| 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 | 40.2 | Very low | 52.3 | Low | 71 Ų | 71 | 65.8 Ų | 65.8 | 35% | 0.35 | 37% | 0.37 | S | S | . | . | 0 | 124.1 | 0 | -80.4 | 175.5 | 176.6 | 0 | 0 | 107.1 | L3 Y6 P188 E462 | M1-L3 VanDerWaalsContact C-N 3.26Å; M1-L3 PolarHBondContact O-N 2.72Å; M1-Y6 HydrophobicContact SD-CE2 4.23Å; M1-Y6 PolarHBondContact SD-OH 2.97Å; M1-Y6 VanDerWaalsContact SD-OH 3.41Å; M1-P188 HydrophobicContact CE-CG 4Å; M1-P188 HydrophobicContact CG-CG 4.24Å; M1-P188 HydrophobicContact SD-CG 4.16Å; M1-E462 WeakPolarHBondContact CA-OE1 3.36Å | |||
| 2 | D | 40.8 | Very low | 53.9 | Low | 69 Ų | 69 | 64.4 Ų | 64.4 | 37% | 0.369 | 36% | 0.359 | S | S | . | . | trans | -75.1 | 85.3 | 171.6 | -175.9 | 4.4 | 0 | 0 | 0 | 108.5 | N4 A5 E462 | D2-N4 PolarHBondContact O-N 2.67Å; D2-N4 PolarHBondContact OD1-ND2 3.31Å; D2-A5 PolarHBondContact O-N 3.18Å; D2-E462 PolarHBondContact N-OE1 2.94Å | ||
| 3 | L | 44.8 | Very low | 55.1 | Low | 48 Ų | 48 | 61 Ų | 61 | 25% | 0.251 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -59.5 | -7.8 | -169.4 | -107.9 | 128.4 | 0 | 0 | 0 | 115.2 | M1 A5 Y6 Y17 | M1-L3 VanDerWaalsContact C-N 3.26Å; M1-L3 PolarHBondContact O-N 2.72Å; L3-A5 PolarHBondContact O-N 3.22Å; L3-Y6 HydrophobicContact CD2-CD2 4.26Å; L3-Y6 HydrophobicContact CG-CD2 4.24Å; L3-Y6 PolarHBondContact O-N 3.05Å; L3-Y17 HydrophobicContact CD1-CE1 3.67Å; L3-Y17 HydrophobicContact CD1-CE2 4.13Å; L3-Y17 VanDerWaalsContact CD1-CZ 3.43Å; L3-Y17 VanDerWaalsContact CD1-OH 3.27Å; L3-Y17 WeakPolarHBondContact CD1-OH 3.29Å; L3-Y17 HydrophobicContact CD2-CD1 3.37Å; L3-Y17 HydrophobicContact CD2-CD2 4.09Å; L3-Y17 HydrophobicContact CD2-CE1 3.35Å; L3-Y17 HydrophobicContact CD2-CE2 4.07Å; L3-Y17 HydrophobicContact CD2-CG 3.77Å; L3-Y17 HydrophobicContact CG-CE1 4.13Å |
| 4 | N | 46.7 | Very low | 56.4 | Low | 108 Ų | 108 | 59.4 Ų | 59.4 | 58% | 0.578 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -62 | -26.3 | 167.6 | -63.8 | -63.5 | 0 | 0 | 0 | 113.1 | D2 Y6 K7 | D2-N4 PolarHBondContact O-N 2.67Å; D2-N4 PolarHBondContact OD1-ND2 3.31Å; N4-Y6 PolarHBondContact O-N 3.42Å; N4-K7 PolarHBondContact O-N 3.36Å |
| 5 | A | 47.7 | Very low | 57.8 | Low | 22 Ų | 22 | 59.2 Ų | 59.2 | 18% | 0.182 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -60.8 | -30.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | D2 L3 P458 | D2-A5 PolarHBondContact O-N 3.18Å; L3-A5 PolarHBondContact O-N 3.22Å; A5-P458 HydrophobicContact CB-CB 4.36Å; A5-P458 WeakPolarHBondContact O-CB 2.91Å |
| 6 | Y | 51.3 | Low | 58.8 | Low | 33 Ų | 33 | 56 Ų | 56 | 13% | 0.129 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -75 | -28.7 | -177.7 | -72.8 | -97.8 | 0 | 0 | 0 | 113.6 | M1 L3 N4 G8 W9 H280 | M1-Y6 HydrophobicContact SD-CE2 4.23Å; M1-Y6 PolarHBondContact SD-OH 2.97Å; M1-Y6 VanDerWaalsContact SD-OH 3.41Å; L3-Y6 HydrophobicContact CD2-CD2 4.26Å; L3-Y6 HydrophobicContact CG-CD2 4.24Å; L3-Y6 PolarHBondContact O-N 3.05Å; N4-Y6 PolarHBondContact O-N 3.42Å; Y6-G8 PolarHBondContact O-N 3.31Å; Y6-G8 VanDerWaalsContact O-N 3.14Å; Y6-W9 PolarHBondContact O-N 3.46Å; Y6-H280 AromaticContact CE1-CD2 3.83Å; Y6-H280 AromaticContact CE1-NE2 3.5Å |
| 7 | K | 53.2 | Low | 59.6 | Low | 138 Ų | 138 | 56 Ų | 56 | 60% | 0.6 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -58.5 | -28 | -179.7 | -89.9 | -179.5 | 174.7 | 169 | 0 | 113.4 | N4 W9 | N4-K7 PolarHBondContact O-N 3.36Å; K7-W9 VanDerWaalsContact C-N 3.35Å |
| 8 | G | 53.8 | Low | 60.5 | Low | 67 Ų | 67 | 56.7 Ų | 56.7 | 69% | 0.691 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -82.4 | -3.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y6 | Y6-G8 PolarHBondContact O-N 3.31Å; Y6-G8 VanDerWaalsContact O-N 3.14Å |
| 9 | W | 59.4 | Low | 61.4 | Low | 78 Ų | 78 | 56.5 Ų | 56.5 | 30% | 0.295 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -136.8 | -36.1 | -159.7 | -139.4 | 78.9 | 0 | 0 | 0 | 117 | Y6 K7 E376 R379 V380 T457 P458 | Y6-W9 PolarHBondContact O-N 3.46Å; K7-W9 VanDerWaalsContact C-N 3.35Å; W9-E376 HydrophobicContact CE3-CB 4.42Å; W9-E376 WeakPolarHBondContact CH2-O 3.33Å; W9-E376 HydrophobicContact CZ3-CB 4.08Å; W9-E376 WeakPolarHBondContact CZ3-O 3.41Å; W9-R379 HydrophobicContact CH2-CB 3.55Å; W9-R379 HydrophobicContact CZ2-CB 4.29Å; W9-R379 HydrophobicContact CZ3-CB 4.44Å; W9-V380 HydrophobicContact CE3-CG2 4.02Å; W9-V380 HydrophobicContact CH2-CG2 3.38Å; W9-V380 HydrophobicContact CZ2-CG2 4.3Å; W9-V380 HydrophobicContact CZ3-CG2 3.26Å; W9-T457 HydrophobicContact CZ2-CG2 3.96Å; W9-P458 HydrophobicContact CB-CG 4.2Å; W9-P458 VanDerWaalsContact CD1-CG 3.45Å; W9-P458 HydrophobicContact CG-CG 3.95Å |
| 10 | S | 65.5 | Low | 62.2 | Low | 9 Ų | 9 | 53.7 Ų | 53.7 | 6% | 0.063 | 29% | 0.293 | C | S | . | . | trans | -148.2 | 116 | 167.8 | 177.4 | 0 | 0 | 0 | 0 | 111.3 | E12 L13 H14 | S10-E12 VanDerWaalsContact C-N 3.3Å; S10-E12 PolarHBondContact O-N 3.37Å; S10-L13 PolarHBondContact OG-N 3.35Å; S10-H14 WeakPolarHBondContact O-CB 3.49Å; S10-H14 PolarHBondContact O-N 3.18Å | ||
| 11 | S | 72.4 | Confident | 62.9 | Low | 81 Ų | 81 | 54.5 Ų | 54.5 | 57% | 0.566 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -68.1 | -33.4 | -178.9 | 80.1 | 0 | 0 | 0 | 0 | 111.9 | S15 | S11-S15 VanDerWaalsContact O-CB 3.24Å; S11-S15 WeakPolarHBondContact O-CB 3.36Å; S11-S15 PolarHBondContact O-N 3.03Å |
| 12 | E | 71.4 | Confident | 64.8 | Low | 49 Ų | 49 | 57.4 Ų | 57.4 | 23% | 0.229 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -74 | -41.5 | -178.9 | -69.7 | 78.2 | 177 | 0 | 0 | 111.5 | S10 S15 T16 Q369 A373 | S10-E12 VanDerWaalsContact C-N 3.3Å; S10-E12 PolarHBondContact O-N 3.37Å; E12-S15 PolarHBondContact O-N 3.38Å; E12-T16 WeakPolarHBondContact O-CB 3.24Å; E12-T16 PolarHBondContact O-N 3.02Å; E12-T16 PolarHBondContact O-OG1 3.31Å; E12-Q369 HydrophobicContact CG-CB 4.38Å; E12-A373 HydrophobicContact CB-CB 3.88Å |
| 13 | L | 69 | Low | 66.6 | Low | 20 Ų | 20 | 56.1 Ų | 56.1 | 11% | 0.105 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.9 | -43.2 | 173.1 | -122.1 | 179.7 | 0 | 0 | 0 | 110.5 | S10 T16 Y17 C377 | S10-L13 PolarHBondContact OG-N 3.35Å; L13-T16 PolarHBondContact O-N 2.82Å; L13-Y17 WeakPolarHBondContact O-CB 3.34Å; L13-Y17 PolarHBondContact O-N 3.42Å; L13-C377 WeakPolarHBondContact CD1-SG 3.4Å |
| 14 | H | 73.7 | Confident | 68.2 | Low | 39 Ų | 39 | 56.8 Ų | 56.8 | 18% | 0.181 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.7 | -42.7 | 175.1 | -176 | 52.9 | 0 | 0 | 0 | 112 | S10 T16 Y17 N18 | S10-H14 WeakPolarHBondContact O-CB 3.49Å; S10-H14 PolarHBondContact O-N 3.18Å; H14-T16 VanDerWaalsContact C-N 3.33Å; H14-T16 PolarHBondContact O-N 3.16Å; H14-Y17 PolarHBondContact O-N 3.32Å; H14-N18 PolarHBondContact CE1-ND2 3.34Å; H14-N18 PolarHBondContact CE1-OD1 3.15Å; H14-N18 VanDerWaalsContact CE1-OD1 3.31Å; H14-N18 PolarHBondContact NE2-ND2 3.24Å; H14-N18 VanDerWaalsContact NE2-ND2 3.16Å; H14-N18 WeakPolarHBondContact O-CB 3.24Å; H14-N18 PolarHBondContact O-N 3.03Å; H14-N18 PolarHBondContact O-ND2 2.87Å |
| 15 | S | 77.3 | Confident | 70 | Confident | 56 Ų | 56 | 52 Ų | 52 | 39% | 0.392 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.7 | -42.5 | 172.6 | 176.5 | 0 | 0 | 0 | 0 | 112 | S11 E12 N18 Q19 | S11-S15 VanDerWaalsContact O-CB 3.24Å; S11-S15 WeakPolarHBondContact O-CB 3.36Å; S11-S15 PolarHBondContact O-N 3.03Å; E12-S15 PolarHBondContact O-N 3.38Å; S15-N18 PolarHBondContact O-N 3.29Å; S15-Q19 WeakPolarHBondContact O-CG 3.48Å; S15-Q19 PolarHBondContact O-N 3.26Å |
| 16 | T | 73.7 | Confident | 71.7 | Confident | 8 Ų | 8 | 53.7 Ų | 53.7 | 5% | 0.049 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67 | -38.6 | 177.4 | -52.5 | 0 | 0 | 0 | 0 | 111.7 | E12 L13 H14 Q19 L20 F180 R273 I277 | E12-T16 WeakPolarHBondContact O-CB 3.24Å; E12-T16 PolarHBondContact O-N 3.02Å; E12-T16 PolarHBondContact O-OG1 3.31Å; L13-T16 PolarHBondContact O-N 2.82Å; H14-T16 VanDerWaalsContact C-N 3.33Å; H14-T16 PolarHBondContact O-N 3.16Å; T16-Q19 PolarHBondContact O-N 3.17Å; T16-L20 PolarHBondContact O-N 2.84Å; T16-F180 HydrophobicContact CG2-CE1 4.29Å; T16-F180 HydrophobicContact CG2-CZ 4.31Å; T16-R273 HydrophobicContact CG2-CB 3.87Å; T16-R273 HydrophobicContact CG2-CG 3.97Å; T16-R273 PolarHBondContact OG1-NH1 3.23Å; T16-I277 HydrophobicContact CG2-CD1 3.92Å; T16-I277 HydrophobicContact CG2-CG1 4.33Å |
| 17 | Y | 72.1 | Confident | 73.2 | Confident | 56 Ų | 56 | 52.2 Ų | 52.2 | 22% | 0.22 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.8 | -40.5 | 174.3 | -173 | -85 | 0 | 0 | 0 | 112.1 | L3 L13 H14 Q19 L20 L21 L187 | L3-Y17 HydrophobicContact CD1-CE1 3.67Å; L3-Y17 HydrophobicContact CD1-CE2 4.13Å; L3-Y17 VanDerWaalsContact CD1-CZ 3.43Å; L3-Y17 VanDerWaalsContact CD1-OH 3.27Å; L3-Y17 WeakPolarHBondContact CD1-OH 3.29Å; L3-Y17 HydrophobicContact CD2-CD1 3.37Å; L3-Y17 HydrophobicContact CD2-CD2 4.09Å; L3-Y17 HydrophobicContact CD2-CE1 3.35Å; L3-Y17 HydrophobicContact CD2-CE2 4.07Å; L3-Y17 HydrophobicContact CD2-CG 3.77Å; L3-Y17 HydrophobicContact CG-CE1 4.13Å; L13-Y17 WeakPolarHBondContact O-CB 3.34Å; L13-Y17 PolarHBondContact O-N 3.42Å; H14-Y17 PolarHBondContact O-N 3.32Å; Y17-Q19 VanDerWaalsContact C-N 3.27Å; Y17-Q19 PolarHBondContact O-N 3.14Å; Y17-L20 HydrophobicContact CE2-CD2 4.27Å; Y17-L20 WeakPolarHBondContact O-CA 3.44Å; Y17-L20 WeakPolarHBondContact O-CB 3.41Å; Y17-L20 PolarHBondContact O-N 2.8Å; Y17-L21 HydrophobicContact CD1-CD1 4.17Å; Y17-L21 HydrophobicContact CD1-CG 4.19Å; Y17-L21 HydrophobicContact CE1-CD1 3.85Å; Y17-L21 HydrophobicContact CE1-CD2 3.88Å; Y17-L21 HydrophobicContact CE1-CG 3.74Å; Y17-L21 PolarHBondContact O-N 3.22Å; Y17-L187 HydrophobicContact CE2-CD2 4.37Å |
| 18 | N | 76.7 | Confident | 74.4 | Confident | 68 Ų | 68 | 49.3 Ų | 49.3 | 36% | 0.364 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.1 | -35.1 | 175.1 | -66.4 | -19.7 | 0 | 0 | 0 | 111.5 | H14 S15 L20 | H14-N18 PolarHBondContact CE1-ND2 3.34Å; H14-N18 PolarHBondContact CE1-OD1 3.15Å; H14-N18 VanDerWaalsContact CE1-OD1 3.31Å; H14-N18 PolarHBondContact NE2-ND2 3.24Å; H14-N18 VanDerWaalsContact NE2-ND2 3.16Å; H14-N18 WeakPolarHBondContact O-CB 3.24Å; H14-N18 PolarHBondContact O-N 3.03Å; H14-N18 PolarHBondContact O-ND2 2.87Å; S15-N18 PolarHBondContact O-N 3.29Å; N18-L20 VanDerWaalsContact C-N 3.33Å |
| 19 | Q | 77.3 | Confident | 75.6 | Confident | 53 Ų | 53 | 53.5 Ų | 53.5 | 25% | 0.248 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.5 | -29.7 | 168.7 | -70 | -176.1 | 17.9 | 0 | 0 | 112.9 | S15 T16 Y17 E22 Y23 K176 F180 | S15-Q19 WeakPolarHBondContact O-CG 3.48Å; S15-Q19 PolarHBondContact O-N 3.26Å; T16-Q19 PolarHBondContact O-N 3.17Å; Y17-Q19 VanDerWaalsContact C-N 3.27Å; Y17-Q19 PolarHBondContact O-N 3.14Å; Q19-E22 WeakPolarHBondContact O-CB 3.46Å; Q19-E22 PolarHBondContact O-N 3Å; Q19-Y23 WeakPolarHBondContact O-CD2 3.23Å; Q19-Y23 WeakPolarHBondContact O-CE2 3.27Å; Q19-K176 VanDerWaalsContact OE1-NZ 3.16Å; Q19-F180 HydrophobicContact CB-CE1 4.23Å |
| 20 | L | 77.1 | Confident | 76.6 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.2 | -37.9 | 176.2 | -178.5 | 135.5 | 0 | 0 | 0 | 112.2 | T16 Y17 N18 E22 Y23 F180 T183 Y184 L187 I277 | T16-L20 PolarHBondContact O-N 2.84Å; Y17-L20 HydrophobicContact CE2-CD2 4.27Å; Y17-L20 WeakPolarHBondContact O-CA 3.44Å; Y17-L20 WeakPolarHBondContact O-CB 3.41Å; Y17-L20 PolarHBondContact O-N 2.8Å; N18-L20 VanDerWaalsContact C-N 3.33Å; L20-E22 PolarHBondContact O-N 2.93Å; L20-E22 VanDerWaalsContact O-N 3.15Å; L20-Y23 PolarHBondContact O-N 3.12Å; L20-F180 HydrophobicContact CB-CD1 4.14Å; L20-T183 VanDerWaalsContact CD1-OG1 3.25Å; L20-T183 WeakPolarHBondContact CD1-OG1 3.45Å; L20-Y184 HydrophobicContact CD2-CE1 4.15Å; L20-Y184 HydrophobicContact CD2-CE2 3.81Å; L20-Y184 HydrophobicContact CG-CE2 3.99Å; L20-Y184 PolarHBondContact O-OH 3.41Å; L20-L187 HydrophobicContact CD1-CD1 4.43Å; L20-L187 HydrophobicContact CD2-CD1 3.58Å; L20-I277 HydrophobicContact CD1-CD1 4.09Å |
| 21 | L | 76.1 | Confident | 77.3 | Confident | 71 Ų | 71 | 56.7 Ų | 56.7 | 37% | 0.372 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -56.7 | -26.4 | 173 | -68.7 | 171.2 | 0 | 0 | 0 | 113.3 | Y17 Y23 E24 | Y17-L21 HydrophobicContact CD1-CD1 4.17Å; Y17-L21 HydrophobicContact CD1-CG 4.19Å; Y17-L21 HydrophobicContact CE1-CD1 3.85Å; Y17-L21 HydrophobicContact CE1-CD2 3.88Å; Y17-L21 HydrophobicContact CE1-CG 3.74Å; Y17-L21 PolarHBondContact O-N 3.22Å; L21-Y23 PolarHBondContact O-N 2.64Å; L21-E24 WeakPolarHBondContact O-CB 3.48Å; L21-E24 PolarHBondContact O-N 3.2Å |
| 22 | E | 80.4 | Confident | 77.5 | Confident | 132 Ų | 132 | 56.4 Ų | 56.4 | 62% | 0.617 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -17.9 | 174.8 | -56.4 | 177 | 163.8 | 0 | 0 | 113.3 | Q19 L20 | Q19-E22 WeakPolarHBondContact O-CB 3.46Å; Q19-E22 PolarHBondContact O-N 3Å; L20-E22 PolarHBondContact O-N 2.93Å; L20-E22 VanDerWaalsContact O-N 3.15Å |
| 23 | Y | 79 | Confident | 77.8 | Confident | 41 Ų | 41 | 62.1 Ų | 62.1 | 16% | 0.161 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 11 | -179.6 | -55.3 | -77.9 | 0 | 0 | 0 | 113 | Q19 L20 L21 K176 S177 F180 | Q19-Y23 WeakPolarHBondContact O-CD2 3.23Å; Q19-Y23 WeakPolarHBondContact O-CE2 3.27Å; L20-Y23 PolarHBondContact O-N 3.12Å; L21-Y23 PolarHBondContact O-N 2.64Å; Y23-K176 VanDerWaalsContact OH-CD 3.3Å; Y23-K176 WeakPolarHBondContact OH-CD 3.36Å; Y23-K176 VanDerWaalsContact OH-CE 3.24Å; Y23-K176 WeakPolarHBondContact OH-CE 3.28Å; Y23-K176 PolarHBondContact OH-NZ 2.9Å; Y23-S177 VanDerWaalsContact CE1-OG 3.32Å; Y23-S177 WeakPolarHBondContact CE1-OG 3.46Å; Y23-F180 HydrophobicContact CD2-CB 3.56Å; Y23-F180 AromaticContact CD2-CD1 3.84Å; Y23-F180 HydrophobicContact CD2-CD1 3.84Å; Y23-F180 HydrophobicContact CD2-CG 4.02Å; Y23-F180 HydrophobicContact CE2-CB 4.04Å; Y23-F180 AromaticContact CE2-CD1 3.83Å; Y23-F180 HydrophobicContact CE2-CD1 3.83Å; Y23-F180 HydrophobicContact CE2-CG 4.08Å; Y23-F180 HydrophobicContact CG-CB 3.94Å |
| 24 | E | 78.6 | Confident | 78.4 | Confident | 63 Ų | 63 | 63.9 Ų | 63.9 | 29% | 0.294 | 32% | 0.322 | S | S | . | . | trans | -61.2 | 146.1 | 176.2 | -165 | 161.6 | -177.9 | 0 | 0 | 111.3 | L21 F26 R28 H117 Y184 | L21-E24 WeakPolarHBondContact O-CB 3.48Å; L21-E24 PolarHBondContact O-N 3.2Å; E24-F26 PolarHBondContact O-N 3.19Å; E24-R28 WeakPolarHBondContact OE1-CD 3.47Å; E24-R28 IonicContact OE1-CZ 3.85Å; E24-R28 IonicContact OE1-NE 3.76Å; E24-R28 IonicContact OE1-NH1 2.67Å; E24-R28 PolarHBondContact OE1-NH1 3.22Å; E24-H117 PolarHBondContact O-ND1 2.92Å; E24-Y184 WeakPolarHBondContact CA-OH 3.34Å; E24-Y184 WeakPolarHBondContact CB-OH 3.43Å; E24-Y184 HydrophobicContact CG-CE1 4.31Å; E24-Y184 PolarHBondContact N-OH 3.22Å | ||
| 25 | S | 83.4 | Confident | 78.8 | Confident | 7 Ų | 7 | 62 Ų | 62 | 5% | 0.049 | 31% | 0.314 | C | S | . | . | trans | -73.3 | 124.2 | 177.9 | -174 | 0 | 0 | 0 | 0 | 111.1 | L27 R28 H117 | S25-L27 PolarHBondContact O-N 3.04Å; S25-L27 WeakPolarHBondContact OG-CB 3.32Å; S25-L27 PolarHBondContact OG-N 3.44Å; S25-R28 WeakPolarHBondContact O-CB 3.3Å; S25-R28 PolarHBondContact O-N 3.31Å; S25-H117 VanDerWaalsContact CB-O 3.3Å; S25-H117 WeakPolarHBondContact CB-O 3.5Å; S25-H117 PolarHBondContact OG-O 2.9Å | ||
| 26 | F | 85.2 | Confident | 79.1 | Confident | 58 Ų | 58 | 61 Ų | 61 | 25% | 0.254 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -57.2 | -19.7 | 171.5 | 83.3 | -91.5 | 0 | 0 | 0 | 112.4 | E24 R28 L29 F30 W114 H117 | E24-F26 PolarHBondContact O-N 3.19Å; F26-R28 PolarHBondContact O-N 3.17Å; F26-L29 VanDerWaalsContact O-CB 3.29Å; F26-L29 WeakPolarHBondContact O-CB 3.49Å; F26-L29 PolarHBondContact O-N 3.24Å; F26-F30 HydrophobicContact CD2-CD2 4.4Å; F26-F30 AromaticContact CD2-CE2 3.74Å; F26-F30 HydrophobicContact CD2-CE2 3.74Å; F26-F30 HydrophobicContact CE2-CD2 4.43Å; F26-F30 AromaticContact CE2-CE2 3.67Å; F26-F30 HydrophobicContact CE2-CE2 3.67Å; F26-F30 HydrophobicContact CE2-CZ 4.33Å; F26-W114 AromaticContact CE1-CD1 3.96Å; F26-W114 HydrophobicContact CE1-CG 4.47Å; F26-W114 AromaticContact CE1-NE1 3.95Å; F26-W114 AromaticContact CZ-CD1 3.92Å; F26-W114 AromaticContact CZ-CE2 3.91Å; F26-W114 HydrophobicContact CZ-CZ2 4.37Å; F26-W114 AromaticContact CZ-NE1 3.43Å; F26-H117 HydrophobicContact CD1-CB 3.5Å; F26-H117 VanDerWaalsContact CD1-CB 3.5Å; F26-H117 AromaticContact CD1-CD2 3.65Å; F26-H117 AromaticContact CD1-CG 3.53Å; F26-H117 HydrophobicContact CE1-CB 3.59Å |
| 27 | L | 82.1 | Confident | 79.5 | Confident | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -63.3 | -20.9 | 174.5 | -65.8 | 176.6 | 0 | 0 | 0 | 113.1 | S25 L29 F30 A35 I38 A39 A118 Y121 | S25-L27 PolarHBondContact O-N 3.04Å; S25-L27 WeakPolarHBondContact OG-CB 3.32Å; S25-L27 PolarHBondContact OG-N 3.44Å; L27-L29 PolarHBondContact O-N 3.32Å; L27-F30 HydrophobicContact CD2-CD2 4.4Å; L27-F30 WeakPolarHBondContact O-CB 3.45Å; L27-F30 PolarHBondContact O-N 2.97Å; L27-A35 HydrophobicContact CB-CB 4.25Å; L27-A35 WeakPolarHBondContact O-CB 3.3Å; L27-I38 HydrophobicContact CD1-CG2 4.15Å; L27-I38 HydrophobicContact CD2-CB 4.43Å; L27-I38 HydrophobicContact CD2-CD1 4.33Å; L27-I38 HydrophobicContact CD2-CG2 3.9Å; L27-A39 HydrophobicContact CD1-CB 4.36Å; L27-A118 HydrophobicContact CD1-CB 4.18Å; L27-Y121 HydrophobicContact CB-CD2 3.67Å; L27-Y121 HydrophobicContact CB-CE2 4.33Å; L27-Y121 HydrophobicContact CB-CG 3.93Å; L27-Y121 HydrophobicContact CD1-CG 4.26Å |
| 28 | R | 77.4 | Confident | 80.1 | Confident | 78 Ų | 78 | 63.3 Ų | 63.3 | 29% | 0.294 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -64.7 | -15 | 170.2 | -83.1 | -177 | 160.4 | -169.3 | -10 | 113.9 | E24 S25 F26 F30 Y121 D190 | E24-R28 WeakPolarHBondContact OE1-CD 3.47Å; E24-R28 IonicContact OE1-CZ 3.85Å; E24-R28 IonicContact OE1-NE 3.76Å; E24-R28 IonicContact OE1-NH1 2.67Å; E24-R28 PolarHBondContact OE1-NH1 3.22Å; S25-R28 WeakPolarHBondContact O-CB 3.3Å; S25-R28 PolarHBondContact O-N 3.31Å; F26-R28 PolarHBondContact O-N 3.17Å; R28-F30 VanDerWaalsContact C-N 3.28Å; R28-Y121 HydrophobicContact CG-CD2 4Å; R28-Y121 HydrophobicContact CG-CE2 3.95Å; R28-D190 PolarHBondContact NH2-O 3.04Å |
| 29 | L | 80.4 | Confident | 80.5 | Confident | 154 Ų | 154 | 60.1 Ų | 60.1 | 81% | 0.806 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -81.1 | -8.3 | 172.7 | -57.2 | 172.9 | 0 | 0 | 0 | 112.8 | F26 L27 | F26-L29 VanDerWaalsContact O-CB 3.29Å; F26-L29 WeakPolarHBondContact O-CB 3.49Å; F26-L29 PolarHBondContact O-N 3.24Å; L27-L29 PolarHBondContact O-N 3.32Å |
| 30 | F | 80.5 | Confident | 80.8 | Confident | 66 Ų | 66 | 59.7 Ų | 59.7 | 29% | 0.289 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -97.2 | 157.3 | 177.6 | -71.4 | -103.5 | 0 | 0 | 0 | 111 | F26 L27 R28 V32 V34 A35 L83 | F26-F30 HydrophobicContact CD2-CD2 4.4Å; F26-F30 AromaticContact CD2-CE2 3.74Å; F26-F30 HydrophobicContact CD2-CE2 3.74Å; F26-F30 HydrophobicContact CE2-CD2 4.43Å; F26-F30 AromaticContact CE2-CE2 3.67Å; F26-F30 HydrophobicContact CE2-CE2 3.67Å; F26-F30 HydrophobicContact CE2-CZ 4.33Å; L27-F30 HydrophobicContact CD2-CD2 4.4Å; L27-F30 WeakPolarHBondContact O-CB 3.45Å; L27-F30 PolarHBondContact O-N 2.97Å; R28-F30 VanDerWaalsContact C-N 3.28Å; F30-V32 PolarHBondContact O-N 3.37Å; F30-V34 HydrophobicContact CD1-CG1 4.29Å; F30-A35 HydrophobicContact CB-CB 4.21Å; F30-L83 HydrophobicContact CE1-CD2 3.97Å |
| 31 | P | 79.7 | Confident | 81.1 | Confident | 89 Ų | 89 | 63 Ų | 63 | 58% | 0.578 | 33% | 0.333 | S | S | * | . | trans | -54 | 138.1 | 170.1 | -24.6 | 34.5 | 0 | 0 | 0 | 111.4 | E33 V34 A35 | P31-E33 VanDerWaalsContact C-N 3.27Å; P31-E33 PolarHBondContact O-N 3.31Å; P31-E33 VanDerWaalsContact O-N 3.14Å; P31-V34 HydrophobicContact CB-CG2 4.29Å; P31-V34 WeakPolarHBondContact O-CB 3.27Å; P31-V34 PolarHBondContact O-N 3.48Å; P31-A35 PolarHBondContact O-N 2.7Å | ||
| 32 | V | 77.1 | Confident | 81.5 | Confident | 75 Ų | 75 | 60.1 Ų | 60.1 | 46% | 0.455 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -52.5 | -41.8 | -171 | 176.4 | 0 | 0 | 0 | 0 | 112.6 | F30 A35 N36 | F30-V32 PolarHBondContact O-N 3.37Å; V32-A35 PolarHBondContact O-N 3Å; V32-N36 WeakPolarHBondContact O-CB 3.42Å; V32-N36 PolarHBondContact O-N 3.3Å; V32-N36 PolarHBondContact O-ND2 3.28Å; V32-N36 PolarHBondContact O-OD1 3.43Å |
| 33 | E | 76.4 | Confident | 81.7 | Confident | 168 Ų | 168 | 53.9 Ų | 53.9 | 79% | 0.785 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -62.4 | -43.8 | 177.9 | -62.4 | 176.2 | 176.2 | 0 | 0 | 112.8 | P31 S37 | P31-E33 VanDerWaalsContact C-N 3.27Å; P31-E33 PolarHBondContact O-N 3.31Å; P31-E33 VanDerWaalsContact O-N 3.14Å; E33-S37 WeakPolarHBondContact O-CB 3.48Å; E33-S37 PolarHBondContact O-N 3.29Å |
| 34 | V | 82.3 | Confident | 81.8 | Confident | 58 Ų | 58 | 55.5 Ų | 55.5 | 35% | 0.352 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -68.1 | -45.7 | 178.8 | 178.3 | 0 | 0 | 0 | 0 | 110.1 | F30 P31 S37 I38 | F30-V34 HydrophobicContact CD1-CG1 4.29Å; P31-V34 HydrophobicContact CB-CG2 4.29Å; P31-V34 WeakPolarHBondContact O-CB 3.27Å; P31-V34 PolarHBondContact O-N 3.48Å; V34-S37 PolarHBondContact O-N 3.16Å; V34-I38 HydrophobicContact CG1-CD1 3.78Å; V34-I38 HydrophobicContact CG1-CG1 4.48Å; V34-I38 VanDerWaalsContact O-CG1 3.29Å; V34-I38 WeakPolarHBondContact O-CG1 3.13Å; V34-I38 PolarHBondContact O-N 3.06Å |
| 35 | A | 82.7 | Confident | 81.9 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.8 | -43.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | L27 F30 P31 V32 S37 I38 A39 Y121 | L27-A35 HydrophobicContact CB-CB 4.25Å; L27-A35 WeakPolarHBondContact O-CB 3.3Å; F30-A35 HydrophobicContact CB-CB 4.21Å; P31-A35 PolarHBondContact O-N 2.7Å; V32-A35 PolarHBondContact O-N 3Å; A35-S37 PolarHBondContact O-N 3.48Å; A35-I38 PolarHBondContact O-N 3.08Å; A35-A39 VanDerWaalsContact O-CB 3.23Å; A35-A39 WeakPolarHBondContact O-CB 3.12Å; A35-A39 PolarHBondContact O-N 3.46Å; A35-Y121 HydrophobicContact CB-CD2 4.42Å; A35-Y121 HydrophobicContact CB-CE1 3.89Å; A35-Y121 HydrophobicContact CB-CE2 3.68Å; A35-Y121 WeakPolarHBondContact CB-OH 3.5Å |
| 36 | N | 82.6 | Confident | 81.6 | Confident | 34 Ų | 34 | 55.3 Ų | 55.3 | 18% | 0.182 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.2 | -44.2 | 174.3 | -73.3 | -4 | 0 | 0 | 0 | 111.7 | V32 T40 Y121 M125 | V32-N36 WeakPolarHBondContact O-CB 3.42Å; V32-N36 PolarHBondContact O-N 3.3Å; V32-N36 PolarHBondContact O-ND2 3.28Å; V32-N36 PolarHBondContact O-OD1 3.43Å; N36-T40 VanDerWaalsContact O-CB 3.27Å; N36-T40 WeakPolarHBondContact O-CB 3.48Å; N36-T40 PolarHBondContact O-N 3.36Å; N36-T40 PolarHBondContact O-OG1 3.39Å; N36-Y121 VanDerWaalsContact OD1-CE1 3.23Å; N36-Y121 WeakPolarHBondContact OD1-CE1 3.38Å; N36-Y121 PolarHBondContact OD1-OH 3.49Å; N36-M125 HydrophobicContact CB-CE 3.77Å |
| 37 | S | 82 | Confident | 80.9 | Confident | 81 Ų | 81 | 57 Ų | 57 | 57% | 0.566 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -64.4 | -48 | 178.4 | -175.8 | 0 | 0 | 0 | 0 | 112.1 | E33 V34 A35 A39 S41 | E33-S37 WeakPolarHBondContact O-CB 3.48Å; E33-S37 PolarHBondContact O-N 3.29Å; V34-S37 PolarHBondContact O-N 3.16Å; A35-S37 PolarHBondContact O-N 3.48Å; S37-A39 PolarHBondContact O-N 2.79Å; S37-S41 VanDerWaalsContact O-CB 3.32Å; S37-S41 WeakPolarHBondContact O-CB 3.34Å; S37-S41 PolarHBondContact O-N 3.14Å |
| 38 | I | 84.5 | Confident | 80.4 | Confident | 32 Ų | 32 | 57.7 Ų | 57.7 | 16% | 0.164 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.6 | -47.4 | 177.1 | -68.5 | 168.5 | 0 | 0 | 0 | 110.8 | L27 V34 A35 T42 W114 | L27-I38 HydrophobicContact CD1-CG2 4.15Å; L27-I38 HydrophobicContact CD2-CB 4.43Å; L27-I38 HydrophobicContact CD2-CD1 4.33Å; L27-I38 HydrophobicContact CD2-CG2 3.9Å; V34-I38 HydrophobicContact CG1-CD1 3.78Å; V34-I38 HydrophobicContact CG1-CG1 4.48Å; V34-I38 VanDerWaalsContact O-CG1 3.29Å; V34-I38 WeakPolarHBondContact O-CG1 3.13Å; V34-I38 PolarHBondContact O-N 3.06Å; A35-I38 PolarHBondContact O-N 3.08Å; I38-T42 VanDerWaalsContact O-CB 3.26Å; I38-T42 WeakPolarHBondContact O-CB 3.34Å; I38-T42 PolarHBondContact O-N 2.89Å; I38-T42 PolarHBondContact O-OG1 3.23Å; I38-W114 HydrophobicContact CG2-CH2 3.72Å; I38-W114 HydrophobicContact CG2-CZ2 4.25Å |
| 39 | A | 85.3 | Confident | 79.9 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.4 | -49.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L27 A35 S37 S41 T42 V43 Y121 M125 | L27-A39 HydrophobicContact CD1-CB 4.36Å; A35-A39 VanDerWaalsContact O-CB 3.23Å; A35-A39 WeakPolarHBondContact O-CB 3.12Å; A35-A39 PolarHBondContact O-N 3.46Å; S37-A39 PolarHBondContact O-N 2.79Å; A39-S41 PolarHBondContact O-N 3.33Å; A39-T42 PolarHBondContact O-N 3.06Å; A39-V43 VanDerWaalsContact O-CB 3.24Å; A39-V43 WeakPolarHBondContact O-CB 3.46Å; A39-V43 VanDerWaalsContact O-CG2 3.24Å; A39-V43 WeakPolarHBondContact O-CG2 3.29Å; A39-V43 PolarHBondContact O-N 3.03Å; A39-Y121 HydrophobicContact CB-CD1 3.49Å; A39-Y121 VanDerWaalsContact CB-CD1 3.49Å; A39-Y121 HydrophobicContact CB-CE1 4.22Å; A39-Y121 HydrophobicContact CB-CG 4.33Å; A39-M125 HydrophobicContact CB-SD 4.25Å |
| 40 | T | 84.1 | Confident | 79.4 | Confident | 44 Ų | 44 | 54 Ų | 54 | 27% | 0.27 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -57.8 | -48.9 | 177.9 | -63.2 | 0 | 0 | 0 | 0 | 111.7 | N36 T42 M44 M125 V132 | N36-T40 VanDerWaalsContact O-CB 3.27Å; N36-T40 WeakPolarHBondContact O-CB 3.48Å; N36-T40 PolarHBondContact O-N 3.36Å; N36-T40 PolarHBondContact O-OG1 3.39Å; T40-T42 PolarHBondContact O-N 3.29Å; T40-M44 HydrophobicContact CG2-CG 4.43Å; T40-M44 VanDerWaalsContact O-CB 3.32Å; T40-M44 WeakPolarHBondContact O-CB 3.4Å; T40-M44 VanDerWaalsContact O-CG 3.29Å; T40-M44 WeakPolarHBondContact O-CG 3.34Å; T40-M44 PolarHBondContact O-N 3.47Å; T40-M125 WeakPolarHBondContact OG1-CE 3.4Å; T40-V132 HydrophobicContact CG2-CG2 3.87Å |
| 41 | S | 82.7 | Confident | 78.5 | Confident | 71 Ų | 71 | 55 Ų | 55 | 50% | 0.497 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.5 | -45.5 | 179 | -173.9 | 0 | 0 | 0 | 0 | 111.9 | S37 A39 S45 | S37-S41 VanDerWaalsContact O-CB 3.32Å; S37-S41 WeakPolarHBondContact O-CB 3.34Å; S37-S41 PolarHBondContact O-N 3.14Å; A39-S41 PolarHBondContact O-N 3.33Å; S41-S45 WeakPolarHBondContact O-CB 3.49Å; S41-S45 PolarHBondContact O-N 3.25Å |
| 42 | T | 84.9 | Confident | 77.8 | Confident | 11 Ų | 11 | 51.4 Ų | 51.4 | 7% | 0.067 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -68.1 | -51.1 | -178.7 | -53.3 | 0 | 0 | 0 | 0 | 111.4 | I38 A39 T40 M44 S45 W114 V115 A118 | I38-T42 VanDerWaalsContact O-CB 3.26Å; I38-T42 WeakPolarHBondContact O-CB 3.34Å; I38-T42 PolarHBondContact O-N 2.89Å; I38-T42 PolarHBondContact O-OG1 3.23Å; A39-T42 PolarHBondContact O-N 3.06Å; T40-T42 PolarHBondContact O-N 3.29Å; T42-M44 PolarHBondContact O-N 3.4Å; T42-S45 WeakPolarHBondContact O-CB 3.45Å; T42-S45 PolarHBondContact O-N 2.91Å; T42-S45 VanDerWaalsContact O-N 3.16Å; T42-S45 PolarHBondContact O-OG 3.05Å; T42-W114 HydrophobicContact CG2-CZ3 3.96Å; T42-V115 HydrophobicContact CG2-CG1 4.37Å; T42-V115 HydrophobicContact CG2-CG2 4.1Å; T42-A118 HydrophobicContact CG2-CB 3.62Å |
| 43 | V | 84.3 | Confident | 76.9 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.5 | -48 | -178 | 167.4 | 0 | 0 | 0 | 0 | 111.3 | A39 S45 V46 I119 V132 H135 S136 I139 | A39-V43 VanDerWaalsContact O-CB 3.24Å; A39-V43 WeakPolarHBondContact O-CB 3.46Å; A39-V43 VanDerWaalsContact O-CG2 3.24Å; A39-V43 WeakPolarHBondContact O-CG2 3.29Å; A39-V43 PolarHBondContact O-N 3.03Å; V43-S45 PolarHBondContact O-N 2.82Å; V43-V46 PolarHBondContact O-N 3.13Å; V43-V46 VanDerWaalsContact O-N 3.1Å; V43-I119 HydrophobicContact CG2-CB 4.48Å; V43-I119 HydrophobicContact CG2-CG1 4.09Å; V43-V132 HydrophobicContact CB-CG1 4.03Å; V43-V132 HydrophobicContact CG1-CG1 3.88Å; V43-V132 HydrophobicContact CG2-CG1 4.33Å; V43-H135 HydrophobicContact CG1-CB 4.33Å; V43-H135 PolarHBondContact O-CD2 3.32Å; V43-S136 WeakPolarHBondContact CG1-OG 3.4Å; V43-I139 HydrophobicContact CG1-CD1 4.15Å |
| 44 | M | 81.7 | Confident | 75.5 | Confident | 76 Ų | 76 | 48.8 Ų | 48.8 | 37% | 0.374 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -68.5 | -17.9 | -179.9 | -65.3 | -58.1 | -149.6 | 0 | 0 | 113.2 | T40 T42 D131 V132 H135 | T40-M44 HydrophobicContact CG2-CG 4.43Å; T40-M44 VanDerWaalsContact O-CB 3.32Å; T40-M44 WeakPolarHBondContact O-CB 3.4Å; T40-M44 VanDerWaalsContact O-CG 3.29Å; T40-M44 WeakPolarHBondContact O-CG 3.34Å; T40-M44 PolarHBondContact O-N 3.47Å; T42-M44 PolarHBondContact O-N 3.4Å; M44-D131 HydrophobicContact CE-CB 3.87Å; M44-V132 HydrophobicContact CE-CG2 4Å; M44-H135 HydrophobicContact SD-CB 4.44Å |
| 45 | S | 80.1 | Confident | 73.6 | Confident | 58 Ų | 58 | 52.3 Ų | 52.3 | 41% | 0.406 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -77.9 | -17.4 | 173.1 | 82.4 | 0 | 0 | 0 | 0 | 114.1 | S41 T42 V43 | S41-S45 WeakPolarHBondContact O-CB 3.49Å; S41-S45 PolarHBondContact O-N 3.25Å; T42-S45 WeakPolarHBondContact O-CB 3.45Å; T42-S45 PolarHBondContact O-N 2.91Å; T42-S45 VanDerWaalsContact O-N 3.16Å; T42-S45 PolarHBondContact O-OG 3.05Å; V43-S45 PolarHBondContact O-N 2.82Å |
| 46 | V | 77.1 | Confident | 71.6 | Confident | 8 Ų | 8 | 57.9 Ų | 57.9 | 5% | 0.048 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -85.9 | 117.8 | -179.9 | 178.9 | 0 | 0 | 0 | 0 | 109.6 | V43 V115 H135 I139 W143 | V43-V46 PolarHBondContact O-N 3.13Å; V43-V46 VanDerWaalsContact O-N 3.1Å; V46-V115 HydrophobicContact CG2-CG1 4.01Å; V46-H135 PolarHBondContact O-NE2 3.09Å; V46-I139 HydrophobicContact CB-CD1 3.83Å; V46-I139 HydrophobicContact CG1-CD1 3.89Å; V46-I139 HydrophobicContact CG1-CG1 4.05Å; V46-I139 HydrophobicContact CG1-CG2 4Å; V46-W143 HydrophobicContact CG1-CZ2 4.08Å |
| 47 | K | 70.3 | Confident | 69.1 | Low | 92 Ų | 92 | 61.1 Ų | 61.1 | 40% | 0.4 | 37% | 0.368 | S | S | . | . | trans | -75 | 137.9 | 173.5 | -72.4 | -172.4 | -179.9 | 176.9 | 0 | 111 | T101 | K47-T101 PolarHBondContact NZ-OG1 2.94Š| ||
| 48 | C | 72.7 | Confident | 66.6 | Low | 16 Ų | 16 | 61.9 Ų | 61.9 | 11% | 0.108 | 37% | 0.373 | C | S | . | . | trans | -137.2 | 155.4 | 176.9 | 139.1 | 0 | 0 | 0 | 0 | 107.9 | C50 I139 | C48-C50 WeakPolarHBondContact CB-SG 3.27Å; C48-C50 PolarHBondContact O-N 2.7Å; C48-C50 WeakPolarHBondContact SG-CB 2.96Å; C48-C50 CovalentContact SG-SG 2.05Å; C48-C50 PolarHBondContact SG-SG 3.4Å; C48-I139 HydrophobicContact CB-CG1 3.79Å | ||
| 49 | D | 67.1 | Low | 63.9 | Low | 132 Ų | 132 | 64 Ų | 64 | 71% | 0.706 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -79.9 | 61.5 | -177.9 | -147.4 | 9.3 | 0 | 0 | 0 | 110.6 | Y142 | D49-Y142 HydrophobicContact CB-CD2 3.8Å; D49-Y142 HydrophobicContact CB-CE2 3.42Å; D49-Y142 VanDerWaalsContact CB-CE2 3.42Å |
| 50 | C | 69.7 | Low | 61.1 | Low | 22 Ų | 22 | 71.9 Ų | 71.9 | 15% | 0.149 | 45% | 0.445 | C | S | . | . | S | Bend | trans | -150.4 | 141.1 | -166.9 | 54.5 | 0 | 0 | 0 | 0 | 112 | C48 C52 H135 H138 | C48-C50 WeakPolarHBondContact CB-SG 3.27Å; C48-C50 PolarHBondContact O-N 2.7Å; C48-C50 WeakPolarHBondContact SG-CB 2.96Å; C48-C50 CovalentContact SG-SG 2.05Å; C48-C50 PolarHBondContact SG-SG 3.4Å; C50-C52 PolarHBondContact O-N 2.91Å; C50-H135 VanDerWaalsContact SG-CE1 3.54Å; C50-H135 PolarHBondContact SG-ND1 3.48Å; C50-H138 HydrophobicContact CB-CB 4.19Å; C50-H138 VanDerWaalsContact CB-ND1 3.3Å; C50-H138 WeakPolarHBondContact CB-ND1 3.28Å |
| 51 | S | 61.4 | Low | 58.4 | Low | 87 Ų | 87 | 76.3 Ų | 76.3 | 61% | 0.608 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | -71.1 | 5.9 | -178.9 | 48.7 | 0 | 0 | 0 | 0 | 115 | T53 | S51-T53 VanDerWaalsContact C-N 3.34Å; S51-T53 PolarHBondContact O-N 3.21Å |
| 52 | C | 65.6 | Low | 55.8 | Low | 15 Ų | 15 | 79.4 Ų | 79.4 | 10% | 0.101 | 49% | 0.487 | C | S | . | . | G | 310 helix | trans | -69.4 | -25 | -172.9 | -64.4 | 0 | 0 | 0 | 0 | 114.2 | C50 L54 H135 | C50-C52 PolarHBondContact O-N 2.91Å; C52-L54 PolarHBondContact O-N 3.46Å; C52-H135 HydrophobicContact CB-CB 4.19Å |
| 53 | T | 56.6 | Low | 53.2 | Low | 59 Ų | 59 | 84.1 Ų | 84.1 | 36% | 0.362 | 52% | 0.518 | S | S | . | . | G | 310 helix | trans | -88.9 | 7.5 | -176.1 | 50.1 | 0 | 0 | 0 | 0 | 115 | S51 H135 | S51-T53 VanDerWaalsContact C-N 3.34Å; S51-T53 PolarHBondContact O-N 3.21Å; T53-H135 WeakPolarHBondContact CG2-CE1 3.45Å |
| 54 | L | 47.9 | Very low | 50.4 | Low | 128 Ų | 128 | 89 Ų | 89 | 67% | 0.67 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -92.7 | -0.2 | -170.5 | -80.7 | 164.9 | 0 | 0 | 0 | 115.7 | C52 | C52-L54 PolarHBondContact O-N 3.46Š|
| 55 | L | 41.8 | Very low | 47.9 | Very low | 132 Ų | 132 | 92.2 Ų | 92.2 | 69% | 0.691 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -103.6 | -1.4 | -169 | -83.6 | 157 | 0 | 0 | 0 | 116.1 | ||
| 56 | S | 40.4 | Very low | 45.5 | Very low | 118 Ų | 118 | 94.4 Ų | 94.4 | 83% | 0.825 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -100.5 | 20 | 179.4 | 69.5 | 0 | 0 | 0 | 0 | 114.3 | ||
| 57 | S | 31.4 | Very low | 43.1 | Very low | 101 Ų | 101 | 100.5 Ų | 100.5 | 71% | 0.706 | 62% | 0.621 | S | S | * | * | trans | -143.3 | 37.5 | -176.4 | 72.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 58 | S | 28.2 | Very low | 41.3 | Very low | 98 Ų | 98 | 103.1 Ų | 103.1 | 69% | 0.685 | 65% | 0.645 | S | S | * | * | trans | -106.5 | 97.9 | 162.3 | 55 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 59 | G | 28.1 | Very low | 39.1 | Very low | 77 Ų | 77 | 110.5 Ų | 110.5 | 79% | 0.794 | 68% | 0.68 | S | S | * | * | trans | -78.8 | 118 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 60 | D | 28.2 | Very low | 37.5 | Very low | 164 Ų | 164 | 113.3 Ų | 113.3 | 88% | 0.877 | 69% | 0.688 | S | S | * | * | trans | -125.4 | 125.6 | 158.6 | -96 | -45.8 | 0 | 0 | 0 | 109 | ||||
| 61 | V | 27.5 | Very low | 35.4 | Very low | 137 Ų | 137 | 119.7 Ų | 119.7 | 83% | 0.83 | 72% | 0.721 | S | S | * | * | trans | -87.4 | 133.2 | 178.2 | 171.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 62 | V | 27.7 | Very low | 33.9 | Very low | 136 Ų | 136 | 119.4 Ų | 119.4 | 82% | 0.824 | 73% | 0.732 | S | S | * | * | trans | -161.8 | 144.5 | 146.9 | 131.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 63 | P | 30.6 | Very low | 32 | Very low | 111 Ų | 111 | 124.2 Ų | 124.2 | 72% | 0.721 | 77% | 0.765 | S | S | * | * | trans | -98.7 | 157.4 | -149.2 | 37 | -36.4 | 0 | 0 | 0 | 115.1 | ||||
| 64 | A | 25.3 | Very low | 30.7 | Very low | 103 Ų | 103 | 128.5 Ų | 128.5 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | trans | -93.7 | 131.1 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 65 | N | 29.3 | Very low | 29.7 | Very low | 142 Ų | 142 | 126.5 Ų | 126.5 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | trans | -133.6 | 129.8 | 168.5 | -116.3 | 12.5 | 0 | 0 | 0 | 107.8 | ||||
| 66 | T | 28.5 | Very low | 29.1 | Very low | 104 Ų | 104 | 127.8 Ų | 127.8 | 64% | 0.638 | 79% | 0.79 | S | S | * | * | trans | 37.4 | 130.8 | 137.3 | 59.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 67 | D | 26.6 | Very low | 28.3 | Very low | 136 Ų | 136 | 132.3 Ų | 132.3 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | cis | -163.1 | 154.3 | 5.5 | -84.4 | -38.9 | 0 | 0 | 0 | 108.7 | ||||
| 68 | T | 32.8 | Very low | 28.1 | Very low | 148 Ų | 148 | 133.6 Ų | 133.6 | 91% | 0.908 | 80% | 0.798 | S | S | * | * | 172 | 148.8 | 116.7 | 31.7 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 69 | M | 27.3 | Very low | 27.9 | Very low | 171 Ų | 171 | 137.3 Ų | 137.3 | 84% | 0.842 | 81% | 0.805 | S | S | * | * | trans | -94 | 152.3 | -169.4 | -60.6 | 172 | 166.9 | 0 | 0 | 113 | ||||
| 70 | H | 33.8 | Very low | 27.9 | Very low | 191 Ų | 191 | 139.5 Ų | 139.5 | 88% | 0.884 | 81% | 0.808 | S | S | * | * | -158.7 | 144.9 | 117.9 | -115.2 | -66.8 | 0 | 0 | 0 | 113.3 | |||||
| 71 | D | 25.4 | Very low | 28 | Very low | 155 Ų | 155 | 139.4 Ų | 139.4 | 83% | 0.829 | 81% | 0.805 | S | S | * | * | trans | -68.5 | 158 | -174 | -74.9 | -66.2 | 0 | 0 | 0 | 116.6 | ||||
| 72 | G | 29.1 | Very low | 28 | Very low | 81 Ų | 81 | 138.3 Ų | 138.3 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | trans | -179.1 | 64.3 | 171 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 73 | S | 26.1 | Very low | 28 | Very low | 116 Ų | 116 | 136.5 Ų | 136.5 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | trans | -78.5 | 131.4 | -175.3 | 60.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 74 | V | 29.9 | Very low | 28.2 | Very low | 150 Ų | 150 | 135.6 Ų | 135.6 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | trans | -141.6 | 127.1 | 145.4 | -179 | 0 | 0 | 0 | 0 | 110 | ||||
| 75 | S | 26.6 | Very low | 28.6 | Very low | 85 Ų | 85 | 139 Ų | 139 | 59% | 0.594 | 78% | 0.781 | S | S | * | * | trans | -97.3 | 145.6 | 172 | 57.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 76 | H | 27.9 | Very low | 29.1 | Very low | 160 Ų | 160 | 139.1 Ų | 139.1 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | -179.5 | 138 | 118.7 | -97 | -51.2 | 0 | 0 | 0 | 115.8 | |||||
| 77 | R | 24.2 | Very low | 29.5 | Very low | 213 Ų | 213 | 136.5 Ų | 136.5 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | 58.7 | 123.2 | 143.8 | -68.6 | 178.5 | 175.1 | 178.1 | -1.7 | 120.1 | ||||
| 78 | S | 26.4 | Very low | 30 | Very low | 128 Ų | 128 | 132.6 Ų | 132.6 | 90% | 0.895 | 75% | 0.749 | S | S | * | * | trans | -141.3 | 137.7 | 140 | -74.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 79 | E | 25.7 | Very low | 30.3 | Very low | 176 Ų | 176 | 129.7 Ų | 129.7 | 82% | 0.822 | 74% | 0.735 | S | S | * | * | trans | -85.7 | 144.2 | -171.3 | -65.7 | 175.4 | 144.8 | 0 | 0 | 111.7 | I81 | E79-I81 PolarHBondContact O-N 3.5Å; E79-I81 VanDerWaalsContact O-N 3.17Å | ||
| 80 | S | 26.5 | Very low | 30.8 | Very low | 123 Ų | 123 | 124.9 Ų | 124.9 | 86% | 0.86 | 72% | 0.723 | S | S | * | * | trans | -76.6 | 100.5 | 177.6 | 55 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 81 | I | 30.1 | Very low | 30.9 | Very low | 161 Ų | 161 | 120.3 Ų | 120.3 | 83% | 0.826 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 132.6 | 169.9 | -63.7 | 177.3 | 0 | 0 | 0 | 109.8 | E79 | E79-I81 PolarHBondContact O-N 3.5Å; E79-I81 VanDerWaalsContact O-N 3.17Å |
| 82 | S | 27.4 | Very low | 31.4 | Very low | 114 Ų | 114 | 119 Ų | 119 | 80% | 0.797 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 128.1 | -175.6 | 45.2 | 0 | 0 | 0 | 0 | 112.7 | ||
| 83 | L | 29.4 | Very low | 31.6 | Very low | 98 Ų | 98 | 119.3 Ų | 119.3 | 51% | 0.513 | 69% | 0.686 | S | S | . | * | P | Polyproline II helix | trans | -78.3 | 149 | 171.5 | -85 | 142.8 | 0 | 0 | 0 | 111.6 | F30 | F30-L83 HydrophobicContact CE1-CD2 3.97Š|
| 84 | P | 33.6 | Very low | 32.1 | Very low | 93 Ų | 93 | 120.3 Ų | 120.3 | 60% | 0.604 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 137.4 | 175.7 | -21.5 | 33.3 | 0 | 0 | 0 | 112.8 | N86 V87 | P84-N86 PolarHBondContact O-N 2.93Å; P84-V87 PolarHBondContact O-N 2.98Å |
| 85 | Q | 33.9 | Very low | 32.1 | Very low | 173 Ų | 173 | 118.6 Ų | 118.6 | 81% | 0.808 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -11 | -168.7 | -72.8 | 178.6 | -37.1 | 0 | 0 | 116.5 | ||
| 86 | N | 39.3 | Very low | 32.1 | Very low | 146 Ų | 146 | 119.2 Ų | 119.2 | 78% | 0.781 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -7.2 | -175.2 | -73.5 | -6.8 | 0 | 0 | 0 | 115.3 | P84 | P84-N86 PolarHBondContact O-N 2.93Š|
| 87 | V | 38 | Very low | 32.1 | Very low | 49 Ų | 49 | 121.4 Ų | 121.4 | 30% | 0.297 | 68% | 0.679 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100.6 | -26.8 | 178 | -175.9 | 0 | 0 | 0 | 0 | 111.9 | P84 S89 A90 L91 W114 | P84-V87 PolarHBondContact O-N 2.98Å; V87-S89 VanDerWaalsContact C-N 3.28Å; V87-S89 PolarHBondContact O-N 3.28Å; V87-A90 PolarHBondContact O-N 3.03Å; V87-L91 HydrophobicContact CG1-CD1 4.15Å; V87-W114 HydrophobicContact CG1-CH2 4.35Å; V87-W114 HydrophobicContact CG1-CZ2 3.9Å |
| 88 | S | 36.8 | Very low | 32.4 | Very low | 53 Ų | 53 | 116.8 Ų | 116.8 | 37% | 0.371 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -62.5 | -31.5 | 179.9 | -42 | 0 | 0 | 0 | 0 | 113.6 | N92 | S88-N92 VanDerWaalsContact O-CB 3.3Å; S88-N92 WeakPolarHBondContact O-CB 3.33Å; S88-N92 PolarHBondContact O-N 3.04Å; S88-N92 VanDerWaalsContact O-N 3.14Å; S88-N92 PolarHBondContact O-ND2 2.84Å |
| 89 | S | 38.7 | Very low | 32.5 | Very low | 87 Ų | 87 | 114.3 Ų | 114.3 | 61% | 0.608 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -72.9 | -28.4 | -178 | 50.2 | 0 | 0 | 0 | 0 | 113.7 | V87 | V87-S89 VanDerWaalsContact C-N 3.28Å; V87-S89 PolarHBondContact O-N 3.28Å |
| 90 | A | 38.5 | Very low | 32.7 | Very low | 71 Ų | 71 | 115 Ų | 115 | 59% | 0.587 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -80.4 | -30.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | V87 | V87-A90 PolarHBondContact O-N 3.03Å |
| 91 | L | 34.9 | Very low | 33.1 | Very low | 95 Ų | 95 | 114.5 Ų | 114.5 | 50% | 0.497 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -93.2 | -34.3 | -176.1 | -73.1 | 164.1 | 0 | 0 | 0 | 113.6 | V87 S93 | V87-L91 HydrophobicContact CG1-CD1 4.15Å; L91-S93 VanDerWaalsContact C-N 3.28Å; L91-S93 PolarHBondContact O-N 3.36Å |
| 92 | N | 36.1 | Very low | 33.6 | Very low | 126 Ų | 126 | 110.6 Ų | 110.6 | 67% | 0.674 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -2.8 | -175.8 | -71.8 | -20.8 | 0 | 0 | 0 | 115 | S88 | S88-N92 VanDerWaalsContact O-CB 3.3Å; S88-N92 WeakPolarHBondContact O-CB 3.33Å; S88-N92 PolarHBondContact O-N 3.04Å; S88-N92 VanDerWaalsContact O-N 3.14Å; S88-N92 PolarHBondContact O-ND2 2.84Å |
| 93 | S | 34.4 | Very low | 34.5 | Very low | 88 Ų | 88 | 107.1 Ų | 107.1 | 62% | 0.615 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | 11.9 | -179.6 | 61.5 | 0 | 0 | 0 | 0 | 114.7 | L91 | L91-S93 VanDerWaalsContact C-N 3.28Å; L91-S93 PolarHBondContact O-N 3.36Å |
| 94 | R | 35.5 | Very low | 35.7 | Very low | 137 Ų | 137 | 104.1 Ų | 104.1 | 52% | 0.517 | 62% | 0.616 | S | S | . | * | trans | -126.5 | 8.1 | -170.3 | -86.8 | -178.2 | 161.8 | -172 | -8.5 | 117.2 | S96 S102 | R94-S96 PolarHBondContact O-N 2.95Å; R94-S102 PolarHBondContact NH2-O 3.24Å; R94-S102 PolarHBondContact NH2-OG 3.02Å | ||
| 95 | S | 30.2 | Very low | 36.7 | Very low | 115 Ų | 115 | 109 Ų | 109 | 80% | 0.804 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -85 | 7.1 | -177.9 | 54.5 | 0 | 0 | 0 | 0 | 115.9 | ||
| 96 | S | 27.6 | Very low | 38.2 | Very low | 97 Ų | 97 | 101.8 Ų | 101.8 | 68% | 0.678 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -149.8 | 49.5 | -171 | 50.2 | 0 | 0 | 0 | 0 | 115.8 | R94 | R94-S96 PolarHBondContact O-N 2.95Š|
| 97 | F | 28 | Very low | 39.3 | Very low | 207 Ų | 207 | 100 Ų | 100 | 91% | 0.908 | 58% | 0.579 | S | S | * | * | trans | -145.6 | 115.8 | 160.1 | -107.5 | -78.5 | 0 | 0 | 0 | 113.2 | ||||
| 98 | S | 30 | Very low | 41.1 | Very low | 116 Ų | 116 | 99.5 Ų | 99.5 | 81% | 0.811 | 58% | 0.578 | S | S | * | * | trans | -72.8 | 136.3 | 162.3 | 44.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 99 | G | 28.8 | Very low | 42.9 | Very low | 76 Ų | 76 | 98.7 Ų | 98.7 | 78% | 0.784 | 57% | 0.571 | S | S | * | * | S | Bend | trans | 83.5 | 37.2 | 156.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||
| 100 | Q | 29.6 | Very low | 44.8 | Very low | 191 Ų | 191 | 99.1 Ų | 99.1 | 89% | 0.893 | 57% | 0.566 | S | S | * | * | trans | -164.8 | 110 | 148.9 | -110.4 | 168.1 | 32.9 | 0 | 0 | 111.4 | S102 | Q100-S102 PolarHBondContact O-N 3.35Å; Q100-S102 VanDerWaalsContact O-N 3.11Å | ||
| 101 | T | 35.2 | Very low | 46.8 | Very low | 111 Ų | 111 | 100.3 Ų | 100.3 | 68% | 0.681 | 56% | 0.56 | S | S | * | * | trans | -80.8 | 95.2 | -179.2 | 49.8 | 0 | 0 | 0 | 0 | 111.5 | K47 V103 | K47-T101 PolarHBondContact NZ-OG1 2.94Å; T101-V103 PolarHBondContact O-N 2.97Å; T101-V103 VanDerWaalsContact O-N 3.16Å | ||
| 102 | S | 39.4 | Very low | 49.1 | Very low | 80 Ų | 80 | 95.8 Ų | 95.8 | 56% | 0.559 | 54% | 0.536 | S | S | * | . | trans | -64.8 | 114.4 | 176.2 | 54.6 | 0 | 0 | 0 | 0 | 111.6 | R94 Q100 V104 | R94-S102 PolarHBondContact NH2-O 3.24Å; R94-S102 PolarHBondContact NH2-OG 3.02Å; Q100-S102 PolarHBondContact O-N 3.35Å; Q100-S102 VanDerWaalsContact O-N 3.11Å; S102-V104 PolarHBondContact O-N 3.3Å | ||
| 103 | V | 47.1 | Very low | 51.3 | Low | 40 Ų | 40 | 94.9 Ų | 94.9 | 24% | 0.242 | 52% | 0.523 | C | S | . | . | trans | -45.6 | 115.4 | 169.1 | 172.7 | 0 | 0 | 0 | 0 | 109.6 | T101 R105 N160 P162 | T101-V103 PolarHBondContact O-N 2.97Å; T101-V103 VanDerWaalsContact O-N 3.16Å; V103-R105 PolarHBondContact O-N 3.47Å; V103-N160 HydrophobicContact CG2-CB 3.88Å; V103-P162 HydrophobicContact CG1-CB 3.47Å; V103-P162 VanDerWaalsContact CG1-CB 3.47Å; V103-P162 HydrophobicContact CG1-CG 3.52Å | ||
| 104 | V | 54.7 | Low | 53.7 | Low | 36 Ų | 36 | 94.2 Ų | 94.2 | 22% | 0.218 | 51% | 0.507 | C | S | . | . | trans | -67.4 | 120.2 | 178.3 | -173.6 | 0 | 0 | 0 | 0 | 108.6 | S102 F106 | S102-V104 PolarHBondContact O-N 3.3Å; V104-F106 HydrophobicContact CB-CE2 4.4Å; V104-F106 HydrophobicContact CB-CZ 4.11Å; V104-F106 HydrophobicContact CG1-CD1 4.08Å; V104-F106 HydrophobicContact CG1-CE1 3.41Å; V104-F106 VanDerWaalsContact CG1-CE1 3.41Å; V104-F106 HydrophobicContact CG1-CE2 3.94Å; V104-F106 HydrophobicContact CG1-CZ 3.36Å | ||
| 105 | R | 54.8 | Low | 56.1 | Low | 196 Ų | 196 | 88.2 Ų | 88.2 | 74% | 0.74 | 49% | 0.486 | S | S | * | . | trans | -104.4 | 125.1 | 173.9 | -66.6 | -179.3 | 179.1 | 169.5 | -0.3 | 107.7 | V103 | V103-R105 PolarHBondContact O-N 3.47Š| ||
| 106 | F | 64.9 | Low | 58.9 | Low | 20 Ų | 20 | 83.1 Ų | 83.1 | 9% | 0.088 | 45% | 0.45 | C | S | . | . | trans | -103.7 | 105.9 | 173.4 | -51.1 | -77.1 | 0 | 0 | 0 | 107.6 | V104 E111 V115 P164 | V104-F106 HydrophobicContact CB-CE2 4.4Å; V104-F106 HydrophobicContact CB-CZ 4.11Å; V104-F106 HydrophobicContact CG1-CD1 4.08Å; V104-F106 HydrophobicContact CG1-CE1 3.41Å; V104-F106 VanDerWaalsContact CG1-CE1 3.41Å; V104-F106 HydrophobicContact CG1-CE2 3.94Å; V104-F106 HydrophobicContact CG1-CZ 3.36Å; F106-E111 HydrophobicContact CD1-CB 4.23Å; F106-V115 HydrophobicContact CD1-CG2 4.39Å; F106-V115 HydrophobicContact CE1-CB 4.38Å; F106-V115 HydrophobicContact CE1-CG2 3.58Å; F106-V115 HydrophobicContact CZ-CB 4.46Å; F106-V115 HydrophobicContact CZ-CG1 4.23Å; F106-V115 HydrophobicContact CZ-CG2 3.96Å; F106-P164 HydrophobicContact CB-CB 4.32Å; F106-P164 HydrophobicContact CD2-CB 3.99Å; F106-P164 HydrophobicContact CD2-CG 3.8Å; F106-P164 HydrophobicContact CE2-CG 4.34Å | ||
| 107 | D | 62.8 | Low | 61.8 | Low | 109 Ų | 109 | 81.1 Ų | 81.1 | 58% | 0.583 | 43% | 0.429 | S | S | * | . | trans | -98.5 | -19.3 | -177.4 | -69.5 | -32.6 | 0 | 0 | 0 | 111.2 | E111 | D107-E111 PolarHBondContact N-OE2 3.06Š| ||
| 108 | S | 74.4 | Confident | 64.6 | Low | 39 Ų | 39 | 71.3 Ų | 71.3 | 27% | 0.273 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -99.7 | 139.8 | 173.7 | 174.1 | 0 | 0 | 0 | 0 | 112.9 | D110 E111 L112 | S108-D110 PolarHBondContact O-N 2.93Å; S108-D110 PolarHBondContact OG-N 2.96Å; S108-E111 PolarHBondContact N-OE2 2.7Å; S108-E111 PolarHBondContact O-N 3.37Å; S108-L112 PolarHBondContact O-N 3.29Å |
| 109 | P | 75.4 | Confident | 67.4 | Low | 36 Ų | 36 | 65.8 Ų | 65.8 | 23% | 0.234 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.5 | -24.7 | 171.7 | 27.7 | -35.2 | 0 | 0 | 0 | 113.1 | R113 I166 F174 | P109-R113 WeakPolarHBondContact O-CG 3.41Å; P109-R113 PolarHBondContact O-N 3.46Å; P109-I166 HydrophobicContact CB-CG1 4.39Å; P109-F174 HydrophobicContact CB-CZ 4.04Å |
| 110 | D | 78.4 | Confident | 70.2 | Confident | 95 Ų | 95 | 62.2 Ų | 62.2 | 51% | 0.508 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -80.4 | -33 | -179.9 | -63.9 | -45.9 | 0 | 0 | 0 | 112.6 | S108 L112 R113 W114 | S108-D110 PolarHBondContact O-N 2.93Å; S108-D110 PolarHBondContact OG-N 2.96Å; D110-L112 VanDerWaalsContact C-N 3.35Å; D110-R113 PolarHBondContact O-N 3.14Å; D110-R113 IonicContact OD1-CZ 3.66Å; D110-R113 IonicContact OD1-NH1 3.6Å; D110-R113 PolarHBondContact OD1-NH1 3.06Å; D110-W114 PolarHBondContact O-N 3.19Å |
| 111 | E | 79.7 | Confident | 73 | Confident | 96 Ų | 96 | 53.9 Ų | 53.9 | 45% | 0.449 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.7 | -45.1 | 169 | -68.8 | 171.2 | 157.2 | 0 | 0 | 110.8 | F106 D107 S108 W114 V115 | F106-E111 HydrophobicContact CD1-CB 4.23Å; D107-E111 PolarHBondContact N-OE2 3.06Å; S108-E111 PolarHBondContact N-OE2 2.7Å; S108-E111 PolarHBondContact O-N 3.37Å; E111-W114 PolarHBondContact O-N 3.33Å; E111-V115 PolarHBondContact O-N 3.47Å |
| 112 | L | 83.3 | Confident | 75.3 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62 | -44.4 | 176.1 | -179.1 | 63.8 | 0 | 0 | 0 | 111.2 | S108 D110 W114 V115 M116 W143 P164 I166 L167 F174 | S108-L112 PolarHBondContact O-N 3.29Å; D110-L112 VanDerWaalsContact C-N 3.35Å; L112-W114 VanDerWaalsContact C-N 3.33Å; L112-W114 PolarHBondContact O-N 3.28Å; L112-V115 PolarHBondContact O-N 3.27Å; L112-M116 HydrophobicContact CD1-CG 4.3Å; L112-M116 HydrophobicContact CD2-SD 4.5Å; L112-M116 HydrophobicContact CG-CG 4.28Å; L112-M116 HydrophobicContact CG-SD 4.14Å; L112-M116 WeakPolarHBondContact O-CB 3.27Å; L112-M116 VanDerWaalsContact O-CG 3.27Å; L112-M116 WeakPolarHBondContact O-CG 3.44Å; L112-M116 PolarHBondContact O-N 3.38Å; L112-W143 HydrophobicContact CD1-CH2 3.74Å; L112-W143 HydrophobicContact CD1-CZ3 3.76Å; L112-P164 HydrophobicContact CD1-CB 4.26Å; L112-P164 HydrophobicContact CD1-CG 4.1Å; L112-I166 HydrophobicContact CB-CG2 4.22Å; L112-I166 HydrophobicContact CD2-CG2 3.41Å; L112-I166 VanDerWaalsContact CD2-CG2 3.41Å; L112-I166 HydrophobicContact CG-CG2 4.41Å; L112-L167 HydrophobicContact CD1-CD1 4.27Å; L112-L167 HydrophobicContact CD2-CD1 3.93Å; L112-L167 HydrophobicContact CD2-CD2 4.39Å; L112-L167 HydrophobicContact CD2-CG 3.73Å; L112-F174 HydrophobicContact CD2-CD1 3.92Å; L112-F174 HydrophobicContact CD2-CD2 4.47Å; L112-F174 HydrophobicContact CD2-CE1 3.83Å; L112-F174 HydrophobicContact CD2-CE2 4.39Å; L112-F174 HydrophobicContact CD2-CG 4.25Å; L112-F174 HydrophobicContact CD2-CZ 4.08Å |
| 113 | R | 82.5 | Confident | 77.4 | Confident | 108 Ų | 108 | 44.8 Ų | 44.8 | 41% | 0.408 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -57.2 | -45.4 | 174.9 | -77.2 | 170.2 | 179.4 | 145.8 | -3.8 | 112 | P109 D110 V115 M116 H117 | P109-R113 WeakPolarHBondContact O-CG 3.41Å; P109-R113 PolarHBondContact O-N 3.46Å; D110-R113 PolarHBondContact O-N 3.14Å; D110-R113 IonicContact OD1-CZ 3.66Å; D110-R113 IonicContact OD1-NH1 3.6Å; D110-R113 PolarHBondContact OD1-NH1 3.06Å; R113-V115 PolarHBondContact O-N 2.93Å; R113-M116 WeakPolarHBondContact O-CB 3.39Å; R113-M116 PolarHBondContact O-N 2.84Å; R113-M116 VanDerWaalsContact O-N 3.16Å; R113-H117 PolarHBondContact O-CD2 2.76Å; R113-H117 PolarHBondContact O-N 2.97Å |
| 114 | W | 85 | Confident | 79 | Confident | 73 Ų | 73 | 43.6 Ų | 43.6 | 28% | 0.277 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.4 | -45.9 | 179.6 | -163.5 | 95.2 | 0 | 0 | 0 | 111.6 | F26 I38 T42 V87 D110 E111 L112 H117 A118 | F26-W114 AromaticContact CE1-CD1 3.96Å; F26-W114 HydrophobicContact CE1-CG 4.47Å; F26-W114 AromaticContact CE1-NE1 3.95Å; F26-W114 AromaticContact CZ-CD1 3.92Å; F26-W114 AromaticContact CZ-CE2 3.91Å; F26-W114 HydrophobicContact CZ-CZ2 4.37Å; F26-W114 AromaticContact CZ-NE1 3.43Å; I38-W114 HydrophobicContact CG2-CH2 3.72Å; I38-W114 HydrophobicContact CG2-CZ2 4.25Å; T42-W114 HydrophobicContact CG2-CZ3 3.96Å; V87-W114 HydrophobicContact CG1-CH2 4.35Å; V87-W114 HydrophobicContact CG1-CZ2 3.9Å; D110-W114 PolarHBondContact O-N 3.19Å; E111-W114 PolarHBondContact O-N 3.33Å; L112-W114 VanDerWaalsContact C-N 3.33Å; L112-W114 PolarHBondContact O-N 3.28Å; W114-H117 PolarHBondContact O-N 3.19Å; W114-A118 PolarHBondContact O-N 3.01Å; W114-A118 VanDerWaalsContact O-N 3.13Å |
| 115 | V | 86.8 | Confident | 80.3 | Confident | 11 Ų | 11 | 42.1 Ų | 42.1 | 7% | 0.067 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.3 | -36.1 | 174.4 | 172.9 | 0 | 0 | 0 | 0 | 112.1 | T42 V46 F106 E111 L112 R113 H117 A118 I119 W143 | T42-V115 HydrophobicContact CG2-CG1 4.37Å; T42-V115 HydrophobicContact CG2-CG2 4.1Å; V46-V115 HydrophobicContact CG2-CG1 4.01Å; F106-V115 HydrophobicContact CD1-CG2 4.39Å; F106-V115 HydrophobicContact CE1-CB 4.38Å; F106-V115 HydrophobicContact CE1-CG2 3.58Å; F106-V115 HydrophobicContact CZ-CB 4.46Å; F106-V115 HydrophobicContact CZ-CG1 4.23Å; F106-V115 HydrophobicContact CZ-CG2 3.96Å; E111-V115 PolarHBondContact O-N 3.47Å; L112-V115 PolarHBondContact O-N 3.27Å; R113-V115 PolarHBondContact O-N 2.93Å; V115-H117 VanDerWaalsContact C-N 3.35Å; V115-H117 PolarHBondContact O-N 2.89Å; V115-A118 WeakPolarHBondContact O-CB 3.48Å; V115-A118 PolarHBondContact O-N 3.31Å; V115-A118 VanDerWaalsContact O-N 3.16Å; V115-I119 HydrophobicContact CG1-CD1 3.8Å; V115-I119 HydrophobicContact CG1-CG1 4.31Å; V115-I119 WeakPolarHBondContact O-CG1 3.46Å; V115-I119 PolarHBondContact O-N 3.13Å; V115-W143 HydrophobicContact CG1-CH2 4.33Å |
| 116 | M | 87.8 | Confident | 81.2 | Confident | 9 Ų | 9 | 34.7 Ų | 34.7 | 4% | 0.044 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.1 | -39.9 | 172.8 | -74.9 | -176 | 67.2 | 0 | 0 | 111.8 | L112 R113 A118 I119 T120 Y140 W143 F174 L178 | L112-M116 HydrophobicContact CD1-CG 4.3Å; L112-M116 HydrophobicContact CD2-SD 4.5Å; L112-M116 HydrophobicContact CG-CG 4.28Å; L112-M116 HydrophobicContact CG-SD 4.14Å; L112-M116 WeakPolarHBondContact O-CB 3.27Å; L112-M116 VanDerWaalsContact O-CG 3.27Å; L112-M116 WeakPolarHBondContact O-CG 3.44Å; L112-M116 PolarHBondContact O-N 3.38Å; R113-M116 WeakPolarHBondContact O-CB 3.39Å; R113-M116 PolarHBondContact O-N 2.84Å; R113-M116 VanDerWaalsContact O-N 3.16Å; M116-A118 VanDerWaalsContact C-N 3.32Å; M116-A118 PolarHBondContact O-N 3.26Å; M116-I119 PolarHBondContact O-N 3.3Å; M116-T120 WeakPolarHBondContact O-CB 3.45Å; M116-T120 PolarHBondContact O-N 2.91Å; M116-T120 PolarHBondContact O-OG1 3.34Å; M116-Y140 WeakPolarHBondContact CA-OH 3.45Å; M116-Y140 HydrophobicContact CE-CE1 4.4Å; M116-Y140 HydrophobicContact CG-CE1 4.19Å; M116-Y140 PolarHBondContact O-OH 3.43Å; M116-W143 HydrophobicContact CG-CZ3 4.13Å; M116-F174 HydrophobicContact SD-CD1 4.25Å; M116-L178 HydrophobicContact CE-CD2 3.72Å; M116-L178 HydrophobicContact CE-CG 4.06Å; M116-L178 HydrophobicContact SD-CD2 4.33Å |
| 117 | H | 88.2 | Confident | 81.5 | Confident | 55 Ų | 55 | 36 Ų | 36 | 26% | 0.255 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -64.3 | -37 | 173.1 | -69.6 | -70.8 | 0 | 0 | 0 | 111.9 | E24 S25 F26 R113 W114 V115 T120 Y121 | E24-H117 PolarHBondContact O-ND1 2.92Å; S25-H117 VanDerWaalsContact CB-O 3.3Å; S25-H117 WeakPolarHBondContact CB-O 3.5Å; S25-H117 PolarHBondContact OG-O 2.9Å; F26-H117 HydrophobicContact CD1-CB 3.5Å; F26-H117 VanDerWaalsContact CD1-CB 3.5Å; F26-H117 AromaticContact CD1-CD2 3.65Å; F26-H117 AromaticContact CD1-CG 3.53Å; F26-H117 HydrophobicContact CE1-CB 3.59Å; R113-H117 PolarHBondContact O-CD2 2.76Å; R113-H117 PolarHBondContact O-N 2.97Å; W114-H117 PolarHBondContact O-N 3.19Å; V115-H117 VanDerWaalsContact C-N 3.35Å; V115-H117 PolarHBondContact O-N 2.89Å; H117-T120 PolarHBondContact O-N 3.22Å; H117-Y121 WeakPolarHBondContact O-CB 3.49Å; H117-Y121 PolarHBondContact O-N 3.27Å |
| 118 | A | 87.9 | Confident | 81.8 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.7 | -44.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L27 T42 W114 V115 M116 Y121 G122 | L27-A118 HydrophobicContact CD1-CB 4.18Å; T42-A118 HydrophobicContact CG2-CB 3.62Å; W114-A118 PolarHBondContact O-N 3.01Å; W114-A118 VanDerWaalsContact O-N 3.13Å; V115-A118 WeakPolarHBondContact O-CB 3.48Å; V115-A118 PolarHBondContact O-N 3.31Å; V115-A118 VanDerWaalsContact O-N 3.16Å; M116-A118 VanDerWaalsContact C-N 3.32Å; M116-A118 PolarHBondContact O-N 3.26Å; A118-Y121 PolarHBondContact O-N 2.93Å; A118-G122 PolarHBondContact O-N 2.81Å |
| 119 | I | 88.8 | Confident | 82.1 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.1 | -43.5 | 175.5 | -61.7 | 161.8 | 0 | 0 | 0 | 110.9 | V43 V115 M116 Y121 G122 L123 I139 Y140 W143 | V43-I119 HydrophobicContact CG2-CB 4.48Å; V43-I119 HydrophobicContact CG2-CG1 4.09Å; V115-I119 HydrophobicContact CG1-CD1 3.8Å; V115-I119 HydrophobicContact CG1-CG1 4.31Å; V115-I119 WeakPolarHBondContact O-CG1 3.46Å; V115-I119 PolarHBondContact O-N 3.13Å; M116-I119 PolarHBondContact O-N 3.3Å; I119-Y121 VanDerWaalsContact C-N 3.32Å; I119-Y121 PolarHBondContact O-N 2.67Å; I119-G122 WeakPolarHBondContact O-CA 3.28Å; I119-G122 PolarHBondContact O-N 2.73Å; I119-G122 VanDerWaalsContact O-N 3.09Å; I119-L123 PolarHBondContact O-N 3.21Å; I119-L123 VanDerWaalsContact O-N 3.07Å; I119-I139 HydrophobicContact CD1-CG2 3.78Å; I119-Y140 HydrophobicContact CB-CE1 3.96Å; I119-Y140 HydrophobicContact CB-CE2 4.26Å; I119-Y140 HydrophobicContact CD1-CD1 4.4Å; I119-Y140 HydrophobicContact CD1-CE1 3.91Å; I119-Y140 HydrophobicContact CG2-CD1 3.91Å; I119-Y140 HydrophobicContact CG2-CD2 3.87Å; I119-Y140 HydrophobicContact CG2-CE1 3.63Å; I119-Y140 HydrophobicContact CG2-CE2 3.55Å; I119-Y140 HydrophobicContact CG2-CG 4.04Å; I119-Y140 VanDerWaalsContact CG2-CZ 3.46Å; I119-W143 HydrophobicContact CD1-CH2 3.64Å; I119-W143 HydrophobicContact CD1-CZ2 4.43Å; I119-W143 HydrophobicContact CD1-CZ3 3.82Å |
| 120 | T | 87.9 | Confident | 82.3 | Confident | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.012 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.5 | -42.3 | 177.7 | -54.2 | 0 | 0 | 0 | 0 | 111.1 | M116 H117 L123 Y140 S181 Y184 | M116-T120 WeakPolarHBondContact O-CB 3.45Å; M116-T120 PolarHBondContact O-N 2.91Å; M116-T120 PolarHBondContact O-OG1 3.34Å; H117-T120 PolarHBondContact O-N 3.22Å; T120-L123 PolarHBondContact O-N 2.91Å; T120-Y140 PolarHBondContact OG1-OH 3.46Å; T120-S181 WeakPolarHBondContact OG1-CB 3.45Å; T120-S181 PolarHBondContact OG1-OG 2.62Å; T120-Y184 HydrophobicContact CG2-CD2 3.79Å; T120-Y184 HydrophobicContact CG2-CE2 4.31Å; T120-Y184 HydrophobicContact CG2-CG 4.12Å |
| 121 | Y | 87 | Confident | 82.5 | Confident | 15 Ų | 15 | 38.1 Ų | 38.1 | 6% | 0.059 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.7 | -41.7 | 173.4 | -172.6 | -84.8 | 0 | 0 | 0 | 111.5 | L27 R28 A35 N36 A39 H117 A118 I119 L123 T124 M125 | L27-Y121 HydrophobicContact CB-CD2 3.67Å; L27-Y121 HydrophobicContact CB-CE2 4.33Å; L27-Y121 HydrophobicContact CB-CG 3.93Å; L27-Y121 HydrophobicContact CD1-CG 4.26Å; R28-Y121 HydrophobicContact CG-CD2 4Å; R28-Y121 HydrophobicContact CG-CE2 3.95Å; A35-Y121 HydrophobicContact CB-CD2 4.42Å; A35-Y121 HydrophobicContact CB-CE1 3.89Å; A35-Y121 HydrophobicContact CB-CE2 3.68Å; A35-Y121 WeakPolarHBondContact CB-OH 3.5Å; N36-Y121 VanDerWaalsContact OD1-CE1 3.23Å; N36-Y121 WeakPolarHBondContact OD1-CE1 3.38Å; N36-Y121 PolarHBondContact OD1-OH 3.49Å; A39-Y121 HydrophobicContact CB-CD1 3.49Å; A39-Y121 VanDerWaalsContact CB-CD1 3.49Å; A39-Y121 HydrophobicContact CB-CE1 4.22Å; A39-Y121 HydrophobicContact CB-CG 4.33Å; H117-Y121 WeakPolarHBondContact O-CB 3.49Å; H117-Y121 PolarHBondContact O-N 3.27Å; A118-Y121 PolarHBondContact O-N 2.93Å; I119-Y121 VanDerWaalsContact C-N 3.32Å; I119-Y121 PolarHBondContact O-N 2.67Å; Y121-L123 PolarHBondContact O-N 3.2Å; Y121-T124 WeakPolarHBondContact O-CA 3.3Å; Y121-T124 PolarHBondContact O-N 3.01Å; Y121-T124 PolarHBondContact O-OG1 3.45Å; Y121-M125 HydrophobicContact CD1-CG 3.98Å; Y121-M125 HydrophobicContact CE1-CG 3.83Å; Y121-M125 PolarHBondContact O-N 3.04Å |
| 122 | G | 85.5 | Confident | 82.8 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -53.5 | -35.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | A118 I119 T124 I133 | A118-G122 PolarHBondContact O-N 2.81Å; I119-G122 WeakPolarHBondContact O-CA 3.28Å; I119-G122 PolarHBondContact O-N 2.73Å; I119-G122 VanDerWaalsContact O-N 3.09Å; G122-T124 VanDerWaalsContact C-N 3.27Å; G122-T124 PolarHBondContact O-N 2.86Å; G122-I133 WeakPolarHBondContact O-CG1 3.23Å |
| 123 | L | 83.4 | Confident | 82.8 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67.6 | -23.7 | 173.6 | -62.6 | 173.2 | 0 | 0 | 0 | 113.7 | I119 T120 Y121 A137 Y140 S181 L182 Y185 R189 | I119-L123 PolarHBondContact O-N 3.21Å; I119-L123 VanDerWaalsContact O-N 3.07Å; T120-L123 PolarHBondContact O-N 2.91Å; Y121-L123 PolarHBondContact O-N 3.2Å; L123-A137 HydrophobicContact CD2-CB 3.94Å; L123-Y140 HydrophobicContact CD1-CD2 3.95Å; L123-Y140 HydrophobicContact CD1-CE2 3.92Å; L123-S181 WeakPolarHBondContact CD1-O 3.48Å; L123-L182 HydrophobicContact CD1-CD1 4.35Å; L123-Y185 HydrophobicContact CD2-CD2 4.46Å; L123-R189 PolarHBondContact O-NH2 3.33Å |
| 124 | T | 79.6 | Confident | 82.9 | Confident | 15 Ų | 15 | 31.9 Ų | 31.9 | 9% | 0.092 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -97.2 | -6.4 | -176.7 | 64.9 | 0 | 0 | 0 | 0 | 115.2 | Y121 G122 Y184 R189 | Y121-T124 WeakPolarHBondContact O-CA 3.3Å; Y121-T124 PolarHBondContact O-N 3.01Å; Y121-T124 PolarHBondContact O-OG1 3.45Å; G122-T124 VanDerWaalsContact C-N 3.27Å; G122-T124 PolarHBondContact O-N 2.86Å; T124-Y184 HydrophobicContact CG2-CD1 4.02Å; T124-Y184 HydrophobicContact CG2-CG 4.33Å; T124-R189 WeakPolarHBondContact O-CD 3.32Å |
| 125 | M | 81.7 | Confident | 83.1 | Confident | 5 Ų | 5 | 28.4 Ų | 28.4 | 3% | 0.025 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -61.6 | 166.3 | -177.6 | -68.8 | -178.5 | 72.9 | 0 | 0 | 114.1 | N36 A39 T40 Y121 N129 V132 I133 R189 | N36-M125 HydrophobicContact CB-CE 3.77Å; A39-M125 HydrophobicContact CB-SD 4.25Å; T40-M125 WeakPolarHBondContact OG1-CE 3.4Å; Y121-M125 HydrophobicContact CD1-CG 3.98Å; Y121-M125 HydrophobicContact CE1-CG 3.83Å; Y121-M125 PolarHBondContact O-N 3.04Å; M125-N129 HydrophobicContact CB-CB 4.17Å; M125-N129 HydrophobicContact CE-CB 3.68Å; M125-N129 VanDerWaalsContact CE-CG 3.44Å; M125-N129 HydrophobicContact SD-CB 4.33Å; M125-V132 HydrophobicContact SD-CB 4.22Å; M125-V132 HydrophobicContact SD-CG1 3.73Å; M125-I133 HydrophobicContact CB-CG1 4.39Å; M125-R189 VanDerWaalsContact O-CD 3.27Å; M125-R189 WeakPolarHBondContact O-CD 3.39Å; M125-R189 PolarHBondContact O-NH1 2.92Å |
| 126 | S | 74.5 | Confident | 83.2 | Confident | 40 Ų | 40 | 27.9 Ų | 27.9 | 28% | 0.28 | 14% | 0.143 | S | C | . | . | trans | -59.3 | 156.2 | 174.5 | 70.5 | 0 | 0 | 0 | 0 | 112.4 | E128 N129 I133 | S126-E128 WeakPolarHBondContact CB-OE2 3.28Å; S126-E128 PolarHBondContact O-N 2.87Å; S126-E128 VanDerWaalsContact O-N 3.13Å; S126-E128 PolarHBondContact OG-OE2 3.5Å; S126-N129 PolarHBondContact O-N 3.34Å; S126-N129 PolarHBondContact OG-ND2 3Å; S126-I133 VanDerWaalsContact O-CD1 3.28Å; S126-I133 WeakPolarHBondContact O-CD1 3.34Å | ||
| 127 | S | 70.4 | Confident | 83.2 | Confident | 47 Ų | 47 | 27.5 Ų | 27.5 | 33% | 0.329 | 14% | 0.141 | S | C | . | . | G | 310 helix | trans | -64.1 | -16.1 | 179.6 | 56.4 | 0 | 0 | 0 | 0 | 114.2 | N129 W130 L200 | S127-N129 PolarHBondContact O-N 2.97Å; S127-W130 PolarHBondContact O-N 3.3Å; S127-L200 WeakPolarHBondContact OG-CD2 3.48Å |
| 128 | E | 70.6 | Confident | 83.2 | Confident | 166 Ų | 166 | 26.5 Ų | 26.5 | 78% | 0.776 | 14% | 0.136 | S | C | * | . | G | 310 helix | trans | -62.4 | -31.8 | 173 | -58.7 | 154.9 | 148.7 | 0 | 0 | 111.1 | S126 W130 | S126-E128 WeakPolarHBondContact CB-OE2 3.28Å; S126-E128 PolarHBondContact O-N 2.87Å; S126-E128 VanDerWaalsContact O-N 3.13Å; S126-E128 PolarHBondContact OG-OE2 3.5Å; E128-W130 PolarHBondContact O-N 3.38Å |
| 129 | N | 80 | Confident | 83.2 | Confident | 46 Ų | 46 | 26.5 Ų | 26.5 | 25% | 0.246 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -91.9 | 36.6 | 180 | -64.1 | -81.4 | 0 | 0 | 0 | 111.7 | M125 S126 S127 D131 V132 I133 | M125-N129 HydrophobicContact CB-CB 4.17Å; M125-N129 HydrophobicContact CE-CB 3.68Å; M125-N129 VanDerWaalsContact CE-CG 3.44Å; M125-N129 HydrophobicContact SD-CB 4.33Å; S126-N129 PolarHBondContact O-N 3.34Å; S126-N129 PolarHBondContact OG-ND2 3Å; S127-N129 PolarHBondContact O-N 2.97Å; N129-D131 PolarHBondContact O-N 3.25Å; N129-D131 VanDerWaalsContact O-N 3.16Å; N129-V132 HydrophobicContact CB-CB 4.46Å; N129-V132 HydrophobicContact CB-CG2 4.39Å; N129-V132 WeakPolarHBondContact O-CB 3.43Å; N129-V132 PolarHBondContact O-N 2.95Å; N129-I133 PolarHBondContact O-N 3.12Å; N129-I133 VanDerWaalsContact O-N 3.15Å |
| 130 | W | 79.7 | Confident | 83.3 | Confident | 27 Ų | 27 | 26.5 Ų | 26.5 | 10% | 0.102 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57 | -34.6 | -171.5 | -167.7 | -102.1 | 0 | 0 | 0 | 113.8 | S127 E128 I133 K134 Y185 K241 Q242 I245 | S127-W130 PolarHBondContact O-N 3.3Å; E128-W130 PolarHBondContact O-N 3.38Å; W130-I133 HydrophobicContact CE3-CD1 4.03Å; W130-I133 HydrophobicContact CE3-CG2 4.37Å; W130-I133 HydrophobicContact CZ3-CG2 4.21Å; W130-I133 PolarHBondContact O-N 2.98Å; W130-K134 VanDerWaalsContact O-CB 3.29Å; W130-K134 WeakPolarHBondContact O-CB 3.22Å; W130-K134 PolarHBondContact O-N 3.44Å; W130-Y185 HydrophobicContact CH2-CE2 4.18Å; W130-Y185 WeakPolarHBondContact CH2-OH 3.46Å; W130-K241 HydrophobicContact CD2-CD 4.49Å; W130-K241 HydrophobicContact CG-CD 4.43Å; W130-K241 HydrophobicContact CZ2-CB 3.62Å; W130-Q242 HydrophobicContact CH2-CG 4.07Å; W130-I245 HydrophobicContact CH2-CD1 4.17Å; W130-I245 HydrophobicContact CZ2-CD1 3.57Å |
| 131 | D | 81.8 | Confident | 83.3 | Confident | 86 Ų | 86 | 26.4 Ų | 26.4 | 46% | 0.46 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -67.3 | -37.2 | 179.1 | -59.7 | -40.3 | 0 | 0 | 0 | 111.8 | M44 N129 H135 | M44-D131 HydrophobicContact CE-CB 3.87Å; N129-D131 PolarHBondContact O-N 3.25Å; N129-D131 VanDerWaalsContact O-N 3.16Å; D131-H135 WeakPolarHBondContact O-CB 3.4Å; D131-H135 PolarHBondContact O-N 2.69Å |
| 132 | V | 85.8 | Confident | 83.1 | Confident | 5 Ų | 5 | 27.8 Ų | 27.8 | 3% | 0.03 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66.4 | -42.7 | 174.2 | -174.1 | 0 | 0 | 0 | 0 | 110.6 | T40 V43 M44 M125 N129 S136 | T40-V132 HydrophobicContact CG2-CG2 3.87Å; V43-V132 HydrophobicContact CB-CG1 4.03Å; V43-V132 HydrophobicContact CG1-CG1 3.88Å; V43-V132 HydrophobicContact CG2-CG1 4.33Å; M44-V132 HydrophobicContact CE-CG2 4Å; M125-V132 HydrophobicContact SD-CB 4.22Å; M125-V132 HydrophobicContact SD-CG1 3.73Å; N129-V132 HydrophobicContact CB-CB 4.46Å; N129-V132 HydrophobicContact CB-CG2 4.39Å; N129-V132 WeakPolarHBondContact O-CB 3.43Å; N129-V132 PolarHBondContact O-N 2.95Å; V132-S136 VanDerWaalsContact O-CB 3.23Å; V132-S136 WeakPolarHBondContact O-CB 3.43Å; V132-S136 PolarHBondContact O-N 3.14Å; V132-S136 PolarHBondContact O-OG 2.9Å |
| 133 | I | 84.5 | Confident | 83.2 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.1 | -49.4 | 177.4 | -66.9 | 152.3 | 0 | 0 | 0 | 110.6 | G122 M125 S126 N129 W130 S136 A137 Y185 | G122-I133 WeakPolarHBondContact O-CG1 3.23Å; M125-I133 HydrophobicContact CB-CG1 4.39Å; S126-I133 VanDerWaalsContact O-CD1 3.28Å; S126-I133 WeakPolarHBondContact O-CD1 3.34Å; N129-I133 PolarHBondContact O-N 3.12Å; N129-I133 VanDerWaalsContact O-N 3.15Å; W130-I133 HydrophobicContact CE3-CD1 4.03Å; W130-I133 HydrophobicContact CE3-CG2 4.37Å; W130-I133 HydrophobicContact CZ3-CG2 4.21Å; W130-I133 PolarHBondContact O-N 2.98Å; I133-S136 PolarHBondContact O-N 3.08Å; I133-A137 PolarHBondContact O-N 3.34Å; I133-Y185 HydrophobicContact CG2-CD2 3.83Å; I133-Y185 HydrophobicContact CG2-CE2 3.67Å |
| 134 | K | 84.1 | Confident | 83.3 | Confident | 68 Ų | 68 | 27.9 Ų | 27.9 | 30% | 0.296 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -61.8 | -47.4 | 179 | -175.1 | -177.8 | 178.8 | -176.6 | 0 | 110.5 | W130 A137 H138 I245 | W130-K134 VanDerWaalsContact O-CB 3.29Å; W130-K134 WeakPolarHBondContact O-CB 3.22Å; W130-K134 PolarHBondContact O-N 3.44Å; K134-A137 PolarHBondContact O-N 3.18Å; K134-H138 WeakPolarHBondContact O-CB 3.46Å; K134-H138 PolarHBondContact O-CD2 2.84Å; K134-H138 PolarHBondContact O-N 2.81Å; K134-I245 HydrophobicContact CB-CD1 4.23Å; K134-I245 HydrophobicContact CG-CD1 4.33Å |
| 135 | H | 88.6 | Confident | 83.2 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.5 | -40.3 | 178.6 | -163 | 56.5 | 0 | 0 | 0 | 111.8 | V43 M44 V46 C50 C52 T53 D131 A137 H138 I139 | V43-H135 HydrophobicContact CG1-CB 4.33Å; V43-H135 PolarHBondContact O-CD2 3.32Å; M44-H135 HydrophobicContact SD-CB 4.44Å; V46-H135 PolarHBondContact O-NE2 3.09Å; C50-H135 VanDerWaalsContact SG-CE1 3.54Å; C50-H135 PolarHBondContact SG-ND1 3.48Å; C52-H135 HydrophobicContact CB-CB 4.19Å; T53-H135 WeakPolarHBondContact CG2-CE1 3.45Å; D131-H135 WeakPolarHBondContact O-CB 3.4Å; D131-H135 PolarHBondContact O-N 2.69Å; H135-A137 PolarHBondContact O-N 2.98Å; H135-H138 PolarHBondContact O-N 2.73Å; H135-I139 WeakPolarHBondContact O-CD1 3.34Å; H135-I139 VanDerWaalsContact O-CG1 3.25Å; H135-I139 WeakPolarHBondContact O-CG1 3.36Å; H135-I139 PolarHBondContact O-N 3.48Å |
| 136 | S | 89.5 | Confident | 82.9 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57.7 | -47.3 | 173.5 | -62.5 | 0 | 0 | 0 | 0 | 112.2 | V43 V132 I133 I139 Y140 | V43-S136 WeakPolarHBondContact CG1-OG 3.4Å; V132-S136 VanDerWaalsContact O-CB 3.23Å; V132-S136 WeakPolarHBondContact O-CB 3.43Å; V132-S136 PolarHBondContact O-N 3.14Å; V132-S136 PolarHBondContact O-OG 2.9Å; I133-S136 PolarHBondContact O-N 3.08Å; S136-I139 PolarHBondContact O-N 2.81Å; S136-Y140 PolarHBondContact O-N 2.9Å |
| 137 | A | 87.5 | Confident | 82.9 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.5 | -40.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L123 I133 K134 H135 C141 I245 | L123-A137 HydrophobicContact CD2-CB 3.94Å; I133-A137 PolarHBondContact O-N 3.34Å; K134-A137 PolarHBondContact O-N 3.18Å; H135-A137 PolarHBondContact O-N 2.98Å; A137-C141 VanDerWaalsContact O-CB 3.31Å; A137-C141 WeakPolarHBondContact O-CB 3.41Å; A137-C141 PolarHBondContact O-N 3.16Å; A137-C141 PolarHBondContact O-SG 2.65Å; A137-I245 HydrophobicContact CB-CG2 3.78Å |
| 138 | H | 88.2 | Confident | 82.6 | Confident | 34 Ų | 34 | 28 Ų | 28 | 16% | 0.157 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.4 | -41.9 | 174.9 | -82.6 | -125.8 | 0 | 0 | 0 | 112.8 | C50 K134 H135 C141 Y142 L248 | C50-H138 HydrophobicContact CB-CB 4.19Å; C50-H138 VanDerWaalsContact CB-ND1 3.3Å; C50-H138 WeakPolarHBondContact CB-ND1 3.28Å; K134-H138 WeakPolarHBondContact O-CB 3.46Å; K134-H138 PolarHBondContact O-CD2 2.84Å; K134-H138 PolarHBondContact O-N 2.81Å; H135-H138 PolarHBondContact O-N 2.73Å; H138-C141 PolarHBondContact O-N 2.95Å; H138-Y142 WeakPolarHBondContact O-CB 3.48Å; H138-Y142 PolarHBondContact O-N 2.71Å; H138-L248 VanDerWaalsContact CD2-CD2 3.45Å; H138-L248 WeakPolarHBondContact CD2-CD2 3.49Å |
| 139 | I | 88 | Confident | 82 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -59.5 | -51.3 | 176.3 | -69.4 | 158.7 | 0 | 0 | 0 | 110.5 | V43 V46 C48 I119 H135 S136 Y142 W143 | V43-I139 HydrophobicContact CG1-CD1 4.15Å; V46-I139 HydrophobicContact CB-CD1 3.83Å; V46-I139 HydrophobicContact CG1-CD1 3.89Å; V46-I139 HydrophobicContact CG1-CG1 4.05Å; V46-I139 HydrophobicContact CG1-CG2 4Å; C48-I139 HydrophobicContact CB-CG1 3.79Å; I119-I139 HydrophobicContact CD1-CG2 3.78Å; H135-I139 WeakPolarHBondContact O-CD1 3.34Å; H135-I139 VanDerWaalsContact O-CG1 3.25Å; H135-I139 WeakPolarHBondContact O-CG1 3.36Å; H135-I139 PolarHBondContact O-N 3.48Å; S136-I139 PolarHBondContact O-N 2.81Å; I139-Y142 PolarHBondContact O-N 3.36Å; I139-W143 HydrophobicContact CG2-CD2 3.86Å; I139-W143 HydrophobicContact CG2-CE3 4.23Å; I139-W143 HydrophobicContact CG2-CG 4.43Å; I139-W143 HydrophobicContact CG2-CH2 4.08Å; I139-W143 HydrophobicContact CG2-CZ2 3.67Å; I139-W143 HydrophobicContact CG2-CZ3 4.34Å; I139-W143 WeakPolarHBondContact O-CB 3.3Å; I139-W143 VanDerWaalsContact O-CG 3.31Å; I139-W143 PolarHBondContact O-N 2.96Å |
| 140 | Y | 90.1 | Very high | 80.6 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.5 | -41.2 | 179.2 | -79.1 | -16.4 | 0 | 0 | 0 | 113.2 | M116 I119 T120 L123 S136 Y142 W143 I144 L178 S181 L182 | M116-Y140 WeakPolarHBondContact CA-OH 3.45Å; M116-Y140 HydrophobicContact CE-CE1 4.4Å; M116-Y140 HydrophobicContact CG-CE1 4.19Å; M116-Y140 PolarHBondContact O-OH 3.43Å; I119-Y140 HydrophobicContact CB-CE1 3.96Å; I119-Y140 HydrophobicContact CB-CE2 4.26Å; I119-Y140 HydrophobicContact CD1-CD1 4.4Å; I119-Y140 HydrophobicContact CD1-CE1 3.91Å; I119-Y140 HydrophobicContact CG2-CD1 3.91Å; I119-Y140 HydrophobicContact CG2-CD2 3.87Å; I119-Y140 HydrophobicContact CG2-CE1 3.63Å; I119-Y140 HydrophobicContact CG2-CE2 3.55Å; I119-Y140 HydrophobicContact CG2-CG 4.04Å; I119-Y140 VanDerWaalsContact CG2-CZ 3.46Å; T120-Y140 PolarHBondContact OG1-OH 3.46Å; L123-Y140 HydrophobicContact CD1-CD2 3.95Å; L123-Y140 HydrophobicContact CD1-CE2 3.92Å; S136-Y140 PolarHBondContact O-N 2.9Å; Y140-Y142 VanDerWaalsContact C-N 3.33Å; Y140-Y142 PolarHBondContact O-N 2.94Å; Y140-W143 AromaticContact CD1-CE3 3.89Å; Y140-W143 HydrophobicContact CD1-CE3 3.89Å; Y140-W143 HydrophobicContact CD1-CZ3 4.21Å; Y140-W143 HydrophobicContact CE1-CE3 4.14Å; Y140-W143 HydrophobicContact CE1-CZ3 4.03Å; Y140-W143 PolarHBondContact O-N 3.19Å; Y140-I144 WeakPolarHBondContact O-CB 3.49Å; Y140-I144 VanDerWaalsContact O-CG1 3.25Å; Y140-I144 WeakPolarHBondContact O-CG1 3.16Å; Y140-I144 PolarHBondContact O-N 2.97Å; Y140-L178 HydrophobicContact CD1-CD2 3.57Å; Y140-L178 HydrophobicContact CE1-CD2 3.72Å; Y140-L178 HydrophobicContact CG-CD2 4.34Å; Y140-S181 VanDerWaalsContact CE2-CB 3.49Å; Y140-L182 HydrophobicContact CD2-CB 4.25Å; Y140-L182 HydrophobicContact CD2-CD1 4.16Å |
| 141 | C | 87.8 | Confident | 79 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.007 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.3 | -41.8 | 175.1 | -68.6 | 0 | 0 | 0 | 0 | 111.3 | A137 H138 I144 K145 L248 A252 | A137-C141 VanDerWaalsContact O-CB 3.31Å; A137-C141 WeakPolarHBondContact O-CB 3.41Å; A137-C141 PolarHBondContact O-N 3.16Å; A137-C141 PolarHBondContact O-SG 2.65Å; H138-C141 PolarHBondContact O-N 2.95Å; C141-I144 PolarHBondContact O-N 3.33Å; C141-K145 WeakPolarHBondContact O-CB 3.12Å; C141-K145 WeakPolarHBondContact O-CG 3.22Å; C141-K145 PolarHBondContact O-N 2.95Å; C141-L248 HydrophobicContact CB-CD2 3.82Å; C141-L248 HydrophobicContact CB-CG 3.96Å; C141-A252 HydrophobicContact CB-CB 3.85Å |
| 142 | Y | 84.8 | Confident | 77.3 | Confident | 43 Ų | 43 | 37 Ų | 37 | 17% | 0.169 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.3 | -46.4 | 174.4 | 179 | -105.6 | 0 | 0 | 0 | 111.8 | D49 H138 I139 Y140 I144 K145 C146 I163 | D49-Y142 HydrophobicContact CB-CD2 3.8Å; D49-Y142 HydrophobicContact CB-CE2 3.42Å; D49-Y142 VanDerWaalsContact CB-CE2 3.42Å; H138-Y142 WeakPolarHBondContact O-CB 3.48Å; H138-Y142 PolarHBondContact O-N 2.71Å; I139-Y142 PolarHBondContact O-N 3.36Å; Y140-Y142 VanDerWaalsContact C-N 3.33Å; Y140-Y142 PolarHBondContact O-N 2.94Å; Y142-I144 PolarHBondContact O-N 3.49Å; Y142-K145 PolarHBondContact O-N 3.44Å; Y142-C146 WeakPolarHBondContact O-CB 3.44Å; Y142-C146 PolarHBondContact O-N 2.96Å; Y142-C146 PolarHBondContact O-SG 3.22Å; Y142-I163 HydrophobicContact CE1-CG1 4.42Å |
| 143 | W | 86.6 | Confident | 75.1 | Confident | 3 Ų | 3 | 42.5 Ų | 42.5 | 1% | 0.011 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.2 | -41.7 | 176.2 | -70.5 | -4 | 0 | 0 | 0 | 112.3 | V46 L112 V115 M116 I119 I139 Y140 C146 L147 P164 L167 L178 | V46-W143 HydrophobicContact CG1-CZ2 4.08Å; L112-W143 HydrophobicContact CD1-CH2 3.74Å; L112-W143 HydrophobicContact CD1-CZ3 3.76Å; V115-W143 HydrophobicContact CG1-CH2 4.33Å; M116-W143 HydrophobicContact CG-CZ3 4.13Å; I119-W143 HydrophobicContact CD1-CH2 3.64Å; I119-W143 HydrophobicContact CD1-CZ2 4.43Å; I119-W143 HydrophobicContact CD1-CZ3 3.82Å; I139-W143 HydrophobicContact CG2-CD2 3.86Å; I139-W143 HydrophobicContact CG2-CE3 4.23Å; I139-W143 HydrophobicContact CG2-CG 4.43Å; I139-W143 HydrophobicContact CG2-CH2 4.08Å; I139-W143 HydrophobicContact CG2-CZ2 3.67Å; I139-W143 HydrophobicContact CG2-CZ3 4.34Å; I139-W143 WeakPolarHBondContact O-CB 3.3Å; I139-W143 VanDerWaalsContact O-CG 3.31Å; I139-W143 PolarHBondContact O-N 2.96Å; Y140-W143 AromaticContact CD1-CE3 3.89Å; Y140-W143 HydrophobicContact CD1-CE3 3.89Å; Y140-W143 HydrophobicContact CD1-CZ3 4.21Å; Y140-W143 HydrophobicContact CE1-CE3 4.14Å; Y140-W143 HydrophobicContact CE1-CZ3 4.03Å; Y140-W143 PolarHBondContact O-N 3.19Å; W143-C146 PolarHBondContact O-N 3.2Å; W143-L147 WeakPolarHBondContact O-CG 3.34Å; W143-L147 PolarHBondContact O-N 3.31Å; W143-P164 HydrophobicContact CH2-CG 4.37Å; W143-P164 HydrophobicContact CZ2-CG 3.84Å; W143-L167 HydrophobicContact CB-CD1 4.44Å; W143-L167 HydrophobicContact CD2-CD1 3.95Å; W143-L167 HydrophobicContact CE3-CD1 3.88Å; W143-L167 HydrophobicContact CG-CD1 4.21Å; W143-L167 HydrophobicContact CZ3-CD1 4.44Å; W143-L178 HydrophobicContact CE3-CD2 3.77Å; W143-L178 HydrophobicContact CZ3-CD2 4.47Å |
| 144 | I | 84.9 | Confident | 72.7 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.5 | -49 | 175.2 | -72.3 | 164.7 | 0 | 0 | 0 | 111.3 | Y140 C141 Y142 C146 L147 L178 L179 L182 A252 L256 | Y140-I144 WeakPolarHBondContact O-CB 3.49Å; Y140-I144 VanDerWaalsContact O-CG1 3.25Å; Y140-I144 WeakPolarHBondContact O-CG1 3.16Å; Y140-I144 PolarHBondContact O-N 2.97Å; C141-I144 PolarHBondContact O-N 3.33Å; Y142-I144 PolarHBondContact O-N 3.49Å; I144-C146 PolarHBondContact O-N 2.84Å; I144-L147 WeakPolarHBondContact O-CB 3.21Å; I144-L147 WeakPolarHBondContact O-CG 3.46Å; I144-L147 PolarHBondContact O-N 2.73Å; I144-L147 VanDerWaalsContact O-N 3.1Å; I144-L178 HydrophobicContact CD1-CB 4.35Å; I144-L178 HydrophobicContact CG1-CB 4.12Å; I144-L178 HydrophobicContact CG1-CD1 4.36Å; I144-L179 HydrophobicContact CD1-CD2 4.03Å; I144-L182 HydrophobicContact CD1-CD2 3.89Å; I144-A252 HydrophobicContact CG2-CB 4.41Å; I144-L256 HydrophobicContact CG2-CB 4.08Å; I144-L256 HydrophobicContact CG2-CD1 4.44Å; I144-L256 HydrophobicContact CG2-CD2 4.06Å; I144-L256 HydrophobicContact CG2-CG 4.42Å |
| 145 | K | 77.8 | Confident | 70.4 | Confident | 51 Ų | 51 | 54.4 Ų | 54.4 | 22% | 0.222 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -56.1 | -39.9 | 176.4 | -71.5 | 169.2 | 162.6 | -93.3 | 0 | 111.8 | C141 Y142 L147 A252 E255 | C141-K145 WeakPolarHBondContact O-CB 3.12Å; C141-K145 WeakPolarHBondContact O-CG 3.22Å; C141-K145 PolarHBondContact O-N 2.95Å; Y142-K145 PolarHBondContact O-N 3.44Å; K145-L147 VanDerWaalsContact C-N 3.26Å; K145-L147 PolarHBondContact O-N 3.37Å; K145-A252 HydrophobicContact CD-CB 4.41Å; K145-A252 HydrophobicContact CG-CB 3.96Å; K145-E255 WeakPolarHBondContact CD-OE2 3.38Å; K145-E255 WeakPolarHBondContact CE-OE2 3.43Å; K145-E255 WeakPolarHBondContact CG-OE2 3.15Å; K145-E255 IonicContact NZ-OE1 2.78Å; K145-E255 PolarHBondContact NZ-OE1 3.45Å; K145-E255 IonicContact NZ-OE2 3.64Å; K145-E255 PolarHBondContact NZ-OE2 2.82Å |
| 146 | C | 74.9 | Confident | 67.7 | Low | 31 Ų | 31 | 60.7 Ų | 60.7 | 21% | 0.209 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -8.3 | -179.8 | -68.1 | 0 | 0 | 0 | 0 | 115.2 | Y142 W143 I144 N148 I163 | Y142-C146 WeakPolarHBondContact O-CB 3.44Å; Y142-C146 PolarHBondContact O-N 2.96Å; Y142-C146 PolarHBondContact O-SG 3.22Å; W143-C146 PolarHBondContact O-N 3.2Å; I144-C146 PolarHBondContact O-N 2.84Å; C146-N148 VanDerWaalsContact C-N 3.28Å; C146-I163 HydrophobicContact CB-CD1 3.6Å; C146-I163 HydrophobicContact CB-CG1 3.79Å; C146-I163 HydrophobicContact CB-CG2 4.4Å |
| 147 | L | 74.4 | Confident | 64.9 | Low | 16 Ų | 16 | 64.2 Ų | 64.2 | 8% | 0.084 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -26.4 | 176.4 | -58.7 | 175.4 | 0 | 0 | 0 | 112.2 | W143 I144 K145 S149 L167 P171 L175 L178 L256 | W143-L147 WeakPolarHBondContact O-CG 3.34Å; W143-L147 PolarHBondContact O-N 3.31Å; I144-L147 WeakPolarHBondContact O-CB 3.21Å; I144-L147 WeakPolarHBondContact O-CG 3.46Å; I144-L147 PolarHBondContact O-N 2.73Å; I144-L147 VanDerWaalsContact O-N 3.1Å; K145-L147 VanDerWaalsContact C-N 3.26Å; K145-L147 PolarHBondContact O-N 3.37Å; L147-S149 PolarHBondContact O-N 3.47Å; L147-L167 HydrophobicContact CD2-CD2 4.16Å; L147-P171 HydrophobicContact CB-CB 4.27Å; L147-P171 HydrophobicContact CD2-CB 3.62Å; L147-P171 HydrophobicContact CG-CB 4.46Å; L147-L175 HydrophobicContact CD1-CB 4.25Å; L147-L175 HydrophobicContact CD1-CD1 3.7Å; L147-L175 HydrophobicContact CD1-CG 4.49Å; L147-L178 HydrophobicContact CD1-CD1 4.31Å; L147-L256 HydrophobicContact CB-CD1 4.28Å; L147-L256 HydrophobicContact CD1-CD1 4.38Å |
| 148 | N | 65.9 | Low | 62.2 | Low | 10 Ų | 10 | 72.1 Ų | 72.1 | 5% | 0.053 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -81.4 | 108.3 | 175.5 | -81.8 | -13.1 | 0 | 0 | 0 | 110.5 | C146 S150 M151 E255 L256 V259 | C146-N148 VanDerWaalsContact C-N 3.28Å; N148-S150 PolarHBondContact O-N 3.5Å; N148-M151 PolarHBondContact O-N 2.95Å; N148-E255 PolarHBondContact ND2-O 2.89Å; N148-L256 WeakPolarHBondContact ND2-CA 3.3Å; N148-L256 PolarHBondContact ND2-O 3.5Å; N148-V259 HydrophobicContact CB-CB 4.32Å; N148-V259 HydrophobicContact CB-CG2 4.05Å |
| 149 | S | 56.2 | Low | 59.7 | Low | 73 Ų | 73 | 76.3 Ų | 76.3 | 51% | 0.51 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | 1.7 | -171.8 | 55.5 | 0 | 0 | 0 | 0 | 116.1 | L147 M151 Q262 | L147-S149 PolarHBondContact O-N 3.47Å; S149-M151 VanDerWaalsContact C-N 3.34Å; S149-Q262 PolarHBondContact OG-NE2 3.22Å; S149-Q262 PolarHBondContact OG-OE1 3.16Å |
| 150 | S | 51.2 | Low | 57.5 | Low | 89 Ų | 89 | 82.5 Ų | 82.5 | 62% | 0.622 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -22.4 | 172 | -171.7 | 0 | 0 | 0 | 0 | 113.8 | N148 R152 | N148-S150 PolarHBondContact O-N 3.5Å; S150-R152 VanDerWaalsContact C-N 3.29Å; S150-R152 PolarHBondContact O-N 3.31Å |
| 151 | M | 45.6 | Very low | 55.6 | Low | 152 Ų | 152 | 84.9 Ų | 84.9 | 75% | 0.749 | 49% | 0.49 | S | S | * | . | trans | -92.3 | 46.4 | 179.9 | -76.6 | -67.8 | 167.5 | 0 | 0 | 112.8 | N148 S149 P153 | N148-M151 PolarHBondContact O-N 2.95Å; S149-M151 VanDerWaalsContact C-N 3.34Å; M151-P153 WeakPolarHBondContact O-CD 3.33Å | ||
| 152 | R | 46.7 | Very low | 54.1 | Low | 201 Ų | 201 | 86.2 Ų | 86.2 | 76% | 0.758 | 50% | 0.498 | S | S | * | . | trans | -83.7 | 120.4 | 159.7 | -77.3 | -174 | 176.9 | 178.2 | 1.4 | 108.5 | S150 T154 | S150-R152 VanDerWaalsContact C-N 3.29Å; S150-R152 PolarHBondContact O-N 3.31Å; R152-T154 PolarHBondContact O-N 2.98Å | ||
| 153 | P | 40.1 | Very low | 53 | Low | 121 Ų | 121 | 86 Ų | 86 | 79% | 0.786 | 50% | 0.5 | S | S | * | . | trans | -61.9 | 107 | 166.5 | -17.7 | 31.1 | 0 | 0 | 0 | 108.5 | M151 Q155 | M151-P153 WeakPolarHBondContact O-CD 3.33Å; P153-Q155 PolarHBondContact O-N 2.72Å | ||
| 154 | T | 34.6 | Very low | 52.1 | Low | 129 Ų | 129 | 86 Ų | 86 | 79% | 0.791 | 50% | 0.5 | S | S | * | . | trans | -71.9 | 98.5 | 173.5 | 47.2 | 0 | 0 | 0 | 0 | 109.3 | R152 | R152-T154 PolarHBondContact O-N 2.98Š| ||
| 155 | Q | 34.3 | Very low | 51.2 | Low | 188 Ų | 188 | 89.9 Ų | 89.9 | 88% | 0.879 | 52% | 0.52 | S | S | * | . | S | Bend | trans | 57.9 | 65.8 | 156.5 | -57.6 | -178.4 | -3 | 0 | 0 | 117.4 | P153 | P153-Q155 PolarHBondContact O-N 2.72Š|
| 156 | T | 31.8 | Very low | 50.7 | Low | 132 Ų | 132 | 88.5 Ų | 88.5 | 81% | 0.81 | 52% | 0.515 | S | S | * | . | trans | -136.7 | 132.3 | 143.3 | 49.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 157 | G | 32.4 | Very low | 50.6 | Low | 75 Ų | 75 | 87.1 Ų | 87.1 | 77% | 0.773 | 51% | 0.506 | S | S | * | . | trans | -68.4 | 163.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 158 | N | 31 | Very low | 50.3 | Low | 165 Ų | 165 | 91.8 Ų | 91.8 | 88% | 0.882 | 53% | 0.527 | S | S | * | . | trans | 67.3 | 92.9 | -177.3 | -71.5 | -14.6 | 0 | 0 | 0 | 117.1 | ||||
| 159 | S | 35.4 | Very low | 50.5 | Low | 123 Ų | 123 | 98.2 Ų | 98.2 | 86% | 0.86 | 55% | 0.554 | S | S | * | * | -174.4 | 155.3 | 113.8 | 39.3 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 160 | N | 41.5 | Very low | 51.3 | Low | 130 Ų | 130 | 98.4 Ų | 98.4 | 70% | 0.695 | 55% | 0.547 | S | S | * | . | trans | -97.8 | 111.3 | -172.6 | -77.5 | -58.2 | 0 | 0 | 0 | 112.4 | V103 | V103-N160 HydrophobicContact CG2-CB 3.88Š| ||
| 161 | A | 49.8 | Very low | 52.2 | Low | 50 Ų | 50 | 96.1 Ų | 96.1 | 41% | 0.413 | 53% | 0.531 | S | S | . | . | trans | -141.1 | 124.1 | 159.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 162 | P | 55.9 | Low | 53.5 | Low | 28 Ų | 28 | 92.2 Ų | 92.2 | 18% | 0.182 | 51% | 0.51 | C | S | . | . | trans | -89.9 | 109.1 | 178.6 | 33.9 | -30.5 | 0 | 0 | 0 | 111 | V103 | V103-P162 HydrophobicContact CG1-CB 3.47Å; V103-P162 VanDerWaalsContact CG1-CB 3.47Å; V103-P162 HydrophobicContact CG1-CG 3.52Å | ||
| 163 | I | 62.4 | Low | 55 | Low | 39 Ų | 39 | 89.6 Ų | 89.6 | 20% | 0.2 | 50% | 0.5 | C | S | . | . | trans | -70.1 | 128.9 | 148.3 | -57.9 | 154.9 | 0 | 0 | 0 | 105.7 | Y142 C146 L165 L167 Q168 | Y142-I163 HydrophobicContact CE1-CG1 4.42Å; C146-I163 HydrophobicContact CB-CD1 3.6Å; C146-I163 HydrophobicContact CB-CG1 3.79Å; C146-I163 HydrophobicContact CB-CG2 4.4Å; I163-L165 PolarHBondContact O-N 3.49Å; I163-L167 HydrophobicContact CG2-CB 4.28Å; I163-Q168 HydrophobicContact CB-CG 4.16Å; I163-Q168 HydrophobicContact CG2-CG 3.7Å | ||
| 164 | P | 66.9 | Low | 57 | Low | 3 Ų | 3 | 84.1 Ų | 84.1 | 2% | 0.019 | 46% | 0.464 | C | S | . | . | trans | -54.4 | 130.9 | 177 | -28.3 | 37.4 | 0 | 0 | 0 | 111 | F106 L112 W143 I166 L167 Q168 | F106-P164 HydrophobicContact CB-CB 4.32Å; F106-P164 HydrophobicContact CD2-CB 3.99Å; F106-P164 HydrophobicContact CD2-CG 3.8Å; F106-P164 HydrophobicContact CE2-CG 4.34Å; L112-P164 HydrophobicContact CD1-CB 4.26Å; L112-P164 HydrophobicContact CD1-CG 4.1Å; W143-P164 HydrophobicContact CH2-CG 4.37Å; W143-P164 HydrophobicContact CZ2-CG 3.84Å; P164-I166 PolarHBondContact O-N 2.66Å; P164-I166 VanDerWaalsContact O-N 3.12Å; P164-L167 HydrophobicContact CB-CB 4.37Å; P164-L167 HydrophobicContact CB-CD1 4.05Å; P164-L167 HydrophobicContact CB-CG 4.44Å; P164-L167 HydrophobicContact CG-CD1 3.83Å; P164-L167 WeakPolarHBondContact O-CA 3.46Å; P164-L167 WeakPolarHBondContact O-CB 3.26Å; P164-L167 PolarHBondContact O-N 2.9Å; P164-Q168 PolarHBondContact O-N 2.67Å | ||
| 165 | L | 65.8 | Low | 59.5 | Low | 82 Ų | 82 | 78.1 Ų | 78.1 | 43% | 0.429 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60.8 | -31.5 | -171 | -159 | 87.4 | 0 | 0 | 0 | 111.8 | I163 Q168 K169 | I163-L165 PolarHBondContact O-N 3.49Å; L165-Q168 PolarHBondContact O-N 2.72Å; L165-K169 WeakPolarHBondContact O-CG 3.42Å; L165-K169 PolarHBondContact O-N 2.7Å |
| 166 | I | 69 | Low | 61.9 | Low | 21 Ų | 21 | 71.6 Ų | 71.6 | 11% | 0.108 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -67 | -33 | 176.2 | -146.2 | 75.8 | 0 | 0 | 0 | 112.5 | P109 L112 P164 K169 E170 F174 | P109-I166 HydrophobicContact CB-CG1 4.39Å; L112-I166 HydrophobicContact CB-CG2 4.22Å; L112-I166 HydrophobicContact CD2-CG2 3.41Å; L112-I166 VanDerWaalsContact CD2-CG2 3.41Å; L112-I166 HydrophobicContact CG-CG2 4.41Å; P164-I166 PolarHBondContact O-N 2.66Å; P164-I166 VanDerWaalsContact O-N 3.12Å; I166-K169 PolarHBondContact O-N 3.06Å; I166-E170 PolarHBondContact O-N 3.23Å; I166-F174 HydrophobicContact CG1-CE2 4.33Å; I166-F174 HydrophobicContact CG2-CE2 4.1Å; I166-F174 HydrophobicContact CG2-CZ 4.22Å |
| 167 | L | 71.7 | Confident | 64.5 | Low | 2 Ų | 2 | 66.7 Ų | 66.7 | 1% | 0.01 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -70.9 | -31.7 | 173.4 | -84.5 | 165.4 | 0 | 0 | 0 | 112 | L112 W143 L147 I163 P164 P171 F174 L178 | L112-L167 HydrophobicContact CD1-CD1 4.27Å; L112-L167 HydrophobicContact CD2-CD1 3.93Å; L112-L167 HydrophobicContact CD2-CD2 4.39Å; L112-L167 HydrophobicContact CD2-CG 3.73Å; W143-L167 HydrophobicContact CB-CD1 4.44Å; W143-L167 HydrophobicContact CD2-CD1 3.95Å; W143-L167 HydrophobicContact CE3-CD1 3.88Å; W143-L167 HydrophobicContact CG-CD1 4.21Å; W143-L167 HydrophobicContact CZ3-CD1 4.44Å; L147-L167 HydrophobicContact CD2-CD2 4.16Å; I163-L167 HydrophobicContact CG2-CB 4.28Å; P164-L167 HydrophobicContact CB-CB 4.37Å; P164-L167 HydrophobicContact CB-CD1 4.05Å; P164-L167 HydrophobicContact CB-CG 4.44Å; P164-L167 HydrophobicContact CG-CD1 3.83Å; P164-L167 WeakPolarHBondContact O-CA 3.46Å; P164-L167 WeakPolarHBondContact O-CB 3.26Å; P164-L167 PolarHBondContact O-N 2.9Å; L167-P171 VanDerWaalsContact O-CA 3.27Å; L167-P171 WeakPolarHBondContact O-CA 3.25Å; L167-P171 WeakPolarHBondContact O-CB 3.43Å; L167-F174 HydrophobicContact CD2-CB 3.49Å; L167-F174 VanDerWaalsContact CD2-CB 3.49Å; L167-F174 HydrophobicContact CD2-CD2 4.08Å; L167-F174 HydrophobicContact CD2-CG 3.95Å; L167-L178 HydrophobicContact CD2-CD1 3.94Å |
| 168 | Q | 68 | Low | 67.2 | Low | 114 Ų | 114 | 63.1 Ų | 63.1 | 53% | 0.533 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -72.8 | -30.7 | 171.8 | -66.8 | -170.7 | -12.5 | 0 | 0 | 113 | I163 P164 L165 | I163-Q168 HydrophobicContact CB-CG 4.16Å; I163-Q168 HydrophobicContact CG2-CG 3.7Å; P164-Q168 PolarHBondContact O-N 2.67Å; L165-Q168 PolarHBondContact O-N 2.72Å |
| 169 | K | 70.1 | Confident | 69.9 | Low | 145 Ų | 145 | 55.3 Ų | 55.3 | 63% | 0.63 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -79 | -42 | 178.7 | -75.9 | 178.7 | 176.3 | 177.9 | 0 | 113 | L165 I166 P171 | L165-K169 WeakPolarHBondContact O-CG 3.42Å; L165-K169 PolarHBondContact O-N 2.7Å; I166-K169 PolarHBondContact O-N 3.06Å; K169-P171 VanDerWaalsContact C-CD 3.44Å |
| 170 | E | 73.1 | Confident | 72.4 | Confident | 77 Ų | 77 | 49.4 Ų | 49.4 | 36% | 0.36 | 25% | 0.248 | S | C | . | . | trans | -129.2 | 56 | -173.9 | -61.3 | -176.6 | 177.5 | 0 | 0 | 112.2 | I166 Q172 R173 | I166-E170 PolarHBondContact O-N 3.23Å; E170-Q172 VanDerWaalsContact C-N 3.27Å; E170-Q172 PolarHBondContact O-N 3.21Å; E170-R173 HydrophobicContact CB-CB 4.02Å; E170-R173 WeakPolarHBondContact O-CB 3.5Å; E170-R173 PolarHBondContact O-N 3.4Å; E170-R173 IonicContact OE1-NH1 3.66Å; E170-R173 WeakPolarHBondContact OE2-CD 3.32Å; E170-R173 IonicContact OE2-CZ 3.22Å; E170-R173 IonicContact OE2-NE 3.52Å; E170-R173 IonicContact OE2-NH1 2.72Å; E170-R173 PolarHBondContact OE2-NH1 3.47Å | ||
| 171 | P | 70.7 | Confident | 74.6 | Confident | 42 Ų | 42 | 43.5 Ų | 43.5 | 27% | 0.273 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -57.5 | -39.7 | -171.8 | 22.1 | -33.8 | 0 | 0 | 0 | 113 | L147 L167 K169 R173 L175 | L147-P171 HydrophobicContact CB-CB 4.27Å; L147-P171 HydrophobicContact CD2-CB 3.62Å; L147-P171 HydrophobicContact CG-CB 4.46Å; L167-P171 VanDerWaalsContact O-CA 3.27Å; L167-P171 WeakPolarHBondContact O-CA 3.25Å; L167-P171 WeakPolarHBondContact O-CB 3.43Å; K169-P171 VanDerWaalsContact C-CD 3.44Å; P171-R173 VanDerWaalsContact C-N 3.31Å; P171-R173 PolarHBondContact O-N 3.44Å; P171-L175 PolarHBondContact O-N 3.41Å |
| 172 | Q | 72.7 | Confident | 76.4 | Confident | 69 Ų | 69 | 41.1 Ų | 41.1 | 32% | 0.322 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -59.5 | -35.2 | 176.8 | -77.4 | -75.7 | -47.8 | 0 | 0 | 113.6 | E170 Q262 T264 S267 | E170-Q172 VanDerWaalsContact C-N 3.27Å; E170-Q172 PolarHBondContact O-N 3.21Å; Q172-Q262 PolarHBondContact NE2-O 3.46Å; Q172-T264 PolarHBondContact OE1-OG1 3.25Å; Q172-S267 VanDerWaalsContact CD-OG 3.24Å; Q172-S267 PolarHBondContact NE2-OG 2.89Å; Q172-S267 PolarHBondContact OE1-OG 2.82Å |
| 173 | R | 78.8 | Confident | 77.7 | Confident | 146 Ų | 146 | 39.8 Ų | 39.8 | 55% | 0.551 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -72.2 | -33.1 | -172.4 | -170.8 | 179.3 | -172.8 | 174.4 | 3.6 | 112.9 | E170 P171 | E170-R173 HydrophobicContact CB-CB 4.02Å; E170-R173 WeakPolarHBondContact O-CB 3.5Å; E170-R173 PolarHBondContact O-N 3.4Å; E170-R173 IonicContact OE1-NH1 3.66Å; E170-R173 WeakPolarHBondContact OE2-CD 3.32Å; E170-R173 IonicContact OE2-CZ 3.22Å; E170-R173 IonicContact OE2-NE 3.52Å; E170-R173 IonicContact OE2-NH1 2.72Å; E170-R173 PolarHBondContact OE2-NH1 3.47Å; P171-R173 VanDerWaalsContact C-N 3.31Å; P171-R173 PolarHBondContact O-N 3.44Å |
| 174 | F | 82.2 | Confident | 78.6 | Confident | 6 Ų | 6 | 38.3 Ų | 38.3 | 3% | 0.026 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -98.2 | -13.4 | -177.8 | -65.4 | -83.7 | 0 | 0 | 0 | 113.4 | P109 L112 M116 I166 L167 K176 S177 L178 | P109-F174 HydrophobicContact CB-CZ 4.04Å; L112-F174 HydrophobicContact CD2-CD1 3.92Å; L112-F174 HydrophobicContact CD2-CD2 4.47Å; L112-F174 HydrophobicContact CD2-CE1 3.83Å; L112-F174 HydrophobicContact CD2-CE2 4.39Å; L112-F174 HydrophobicContact CD2-CG 4.25Å; L112-F174 HydrophobicContact CD2-CZ 4.08Å; M116-F174 HydrophobicContact SD-CD1 4.25Å; I166-F174 HydrophobicContact CG1-CE2 4.33Å; I166-F174 HydrophobicContact CG2-CE2 4.1Å; I166-F174 HydrophobicContact CG2-CZ 4.22Å; L167-F174 HydrophobicContact CD2-CB 3.49Å; L167-F174 VanDerWaalsContact CD2-CB 3.49Å; L167-F174 HydrophobicContact CD2-CD2 4.08Å; L167-F174 HydrophobicContact CD2-CG 3.95Å; F174-K176 VanDerWaalsContact C-N 3.33Å; F174-K176 PolarHBondContact O-N 3.41Å; F174-S177 WeakPolarHBondContact O-CB 3.44Å; F174-S177 PolarHBondContact O-N 3.11Å; F174-S177 VanDerWaalsContact O-N 3.08Å; F174-L178 WeakPolarHBondContact O-CG 3.23Å; F174-L178 PolarHBondContact O-N 3.37Å |
| 175 | L | 85.2 | Confident | 79.4 | Confident | 4 Ų | 4 | 38.8 Ų | 38.8 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -54 | -45.4 | -179.5 | 175.6 | 61.4 | 0 | 0 | 0 | 112.7 | L147 P171 S177 L178 L179 L256 L263 | L147-L175 HydrophobicContact CD1-CB 4.25Å; L147-L175 HydrophobicContact CD1-CD1 3.7Å; L147-L175 HydrophobicContact CD1-CG 4.49Å; P171-L175 PolarHBondContact O-N 3.41Å; L175-S177 PolarHBondContact O-N 2.9Å; L175-L178 PolarHBondContact O-N 2.89Å; L175-L179 HydrophobicContact CD1-CD1 3.79Å; L175-L179 HydrophobicContact CD1-CG 3.99Å; L175-L179 HydrophobicContact CG-CD1 4.04Å; L175-L179 WeakPolarHBondContact O-CG 3.49Å; L175-L179 PolarHBondContact O-N 3.47Å; L175-L256 HydrophobicContact CD1-CD1 4.46Å; L175-L256 HydrophobicContact CD1-CD2 3.68Å; L175-L256 HydrophobicContact CD2-CD2 4.41Å; L175-L263 HydrophobicContact CD2-CD2 4.07Å |
| 176 | K | 85.7 | Confident | 79.9 | Confident | 51 Ų | 51 | 35.5 Ų | 35.5 | 22% | 0.222 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.8 | -49.8 | 175.8 | -176.3 | 179 | -178.3 | -159.4 | 0 | 111 | Q19 Y23 F174 L178 L179 F180 | Q19-K176 VanDerWaalsContact OE1-NZ 3.16Å; Y23-K176 VanDerWaalsContact OH-CD 3.3Å; Y23-K176 WeakPolarHBondContact OH-CD 3.36Å; Y23-K176 VanDerWaalsContact OH-CE 3.24Å; Y23-K176 WeakPolarHBondContact OH-CE 3.28Å; Y23-K176 PolarHBondContact OH-NZ 2.9Å; F174-K176 VanDerWaalsContact C-N 3.33Å; F174-K176 PolarHBondContact O-N 3.41Å; K176-L178 PolarHBondContact O-N 2.67Å; K176-L179 PolarHBondContact O-N 3.34Å; K176-F180 HydrophobicContact CG-CD2 3.91Å; K176-F180 HydrophobicContact CG-CE2 4.03Å; K176-F180 HydrophobicContact CG-CG 4.43Å; K176-F180 WeakPolarHBondContact O-CB 3.37Å; K176-F180 VanDerWaalsContact O-CD2 3.22Å; K176-F180 WeakPolarHBondContact O-CD2 3.5Å; K176-F180 PolarHBondContact O-N 2.96Å |
| 177 | S | 86.6 | Confident | 79.8 | Confident | 29 Ų | 29 | 35.6 Ų | 35.6 | 20% | 0.203 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.4 | -43.1 | 178.5 | -61.7 | 0 | 0 | 0 | 0 | 112.3 | Y23 F174 L175 F180 S181 | Y23-S177 VanDerWaalsContact CE1-OG 3.32Å; Y23-S177 WeakPolarHBondContact CE1-OG 3.46Å; F174-S177 WeakPolarHBondContact O-CB 3.44Å; F174-S177 PolarHBondContact O-N 3.11Å; F174-S177 VanDerWaalsContact O-N 3.08Å; L175-S177 PolarHBondContact O-N 2.9Å; S177-F180 PolarHBondContact O-N 3.34Å; S177-S181 WeakPolarHBondContact O-CB 3.12Å; S177-S181 PolarHBondContact O-N 2.67Å; S177-S181 PolarHBondContact O-OG 3.48Å; S177-S181 VanDerWaalsContact O-OG 3.08Å |
| 178 | L | 88.5 | Confident | 79.1 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.5 | -47.5 | 179 | -69.9 | 169.1 | 0 | 0 | 0 | 112 | M116 Y140 W143 I144 L147 L167 F174 L175 K176 L182 | M116-L178 HydrophobicContact CE-CD2 3.72Å; M116-L178 HydrophobicContact CE-CG 4.06Å; M116-L178 HydrophobicContact SD-CD2 4.33Å; Y140-L178 HydrophobicContact CD1-CD2 3.57Å; Y140-L178 HydrophobicContact CE1-CD2 3.72Å; Y140-L178 HydrophobicContact CG-CD2 4.34Å; W143-L178 HydrophobicContact CE3-CD2 3.77Å; W143-L178 HydrophobicContact CZ3-CD2 4.47Å; I144-L178 HydrophobicContact CD1-CB 4.35Å; I144-L178 HydrophobicContact CG1-CB 4.12Å; I144-L178 HydrophobicContact CG1-CD1 4.36Å; L147-L178 HydrophobicContact CD1-CD1 4.31Å; L167-L178 HydrophobicContact CD2-CD1 3.94Å; F174-L178 WeakPolarHBondContact O-CG 3.23Å; F174-L178 PolarHBondContact O-N 3.37Å; L175-L178 PolarHBondContact O-N 2.89Å; K176-L178 PolarHBondContact O-N 2.67Å; L178-L182 VanDerWaalsContact O-CB 3.22Å; L178-L182 WeakPolarHBondContact O-CB 3.37Å; L178-L182 PolarHBondContact O-N 3.18Å |
| 179 | L | 88.3 | Confident | 78.7 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.7 | -49.2 | 177.7 | -68.9 | 171.4 | 0 | 0 | 0 | 111.3 | I144 L175 K176 S181 L182 T183 C270 I271 F274 | I144-L179 HydrophobicContact CD1-CD2 4.03Å; L175-L179 HydrophobicContact CD1-CD1 3.79Å; L175-L179 HydrophobicContact CD1-CG 3.99Å; L175-L179 HydrophobicContact CG-CD1 4.04Å; L175-L179 WeakPolarHBondContact O-CG 3.49Å; L175-L179 PolarHBondContact O-N 3.47Å; K176-L179 PolarHBondContact O-N 3.34Å; L179-S181 PolarHBondContact O-N 2.77Å; L179-L182 WeakPolarHBondContact O-CB 3.23Å; L179-L182 PolarHBondContact O-N 3.12Å; L179-L182 VanDerWaalsContact O-N 3.12Å; L179-T183 PolarHBondContact O-N 3.24Å; L179-T183 VanDerWaalsContact O-N 3.09Å; L179-T183 PolarHBondContact O-OG1 3.18Å; L179-T183 VanDerWaalsContact O-OG1 3.14Å; L179-C270 HydrophobicContact CD1-CB 4.45Å; L179-I271 HydrophobicContact CD1-CG1 3.77Å; L179-F274 HydrophobicContact CB-CB 4.17Å; L179-F274 HydrophobicContact CB-CD2 3.8Å; L179-F274 HydrophobicContact CB-CE2 4.38Å; L179-F274 HydrophobicContact CB-CG 4.04Å; L179-F274 HydrophobicContact CD2-CD1 3.9Å; L179-F274 HydrophobicContact CD2-CD2 4.12Å; L179-F274 HydrophobicContact CD2-CE1 4.04Å; L179-F274 HydrophobicContact CD2-CE2 4.24Å; L179-F274 HydrophobicContact CD2-CG 3.92Å; L179-F274 HydrophobicContact CD2-CZ 4.18Å; L179-F274 HydrophobicContact CG-CG 4.46Å; L179-F274 WeakPolarHBondContact O-CD2 3.17Å; L179-F274 WeakPolarHBondContact O-CE2 3.37Å |
| 180 | F | 86.5 | Confident | 77.6 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -68.7 | -33.3 | -176.4 | -79.9 | -122.3 | 0 | 0 | 0 | 112.3 | T16 Q19 L20 Y23 K176 S177 T183 Y184 C270 R273 | T16-F180 HydrophobicContact CG2-CE1 4.29Å; T16-F180 HydrophobicContact CG2-CZ 4.31Å; Q19-F180 HydrophobicContact CB-CE1 4.23Å; L20-F180 HydrophobicContact CB-CD1 4.14Å; Y23-F180 HydrophobicContact CD2-CB 3.56Å; Y23-F180 AromaticContact CD2-CD1 3.84Å; Y23-F180 HydrophobicContact CD2-CD1 3.84Å; Y23-F180 HydrophobicContact CD2-CG 4.02Å; Y23-F180 HydrophobicContact CE2-CB 4.04Å; Y23-F180 AromaticContact CE2-CD1 3.83Å; Y23-F180 HydrophobicContact CE2-CD1 3.83Å; Y23-F180 HydrophobicContact CE2-CG 4.08Å; Y23-F180 HydrophobicContact CG-CB 3.94Å; K176-F180 HydrophobicContact CG-CD2 3.91Å; K176-F180 HydrophobicContact CG-CE2 4.03Å; K176-F180 HydrophobicContact CG-CG 4.43Å; K176-F180 WeakPolarHBondContact O-CB 3.37Å; K176-F180 VanDerWaalsContact O-CD2 3.22Å; K176-F180 WeakPolarHBondContact O-CD2 3.5Å; K176-F180 PolarHBondContact O-N 2.96Å; S177-F180 PolarHBondContact O-N 3.34Å; F180-T183 VanDerWaalsContact C-OG1 3.26Å; F180-T183 VanDerWaalsContact CA-OG1 3.3Å; F180-T183 WeakPolarHBondContact CA-OG1 3.37Å; F180-T183 PolarHBondContact O-OG1 2.62Å; F180-Y184 WeakPolarHBondContact O-CD2 3.16Å; F180-C270 HydrophobicContact CE2-CB 4.41Å; F180-R273 HydrophobicContact CZ-CB 4.2Å |
| 181 | S | 87.7 | Confident | 76.2 | Confident | 5 Ų | 5 | 34 Ų | 34 | 4% | 0.035 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.2 | -41.2 | 168.5 | -73.7 | 0 | 0 | 0 | 0 | 112.2 | T120 L123 Y140 S177 L179 T183 Y184 | T120-S181 WeakPolarHBondContact OG1-CB 3.45Å; T120-S181 PolarHBondContact OG1-OG 2.62Å; L123-S181 WeakPolarHBondContact CD1-O 3.48Å; Y140-S181 VanDerWaalsContact CE2-CB 3.49Å; S177-S181 WeakPolarHBondContact O-CB 3.12Å; S177-S181 PolarHBondContact O-N 2.67Å; S177-S181 PolarHBondContact O-OG 3.48Å; S177-S181 VanDerWaalsContact O-OG 3.08Å; L179-S181 PolarHBondContact O-N 2.77Å; S181-T183 VanDerWaalsContact C-N 3.28Å; S181-T183 PolarHBondContact O-N 2.9Å; S181-Y184 WeakPolarHBondContact O-CB 3.18Å; S181-Y184 PolarHBondContact O-N 3.34Å |
| 182 | L | 88.4 | Confident | 74.5 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65 | -29.6 | 179.9 | -172.4 | 65.4 | 0 | 0 | 0 | 112.6 | L123 Y140 I144 L178 L179 Y184 Y185 V249 F274 | L123-L182 HydrophobicContact CD1-CD1 4.35Å; Y140-L182 HydrophobicContact CD2-CB 4.25Å; Y140-L182 HydrophobicContact CD2-CD1 4.16Å; I144-L182 HydrophobicContact CD1-CD2 3.89Å; L178-L182 VanDerWaalsContact O-CB 3.22Å; L178-L182 WeakPolarHBondContact O-CB 3.37Å; L178-L182 PolarHBondContact O-N 3.18Å; L179-L182 WeakPolarHBondContact O-CB 3.23Å; L179-L182 PolarHBondContact O-N 3.12Å; L179-L182 VanDerWaalsContact O-N 3.12Å; L182-Y184 PolarHBondContact O-N 3.1Å; L182-Y185 WeakPolarHBondContact O-CB 3.41Å; L182-Y185 PolarHBondContact O-N 3.22Å; L182-Y185 VanDerWaalsContact O-N 3.16Å; L182-V249 HydrophobicContact CD1-CG2 4.41Å; L182-V249 HydrophobicContact CD2-CG1 4.12Å; L182-V249 HydrophobicContact CD2-CG2 4.14Å; L182-V249 HydrophobicContact CG-CG2 4.42Å; L182-F274 HydrophobicContact CB-CE2 4.02Å; L182-F274 HydrophobicContact CB-CZ 4.48Å; L182-F274 HydrophobicContact CD2-CE2 4.16Å; L182-F274 HydrophobicContact CD2-CZ 3.8Å; L182-F274 HydrophobicContact CG-CE2 4.23Å; L182-F274 HydrophobicContact CG-CZ 4.23Å |
| 183 | T | 83.4 | Confident | 72.5 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -60.6 | -22.1 | 173.9 | 15 | 0 | 0 | 0 | 0 | 114.5 | L20 L179 F180 S181 Y185 F186 L187 F274 I277 I278 | L20-T183 VanDerWaalsContact CD1-OG1 3.25Å; L20-T183 WeakPolarHBondContact CD1-OG1 3.45Å; L179-T183 PolarHBondContact O-N 3.24Å; L179-T183 VanDerWaalsContact O-N 3.09Å; L179-T183 PolarHBondContact O-OG1 3.18Å; L179-T183 VanDerWaalsContact O-OG1 3.14Å; F180-T183 VanDerWaalsContact C-OG1 3.26Å; F180-T183 VanDerWaalsContact CA-OG1 3.3Å; F180-T183 WeakPolarHBondContact CA-OG1 3.37Å; F180-T183 PolarHBondContact O-OG1 2.62Å; S181-T183 VanDerWaalsContact C-N 3.28Å; S181-T183 PolarHBondContact O-N 2.9Å; T183-Y185 PolarHBondContact O-N 3.1Å; T183-F186 PolarHBondContact O-N 3.16Å; T183-L187 PolarHBondContact O-N 3.3Å; T183-F274 HydrophobicContact CG2-CD2 3.66Å; T183-F274 HydrophobicContact CG2-CE2 3.89Å; T183-I277 HydrophobicContact CG2-CB 3.75Å; T183-I277 HydrophobicContact CG2-CD1 4.21Å; T183-I277 HydrophobicContact CG2-CG2 3.46Å; T183-I277 VanDerWaalsContact CG2-CG2 3.46Å; T183-I278 HydrophobicContact CG2-CD1 4.48Å; T183-I278 HydrophobicContact CG2-CG1 3.88Å |
| 184 | Y | 82.2 | Confident | 70.1 | Confident | 8 Ų | 8 | 40.4 Ų | 40.4 | 3% | 0.031 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -65 | -18.6 | 175.1 | -79.1 | -88.6 | 0 | 0 | 0 | 114 | L20 E24 T120 T124 F180 S181 L182 F186 L187 | L20-Y184 HydrophobicContact CD2-CE1 4.15Å; L20-Y184 HydrophobicContact CD2-CE2 3.81Å; L20-Y184 HydrophobicContact CG-CE2 3.99Å; L20-Y184 PolarHBondContact O-OH 3.41Å; E24-Y184 WeakPolarHBondContact CA-OH 3.34Å; E24-Y184 WeakPolarHBondContact CB-OH 3.43Å; E24-Y184 HydrophobicContact CG-CE1 4.31Å; E24-Y184 PolarHBondContact N-OH 3.22Å; T120-Y184 HydrophobicContact CG2-CD2 3.79Å; T120-Y184 HydrophobicContact CG2-CE2 4.31Å; T120-Y184 HydrophobicContact CG2-CG 4.12Å; T124-Y184 HydrophobicContact CG2-CD1 4.02Å; T124-Y184 HydrophobicContact CG2-CG 4.33Å; F180-Y184 WeakPolarHBondContact O-CD2 3.16Å; S181-Y184 WeakPolarHBondContact O-CB 3.18Å; S181-Y184 PolarHBondContact O-N 3.34Å; L182-Y184 PolarHBondContact O-N 3.1Å; Y184-F186 VanDerWaalsContact C-N 3.25Å; Y184-F186 PolarHBondContact O-N 2.99Å; Y184-L187 HydrophobicContact CD1-CD1 4.11Å; Y184-L187 HydrophobicContact CE1-CD1 4.34Å; Y184-L187 HydrophobicContact CG-CD1 4.46Å |
| 185 | Y | 82.5 | Confident | 67.5 | Low | 13 Ų | 13 | 42.9 Ų | 42.9 | 5% | 0.051 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -62 | -34.5 | 169.8 | 175.2 | -98.4 | 0 | 0 | 0 | 112.8 | L123 W130 I133 L182 T183 Q242 I245 | L123-Y185 HydrophobicContact CD2-CD2 4.46Å; W130-Y185 HydrophobicContact CH2-CE2 4.18Å; W130-Y185 WeakPolarHBondContact CH2-OH 3.46Å; I133-Y185 HydrophobicContact CG2-CD2 3.83Å; I133-Y185 HydrophobicContact CG2-CE2 3.67Å; L182-Y185 WeakPolarHBondContact O-CB 3.41Å; L182-Y185 PolarHBondContact O-N 3.22Å; L182-Y185 VanDerWaalsContact O-N 3.16Å; T183-Y185 PolarHBondContact O-N 3.1Å; Y185-Q242 WeakPolarHBondContact OH-CA 3.45Å; Y185-I245 HydrophobicContact CD1-CG2 4.22Å; Y185-I245 HydrophobicContact CD2-CG2 4.39Å; Y185-I245 HydrophobicContact CE1-CB 4.29Å; Y185-I245 HydrophobicContact CE1-CG2 3.76Å; Y185-I245 HydrophobicContact CE2-CB 4.45Å; Y185-I245 HydrophobicContact CE2-CD1 3.74Å; Y185-I245 HydrophobicContact CE2-CG2 3.94Å |
| 186 | F | 75.7 | Confident | 64.7 | Low | 13 Ų | 13 | 48.8 Ų | 48.8 | 6% | 0.057 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -14.1 | -172.9 | -61.6 | -95.2 | 0 | 0 | 0 | 112.9 | T183 Y184 I246 V249 I278 A281 I282 | T183-F186 PolarHBondContact O-N 3.16Å; Y184-F186 VanDerWaalsContact C-N 3.25Å; Y184-F186 PolarHBondContact O-N 2.99Å; F186-I246 HydrophobicContact CE1-CD1 4.39Å; F186-I246 HydrophobicContact CE1-CG1 3.9Å; F186-I246 HydrophobicContact CZ-CG1 4.45Å; F186-V249 HydrophobicContact CE2-CG1 4.42Å; F186-V249 HydrophobicContact CE2-CG2 4.4Å; F186-V249 HydrophobicContact CZ-CB 4.39Å; F186-V249 HydrophobicContact CZ-CG1 4.18Å; F186-V249 HydrophobicContact CZ-CG2 4.21Å; F186-I278 HydrophobicContact CD1-CB 4.42Å; F186-I278 HydrophobicContact CD1-CD1 4.5Å; F186-I278 HydrophobicContact CD1-CG1 4.11Å; F186-I278 HydrophobicContact CD1-CG2 3.82Å; F186-I278 HydrophobicContact CD2-CD1 3.81Å; F186-I278 HydrophobicContact CD2-CG1 3.71Å; F186-I278 HydrophobicContact CE1-CB 4.48Å; F186-I278 HydrophobicContact CE1-CD1 4.1Å; F186-I278 HydrophobicContact CE1-CG1 4.17Å; F186-I278 HydrophobicContact CE1-CG2 3.61Å; F186-I278 HydrophobicContact CE2-CD1 3.37Å; F186-I278 HydrophobicContact CE2-CG1 3.82Å; F186-I278 HydrophobicContact CG-CD1 4.36Å; F186-I278 HydrophobicContact CG-CG1 3.87Å; F186-I278 HydrophobicContact CG-CG2 4.44Å; F186-I278 HydrophobicContact CZ-CD1 3.54Å; F186-I278 HydrophobicContact CZ-CG1 4.05Å; F186-I278 HydrophobicContact CZ-CG2 4.11Å; F186-A281 HydrophobicContact CB-CB 4Å; F186-A281 WeakPolarHBondContact O-CB 3.42Å; F186-I282 HydrophobicContact CD1-CD1 3.87Å; F186-I282 HydrophobicContact CD1-CG1 4.46Å; F186-I282 HydrophobicContact CE1-CD1 3.99Å |
| 187 | L | 68.3 | Low | 62 | Low | 22 Ų | 22 | 51.9 Ų | 51.9 | 12% | 0.115 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -82.3 | 152.2 | -179.3 | -72.2 | 171.1 | 0 | 0 | 0 | 111.7 | Y17 L20 T183 Y184 R189 | Y17-L187 HydrophobicContact CE2-CD2 4.37Å; L20-L187 HydrophobicContact CD1-CD1 4.43Å; L20-L187 HydrophobicContact CD2-CD1 3.58Å; T183-L187 PolarHBondContact O-N 3.3Å; Y184-L187 HydrophobicContact CD1-CD1 4.11Å; Y184-L187 HydrophobicContact CE1-CD1 4.34Å; Y184-L187 HydrophobicContact CG-CD1 4.46Å; L187-R189 PolarHBondContact O-N 2.96Å |
| 188 | P | 56.6 | Low | 59.5 | Low | 38 Ų | 38 | 53.3 Ų | 53.3 | 25% | 0.247 | 29% | 0.29 | C | S | . | . | trans | -56 | 138.2 | 171.6 | -22.5 | 33.3 | 0 | 0 | 0 | 111.5 | M1 D190 F202 | M1-P188 HydrophobicContact CE-CG 4Å; M1-P188 HydrophobicContact CG-CG 4.24Å; M1-P188 HydrophobicContact SD-CG 4.16Å; P188-D190 PolarHBondContact O-N 3.11Å; P188-F202 HydrophobicContact CG-CE2 4.33Å | ||
| 189 | R | 59.2 | Low | 57 | Low | 85 Ų | 85 | 57 Ų | 57 | 32% | 0.321 | 31% | 0.307 | S | S | . | . | trans | -87.7 | 106.4 | -177.6 | -61.6 | -179.6 | 179.7 | 179.7 | 1.2 | 109.9 | L123 T124 M125 L187 | L123-R189 PolarHBondContact O-NH2 3.33Å; T124-R189 WeakPolarHBondContact O-CD 3.32Å; M125-R189 VanDerWaalsContact O-CD 3.27Å; M125-R189 WeakPolarHBondContact O-CD 3.39Å; M125-R189 PolarHBondContact O-NH1 2.92Å; L187-R189 PolarHBondContact O-N 2.96Å | ||
| 190 | D | 47.6 | Very low | 54.4 | Low | 80 Ų | 80 | 62.5 Ų | 62.5 | 43% | 0.428 | 34% | 0.335 | S | S | . | . | trans | -95.9 | 152.3 | 170.4 | -104.4 | -51.5 | 0 | 0 | 0 | 109.9 | R28 P188 E192 | R28-D190 PolarHBondContact NH2-O 3.04Å; P188-D190 PolarHBondContact O-N 3.11Å; D190-E192 PolarHBondContact OD1-N 2.81Å | ||
| 191 | P | 42.3 | Very low | 52 | Low | 101 Ų | 101 | 65.5 Ų | 65.5 | 66% | 0.656 | 35% | 0.35 | S | S | * | . | cis | -112 | 127.6 | 31.5 | 36.5 | -28.5 | 0 | 0 | 0 | 115.8 | ||||
| 192 | E | 35.5 | Very low | 49.7 | Very low | 99 Ų | 99 | 66.4 Ų | 66.4 | 46% | 0.463 | 35% | 0.353 | S | S | . | . | trans | -153.4 | 97 | 146.1 | -133.9 | 179.1 | -120.3 | 0 | 0 | 112.2 | D190 L194 S195 | D190-E192 PolarHBondContact OD1-N 2.81Å; E192-L194 PolarHBondContact O-N 3.04Å; E192-S195 VanDerWaalsContact CD-OG 3.23Å; E192-S195 PolarHBondContact OE2-OG 3.18Å | ||
| 193 | P | 30.4 | Very low | 47.1 | Very low | 111 Ų | 111 | 68.2 Ų | 68.2 | 72% | 0.721 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -73.9 | 120.4 | 170 | 30.3 | -31 | 0 | 0 | 0 | 109.8 | ||
| 194 | L | 28.3 | Very low | 44.9 | Very low | 182 Ų | 182 | 70.3 Ų | 70.3 | 95% | 0.953 | 38% | 0.379 | S | S | * | . | S | Bend | trans | 77.9 | 20 | 160.8 | -54.8 | 165.1 | 0 | 0 | 0 | 119 | E192 | E192-L194 PolarHBondContact O-N 3.04Š|
| 195 | S | 27.6 | Very low | 42.6 | Very low | 59 Ų | 59 | 71.3 Ų | 71.3 | 41% | 0.413 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -130 | 113.3 | 162.6 | 43.9 | 0 | 0 | 0 | 0 | 112.4 | E192 Q197 | E192-S195 VanDerWaalsContact CD-OG 3.23Å; E192-S195 PolarHBondContact OE2-OG 3.18Å; S195-Q197 WeakPolarHBondContact O-CB 3.42Å; S195-Q197 PolarHBondContact O-N 3.29Å |
| 196 | D | 27.1 | Very low | 40.3 | Very low | 127 Ų | 127 | 72.3 Ų | 72.3 | 68% | 0.679 | 40% | 0.399 | S | S | * | . | S | Bend | trans | 36.2 | 14.2 | 146.9 | -106.8 | -54.2 | 0 | 0 | 0 | 122.3 | K199 | D196-K199 WeakPolarHBondContact O-CD 3.39Å; D196-K199 WeakPolarHBondContact O-CE 3.47Å; D196-K199 VanDerWaalsContact O-CG 3.3Å; D196-K199 WeakPolarHBondContact O-CG 3.43Å; D196-K199 PolarHBondContact O-NZ 3.15Å; D196-K199 IonicContact OD1-NZ 3.78Å; D196-K199 PolarHBondContact OD1-NZ 3.33Å |
| 197 | Q | 30.1 | Very low | 38.3 | Very low | 117 Ų | 117 | 77.6 Ų | 77.6 | 55% | 0.547 | 42% | 0.424 | S | S | . | . | trans | -126 | 30.6 | -168.7 | -71.6 | -115.6 | 30.8 | 0 | 0 | 117.2 | S195 K199 | S195-Q197 WeakPolarHBondContact O-CB 3.42Å; S195-Q197 PolarHBondContact O-N 3.29Å; Q197-K199 PolarHBondContact O-N 2.9Å | ||
| 198 | P | 33.1 | Very low | 36.5 | Very low | 58 Ų | 58 | 80.8 Ų | 80.8 | 38% | 0.377 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | 59.8 | 150.2 | 34.7 | -32 | 0 | 0 | 0 | 108.3 | F202 Y468 | P198-F202 WeakPolarHBondContact O-CB 3.49Å; P198-Y468 PolarHBondContact O-OH 2.77Å |
| 199 | K | 36.1 | Very low | 35.1 | Very low | 79 Ų | 79 | 85.4 Ų | 85.4 | 34% | 0.343 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.9 | -49.1 | -166.9 | -71.6 | -162.6 | 178.3 | 132.8 | 0 | 111.7 | D196 Q197 M201 F202 S203 T204 | D196-K199 WeakPolarHBondContact O-CD 3.39Å; D196-K199 WeakPolarHBondContact O-CE 3.47Å; D196-K199 VanDerWaalsContact O-CG 3.3Å; D196-K199 WeakPolarHBondContact O-CG 3.43Å; D196-K199 PolarHBondContact O-NZ 3.15Å; D196-K199 IonicContact OD1-NZ 3.78Å; D196-K199 PolarHBondContact OD1-NZ 3.33Å; Q197-K199 PolarHBondContact O-N 2.9Å; K199-M201 VanDerWaalsContact C-N 3.29Å; K199-M201 PolarHBondContact O-N 3.15Å; K199-F202 PolarHBondContact O-N 3.07Å; K199-S203 VanDerWaalsContact C-OG 3.23Å; K199-S203 WeakPolarHBondContact CA-OG 3.4Å; K199-S203 VanDerWaalsContact CB-OG 3.3Å; K199-S203 WeakPolarHBondContact CB-OG 3.38Å; K199-S203 WeakPolarHBondContact O-CA 3.3Å; K199-S203 WeakPolarHBondContact O-CB 3.47Å; K199-S203 PolarHBondContact O-N 3.11Å; K199-S203 PolarHBondContact O-OG 2.86Å; K199-T204 PolarHBondContact O-N 3.15Å |
| 200 | L | 34.1 | Very low | 33.6 | Very low | 115 Ų | 115 | 85.4 Ų | 85.4 | 60% | 0.602 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -21.1 | -171.7 | -133.3 | 70.7 | 0 | 0 | 0 | 117 | S127 T204 | S127-L200 WeakPolarHBondContact OG-CD2 3.48Å; L200-T204 PolarHBondContact O-OG1 3.26Å |
| 201 | M | 34.7 | Very low | 32.7 | Very low | 63 Ų | 63 | 86.8 Ų | 86.8 | 31% | 0.31 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | -9.7 | 168.4 | -154.2 | -179.4 | 84.1 | 0 | 0 | 113.8 | K199 | K199-M201 VanDerWaalsContact C-N 3.29Å; K199-M201 PolarHBondContact O-N 3.15Å |
| 202 | F | 39.5 | Very low | 32 | Very low | 24 Ų | 24 | 87.2 Ų | 87.2 | 11% | 0.105 | 50% | 0.504 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -132.6 | -17.1 | -164.6 | -74.2 | -69.6 | 0 | 0 | 0 | 114.8 | P188 P198 K199 P285 R471 | P188-F202 HydrophobicContact CG-CE2 4.33Å; P198-F202 WeakPolarHBondContact O-CB 3.49Å; K199-F202 PolarHBondContact O-N 3.07Å; F202-P285 HydrophobicContact CE1-CB 4.37Å; F202-P285 HydrophobicContact CE1-CG 4.07Å; F202-R471 PolarHBondContact O-NH1 2.85Å; F202-R471 PolarHBondContact O-NH2 3.1Å |
| 203 | S | 35.3 | Very low | 31.7 | Very low | 39 Ų | 39 | 91 Ų | 91 | 27% | 0.273 | 52% | 0.522 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -28 | 162.4 | 73.9 | 0 | 0 | 0 | 0 | 112.4 | K199 L205 G206 Q207 | K199-S203 VanDerWaalsContact C-OG 3.23Å; K199-S203 WeakPolarHBondContact CA-OG 3.4Å; K199-S203 VanDerWaalsContact CB-OG 3.3Å; K199-S203 WeakPolarHBondContact CB-OG 3.38Å; K199-S203 WeakPolarHBondContact O-CA 3.3Å; K199-S203 WeakPolarHBondContact O-CB 3.47Å; K199-S203 PolarHBondContact O-N 3.11Å; K199-S203 PolarHBondContact O-OG 2.86Å; S203-L205 PolarHBondContact O-N 3.49Å; S203-G206 CarbonylContact O-C 3.05Å; S203-G206 PolarHBondContact O-N 2.9Å; S203-Q207 PolarHBondContact O-N 2.95Å |
| 204 | T | 36.4 | Very low | 31.5 | Very low | 43 Ų | 43 | 97.1 Ų | 97.1 | 26% | 0.264 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | -42.2 | 164.8 | 8 | 0 | 0 | 0 | 0 | 109.7 | K199 L200 G206 L235 | K199-T204 PolarHBondContact O-N 3.15Å; L200-T204 PolarHBondContact O-OG1 3.26Å; T204-G206 VanDerWaalsContact C-N 3.32Å; T204-G206 PolarHBondContact O-N 3.44Å; T204-L235 HydrophobicContact CG2-CD1 4Å; T204-L235 VanDerWaalsContact O-CD1 3.23Å; T204-L235 WeakPolarHBondContact O-CD1 3.43Å; T204-L235 VanDerWaalsContact O-CD2 3.25Å; T204-L235 WeakPolarHBondContact O-CD2 3.34Å |
| 205 | L | 34.8 | Very low | 31.7 | Very low | 30 Ų | 30 | 93.3 Ų | 93.3 | 16% | 0.157 | 52% | 0.521 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 11.7 | 176.2 | -69.4 | 165.7 | 0 | 0 | 0 | 115 | S203 L235 L239 H288 | S203-L205 PolarHBondContact O-N 3.49Å; L205-L235 HydrophobicContact CD2-CD1 4.3Å; L205-L239 HydrophobicContact CD2-CD1 4.1Å; L205-L239 HydrophobicContact CD2-CD2 4.32Å; L205-H288 WeakPolarHBondContact CB-CE1 3.37Å; L205-H288 PolarHBondContact O-CE1 3.2Å; L205-H288 PolarHBondContact O-ND1 2.87Å |
| 206 | G | 33.6 | Very low | 31.6 | Very low | 34 Ų | 34 | 96.8 Ų | 96.8 | 35% | 0.351 | 54% | 0.54 | S | S | . | . | trans | 169.3 | 83.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | S203 T204 R471 | S203-G206 CarbonylContact O-C 3.05Å; S203-G206 PolarHBondContact O-N 2.9Å; T204-G206 VanDerWaalsContact C-N 3.32Å; T204-G206 PolarHBondContact O-N 3.44Å; G206-R471 VanDerWaalsContact CA-NH2 3.3Å; G206-R471 PolarHBondContact O-NH2 3.13Å | ||
| 207 | Q | 32.7 | Very low | 31.8 | Very low | 123 Ų | 123 | 96.1 Ų | 96.1 | 58% | 0.575 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -65.8 | 119 | 134.4 | -69.4 | 175.4 | -5.7 | 0 | 0 | 108.6 | S203 E231 | S203-Q207 PolarHBondContact O-N 2.95Å; Q207-E231 PolarHBondContact NE2-OE2 3.35Å; Q207-E231 PolarHBondContact OE1-OE2 3.15Å |
| 208 | S | 30.7 | Very low | 31.7 | Very low | 89 Ų | 89 | 94.7 Ų | 94.7 | 62% | 0.622 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 134.4 | 141.1 | -178.3 | 0 | 0 | 0 | 0 | 105.5 | A210 | S208-A210 PolarHBondContact O-N 3.3Š|
| 209 | L | 29 | Very low | 31.5 | Very low | 135 Ų | 135 | 99.3 Ų | 99.3 | 71% | 0.707 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 134.1 | 164.1 | -76.2 | 98 | 0 | 0 | 0 | 107.9 | ||
| 210 | A | 27.4 | Very low | 31.2 | Very low | 86 Ų | 86 | 101.3 Ų | 101.3 | 71% | 0.711 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -65 | 142.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | S208 | S208-A210 PolarHBondContact O-N 3.3Š|
| 211 | P | 27.4 | Very low | 30.9 | Very low | 108 Ų | 108 | 100.9 Ų | 100.9 | 70% | 0.701 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 144.8 | 166.9 | 29.5 | -33.7 | 0 | 0 | 0 | 108.7 | Q213 | P211-Q213 PolarHBondContact O-N 3.4Š|
| 212 | P | 29 | Very low | 30.5 | Very low | 110 Ų | 110 | 106.7 Ų | 106.7 | 71% | 0.714 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 128.6 | 178.9 | 26.1 | -33.7 | 0 | 0 | 0 | 109.4 | Y214 | P212-Y214 PolarHBondContact O-N 3.45Š|
| 213 | Q | 28.8 | Very low | 29.8 | Very low | 178 Ų | 178 | 110 Ų | 110 | 83% | 0.832 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 120.6 | 172.9 | -71 | -176.9 | -12.8 | 0 | 0 | 108.8 | P211 S215 | P211-Q213 PolarHBondContact O-N 3.4Å; Q213-S215 VanDerWaalsContact C-N 3.32Å; Q213-S215 PolarHBondContact O-N 2.86Å |
| 214 | Y | 26.4 | Very low | 29.5 | Very low | 241 Ų | 241 | 114.3 Ų | 114.3 | 95% | 0.945 | 69% | 0.694 | S | S | * | * | trans | -71.1 | 91.1 | 165.5 | -86.7 | -90.9 | 0 | 0 | 0 | 108.9 | P212 | P212-Y214 PolarHBondContact O-N 3.45Š| ||
| 215 | S | 31.4 | Very low | 29 | Very low | 101 Ų | 101 | 117 Ų | 117 | 71% | 0.706 | 72% | 0.715 | S | S | * | * | trans | -112.3 | 126.8 | 162.3 | 54.9 | 0 | 0 | 0 | 0 | 109.5 | Q213 | Q213-S215 VanDerWaalsContact C-N 3.32Å; Q213-S215 PolarHBondContact O-N 2.86Å | ||
| 216 | T | 27.3 | Very low | 28.6 | Very low | 133 Ų | 133 | 124.8 Ų | 124.8 | 82% | 0.816 | 75% | 0.747 | S | S | * | * | trans | -70.4 | 168.3 | -177.6 | 42.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 217 | S | 29.6 | Very low | 28.3 | Very low | 112 Ų | 112 | 132.1 Ų | 132.1 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | trans | 72 | 98.5 | 166.2 | 62.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 218 | A | 28.7 | Very low | 28.3 | Very low | 88 Ų | 88 | 132.9 Ų | 132.9 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | 58.6 | 126.9 | 118.6 | 0 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 219 | D | 28.3 | Very low | 28.3 | Very low | 155 Ų | 155 | 131.5 Ų | 131.5 | 83% | 0.829 | 78% | 0.783 | S | S | * | * | trans | 86.3 | 124.3 | 143.6 | -63.7 | -13.3 | 0 | 0 | 0 | 123.4 | ||||
| 220 | S | 29.8 | Very low | 28.8 | Very low | 121 Ų | 121 | 130.6 Ų | 130.6 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | trans | 89.2 | 125.8 | 153.9 | 68 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 221 | S | 27.6 | Very low | 29.5 | Very low | 105 Ų | 105 | 132.6 Ų | 132.6 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | trans | -56.1 | 147.8 | 173.7 | 50.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 222 | E | 26.6 | Very low | 30.2 | Very low | 185 Ų | 185 | 129 Ų | 129 | 86% | 0.864 | 75% | 0.75 | S | S | * | * | -162.4 | 176 | 58.7 | -78.5 | -172.1 | 143.2 | 0 | 0 | 112.5 | |||||
| 223 | A | 26.2 | Very low | 31 | Very low | 94 Ų | 94 | 127.8 Ų | 127.8 | 78% | 0.777 | 74% | 0.74 | S | S | * | * | trans | 62.9 | 95.7 | 160.7 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 224 | S | 27.8 | Very low | 32.3 | Very low | 129 Ų | 129 | 124.7 Ų | 124.7 | 90% | 0.902 | 73% | 0.726 | S | S | * | * | 178.9 | 95 | 128 | 36.4 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 225 | S | 26.1 | Very low | 33.5 | Very low | 101 Ų | 101 | 114.2 Ų | 114.2 | 71% | 0.706 | 69% | 0.686 | S | S | * | * | trans | -97.9 | 162.2 | 151.8 | 55.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 226 | F | 26.7 | Very low | 34.9 | Very low | 193 Ų | 193 | 110.5 Ų | 110.5 | 85% | 0.846 | 66% | 0.66 | S | S | * | * | trans | 72.6 | 83.9 | -172.3 | -56.9 | -90 | 0 | 0 | 0 | 116.5 | ||||
| 227 | F | 27.5 | Very low | 36.8 | Very low | 188 Ų | 188 | 106.5 Ų | 106.5 | 83% | 0.825 | 64% | 0.637 | S | S | * | * | trans | -173.1 | 67.9 | 141.8 | -105.8 | -66.2 | 0 | 0 | 0 | 113 | I230 | F227-I230 HydrophobicContact CE1-CD1 4.17Š| ||
| 228 | T | 31.4 | Very low | 38.5 | Very low | 139 Ų | 139 | 102.4 Ų | 102.4 | 85% | 0.853 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -140.8 | 5 | 170.9 | 51 | 0 | 0 | 0 | 0 | 114.8 | ||
| 229 | G | 32.3 | Very low | 40.4 | Very low | 59 Ų | 59 | 98.4 Ų | 98.4 | 61% | 0.608 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -98.5 | -8.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||
| 230 | I | 39.8 | Very low | 42.6 | Very low | 117 Ų | 117 | 92.9 Ų | 92.9 | 60% | 0.6 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -104.4 | -25.8 | -159.8 | -65.4 | 173.1 | 0 | 0 | 0 | 113.9 | F227 T233 | F227-I230 HydrophobicContact CE1-CD1 4.17Å; I230-T233 PolarHBondContact O-OG1 2.87Å; I230-T233 VanDerWaalsContact O-OG1 3.1Å |
| 231 | E | 40.6 | Very low | 44.9 | Very low | 128 Ų | 128 | 91.6 Ų | 91.6 | 60% | 0.598 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -76.5 | -35.6 | -169.7 | -61.7 | -168.9 | 133.4 | 0 | 0 | 114.2 | Q207 T233 H234 L235 | Q207-E231 PolarHBondContact NE2-OE2 3.35Å; Q207-E231 PolarHBondContact OE1-OE2 3.15Å; E231-T233 PolarHBondContact O-N 3.31Å; E231-H234 PolarHBondContact O-N 3.41Å; E231-L235 PolarHBondContact O-N 3.35Å |
| 232 | S | 41.9 | Very low | 47.2 | Very low | 33 Ų | 33 | 88.5 Ų | 88.5 | 23% | 0.231 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -74.9 | -22.9 | -175.2 | 74.5 | 0 | 0 | 0 | 0 | 114.7 | S236 S334 | S232-S236 PolarHBondContact O-OG 3.07Å; S232-S334 VanDerWaalsContact CB-OG 3.31Å; S232-S334 WeakPolarHBondContact CB-OG 3.46Å; S232-S334 PolarHBondContact OG-OG 3.27Å |
| 233 | T | 47.2 | Very low | 49.7 | Very low | 84 Ų | 84 | 79.9 Ų | 79.9 | 52% | 0.515 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -78 | -29.4 | 172.4 | 53.1 | 0 | 0 | 0 | 0 | 111.8 | I230 E231 S236 S237 | I230-T233 PolarHBondContact O-OG1 2.87Å; I230-T233 VanDerWaalsContact O-OG1 3.1Å; E231-T233 PolarHBondContact O-N 3.31Å; T233-S236 PolarHBondContact O-OG 3.12Å; T233-S237 WeakPolarHBondContact O-CB 3.41Å; T233-S237 PolarHBondContact O-N 2.86Å; T233-S237 PolarHBondContact O-OG 3.08Å |
| 234 | H | 54.5 | Low | 52.3 | Low | 113 Ų | 113 | 79.7 Ų | 79.7 | 52% | 0.523 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -69.2 | -36.1 | 173.7 | -162.1 | -104.1 | 0 | 0 | 0 | 112 | E231 S237 S238 | E231-H234 PolarHBondContact O-N 3.41Å; H234-S237 WeakPolarHBondContact CA-OG 3.42Å; H234-S237 PolarHBondContact O-OG 3.15Å; H234-S237 VanDerWaalsContact O-OG 3.11Å; H234-S238 VanDerWaalsContact O-CB 3.24Å; H234-S238 WeakPolarHBondContact O-CB 3.47Å; H234-S238 PolarHBondContact O-N 3.46Å |
| 235 | L | 53.2 | Low | 55 | Low | 20 Ų | 20 | 73.7 Ų | 73.7 | 11% | 0.105 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -60.5 | -55.9 | 174.1 | 173.4 | 60 | 0 | 0 | 0 | 112.8 | T204 L205 E231 S237 S238 L239 | T204-L235 HydrophobicContact CG2-CD1 4Å; T204-L235 VanDerWaalsContact O-CD1 3.23Å; T204-L235 WeakPolarHBondContact O-CD1 3.43Å; T204-L235 VanDerWaalsContact O-CD2 3.25Å; T204-L235 WeakPolarHBondContact O-CD2 3.34Å; L205-L235 HydrophobicContact CD2-CD1 4.3Å; E231-L235 PolarHBondContact O-N 3.35Å; L235-S237 VanDerWaalsContact C-N 3.34Å; L235-S237 PolarHBondContact O-N 3.19Å; L235-S238 PolarHBondContact O-N 3.2Å; L235-L239 HydrophobicContact CD1-CD1 3.81Å; L235-L239 HydrophobicContact CD1-CG 4.16Å; L235-L239 HydrophobicContact CG-CD1 4.07Å; L235-L239 PolarHBondContact O-N 3.38Å |
| 236 | S | 60.7 | Low | 57.9 | Low | 23 Ų | 23 | 69.3 Ų | 69.3 | 16% | 0.161 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -65.5 | -36.6 | -175.6 | 50.8 | 0 | 0 | 0 | 0 | 112 | S232 T233 N240 | S232-S236 PolarHBondContact O-OG 3.07Å; T233-S236 PolarHBondContact O-OG 3.12Å; S236-N240 PolarHBondContact O-N 3.24Å; S236-N240 PolarHBondContact O-ND2 2.9Å |
| 237 | S | 65.7 | Low | 60.7 | Low | 50 Ų | 50 | 63.2 Ų | 63.2 | 35% | 0.35 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -68.9 | -36.5 | 173 | 56.7 | 0 | 0 | 0 | 0 | 112.9 | T233 H234 L235 N240 K241 | T233-S237 WeakPolarHBondContact O-CB 3.41Å; T233-S237 PolarHBondContact O-N 2.86Å; T233-S237 PolarHBondContact O-OG 3.08Å; H234-S237 WeakPolarHBondContact CA-OG 3.42Å; H234-S237 PolarHBondContact O-OG 3.15Å; H234-S237 VanDerWaalsContact O-OG 3.11Å; L235-S237 VanDerWaalsContact C-N 3.34Å; L235-S237 PolarHBondContact O-N 3.19Å; S237-N240 PolarHBondContact O-N 3.5Å; S237-K241 VanDerWaalsContact O-CG 3.3Å; S237-K241 WeakPolarHBondContact O-CG 3.15Å; S237-K241 PolarHBondContact O-N 2.68Å |
| 238 | S | 67 | Low | 63.6 | Low | 25 Ų | 25 | 56 Ų | 56 | 18% | 0.175 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.3 | -45.8 | 173.3 | -170.5 | 0 | 0 | 0 | 0 | 112.4 | H234 L235 N240 K241 Q242 | H234-S238 VanDerWaalsContact O-CB 3.24Å; H234-S238 WeakPolarHBondContact O-CB 3.47Å; H234-S238 PolarHBondContact O-N 3.46Å; L235-S238 PolarHBondContact O-N 3.2Å; S238-N240 VanDerWaalsContact C-N 3.34Å; S238-N240 PolarHBondContact O-N 3.36Å; S238-K241 WeakPolarHBondContact O-CB 3.41Å; S238-K241 PolarHBondContact O-N 3.1Å; S238-Q242 WeakPolarHBondContact O-CG 3.39Å; S238-Q242 PolarHBondContact O-N 3.16Å |
| 239 | L | 67.6 | Low | 66.4 | Low | 5 Ų | 5 | 49.5 Ų | 49.5 | 3% | 0.026 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.9 | -36.9 | 175.7 | -74.8 | 167.1 | 0 | 0 | 0 | 112.5 | L205 L235 Q242 L243 L341 I345 | L205-L239 HydrophobicContact CD2-CD1 4.1Å; L205-L239 HydrophobicContact CD2-CD2 4.32Å; L235-L239 HydrophobicContact CD1-CD1 3.81Å; L235-L239 HydrophobicContact CD1-CG 4.16Å; L235-L239 HydrophobicContact CG-CD1 4.07Å; L235-L239 PolarHBondContact O-N 3.38Å; L239-Q242 PolarHBondContact O-N 3.27Å; L239-L243 WeakPolarHBondContact O-CB 3.46Å; L239-L243 PolarHBondContact O-N 3.32Å; L239-L341 HydrophobicContact CB-CB 4.4Å; L239-L341 HydrophobicContact CB-CD2 3.63Å; L239-L341 WeakPolarHBondContact O-CD2 3.34Å; L239-I345 HydrophobicContact CD2-CD1 4.22Å |
| 240 | N | 75.5 | Confident | 69.1 | Low | 39 Ų | 39 | 47.1 Ų | 47.1 | 21% | 0.209 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.6 | -46.4 | 173.9 | -83.2 | -74.9 | 0 | 0 | 0 | 111.5 | S236 S237 S238 Q242 L243 D244 L341 | S236-N240 PolarHBondContact O-N 3.24Å; S236-N240 PolarHBondContact O-ND2 2.9Å; S237-N240 PolarHBondContact O-N 3.5Å; S238-N240 VanDerWaalsContact C-N 3.34Å; S238-N240 PolarHBondContact O-N 3.36Å; N240-Q242 PolarHBondContact O-N 3.47Å; N240-L243 PolarHBondContact O-N 2.88Å; N240-L243 VanDerWaalsContact O-N 3.12Å; N240-D244 PolarHBondContact O-N 3.45Å; N240-L341 HydrophobicContact CB-CD2 4.16Å; N240-L341 VanDerWaalsContact N-CD2 3.33Å |
| 241 | K | 77 | Confident | 71.4 | Confident | 94 Ų | 94 | 45.9 Ų | 45.9 | 41% | 0.409 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -56.7 | -36.8 | 173.8 | -73.5 | 171.1 | 174.8 | -176.1 | 0 | 112.3 | W130 S237 S238 | W130-K241 HydrophobicContact CD2-CD 4.49Å; W130-K241 HydrophobicContact CG-CD 4.43Å; W130-K241 HydrophobicContact CZ2-CB 3.62Å; S237-K241 VanDerWaalsContact O-CG 3.3Å; S237-K241 WeakPolarHBondContact O-CG 3.15Å; S237-K241 PolarHBondContact O-N 2.68Å; S238-K241 WeakPolarHBondContact O-CB 3.41Å; S238-K241 PolarHBondContact O-N 3.1Å |
| 242 | Q | 75.7 | Confident | 73.7 | Confident | 39 Ų | 39 | 39.8 Ų | 39.8 | 18% | 0.182 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.3 | -49.5 | 173 | -72.8 | 178.6 | -14.1 | 0 | 0 | 111.8 | W130 Y185 S238 L239 N240 D244 I245 I246 | W130-Q242 HydrophobicContact CH2-CG 4.07Å; Y185-Q242 WeakPolarHBondContact OH-CA 3.45Å; S238-Q242 WeakPolarHBondContact O-CG 3.39Å; S238-Q242 PolarHBondContact O-N 3.16Å; L239-Q242 PolarHBondContact O-N 3.27Å; N240-Q242 PolarHBondContact O-N 3.47Å; Q242-D244 PolarHBondContact O-N 3.49Å; Q242-I245 PolarHBondContact O-N 3.36Å; Q242-I246 VanDerWaalsContact O-CG1 3.3Å; Q242-I246 WeakPolarHBondContact O-CG1 3.21Å; Q242-I246 PolarHBondContact O-N 2.93Å |
| 243 | L | 79.9 | Confident | 76 | Confident | 5 Ų | 5 | 38.3 Ų | 38.3 | 3% | 0.026 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -55.5 | -38.1 | 179.1 | 176.5 | 60.3 | 0 | 0 | 0 | 112.4 | L239 N240 I246 K247 L341 V344 I345 | L239-L243 WeakPolarHBondContact O-CB 3.46Å; L239-L243 PolarHBondContact O-N 3.32Å; N240-L243 PolarHBondContact O-N 2.88Å; N240-L243 VanDerWaalsContact O-N 3.12Å; L243-I246 PolarHBondContact O-N 3.07Å; L243-K247 HydrophobicContact CD1-CD 4.34Å; L243-K247 HydrophobicContact CD1-CG 4.19Å; L243-K247 HydrophobicContact CG-CD 4.22Å; L243-K247 WeakPolarHBondContact O-CB 3.36Å; L243-K247 VanDerWaalsContact O-CG 3.29Å; L243-K247 WeakPolarHBondContact O-CG 3.47Å; L243-K247 PolarHBondContact O-N 3.25Å; L243-L341 HydrophobicContact CB-CD2 4.3Å; L243-L341 HydrophobicContact CD2-CD2 4.14Å; L243-L341 HydrophobicContact CD2-CG 4.29Å; L243-V344 HydrophobicContact CD1-CG1 3.94Å; L243-V344 HydrophobicContact CD2-CG1 3.93Å; L243-I345 HydrophobicContact CB-CD1 4.29Å; L243-I345 HydrophobicContact CB-CG1 4Å; L243-I345 HydrophobicContact CD1-CG1 3.74Å; L243-I345 HydrophobicContact CG-CG1 4.37Å |
| 244 | D | 81.2 | Confident | 77.9 | Confident | 90 Ų | 90 | 37.4 Ų | 37.4 | 48% | 0.481 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -62.3 | -44.3 | 175.5 | -70.3 | -20.9 | 0 | 0 | 0 | 112.4 | N240 Q242 K247 L248 | N240-D244 PolarHBondContact O-N 3.45Å; Q242-D244 PolarHBondContact O-N 3.49Å; D244-K247 PolarHBondContact O-N 3.43Å; D244-L248 WeakPolarHBondContact O-CB 3.48Å; D244-L248 PolarHBondContact O-N 3.07Å |
| 245 | I | 84.9 | Confident | 79.4 | Confident | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.7 | -38.3 | 175.9 | -64.2 | 177.9 | 0 | 0 | 0 | 110.6 | W130 K134 A137 Y185 Q242 K247 L248 V249 | W130-I245 HydrophobicContact CH2-CD1 4.17Å; W130-I245 HydrophobicContact CZ2-CD1 3.57Å; K134-I245 HydrophobicContact CB-CD1 4.23Å; K134-I245 HydrophobicContact CG-CD1 4.33Å; A137-I245 HydrophobicContact CB-CG2 3.78Å; Y185-I245 HydrophobicContact CD1-CG2 4.22Å; Y185-I245 HydrophobicContact CD2-CG2 4.39Å; Y185-I245 HydrophobicContact CE1-CB 4.29Å; Y185-I245 HydrophobicContact CE1-CG2 3.76Å; Y185-I245 HydrophobicContact CE2-CB 4.45Å; Y185-I245 HydrophobicContact CE2-CD1 3.74Å; Y185-I245 HydrophobicContact CE2-CG2 3.94Å; Q242-I245 PolarHBondContact O-N 3.36Å; I245-K247 PolarHBondContact O-N 2.68Å; I245-L248 WeakPolarHBondContact O-CB 3.25Å; I245-L248 PolarHBondContact O-N 3.09Å; I245-V249 HydrophobicContact CG2-CG2 4.31Å; I245-V249 VanDerWaalsContact O-CG2 3.29Å; I245-V249 WeakPolarHBondContact O-CG2 3.25Å; I245-V249 PolarHBondContact O-N 3.41Å |
| 246 | I | 85.7 | Confident | 81 | Confident | 10 Ų | 10 | 34.9 Ų | 34.9 | 5% | 0.051 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.5 | -41.7 | 177.3 | -64.8 | 176 | 0 | 0 | 0 | 110.9 | F186 Q242 L243 V249 A250 I282 I345 V349 | F186-I246 HydrophobicContact CE1-CD1 4.39Å; F186-I246 HydrophobicContact CE1-CG1 3.9Å; F186-I246 HydrophobicContact CZ-CG1 4.45Å; Q242-I246 VanDerWaalsContact O-CG1 3.3Å; Q242-I246 WeakPolarHBondContact O-CG1 3.21Å; Q242-I246 PolarHBondContact O-N 2.93Å; L243-I246 PolarHBondContact O-N 3.07Å; I246-V249 PolarHBondContact O-N 3.04Å; I246-A250 WeakPolarHBondContact O-CB 3.47Å; I246-A250 PolarHBondContact O-N 3.31Å; I246-I282 HydrophobicContact CD1-CD1 4.03Å; I246-I345 HydrophobicContact CD1-CG1 4.32Å; I246-I345 HydrophobicContact CD1-CG2 3.55Å; I246-V349 HydrophobicContact CG2-CG1 3.68Å |
| 247 | K | 86.2 | Confident | 82.3 | Confident | 64 Ų | 64 | 34 Ų | 34 | 28% | 0.278 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -62 | -43.1 | 171.8 | -74.5 | 169.6 | 179 | 171 | 0 | 111.9 | L243 D244 I245 A250 L251 | L243-K247 HydrophobicContact CD1-CD 4.34Å; L243-K247 HydrophobicContact CD1-CG 4.19Å; L243-K247 HydrophobicContact CG-CD 4.22Å; L243-K247 WeakPolarHBondContact O-CB 3.36Å; L243-K247 VanDerWaalsContact O-CG 3.29Å; L243-K247 WeakPolarHBondContact O-CG 3.47Å; L243-K247 PolarHBondContact O-N 3.25Å; D244-K247 PolarHBondContact O-N 3.43Å; I245-K247 PolarHBondContact O-N 2.68Å; K247-A250 PolarHBondContact O-N 3.45Å; K247-L251 WeakPolarHBondContact O-CB 3.31Å; K247-L251 VanDerWaalsContact O-CG 3.28Å; K247-L251 WeakPolarHBondContact O-CG 3.24Å; K247-L251 PolarHBondContact O-N 2.98Å |
| 248 | L | 88.7 | Confident | 83.1 | Confident | 37 Ų | 37 | 35.2 Ų | 35.2 | 19% | 0.194 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60 | -46.1 | 176.2 | 179.3 | 95.8 | 0 | 0 | 0 | 111.8 | H138 C141 D244 I245 L251 A252 | H138-L248 VanDerWaalsContact CD2-CD2 3.45Å; H138-L248 WeakPolarHBondContact CD2-CD2 3.49Å; C141-L248 HydrophobicContact CB-CD2 3.82Å; C141-L248 HydrophobicContact CB-CG 3.96Å; D244-L248 WeakPolarHBondContact O-CB 3.48Å; D244-L248 PolarHBondContact O-N 3.07Å; I245-L248 WeakPolarHBondContact O-CB 3.25Å; I245-L248 PolarHBondContact O-N 3.09Å; L248-L251 PolarHBondContact O-N 3.44Å; L248-A252 WeakPolarHBondContact O-CB 3.22Å; L248-A252 PolarHBondContact O-N 3.34Å |
| 249 | V | 89.5 | Confident | 83.8 | Confident | 3 Ų | 3 | 35.4 Ų | 35.4 | 2% | 0.018 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63 | -45.5 | 176.2 | 172.7 | 0 | 0 | 0 | 0 | 110.7 | L182 F186 I245 I246 A252 V253 F274 I278 | L182-V249 HydrophobicContact CD1-CG2 4.41Å; L182-V249 HydrophobicContact CD2-CG1 4.12Å; L182-V249 HydrophobicContact CD2-CG2 4.14Å; L182-V249 HydrophobicContact CG-CG2 4.42Å; F186-V249 HydrophobicContact CE2-CG1 4.42Å; F186-V249 HydrophobicContact CE2-CG2 4.4Å; F186-V249 HydrophobicContact CZ-CB 4.39Å; F186-V249 HydrophobicContact CZ-CG1 4.18Å; F186-V249 HydrophobicContact CZ-CG2 4.21Å; I245-V249 HydrophobicContact CG2-CG2 4.31Å; I245-V249 VanDerWaalsContact O-CG2 3.29Å; I245-V249 WeakPolarHBondContact O-CG2 3.25Å; I245-V249 PolarHBondContact O-N 3.41Å; I246-V249 PolarHBondContact O-N 3.04Å; V249-A252 PolarHBondContact O-N 2.82Å; V249-V253 WeakPolarHBondContact O-CG2 3.4Å; V249-V253 PolarHBondContact O-N 3.27Å; V249-F274 HydrophobicContact CG1-CE1 4.05Å; V249-F274 HydrophobicContact CG1-CZ 3.76Å; V249-I278 HydrophobicContact CG1-CD1 4.13Å |
| 250 | A | 88 | Confident | 84.2 | Confident | 8 Ų | 8 | 36.6 Ų | 36.6 | 7% | 0.066 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.8 | -49.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | I246 K247 A252 V253 E254 L352 | I246-A250 WeakPolarHBondContact O-CB 3.47Å; I246-A250 PolarHBondContact O-N 3.31Å; K247-A250 PolarHBondContact O-N 3.45Å; A250-A252 VanDerWaalsContact C-N 3.33Å; A250-A252 PolarHBondContact O-N 3.49Å; A250-V253 PolarHBondContact O-N 3.45Å; A250-E254 WeakPolarHBondContact O-CB 3.44Å; A250-E254 WeakPolarHBondContact O-CG 3.39Å; A250-E254 PolarHBondContact O-N 3.13Å; A250-L352 HydrophobicContact CB-CD1 4.14Å; A250-L352 HydrophobicContact CB-CD2 3.97Å; A250-L352 HydrophobicContact CB-CG 4.44Å |
| 251 | L | 88.7 | Confident | 84.2 | Confident | 91 Ų | 91 | 40.9 Ų | 40.9 | 48% | 0.476 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60.8 | -38.1 | 177 | -73 | 169.3 | 0 | 0 | 0 | 112.7 | K247 L248 E254 E255 | K247-L251 WeakPolarHBondContact O-CB 3.31Å; K247-L251 VanDerWaalsContact O-CG 3.28Å; K247-L251 WeakPolarHBondContact O-CG 3.24Å; K247-L251 PolarHBondContact O-N 2.98Å; L248-L251 PolarHBondContact O-N 3.44Å; L251-E254 PolarHBondContact O-N 3.26Å; L251-E255 WeakPolarHBondContact O-CB 3.23Å; L251-E255 PolarHBondContact O-N 3.28Å |
| 252 | A | 88.6 | Confident | 84.2 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.008 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.7 | -38.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | C141 I144 K145 L248 V249 A250 L256 | C141-A252 HydrophobicContact CB-CB 3.85Å; I144-A252 HydrophobicContact CG2-CB 4.41Å; K145-A252 HydrophobicContact CD-CB 4.41Å; K145-A252 HydrophobicContact CG-CB 3.96Å; L248-A252 WeakPolarHBondContact O-CB 3.22Å; L248-A252 PolarHBondContact O-N 3.34Å; V249-A252 PolarHBondContact O-N 2.82Å; A250-A252 VanDerWaalsContact C-N 3.33Å; A250-A252 PolarHBondContact O-N 3.49Å; A252-L256 WeakPolarHBondContact O-CB 3.24Å; A252-L256 PolarHBondContact O-N 3.34Å |
| 253 | V | 90.6 | Very high | 84.5 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -71.9 | -39.8 | 174.9 | 174.8 | 0 | 0 | 0 | 0 | 111.3 | V249 A250 L256 C257 I271 F274 L352 T356 | V249-V253 WeakPolarHBondContact O-CG2 3.4Å; V249-V253 PolarHBondContact O-N 3.27Å; A250-V253 PolarHBondContact O-N 3.45Å; V253-L256 WeakPolarHBondContact O-CB 3.24Å; V253-L256 PolarHBondContact O-N 2.97Å; V253-C257 WeakPolarHBondContact O-CB 3.32Å; V253-C257 PolarHBondContact O-N 2.86Å; V253-C257 PolarHBondContact O-SG 3.13Å; V253-I271 HydrophobicContact CG1-CG2 4.07Å; V253-F274 HydrophobicContact CG2-CD1 4.27Å; V253-F274 HydrophobicContact CG2-CE1 3.68Å; V253-L352 HydrophobicContact CB-CD1 4.13Å; V253-L352 HydrophobicContact CG1-CD1 4.03Å; V253-T356 HydrophobicContact CG1-CG2 4.37Å |
| 254 | E | 88.1 | Confident | 84.8 | Confident | 65 Ų | 65 | 41.8 Ų | 41.8 | 30% | 0.304 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65.6 | -40.7 | 177 | -74.6 | -170.1 | 144.4 | 0 | 0 | 112.4 | A250 L251 C257 S258 L352 | A250-E254 WeakPolarHBondContact O-CB 3.44Å; A250-E254 WeakPolarHBondContact O-CG 3.39Å; A250-E254 PolarHBondContact O-N 3.13Å; L251-E254 PolarHBondContact O-N 3.26Å; E254-C257 CarbonylContact O-C 3.43Å; E254-C257 PolarHBondContact O-N 3.45Å; E254-S258 PolarHBondContact O-N 3.28Å; E254-S258 VanDerWaalsContact O-N 3.1Å; E254-L352 HydrophobicContact CG-CD1 3.85Å |
| 255 | E | 85.6 | Confident | 85 | Confident | 80 Ų | 80 | 40 Ų | 40 | 37% | 0.374 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -66.4 | -41.2 | 171.5 | -83 | 177.7 | -161.1 | 0 | 0 | 111.9 | K145 N148 L251 C257 S258 | K145-E255 WeakPolarHBondContact CD-OE2 3.38Å; K145-E255 WeakPolarHBondContact CE-OE2 3.43Å; K145-E255 WeakPolarHBondContact CG-OE2 3.15Å; K145-E255 IonicContact NZ-OE1 2.78Å; K145-E255 PolarHBondContact NZ-OE1 3.45Å; K145-E255 IonicContact NZ-OE2 3.64Å; K145-E255 PolarHBondContact NZ-OE2 2.82Å; N148-E255 PolarHBondContact ND2-O 2.89Å; L251-E255 WeakPolarHBondContact O-CB 3.23Å; L251-E255 PolarHBondContact O-N 3.28Å; E255-C257 VanDerWaalsContact C-N 3.28Å; E255-C257 PolarHBondContact O-N 3.43Å; E255-S258 WeakPolarHBondContact O-CB 3.29Å; E255-S258 PolarHBondContact O-N 3.32Å; E255-S258 PolarHBondContact O-OG 2.89Å |
| 256 | L | 87 | Confident | 85 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.7 | -44.7 | 172.9 | -179.1 | 69.1 | 0 | 0 | 0 | 110.9 | I144 L147 N148 L175 A252 V253 S258 L263 I271 | I144-L256 HydrophobicContact CG2-CB 4.08Å; I144-L256 HydrophobicContact CG2-CD1 4.44Å; I144-L256 HydrophobicContact CG2-CD2 4.06Å; I144-L256 HydrophobicContact CG2-CG 4.42Å; L147-L256 HydrophobicContact CB-CD1 4.28Å; L147-L256 HydrophobicContact CD1-CD1 4.38Å; N148-L256 WeakPolarHBondContact ND2-CA 3.3Å; N148-L256 PolarHBondContact ND2-O 3.5Å; L175-L256 HydrophobicContact CD1-CD1 4.46Å; L175-L256 HydrophobicContact CD1-CD2 3.68Å; L175-L256 HydrophobicContact CD2-CD2 4.41Å; A252-L256 WeakPolarHBondContact O-CB 3.24Å; A252-L256 PolarHBondContact O-N 3.34Å; V253-L256 WeakPolarHBondContact O-CB 3.24Å; V253-L256 PolarHBondContact O-N 2.97Å; L256-S258 PolarHBondContact O-N 3.49Å; L256-L263 HydrophobicContact CD1-CD2 4.16Å; L256-L263 HydrophobicContact CG-CD2 4.24Å; L256-I271 HydrophobicContact CD2-CD1 3.68Å; L256-I271 HydrophobicContact CD2-CG1 4Å; L256-I271 HydrophobicContact CG-CD1 4.35Å |
| 257 | C | 86.9 | Confident | 85.2 | Confident | 4 Ų | 4 | 44.6 Ų | 44.6 | 3% | 0.027 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -1.3 | 178.6 | -60.6 | 0 | 0 | 0 | 0 | 114.3 | V253 E254 E255 W268 K359 | V253-C257 WeakPolarHBondContact O-CB 3.32Å; V253-C257 PolarHBondContact O-N 2.86Å; V253-C257 PolarHBondContact O-SG 3.13Å; E254-C257 CarbonylContact O-C 3.43Å; E254-C257 PolarHBondContact O-N 3.45Å; E255-C257 VanDerWaalsContact C-N 3.28Å; E255-C257 PolarHBondContact O-N 3.43Å; C257-W268 HydrophobicContact CB-CH2 4.07Å; C257-W268 HydrophobicContact CB-CZ3 4.38Å; C257-K359 HydrophobicContact CB-CD 3.99Å |
| 258 | S | 83.7 | Confident | 85.4 | Confident | 75 Ų | 75 | 41.7 Ų | 41.7 | 52% | 0.524 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -18.3 | 179.8 | 73.6 | 0 | 0 | 0 | 0 | 114 | E254 E255 L256 P260 | E254-S258 PolarHBondContact O-N 3.28Å; E254-S258 VanDerWaalsContact O-N 3.1Å; E255-S258 WeakPolarHBondContact O-CB 3.29Å; E255-S258 PolarHBondContact O-N 3.32Å; E255-S258 PolarHBondContact O-OG 2.89Å; L256-S258 PolarHBondContact O-N 3.49Å; S258-P260 VanDerWaalsContact C-CD 3.43Å; S258-P260 VanDerWaalsContact O-CD 3.28Å; S258-P260 WeakPolarHBondContact O-CD 3.32Å |
| 259 | V | 81.2 | Confident | 85.4 | Confident | 30 Ų | 30 | 40.6 Ų | 40.6 | 18% | 0.182 | 23% | 0.232 | C | C | . | . | trans | -119.9 | 69.6 | 178.2 | -164 | 0 | 0 | 0 | 0 | 110.2 | N148 T261 Q262 | N148-V259 HydrophobicContact CB-CB 4.32Å; N148-V259 HydrophobicContact CB-CG2 4.05Å; V259-T261 PolarHBondContact O-N 3.13Å; V259-T261 VanDerWaalsContact O-N 3.1Å; V259-Q262 HydrophobicContact CG1-CG 4.06Å; V259-Q262 PolarHBondContact O-N 3.04Å | ||
| 260 | P | 75.8 | Confident | 85.4 | Confident | 30 Ų | 30 | 41.2 Ų | 41.2 | 20% | 0.195 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -63.3 | -23.3 | -166.8 | 26.1 | -37.4 | 0 | 0 | 0 | 114.4 | S258 Q262 L263 W268 H363 | S258-P260 VanDerWaalsContact C-CD 3.43Å; S258-P260 VanDerWaalsContact O-CD 3.28Å; S258-P260 WeakPolarHBondContact O-CD 3.32Å; P260-Q262 PolarHBondContact O-N 3.42Å; P260-Q262 VanDerWaalsContact O-N 3.12Å; P260-L263 PolarHBondContact O-N 3.26Å; P260-W268 HydrophobicContact CB-CZ2 4.1Å; P260-H363 HydrophobicContact CB-CB 4.25Å; P260-H363 WeakPolarHBondContact CB-CD2 3.15Å; P260-H363 VanDerWaalsContact CB-CG 3.49Å; P260-H363 WeakPolarHBondContact CB-NE2 3.41Å; P260-H363 VanDerWaalsContact CG-CE1 3.45Å; P260-H363 WeakPolarHBondContact CG-CE1 3.33Å; P260-H363 WeakPolarHBondContact CG-NE2 3.43Å |
| 261 | T | 75.1 | Confident | 85.6 | Confident | 129 Ų | 129 | 40.9 Ų | 40.9 | 79% | 0.791 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -65.9 | -11.2 | 179.5 | 60.9 | 0 | 0 | 0 | 0 | 114 | V259 | V259-T261 PolarHBondContact O-N 3.13Å; V259-T261 VanDerWaalsContact O-N 3.1Å |
| 262 | Q | 76.4 | Confident | 85.8 | Confident | 67 Ų | 67 | 36.6 Ų | 36.6 | 31% | 0.313 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -101.1 | -1.1 | -179.9 | -56.2 | -173 | 29.1 | 0 | 0 | 112.7 | S149 Q172 V259 P260 | S149-Q262 PolarHBondContact OG-NE2 3.22Å; S149-Q262 PolarHBondContact OG-OE1 3.16Å; Q172-Q262 PolarHBondContact NE2-O 3.46Å; V259-Q262 HydrophobicContact CG1-CG 4.06Å; V259-Q262 PolarHBondContact O-N 3.04Å; P260-Q262 PolarHBondContact O-N 3.42Å; P260-Q262 VanDerWaalsContact O-N 3.12Å |
| 263 | L | 82.9 | Confident | 85.8 | Confident | 21 Ų | 21 | 38.2 Ų | 38.2 | 11% | 0.11 | 22% | 0.217 | C | C | . | . | trans | -105 | 124.4 | -177.3 | -65.1 | 172.1 | 0 | 0 | 0 | 111.3 | L175 L256 P260 W268 I271 | L175-L263 HydrophobicContact CD2-CD2 4.07Å; L256-L263 HydrophobicContact CD1-CD2 4.16Å; L256-L263 HydrophobicContact CG-CD2 4.24Å; P260-L263 PolarHBondContact O-N 3.26Å; L263-W268 HydrophobicContact CD1-CD2 4.42Å; L263-W268 HydrophobicContact CD1-CH2 4.19Å; L263-W268 HydrophobicContact CD1-CZ2 3.7Å; L263-I271 HydrophobicContact CD1-CD1 4.06Å; L263-I271 HydrophobicContact CD2-CD1 4.1Å | ||
| 264 | T | 85.5 | Confident | 85.8 | Confident | 68 Ų | 68 | 38.2 Ų | 38.2 | 42% | 0.417 | 22% | 0.216 | S | C | . | . | trans | -75.5 | 166.2 | 171.4 | 57.2 | 0 | 0 | 0 | 0 | 111.7 | Q172 D266 S267 W268 | Q172-T264 PolarHBondContact OE1-OG1 3.25Å; T264-D266 VanDerWaalsContact C-N 3.26Å; T264-D266 PolarHBondContact O-N 3.12Å; T264-S267 PolarHBondContact N-OG 3.39Å; T264-S267 VanDerWaalsContact O-CB 3.28Å; T264-S267 WeakPolarHBondContact O-CB 3.43Å; T264-S267 PolarHBondContact O-N 3.31Å; T264-S267 PolarHBondContact OG1-N 3.03Å; T264-S267 PolarHBondContact OG1-OG 2.92Å; T264-W268 PolarHBondContact O-N 2.99Å; T264-W268 VanDerWaalsContact O-N 3.13Å | ||
| 265 | S | 85.7 | Confident | 86 | Confident | 53 Ų | 53 | 35.2 Ų | 35.2 | 37% | 0.371 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -54.7 | -42.4 | 173.1 | -179.4 | 0 | 0 | 0 | 0 | 112.2 | S267 W268 D269 C364 | S265-S267 VanDerWaalsContact C-N 3.32Å; S265-S267 PolarHBondContact O-N 2.9Å; S265-W268 PolarHBondContact O-N 3.49Å; S265-D269 PolarHBondContact O-N 3.17Å; S265-C364 VanDerWaalsContact CB-SG 3.58Å; S265-C364 PolarHBondContact OG-SG 3.33Å |
| 266 | D | 85.5 | Confident | 86.2 | Confident | 103 Ų | 103 | 31.7 Ų | 31.7 | 55% | 0.551 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -70.8 | -26.4 | 177.7 | -64.1 | -31.7 | 0 | 0 | 0 | 112.8 | T264 C270 K367 | T264-D266 VanDerWaalsContact C-N 3.26Å; T264-D266 PolarHBondContact O-N 3.12Å; D266-C270 WeakPolarHBondContact O-CB 3.22Å; D266-C270 PolarHBondContact O-N 3.28Å; D266-C270 PolarHBondContact O-SG 3.41Å; D266-K367 IonicContact OD1-NZ 2.65Å; D266-K367 PolarHBondContact OD1-NZ 3.42Å |
| 267 | S | 88.7 | Confident | 86.1 | Confident | 6 Ų | 6 | 32.3 Ų | 32.3 | 4% | 0.042 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.3 | -46.4 | 169 | -63.1 | 0 | 0 | 0 | 0 | 111.8 | Q172 T264 S265 C270 I271 | Q172-S267 VanDerWaalsContact CD-OG 3.24Å; Q172-S267 PolarHBondContact NE2-OG 2.89Å; Q172-S267 PolarHBondContact OE1-OG 2.82Å; T264-S267 PolarHBondContact N-OG 3.39Å; T264-S267 VanDerWaalsContact O-CB 3.28Å; T264-S267 WeakPolarHBondContact O-CB 3.43Å; T264-S267 PolarHBondContact O-N 3.31Å; T264-S267 PolarHBondContact OG1-N 3.03Å; T264-S267 PolarHBondContact OG1-OG 2.92Å; S265-S267 VanDerWaalsContact C-N 3.32Å; S265-S267 PolarHBondContact O-N 2.9Å; S267-C270 PolarHBondContact O-N 2.96Å; S267-I271 VanDerWaalsContact O-CG1 3.28Å; S267-I271 WeakPolarHBondContact O-CG1 3.4Å; S267-I271 PolarHBondContact O-N 3.48Å |
| 268 | W | 91 | Very high | 86.1 | Confident | 3 Ų | 3 | 32.2 Ų | 32.2 | 1% | 0.011 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.3 | -45.5 | 177.3 | -77.4 | 106.8 | 0 | 0 | 0 | 111.2 | C257 P260 L263 T264 S265 C270 I271 L272 T356 K359 A360 H363 C364 | C257-W268 HydrophobicContact CB-CH2 4.07Å; C257-W268 HydrophobicContact CB-CZ3 4.38Å; P260-W268 HydrophobicContact CB-CZ2 4.1Å; L263-W268 HydrophobicContact CD1-CD2 4.42Å; L263-W268 HydrophobicContact CD1-CH2 4.19Å; L263-W268 HydrophobicContact CD1-CZ2 3.7Å; T264-W268 PolarHBondContact O-N 2.99Å; T264-W268 VanDerWaalsContact O-N 3.13Å; S265-W268 PolarHBondContact O-N 3.49Å; W268-C270 VanDerWaalsContact C-N 3.3Å; W268-C270 PolarHBondContact O-N 3.3Å; W268-I271 PolarHBondContact O-N 2.69Å; W268-L272 VanDerWaalsContact O-CG 3.3Å; W268-L272 WeakPolarHBondContact O-CG 3.38Å; W268-L272 PolarHBondContact O-N 3.23Å; W268-T356 HydrophobicContact CZ3-CG2 4.49Å; W268-K359 HydrophobicContact CH2-CB 3.95Å; W268-K359 HydrophobicContact CZ3-CB 4.22Å; W268-A360 HydrophobicContact CD2-CB 4.19Å; W268-A360 HydrophobicContact CE3-CB 3.53Å; W268-A360 HydrophobicContact CZ3-CB 3.9Å; W268-H363 HydrophobicContact CZ2-CB 4.11Å; W268-H363 AromaticContact CZ2-CD2 3.88Å; W268-C364 HydrophobicContact CB-CB 4.28Å; W268-C364 HydrophobicContact CG-CB 4.02Å |
| 269 | D | 89.5 | Confident | 86.3 | Confident | 13 Ų | 13 | 28.8 Ų | 28.8 | 7% | 0.07 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -55.6 | -43 | 173 | -88.8 | 18.8 | 0 | 0 | 0 | 112.4 | S265 R273 K367 L370 | S265-D269 PolarHBondContact O-N 3.17Å; D269-R273 WeakPolarHBondContact O-CB 3.29Å; D269-R273 VanDerWaalsContact O-CG 3.23Å; D269-R273 WeakPolarHBondContact O-CG 3.39Å; D269-R273 PolarHBondContact O-N 3.08Å; D269-K367 IonicContact OD1-NZ 3.22Å; D269-K367 VanDerWaalsContact OD2-CD 3.27Å; D269-K367 WeakPolarHBondContact OD2-CD 3.35Å; D269-K367 VanDerWaalsContact OD2-CE 3.23Å; D269-K367 WeakPolarHBondContact OD2-CE 3.4Å; D269-K367 IonicContact OD2-NZ 3.68Å; D269-K367 PolarHBondContact OD2-NZ 2.79Å; D269-L370 HydrophobicContact CB-CD1 4.3Å; D269-L370 VanDerWaalsContact OD1-CD1 3.28Å; D269-L370 WeakPolarHBondContact OD1-CD1 3.38Å |
| 270 | C | 88.5 | Confident | 86.4 | Confident | 17 Ų | 17 | 27.9 Ų | 27.9 | 12% | 0.115 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66 | -42.2 | 177.1 | -74.1 | 0 | 0 | 0 | 0 | 112.9 | L179 F180 D266 S267 W268 F274 | L179-C270 HydrophobicContact CD1-CB 4.45Å; F180-C270 HydrophobicContact CE2-CB 4.41Å; D266-C270 WeakPolarHBondContact O-CB 3.22Å; D266-C270 PolarHBondContact O-N 3.28Å; D266-C270 PolarHBondContact O-SG 3.41Å; S267-C270 PolarHBondContact O-N 2.96Å; W268-C270 VanDerWaalsContact C-N 3.3Å; W268-C270 PolarHBondContact O-N 3.3Å; C270-F274 WeakPolarHBondContact O-CB 3.31Å; C270-F274 PolarHBondContact O-N 2.83Å |
| 271 | I | 92.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.7 | -45.9 | 177 | -66.8 | 162.3 | 0 | 0 | 0 | 110.4 | L179 V253 L256 L263 S267 W268 F274 C275 T356 | L179-I271 HydrophobicContact CD1-CG1 3.77Å; V253-I271 HydrophobicContact CG1-CG2 4.07Å; L256-I271 HydrophobicContact CD2-CD1 3.68Å; L256-I271 HydrophobicContact CD2-CG1 4Å; L256-I271 HydrophobicContact CG-CD1 4.35Å; L263-I271 HydrophobicContact CD1-CD1 4.06Å; L263-I271 HydrophobicContact CD2-CD1 4.1Å; S267-I271 VanDerWaalsContact O-CG1 3.28Å; S267-I271 WeakPolarHBondContact O-CG1 3.4Å; S267-I271 PolarHBondContact O-N 3.48Å; W268-I271 PolarHBondContact O-N 2.69Å; I271-F274 WeakPolarHBondContact O-CB 3.27Å; I271-F274 PolarHBondContact O-N 3.18Å; I271-C275 PolarHBondContact O-N 3.45Å; I271-C275 PolarHBondContact O-SG 2.75Å; I271-C275 VanDerWaalsContact O-SG 3.36Å; I271-T356 HydrophobicContact CG2-CG2 3.5Å |
| 272 | L | 92.7 | Very high | 86.8 | Confident | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.1 | -40.3 | 179.5 | -64.1 | 178 | 0 | 0 | 0 | 112 | W268 F274 C275 L276 T356 W357 A360 P366 L370 | W268-L272 VanDerWaalsContact O-CG 3.3Å; W268-L272 WeakPolarHBondContact O-CG 3.38Å; W268-L272 PolarHBondContact O-N 3.23Å; L272-F274 VanDerWaalsContact C-N 3.35Å; L272-F274 PolarHBondContact O-N 2.58Å; L272-C275 PolarHBondContact O-N 2.74Å; L272-L276 WeakPolarHBondContact O-CG 3.47Å; L272-L276 PolarHBondContact O-N 2.82Å; L272-T356 HydrophobicContact CD2-CG2 4.27Å; L272-W357 HydrophobicContact CB-CE3 4.4Å; L272-W357 HydrophobicContact CB-CZ3 4.04Å; L272-W357 HydrophobicContact CD2-CB 4.37Å; L272-W357 HydrophobicContact CD2-CD2 4.03Å; L272-W357 HydrophobicContact CD2-CE3 3.69Å; L272-W357 HydrophobicContact CD2-CG 4.37Å; L272-W357 HydrophobicContact CD2-CZ3 4.21Å; L272-W357 HydrophobicContact CG-CE3 4.42Å; L272-W357 HydrophobicContact CG-CZ3 4.49Å; L272-A360 HydrophobicContact CD1-CB 3.84Å; L272-A360 HydrophobicContact CD2-CB 4.02Å; L272-A360 HydrophobicContact CG-CB 4.27Å; L272-P366 HydrophobicContact CD1-CB 3.84Å; L272-P366 HydrophobicContact CD1-CG 3.68Å; L272-L370 HydrophobicContact CB-CD1 4.33Å; L272-L370 HydrophobicContact CD1-CD1 4.06Å |
| 273 | R | 89.7 | Confident | 87.2 | Confident | 36 Ų | 36 | 18.9 Ų | 18.9 | 14% | 0.136 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.7 | -44.1 | 172.1 | -76.1 | 171.6 | -170.8 | -98.4 | 5.8 | 111.8 | T16 F180 D269 L276 I277 L370 | T16-R273 HydrophobicContact CG2-CB 3.87Å; T16-R273 HydrophobicContact CG2-CG 3.97Å; T16-R273 PolarHBondContact OG1-NH1 3.23Å; F180-R273 HydrophobicContact CZ-CB 4.2Å; D269-R273 WeakPolarHBondContact O-CB 3.29Å; D269-R273 VanDerWaalsContact O-CG 3.23Å; D269-R273 WeakPolarHBondContact O-CG 3.39Å; D269-R273 PolarHBondContact O-N 3.08Å; R273-L276 PolarHBondContact O-N 2.88Å; R273-I277 WeakPolarHBondContact O-CD1 3.48Å; R273-I277 VanDerWaalsContact O-CG1 3.28Å; R273-I277 WeakPolarHBondContact O-CG1 3.2Å; R273-I277 PolarHBondContact O-N 3Å; R273-L370 HydrophobicContact CG-CD2 3.8Å |
| 274 | F | 90.5 | Very high | 87 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -60 | -47.9 | 175.9 | 170.5 | -96.2 | 0 | 0 | 0 | 112.3 | L179 L182 T183 V249 V253 C270 I271 L272 L276 I277 I278 | L179-F274 HydrophobicContact CB-CB 4.17Å; L179-F274 HydrophobicContact CB-CD2 3.8Å; L179-F274 HydrophobicContact CB-CE2 4.38Å; L179-F274 HydrophobicContact CB-CG 4.04Å; L179-F274 HydrophobicContact CD2-CD1 3.9Å; L179-F274 HydrophobicContact CD2-CD2 4.12Å; L179-F274 HydrophobicContact CD2-CE1 4.04Å; L179-F274 HydrophobicContact CD2-CE2 4.24Å; L179-F274 HydrophobicContact CD2-CG 3.92Å; L179-F274 HydrophobicContact CD2-CZ 4.18Å; L179-F274 HydrophobicContact CG-CG 4.46Å; L179-F274 WeakPolarHBondContact O-CD2 3.17Å; L179-F274 WeakPolarHBondContact O-CE2 3.37Å; L182-F274 HydrophobicContact CB-CE2 4.02Å; L182-F274 HydrophobicContact CB-CZ 4.48Å; L182-F274 HydrophobicContact CD2-CE2 4.16Å; L182-F274 HydrophobicContact CD2-CZ 3.8Å; L182-F274 HydrophobicContact CG-CE2 4.23Å; L182-F274 HydrophobicContact CG-CZ 4.23Å; T183-F274 HydrophobicContact CG2-CD2 3.66Å; T183-F274 HydrophobicContact CG2-CE2 3.89Å; V249-F274 HydrophobicContact CG1-CE1 4.05Å; V249-F274 HydrophobicContact CG1-CZ 3.76Å; V253-F274 HydrophobicContact CG2-CD1 4.27Å; V253-F274 HydrophobicContact CG2-CE1 3.68Å; C270-F274 WeakPolarHBondContact O-CB 3.31Å; C270-F274 PolarHBondContact O-N 2.83Å; I271-F274 WeakPolarHBondContact O-CB 3.27Å; I271-F274 PolarHBondContact O-N 3.18Å; L272-F274 VanDerWaalsContact C-N 3.35Å; L272-F274 PolarHBondContact O-N 2.58Å; F274-L276 VanDerWaalsContact C-N 3.34Å; F274-L276 PolarHBondContact O-N 3.34Å; F274-I277 PolarHBondContact O-N 2.81Å; F274-I278 HydrophobicContact CD1-CD1 4.1Å; F274-I278 HydrophobicContact CD2-CD1 4.26Å; F274-I278 HydrophobicContact CE1-CD1 3.42Å; F274-I278 VanDerWaalsContact CE1-CD1 3.42Å; F274-I278 HydrophobicContact CE2-CD1 3.63Å; F274-I278 HydrophobicContact CE2-CG1 4.43Å; F274-I278 HydrophobicContact CG-CD1 4.48Å; F274-I278 HydrophobicContact CZ-CD1 3.18Å; F274-I278 HydrophobicContact CZ-CG1 4.36Å; F274-I278 PolarHBondContact O-N 3.26Å; F274-I278 VanDerWaalsContact O-N 3.07Å |
| 275 | C | 91.8 | Very high | 86.6 | Confident | 2 Ų | 2 | 15 Ų | 15 | 1% | 0.014 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -60.1 | -41.9 | 175.1 | -66.2 | 0 | 0 | 0 | 0 | 112.2 | I271 L272 I277 I278 C279 L353 | I271-C275 PolarHBondContact O-N 3.45Å; I271-C275 PolarHBondContact O-SG 2.75Å; I271-C275 VanDerWaalsContact O-SG 3.36Å; L272-C275 PolarHBondContact O-N 2.74Å; C275-I277 PolarHBondContact O-N 3.3Å; C275-I278 PolarHBondContact O-N 3Å; C275-C279 WeakPolarHBondContact O-CB 3.37Å; C275-C279 PolarHBondContact O-N 2.77Å; C275-C279 PolarHBondContact O-SG 3.21Å; C275-L353 HydrophobicContact CB-CD1 3.6Å |
| 276 | L | 89.9 | Confident | 85.9 | Confident | 7 Ų | 7 | 12.7 Ų | 12.7 | 4% | 0.037 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -61.1 | -42.9 | 175.7 | -72.6 | 174.7 | 0 | 0 | 0 | 112.4 | L272 R273 F274 H280 L353 W357 A373 F374 C377 W381 | L272-L276 WeakPolarHBondContact O-CG 3.47Å; L272-L276 PolarHBondContact O-N 2.82Å; R273-L276 PolarHBondContact O-N 2.88Å; F274-L276 VanDerWaalsContact C-N 3.34Å; F274-L276 PolarHBondContact O-N 3.34Å; L276-H280 VanDerWaalsContact O-CB 3.31Å; L276-H280 WeakPolarHBondContact O-CB 3.38Å; L276-H280 PolarHBondContact O-N 2.89Å; L276-L353 HydrophobicContact CD2-CD1 4.21Å; L276-W357 HydrophobicContact CD1-CH2 4.09Å; L276-W357 HydrophobicContact CD1-CZ3 4Å; L276-W357 HydrophobicContact CD2-CH2 4.5Å; L276-W357 HydrophobicContact CD2-CZ3 3.94Å; L276-W357 HydrophobicContact CG-CH2 4.47Å; L276-W357 HydrophobicContact CG-CZ3 3.9Å; L276-A373 HydrophobicContact CD1-CB 4.04Å; L276-F374 HydrophobicContact CD2-CB 3.96Å; L276-F374 HydrophobicContact CD2-CD2 3.87Å; L276-F374 HydrophobicContact CD2-CG 4.09Å; L276-C377 HydrophobicContact CD2-CB 4.37Å; L276-W381 HydrophobicContact CD2-CH2 3.9Å; L276-W381 HydrophobicContact CD2-CZ3 4.44Å |
| 277 | I | 84.7 | Confident | 85.1 | Confident | 13 Ų | 13 | 8.8 Ų | 8.8 | 7% | 0.067 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -64 | -45.6 | 178.6 | -63.1 | 156.4 | 0 | 0 | 0 | 111 | T16 L20 T183 R273 F274 C275 H280 A281 | T16-I277 HydrophobicContact CG2-CD1 3.92Å; T16-I277 HydrophobicContact CG2-CG1 4.33Å; L20-I277 HydrophobicContact CD1-CD1 4.09Å; T183-I277 HydrophobicContact CG2-CB 3.75Å; T183-I277 HydrophobicContact CG2-CD1 4.21Å; T183-I277 HydrophobicContact CG2-CG2 3.46Å; T183-I277 VanDerWaalsContact CG2-CG2 3.46Å; R273-I277 WeakPolarHBondContact O-CD1 3.48Å; R273-I277 VanDerWaalsContact O-CG1 3.28Å; R273-I277 WeakPolarHBondContact O-CG1 3.2Å; R273-I277 PolarHBondContact O-N 3Å; F274-I277 PolarHBondContact O-N 2.81Å; C275-I277 PolarHBondContact O-N 3.3Å; I277-H280 WeakPolarHBondContact O-CB 3.43Å; I277-H280 PolarHBondContact O-N 3.16Å; I277-H280 VanDerWaalsContact O-N 3.13Å; I277-A281 PolarHBondContact O-N 3.42Å |
| 278 | I | 87 | Confident | 83.6 | Confident | 3 Ų | 3 | 9.7 Ų | 9.7 | 2% | 0.015 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -63.6 | -48.3 | 179.6 | -73.1 | 179.8 | 0 | 0 | 0 | 111.3 | T183 F186 V249 F274 C275 H280 A281 I282 V349 | T183-I278 HydrophobicContact CG2-CD1 4.48Å; T183-I278 HydrophobicContact CG2-CG1 3.88Å; F186-I278 HydrophobicContact CD1-CB 4.42Å; F186-I278 HydrophobicContact CD1-CD1 4.5Å; F186-I278 HydrophobicContact CD1-CG1 4.11Å; F186-I278 HydrophobicContact CD1-CG2 3.82Å; F186-I278 HydrophobicContact CD2-CD1 3.81Å; F186-I278 HydrophobicContact CD2-CG1 3.71Å; F186-I278 HydrophobicContact CE1-CB 4.48Å; F186-I278 HydrophobicContact CE1-CD1 4.1Å; F186-I278 HydrophobicContact CE1-CG1 4.17Å; F186-I278 HydrophobicContact CE1-CG2 3.61Å; F186-I278 HydrophobicContact CE2-CD1 3.37Å; F186-I278 HydrophobicContact CE2-CG1 3.82Å; F186-I278 HydrophobicContact CG-CD1 4.36Å; F186-I278 HydrophobicContact CG-CG1 3.87Å; F186-I278 HydrophobicContact CG-CG2 4.44Å; F186-I278 HydrophobicContact CZ-CD1 3.54Å; F186-I278 HydrophobicContact CZ-CG1 4.05Å; F186-I278 HydrophobicContact CZ-CG2 4.11Å; V249-I278 HydrophobicContact CG1-CD1 4.13Å; F274-I278 HydrophobicContact CD1-CD1 4.1Å; F274-I278 HydrophobicContact CD2-CD1 4.26Å; F274-I278 HydrophobicContact CE1-CD1 3.42Å; F274-I278 VanDerWaalsContact CE1-CD1 3.42Å; F274-I278 HydrophobicContact CE2-CD1 3.63Å; F274-I278 HydrophobicContact CE2-CG1 4.43Å; F274-I278 HydrophobicContact CG-CD1 4.48Å; F274-I278 HydrophobicContact CZ-CD1 3.18Å; F274-I278 HydrophobicContact CZ-CG1 4.36Å; F274-I278 PolarHBondContact O-N 3.26Å; F274-I278 VanDerWaalsContact O-N 3.07Å; C275-I278 PolarHBondContact O-N 3Å; I278-H280 PolarHBondContact O-N 3.34Å; I278-A281 PolarHBondContact O-N 2.97Å; I278-I282 HydrophobicContact CG2-CD1 3.95Å; I278-I282 PolarHBondContact O-N 3.19Å; I278-I282 VanDerWaalsContact O-N 3.13Å; I278-V349 HydrophobicContact CG2-CB 4.41Å; I278-V349 HydrophobicContact CG2-CG1 3.93Å |
| 279 | C | 88 | Confident | 81.7 | Confident | 2 Ų | 2 | 11.4 Ų | 11.4 | 1% | 0.014 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -59.6 | -35.5 | 173.6 | -73.4 | 0 | 0 | 0 | 0 | 111 | C275 L283 V349 L353 W381 | C275-C279 WeakPolarHBondContact O-CB 3.37Å; C275-C279 PolarHBondContact O-N 2.77Å; C275-C279 PolarHBondContact O-SG 3.21Å; C279-L283 HydrophobicContact CB-CD1 4.13Å; C279-L283 WeakPolarHBondContact O-CA 3.43Å; C279-L283 WeakPolarHBondContact O-CB 3.27Å; C279-L283 WeakPolarHBondContact O-CG 3.44Å; C279-L283 PolarHBondContact O-N 3.14Å; C279-V349 PolarHBondContact SG-O 3.21Å; C279-V349 VanDerWaalsContact SG-O 3.36Å; C279-L353 HydrophobicContact CB-CD2 4.28Å; C279-W381 VanDerWaalsContact C-CZ2 3.46Å; C279-W381 HydrophobicContact CB-CE3 4.37Å; C279-W381 HydrophobicContact CB-CH2 3.27Å; C279-W381 HydrophobicContact CB-CZ2 3.59Å; C279-W381 HydrophobicContact CB-CZ3 3.73Å |
| 280 | H | 84.4 | Confident | 79.7 | Confident | 11 Ų | 11 | 11.1 Ų | 11.1 | 5% | 0.051 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -66.6 | -46.9 | 176.5 | -151.7 | 83.7 | 0 | 0 | 0 | 112.6 | Y6 L276 I277 I278 I282 S284 W381 I459 | Y6-H280 AromaticContact CE1-CD2 3.83Å; Y6-H280 AromaticContact CE1-NE2 3.5Å; L276-H280 VanDerWaalsContact O-CB 3.31Å; L276-H280 WeakPolarHBondContact O-CB 3.38Å; L276-H280 PolarHBondContact O-N 2.89Å; I277-H280 WeakPolarHBondContact O-CB 3.43Å; I277-H280 PolarHBondContact O-N 3.16Å; I277-H280 VanDerWaalsContact O-N 3.13Å; I278-H280 PolarHBondContact O-N 3.34Å; H280-I282 VanDerWaalsContact C-N 3.26Å; H280-I282 PolarHBondContact O-N 3.39Å; H280-S284 WeakPolarHBondContact O-CB 3.47Å; H280-S284 PolarHBondContact O-N 3.35Å; H280-S284 PolarHBondContact O-OG 2.83Å; H280-S284 VanDerWaalsContact O-OG 3.08Å; H280-W381 HydrophobicContact CB-CZ2 3.85Å; H280-W381 AromaticContact CE1-NE1 3.96Å; H280-W381 AromaticContact CG-NE1 3.9Å; H280-W381 AromaticContact ND1-CE2 3.83Å; H280-W381 AromaticContact ND1-CZ2 3.84Å; H280-W381 AromaticContact ND1-NE1 3.31Å; H280-W381 PolarHBondContact ND1-NE1 3.49Å; H280-I459 WeakPolarHBondContact NE2-CD1 3.35Å |
| 281 | A | 78.5 | Confident | 77.5 | Confident | 17 Ų | 17 | 12.7 Ų | 12.7 | 14% | 0.14 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -60.2 | -34.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | F186 I277 I278 | F186-A281 HydrophobicContact CB-CB 4Å; F186-A281 WeakPolarHBondContact O-CB 3.42Å; I277-A281 PolarHBondContact O-N 3.42Å; I278-A281 PolarHBondContact O-N 2.97Å |
| 282 | I | 81 | Confident | 75.3 | Confident | 20 Ų | 20 | 15.1 Ų | 15.1 | 10% | 0.103 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -90.5 | -38.3 | -177.3 | -69.8 | 165.3 | 0 | 0 | 0 | 112.7 | F186 I246 I278 H280 P285 I345 V349 | F186-I282 HydrophobicContact CD1-CD1 3.87Å; F186-I282 HydrophobicContact CD1-CG1 4.46Å; F186-I282 HydrophobicContact CE1-CD1 3.99Å; I246-I282 HydrophobicContact CD1-CD1 4.03Å; I278-I282 HydrophobicContact CG2-CD1 3.95Å; I278-I282 PolarHBondContact O-N 3.19Å; I278-I282 VanDerWaalsContact O-N 3.13Å; H280-I282 VanDerWaalsContact C-N 3.26Å; H280-I282 PolarHBondContact O-N 3.39Å; I282-P285 WeakPolarHBondContact O-CD 3.09Å; I282-I345 HydrophobicContact CD1-CG2 4.22Å; I282-I345 HydrophobicContact CG2-CG2 3.95Å; I282-V349 HydrophobicContact CB-CG2 4.39Å; I282-V349 HydrophobicContact CD1-CB 4.5Å; I282-V349 HydrophobicContact CD1-CG1 3.68Å; I282-V349 HydrophobicContact CD1-CG2 4.25Å; I282-V349 HydrophobicContact CG2-CG2 4.07Å |
| 283 | L | 84 | Confident | 72.8 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -101.8 | -7.9 | -171.6 | -53.5 | 173.4 | 0 | 0 | 0 | 113.8 | C279 V349 W381 H383 H384 F387 | C279-L283 HydrophobicContact CB-CD1 4.13Å; C279-L283 WeakPolarHBondContact O-CA 3.43Å; C279-L283 WeakPolarHBondContact O-CB 3.27Å; C279-L283 WeakPolarHBondContact O-CG 3.44Å; C279-L283 PolarHBondContact O-N 3.14Å; L283-V349 HydrophobicContact CG-CG2 4.49Å; L283-W381 HydrophobicContact CB-CB 3.87Å; L283-W381 VanDerWaalsContact CB-CD1 3.48Å; L283-W381 HydrophobicContact CB-CD2 4.14Å; L283-W381 HydrophobicContact CB-CG 3.56Å; L283-W381 HydrophobicContact CD1-CB 4.21Å; L283-W381 HydrophobicContact CD1-CD2 4.01Å; L283-W381 HydrophobicContact CD1-CE3 4.13Å; L283-W381 HydrophobicContact CD1-CG 4.07Å; L283-W381 HydrophobicContact CG-CG 4.48Å; L283-H383 PolarHBondContact O-CE1 2.97Å; L283-H384 HydrophobicContact CD2-CB 4.12Å; L283-H384 PolarHBondContact O-CD2 3.36Å; L283-H384 PolarHBondContact O-NE2 3.01Å; L283-F387 HydrophobicContact CD1-CB 4.44Å; L283-F387 HydrophobicContact CD1-CD2 4.39Å |
| 284 | S | 79.5 | Confident | 70.3 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -71 | -33.6 | 171.4 | 80.9 | 0 | 0 | 0 | 0 | 115.5 | H280 | H280-S284 WeakPolarHBondContact O-CB 3.47Å; H280-S284 PolarHBondContact O-N 3.35Å; H280-S284 PolarHBondContact O-OG 2.83Å; H280-S284 VanDerWaalsContact O-OG 3.08Å |
| 285 | P | 76.3 | Confident | 67.5 | Low | 9 Ų | 9 | 30.3 Ų | 30.3 | 6% | 0.058 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -69.1 | 153.8 | -177.9 | -19.9 | 33.8 | 0 | 0 | 0 | 113.4 | F202 I282 H383 H384 Y463 | F202-P285 HydrophobicContact CE1-CB 4.37Å; F202-P285 HydrophobicContact CE1-CG 4.07Å; I282-P285 WeakPolarHBondContact O-CD 3.09Å; P285-H383 PolarHBondContact O-NE2 3.2Å; P285-H384 PolarHBondContact O-NE2 2.81Å; P285-Y463 HydrophobicContact CB-CE2 4.47Å |
| 286 | P | 71.4 | Confident | 64.5 | Low | 3 Ų | 3 | 34.5 Ų | 34.5 | 2% | 0.019 | 20% | 0.202 | C | C | . | . | P | Polyproline II helix | trans | -67 | 154.5 | 175 | 28 | -34.9 | 0 | 0 | 0 | 112.8 | F460 R471 I472 T475 | P286-F460 HydrophobicContact CB-CE1 3.92Å; P286-F460 HydrophobicContact CB-CZ 4.01Å; P286-R471 HydrophobicContact CB-CB 4.28Å; P286-R471 HydrophobicContact CG-CB 4.11Å; P286-I472 HydrophobicContact CB-CG1 4.19Å; P286-I472 HydrophobicContact CG-CG1 4.35Å; P286-T475 WeakPolarHBondContact CB-OG1 3.32Å |
| 287 | L | 67.6 | Low | 61.6 | Low | 21 Ų | 21 | 40.5 Ų | 40.5 | 11% | 0.11 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -71.4 | 153.7 | -178.6 | -81.3 | 171.5 | 0 | 0 | 0 | 113.1 | F342 H383 T475 Y478 | L287-F342 HydrophobicContact CD2-CE1 4.39Å; L287-H383 WeakPolarHBondContact CD1-O 3.49Å; L287-T475 HydrophobicContact CB-CG2 4.35Å; L287-T475 HydrophobicContact CD1-CG2 4.44Å; L287-T475 PolarHBondContact N-OG1 2.9Å; L287-Y478 HydrophobicContact CB-CD2 4.49Å; L287-Y478 HydrophobicContact CB-CE2 4.41Å; L287-Y478 HydrophobicContact CD1-CD1 4.48Å; L287-Y478 HydrophobicContact CD1-CD2 3.71Å; L287-Y478 HydrophobicContact CD1-CE2 4.17Å; L287-Y478 HydrophobicContact CD1-CG 3.89Å |
| 288 | H | 58.4 | Low | 58.9 | Low | 26 Ų | 26 | 46 Ų | 46 | 12% | 0.12 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -103.3 | 154.5 | -176.9 | -65.2 | -85.8 | 0 | 0 | 0 | 113.1 | L205 R471 | L205-H288 WeakPolarHBondContact CB-CE1 3.37Å; L205-H288 PolarHBondContact O-CE1 3.2Å; L205-H288 PolarHBondContact O-ND1 2.87Å; H288-R471 PolarHBondContact CE1-NH1 3.29Å |
| 289 | L | 50.9 | Low | 56 | Low | 39 Ų | 39 | 49.6 Ų | 49.6 | 20% | 0.204 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -94.9 | 133.1 | -179.2 | -170.6 | 79.3 | 0 | 0 | 0 | 111 | S291 L293 L294 W474 | L289-S291 PolarHBondContact O-N 3.24Å; L289-L293 HydrophobicContact CD1-CD1 4.42Å; L289-L294 HydrophobicContact CD2-CD1 3.9Å; L289-W474 HydrophobicContact CD1-CD2 3.8Å; L289-W474 HydrophobicContact CD1-CE3 3.71Å; L289-W474 HydrophobicContact CD1-CG 4.18Å; L289-W474 HydrophobicContact CD1-CZ3 4.17Å; L289-W474 HydrophobicContact CD2-CZ2 4.49Å |
| 290 | P | 47.9 | Very low | 53 | Low | 6 Ų | 6 | 54.4 Ų | 54.4 | 4% | 0.039 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -72.7 | 116.3 | 159.8 | -12 | 28 | 0 | 0 | 0 | 109.6 | G292 A339 L525 | P290-G292 PolarHBondContact O-N 3.24Å; P290-A339 HydrophobicContact CG-CB 4.12Å; P290-L525 HydrophobicContact CB-CD2 4.43Å; P290-L525 HydrophobicContact CG-CD1 4.32Å; P290-L525 HydrophobicContact CG-CD2 4.31Å |
| 291 | S | 42.4 | Very low | 50.2 | Low | 50 Ų | 50 | 59.3 Ų | 59.3 | 35% | 0.35 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -64.5 | 11.6 | -168.2 | -53.4 | 0 | 0 | 0 | 0 | 117.3 | L289 L293 | L289-S291 PolarHBondContact O-N 3.24Å; S291-L293 VanDerWaalsContact C-N 3.27Å; S291-L293 PolarHBondContact O-N 2.69Å |
| 292 | G | 45.2 | Very low | 47.9 | Very low | 51 Ų | 51 | 68.1 Ų | 68.1 | 53% | 0.526 | 43% | 0.427 | S | S | . | . | G | 310 helix | trans | -79.4 | 5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | P290 | P290-G292 PolarHBondContact O-N 3.24Š|
| 293 | L | 40.9 | Very low | 45.2 | Very low | 57 Ų | 57 | 75.8 Ų | 75.8 | 30% | 0.298 | 47% | 0.465 | S | S | . | . | G | 310 helix | trans | -110.9 | 0.1 | -178 | -73.8 | 172 | 0 | 0 | 0 | 114.7 | L289 S291 Q295 L525 | L289-L293 HydrophobicContact CD1-CD1 4.42Å; S291-L293 VanDerWaalsContact C-N 3.27Å; S291-L293 PolarHBondContact O-N 2.69Å; L293-Q295 VanDerWaalsContact C-N 3.27Å; L293-Q295 PolarHBondContact O-N 3.14Å; L293-L525 HydrophobicContact CD1-CD1 3.92Å; L293-L525 HydrophobicContact CD1-CD2 4.28Å; L293-L525 HydrophobicContact CD1-CG 4.12Å |
| 294 | L | 37.1 | Very low | 42.4 | Very low | 114 Ų | 114 | 82.6 Ų | 82.6 | 60% | 0.597 | 50% | 0.5 | S | S | * | . | trans | -79.7 | 71 | 173.6 | -85.5 | 118.3 | 0 | 0 | 0 | 112.1 | L289 | L289-L294 HydrophobicContact CD2-CD1 3.9Š| ||
| 295 | Q | 31.4 | Very low | 39.9 | Very low | 186 Ų | 186 | 89.6 Ų | 89.6 | 87% | 0.869 | 54% | 0.537 | S | S | * | . | trans | -129.2 | 104.6 | 151.4 | -76.1 | -171.4 | -8.7 | 0 | 0 | 108.3 | L293 | L293-Q295 VanDerWaalsContact C-N 3.27Å; L293-Q295 PolarHBondContact O-N 3.14Å | ||
| 296 | S | 27.9 | Very low | 37.7 | Very low | 90 Ų | 90 | 95.8 Ų | 95.8 | 63% | 0.629 | 58% | 0.575 | S | S | * | * | trans | -72.5 | 135.4 | 179.9 | 53.3 | 0 | 0 | 0 | 0 | 111.5 | T298 | S296-T298 VanDerWaalsContact C-N 3.33Å; S296-T298 PolarHBondContact O-N 3.24Å | ||
| 297 | P | 29 | Very low | 35.5 | Very low | 132 Ų | 132 | 104.8 Ų | 104.8 | 86% | 0.857 | 61% | 0.614 | S | S | * | * | trans | -76.8 | 86.4 | 161 | 32.3 | -31.3 | 0 | 0 | 0 | 109 | G299 | P297-G299 PolarHBondContact O-N 3.17Š| ||
| 298 | T | 27.9 | Very low | 33.7 | Very low | 129 Ų | 129 | 111 Ų | 111 | 79% | 0.791 | 65% | 0.646 | S | S | * | * | trans | -76.5 | 109.4 | 168 | 43 | 0 | 0 | 0 | 0 | 109.9 | S296 | S296-T298 VanDerWaalsContact C-N 3.33Å; S296-T298 PolarHBondContact O-N 3.24Å | ||
| 299 | G | 26.6 | Very low | 32.4 | Very low | 78 Ų | 78 | 115 Ų | 115 | 80% | 0.804 | 68% | 0.676 | S | S | * | * | trans | 142.4 | 74.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | P297 | P297-G299 PolarHBondContact O-N 3.17Š| ||
| 300 | A | 25 | Very low | 31.4 | Very low | 103 Ų | 103 | 116.8 Ų | 116.8 | 85% | 0.851 | 71% | 0.705 | S | S | * | * | trans | -152.8 | 47 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 301 | S | 26.1 | Very low | 30.5 | Very low | 114 Ų | 114 | 122.5 Ų | 122.5 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | trans | -162.9 | 78.2 | 169.6 | 58.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 302 | Q | 29.5 | Very low | 29.9 | Very low | 203 Ų | 203 | 123.5 Ų | 123.5 | 95% | 0.949 | 76% | 0.763 | S | S | * | * | trans | -170.2 | 133.4 | 140.6 | -106 | 168.1 | 20.6 | 0 | 0 | 109.9 | ||||
| 303 | M | 23.9 | Very low | 29.2 | Very low | 180 Ų | 180 | 126.8 Ų | 126.8 | 89% | 0.887 | 78% | 0.778 | S | S | * | * | trans | -93.5 | 168.3 | 171.4 | -83.7 | -161.2 | -94 | 0 | 0 | 110.7 | ||||
| 304 | I | 26.5 | Very low | 28.5 | Very low | 143 Ų | 143 | 130.7 Ų | 130.7 | 73% | 0.733 | 80% | 0.804 | S | S | * | * | trans | 101.4 | 110.7 | 159.9 | -55.7 | 168.9 | 0 | 0 | 0 | 116.1 | ||||
| 305 | N | 26.8 | Very low | 28.2 | Very low | 148 Ų | 148 | 128.7 Ų | 128.7 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | trans | 62 | 148.6 | 159 | -54.5 | -15.7 | 0 | 0 | 0 | 117.4 | ||||
| 306 | T | 29.8 | Very low | 28.1 | Very low | 138 Ų | 138 | 123.4 Ų | 123.4 | 85% | 0.847 | 81% | 0.807 | S | S | * | * | cis | -151.1 | 168.7 | 15.8 | -32.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 307 | F | 24.5 | Very low | 28.3 | Very low | 193 Ų | 193 | 124.9 Ų | 124.9 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | trans | -71.9 | 167.3 | 177 | -96.5 | -101 | 0 | 0 | 0 | 116.1 | ||||
| 308 | I | 29.7 | Very low | 28.2 | Very low | 150 Ų | 150 | 126.2 Ų | 126.2 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | trans | 115.2 | 125.6 | 146.3 | -73.5 | 139.5 | 0 | 0 | 0 | 120.9 | ||||
| 309 | S | 31.9 | Very low | 28.2 | Very low | 110 Ų | 110 | 126.2 Ų | 126.2 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | trans | 71.2 | 110.1 | 152.1 | 62.4 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 310 | G | 29.5 | Very low | 28.2 | Very low | 77 Ų | 77 | 131.5 Ų | 131.5 | 79% | 0.794 | 83% | 0.825 | S | S | * | * | 75.4 | 150.5 | 118.9 | 0 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 311 | S | 28.8 | Very low | 28.1 | Very low | 126 Ų | 126 | 131.1 Ų | 131.1 | 88% | 0.881 | 82% | 0.822 | S | S | * | * | cis | -173 | 150.4 | -8.9 | 54 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 312 | G | 31 | Very low | 28.1 | Very low | 72 Ų | 72 | 132.8 Ų | 132.8 | 74% | 0.742 | 82% | 0.821 | S | S | * | * | trans | 113.9 | 111.1 | 167 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 313 | S | 29.7 | Very low | 27.9 | Very low | 119 Ų | 119 | 132 Ų | 132 | 83% | 0.832 | 82% | 0.823 | S | S | * | * | 76.8 | 127.6 | 65.1 | -176.2 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 314 | V | 26.9 | Very low | 27.9 | Very low | 139 Ų | 139 | 127.4 Ų | 127.4 | 84% | 0.842 | 81% | 0.808 | S | S | * | * | cis | -161.7 | 154.4 | -0.8 | 124.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 315 | G | 29.9 | Very low | 27.9 | Very low | 72 Ų | 72 | 128.3 Ų | 128.3 | 74% | 0.742 | 81% | 0.814 | S | S | * | * | trans | 113.6 | 115.9 | 141.3 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 316 | G | 28.9 | Very low | 28 | Very low | 76 Ų | 76 | 130.3 Ų | 130.3 | 78% | 0.784 | 82% | 0.819 | S | S | * | * | trans | 90.1 | 108.6 | 135.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 317 | P | 32.8 | Very low | 27.9 | Very low | 120 Ų | 120 | 129.6 Ų | 129.6 | 78% | 0.779 | 82% | 0.819 | S | S | * | * | trans | -91 | 131.2 | 169 | 34.5 | -29.8 | 0 | 0 | 0 | 112 | ||||
| 318 | N | 25.9 | Very low | 28 | Very low | 161 Ų | 161 | 123 Ų | 123 | 86% | 0.861 | 81% | 0.806 | S | S | * | * | trans | 168.7 | 115.8 | 145.7 | -91.8 | -28.3 | 0 | 0 | 0 | 111.2 | ||||
| 319 | S | 28.8 | Very low | 27.8 | Very low | 128 Ų | 128 | 123.9 Ų | 123.9 | 90% | 0.895 | 80% | 0.804 | S | S | * | * | trans | -175.8 | 99.6 | 143.8 | -83.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 320 | M | 26 | Very low | 28 | Very low | 189 Ų | 189 | 123.5 Ų | 123.5 | 93% | 0.931 | 80% | 0.799 | S | S | * | * | trans | -77.7 | 155.3 | 153.1 | -92.5 | -97.2 | -80.5 | 0 | 0 | 109.1 | ||||
| 321 | A | 23.9 | Very low | 28.2 | Very low | 95 Ų | 95 | 124.5 Ų | 124.5 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | 73.9 | 88.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 322 | L | 24.5 | Very low | 28.4 | Very low | 150 Ų | 150 | 122.1 Ų | 122.1 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | trans | -154.5 | 89.5 | 149.5 | -114.8 | 167.1 | 0 | 0 | 0 | 110.8 | ||||
| 323 | L | 26.3 | Very low | 28.6 | Very low | 187 Ų | 187 | 128.3 Ų | 128.3 | 98% | 0.979 | 76% | 0.761 | S | S | * | * | trans | -134.4 | 69.6 | 159.6 | -83.5 | -179.1 | 0 | 0 | 0 | 109.2 | ||||
| 324 | S | 24.2 | Very low | 29.1 | Very low | 83 Ų | 83 | 123.3 Ų | 123.3 | 58% | 0.58 | 73% | 0.726 | S | S | * | * | trans | -104 | 115.4 | 160.9 | 53.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 325 | N | 26.8 | Very low | 29.9 | Very low | 161 Ų | 161 | 118.2 Ų | 118.2 | 86% | 0.861 | 69% | 0.694 | S | S | * | * | trans | 23 | 97.9 | 160.8 | -65.6 | -15.2 | 0 | 0 | 0 | 117.9 | ||||
| 326 | H | 28.7 | Very low | 30.7 | Very low | 191 Ų | 191 | 118.5 Ų | 118.5 | 88% | 0.884 | 67% | 0.674 | S | S | * | * | trans | -113.2 | 121.5 | 139.7 | -90.7 | -75.4 | 0 | 0 | 0 | 109.9 | ||||
| 327 | S | 26.3 | Very low | 32 | Very low | 123 Ų | 123 | 119 Ų | 119 | 86% | 0.86 | 66% | 0.659 | S | S | * | * | trans | -65.6 | 124.5 | 173.8 | 46.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 328 | G | 26.7 | Very low | 33.1 | Very low | 55 Ų | 55 | 113.9 Ų | 113.9 | 57% | 0.567 | 63% | 0.626 | S | S | * | * | trans | 172.9 | 13.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 329 | F | 26.7 | Very low | 34.8 | Very low | 167 Ų | 167 | 107.2 Ų | 107.2 | 73% | 0.732 | 59% | 0.593 | S | S | * | * | trans | -143.6 | 86.2 | 176.4 | -75.3 | -74.6 | 0 | 0 | 0 | 113.9 | I332 | F329-I332 HydrophobicContact CD1-CD1 4.25Š| ||
| 330 | P | 35.3 | Very low | 36.5 | Very low | 103 Ų | 103 | 102.6 Ų | 102.6 | 67% | 0.669 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -76.8 | -38.8 | 171.8 | -12.7 | 29.3 | 0 | 0 | 0 | 113.3 | I332 R333 | P330-I332 PolarHBondContact O-N 2.76Å; P330-R333 PolarHBondContact O-N 2.96Å |
| 331 | E | 33.6 | Very low | 38.6 | Very low | 98 Ų | 98 | 94.6 Ų | 94.6 | 46% | 0.458 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.6 | -36.1 | -168.5 | -70.8 | 178.7 | 113.6 | 0 | 0 | 114.6 | R333 S334 I335 | E331-R333 PolarHBondContact O-N 3.27Å; E331-S334 PolarHBondContact O-OG 2.83Å; E331-I335 WeakPolarHBondContact O-CD1 3.38Å; E331-I335 WeakPolarHBondContact O-CG1 3.17Å; E331-I335 PolarHBondContact O-N 3.32Å |
| 332 | I | 33.6 | Very low | 40.9 | Very low | 76 Ų | 76 | 91.3 Ų | 91.3 | 39% | 0.39 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -70 | -22.5 | -176.6 | -60.8 | 176.2 | 0 | 0 | 0 | 111.6 | F329 P330 K336 | F329-I332 HydrophobicContact CD1-CD1 4.25Å; P330-I332 PolarHBondContact O-N 2.76Å; I332-K336 WeakPolarHBondContact O-CG 3.25Å |
| 333 | R | 35.9 | Very low | 43.2 | Very low | 201 Ų | 201 | 86.5 Ų | 86.5 | 76% | 0.758 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -79.4 | -53.6 | 175 | -76 | -172.1 | 177.9 | -177.4 | 0.5 | 112.1 | P330 E331 I335 K336 D337 | P330-R333 PolarHBondContact O-N 2.96Å; E331-R333 PolarHBondContact O-N 3.27Å; R333-I335 PolarHBondContact O-N 3.09Å; R333-I335 VanDerWaalsContact O-N 3.14Å; R333-K336 WeakPolarHBondContact O-CB 3.31Å; R333-K336 PolarHBondContact O-N 2.62Å; R333-D337 PolarHBondContact O-N 2.85Å |
| 334 | S | 40.2 | Very low | 45.8 | Very low | 15 Ų | 15 | 79.7 Ų | 79.7 | 11% | 0.105 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -58.7 | -32.7 | -176.2 | 53.9 | 0 | 0 | 0 | 0 | 112.9 | S232 E331 D337 S338 | S232-S334 VanDerWaalsContact CB-OG 3.31Å; S232-S334 WeakPolarHBondContact CB-OG 3.46Å; S232-S334 PolarHBondContact OG-OG 3.27Å; E331-S334 PolarHBondContact O-OG 2.83Å; S334-D337 PolarHBondContact O-N 3.29Å; S334-S338 PolarHBondContact O-N 3.32Å; S334-S338 VanDerWaalsContact O-N 3.14Å |
| 335 | I | 42.9 | Very low | 48.5 | Very low | 31 Ų | 31 | 76 Ų | 76 | 16% | 0.159 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -78.2 | -33.3 | 179.8 | -59.9 | 170.3 | 0 | 0 | 0 | 111.7 | E331 R333 D337 S338 A339 | E331-I335 WeakPolarHBondContact O-CD1 3.38Å; E331-I335 WeakPolarHBondContact O-CG1 3.17Å; E331-I335 PolarHBondContact O-N 3.32Å; R333-I335 PolarHBondContact O-N 3.09Å; R333-I335 VanDerWaalsContact O-N 3.14Å; I335-D337 VanDerWaalsContact C-N 3.31Å; I335-D337 PolarHBondContact O-N 3Å; I335-S338 PolarHBondContact O-N 3.1Å; I335-S338 PolarHBondContact O-OG 3.22Å; I335-A339 PolarHBondContact O-N 3.05Å |
| 336 | K | 46.7 | Very low | 51.3 | Low | 78 Ų | 78 | 68.4 Ų | 68.4 | 34% | 0.339 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.7 | -39.5 | 168.2 | -80.4 | -176.5 | 168.7 | -156 | 0 | 111.9 | I332 R333 S338 T340 S528 | I332-K336 WeakPolarHBondContact O-CG 3.25Å; R333-K336 WeakPolarHBondContact O-CB 3.31Å; R333-K336 PolarHBondContact O-N 2.62Å; K336-S338 VanDerWaalsContact C-N 3.3Å; K336-S338 PolarHBondContact O-N 2.84Å; K336-T340 WeakPolarHBondContact O-CG2 3.22Å; K336-T340 PolarHBondContact O-N 3.43Å; K336-T340 PolarHBondContact O-OG1 3.1Å; K336-S528 VanDerWaalsContact NZ-CB 3.31Å; K336-S528 PolarHBondContact NZ-OG 2.63Å |
| 337 | D | 55.5 | Low | 54 | Low | 87 Ų | 87 | 61 Ų | 61 | 47% | 0.465 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66.9 | -31.3 | 177.5 | -60.3 | -26.9 | 0 | 0 | 0 | 111.9 | R333 S334 I335 T340 L341 | R333-D337 PolarHBondContact O-N 2.85Å; S334-D337 PolarHBondContact O-N 3.29Å; I335-D337 VanDerWaalsContact C-N 3.31Å; I335-D337 PolarHBondContact O-N 3Å; D337-T340 WeakPolarHBondContact CA-OG1 3.48Å; D337-T340 PolarHBondContact O-OG1 3.06Å; D337-L341 WeakPolarHBondContact O-CB 3.21Å; D337-L341 PolarHBondContact O-N 3.39Å; D337-L341 VanDerWaalsContact O-N 3.1Å |
| 338 | S | 56.8 | Low | 57 | Low | 13 Ų | 13 | 56.6 Ų | 56.6 | 9% | 0.091 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -71.7 | -44.5 | 178.7 | 73.4 | 0 | 0 | 0 | 0 | 114.1 | S334 I335 K336 L341 F342 | S334-S338 PolarHBondContact O-N 3.32Å; S334-S338 VanDerWaalsContact O-N 3.14Å; I335-S338 PolarHBondContact O-N 3.1Å; I335-S338 PolarHBondContact O-OG 3.22Å; K336-S338 VanDerWaalsContact C-N 3.3Å; K336-S338 PolarHBondContact O-N 2.84Å; S338-L341 PolarHBondContact O-N 3.38Å; S338-F342 PolarHBondContact O-N 2.91Å |
| 339 | A | 61 | Low | 60.1 | Low | 20 Ų | 20 | 54.1 Ų | 54.1 | 17% | 0.165 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -69.1 | -39.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | P290 I335 F342 E343 | P290-A339 HydrophobicContact CG-CB 4.12Å; I335-A339 PolarHBondContact O-N 3.05Å; A339-F342 PolarHBondContact O-N 3.32Å; A339-E343 PolarHBondContact O-N 2.93Å |
| 340 | T | 66 | Low | 63.2 | Low | 31 Ų | 31 | 46.1 Ų | 46.1 | 19% | 0.19 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.5 | -39 | 173.5 | 48.9 | 0 | 0 | 0 | 0 | 111.8 | K336 D337 E343 V344 Y529 F532 | K336-T340 WeakPolarHBondContact O-CG2 3.22Å; K336-T340 PolarHBondContact O-N 3.43Å; K336-T340 PolarHBondContact O-OG1 3.1Å; D337-T340 WeakPolarHBondContact CA-OG1 3.48Å; D337-T340 PolarHBondContact O-OG1 3.06Å; T340-E343 WeakPolarHBondContact O-CB 3.48Å; T340-E343 PolarHBondContact O-N 2.95Å; T340-V344 WeakPolarHBondContact O-CG2 3.34Å; T340-V344 PolarHBondContact O-N 2.95Å; T340-Y529 HydrophobicContact CG2-CD1 4.34Å; T340-Y529 HydrophobicContact CG2-CE1 3.68Å; T340-F532 HydrophobicContact CG2-CZ 4.39Å |
| 341 | L | 69.5 | Low | 65.9 | Low | 21 Ų | 21 | 43.5 Ų | 43.5 | 11% | 0.11 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.3 | -42 | 173.4 | -116.9 | 98.9 | 0 | 0 | 0 | 112.9 | L239 N240 L243 D337 S338 E343 V344 I345 | L239-L341 HydrophobicContact CB-CB 4.4Å; L239-L341 HydrophobicContact CB-CD2 3.63Å; L239-L341 WeakPolarHBondContact O-CD2 3.34Å; N240-L341 HydrophobicContact CB-CD2 4.16Å; N240-L341 VanDerWaalsContact N-CD2 3.33Å; L243-L341 HydrophobicContact CB-CD2 4.3Å; L243-L341 HydrophobicContact CD2-CD2 4.14Å; L243-L341 HydrophobicContact CD2-CG 4.29Å; D337-L341 WeakPolarHBondContact O-CB 3.21Å; D337-L341 PolarHBondContact O-N 3.39Å; D337-L341 VanDerWaalsContact O-N 3.1Å; S338-L341 PolarHBondContact O-N 3.38Å; L341-E343 VanDerWaalsContact C-N 3.3Å; L341-E343 PolarHBondContact O-N 3.34Å; L341-V344 PolarHBondContact O-N 2.85Å; L341-I345 WeakPolarHBondContact O-CG1 3.49Å; L341-I345 PolarHBondContact O-N 2.97Å |
| 342 | F | 72.3 | Confident | 68.8 | Low | 27 Ų | 27 | 39.2 Ų | 39.2 | 12% | 0.118 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.1 | -37.7 | 177.1 | -174.5 | -85.3 | 0 | 0 | 0 | 111.8 | L287 S338 A339 I345 S346 H384 | L287-F342 HydrophobicContact CD2-CE1 4.39Å; S338-F342 PolarHBondContact O-N 2.91Å; A339-F342 PolarHBondContact O-N 3.32Å; F342-I345 PolarHBondContact O-N 2.98Å; F342-S346 VanDerWaalsContact CE1-OG 3.31Å; F342-S346 WeakPolarHBondContact CE1-OG 3.04Å; F342-S346 WeakPolarHBondContact O-CB 2.98Å; F342-S346 PolarHBondContact O-N 3.38Å; F342-S346 PolarHBondContact O-OG 3.41Å; F342-H384 AromaticContact CE1-CE1 3.54Å; F342-H384 AromaticContact CE1-ND1 3.77Å; F342-H384 AromaticContact CZ-CE1 3.88Å |
| 343 | E | 73.2 | Confident | 71.7 | Confident | 49 Ų | 49 | 35.6 Ų | 35.6 | 23% | 0.229 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.8 | -43.4 | 172.6 | -165.2 | -173.5 | 161.9 | 0 | 0 | 111.6 | A339 T340 L341 S346 D347 Y385 | A339-E343 PolarHBondContact O-N 2.93Å; T340-E343 WeakPolarHBondContact O-CB 3.48Å; T340-E343 PolarHBondContact O-N 2.95Å; L341-E343 VanDerWaalsContact C-N 3.3Å; L341-E343 PolarHBondContact O-N 3.34Å; E343-S346 PolarHBondContact O-N 2.85Å; E343-D347 WeakPolarHBondContact O-CB 3.3Å; E343-D347 PolarHBondContact O-N 2.93Å; E343-Y385 HydrophobicContact CG-CD1 4.33Å; E343-Y385 WeakPolarHBondContact OE1-CD1 3.48Å; E343-Y385 WeakPolarHBondContact OE1-CE1 3.47Å |
| 344 | V | 78.9 | Confident | 74.5 | Confident | 43 Ų | 43 | 26.2 Ų | 26.2 | 26% | 0.261 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -63.8 | -42.8 | 174.9 | 174.3 | 0 | 0 | 0 | 0 | 112.2 | L243 T340 L341 S346 D347 C348 F532 | L243-V344 HydrophobicContact CD1-CG1 3.94Å; L243-V344 HydrophobicContact CD2-CG1 3.93Å; T340-V344 WeakPolarHBondContact O-CG2 3.34Å; T340-V344 PolarHBondContact O-N 2.95Å; L341-V344 PolarHBondContact O-N 2.85Å; V344-S346 VanDerWaalsContact C-N 3.3Å; V344-S346 PolarHBondContact O-N 3.46Å; V344-D347 PolarHBondContact O-N 2.88Å; V344-C348 VanDerWaalsContact O-CB 3.3Å; V344-C348 WeakPolarHBondContact O-CB 3.45Å; V344-C348 PolarHBondContact O-N 3.49Å; V344-F532 HydrophobicContact CG2-CD1 4.07Å; V344-F532 HydrophobicContact CG2-CE1 3.22Å; V344-F532 HydrophobicContact CG2-CZ 3.48Å; V344-F532 VanDerWaalsContact CG2-CZ 3.48Å |
| 345 | I | 82.5 | Confident | 77 | Confident | 6 Ų | 6 | 27 Ų | 27 | 3% | 0.031 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59 | -45.9 | 175 | -71.8 | 167.8 | 0 | 0 | 0 | 109.8 | L239 L243 I246 I282 L341 F342 C348 V349 | L239-I345 HydrophobicContact CD2-CD1 4.22Å; L243-I345 HydrophobicContact CB-CD1 4.29Å; L243-I345 HydrophobicContact CB-CG1 4Å; L243-I345 HydrophobicContact CD1-CG1 3.74Å; L243-I345 HydrophobicContact CG-CG1 4.37Å; I246-I345 HydrophobicContact CD1-CG1 4.32Å; I246-I345 HydrophobicContact CD1-CG2 3.55Å; I282-I345 HydrophobicContact CD1-CG2 4.22Å; I282-I345 HydrophobicContact CG2-CG2 3.95Å; L341-I345 WeakPolarHBondContact O-CG1 3.49Å; L341-I345 PolarHBondContact O-N 2.97Å; F342-I345 PolarHBondContact O-N 2.98Å; I345-C348 WeakPolarHBondContact O-CB 3.39Å; I345-C348 PolarHBondContact O-N 2.7Å; I345-V349 PolarHBondContact O-N 2.84Å; I345-V349 VanDerWaalsContact O-N 3.1Å |
| 346 | S | 84.5 | Confident | 79.5 | Confident | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.007 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.8 | -39.6 | 179.1 | -58 | 0 | 0 | 0 | 0 | 112.5 | F342 E343 V344 S350 A386 | F342-S346 VanDerWaalsContact CE1-OG 3.31Å; F342-S346 WeakPolarHBondContact CE1-OG 3.04Å; F342-S346 WeakPolarHBondContact O-CB 2.98Å; F342-S346 PolarHBondContact O-N 3.38Å; F342-S346 PolarHBondContact O-OG 3.41Å; E343-S346 PolarHBondContact O-N 2.85Å; V344-S346 VanDerWaalsContact C-N 3.3Å; V344-S346 PolarHBondContact O-N 3.46Å; S346-S350 VanDerWaalsContact O-CB 3.24Å; S346-S350 WeakPolarHBondContact O-CB 3.46Å; S346-S350 PolarHBondContact O-N 3.02Å; S346-S350 PolarHBondContact O-OG 3.29Å; S346-A386 VanDerWaalsContact C-CB 3.43Å |
| 347 | D | 85.5 | Confident | 81.8 | Confident | 37 Ų | 37 | 21.8 Ų | 21.8 | 20% | 0.198 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -69.9 | -37.3 | 177.1 | -154.4 | 25.9 | 0 | 0 | 0 | 111.2 | E343 V344 T351 A386 K389 Q390 | E343-D347 WeakPolarHBondContact O-CB 3.3Å; E343-D347 PolarHBondContact O-N 2.93Å; V344-D347 PolarHBondContact O-N 2.88Å; D347-T351 WeakPolarHBondContact O-CB 3.42Å; D347-T351 PolarHBondContact O-N 2.95Å; D347-T351 PolarHBondContact O-OG1 2.84Å; D347-A386 HydrophobicContact CB-CB 4.08Å; D347-K389 IonicContact OD1-NZ 2.72Å; D347-K389 IonicContact OD2-NZ 3.53Å; D347-K389 PolarHBondContact OD2-NZ 2.71Å; D347-Q390 PolarHBondContact OD1-NE2 2.99Å |
| 348 | C | 90.1 | Very high | 83.6 | Confident | 30 Ų | 30 | 17.8 Ų | 17.8 | 20% | 0.203 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -59.2 | -55 | 174.2 | -174.1 | 0 | 0 | 0 | 0 | 111.4 | V344 I345 T351 L352 | V344-C348 VanDerWaalsContact O-CB 3.3Å; V344-C348 WeakPolarHBondContact O-CB 3.45Å; V344-C348 PolarHBondContact O-N 3.49Å; I345-C348 WeakPolarHBondContact O-CB 3.39Å; I345-C348 PolarHBondContact O-N 2.7Å; C348-T351 PolarHBondContact O-N 3.13Å; C348-L352 WeakPolarHBondContact O-CB 3.28Å; C348-L352 PolarHBondContact O-N 2.92Å |
| 349 | V | 90.4 | Very high | 85.3 | Confident | 2 Ų | 2 | 19.6 Ų | 19.6 | 1% | 0.012 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -71.7 | -33.2 | -177.8 | -58.8 | 0 | 0 | 0 | 0 | 112.9 | I246 I278 C279 I282 L283 I345 L352 L353 | I246-V349 HydrophobicContact CG2-CG1 3.68Å; I278-V349 HydrophobicContact CG2-CB 4.41Å; I278-V349 HydrophobicContact CG2-CG1 3.93Å; C279-V349 PolarHBondContact SG-O 3.21Å; C279-V349 VanDerWaalsContact SG-O 3.36Å; I282-V349 HydrophobicContact CB-CG2 4.39Å; I282-V349 HydrophobicContact CD1-CB 4.5Å; I282-V349 HydrophobicContact CD1-CG1 3.68Å; I282-V349 HydrophobicContact CD1-CG2 4.25Å; I282-V349 HydrophobicContact CG2-CG2 4.07Å; L283-V349 HydrophobicContact CG-CG2 4.49Å; I345-V349 PolarHBondContact O-N 2.84Å; I345-V349 VanDerWaalsContact O-N 3.1Å; V349-L352 PolarHBondContact O-N 2.82Å; V349-L353 WeakPolarHBondContact O-CB 3.35Å; V349-L353 PolarHBondContact O-N 3.4Å |
| 350 | S | 92.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.1 | -43.4 | 172.6 | -58.5 | 0 | 0 | 0 | 0 | 111.2 | S346 L353 F354 | S346-S350 VanDerWaalsContact O-CB 3.24Å; S346-S350 WeakPolarHBondContact O-CB 3.46Å; S346-S350 PolarHBondContact O-N 3.02Å; S346-S350 PolarHBondContact O-OG 3.29Å; S350-L353 PolarHBondContact O-N 3.38Å; S350-F354 WeakPolarHBondContact O-CD2 3.37Å; S350-F354 PolarHBondContact O-N 2.83Å; S350-F354 VanDerWaalsContact O-N 3.07Å |
| 351 | T | 92.5 | Very high | 88.1 | Confident | 47 Ų | 47 | 17.1 Ų | 17.1 | 29% | 0.288 | 9% | 0.094 | S | C | . | . | H | α-helix | trans | -63.8 | -45.7 | 176.5 | -57.6 | 0 | 0 | 0 | 0 | 111 | D347 C348 L353 F354 S355 Q390 | D347-T351 WeakPolarHBondContact O-CB 3.42Å; D347-T351 PolarHBondContact O-N 2.95Å; D347-T351 PolarHBondContact O-OG1 2.84Å; C348-T351 PolarHBondContact O-N 3.13Å; T351-L353 VanDerWaalsContact C-N 3.33Å; T351-L353 PolarHBondContact O-N 2.05Å; T351-F354 PolarHBondContact O-N 3.46Å; T351-S355 WeakPolarHBondContact O-CB 3.24Å; T351-S355 PolarHBondContact O-N 2.87Å; T351-Q390 PolarHBondContact OG1-NE2 3.47Å |
| 352 | L | 93.8 | Very high | 89.1 | Confident | 9 Ų | 9 | 17 Ų | 17 | 5% | 0.047 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -56.5 | -47.1 | 175.8 | 178.2 | 66.4 | 0 | 0 | 0 | 111.4 | A250 V253 E254 C348 V349 T356 | A250-L352 HydrophobicContact CB-CD1 4.14Å; A250-L352 HydrophobicContact CB-CD2 3.97Å; A250-L352 HydrophobicContact CB-CG 4.44Å; V253-L352 HydrophobicContact CB-CD1 4.13Å; V253-L352 HydrophobicContact CG1-CD1 4.03Å; E254-L352 HydrophobicContact CG-CD1 3.85Å; C348-L352 WeakPolarHBondContact O-CB 3.28Å; C348-L352 PolarHBondContact O-N 2.92Å; V349-L352 PolarHBondContact O-N 2.82Å; L352-T356 WeakPolarHBondContact O-CB 3.45Å; L352-T356 PolarHBondContact O-N 3.07Å; L352-T356 PolarHBondContact O-OG1 3.39Å |
| 353 | L | 95.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.8 | -55.7 | 179.3 | 179.6 | 66.6 | 0 | 0 | 0 | 111.1 | C275 L276 C279 V349 S350 T351 S355 T356 W357 F374 W381 | C275-L353 HydrophobicContact CB-CD1 3.6Å; L276-L353 HydrophobicContact CD2-CD1 4.21Å; C279-L353 HydrophobicContact CB-CD2 4.28Å; V349-L353 WeakPolarHBondContact O-CB 3.35Å; V349-L353 PolarHBondContact O-N 3.4Å; S350-L353 PolarHBondContact O-N 3.38Å; T351-L353 VanDerWaalsContact C-N 3.33Å; T351-L353 PolarHBondContact O-N 2.05Å; L353-S355 PolarHBondContact O-N 2.96Å; L353-T356 PolarHBondContact O-N 3.43Å; L353-W357 HydrophobicContact CD1-CE3 3.83Å; L353-W357 HydrophobicContact CD1-CZ3 4.24Å; L353-W357 VanDerWaalsContact O-CB 3.22Å; L353-W357 WeakPolarHBondContact O-CB 3.45Å; L353-W357 PolarHBondContact O-N 2.95Å; L353-F374 HydrophobicContact CD2-CD2 4.16Å; L353-F374 HydrophobicContact CD2-CE2 3.45Å; L353-F374 VanDerWaalsContact CD2-CE2 3.45Å; L353-F374 HydrophobicContact CD2-CZ 3.8Å; L353-F374 HydrophobicContact CG-CE2 4.28Å; L353-F374 HydrophobicContact CG-CZ 4.19Å; L353-W381 HydrophobicContact CD2-CH2 4.15Å; L353-W381 HydrophobicContact CD2-CZ3 3.57Å |
| 354 | F | 95.3 | Very high | 90.7 | Very high | 4 Ų | 4 | 18.6 Ų | 18.6 | 2% | 0.018 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -63.8 | -42.6 | -178.6 | -81.7 | -75.3 | 0 | 0 | 0 | 112.8 | S350 T351 W357 L358 F374 F387 Q390 W391 V394 I438 L441 | S350-F354 WeakPolarHBondContact O-CD2 3.37Å; S350-F354 PolarHBondContact O-N 2.83Å; S350-F354 VanDerWaalsContact O-N 3.07Å; T351-F354 PolarHBondContact O-N 3.46Å; F354-W357 PolarHBondContact O-N 3.42Å; F354-L358 WeakPolarHBondContact O-CG 3.42Å; F354-L358 PolarHBondContact O-N 2.9Å; F354-F374 HydrophobicContact CD1-CZ 4.44Å; F354-F374 HydrophobicContact CE1-CE1 4.43Å; F354-F374 AromaticContact CE1-CZ 3.94Å; F354-F374 HydrophobicContact CE1-CZ 3.94Å; F354-F374 AromaticContact CZ-CZ 3.99Å; F354-F374 HydrophobicContact CZ-CZ 3.99Å; F354-F387 HydrophobicContact CE2-CD2 4.18Å; F354-F387 AromaticContact CE2-CE2 3.78Å; F354-F387 HydrophobicContact CE2-CE2 3.78Å; F354-F387 HydrophobicContact CE2-CZ 4.48Å; F354-F387 HydrophobicContact CZ-CE2 4.05Å; F354-F387 HydrophobicContact CZ-CZ 4.33Å; F354-Q390 HydrophobicContact CD2-CB 3.68Å; F354-Q390 HydrophobicContact CE2-CB 3.93Å; F354-W391 HydrophobicContact CE2-CB 4.46Å; F354-W391 HydrophobicContact CZ-CB 3.97Å; F354-V394 HydrophobicContact CB-CG2 4.01Å; F354-V394 HydrophobicContact CD1-CB 4.21Å; F354-V394 HydrophobicContact CD1-CG1 4.16Å; F354-V394 HydrophobicContact CD1-CG2 4.04Å; F354-V394 HydrophobicContact CG-CG2 4.06Å; F354-I438 HydrophobicContact CE1-CG2 4.14Å; F354-L441 HydrophobicContact CE1-CD1 3.95Å; F354-L441 HydrophobicContact CZ-CD1 4.19Å |
| 355 | S | 92.7 | Very high | 91.3 | Very high | 30 Ų | 30 | 19.6 Ų | 19.6 | 21% | 0.21 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -57.9 | -49.8 | 175.9 | 175.6 | 0 | 0 | 0 | 0 | 111.5 | T351 L353 L358 K359 | T351-S355 WeakPolarHBondContact O-CB 3.24Å; T351-S355 PolarHBondContact O-N 2.87Å; L353-S355 PolarHBondContact O-N 2.96Å; S355-L358 PolarHBondContact O-N 3.36Å; S355-K359 WeakPolarHBondContact O-CG 3.46Å; S355-K359 PolarHBondContact O-N 2.88Å |
| 356 | T | 93.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.006 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -68.7 | -37.6 | -179.7 | -52.8 | 0 | 0 | 0 | 0 | 111.7 | V253 W268 I271 L272 L352 L353 K359 A360 | V253-T356 HydrophobicContact CG1-CG2 4.37Å; W268-T356 HydrophobicContact CZ3-CG2 4.49Å; I271-T356 HydrophobicContact CG2-CG2 3.5Å; L272-T356 HydrophobicContact CD2-CG2 4.27Å; L352-T356 WeakPolarHBondContact O-CB 3.45Å; L352-T356 PolarHBondContact O-N 3.07Å; L352-T356 PolarHBondContact O-OG1 3.39Å; L353-T356 PolarHBondContact O-N 3.43Å; T356-K359 PolarHBondContact O-N 3.43Å; T356-A360 WeakPolarHBondContact O-CB 3.19Å; T356-A360 PolarHBondContact O-N 3.25Å |
| 357 | W | 95.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.2 | -41.7 | 177.2 | -152.8 | -76.5 | 0 | 0 | 0 | 112 | L272 L276 L353 F354 A360 C361 P366 L370 W371 F374 | L272-W357 HydrophobicContact CB-CE3 4.4Å; L272-W357 HydrophobicContact CB-CZ3 4.04Å; L272-W357 HydrophobicContact CD2-CB 4.37Å; L272-W357 HydrophobicContact CD2-CD2 4.03Å; L272-W357 HydrophobicContact CD2-CE3 3.69Å; L272-W357 HydrophobicContact CD2-CG 4.37Å; L272-W357 HydrophobicContact CD2-CZ3 4.21Å; L272-W357 HydrophobicContact CG-CE3 4.42Å; L272-W357 HydrophobicContact CG-CZ3 4.49Å; L276-W357 HydrophobicContact CD1-CH2 4.09Å; L276-W357 HydrophobicContact CD1-CZ3 4Å; L276-W357 HydrophobicContact CD2-CH2 4.5Å; L276-W357 HydrophobicContact CD2-CZ3 3.94Å; L276-W357 HydrophobicContact CG-CH2 4.47Å; L276-W357 HydrophobicContact CG-CZ3 3.9Å; L353-W357 HydrophobicContact CD1-CE3 3.83Å; L353-W357 HydrophobicContact CD1-CZ3 4.24Å; L353-W357 VanDerWaalsContact O-CB 3.22Å; L353-W357 WeakPolarHBondContact O-CB 3.45Å; L353-W357 PolarHBondContact O-N 2.95Å; F354-W357 PolarHBondContact O-N 3.42Å; W357-A360 WeakPolarHBondContact O-CB 3.37Å; W357-A360 PolarHBondContact O-N 2.91Å; W357-C361 PolarHBondContact O-N 3.45Å; W357-C361 PolarHBondContact O-SG 3.38Å; W357-P366 HydrophobicContact CZ2-CB 4.33Å; W357-L370 HydrophobicContact CH2-CB 4.01Å; W357-L370 WeakPolarHBondContact CH2-O 3.31Å; W357-L370 HydrophobicContact CZ2-CB 4.21Å; W357-W371 AromaticContact CD1-CH2 3.48Å; W357-W371 VanDerWaalsContact CD1-CH2 3.48Å; W357-W371 AromaticContact CD1-CZ2 3.87Å; W357-W371 AromaticContact CD1-CZ3 3.85Å; W357-W371 HydrophobicContact CZ2-CD2 4.15Å; W357-W371 HydrophobicContact CZ2-CE3 4.15Å; W357-W371 AromaticContact NE1-CD2 3.73Å; W357-W371 AromaticContact NE1-CE2 3.55Å; W357-W371 AromaticContact NE1-CE3 3.52Å; W357-W371 AromaticContact NE1-CH2 3.08Å; W357-W371 AromaticContact NE1-CZ2 3.26Å; W357-W371 VanDerWaalsContact NE1-CZ2 3.26Å; W357-W371 AromaticContact NE1-CZ3 3.2Å; W357-F374 AromaticContact CD2-CD1 3.68Å; W357-F374 HydrophobicContact CD2-CD1 3.68Å; W357-F374 AromaticContact CD2-CE1 3.86Å; W357-F374 HydrophobicContact CD2-CE1 3.86Å; W357-F374 AromaticContact CE2-CD1 3.57Å; W357-F374 AromaticContact CE3-CD1 3.82Å; W357-F374 HydrophobicContact CE3-CD1 3.82Å; W357-F374 HydrophobicContact CE3-CE1 4.09Å; W357-F374 HydrophobicContact CE3-CG 4.37Å; W357-F374 HydrophobicContact CG-CD1 4.38Å; W357-F374 HydrophobicContact CG-CE1 4.16Å; W357-F374 HydrophobicContact CH2-CB 3.6Å; W357-F374 AromaticContact CH2-CD1 3.87Å; W357-F374 HydrophobicContact CH2-CD1 3.87Å; W357-F374 HydrophobicContact CH2-CG 4.01Å; W357-F374 HydrophobicContact CZ2-CB 3.92Å; W357-F374 AromaticContact CZ2-CD1 3.68Å; W357-F374 HydrophobicContact CZ2-CD1 3.68Å; W357-F374 HydrophobicContact CZ2-CG 4.22Å; W357-F374 HydrophobicContact CZ3-CB 4.09Å; W357-F374 AromaticContact CZ3-CD1 3.92Å; W357-F374 HydrophobicContact CZ3-CD1 3.92Å; W357-F374 HydrophobicContact CZ3-CG 4.08Å |
| 358 | L | 94.1 | Very high | 92.2 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -68.6 | -40.5 | 175.9 | -69.1 | 174.6 | 0 | 0 | 0 | 112.2 | F354 S355 A360 C361 T362 V394 L398 L421 I422 P423 I438 | F354-L358 WeakPolarHBondContact O-CG 3.42Å; F354-L358 PolarHBondContact O-N 2.9Å; S355-L358 PolarHBondContact O-N 3.36Å; L358-A360 VanDerWaalsContact C-N 3.31Å; L358-A360 PolarHBondContact O-N 3Å; L358-C361 WeakPolarHBondContact O-CA 3.22Å; L358-C361 WeakPolarHBondContact O-CB 3.39Å; L358-C361 PolarHBondContact O-N 3.32Å; L358-C361 VanDerWaalsContact O-N 3.11Å; L358-T362 PolarHBondContact O-N 2.86Å; L358-T362 PolarHBondContact O-OG1 2.76Å; L358-V394 HydrophobicContact CD1-CG1 3.91Å; L358-L398 HydrophobicContact CD2-CD1 4.28Å; L358-L398 HydrophobicContact CD2-CD2 4.24Å; L358-L421 WeakPolarHBondContact CD1-O 3.38Å; L358-I422 HydrophobicContact CD1-CD1 3.8Å; L358-P423 HydrophobicContact CB-CG 3.98Å; L358-I438 HydrophobicContact CD2-CD1 3.88Å |
| 359 | K | 91.9 | Very high | 92.1 | Very high | 51 Ų | 51 | 29.9 Ų | 29.9 | 22% | 0.222 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.7 | -40.6 | 171.3 | -71.7 | 175.5 | -177.4 | 174.9 | 0 | 111.8 | C257 W268 S355 T356 C361 T362 H363 P423 | C257-K359 HydrophobicContact CB-CD 3.99Å; W268-K359 HydrophobicContact CH2-CB 3.95Å; W268-K359 HydrophobicContact CZ3-CB 4.22Å; S355-K359 WeakPolarHBondContact O-CG 3.46Å; S355-K359 PolarHBondContact O-N 2.88Å; T356-K359 PolarHBondContact O-N 3.43Å; K359-C361 VanDerWaalsContact C-N 3.35Å; K359-C361 PolarHBondContact O-N 2.84Å; K359-T362 VanDerWaalsContact O-CB 3.3Å; K359-T362 WeakPolarHBondContact O-CB 3.18Å; K359-T362 PolarHBondContact O-N 3.07Å; K359-T362 VanDerWaalsContact O-N 3.1Å; K359-H363 PolarHBondContact O-CD2 3.31Å; K359-H363 PolarHBondContact O-N 3.48Å; K359-P423 HydrophobicContact CG-CG 4.26Å |
| 360 | A | 92.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.6 | -43.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | W268 L272 T356 W357 L358 T362 H363 C364 P366 | W268-A360 HydrophobicContact CD2-CB 4.19Å; W268-A360 HydrophobicContact CE3-CB 3.53Å; W268-A360 HydrophobicContact CZ3-CB 3.9Å; L272-A360 HydrophobicContact CD1-CB 3.84Å; L272-A360 HydrophobicContact CD2-CB 4.02Å; L272-A360 HydrophobicContact CG-CB 4.27Å; T356-A360 WeakPolarHBondContact O-CB 3.19Å; T356-A360 PolarHBondContact O-N 3.25Å; W357-A360 WeakPolarHBondContact O-CB 3.37Å; W357-A360 PolarHBondContact O-N 2.91Å; L358-A360 VanDerWaalsContact C-N 3.31Å; L358-A360 PolarHBondContact O-N 3Å; A360-T362 PolarHBondContact O-N 3.02Å; A360-T362 VanDerWaalsContact O-N 3.15Å; A360-H363 PolarHBondContact O-N 3.17Å; A360-H363 VanDerWaalsContact O-N 3.15Å; A360-C364 CarbonylContact O-C 3.47Å; A360-C364 WeakPolarHBondContact O-CA 3.41Å; A360-C364 PolarHBondContact O-N 3.06Å; A360-P366 HydrophobicContact CB-CG 4.19Å |
| 361 | C | 93.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.6 | -24.4 | 174.1 | -61.3 | 0 | 0 | 0 | 0 | 113.3 | W357 L358 K359 F365 L426 N430 S434 | W357-C361 PolarHBondContact O-N 3.45Å; W357-C361 PolarHBondContact O-SG 3.38Å; L358-C361 WeakPolarHBondContact O-CA 3.22Å; L358-C361 WeakPolarHBondContact O-CB 3.39Å; L358-C361 PolarHBondContact O-N 3.32Å; L358-C361 VanDerWaalsContact O-N 3.11Å; K359-C361 VanDerWaalsContact C-N 3.35Å; K359-C361 PolarHBondContact O-N 2.84Å; C361-F365 HydrophobicContact CB-CD2 4.18Å; C361-F365 HydrophobicContact CB-CE2 4.19Å; C361-L426 VanDerWaalsContact C-CD1 3.46Å; C361-L426 HydrophobicContact CB-CD1 3.83Å; C361-L426 WeakPolarHBondContact O-CD1 3.48Å; C361-N430 PolarHBondContact O-ND2 3.49Å; C361-S434 WeakPolarHBondContact CB-OG 3.28Å; C361-S434 PolarHBondContact SG-OG 3.29Å |
| 362 | T | 90.6 | Very high | 91.9 | Very high | 17 Ų | 17 | 31.2 Ų | 31.2 | 10% | 0.104 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -74.3 | -43.4 | 173.6 | -54.9 | 0 | 0 | 0 | 0 | 112.8 | L358 K359 A360 D425 | L358-T362 PolarHBondContact O-N 2.86Å; L358-T362 PolarHBondContact O-OG1 2.76Å; K359-T362 VanDerWaalsContact O-CB 3.3Å; K359-T362 WeakPolarHBondContact O-CB 3.18Å; K359-T362 PolarHBondContact O-N 3.07Å; K359-T362 VanDerWaalsContact O-N 3.1Å; A360-T362 PolarHBondContact O-N 3.02Å; A360-T362 VanDerWaalsContact O-N 3.15Å; T362-D425 HydrophobicContact CG2-CB 3.95Å; T362-D425 WeakPolarHBondContact CG2-O 3.13Å |
| 363 | H | 89.2 | Confident | 91.6 | Very high | 85 Ų | 85 | 31 Ų | 31 | 39% | 0.394 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -108.9 | -30.4 | -167.1 | -57.2 | -62.5 | 0 | 0 | 0 | 115.2 | P260 W268 K359 A360 | P260-H363 HydrophobicContact CB-CB 4.25Å; P260-H363 WeakPolarHBondContact CB-CD2 3.15Å; P260-H363 VanDerWaalsContact CB-CG 3.49Å; P260-H363 WeakPolarHBondContact CB-NE2 3.41Å; P260-H363 VanDerWaalsContact CG-CE1 3.45Å; P260-H363 WeakPolarHBondContact CG-CE1 3.33Å; P260-H363 WeakPolarHBondContact CG-NE2 3.43Å; W268-H363 HydrophobicContact CZ2-CB 4.11Å; W268-H363 AromaticContact CZ2-CD2 3.88Å; K359-H363 PolarHBondContact O-CD2 3.31Å; K359-H363 PolarHBondContact O-N 3.48Å; A360-H363 PolarHBondContact O-N 3.17Å; A360-H363 VanDerWaalsContact O-N 3.15Å |
| 364 | C | 89.4 | Confident | 91.5 | Very high | 26 Ų | 26 | 31 Ų | 31 | 18% | 0.176 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -154.1 | 91.6 | 179.3 | 176.6 | 0 | 0 | 0 | 0 | 109.1 | S265 W268 A360 | S265-C364 VanDerWaalsContact CB-SG 3.58Å; S265-C364 PolarHBondContact OG-SG 3.33Å; W268-C364 HydrophobicContact CB-CB 4.28Å; W268-C364 HydrophobicContact CG-CB 4.02Å; A360-C364 CarbonylContact O-C 3.47Å; A360-C364 WeakPolarHBondContact O-CA 3.41Å; A360-C364 PolarHBondContact O-N 3.06Å |
| 365 | F | 91.7 | Very high | 91.3 | Very high | 63 Ų | 63 | 35.5 Ų | 35.5 | 28% | 0.276 | 18% | 0.178 | S | C | . | . | P | Polyproline II helix | trans | -54.9 | 125.4 | -173.2 | -161.8 | -88.3 | 0 | 0 | 0 | 111.7 | C361 W371 N430 E433 S434 | C361-F365 HydrophobicContact CB-CD2 4.18Å; C361-F365 HydrophobicContact CB-CE2 4.19Å; F365-W371 HydrophobicContact CE1-CZ2 4.24Å; F365-W371 AromaticContact CE1-NE1 3.45Å; F365-W371 HydrophobicContact CE2-CZ2 4.49Å; F365-W371 AromaticContact CZ-CZ2 3.82Å; F365-W371 HydrophobicContact CZ-CZ2 3.82Å; F365-W371 AromaticContact CZ-NE1 3.95Å; F365-N430 HydrophobicContact CD2-CB 4.06Å; F365-N430 HydrophobicContact CE2-CB 4.21Å; F365-E433 HydrophobicContact CE1-CG 3.88Å; F365-E433 HydrophobicContact CE2-CB 4.2Å; F365-E433 HydrophobicContact CE2-CG 4.2Å; F365-E433 HydrophobicContact CZ-CB 3.9Å; F365-E433 HydrophobicContact CZ-CG 3.44Å; F365-E433 VanDerWaalsContact CZ-CG 3.44Å; F365-S434 WeakPolarHBondContact CE2-OG 3.35Å |
| 366 | P | 92.8 | Very high | 91 | Very high | 3 Ų | 3 | 35.5 Ų | 35.5 | 2% | 0.019 | 18% | 0.175 | C | C | . | . | P | Polyproline II helix | trans | -63.3 | 139.1 | -168.7 | -23.9 | 33.2 | 0 | 0 | 0 | 113.4 | L272 W357 A360 L370 W371 | L272-P366 HydrophobicContact CD1-CB 3.84Å; L272-P366 HydrophobicContact CD1-CG 3.68Å; W357-P366 HydrophobicContact CZ2-CB 4.33Å; A360-P366 HydrophobicContact CB-CG 4.19Å; P366-L370 HydrophobicContact CB-CB 4.43Å; P366-L370 HydrophobicContact CB-CD1 4.39Å; P366-W371 HydrophobicContact CG-CZ2 4.42Å; P366-W371 VanDerWaalsContact O-CD1 3.26Å; P366-W371 PolarHBondContact O-NE1 2.83Å |
| 367 | K | 90.7 | Very high | 90.7 | Very high | 79 Ų | 79 | 35.5 Ų | 35.5 | 34% | 0.343 | 18% | 0.175 | S | C | . | . | P | Polyproline II helix | trans | -58.1 | 146.3 | 179.9 | -62.6 | 174.6 | -167.3 | 156.5 | 0 | 110.8 | D266 D269 Q369 L370 | D266-K367 IonicContact OD1-NZ 2.65Å; D266-K367 PolarHBondContact OD1-NZ 3.42Å; D269-K367 IonicContact OD1-NZ 3.22Å; D269-K367 VanDerWaalsContact OD2-CD 3.27Å; D269-K367 WeakPolarHBondContact OD2-CD 3.35Å; D269-K367 VanDerWaalsContact OD2-CE 3.23Å; D269-K367 WeakPolarHBondContact OD2-CE 3.4Å; D269-K367 IonicContact OD2-NZ 3.68Å; D269-K367 PolarHBondContact OD2-NZ 2.79Å; K367-Q369 PolarHBondContact O-N 2.94Å; K367-L370 WeakPolarHBondContact O-CB 3.19Å; K367-L370 PolarHBondContact O-N 2.87Å |
| 368 | P | 89.2 | Confident | 90.4 | Very high | 90 Ų | 90 | 35.5 Ų | 35.5 | 58% | 0.584 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -52.5 | -35 | -176.2 | -30 | 35.9 | 0 | 0 | 0 | 115.1 | L370 W371 V372 | P368-L370 VanDerWaalsContact C-N 3.32Å; P368-L370 PolarHBondContact O-N 2.85Å; P368-W371 PolarHBondContact O-N 3.38Å; P368-V372 WeakPolarHBondContact O-CG2 3.48Å; P368-V372 PolarHBondContact O-N 3.26Å |
| 369 | Q | 87.7 | Confident | 90 | Very high | 118 Ų | 118 | 38.3 Ų | 38.3 | 55% | 0.551 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -61.2 | -35.2 | 176.4 | -67.3 | 173.2 | -10.1 | 0 | 0 | 113.2 | E12 K367 V372 A373 | E12-Q369 HydrophobicContact CG-CB 4.38Å; K367-Q369 PolarHBondContact O-N 2.94Å; Q369-V372 PolarHBondContact O-N 3.23Å; Q369-A373 WeakPolarHBondContact O-CB 3.41Å; Q369-A373 PolarHBondContact O-N 3.28Å |
| 370 | L | 89.8 | Confident | 89.5 | Confident | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -70.7 | -37 | 176.7 | -68 | 178.2 | 0 | 0 | 0 | 111.6 | D269 L272 R273 W357 P366 K367 P368 A373 F374 | D269-L370 HydrophobicContact CB-CD1 4.3Å; D269-L370 VanDerWaalsContact OD1-CD1 3.28Å; D269-L370 WeakPolarHBondContact OD1-CD1 3.38Å; L272-L370 HydrophobicContact CB-CD1 4.33Å; L272-L370 HydrophobicContact CD1-CD1 4.06Å; R273-L370 HydrophobicContact CG-CD2 3.8Å; W357-L370 HydrophobicContact CH2-CB 4.01Å; W357-L370 WeakPolarHBondContact CH2-O 3.31Å; W357-L370 HydrophobicContact CZ2-CB 4.21Å; P366-L370 HydrophobicContact CB-CB 4.43Å; P366-L370 HydrophobicContact CB-CD1 4.39Å; K367-L370 WeakPolarHBondContact O-CB 3.19Å; K367-L370 PolarHBondContact O-N 2.87Å; P368-L370 VanDerWaalsContact C-N 3.32Å; P368-L370 PolarHBondContact O-N 2.85Å; L370-A373 PolarHBondContact O-N 2.73Å; L370-F374 WeakPolarHBondContact O-CB 3.42Å; L370-F374 PolarHBondContact O-N 3.36Å |
| 371 | W | 92.1 | Very high | 89.3 | Confident | 12 Ų | 12 | 36 Ų | 36 | 5% | 0.045 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.2 | -37.9 | 172.7 | -72.5 | 107.3 | 0 | 0 | 0 | 112.5 | W357 F365 P366 P368 F374 R375 R437 I438 | W357-W371 AromaticContact CD1-CH2 3.48Å; W357-W371 VanDerWaalsContact CD1-CH2 3.48Å; W357-W371 AromaticContact CD1-CZ2 3.87Å; W357-W371 AromaticContact CD1-CZ3 3.85Å; W357-W371 HydrophobicContact CZ2-CD2 4.15Å; W357-W371 HydrophobicContact CZ2-CE3 4.15Å; W357-W371 AromaticContact NE1-CD2 3.73Å; W357-W371 AromaticContact NE1-CE2 3.55Å; W357-W371 AromaticContact NE1-CE3 3.52Å; W357-W371 AromaticContact NE1-CH2 3.08Å; W357-W371 AromaticContact NE1-CZ2 3.26Å; W357-W371 VanDerWaalsContact NE1-CZ2 3.26Å; W357-W371 AromaticContact NE1-CZ3 3.2Å; F365-W371 HydrophobicContact CE1-CZ2 4.24Å; F365-W371 AromaticContact CE1-NE1 3.45Å; F365-W371 HydrophobicContact CE2-CZ2 4.49Å; F365-W371 AromaticContact CZ-CZ2 3.82Å; F365-W371 HydrophobicContact CZ-CZ2 3.82Å; F365-W371 AromaticContact CZ-NE1 3.95Å; P366-W371 HydrophobicContact CG-CZ2 4.42Å; P366-W371 VanDerWaalsContact O-CD1 3.26Å; P366-W371 PolarHBondContact O-NE1 2.83Å; P368-W371 PolarHBondContact O-N 3.38Å; W371-F374 HydrophobicContact CE3-CD1 4.4Å; W371-F374 HydrophobicContact CZ3-CD1 4.43Å; W371-F374 PolarHBondContact O-N 3.16Å; W371-R375 WeakPolarHBondContact O-CB 3.29Å; W371-R375 PolarHBondContact O-N 3.3Å; W371-R437 HydrophobicContact CD2-CB 4.15Å; W371-R437 HydrophobicContact CD2-CG 4.39Å; W371-R437 VanDerWaalsContact CE2-CD 3.49Å; W371-R437 HydrophobicContact CE3-CB 3.73Å; W371-R437 HydrophobicContact CE3-CG 4.44Å; W371-R437 HydrophobicContact CH2-CB 3.92Å; W371-R437 HydrophobicContact CZ2-CB 4.36Å; W371-R437 HydrophobicContact CZ3-CB 3.61Å; W371-I438 HydrophobicContact CH2-CD1 4.44Å; W371-I438 HydrophobicContact CH2-CG1 4.18Å; W371-I438 HydrophobicContact CZ3-CG1 3.99Å |
| 372 | V | 89.1 | Confident | 89.2 | Confident | 62 Ų | 62 | 36.6 Ų | 36.6 | 38% | 0.376 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -61.8 | -50.3 | 171.1 | 172.9 | 0 | 0 | 0 | 0 | 110.2 | P368 Q369 F374 R375 E376 | P368-V372 WeakPolarHBondContact O-CG2 3.48Å; P368-V372 PolarHBondContact O-N 3.26Å; Q369-V372 PolarHBondContact O-N 3.23Å; V372-F374 VanDerWaalsContact C-N 3.31Å; V372-F374 PolarHBondContact O-N 3.17Å; V372-R375 PolarHBondContact O-N 2.88Å; V372-E376 WeakPolarHBondContact O-CG 3.07Å; V372-E376 PolarHBondContact O-N 3.32Å |
| 373 | A | 88 | Confident | 88.9 | Confident | 4 Ų | 4 | 35.8 Ų | 35.8 | 3% | 0.033 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.7 | -41.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | E12 L276 Q369 L370 C377 | E12-A373 HydrophobicContact CB-CB 3.88Å; L276-A373 HydrophobicContact CD1-CB 4.04Å; Q369-A373 WeakPolarHBondContact O-CB 3.41Å; Q369-A373 PolarHBondContact O-N 3.28Å; L370-A373 PolarHBondContact O-N 2.73Å; A373-C377 VanDerWaalsContact O-CB 3.32Å; A373-C377 WeakPolarHBondContact O-CB 3.09Å; A373-C377 PolarHBondContact O-N 3.15Å; A373-C377 PolarHBondContact O-SG 3.04Å |
| 374 | F | 93 | Very high | 88.8 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67 | -42.6 | 176.7 | -172.4 | -167.2 | 0 | 0 | 0 | 112.2 | L276 L353 F354 W357 L370 W371 V372 C377 A378 W381 F387 L441 | L276-F374 HydrophobicContact CD2-CB 3.96Å; L276-F374 HydrophobicContact CD2-CD2 3.87Å; L276-F374 HydrophobicContact CD2-CG 4.09Å; L353-F374 HydrophobicContact CD2-CD2 4.16Å; L353-F374 HydrophobicContact CD2-CE2 3.45Å; L353-F374 VanDerWaalsContact CD2-CE2 3.45Å; L353-F374 HydrophobicContact CD2-CZ 3.8Å; L353-F374 HydrophobicContact CG-CE2 4.28Å; L353-F374 HydrophobicContact CG-CZ 4.19Å; F354-F374 HydrophobicContact CD1-CZ 4.44Å; F354-F374 HydrophobicContact CE1-CE1 4.43Å; F354-F374 AromaticContact CE1-CZ 3.94Å; F354-F374 HydrophobicContact CE1-CZ 3.94Å; F354-F374 AromaticContact CZ-CZ 3.99Å; F354-F374 HydrophobicContact CZ-CZ 3.99Å; W357-F374 AromaticContact CD2-CD1 3.68Å; W357-F374 HydrophobicContact CD2-CD1 3.68Å; W357-F374 AromaticContact CD2-CE1 3.86Å; W357-F374 HydrophobicContact CD2-CE1 3.86Å; W357-F374 AromaticContact CE2-CD1 3.57Å; W357-F374 AromaticContact CE3-CD1 3.82Å; W357-F374 HydrophobicContact CE3-CD1 3.82Å; W357-F374 HydrophobicContact CE3-CE1 4.09Å; W357-F374 HydrophobicContact CE3-CG 4.37Å; W357-F374 HydrophobicContact CG-CD1 4.38Å; W357-F374 HydrophobicContact CG-CE1 4.16Å; W357-F374 HydrophobicContact CH2-CB 3.6Å; W357-F374 AromaticContact CH2-CD1 3.87Å; W357-F374 HydrophobicContact CH2-CD1 3.87Å; W357-F374 HydrophobicContact CH2-CG 4.01Å; W357-F374 HydrophobicContact CZ2-CB 3.92Å; W357-F374 AromaticContact CZ2-CD1 3.68Å; W357-F374 HydrophobicContact CZ2-CD1 3.68Å; W357-F374 HydrophobicContact CZ2-CG 4.22Å; W357-F374 HydrophobicContact CZ3-CB 4.09Å; W357-F374 AromaticContact CZ3-CD1 3.92Å; W357-F374 HydrophobicContact CZ3-CD1 3.92Å; W357-F374 HydrophobicContact CZ3-CG 4.08Å; L370-F374 WeakPolarHBondContact O-CB 3.42Å; L370-F374 PolarHBondContact O-N 3.36Å; W371-F374 HydrophobicContact CE3-CD1 4.4Å; W371-F374 HydrophobicContact CZ3-CD1 4.43Å; W371-F374 PolarHBondContact O-N 3.16Å; V372-F374 VanDerWaalsContact C-N 3.31Å; V372-F374 PolarHBondContact O-N 3.17Å; F374-C377 WeakPolarHBondContact O-CB 3.37Å; F374-C377 PolarHBondContact O-N 3.13Å; F374-A378 VanDerWaalsContact O-CB 3.29Å; F374-A378 WeakPolarHBondContact O-CB 3.5Å; F374-A378 PolarHBondContact O-N 3.24Å; F374-W381 HydrophobicContact CD2-CZ3 4.23Å; F374-W381 HydrophobicContact CE2-CZ3 4.13Å; F374-F387 HydrophobicContact CE2-CE2 4.02Å; F374-F387 HydrophobicContact CE2-CZ 4.14Å; F374-L441 HydrophobicContact CB-CD2 4.18Å; F374-L441 HydrophobicContact CD1-CD1 4.06Å; F374-L441 HydrophobicContact CD1-CD2 3.64Å; F374-L441 HydrophobicContact CD2-CD2 4.01Å; F374-L441 HydrophobicContact CE1-CD1 3.5Å; F374-L441 HydrophobicContact CE1-CD2 3.98Å; F374-L441 HydrophobicContact CE1-CG 4.41Å; F374-L441 HydrophobicContact CE2-CD1 4.13Å; F374-L441 HydrophobicContact CE2-CD2 4.27Å; F374-L441 HydrophobicContact CG-CD2 3.66Å; F374-L441 HydrophobicContact CZ-CD1 3.53Å; F374-L441 HydrophobicContact CZ-CD2 4.28Å |
| 375 | R | 90.5 | Very high | 88.5 | Confident | 99 Ų | 99 | 32.9 Ų | 32.9 | 37% | 0.374 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -63.5 | -42 | 176.2 | -178 | 172.7 | 170.3 | -139.7 | 6.1 | 112.3 | W371 V372 A378 R379 L441 D443 | W371-R375 WeakPolarHBondContact O-CB 3.29Å; W371-R375 PolarHBondContact O-N 3.3Å; V372-R375 PolarHBondContact O-N 2.88Å; R375-A378 PolarHBondContact O-N 2.87Å; R375-R379 WeakPolarHBondContact O-CG 3.28Å; R375-R379 PolarHBondContact O-N 3.49Å; R375-L441 HydrophobicContact CB-CD2 4.27Å; R375-D443 IonicContact CZ-OD1 2.7Å; R375-D443 IonicContact CZ-OD2 3.33Å; R375-D443 IonicContact NE-OD1 3.58Å; R375-D443 PolarHBondContact NE-OD1 2.95Å; R375-D443 IonicContact NE-OD2 3.4Å; R375-D443 IonicContact NH2-OD1 3.67Å; R375-D443 PolarHBondContact NH2-OD1 3.12Å; R375-D443 IonicContact NH2-OD2 2.76Å; R375-D443 PolarHBondContact NH2-OD2 3.34Å |
| 376 | E | 85.7 | Confident | 88.2 | Confident | 30 Ų | 30 | 30 Ų | 30 | 14% | 0.14 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62 | -52.5 | 172.8 | -62.7 | -50.3 | 147.2 | 0 | 0 | 110.4 | W9 V372 A378 R379 V380 | W9-E376 HydrophobicContact CE3-CB 4.42Å; W9-E376 WeakPolarHBondContact CH2-O 3.33Å; W9-E376 HydrophobicContact CZ3-CB 4.08Å; W9-E376 WeakPolarHBondContact CZ3-O 3.41Å; V372-E376 WeakPolarHBondContact O-CG 3.07Å; V372-E376 PolarHBondContact O-N 3.32Å; E376-A378 VanDerWaalsContact C-N 3.31Å; E376-A378 PolarHBondContact O-N 2.83Å; E376-R379 WeakPolarHBondContact O-CB 3.47Å; E376-R379 PolarHBondContact O-N 3.05Å; E376-R379 IonicContact OE1-CZ 3.94Å; E376-R379 IonicContact OE1-NH1 2.79Å; E376-R379 PolarHBondContact OE1-NH1 3.25Å; E376-R379 WeakPolarHBondContact OE2-CD 3.29Å; E376-R379 IonicContact OE2-CZ 2.7Å; E376-R379 IonicContact OE2-NE 3.25Å; E376-R379 IonicContact OE2-NH1 3.44Å; E376-R379 PolarHBondContact OE2-NH1 3.39Å; E376-V380 PolarHBondContact O-N 3.13Å |
| 377 | C | 87.6 | Confident | 88.2 | Confident | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.007 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -48.3 | -48.5 | 173.4 | -86.6 | 0 | 0 | 0 | 0 | 114.1 | L13 L276 A373 F374 R379 V380 W381 | L13-C377 WeakPolarHBondContact CD1-SG 3.4Å; L276-C377 HydrophobicContact CD2-CB 4.37Å; A373-C377 VanDerWaalsContact O-CB 3.32Å; A373-C377 WeakPolarHBondContact O-CB 3.09Å; A373-C377 PolarHBondContact O-N 3.15Å; A373-C377 PolarHBondContact O-SG 3.04Å; F374-C377 WeakPolarHBondContact O-CB 3.37Å; F374-C377 PolarHBondContact O-N 3.13Å; C377-R379 VanDerWaalsContact C-N 3.3Å; C377-R379 PolarHBondContact O-N 3Å; C377-V380 WeakPolarHBondContact O-CB 3.16Å; C377-V380 PolarHBondContact O-N 3.06Å; C377-W381 HydrophobicContact CB-CD2 4.13Å; C377-W381 HydrophobicContact CB-CE3 4.08Å; C377-W381 HydrophobicContact CB-CH2 3.39Å; C377-W381 HydrophobicContact CB-CZ2 3.39Å; C377-W381 HydrophobicContact CB-CZ3 3.72Å; C377-W381 VanDerWaalsContact O-CD2 3.28Å; C377-W381 PolarHBondContact O-N 3.41Å; C377-W381 WeakPolarHBondContact SG-CZ2 3.48Å |
| 378 | A | 90.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.9 | -36.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | F374 R375 E376 V380 W381 R382 F387 L441 | F374-A378 VanDerWaalsContact O-CB 3.29Å; F374-A378 WeakPolarHBondContact O-CB 3.5Å; F374-A378 PolarHBondContact O-N 3.24Å; R375-A378 PolarHBondContact O-N 2.87Å; E376-A378 VanDerWaalsContact C-N 3.31Å; E376-A378 PolarHBondContact O-N 2.83Å; A378-V380 VanDerWaalsContact C-N 3.28Å; A378-V380 PolarHBondContact O-N 3.36Å; A378-W381 PolarHBondContact O-N 2.77Å; A378-R382 PolarHBondContact O-N 2.93Å; A378-R382 VanDerWaalsContact O-N 3.12Å; A378-F387 HydrophobicContact CB-CE1 3.67Å; A378-F387 HydrophobicContact CB-CZ 3.5Å; A378-L441 HydrophobicContact CB-CB 4.14Å; A378-L441 HydrophobicContact CB-CD2 4.47Å; A378-L441 WeakPolarHBondContact CB-O 3.34Å |
| 379 | R | 84.4 | Confident | 88.3 | Confident | 60 Ų | 60 | 24 Ų | 24 | 23% | 0.226 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.3 | -27.6 | 173.1 | -72.7 | 171.1 | 176.2 | 164.6 | 5.6 | 113.4 | W9 R375 E376 C377 R382 D443 | W9-R379 HydrophobicContact CH2-CB 3.55Å; W9-R379 HydrophobicContact CZ2-CB 4.29Å; W9-R379 HydrophobicContact CZ3-CB 4.44Å; R375-R379 WeakPolarHBondContact O-CG 3.28Å; R375-R379 PolarHBondContact O-N 3.49Å; E376-R379 WeakPolarHBondContact O-CB 3.47Å; E376-R379 PolarHBondContact O-N 3.05Å; E376-R379 IonicContact OE1-CZ 3.94Å; E376-R379 IonicContact OE1-NH1 2.79Å; E376-R379 PolarHBondContact OE1-NH1 3.25Å; E376-R379 WeakPolarHBondContact OE2-CD 3.29Å; E376-R379 IonicContact OE2-CZ 2.7Å; E376-R379 IonicContact OE2-NE 3.25Å; E376-R379 IonicContact OE2-NH1 3.44Å; E376-R379 PolarHBondContact OE2-NH1 3.39Å; C377-R379 VanDerWaalsContact C-N 3.3Å; C377-R379 PolarHBondContact O-N 3Å; R379-R382 WeakPolarHBondContact O-CD 3.49Å; R379-R382 WeakPolarHBondContact O-CG 3.5Å; R379-R382 PolarHBondContact O-NE 3.42Å; R379-D443 IonicContact CZ-OD2 3.21Å; R379-D443 IonicContact NE-OD2 3.55Å; R379-D443 PolarHBondContact NE-OD2 3.01Å; R379-D443 IonicContact NH2-OD2 2.78Å; R379-D443 PolarHBondContact NH2-OD2 3.45Å |
| 380 | V | 83 | Confident | 88.5 | Confident | 2 Ų | 2 | 18.5 Ų | 18.5 | 1% | 0.012 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -75.6 | -50.9 | 169.5 | -177.8 | 0 | 0 | 0 | 0 | 109.6 | W9 E376 C377 A378 R382 H383 I459 | W9-V380 HydrophobicContact CE3-CG2 4.02Å; W9-V380 HydrophobicContact CH2-CG2 3.38Å; W9-V380 HydrophobicContact CZ2-CG2 4.3Å; W9-V380 HydrophobicContact CZ3-CG2 3.26Å; E376-V380 PolarHBondContact O-N 3.13Å; C377-V380 WeakPolarHBondContact O-CB 3.16Å; C377-V380 PolarHBondContact O-N 3.06Å; A378-V380 VanDerWaalsContact C-N 3.28Å; A378-V380 PolarHBondContact O-N 3.36Å; V380-R382 PolarHBondContact O-N 2.85Å; V380-H383 PolarHBondContact O-CE1 3.36Å; V380-H383 VanDerWaalsContact O-CE1 3.23Å; V380-H383 PolarHBondContact O-ND1 3.31Å; V380-I459 HydrophobicContact CB-CD1 4.47Å; V380-I459 HydrophobicContact CG1-CD1 3.75Å; V380-I459 HydrophobicContact CG2-CD1 3.87Å |
| 381 | W | 88.3 | Confident | 88.7 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -75 | -5.7 | -167.6 | -51.8 | -25.7 | 0 | 0 | 0 | 115.2 | L276 C279 H280 L283 L353 F374 C377 A378 H383 H384 F387 | L276-W381 HydrophobicContact CD2-CH2 3.9Å; L276-W381 HydrophobicContact CD2-CZ3 4.44Å; C279-W381 VanDerWaalsContact C-CZ2 3.46Å; C279-W381 HydrophobicContact CB-CE3 4.37Å; C279-W381 HydrophobicContact CB-CH2 3.27Å; C279-W381 HydrophobicContact CB-CZ2 3.59Å; C279-W381 HydrophobicContact CB-CZ3 3.73Å; H280-W381 HydrophobicContact CB-CZ2 3.85Å; H280-W381 AromaticContact CE1-NE1 3.96Å; H280-W381 AromaticContact CG-NE1 3.9Å; H280-W381 AromaticContact ND1-CE2 3.83Å; H280-W381 AromaticContact ND1-CZ2 3.84Å; H280-W381 AromaticContact ND1-NE1 3.31Å; H280-W381 PolarHBondContact ND1-NE1 3.49Å; L283-W381 HydrophobicContact CB-CB 3.87Å; L283-W381 VanDerWaalsContact CB-CD1 3.48Å; L283-W381 HydrophobicContact CB-CD2 4.14Å; L283-W381 HydrophobicContact CB-CG 3.56Å; L283-W381 HydrophobicContact CD1-CB 4.21Å; L283-W381 HydrophobicContact CD1-CD2 4.01Å; L283-W381 HydrophobicContact CD1-CE3 4.13Å; L283-W381 HydrophobicContact CD1-CG 4.07Å; L283-W381 HydrophobicContact CG-CG 4.48Å; L353-W381 HydrophobicContact CD2-CH2 4.15Å; L353-W381 HydrophobicContact CD2-CZ3 3.57Å; F374-W381 HydrophobicContact CD2-CZ3 4.23Å; F374-W381 HydrophobicContact CE2-CZ3 4.13Å; C377-W381 HydrophobicContact CB-CD2 4.13Å; C377-W381 HydrophobicContact CB-CE3 4.08Å; C377-W381 HydrophobicContact CB-CH2 3.39Å; C377-W381 HydrophobicContact CB-CZ2 3.39Å; C377-W381 HydrophobicContact CB-CZ3 3.72Å; C377-W381 VanDerWaalsContact O-CD2 3.28Å; C377-W381 PolarHBondContact O-N 3.41Å; C377-W381 WeakPolarHBondContact SG-CZ2 3.48Å; A378-W381 PolarHBondContact O-N 2.77Å; W381-H383 PolarHBondContact O-N 3.04Å; W381-H384 PolarHBondContact O-N 2.89Å; W381-F387 HydrophobicContact CB-CB 4.47Å; W381-F387 HydrophobicContact CB-CD1 4.06Å; W381-F387 HydrophobicContact CB-CG 4.07Å; W381-F387 AromaticContact CE3-CD2 3.99Å; W381-F387 HydrophobicContact CE3-CD2 3.99Å; W381-F387 AromaticContact CE3-CE2 3.73Å; W381-F387 HydrophobicContact CE3-CE2 3.73Å; W381-F387 HydrophobicContact CE3-CZ 4.15Å; W381-F387 HydrophobicContact CZ3-CE2 4.24Å |
| 382 | R | 89.4 | Confident | 88.7 | Confident | 14 Ų | 14 | 18.2 Ų | 18.2 | 5% | 0.053 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -13.1 | -175.9 | 66.4 | -172.8 | 169.5 | 174.2 | 5 | 115.4 | A378 R379 V380 H384 I388 D447 L448 L453 V454 | A378-R382 PolarHBondContact O-N 2.93Å; A378-R382 VanDerWaalsContact O-N 3.12Å; R379-R382 WeakPolarHBondContact O-CD 3.49Å; R379-R382 WeakPolarHBondContact O-CG 3.5Å; R379-R382 PolarHBondContact O-NE 3.42Å; V380-R382 PolarHBondContact O-N 2.85Å; R382-H384 VanDerWaalsContact C-N 3.32Å; R382-I388 HydrophobicContact CB-CD1 4.17Å; R382-D447 IonicContact CZ-OD2 2.73Å; R382-D447 IonicContact NH1-OD2 2.71Å; R382-D447 PolarHBondContact NH1-OD2 3.36Å; R382-D447 IonicContact NH2-OD2 3.39Å; R382-L448 HydrophobicContact CB-CD2 3.99Å; R382-L448 HydrophobicContact CG-CD2 4.02Å; R382-L448 VanDerWaalsContact O-CD2 3.3Å; R382-L448 WeakPolarHBondContact O-CD2 3.45Å; R382-L453 PolarHBondContact NH2-O 3.05Å; R382-V454 HydrophobicContact CG-CG1 4.11Å |
| 383 | H | 85.6 | Confident | 88.9 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -10.5 | 169.3 | 62 | -65.5 | 0 | 0 | 0 | 114.4 | L283 P285 L287 V380 W381 V454 F460 T475 F479 L482 | L283-H383 PolarHBondContact O-CE1 2.97Å; P285-H383 PolarHBondContact O-NE2 3.2Å; L287-H383 WeakPolarHBondContact CD1-O 3.49Å; V380-H383 PolarHBondContact O-CE1 3.36Å; V380-H383 VanDerWaalsContact O-CE1 3.23Å; V380-H383 PolarHBondContact O-ND1 3.31Å; W381-H383 PolarHBondContact O-N 3.04Å; H383-V454 HydrophobicContact CB-CG1 4.1Å; H383-F460 AromaticContact CD2-CZ 3.86Å; H383-F460 AromaticContact CE1-CE2 3.86Å; H383-F460 AromaticContact NE2-CE2 3.93Å; H383-F460 AromaticContact NE2-CZ 3.72Å; H383-T475 HydrophobicContact CB-CG2 3.64Å; H383-F479 HydrophobicContact CB-CE1 3.69Å; H383-F479 HydrophobicContact CB-CZ 4.26Å; H383-L482 WeakPolarHBondContact O-CD1 3.45Å |
| 384 | H | 86 | Confident | 89.2 | Confident | 3 Ų | 3 | 18.1 Ų | 18.1 | 1% | 0.014 | 7% | 0.073 | C | C | . | . | trans | -92.7 | 126.7 | 177.6 | -72.7 | -78.2 | 0 | 0 | 0 | 112.3 | L283 P285 F342 W381 R382 A386 F387 I388 | L283-H384 HydrophobicContact CD2-CB 4.12Å; L283-H384 PolarHBondContact O-CD2 3.36Å; L283-H384 PolarHBondContact O-NE2 3.01Å; P285-H384 PolarHBondContact O-NE2 2.81Å; F342-H384 AromaticContact CE1-CE1 3.54Å; F342-H384 AromaticContact CE1-ND1 3.77Å; F342-H384 AromaticContact CZ-CE1 3.88Å; W381-H384 PolarHBondContact O-N 2.89Å; R382-H384 VanDerWaalsContact C-N 3.32Å; H384-A386 PolarHBondContact O-N 3.16Å; H384-F387 HydrophobicContact CB-CB 4.37Å; H384-F387 PolarHBondContact O-N 3.03Å; H384-I388 PolarHBondContact O-N 2.98Å | ||
| 385 | Y | 83.9 | Confident | 89.3 | Confident | 47 Ų | 47 | 18.1 Ų | 18.1 | 18% | 0.184 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -57.9 | -45.8 | 177.4 | 167.3 | -119 | 0 | 0 | 0 | 112.9 | E343 F387 I388 K389 Y481 L482 Q485 | E343-Y385 HydrophobicContact CG-CD1 4.33Å; E343-Y385 WeakPolarHBondContact OE1-CD1 3.48Å; E343-Y385 WeakPolarHBondContact OE1-CE1 3.47Å; Y385-F387 VanDerWaalsContact C-N 3.26Å; Y385-F387 PolarHBondContact O-N 2.91Å; Y385-I388 PolarHBondContact O-N 3.03Å; Y385-K389 HydrophobicContact CD2-CB 4.34Å; Y385-K389 HydrophobicContact CE1-CD 4Å; Y385-K389 HydrophobicContact CE2-CB 4Å; Y385-K389 HydrophobicContact CE2-CD 4.47Å; Y385-K389 HydrophobicContact CE2-CG 4.37Å; Y385-K389 WeakPolarHBondContact O-CB 3.39Å; Y385-K389 PolarHBondContact O-N 2.86Å; Y385-Y481 HydrophobicContact CD2-CD1 4.33Å; Y385-Y481 AromaticContact CD2-CE1 3.48Å; Y385-Y481 HydrophobicContact CD2-CE1 3.48Å; Y385-Y481 VanDerWaalsContact CD2-CE1 3.48Å; Y385-Y481 AromaticContact CE2-CE1 3.65Å; Y385-Y481 HydrophobicContact CE2-CE1 3.65Å; Y385-Y481 AromaticContact CE2-CZ 3.95Å; Y385-Y481 WeakPolarHBondContact CE2-OH 3.1Å; Y385-Y481 HydrophobicContact CG-CE1 4.02Å; Y385-L482 VanDerWaalsContact CA-CD2 3.4Å; Y385-L482 HydrophobicContact CD2-CD2 4.25Å; Y385-L482 HydrophobicContact CG-CD2 4.48Å; Y385-Q485 HydrophobicContact CD2-CG 4.46Å; Y385-Q485 HydrophobicContact CE2-CG 4.2Å |
| 386 | A | 85.9 | Confident | 89.4 | Confident | 3 Ų | 3 | 13.5 Ų | 13.5 | 3% | 0.025 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -53.2 | -42.3 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | S346 D347 H384 Q390 | S346-A386 VanDerWaalsContact C-CB 3.43Å; D347-A386 HydrophobicContact CB-CB 4.08Å; H384-A386 PolarHBondContact O-N 3.16Å; A386-Q390 WeakPolarHBondContact O-CG 3.33Å; A386-Q390 PolarHBondContact O-N 3.03Å |
| 387 | F | 92.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -68.3 | -49.1 | 179.9 | -176.3 | -105 | 0 | 0 | 0 | 111.8 | L283 F354 F374 A378 W381 H384 Y385 K389 Q390 W391 I442 | L283-F387 HydrophobicContact CD1-CB 4.44Å; L283-F387 HydrophobicContact CD1-CD2 4.39Å; F354-F387 HydrophobicContact CE2-CD2 4.18Å; F354-F387 AromaticContact CE2-CE2 3.78Å; F354-F387 HydrophobicContact CE2-CE2 3.78Å; F354-F387 HydrophobicContact CE2-CZ 4.48Å; F354-F387 HydrophobicContact CZ-CE2 4.05Å; F354-F387 HydrophobicContact CZ-CZ 4.33Å; F374-F387 HydrophobicContact CE2-CE2 4.02Å; F374-F387 HydrophobicContact CE2-CZ 4.14Å; A378-F387 HydrophobicContact CB-CE1 3.67Å; A378-F387 HydrophobicContact CB-CZ 3.5Å; W381-F387 HydrophobicContact CB-CB 4.47Å; W381-F387 HydrophobicContact CB-CD1 4.06Å; W381-F387 HydrophobicContact CB-CG 4.07Å; W381-F387 AromaticContact CE3-CD2 3.99Å; W381-F387 HydrophobicContact CE3-CD2 3.99Å; W381-F387 AromaticContact CE3-CE2 3.73Å; W381-F387 HydrophobicContact CE3-CE2 3.73Å; W381-F387 HydrophobicContact CE3-CZ 4.15Å; W381-F387 HydrophobicContact CZ3-CE2 4.24Å; H384-F387 HydrophobicContact CB-CB 4.37Å; H384-F387 PolarHBondContact O-N 3.03Å; Y385-F387 VanDerWaalsContact C-N 3.26Å; Y385-F387 PolarHBondContact O-N 2.91Å; F387-K389 VanDerWaalsContact C-N 3.29Å; F387-K389 PolarHBondContact O-N 3.19Å; F387-Q390 PolarHBondContact O-N 3.35Å; F387-W391 WeakPolarHBondContact O-CB 3.14Å; F387-W391 PolarHBondContact O-N 2.66Å; F387-I442 HydrophobicContact CE1-CG2 3.99Å |
| 388 | I | 92.3 | Very high | 90 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -60.5 | -39.9 | 176.2 | -62.4 | -60.3 | 0 | 0 | 0 | 111.4 | R382 H384 Y385 W391 Y392 I442 L448 Q485 A486 | R382-I388 HydrophobicContact CB-CD1 4.17Å; H384-I388 PolarHBondContact O-N 2.98Å; Y385-I388 PolarHBondContact O-N 3.03Å; I388-W391 PolarHBondContact O-N 3.03Å; I388-Y392 VanDerWaalsContact O-CD1 3.3Å; I388-Y392 WeakPolarHBondContact O-CD1 3.46Å; I388-Y392 PolarHBondContact O-N 3.18Å; I388-I442 HydrophobicContact CD1-CD1 4.36Å; I388-I442 HydrophobicContact CD1-CG2 4.08Å; I388-L448 HydrophobicContact CD1-CD1 4.41Å; I388-Q485 HydrophobicContact CG2-CB 4.21Å; I388-A486 HydrophobicContact CG2-CB 4.21Å |
| 389 | K | 88.9 | Confident | 90.1 | Very high | 44 Ų | 44 | 12.1 Ų | 12.1 | 19% | 0.191 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -59 | -51.6 | 176.7 | -179.1 | -165.6 | 179.2 | -167.8 | 0 | 111.4 | D347 Y385 F387 Y392 R393 | D347-K389 IonicContact OD1-NZ 2.72Å; D347-K389 IonicContact OD2-NZ 3.53Å; D347-K389 PolarHBondContact OD2-NZ 2.71Å; Y385-K389 HydrophobicContact CD2-CB 4.34Å; Y385-K389 HydrophobicContact CE1-CD 4Å; Y385-K389 HydrophobicContact CE2-CB 4Å; Y385-K389 HydrophobicContact CE2-CD 4.47Å; Y385-K389 HydrophobicContact CE2-CG 4.37Å; Y385-K389 WeakPolarHBondContact O-CB 3.39Å; Y385-K389 PolarHBondContact O-N 2.86Å; F387-K389 VanDerWaalsContact C-N 3.29Å; F387-K389 PolarHBondContact O-N 3.19Å; K389-Y392 HydrophobicContact CB-CE1 4.32Å; K389-Y392 HydrophobicContact CG-CE1 4.35Å; K389-Y392 WeakPolarHBondContact O-CD1 3.41Å; K389-R393 WeakPolarHBondContact O-CB 3.28Å; K389-R393 WeakPolarHBondContact O-CG 3.35Å; K389-R393 PolarHBondContact O-N 3.48Å; K389-R393 VanDerWaalsContact O-N 3.12Å |
| 390 | Q | 91.7 | Very high | 90.3 | Very high | 3 Ų | 3 | 9.2 Ų | 9.2 | 1% | 0.014 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -69.9 | -38 | 179.4 | -61.9 | -61.8 | -8.4 | 0 | 0 | 112 | D347 T351 F354 A386 F387 Y392 R393 V394 | D347-Q390 PolarHBondContact OD1-NE2 2.99Å; T351-Q390 PolarHBondContact OG1-NE2 3.47Å; F354-Q390 HydrophobicContact CD2-CB 3.68Å; F354-Q390 HydrophobicContact CE2-CB 3.93Å; A386-Q390 WeakPolarHBondContact O-CG 3.33Å; A386-Q390 PolarHBondContact O-N 3.03Å; F387-Q390 PolarHBondContact O-N 3.35Å; Q390-Y392 PolarHBondContact O-N 3.01Å; Q390-R393 PolarHBondContact O-N 3.27Å; Q390-V394 WeakPolarHBondContact O-CB 3.48Å; Q390-V394 WeakPolarHBondContact O-CG2 3.33Å; Q390-V394 PolarHBondContact O-N 3.4Å |
| 391 | W | 95.1 | Very high | 90.6 | Very high | 2 Ų | 2 | 10.4 Ų | 10.4 | 1% | 0.008 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -54.4 | -51.7 | 174 | 169.3 | 77.6 | 0 | 0 | 0 | 112.4 | F354 F387 I388 S395 I438 L439 I442 A486 L490 | F354-W391 HydrophobicContact CE2-CB 4.46Å; F354-W391 HydrophobicContact CZ-CB 3.97Å; F387-W391 WeakPolarHBondContact O-CB 3.14Å; F387-W391 PolarHBondContact O-N 2.66Å; I388-W391 PolarHBondContact O-N 3.03Å; W391-S395 VanDerWaalsContact O-CB 3.32Å; W391-S395 WeakPolarHBondContact O-CB 3.39Å; W391-S395 PolarHBondContact O-N 2.69Å; W391-S395 PolarHBondContact O-OG 2.98Å; W391-I438 PolarHBondContact NE1-O 3.22Å; W391-L439 HydrophobicContact CZ2-CD1 4.43Å; W391-L439 WeakPolarHBondContact CZ2-O 3.25Å; W391-I442 HydrophobicContact CD2-CD1 3.96Å; W391-I442 HydrophobicContact CD2-CG1 4.26Å; W391-I442 HydrophobicContact CD2-CG2 4.28Å; W391-I442 HydrophobicContact CE3-CD1 3.8Å; W391-I442 HydrophobicContact CG-CG2 4.2Å; W391-I442 HydrophobicContact CH2-CD1 3.57Å; W391-I442 HydrophobicContact CH2-CG1 4.16Å; W391-I442 HydrophobicContact CZ2-CD1 3.71Å; W391-I442 HydrophobicContact CZ2-CG1 3.77Å; W391-I442 HydrophobicContact CZ3-CD1 3.62Å; W391-A486 HydrophobicContact CZ3-CB 4Å; W391-L490 HydrophobicContact CH2-CD2 4.32Å |
| 392 | Y | 92.4 | Very high | 90.7 | Very high | 9 Ų | 9 | 11.2 Ų | 11.2 | 4% | 0.035 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -70.9 | -38.6 | -178.7 | 85.1 | -110.7 | 0 | 0 | 0 | 111.8 | I388 K389 Q390 V394 S395 V396 | I388-Y392 VanDerWaalsContact O-CD1 3.3Å; I388-Y392 WeakPolarHBondContact O-CD1 3.46Å; I388-Y392 PolarHBondContact O-N 3.18Å; K389-Y392 HydrophobicContact CB-CE1 4.32Å; K389-Y392 HydrophobicContact CG-CE1 4.35Å; K389-Y392 WeakPolarHBondContact O-CD1 3.41Å; Q390-Y392 PolarHBondContact O-N 3.01Å; Y392-V394 PolarHBondContact O-N 2.89Å; Y392-S395 PolarHBondContact O-N 2.81Å; Y392-V396 WeakPolarHBondContact O-CB 2.95Å; Y392-V396 VanDerWaalsContact O-CG2 3.25Å; Y392-V396 WeakPolarHBondContact O-CG2 3.31Å; Y392-V396 PolarHBondContact O-N 3.23Å |
| 393 | R | 92.9 | Very high | 90.5 | Very high | 59 Ų | 59 | 10.6 Ų | 10.6 | 22% | 0.223 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -60.2 | -44.6 | 178.7 | -73.7 | 176.9 | 74.2 | -146.8 | 4.9 | 111.7 | K389 Q390 A397 F418 L421 | K389-R393 WeakPolarHBondContact O-CB 3.28Å; K389-R393 WeakPolarHBondContact O-CG 3.35Å; K389-R393 PolarHBondContact O-N 3.48Å; K389-R393 VanDerWaalsContact O-N 3.12Å; Q390-R393 PolarHBondContact O-N 3.27Å; R393-A397 WeakPolarHBondContact O-CB 3.34Å; R393-A397 PolarHBondContact O-N 2.83Å; R393-F418 HydrophobicContact CB-CD1 4.31Å; R393-F418 HydrophobicContact CG-CD1 4.27Å; R393-F418 HydrophobicContact CG-CE1 4.08Å; R393-L421 HydrophobicContact CB-CD1 3.79Å |
| 394 | V | 94.4 | Very high | 90.4 | Very high | 4 Ų | 4 | 12 Ų | 12 | 2% | 0.024 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -69.9 | -41.2 | 176.8 | 173.9 | 0 | 0 | 0 | 0 | 111.2 | F354 L358 Q390 Y392 V396 A397 L398 I438 | F354-V394 HydrophobicContact CB-CG2 4.01Å; F354-V394 HydrophobicContact CD1-CB 4.21Å; F354-V394 HydrophobicContact CD1-CG1 4.16Å; F354-V394 HydrophobicContact CD1-CG2 4.04Å; F354-V394 HydrophobicContact CG-CG2 4.06Å; L358-V394 HydrophobicContact CD1-CG1 3.91Å; Q390-V394 WeakPolarHBondContact O-CB 3.48Å; Q390-V394 WeakPolarHBondContact O-CG2 3.33Å; Q390-V394 PolarHBondContact O-N 3.4Å; Y392-V394 PolarHBondContact O-N 2.89Å; V394-V396 VanDerWaalsContact C-N 3.31Å; V394-V396 PolarHBondContact O-N 3.37Å; V394-A397 PolarHBondContact O-N 3.18Å; V394-L398 HydrophobicContact CG1-CD1 3.84Å; V394-L398 HydrophobicContact CG1-CG 4.26Å; V394-L398 WeakPolarHBondContact O-CB 3.39Å; V394-L398 WeakPolarHBondContact O-CG 3.46Å; V394-L398 PolarHBondContact O-N 2.87Å; V394-I438 HydrophobicContact CG1-CD1 4.08Å; V394-I438 HydrophobicContact CG1-CG2 4.21Å |
| 395 | S | 94.1 | Very high | 90.3 | Very high | 1 Ų | 1 | 13.7 Ų | 13.7 | 1% | 0.007 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -60.1 | -41.1 | 175.5 | -59 | 0 | 0 | 0 | 0 | 111.9 | W391 Y392 S399 | W391-S395 VanDerWaalsContact O-CB 3.32Å; W391-S395 WeakPolarHBondContact O-CB 3.39Å; W391-S395 PolarHBondContact O-N 2.69Å; W391-S395 PolarHBondContact O-OG 2.98Å; Y392-S395 PolarHBondContact O-N 2.81Å; S395-S399 WeakPolarHBondContact O-CB 3.32Å; S395-S399 PolarHBondContact O-N 3.45Å; S395-S399 PolarHBondContact O-OG 3Å |
| 396 | V | 92.7 | Very high | 90.1 | Very high | 1 Ų | 1 | 15.2 Ų | 15.2 | 1% | 0.006 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -66.1 | -44.4 | 173.9 | 168 | 0 | 0 | 0 | 0 | 111.4 | Y392 V394 S399 A400 Y415 F418 M492 I493 | Y392-V396 WeakPolarHBondContact O-CB 2.95Å; Y392-V396 VanDerWaalsContact O-CG2 3.25Å; Y392-V396 WeakPolarHBondContact O-CG2 3.31Å; Y392-V396 PolarHBondContact O-N 3.23Å; V394-V396 VanDerWaalsContact C-N 3.31Å; V394-V396 PolarHBondContact O-N 3.37Å; V396-S399 WeakPolarHBondContact O-CB 3.38Å; V396-S399 PolarHBondContact O-N 3.06Å; V396-A400 PolarHBondContact O-N 3.02Å; V396-Y415 HydrophobicContact CG1-CD1 3.76Å; V396-Y415 HydrophobicContact CG1-CE1 3.75Å; V396-F418 HydrophobicContact CG1-CB 4.43Å; V396-F418 HydrophobicContact CG1-CD1 4.48Å; V396-F418 HydrophobicContact CG1-CD2 3.9Å; V396-F418 HydrophobicContact CG1-CE2 4.25Å; V396-F418 HydrophobicContact CG1-CG 4.03Å; V396-M492 HydrophobicContact CG1-CB 4.47Å; V396-M492 HydrophobicContact CG2-CB 3.79Å; V396-M492 HydrophobicContact CG2-SD 4.13Å; V396-I493 HydrophobicContact CG2-CD1 4.34Å; V396-I493 HydrophobicContact CG2-CG1 3.78Å |
| 397 | A | 92.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.6 | -44.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | R393 V394 S399 A400 T401 F418 L421 I422 | R393-A397 WeakPolarHBondContact O-CB 3.34Å; R393-A397 PolarHBondContact O-N 2.83Å; V394-A397 PolarHBondContact O-N 3.18Å; A397-S399 VanDerWaalsContact C-N 3.34Å; A397-A400 PolarHBondContact O-N 3.14Å; A397-T401 PolarHBondContact O-N 3.43Å; A397-T401 PolarHBondContact O-OG1 3.33Å; A397-F418 HydrophobicContact CB-CB 3.94Å; A397-F418 WeakPolarHBondContact CB-O 3.16Å; A397-L421 HydrophobicContact CB-CB 4.37Å; A397-I422 HydrophobicContact CB-CD1 3.68Å; A397-I422 HydrophobicContact CB-CG1 3.73Å |
| 398 | L | 93.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.4 | -39 | 173 | -72.6 | 170.2 | 0 | 0 | 0 | 111.3 | L358 V394 T401 L402 I422 L426 V431 W435 I438 | L358-L398 HydrophobicContact CD2-CD1 4.28Å; L358-L398 HydrophobicContact CD2-CD2 4.24Å; V394-L398 HydrophobicContact CG1-CD1 3.84Å; V394-L398 HydrophobicContact CG1-CG 4.26Å; V394-L398 WeakPolarHBondContact O-CB 3.39Å; V394-L398 WeakPolarHBondContact O-CG 3.46Å; V394-L398 PolarHBondContact O-N 2.87Å; L398-T401 PolarHBondContact O-N 3.21Å; L398-L402 WeakPolarHBondContact O-CB 3.3Å; L398-L402 PolarHBondContact O-N 3.44Å; L398-I422 HydrophobicContact CD2-CD1 3.68Å; L398-I422 HydrophobicContact CD2-CG1 4.44Å; L398-I422 HydrophobicContact CD2-CG2 4.49Å; L398-I422 HydrophobicContact CG-CD1 3.72Å; L398-L426 HydrophobicContact CD2-CD2 4.36Å; L398-V431 HydrophobicContact CD2-CG1 4.29Å; L398-W435 HydrophobicContact CB-CB 4.09Å; L398-W435 HydrophobicContact CB-CG 4.33Å; L398-W435 HydrophobicContact CD1-CB 4.49Å; L398-I438 HydrophobicContact CD1-CB 4.29Å; L398-I438 HydrophobicContact CD1-CD1 3.61Å; L398-I438 HydrophobicContact CD1-CG2 4.46Å |
| 399 | S | 91.8 | Very high | 86.2 | Confident | 2 Ų | 2 | 27.7 Ų | 27.7 | 1% | 0.014 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.2 | -43.7 | 174.6 | -57.2 | 0 | 0 | 0 | 0 | 111.7 | S395 V396 A397 T401 L402 L403 W435 | S395-S399 WeakPolarHBondContact O-CB 3.32Å; S395-S399 PolarHBondContact O-N 3.45Å; S395-S399 PolarHBondContact O-OG 3Å; V396-S399 WeakPolarHBondContact O-CB 3.38Å; V396-S399 PolarHBondContact O-N 3.06Å; A397-S399 VanDerWaalsContact C-N 3.34Å; S399-T401 VanDerWaalsContact C-N 3.34Å; S399-T401 PolarHBondContact O-N 3.4Å; S399-L402 PolarHBondContact O-N 3.09Å; S399-L403 VanDerWaalsContact O-CG 3.24Å; S399-L403 WeakPolarHBondContact O-CG 3.36Å; S399-L403 PolarHBondContact O-N 3.19Å; S399-W435 PolarHBondContact OG-NE1 3Å |
| 400 | A | 89.3 | Confident | 85 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.6 | -40.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V396 A397 L403 G404 L412 Y415 M419 | V396-A400 PolarHBondContact O-N 3.02Å; A397-A400 PolarHBondContact O-N 3.14Å; A400-L403 PolarHBondContact O-N 2.97Å; A400-G404 PolarHBondContact O-N 3.02Å; A400-L412 HydrophobicContact CB-CD2 4.37Å; A400-L412 WeakPolarHBondContact O-CD2 3.32Å; A400-Y415 HydrophobicContact CB-CD1 3.76Å; A400-Y415 HydrophobicContact CB-CD2 4.08Å; A400-Y415 HydrophobicContact CB-CE1 4.34Å; A400-Y415 HydrophobicContact CB-CG 3.59Å; A400-M419 HydrophobicContact CB-CG 4.29Å |
| 401 | T | 89.9 | Confident | 83.7 | Confident | 27 Ų | 27 | 30 Ų | 30 | 17% | 0.166 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.5 | -44.9 | 176.1 | -50.4 | 0 | 0 | 0 | 0 | 111.1 | A397 L398 S399 L403 G404 I405 V431 | A397-T401 PolarHBondContact O-N 3.43Å; A397-T401 PolarHBondContact O-OG1 3.33Å; L398-T401 PolarHBondContact O-N 3.21Å; S399-T401 VanDerWaalsContact C-N 3.34Å; S399-T401 PolarHBondContact O-N 3.4Å; T401-L403 VanDerWaalsContact C-N 3.32Å; T401-L403 PolarHBondContact O-N 3.24Å; T401-G404 WeakPolarHBondContact O-CA 3.46Å; T401-G404 PolarHBondContact O-N 3.02Å; T401-I405 HydrophobicContact CG2-CD1 4.39Å; T401-I405 WeakPolarHBondContact O-CG1 3.5Å; T401-I405 PolarHBondContact O-N 3.26Å; T401-V431 HydrophobicContact CG2-CG1 3.97Å; T401-V431 HydrophobicContact CG2-CG2 4.17Å |
| 402 | L | 88.9 | Confident | 82.7 | Confident | 16 Ų | 16 | 32.6 Ų | 32.6 | 8% | 0.084 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.9 | -39.1 | 174.7 | -172.1 | 74.1 | 0 | 0 | 0 | 112.3 | L398 S399 G404 I405 L406 K432 W435 F497 | L398-L402 WeakPolarHBondContact O-CB 3.3Å; L398-L402 PolarHBondContact O-N 3.44Å; S399-L402 PolarHBondContact O-N 3.09Å; L402-G404 VanDerWaalsContact C-N 3.32Å; L402-I405 PolarHBondContact O-N 3.39Å; L402-L406 HydrophobicContact CG-CD1 4.23Å; L402-L406 WeakPolarHBondContact O-CB 3.12Å; L402-L406 VanDerWaalsContact O-CG 3.24Å; L402-L406 WeakPolarHBondContact O-CG 3.49Å; L402-L406 PolarHBondContact O-N 3.48Å; L402-K432 HydrophobicContact CD1-CG 3.71Å; L402-W435 HydrophobicContact CD2-CD2 4.06Å; L402-W435 HydrophobicContact CD2-CE3 4.2Å; L402-W435 HydrophobicContact CD2-CG 4.48Å; L402-W435 HydrophobicContact CD2-CZ3 4.49Å; L402-F497 HydrophobicContact CD2-CE1 4.15Å; L402-F497 HydrophobicContact CD2-CZ 3.99Å |
| 403 | L | 85.1 | Confident | 81.8 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.4 | -36.8 | 173.7 | -68.1 | 168.1 | 0 | 0 | 0 | 111.9 | S399 A400 T401 L406 K408 T410 G496 F497 | S399-L403 VanDerWaalsContact O-CG 3.24Å; S399-L403 WeakPolarHBondContact O-CG 3.36Å; S399-L403 PolarHBondContact O-N 3.19Å; A400-L403 PolarHBondContact O-N 2.97Å; T401-L403 VanDerWaalsContact C-N 3.32Å; T401-L403 PolarHBondContact O-N 3.24Å; L403-L406 PolarHBondContact O-N 3.05Å; L403-K408 HydrophobicContact CD2-CD 3.78Å; L403-K408 WeakPolarHBondContact O-CB 3.2Å; L403-K408 PolarHBondContact O-N 2.98Å; L403-T410 HydrophobicContact CD1-CG2 4.4Å; L403-G496 WeakPolarHBondContact CD1-O 3.4Å; L403-F497 HydrophobicContact CD2-CD1 3.77Å; L403-F497 HydrophobicContact CD2-CE1 4.14Å |
| 404 | G | 83.5 | Confident | 80.8 | Confident | 29 Ų | 29 | 37.6 Ų | 37.6 | 30% | 0.299 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.5 | -51 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A400 T401 L402 L406 N407 | A400-G404 PolarHBondContact O-N 3.02Å; T401-G404 WeakPolarHBondContact O-CA 3.46Å; T401-G404 PolarHBondContact O-N 3.02Å; L402-G404 VanDerWaalsContact C-N 3.32Å; G404-L406 PolarHBondContact O-N 3.14Å; G404-N407 PolarHBondContact O-N 2.97Å |
| 405 | I | 84.7 | Confident | 80.2 | Confident | 40 Ų | 40 | 37.5 Ų | 37.5 | 21% | 0.205 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -56.2 | -39 | 177.4 | -65.9 | 165.3 | 0 | 0 | 0 | 111.4 | T401 L402 N407 D428 V431 | T401-I405 HydrophobicContact CG2-CD1 4.39Å; T401-I405 WeakPolarHBondContact O-CG1 3.5Å; T401-I405 PolarHBondContact O-N 3.26Å; L402-I405 PolarHBondContact O-N 3.39Å; I405-N407 PolarHBondContact O-N 3.13Å; I405-N407 VanDerWaalsContact O-N 3.14Å; I405-D428 HydrophobicContact CD1-CB 3.96Å; I405-D428 HydrophobicContact CG1-CB 4.39Å; I405-D428 HydrophobicContact CG2-CB 4.16Å; I405-V431 HydrophobicContact CD1-CB 3.81Å; I405-V431 HydrophobicContact CD1-CG1 3.81Å; I405-V431 HydrophobicContact CD1-CG2 4.02Å |
| 406 | L | 78.8 | Confident | 79.4 | Confident | 79 Ų | 79 | 39.8 Ų | 39.8 | 41% | 0.414 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | 7.8 | 178.6 | -66.9 | 170.4 | 0 | 0 | 0 | 114.2 | L402 L403 G404 K408 | L402-L406 HydrophobicContact CG-CD1 4.23Å; L402-L406 WeakPolarHBondContact O-CB 3.12Å; L402-L406 VanDerWaalsContact O-CG 3.24Å; L402-L406 WeakPolarHBondContact O-CG 3.49Å; L402-L406 PolarHBondContact O-N 3.48Å; L403-L406 PolarHBondContact O-N 3.05Å; G404-L406 PolarHBondContact O-N 3.14Å; L406-K408 HydrophobicContact CB-CD 4.19Å; L406-K408 HydrophobicContact CB-CG 4.04Å; L406-K408 PolarHBondContact O-N 3.41Å; L406-K408 VanDerWaalsContact O-N 3.13Å |
| 407 | N | 65.9 | Low | 78.7 | Confident | 147 Ų | 147 | 42.7 Ų | 42.7 | 79% | 0.786 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 35.5 | -177.5 | -79.6 | -50.5 | 0 | 0 | 0 | 113.6 | G404 I405 | G404-N407 PolarHBondContact O-N 2.97Å; I405-N407 PolarHBondContact O-N 3.13Å; I405-N407 VanDerWaalsContact O-N 3.14Å |
| 408 | K | 64.2 | Low | 78.3 | Confident | 34 Ų | 34 | 43.6 Ų | 43.6 | 15% | 0.148 | 26% | 0.26 | C | S | . | . | trans | -81.8 | 134.9 | -177.4 | -82.3 | -172.9 | -170.7 | -163.1 | 0 | 110.6 | L403 L406 T410 N698 Q700 | L403-K408 HydrophobicContact CD2-CD 3.78Å; L403-K408 WeakPolarHBondContact O-CB 3.2Å; L403-K408 PolarHBondContact O-N 2.98Å; L406-K408 HydrophobicContact CB-CD 4.19Å; L406-K408 HydrophobicContact CB-CG 4.04Å; L406-K408 PolarHBondContact O-N 3.41Å; L406-K408 VanDerWaalsContact O-N 3.13Å; K408-T410 PolarHBondContact O-N 2.96Å; K408-N698 WeakPolarHBondContact CB-ND2 3.19Å; K408-Q700 VanDerWaalsContact CE-O 3.25Å; K408-Q700 WeakPolarHBondContact CE-O 3.46Å; K408-Q700 HydrophobicContact CG-CB 4.31Å; K408-Q700 PolarHBondContact NZ-O 3Å | ||
| 409 | P | 59.7 | Low | 77.8 | Confident | 83 Ų | 83 | 46.7 Ų | 46.7 | 54% | 0.539 | 28% | 0.276 | S | S | . | . | trans | -74.8 | 73.1 | 177.2 | 32.6 | -36.8 | 0 | 0 | 0 | 110.1 | P699 | P409-P699 HydrophobicContact CG-CG 3.99Š| ||
| 410 | T | 62.7 | Low | 77.5 | Confident | 25 Ų | 25 | 54.1 Ų | 54.1 | 15% | 0.153 | 31% | 0.31 | C | S | . | . | trans | -115.3 | 135.1 | 179.2 | -50.5 | 0 | 0 | 0 | 0 | 108.4 | L403 K408 L412 Y415 N698 | L403-T410 HydrophobicContact CD1-CG2 4.4Å; K408-T410 PolarHBondContact O-N 2.96Å; T410-L412 VanDerWaalsContact C-N 3.34Å; T410-L412 PolarHBondContact O-N 3.28Å; T410-Y415 HydrophobicContact CG2-CE2 4.45Å; T410-N698 PolarHBondContact OG1-ND2 3.34Å | ||
| 411 | N | 66.3 | Low | 77.3 | Confident | 71 Ų | 71 | 56.1 Ų | 56.1 | 38% | 0.38 | 32% | 0.32 | S | S | . | . | trans | -72.4 | 85.6 | 179.7 | -173.6 | 0.2 | 0 | 0 | 0 | 111.1 | N413 A414 H501 | N411-N413 PolarHBondContact O-N 3.49Å; N411-N413 VanDerWaalsContact O-N 3.1Å; N411-N413 WeakPolarHBondContact OD1-CB 3.42Å; N411-N413 PolarHBondContact OD1-N 2.7Å; N411-N413 PolarHBondContact OD1-ND2 3.07Å; N411-N413 VanDerWaalsContact OD1-ND2 3.08Å; N411-A414 PolarHBondContact O-N 3.06Å; N411-H501 PolarHBondContact ND2-NE2 3.15Å | ||
| 412 | L | 74.2 | Confident | 77.3 | Confident | 56 Ų | 56 | 55.8 Ų | 55.8 | 29% | 0.293 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -61.7 | -16.5 | -178.2 | -65.7 | 177.2 | 0 | 0 | 0 | 113.7 | A400 T410 A414 Y415 A416 M419 | A400-L412 HydrophobicContact CB-CD2 4.37Å; A400-L412 WeakPolarHBondContact O-CD2 3.32Å; T410-L412 VanDerWaalsContact C-N 3.34Å; T410-L412 PolarHBondContact O-N 3.28Å; L412-A414 PolarHBondContact O-N 3.4Å; L412-Y415 CarbonylContact O-C 3.53Å; L412-Y415 WeakPolarHBondContact O-CA 3.4Å; L412-Y415 WeakPolarHBondContact O-CB 3.35Å; L412-Y415 PolarHBondContact O-N 3.33Å; L412-A416 PolarHBondContact O-N 2.81Å; L412-M419 HydrophobicContact CB-SD 4.23Å |
| 413 | N | 73.1 | Confident | 77.3 | Confident | 133 Ų | 133 | 56.5 Ų | 56.5 | 71% | 0.711 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -60.9 | -31.8 | 175.7 | -59.9 | -47.1 | 0 | 0 | 0 | 112.3 | N411 Y415 A416 | N411-N413 PolarHBondContact O-N 3.49Å; N411-N413 VanDerWaalsContact O-N 3.1Å; N411-N413 WeakPolarHBondContact OD1-CB 3.42Å; N411-N413 PolarHBondContact OD1-N 2.7Å; N411-N413 PolarHBondContact OD1-ND2 3.07Å; N411-N413 VanDerWaalsContact OD1-ND2 3.08Å; N413-Y415 PolarHBondContact O-N 2.87Å; N413-A416 WeakPolarHBondContact O-CB 3.26Å; N413-A416 PolarHBondContact O-N 2.84Å; N413-A416 VanDerWaalsContact O-N 3.14Å |
| 414 | A | 71.4 | Confident | 77.2 | Confident | 41 Ų | 41 | 62 Ų | 62 | 34% | 0.339 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -64.8 | -16.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | N411 L412 I506 | N411-A414 PolarHBondContact O-N 3.06Å; L412-A414 PolarHBondContact O-N 3.4Å; A414-I506 HydrophobicContact CB-CG2 3.71Å |
| 415 | Y | 81.6 | Confident | 77.3 | Confident | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.008 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -105 | 3.2 | 176.8 | -63.8 | -84.3 | 0 | 0 | 0 | 113.9 | V396 A400 T410 L412 N413 S417 F418 M419 M492 G496 I506 | V396-Y415 HydrophobicContact CG1-CD1 3.76Å; V396-Y415 HydrophobicContact CG1-CE1 3.75Å; A400-Y415 HydrophobicContact CB-CD1 3.76Å; A400-Y415 HydrophobicContact CB-CD2 4.08Å; A400-Y415 HydrophobicContact CB-CE1 4.34Å; A400-Y415 HydrophobicContact CB-CG 3.59Å; T410-Y415 HydrophobicContact CG2-CE2 4.45Å; L412-Y415 CarbonylContact O-C 3.53Å; L412-Y415 WeakPolarHBondContact O-CA 3.4Å; L412-Y415 WeakPolarHBondContact O-CB 3.35Å; L412-Y415 PolarHBondContact O-N 3.33Å; N413-Y415 PolarHBondContact O-N 2.87Å; Y415-S417 PolarHBondContact O-N 2.68Å; Y415-S417 VanDerWaalsContact O-N 3.11Å; Y415-F418 HydrophobicContact CD1-CD2 4.2Å; Y415-F418 WeakPolarHBondContact O-CA 3.24Å; Y415-F418 PolarHBondContact O-N 3.18Å; Y415-M419 PolarHBondContact O-N 2.95Å; Y415-M492 PolarHBondContact OH-O 3.1Å; Y415-G496 WeakPolarHBondContact OH-CA 3.07Å; Y415-I506 HydrophobicContact CD1-CG2 3.94Å; Y415-I506 HydrophobicContact CD2-CG2 4.16Å; Y415-I506 HydrophobicContact CE1-CG1 4.24Å; Y415-I506 HydrophobicContact CE1-CG2 3.63Å; Y415-I506 HydrophobicContact CE2-CD1 4.04Å; Y415-I506 HydrophobicContact CE2-CG2 3.88Å; Y415-I506 HydrophobicContact CG-CG2 4.21Å; Y415-I506 WeakPolarHBondContact OH-CD1 3.27Å; Y415-I506 WeakPolarHBondContact OH-CG1 3.49Å |
| 416 | A | 78 | Confident | 77.5 | Confident | 49 Ų | 49 | 64.8 Ų | 64.8 | 41% | 0.405 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -57.1 | -33.2 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114 | L412 N413 F418 | L412-A416 PolarHBondContact O-N 2.81Å; N413-A416 WeakPolarHBondContact O-CB 3.26Å; N413-A416 PolarHBondContact O-N 2.84Å; N413-A416 VanDerWaalsContact O-N 3.14Å; A416-F418 VanDerWaalsContact C-N 3.31Å; A416-F418 PolarHBondContact O-N 2.76Å |
| 417 | S | 78.4 | Confident | 78.1 | Confident | 62 Ų | 62 | 63.9 Ų | 63.9 | 43% | 0.434 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -72.1 | -19.2 | 175.1 | 55.8 | 0 | 0 | 0 | 0 | 114.4 | Y415 | Y415-S417 PolarHBondContact O-N 2.68Å; Y415-S417 VanDerWaalsContact O-N 3.11Å |
| 418 | F | 84.3 | Confident | 79.2 | Confident | 18 Ų | 18 | 61 Ų | 61 | 8% | 0.079 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -96.8 | -37 | 176.4 | -56.7 | -69.2 | 0 | 0 | 0 | 111.8 | R393 V396 A397 Y415 A416 Q420 L421 M492 | R393-F418 HydrophobicContact CB-CD1 4.31Å; R393-F418 HydrophobicContact CG-CD1 4.27Å; R393-F418 HydrophobicContact CG-CE1 4.08Å; V396-F418 HydrophobicContact CG1-CB 4.43Å; V396-F418 HydrophobicContact CG1-CD1 4.48Å; V396-F418 HydrophobicContact CG1-CD2 3.9Å; V396-F418 HydrophobicContact CG1-CE2 4.25Å; V396-F418 HydrophobicContact CG1-CG 4.03Å; A397-F418 HydrophobicContact CB-CB 3.94Å; A397-F418 WeakPolarHBondContact CB-O 3.16Å; Y415-F418 HydrophobicContact CD1-CD2 4.2Å; Y415-F418 WeakPolarHBondContact O-CA 3.24Å; Y415-F418 PolarHBondContact O-N 3.18Å; A416-F418 VanDerWaalsContact C-N 3.31Å; A416-F418 PolarHBondContact O-N 2.76Å; F418-Q420 PolarHBondContact O-N 3.48Å; F418-Q420 VanDerWaalsContact O-N 3.15Å; F418-L421 VanDerWaalsContact O-CB 3.23Å; F418-L421 WeakPolarHBondContact O-CB 3.3Å; F418-L421 VanDerWaalsContact O-CG 3.31Å; F418-L421 WeakPolarHBondContact O-CG 3.3Å; F418-L421 PolarHBondContact O-N 3.29Å; F418-M492 HydrophobicContact CZ-SD 4.36Å |
| 419 | M | 82 | Confident | 80.5 | Confident | 66 Ų | 66 | 65.1 Ų | 65.1 | 33% | 0.325 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61 | -25.5 | -178.7 | -68.4 | -171.1 | 75.7 | 0 | 0 | 113.3 | A400 L412 Y415 L421 I422 | A400-M419 HydrophobicContact CB-CG 4.29Å; L412-M419 HydrophobicContact CB-SD 4.23Å; Y415-M419 PolarHBondContact O-N 2.95Å; M419-L421 PolarHBondContact O-N 3.36Å; M419-L421 VanDerWaalsContact O-N 3.1Å; M419-I422 PolarHBondContact O-N 2.85Å; M419-I422 VanDerWaalsContact O-N 3.13Å |
| 420 | Q | 84.8 | Confident | 82.1 | Confident | 157 Ų | 157 | 63.1 Ų | 63.1 | 73% | 0.734 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -13.6 | 171.5 | -67.2 | 174.3 | 8.4 | 0 | 0 | 114.3 | F418 | F418-Q420 PolarHBondContact O-N 3.48Å; F418-Q420 VanDerWaalsContact O-N 3.15Å |
| 421 | L | 86.7 | Confident | 83.5 | Confident | 42 Ų | 42 | 62 Ų | 62 | 22% | 0.22 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -13.5 | 177.2 | -57.9 | 171.4 | 0 | 0 | 0 | 113.3 | L358 R393 A397 F418 M419 | L358-L421 WeakPolarHBondContact CD1-O 3.38Å; R393-L421 HydrophobicContact CB-CD1 3.79Å; A397-L421 HydrophobicContact CB-CB 4.37Å; F418-L421 VanDerWaalsContact O-CB 3.23Å; F418-L421 WeakPolarHBondContact O-CB 3.3Å; F418-L421 VanDerWaalsContact O-CG 3.31Å; F418-L421 WeakPolarHBondContact O-CG 3.3Å; F418-L421 PolarHBondContact O-N 3.29Å; M419-L421 PolarHBondContact O-N 3.36Å; M419-L421 VanDerWaalsContact O-N 3.1Å |
| 422 | I | 89.8 | Confident | 84.8 | Confident | 20 Ų | 20 | 62.3 Ų | 62.3 | 10% | 0.103 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -100.5 | 130.9 | -177.9 | -50.7 | -51.8 | 0 | 0 | 0 | 109.1 | L358 A397 L398 M419 S424 L426 | L358-I422 HydrophobicContact CD1-CD1 3.8Å; A397-I422 HydrophobicContact CB-CD1 3.68Å; A397-I422 HydrophobicContact CB-CG1 3.73Å; L398-I422 HydrophobicContact CD2-CD1 3.68Å; L398-I422 HydrophobicContact CD2-CG1 4.44Å; L398-I422 HydrophobicContact CD2-CG2 4.49Å; L398-I422 HydrophobicContact CG-CD1 3.72Å; M419-I422 PolarHBondContact O-N 2.85Å; M419-I422 VanDerWaalsContact O-N 3.13Å; I422-S424 PolarHBondContact O-N 2.99Å; I422-L426 HydrophobicContact CG2-CD2 3.92Å |
| 423 | P | 88.7 | Confident | 85.6 | Confident | 32 Ų | 32 | 63.1 Ų | 63.1 | 21% | 0.208 | 35% | 0.351 | C | S | . | . | trans | -58 | 131.7 | 170.8 | -22.1 | 32.8 | 0 | 0 | 0 | 110.8 | L358 K359 D425 L426 | L358-P423 HydrophobicContact CB-CG 3.98Å; K359-P423 HydrophobicContact CG-CG 4.26Å; P423-D425 PolarHBondContact O-N 2.89Å; P423-D425 VanDerWaalsContact O-N 3.09Å; P423-L426 WeakPolarHBondContact O-CB 3.25Å; P423-L426 PolarHBondContact O-N 3.35Å | ||
| 424 | S | 82.9 | Confident | 86.7 | Confident | 115 Ų | 115 | 56.8 Ų | 56.8 | 80% | 0.804 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -23.9 | 179.2 | 46.9 | 0 | 0 | 0 | 0 | 114 | I422 | I422-S424 PolarHBondContact O-N 2.99Š|
| 425 | D | 85.2 | Confident | 87.8 | Confident | 115 Ų | 115 | 56.1 Ų | 56.1 | 62% | 0.615 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | 2.1 | -168 | -47.1 | -12.8 | 0 | 0 | 0 | 112 | T362 P423 P427 | T362-D425 HydrophobicContact CG2-CB 3.95Å; T362-D425 WeakPolarHBondContact CG2-O 3.13Å; P423-D425 PolarHBondContact O-N 2.89Å; P423-D425 VanDerWaalsContact O-N 3.09Å; D425-P427 WeakPolarHBondContact O-CD 3.44Å |
| 426 | L | 89.1 | Confident | 88.3 | Confident | 13 Ų | 13 | 58.6 Ų | 58.6 | 7% | 0.068 | 32% | 0.319 | C | S | . | . | trans | -68.1 | 117.6 | -176.4 | -178.3 | 62.1 | 0 | 0 | 0 | 111 | C361 L398 I422 P423 N430 V431 | C361-L426 VanDerWaalsContact C-CD1 3.46Å; C361-L426 HydrophobicContact CB-CD1 3.83Å; C361-L426 WeakPolarHBondContact O-CD1 3.48Å; L398-L426 HydrophobicContact CD2-CD2 4.36Å; I422-L426 HydrophobicContact CG2-CD2 3.92Å; P423-L426 WeakPolarHBondContact O-CB 3.25Å; P423-L426 PolarHBondContact O-N 3.35Å; L426-N430 HydrophobicContact CD1-CB 3.81Å; L426-V431 HydrophobicContact CB-CG2 4.34Å; L426-V431 HydrophobicContact CD2-CG2 3.79Å; L426-V431 HydrophobicContact CG-CG2 3.74Å | ||
| 427 | P | 91 | Very high | 89.1 | Confident | 60 Ų | 60 | 60 Ų | 60 | 39% | 0.39 | 31% | 0.314 | S | S | . | . | trans | -64.2 | 145.6 | -176.9 | -24 | 34.7 | 0 | 0 | 0 | 113.7 | D425 E429 N430 V431 | D425-P427 WeakPolarHBondContact O-CD 3.44Å; P427-E429 VanDerWaalsContact C-N 3.32Å; P427-E429 PolarHBondContact O-N 2.85Å; P427-N430 HydrophobicContact CB-CB 4.48Å; P427-N430 CarbonylContact O-C 3.02Å; P427-N430 WeakPolarHBondContact O-CA 3.42Å; P427-N430 WeakPolarHBondContact O-CB 3.46Å; P427-N430 PolarHBondContact O-N 3.02Å; P427-V431 PolarHBondContact O-N 3.45Å | ||
| 428 | D | 89.7 | Confident | 89.9 | Confident | 88 Ų | 88 | 57 Ų | 57 | 47% | 0.471 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -52.1 | -41.2 | -175.7 | -70 | 2.6 | 0 | 0 | 0 | 114.7 | I405 N430 V431 K432 | I405-D428 HydrophobicContact CD1-CB 3.96Å; I405-D428 HydrophobicContact CG1-CB 4.39Å; I405-D428 HydrophobicContact CG2-CB 4.16Å; D428-N430 VanDerWaalsContact C-N 3.33Å; D428-V431 WeakPolarHBondContact O-CB 3.48Å; D428-V431 PolarHBondContact O-N 3.24Å; D428-K432 WeakPolarHBondContact O-CG 3.45Å; D428-K432 PolarHBondContact O-N 2.97Å; D428-K432 VanDerWaalsContact O-N 3.15Å |
| 429 | E | 90.4 | Very high | 90.3 | Very high | 120 Ų | 120 | 56.2 Ų | 56.2 | 56% | 0.561 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -65.8 | -37.6 | 175.9 | -60.9 | -49.3 | 139 | 0 | 0 | 112 | P427 K432 E433 | P427-E429 VanDerWaalsContact C-N 3.32Å; P427-E429 PolarHBondContact O-N 2.85Å; E429-K432 PolarHBondContact O-N 2.88Å; E429-K432 IonicContact OE1-NZ 3.53Å; E429-K432 PolarHBondContact OE1-NZ 3.39Å; E429-K432 WeakPolarHBondContact OE2-CD 3.47Å; E429-K432 IonicContact OE2-NZ 3.12Å; E429-K432 PolarHBondContact OE2-NZ 2.64Å; E429-E433 PolarHBondContact O-N 3.47Å |
| 430 | N | 93.8 | Very high | 90.9 | Very high | 40 Ų | 40 | 56.7 Ų | 56.7 | 21% | 0.214 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -72.5 | -31.5 | 177.6 | -60.2 | 9.7 | 0 | 0 | 0 | 110.5 | C361 F365 L426 P427 D428 S434 | C361-N430 PolarHBondContact O-ND2 3.49Å; F365-N430 HydrophobicContact CD2-CB 4.06Å; F365-N430 HydrophobicContact CE2-CB 4.21Å; L426-N430 HydrophobicContact CD1-CB 3.81Å; P427-N430 HydrophobicContact CB-CB 4.48Å; P427-N430 CarbonylContact O-C 3.02Å; P427-N430 WeakPolarHBondContact O-CA 3.42Å; P427-N430 WeakPolarHBondContact O-CB 3.46Å; P427-N430 PolarHBondContact O-N 3.02Å; D428-N430 VanDerWaalsContact C-N 3.33Å; N430-S434 WeakPolarHBondContact O-CB 3.18Å; N430-S434 PolarHBondContact O-N 2.85Å; N430-S434 PolarHBondContact O-OG 2.96Å; N430-S434 VanDerWaalsContact O-OG 3.07Å |
| 431 | V | 93.1 | Very high | 91.2 | Very high | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.012 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.2 | -47.4 | 169.5 | 178.1 | 0 | 0 | 0 | 0 | 110.7 | L398 T401 I405 L426 P427 D428 W435 | L398-V431 HydrophobicContact CD2-CG1 4.29Å; T401-V431 HydrophobicContact CG2-CG1 3.97Å; T401-V431 HydrophobicContact CG2-CG2 4.17Å; I405-V431 HydrophobicContact CD1-CB 3.81Å; I405-V431 HydrophobicContact CD1-CG1 3.81Å; I405-V431 HydrophobicContact CD1-CG2 4.02Å; L426-V431 HydrophobicContact CB-CG2 4.34Å; L426-V431 HydrophobicContact CD2-CG2 3.79Å; L426-V431 HydrophobicContact CG-CG2 3.74Å; P427-V431 PolarHBondContact O-N 3.45Å; D428-V431 WeakPolarHBondContact O-CB 3.48Å; D428-V431 PolarHBondContact O-N 3.24Å; V431-W435 WeakPolarHBondContact O-CB 3.4Å; V431-W435 PolarHBondContact O-N 3.45Å |
| 432 | K | 91.7 | Very high | 91.4 | Very high | 77 Ų | 77 | 47.4 Ų | 47.4 | 34% | 0.335 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.2 | -49.9 | 179.1 | -63.4 | 168.1 | -157.3 | 170.7 | 0 | 111.7 | L402 D428 E429 W435 I436 | L402-K432 HydrophobicContact CD1-CG 3.71Å; D428-K432 WeakPolarHBondContact O-CG 3.45Å; D428-K432 PolarHBondContact O-N 2.97Å; D428-K432 VanDerWaalsContact O-N 3.15Å; E429-K432 PolarHBondContact O-N 2.88Å; E429-K432 IonicContact OE1-NZ 3.53Å; E429-K432 PolarHBondContact OE1-NZ 3.39Å; E429-K432 WeakPolarHBondContact OE2-CD 3.47Å; E429-K432 IonicContact OE2-NZ 3.12Å; E429-K432 PolarHBondContact OE2-NZ 2.64Å; K432-W435 PolarHBondContact O-N 3.21Å; K432-I436 PolarHBondContact O-N 3.03Å; K432-I436 VanDerWaalsContact O-N 3.15Å |
| 433 | E | 92.9 | Very high | 91.2 | Very high | 73 Ų | 73 | 47.6 Ų | 47.6 | 34% | 0.341 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -71.1 | -38 | -175.7 | -171.8 | 64.8 | -173.7 | 0 | 0 | 112.1 | F365 E429 I436 R437 | F365-E433 HydrophobicContact CE1-CG 3.88Å; F365-E433 HydrophobicContact CE2-CB 4.2Å; F365-E433 HydrophobicContact CE2-CG 4.2Å; F365-E433 HydrophobicContact CZ-CB 3.9Å; F365-E433 HydrophobicContact CZ-CG 3.44Å; F365-E433 VanDerWaalsContact CZ-CG 3.44Å; E429-E433 PolarHBondContact O-N 3.47Å; E433-I436 WeakPolarHBondContact O-CG2 3.25Å; E433-R437 WeakPolarHBondContact O-CB 3.4Å; E433-R437 WeakPolarHBondContact O-CD 3.33Å; E433-R437 WeakPolarHBondContact O-CG 3.24Å; E433-R437 PolarHBondContact O-N 3.21Å; E433-R437 IonicContact OE1-CZ 3.82Å; E433-R437 IonicContact OE1-NE 2.67Å; E433-R437 PolarHBondContact OE1-NE 2.94Å; E433-R437 IonicContact OE1-NH2 2.65Å; E433-R437 PolarHBondContact OE1-NH2 3.4Å |
| 434 | S | 94.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.3 | -37.4 | 172.2 | -68.2 | 0 | 0 | 0 | 0 | 112.2 | C361 F365 N430 R437 I438 | C361-S434 WeakPolarHBondContact CB-OG 3.28Å; C361-S434 PolarHBondContact SG-OG 3.29Å; F365-S434 WeakPolarHBondContact CE2-OG 3.35Å; N430-S434 WeakPolarHBondContact O-CB 3.18Å; N430-S434 PolarHBondContact O-N 2.85Å; N430-S434 PolarHBondContact O-OG 2.96Å; N430-S434 VanDerWaalsContact O-OG 3.07Å; S434-R437 PolarHBondContact O-N 2.89Å; S434-I438 VanDerWaalsContact O-CB 3.24Å; S434-I438 WeakPolarHBondContact O-CB 3.23Å; S434-I438 VanDerWaalsContact O-CG1 3.31Å; S434-I438 WeakPolarHBondContact O-CG1 3.12Å; S434-I438 PolarHBondContact O-N 2.91Å |
| 435 | W | 94.7 | Very high | 91.5 | Very high | 28 Ų | 28 | 42 Ų | 42 | 11% | 0.106 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60 | -51.8 | 177.1 | 173.3 | 81 | 0 | 0 | 0 | 111.9 | L398 S399 L402 V431 K432 R437 I438 L439 F497 L710 | L398-W435 HydrophobicContact CB-CB 4.09Å; L398-W435 HydrophobicContact CB-CG 4.33Å; L398-W435 HydrophobicContact CD1-CB 4.49Å; S399-W435 PolarHBondContact OG-NE1 3Å; L402-W435 HydrophobicContact CD2-CD2 4.06Å; L402-W435 HydrophobicContact CD2-CE3 4.2Å; L402-W435 HydrophobicContact CD2-CG 4.48Å; L402-W435 HydrophobicContact CD2-CZ3 4.49Å; V431-W435 WeakPolarHBondContact O-CB 3.4Å; V431-W435 PolarHBondContact O-N 3.45Å; K432-W435 PolarHBondContact O-N 3.21Å; W435-R437 PolarHBondContact O-N 3.33Å; W435-I438 PolarHBondContact O-N 3.46Å; W435-L439 HydrophobicContact CH2-CD2 4.24Å; W435-L439 HydrophobicContact CZ2-CD2 3.99Å; W435-L439 VanDerWaalsContact O-CB 3.28Å; W435-L439 WeakPolarHBondContact O-CB 3.3Å; W435-L439 PolarHBondContact O-N 2.95Å; W435-F497 HydrophobicContact CH2-CE2 4.46Å; W435-F497 HydrophobicContact CH2-CZ 4.13Å; W435-F497 AromaticContact CZ2-CE2 3.76Å; W435-F497 HydrophobicContact CZ2-CE2 3.76Å; W435-F497 AromaticContact CZ2-CZ 3.62Å; W435-F497 HydrophobicContact CZ2-CZ 3.62Å; W435-L710 HydrophobicContact CH2-CD2 3.63Å; W435-L710 HydrophobicContact CZ2-CD2 4.18Å |
| 436 | I | 92.8 | Very high | 91.6 | Very high | 54 Ų | 54 | 36.5 Ų | 36.5 | 28% | 0.277 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -65.3 | -40.8 | -179.2 | -165.9 | 68.5 | 0 | 0 | 0 | 111.2 | K432 E433 Y440 L710 | K432-I436 PolarHBondContact O-N 3.03Å; K432-I436 VanDerWaalsContact O-N 3.15Å; E433-I436 WeakPolarHBondContact O-CG2 3.25Å; I436-Y440 HydrophobicContact CD1-CD2 4.01Å; I436-Y440 HydrophobicContact CD1-CE2 3.69Å; I436-Y440 HydrophobicContact CG1-CD2 4.27Å; I436-Y440 HydrophobicContact CG1-CE2 4.36Å; I436-Y440 WeakPolarHBondContact O-CD2 3.14Å; I436-Y440 PolarHBondContact O-N 2.67Å; I436-L710 HydrophobicContact CD1-CD1 4.07Å |
| 437 | R | 94.5 | Very high | 91.5 | Very high | 78 Ų | 78 | 36.9 Ų | 36.9 | 29% | 0.294 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -66.9 | -41.5 | 178.9 | -70.5 | 174.5 | -179.2 | -90.3 | -9.7 | 112.8 | W371 E433 S434 W435 L441 | W371-R437 HydrophobicContact CD2-CB 4.15Å; W371-R437 HydrophobicContact CD2-CG 4.39Å; W371-R437 VanDerWaalsContact CE2-CD 3.49Å; W371-R437 HydrophobicContact CE3-CB 3.73Å; W371-R437 HydrophobicContact CE3-CG 4.44Å; W371-R437 HydrophobicContact CH2-CB 3.92Å; W371-R437 HydrophobicContact CZ2-CB 4.36Å; W371-R437 HydrophobicContact CZ3-CB 3.61Å; E433-R437 WeakPolarHBondContact O-CB 3.4Å; E433-R437 WeakPolarHBondContact O-CD 3.33Å; E433-R437 WeakPolarHBondContact O-CG 3.24Å; E433-R437 PolarHBondContact O-N 3.21Å; E433-R437 IonicContact OE1-CZ 3.82Å; E433-R437 IonicContact OE1-NE 2.67Å; E433-R437 PolarHBondContact OE1-NE 2.94Å; E433-R437 IonicContact OE1-NH2 2.65Å; E433-R437 PolarHBondContact OE1-NH2 3.4Å; S434-R437 PolarHBondContact O-N 2.89Å; W435-R437 PolarHBondContact O-N 3.33Å; R437-L441 PolarHBondContact O-N 3.18Å |
| 438 | I | 95.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -69.6 | -40.7 | 178.6 | -73.8 | 166.6 | 0 | 0 | 0 | 111.1 | F354 L358 W371 W391 V394 L398 S434 W435 Y440 L441 | F354-I438 HydrophobicContact CE1-CG2 4.14Å; L358-I438 HydrophobicContact CD2-CD1 3.88Å; W371-I438 HydrophobicContact CH2-CD1 4.44Å; W371-I438 HydrophobicContact CH2-CG1 4.18Å; W371-I438 HydrophobicContact CZ3-CG1 3.99Å; W391-I438 PolarHBondContact NE1-O 3.22Å; V394-I438 HydrophobicContact CG1-CD1 4.08Å; V394-I438 HydrophobicContact CG1-CG2 4.21Å; L398-I438 HydrophobicContact CD1-CB 4.29Å; L398-I438 HydrophobicContact CD1-CD1 3.61Å; L398-I438 HydrophobicContact CD1-CG2 4.46Å; S434-I438 VanDerWaalsContact O-CB 3.24Å; S434-I438 WeakPolarHBondContact O-CB 3.23Å; S434-I438 VanDerWaalsContact O-CG1 3.31Å; S434-I438 WeakPolarHBondContact O-CG1 3.12Å; S434-I438 PolarHBondContact O-N 2.91Å; W435-I438 PolarHBondContact O-N 3.46Å; I438-Y440 PolarHBondContact O-N 2.96Å; I438-L441 HydrophobicContact CB-CD1 4.25Å; I438-L441 HydrophobicContact CG1-CD1 4.07Å; I438-L441 HydrophobicContact CG2-CD1 4.23Å; I438-L441 WeakPolarHBondContact O-CB 3.45Å; I438-L441 PolarHBondContact O-N 3.16Å; I438-L441 VanDerWaalsContact O-N 3.13Å |
| 439 | L | 93.3 | Very high | 91 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -57 | -38.7 | 177.3 | -177.1 | 64.9 | 0 | 0 | 0 | 112.2 | W391 W435 L490 I493 L710 F711 W714 | W391-L439 HydrophobicContact CZ2-CD1 4.43Å; W391-L439 WeakPolarHBondContact CZ2-O 3.25Å; W435-L439 HydrophobicContact CH2-CD2 4.24Å; W435-L439 HydrophobicContact CZ2-CD2 3.99Å; W435-L439 VanDerWaalsContact O-CB 3.28Å; W435-L439 WeakPolarHBondContact O-CB 3.3Å; W435-L439 PolarHBondContact O-N 2.95Å; L439-L490 HydrophobicContact CD1-CD2 3.96Å; L439-I493 HydrophobicContact CD1-CD1 4.27Å; L439-L710 HydrophobicContact CD2-CD1 4.14Å; L439-L710 HydrophobicContact CD2-CD2 4.28Å; L439-L710 HydrophobicContact CD2-CG 4.33Å; L439-F711 HydrophobicContact CD1-CE1 4.2Å; L439-F711 HydrophobicContact CD2-CE1 3.92Å; L439-F711 HydrophobicContact CD2-CZ 4.47Å; L439-W714 HydrophobicContact CD1-CZ3 4.39Å; L439-W714 HydrophobicContact CG-CH2 4.23Å; L439-W714 HydrophobicContact CG-CZ3 4.4Å |
| 440 | Y | 93.1 | Very high | 90.7 | Very high | 76 Ų | 76 | 25.5 Ų | 25.5 | 30% | 0.298 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 8.7 | 179.6 | -78.2 | -81.8 | 0 | 0 | 0 | 115.2 | I436 I438 I442 D443 L710 W714 | I436-Y440 HydrophobicContact CD1-CD2 4.01Å; I436-Y440 HydrophobicContact CD1-CE2 3.69Å; I436-Y440 HydrophobicContact CG1-CD2 4.27Å; I436-Y440 HydrophobicContact CG1-CE2 4.36Å; I436-Y440 WeakPolarHBondContact O-CD2 3.14Å; I436-Y440 PolarHBondContact O-N 2.67Å; I438-Y440 PolarHBondContact O-N 2.96Å; Y440-I442 PolarHBondContact O-N 3.49Å; Y440-D443 PolarHBondContact O-N 3.49Å; Y440-L710 HydrophobicContact CE2-CD1 4.04Å; Y440-L710 PolarHBondContact OH-O 2.87Å; Y440-W714 HydrophobicContact CD1-CH2 4.03Å; Y440-W714 AromaticContact CD1-CZ2 3.6Å; Y440-W714 HydrophobicContact CD1-CZ2 3.6Å; Y440-W714 AromaticContact CE1-CH2 3.82Å; Y440-W714 HydrophobicContact CE1-CH2 3.82Å; Y440-W714 AromaticContact CE1-CZ2 3.32Å; Y440-W714 HydrophobicContact CE1-CZ2 3.32Å |
| 441 | L | 93 | Very high | 89.9 | Confident | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -42.1 | -179.6 | -81.9 | 169.8 | 0 | 0 | 0 | 114.1 | F354 F374 R375 A378 R437 I438 D443 | F354-L441 HydrophobicContact CE1-CD1 3.95Å; F354-L441 HydrophobicContact CZ-CD1 4.19Å; F374-L441 HydrophobicContact CB-CD2 4.18Å; F374-L441 HydrophobicContact CD1-CD1 4.06Å; F374-L441 HydrophobicContact CD1-CD2 3.64Å; F374-L441 HydrophobicContact CD2-CD2 4.01Å; F374-L441 HydrophobicContact CE1-CD1 3.5Å; F374-L441 HydrophobicContact CE1-CD2 3.98Å; F374-L441 HydrophobicContact CE1-CG 4.41Å; F374-L441 HydrophobicContact CE2-CD1 4.13Å; F374-L441 HydrophobicContact CE2-CD2 4.27Å; F374-L441 HydrophobicContact CG-CD2 3.66Å; F374-L441 HydrophobicContact CZ-CD1 3.53Å; F374-L441 HydrophobicContact CZ-CD2 4.28Å; R375-L441 HydrophobicContact CB-CD2 4.27Å; A378-L441 HydrophobicContact CB-CB 4.14Å; A378-L441 HydrophobicContact CB-CD2 4.47Å; A378-L441 WeakPolarHBondContact CB-O 3.34Å; R437-L441 PolarHBondContact O-N 3.18Å; I438-L441 HydrophobicContact CB-CD1 4.25Å; I438-L441 HydrophobicContact CG1-CD1 4.07Å; I438-L441 HydrophobicContact CG2-CD1 4.23Å; I438-L441 WeakPolarHBondContact O-CB 3.45Å; I438-L441 PolarHBondContact O-N 3.16Å; I438-L441 VanDerWaalsContact O-N 3.13Å; L441-D443 VanDerWaalsContact C-N 3.29Å |
| 442 | I | 89.4 | Confident | 89.2 | Confident | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.015 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 3.4 | -179.2 | 66.5 | 168.6 | 0 | 0 | 0 | 113.4 | F387 I388 W391 Y440 N444 P445 A486 | F387-I442 HydrophobicContact CE1-CG2 3.99Å; I388-I442 HydrophobicContact CD1-CD1 4.36Å; I388-I442 HydrophobicContact CD1-CG2 4.08Å; W391-I442 HydrophobicContact CD2-CD1 3.96Å; W391-I442 HydrophobicContact CD2-CG1 4.26Å; W391-I442 HydrophobicContact CD2-CG2 4.28Å; W391-I442 HydrophobicContact CE3-CD1 3.8Å; W391-I442 HydrophobicContact CG-CG2 4.2Å; W391-I442 HydrophobicContact CH2-CD1 3.57Å; W391-I442 HydrophobicContact CH2-CG1 4.16Å; W391-I442 HydrophobicContact CZ2-CD1 3.71Å; W391-I442 HydrophobicContact CZ2-CG1 3.77Å; W391-I442 HydrophobicContact CZ3-CD1 3.62Å; Y440-I442 PolarHBondContact O-N 3.49Å; I442-N444 PolarHBondContact O-N 3.12Å; I442-P445 HydrophobicContact CD1-CB 4.27Å; I442-A486 HydrophobicContact CD1-CB 4.36Å |
| 443 | D | 86.4 | Confident | 88.6 | Confident | 24 Ų | 24 | 36.4 Ų | 36.4 | 13% | 0.128 | 16% | 0.16 | C | C | . | . | trans | 51 | -127.3 | -166.2 | -73.1 | -41.2 | 0 | 0 | 0 | 112.9 | R375 R379 Y440 L441 P445 W714 | R375-D443 IonicContact CZ-OD1 2.7Å; R375-D443 IonicContact CZ-OD2 3.33Å; R375-D443 IonicContact NE-OD1 3.58Å; R375-D443 PolarHBondContact NE-OD1 2.95Å; R375-D443 IonicContact NE-OD2 3.4Å; R375-D443 IonicContact NH2-OD1 3.67Å; R375-D443 PolarHBondContact NH2-OD1 3.12Å; R375-D443 IonicContact NH2-OD2 2.76Å; R375-D443 PolarHBondContact NH2-OD2 3.34Å; R379-D443 IonicContact CZ-OD2 3.21Å; R379-D443 IonicContact NE-OD2 3.55Å; R379-D443 PolarHBondContact NE-OD2 3.01Å; R379-D443 IonicContact NH2-OD2 2.78Å; R379-D443 PolarHBondContact NH2-OD2 3.45Å; Y440-D443 PolarHBondContact O-N 3.49Å; L441-D443 VanDerWaalsContact C-N 3.29Å; D443-P445 WeakPolarHBondContact O-CD 3.32Å; D443-W714 WeakPolarHBondContact O-CZ2 3.19Å | ||
| 444 | N | 87.9 | Confident | 87.9 | Confident | 28 Ų | 28 | 33 Ų | 33 | 15% | 0.15 | 15% | 0.145 | C | C | . | . | trans | -81.1 | 117.1 | -177.5 | -175.2 | -7.6 | 0 | 0 | 0 | 109.4 | I442 V446 D447 W714 E717 | I442-N444 PolarHBondContact O-N 3.12Å; N444-V446 PolarHBondContact O-N 3.39Å; N444-V446 WeakPolarHBondContact OD1-CB 3.34Å; N444-V446 VanDerWaalsContact OD1-CG2 3.32Å; N444-V446 WeakPolarHBondContact OD1-CG2 3.21Å; N444-V446 PolarHBondContact OD1-N 2.71Å; N444-D447 WeakPolarHBondContact O-CB 3.36Å; N444-D447 PolarHBondContact O-N 2.9Å; N444-W714 VanDerWaalsContact CG-CD1 3.46Å; N444-W714 VanDerWaalsContact OD1-CD1 3.31Å; N444-E717 PolarHBondContact ND2-OE2 3.44Å | ||
| 445 | P | 90.1 | Very high | 87.2 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -60.7 | -19.3 | 178.8 | 25.8 | -35.2 | 0 | 0 | 0 | 113 | I442 D443 D447 L448 A486 L487 L490 W714 | I442-P445 HydrophobicContact CD1-CB 4.27Å; D443-P445 WeakPolarHBondContact O-CD 3.32Å; P445-D447 PolarHBondContact O-N 3.34Å; P445-L448 WeakPolarHBondContact O-CB 3.44Å; P445-L448 PolarHBondContact O-N 3.03Å; P445-A486 HydrophobicContact CB-CB 4.05Å; P445-L487 HydrophobicContact CG-CD2 4.33Å; P445-L490 HydrophobicContact CG-CD1 4.12Å; P445-W714 HydrophobicContact CG-CB 4.1Å; P445-W714 HydrophobicContact CG-CD2 4.37Å; P445-W714 HydrophobicContact CG-CE3 4.45Å; P445-W714 HydrophobicContact CG-CG 4.26Å |
| 446 | V | 87.2 | Confident | 86.3 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -70.3 | -17 | 175.4 | -168 | 0 | 0 | 0 | 0 | 112.7 | N444 L448 S449 H450 Y483 W714 E717 A718 I739 | N444-V446 PolarHBondContact O-N 3.39Å; N444-V446 WeakPolarHBondContact OD1-CB 3.34Å; N444-V446 VanDerWaalsContact OD1-CG2 3.32Å; N444-V446 WeakPolarHBondContact OD1-CG2 3.21Å; N444-V446 PolarHBondContact OD1-N 2.71Å; V446-L448 PolarHBondContact O-N 3.01Å; V446-S449 WeakPolarHBondContact CG1-OG 3.29Å; V446-S449 PolarHBondContact O-N 3.1Å; V446-S449 PolarHBondContact O-OG 3.35Å; V446-H450 PolarHBondContact O-ND1 3.05Å; V446-Y483 HydrophobicContact CB-CE2 4.45Å; V446-Y483 HydrophobicContact CG1-CE2 4.48Å; V446-Y483 HydrophobicContact CG2-CE2 4.23Å; V446-W714 WeakPolarHBondContact CG2-O 3.25Å; V446-E717 HydrophobicContact CB-CG 4.46Å; V446-E717 HydrophobicContact CG1-CG 3.98Å; V446-E717 HydrophobicContact CG2-CB 4.26Å; V446-A718 HydrophobicContact CG2-CB 3.72Å; V446-I739 HydrophobicContact CG1-CD1 4.23Å |
| 447 | D | 86.3 | Confident | 85.5 | Confident | 21 Ų | 21 | 33.3 Ų | 33.3 | 11% | 0.112 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -58.6 | -29 | 169.7 | -79.1 | 4.8 | 0 | 0 | 0 | 111.9 | R382 N444 P445 S449 H450 L453 R735 | R382-D447 IonicContact CZ-OD2 2.73Å; R382-D447 IonicContact NH1-OD2 2.71Å; R382-D447 PolarHBondContact NH1-OD2 3.36Å; R382-D447 IonicContact NH2-OD2 3.39Å; N444-D447 WeakPolarHBondContact O-CB 3.36Å; N444-D447 PolarHBondContact O-N 2.9Å; P445-D447 PolarHBondContact O-N 3.34Å; D447-S449 PolarHBondContact O-N 2.89Å; D447-H450 PolarHBondContact O-N 2.86Å; D447-L453 HydrophobicContact CB-CD1 4.42Å; D447-R735 IonicContact OD1-NH1 2.67Å |
| 448 | L | 87.4 | Confident | 84.4 | Confident | 3 Ų | 3 | 31.5 Ų | 31.5 | 2% | 0.016 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -61.4 | -28.6 | 175.6 | -68.4 | 169.8 | 0 | 0 | 0 | 112.8 | R382 I388 P445 V446 H450 F479 L482 Y483 A486 | R382-L448 HydrophobicContact CB-CD2 3.99Å; R382-L448 HydrophobicContact CG-CD2 4.02Å; R382-L448 VanDerWaalsContact O-CD2 3.3Å; R382-L448 WeakPolarHBondContact O-CD2 3.45Å; I388-L448 HydrophobicContact CD1-CD1 4.41Å; P445-L448 WeakPolarHBondContact O-CB 3.44Å; P445-L448 PolarHBondContact O-N 3.03Å; V446-L448 PolarHBondContact O-N 3.01Å; L448-H450 VanDerWaalsContact C-N 3.28Å; L448-H450 PolarHBondContact O-N 3.34Å; L448-F479 WeakPolarHBondContact O-CB 3.4Å; L448-F479 WeakPolarHBondContact O-CD2 3.4Å; L448-L482 HydrophobicContact CD1-CB 4.33Å; L448-Y483 HydrophobicContact CB-CD2 4.44Å; L448-A486 HydrophobicContact CD1-CB 4.18Å |
| 449 | S | 83.2 | Confident | 83.3 | Confident | 6 Ų | 6 | 32 Ų | 32 | 4% | 0.042 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -78.8 | -9.8 | 175.5 | 63.6 | 0 | 0 | 0 | 0 | 114.6 | V446 D447 I739 | V446-S449 WeakPolarHBondContact CG1-OG 3.29Å; V446-S449 PolarHBondContact O-N 3.1Å; V446-S449 PolarHBondContact O-OG 3.35Å; D447-S449 PolarHBondContact O-N 2.89Å; S449-I739 WeakPolarHBondContact OG-CD1 3.1Å |
| 450 | H | 83.1 | Confident | 82.4 | Confident | 20 Ų | 20 | 32 Ų | 32 | 9% | 0.093 | 15% | 0.15 | C | C | . | . | trans | -103.3 | 89.3 | -179.5 | -64.7 | 96.7 | 0 | 0 | 0 | 110.2 | V446 D447 L448 R452 L453 R735 | V446-H450 PolarHBondContact O-ND1 3.05Å; D447-H450 PolarHBondContact O-N 2.86Å; L448-H450 VanDerWaalsContact C-N 3.28Å; L448-H450 PolarHBondContact O-N 3.34Å; H450-R452 PolarHBondContact O-N 2.87Å; H450-L453 HydrophobicContact CB-CB 4.07Å; H450-L453 HydrophobicContact CB-CD1 3.72Å; H450-L453 HydrophobicContact CB-CG 3.8Å; H450-L453 PolarHBondContact O-N 3.12Å; H450-R735 VanDerWaalsContact NE2-C 3.31Å; H450-R735 WeakPolarHBondContact NE2-CB 3.41Å; H450-R735 PolarHBondContact NE2-O 2.8Å | ||
| 451 | E | 78.7 | Confident | 81.6 | Confident | 78 Ų | 78 | 32 Ų | 32 | 36% | 0.364 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -49 | -40.1 | -176.4 | -174.3 | -178.9 | 174.7 | 0 | 0 | 113.1 | L453 V454 C455 S476 F479 | E451-L453 VanDerWaalsContact C-N 3.33Å; E451-L453 PolarHBondContact O-N 2.87Å; E451-V454 PolarHBondContact O-N 3.23Å; E451-C455 HydrophobicContact CG-CB 4.3Å; E451-C455 VanDerWaalsContact O-CB 3.24Å; E451-C455 WeakPolarHBondContact O-CB 3.36Å; E451-C455 PolarHBondContact O-N 2.93Å; E451-S476 VanDerWaalsContact OE1-CB 3.26Å; E451-S476 WeakPolarHBondContact OE1-CB 3.38Å; E451-F479 HydrophobicContact CB-CE2 4.4Å; E451-F479 HydrophobicContact CG-CE2 4.22Å |
| 452 | R | 77.2 | Confident | 80.5 | Confident | 204 Ų | 204 | 32.6 Ų | 32.6 | 77% | 0.77 | 16% | 0.156 | S | C | * | . | H | α-helix | trans | -64.3 | -28.3 | 177.8 | -62.9 | -178.3 | -177 | 175.9 | 0.9 | 114.5 | H450 N456 | H450-R452 PolarHBondContact O-N 2.87Å; R452-N456 WeakPolarHBondContact O-CB 3.41Å; R452-N456 PolarHBondContact O-N 3.27Å |
| 453 | L | 78.9 | Confident | 79.5 | Confident | 65 Ų | 65 | 33.7 Ų | 33.7 | 34% | 0.34 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -79.5 | -20.6 | 178.6 | -65.2 | -177.7 | 0 | 0 | 0 | 112.8 | R382 D447 H450 E451 | R382-L453 PolarHBondContact NH2-O 3.05Å; D447-L453 HydrophobicContact CB-CD1 4.42Å; H450-L453 HydrophobicContact CB-CB 4.07Å; H450-L453 HydrophobicContact CB-CD1 3.72Å; H450-L453 HydrophobicContact CB-CG 3.8Å; H450-L453 PolarHBondContact O-N 3.12Å; E451-L453 VanDerWaalsContact C-N 3.33Å; E451-L453 PolarHBondContact O-N 2.87Å |
| 454 | V | 79.7 | Confident | 78.7 | Confident | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.012 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -99.3 | -46.6 | 178 | -168.4 | 0 | 0 | 0 | 0 | 110.5 | R382 H383 E451 F479 | R382-V454 HydrophobicContact CG-CG1 4.11Å; H383-V454 HydrophobicContact CB-CG1 4.1Å; E451-V454 PolarHBondContact O-N 3.23Å; V454-F479 HydrophobicContact CB-CE2 3.93Å; V454-F479 HydrophobicContact CB-CZ 3.77Å; V454-F479 HydrophobicContact CG1-CE1 4.23Å; V454-F479 HydrophobicContact CG1-CE2 4.31Å; V454-F479 HydrophobicContact CG1-CZ 3.65Å; V454-F479 HydrophobicContact CG2-CE2 4.22Å; V454-F479 HydrophobicContact CG2-CZ 4.32Å |
| 455 | C | 79 | Confident | 77.8 | Confident | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.02 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -89.1 | 2.6 | -173 | -62.3 | 0 | 0 | 0 | 0 | 115.5 | E451 F460 K464 I472 | E451-C455 HydrophobicContact CG-CB 4.3Å; E451-C455 VanDerWaalsContact O-CB 3.24Å; E451-C455 WeakPolarHBondContact O-CB 3.36Å; E451-C455 PolarHBondContact O-N 2.93Å; C455-F460 HydrophobicContact CB-CD1 4.02Å; C455-F460 HydrophobicContact CB-CE1 4.37Å; C455-F460 VanDerWaalsContact O-CB 3.25Å; C455-F460 WeakPolarHBondContact O-CB 3.4Å; C455-K464 WeakPolarHBondContact O-CE 3.4Å; C455-K464 PolarHBondContact O-NZ 3.49Å; C455-K464 VanDerWaalsContact O-NZ 3.14Å; C455-I472 HydrophobicContact CB-CG2 3.73Å |
| 456 | N | 75.4 | Confident | 76.6 | Confident | 80 Ų | 80 | 45.9 Ų | 45.9 | 43% | 0.428 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118 | 33.8 | 172.3 | -55.7 | -3.3 | 0 | 0 | 0 | 111.9 | R452 E461 K464 | R452-N456 WeakPolarHBondContact O-CB 3.41Å; R452-N456 PolarHBondContact O-N 3.27Å; N456-E461 WeakPolarHBondContact CB-OE1 3.3Å; N456-K464 PolarHBondContact OD1-NZ 3.36Å |
| 457 | T | 75.7 | Confident | 75.5 | Confident | 6 Ų | 6 | 52.6 Ų | 52.6 | 4% | 0.037 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -69.8 | 156.2 | 164.1 | 53.9 | 0 | 0 | 0 | 0 | 110 | W9 I459 F460 E461 | W9-T457 HydrophobicContact CZ2-CG2 3.96Å; T457-I459 PolarHBondContact O-N 3.26Å; T457-I459 VanDerWaalsContact O-N 3.11Å; T457-F460 PolarHBondContact O-N 3.14Å; T457-F460 VanDerWaalsContact OG1-CD2 3.31Å; T457-F460 WeakPolarHBondContact OG1-CD2 3.43Å; T457-F460 PolarHBondContact OG1-N 2.81Å; T457-E461 PolarHBondContact O-N 3.28Å |
| 458 | P | 71.6 | Confident | 74.5 | Confident | 40 Ų | 40 | 53.1 Ų | 53.1 | 26% | 0.26 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -54.8 | -32.8 | 178.8 | -28 | 36.5 | 0 | 0 | 0 | 113.6 | A5 W9 E461 E462 | A5-P458 HydrophobicContact CB-CB 4.36Å; A5-P458 WeakPolarHBondContact O-CB 2.91Å; W9-P458 HydrophobicContact CB-CG 4.2Å; W9-P458 VanDerWaalsContact CD1-CG 3.45Å; W9-P458 HydrophobicContact CG-CG 3.95Å; P458-E461 PolarHBondContact O-N 3.26Å; P458-E462 WeakPolarHBondContact O-CB 3.22Å; P458-E462 PolarHBondContact O-N 3.27Å |
| 459 | I | 72.9 | Confident | 73.5 | Confident | 10 Ų | 10 | 56.8 Ų | 56.8 | 5% | 0.051 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.9 | -49.3 | 174.4 | -65.4 | 161.9 | 0 | 0 | 0 | 110.7 | H280 V380 T457 E462 Y463 | H280-I459 WeakPolarHBondContact NE2-CD1 3.35Å; V380-I459 HydrophobicContact CB-CD1 4.47Å; V380-I459 HydrophobicContact CG1-CD1 3.75Å; V380-I459 HydrophobicContact CG2-CD1 3.87Å; T457-I459 PolarHBondContact O-N 3.26Å; T457-I459 VanDerWaalsContact O-N 3.11Å; I459-E462 WeakPolarHBondContact O-CB 3.31Å; I459-E462 PolarHBondContact O-N 3.26Å; I459-Y463 HydrophobicContact CG2-CD2 3.97Å; I459-Y463 HydrophobicContact CG2-CE2 3.8Å; I459-Y463 WeakPolarHBondContact O-CD2 3.47Å; I459-Y463 PolarHBondContact O-N 3.24Å |
| 460 | F | 75.3 | Confident | 72.5 | Confident | 1 Ų | 1 | 61.3 Ų | 61.3 | 0% | 0.004 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.5 | -37.6 | 177.1 | -86.3 | -118.5 | 0 | 0 | 0 | 111.8 | P286 H383 C455 T457 E462 Y463 K464 I472 T475 | P286-F460 HydrophobicContact CB-CE1 3.92Å; P286-F460 HydrophobicContact CB-CZ 4.01Å; H383-F460 AromaticContact CD2-CZ 3.86Å; H383-F460 AromaticContact CE1-CE2 3.86Å; H383-F460 AromaticContact NE2-CE2 3.93Å; H383-F460 AromaticContact NE2-CZ 3.72Å; C455-F460 HydrophobicContact CB-CD1 4.02Å; C455-F460 HydrophobicContact CB-CE1 4.37Å; C455-F460 VanDerWaalsContact O-CB 3.25Å; C455-F460 WeakPolarHBondContact O-CB 3.4Å; T457-F460 PolarHBondContact O-N 3.14Å; T457-F460 VanDerWaalsContact OG1-CD2 3.31Å; T457-F460 WeakPolarHBondContact OG1-CD2 3.43Å; T457-F460 PolarHBondContact OG1-N 2.81Å; F460-E462 VanDerWaalsContact C-N 3.31Å; F460-E462 PolarHBondContact O-N 3.29Å; F460-Y463 CarbonylContact O-C 3.31Å; F460-Y463 PolarHBondContact O-N 3.42Å; F460-K464 WeakPolarHBondContact O-CG 3.24Å; F460-K464 PolarHBondContact O-N 3.08Å; F460-I472 HydrophobicContact CB-CD1 4.37Å; F460-I472 HydrophobicContact CD1-CB 4.22Å; F460-I472 HydrophobicContact CD1-CD1 3.96Å; F460-I472 HydrophobicContact CD1-CG1 3.66Å; F460-I472 HydrophobicContact CD1-CG2 3.74Å; F460-I472 HydrophobicContact CE1-CB 4.46Å; F460-I472 HydrophobicContact CE1-CG1 4.05Å; F460-I472 HydrophobicContact CE1-CG2 4.15Å; F460-I472 WeakPolarHBondContact O-CD1 3.19Å; F460-T475 HydrophobicContact CE1-CG2 4.4Å; F460-T475 HydrophobicContact CZ-CG2 4.39Å |
| 461 | E | 75.2 | Confident | 71.6 | Confident | 75 Ų | 75 | 61.9 Ų | 61.9 | 35% | 0.35 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.8 | -36.8 | 171.9 | -65.9 | -59 | 146.4 | 0 | 0 | 112.2 | N456 T457 P458 K464 K465 | N456-E461 WeakPolarHBondContact CB-OE1 3.3Å; T457-E461 PolarHBondContact O-N 3.28Å; P458-E461 PolarHBondContact O-N 3.26Å; E461-K464 PolarHBondContact O-N 3.42Å; E461-K464 IonicContact OE1-NZ 2.89Å; E461-K464 PolarHBondContact OE1-NZ 2.93Å; E461-K464 IonicContact OE2-NZ 2.73Å; E461-K465 WeakPolarHBondContact O-CG 3.3Å; E461-K465 PolarHBondContact O-N 2.8Å |
| 462 | E | 69.1 | Low | 71.2 | Confident | 15 Ų | 15 | 58.5 Ų | 58.5 | 7% | 0.07 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.2 | -48.4 | 170.6 | -166 | -172.2 | 153.4 | 0 | 0 | 110.8 | M1 D2 P458 I459 F460 K464 K465 Y466 | M1-E462 WeakPolarHBondContact CA-OE1 3.36Å; D2-E462 PolarHBondContact N-OE1 2.94Å; P458-E462 WeakPolarHBondContact O-CB 3.22Å; P458-E462 PolarHBondContact O-N 3.27Å; I459-E462 WeakPolarHBondContact O-CB 3.31Å; I459-E462 PolarHBondContact O-N 3.26Å; F460-E462 VanDerWaalsContact C-N 3.31Å; F460-E462 PolarHBondContact O-N 3.29Å; E462-K464 VanDerWaalsContact C-N 3.31Å; E462-K464 PolarHBondContact O-N 3.39Å; E462-K465 WeakPolarHBondContact O-CB 3.37Å; E462-K465 PolarHBondContact O-N 3.26Å; E462-Y466 HydrophobicContact CG-CE2 3.96Å; E462-Y466 WeakPolarHBondContact O-CD2 3.46Å |
| 463 | Y | 68.9 | Low | 70.8 | Confident | 26 Ų | 26 | 57 Ų | 57 | 10% | 0.102 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.1 | -32 | 175.1 | -78.4 | -70.6 | 0 | 0 | 0 | 113.7 | P285 I459 F460 Y466 Y468 | P285-Y463 HydrophobicContact CB-CE2 4.47Å; I459-Y463 HydrophobicContact CG2-CD2 3.97Å; I459-Y463 HydrophobicContact CG2-CE2 3.8Å; I459-Y463 WeakPolarHBondContact O-CD2 3.47Å; I459-Y463 PolarHBondContact O-N 3.24Å; F460-Y463 CarbonylContact O-C 3.31Å; F460-Y463 PolarHBondContact O-N 3.42Å; Y463-Y466 PolarHBondContact O-N 3.13Å; Y463-Y468 AromaticContact CD1-CD2 3.79Å; Y463-Y468 HydrophobicContact CD1-CD2 3.79Å; Y463-Y468 HydrophobicContact CD1-CE2 4.25Å; Y463-Y468 HydrophobicContact CD1-CG 4.45Å; Y463-Y468 WeakPolarHBondContact O-CB 3.46Å; Y463-Y468 PolarHBondContact O-N 3.01Å |
| 464 | K | 70.1 | Confident | 70.3 | Confident | 44 Ų | 44 | 58 Ų | 58 | 19% | 0.191 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.9 | -39.1 | 173.9 | -70.4 | 175.9 | -164.4 | 170.5 | 0 | 112.3 | C455 N456 F460 E461 E462 Y466 N467 N469 I472 | C455-K464 WeakPolarHBondContact O-CE 3.4Å; C455-K464 PolarHBondContact O-NZ 3.49Å; C455-K464 VanDerWaalsContact O-NZ 3.14Å; N456-K464 PolarHBondContact OD1-NZ 3.36Å; F460-K464 WeakPolarHBondContact O-CG 3.24Å; F460-K464 PolarHBondContact O-N 3.08Å; E461-K464 PolarHBondContact O-N 3.42Å; E461-K464 IonicContact OE1-NZ 2.89Å; E461-K464 PolarHBondContact OE1-NZ 2.93Å; E461-K464 IonicContact OE2-NZ 2.73Å; E462-K464 VanDerWaalsContact C-N 3.31Å; E462-K464 PolarHBondContact O-N 3.39Å; K464-Y466 PolarHBondContact O-N 2.96Å; K464-N467 PolarHBondContact O-N 3.5Å; K464-N467 VanDerWaalsContact O-N 3.14Å; K464-N469 WeakPolarHBondContact CG-OD1 3.42Å; K464-I472 HydrophobicContact CD-CD1 4.42Å; K464-I472 HydrophobicContact CG-CD1 3.45Å; K464-I472 VanDerWaalsContact CG-CD1 3.45Å |
| 465 | K | 68.1 | Low | 70.1 | Confident | 149 Ų | 149 | 58 Ų | 58 | 65% | 0.648 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -59.2 | -29.6 | 175.6 | -65.2 | 171.8 | -175.5 | 176.9 | 0 | 112.3 | E461 E462 | E461-K465 WeakPolarHBondContact O-CG 3.3Å; E461-K465 PolarHBondContact O-N 2.8Å; E462-K465 WeakPolarHBondContact O-CB 3.37Å; E462-K465 PolarHBondContact O-N 3.26Å |
| 466 | Y | 65.1 | Low | 70.1 | Confident | 116 Ų | 116 | 58 Ų | 58 | 46% | 0.455 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 27.5 | 178.1 | -60.7 | -67.1 | 0 | 0 | 0 | 113.7 | E462 Y463 K464 Y468 | E462-Y466 HydrophobicContact CG-CE2 3.96Å; E462-Y466 WeakPolarHBondContact O-CD2 3.46Å; Y463-Y466 PolarHBondContact O-N 3.13Å; K464-Y466 PolarHBondContact O-N 2.96Å; Y466-Y468 VanDerWaalsContact C-N 3.26Å; Y466-Y468 WeakPolarHBondContact O-CD2 3.42Å; Y466-Y468 PolarHBondContact O-N 3.33Å; Y466-Y468 VanDerWaalsContact O-N 3.17Å |
| 467 | N | 64.1 | Low | 70.2 | Confident | 140 Ų | 140 | 55.2 Ų | 55.2 | 75% | 0.749 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.3 | 15.6 | 177.3 | -76.2 | -27.8 | 0 | 0 | 0 | 116.8 | K464 N469 | K464-N467 PolarHBondContact O-N 3.5Å; K464-N467 VanDerWaalsContact O-N 3.14Å; N467-N469 PolarHBondContact O-N 3.37Å |
| 468 | Y | 65.3 | Low | 70.4 | Confident | 32 Ų | 32 | 56.6 Ų | 56.6 | 13% | 0.125 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | 24.8 | 177.5 | -65.2 | -70.1 | 0 | 0 | 0 | 115 | P198 Y463 Y466 D470 R471 I472 | P198-Y468 PolarHBondContact O-OH 2.77Å; Y463-Y468 AromaticContact CD1-CD2 3.79Å; Y463-Y468 HydrophobicContact CD1-CD2 3.79Å; Y463-Y468 HydrophobicContact CD1-CE2 4.25Å; Y463-Y468 HydrophobicContact CD1-CG 4.45Å; Y463-Y468 WeakPolarHBondContact O-CB 3.46Å; Y463-Y468 PolarHBondContact O-N 3.01Å; Y466-Y468 VanDerWaalsContact C-N 3.26Å; Y466-Y468 WeakPolarHBondContact O-CD2 3.42Å; Y466-Y468 PolarHBondContact O-N 3.33Å; Y466-Y468 VanDerWaalsContact O-N 3.17Å; Y468-D470 VanDerWaalsContact C-N 3.26Å; Y468-D470 PolarHBondContact O-N 2.68Å; Y468-R471 HydrophobicContact CD1-CG 4.37Å; Y468-R471 PolarHBondContact O-N 3.09Å; Y468-R471 VanDerWaalsContact O-N 3.09Å; Y468-I472 PolarHBondContact O-N 3.02Å |
| 469 | N | 68 | Low | 71.2 | Confident | 81 Ų | 81 | 54.7 Ų | 54.7 | 43% | 0.433 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -54.3 | -38.4 | -177.1 | -74.1 | -49.9 | 0 | 0 | 0 | 113.1 | K464 N467 I472 R473 | K464-N469 WeakPolarHBondContact CG-OD1 3.42Å; N467-N469 PolarHBondContact O-N 3.37Å; N469-I472 PolarHBondContact O-N 3.28Å; N469-R473 WeakPolarHBondContact O-CB 3.28Å; N469-R473 PolarHBondContact O-N 2.95Å |
| 470 | D | 61.7 | Low | 71.9 | Confident | 101 Ų | 101 | 54.5 Ų | 54.5 | 54% | 0.54 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.7 | -44 | 177.6 | -71.5 | -45 | 0 | 0 | 0 | 112.5 | Y468 I472 R473 W474 | Y468-D470 VanDerWaalsContact C-N 3.26Å; Y468-D470 PolarHBondContact O-N 2.68Å; D470-I472 VanDerWaalsContact C-N 3.26Å; D470-I472 PolarHBondContact O-N 2.93Å; D470-R473 WeakPolarHBondContact O-CB 3.29Å; D470-R473 PolarHBondContact O-N 3.23Å; D470-R473 VanDerWaalsContact O-N 3.14Å; D470-W474 PolarHBondContact O-N 2.82Å |
| 471 | R | 63.2 | Low | 72.4 | Confident | 31 Ų | 31 | 55.1 Ų | 55.1 | 12% | 0.117 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.7 | -38.9 | 178.2 | -62.5 | -172.4 | -174.2 | 173.3 | 0.3 | 111.5 | F202 G206 P286 H288 Y468 W474 T475 | F202-R471 PolarHBondContact O-NH1 2.85Å; F202-R471 PolarHBondContact O-NH2 3.1Å; G206-R471 VanDerWaalsContact CA-NH2 3.3Å; G206-R471 PolarHBondContact O-NH2 3.13Å; P286-R471 HydrophobicContact CB-CB 4.28Å; P286-R471 HydrophobicContact CG-CB 4.11Å; H288-R471 PolarHBondContact CE1-NH1 3.29Å; Y468-R471 HydrophobicContact CD1-CG 4.37Å; Y468-R471 PolarHBondContact O-N 3.09Å; Y468-R471 VanDerWaalsContact O-N 3.09Å; R471-W474 PolarHBondContact O-N 3.47Å; R471-T475 PolarHBondContact O-N 3.22Å; R471-T475 PolarHBondContact O-OG1 3.42Å |
| 472 | I | 70.9 | Confident | 73.1 | Confident | 8 Ų | 8 | 51.6 Ų | 51.6 | 4% | 0.041 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.1 | -46.1 | 175.6 | -65.1 | 173.8 | 0 | 0 | 0 | 110.5 | P286 C455 F460 K464 Y468 N469 D470 W474 T475 S476 | P286-I472 HydrophobicContact CB-CG1 4.19Å; P286-I472 HydrophobicContact CG-CG1 4.35Å; C455-I472 HydrophobicContact CB-CG2 3.73Å; F460-I472 HydrophobicContact CB-CD1 4.37Å; F460-I472 HydrophobicContact CD1-CB 4.22Å; F460-I472 HydrophobicContact CD1-CD1 3.96Å; F460-I472 HydrophobicContact CD1-CG1 3.66Å; F460-I472 HydrophobicContact CD1-CG2 3.74Å; F460-I472 HydrophobicContact CE1-CB 4.46Å; F460-I472 HydrophobicContact CE1-CG1 4.05Å; F460-I472 HydrophobicContact CE1-CG2 4.15Å; F460-I472 WeakPolarHBondContact O-CD1 3.19Å; K464-I472 HydrophobicContact CD-CD1 4.42Å; K464-I472 HydrophobicContact CG-CD1 3.45Å; K464-I472 VanDerWaalsContact CG-CD1 3.45Å; Y468-I472 PolarHBondContact O-N 3.02Å; N469-I472 PolarHBondContact O-N 3.28Å; D470-I472 VanDerWaalsContact C-N 3.26Å; D470-I472 PolarHBondContact O-N 2.93Å; I472-W474 VanDerWaalsContact C-N 3.32Å; I472-W474 PolarHBondContact O-N 3.28Å; I472-T475 WeakPolarHBondContact O-CB 3.39Å; I472-T475 PolarHBondContact O-N 2.87Å; I472-S476 PolarHBondContact O-N 3.46Å |
| 473 | R | 69.4 | Low | 74.1 | Confident | 172 Ų | 172 | 50.9 Ų | 50.9 | 65% | 0.649 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -61.3 | -37.6 | 175.8 | -168.6 | -178.5 | -177.3 | -160.5 | 1.5 | 112.5 | N469 D470 S476 | N469-R473 WeakPolarHBondContact O-CB 3.28Å; N469-R473 PolarHBondContact O-N 2.95Å; D470-R473 WeakPolarHBondContact O-CB 3.29Å; D470-R473 PolarHBondContact O-N 3.23Å; D470-R473 VanDerWaalsContact O-N 3.14Å; R473-S476 WeakPolarHBondContact O-CB 3.2Å; R473-S476 PolarHBondContact O-N 3.26Å; R473-S476 PolarHBondContact O-OG 3.28Å |
| 474 | W | 67.3 | Low | 75.2 | Confident | 87 Ų | 87 | 49.8 Ų | 49.8 | 33% | 0.33 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -72.2 | -31.9 | 176 | -70.3 | 118.4 | 0 | 0 | 0 | 113.3 | L289 D470 R471 I472 S476 V477 | L289-W474 HydrophobicContact CD1-CD2 3.8Å; L289-W474 HydrophobicContact CD1-CE3 3.71Å; L289-W474 HydrophobicContact CD1-CG 4.18Å; L289-W474 HydrophobicContact CD1-CZ3 4.17Å; L289-W474 HydrophobicContact CD2-CZ2 4.49Å; D470-W474 PolarHBondContact O-N 2.82Å; R471-W474 PolarHBondContact O-N 3.47Å; I472-W474 VanDerWaalsContact C-N 3.32Å; I472-W474 PolarHBondContact O-N 3.28Å; W474-S476 PolarHBondContact O-N 3.16Å; W474-V477 HydrophobicContact CE3-CG2 3.83Å; W474-V477 HydrophobicContact CZ3-CG2 4.31Å; W474-V477 WeakPolarHBondContact O-CB 3.29Å; W474-V477 WeakPolarHBondContact O-CG2 3.2Å; W474-V477 PolarHBondContact O-N 3.26Å |
| 475 | T | 76.2 | Confident | 76.2 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56 | -39.6 | 172.9 | -59.3 | 0 | 0 | 0 | 0 | 111.1 | P286 L287 H383 F460 R471 I472 V477 Y478 F479 | P286-T475 WeakPolarHBondContact CB-OG1 3.32Å; L287-T475 HydrophobicContact CB-CG2 4.35Å; L287-T475 HydrophobicContact CD1-CG2 4.44Å; L287-T475 PolarHBondContact N-OG1 2.9Å; H383-T475 HydrophobicContact CB-CG2 3.64Å; F460-T475 HydrophobicContact CE1-CG2 4.4Å; F460-T475 HydrophobicContact CZ-CG2 4.39Å; R471-T475 PolarHBondContact O-N 3.22Å; R471-T475 PolarHBondContact O-OG1 3.42Å; I472-T475 WeakPolarHBondContact O-CB 3.39Å; I472-T475 PolarHBondContact O-N 2.87Å; T475-V477 PolarHBondContact O-N 3.49Å; T475-V477 VanDerWaalsContact O-N 3.12Å; T475-Y478 PolarHBondContact O-N 3.34Å; T475-F479 HydrophobicContact CG2-CE1 3.82Å; T475-F479 HydrophobicContact CG2-CZ 4.01Å; T475-F479 WeakPolarHBondContact O-CD1 3.32Å; T475-F479 WeakPolarHBondContact O-CE1 3.27Å |
| 476 | S | 78.1 | Confident | 77.4 | Confident | 4 Ų | 4 | 40.7 Ų | 40.7 | 3% | 0.028 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -59.2 | -23.2 | 177 | 82.5 | 0 | 0 | 0 | 0 | 114.9 | E451 I472 R473 W474 Y478 F479 | E451-S476 VanDerWaalsContact OE1-CB 3.26Å; E451-S476 WeakPolarHBondContact OE1-CB 3.38Å; I472-S476 PolarHBondContact O-N 3.46Å; R473-S476 WeakPolarHBondContact O-CB 3.2Å; R473-S476 PolarHBondContact O-N 3.26Å; R473-S476 PolarHBondContact O-OG 3.28Å; W474-S476 PolarHBondContact O-N 3.16Å; S476-Y478 VanDerWaalsContact C-N 3.29Å; S476-Y478 PolarHBondContact O-N 3.3Å; S476-F479 WeakPolarHBondContact O-CB 3.21Å; S476-F479 PolarHBondContact O-N 2.82Å |
| 477 | V | 78.2 | Confident | 78.8 | Confident | 21 Ų | 21 | 35.2 Ų | 35.2 | 13% | 0.127 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -70.7 | -29.6 | -176.7 | -172 | 0 | 0 | 0 | 0 | 110.7 | W474 T475 F479 P480 P521 I522 | W474-V477 HydrophobicContact CE3-CG2 3.83Å; W474-V477 HydrophobicContact CZ3-CG2 4.31Å; W474-V477 WeakPolarHBondContact O-CB 3.29Å; W474-V477 WeakPolarHBondContact O-CG2 3.2Å; W474-V477 PolarHBondContact O-N 3.26Å; T475-V477 PolarHBondContact O-N 3.49Å; T475-V477 VanDerWaalsContact O-N 3.12Å; V477-F479 VanDerWaalsContact C-N 3.33Å; V477-P480 WeakPolarHBondContact O-CD 3.25Å; V477-P521 HydrophobicContact CG1-CB 4.02Å; V477-P521 HydrophobicContact CG1-CG 4.03Å; V477-I522 VanDerWaalsContact C-CD1 3.44Å; V477-I522 HydrophobicContact CB-CD1 4.07Å; V477-I522 HydrophobicContact CG1-CD1 3.74Å; V477-I522 HydrophobicContact CG1-CG1 3.83Å; V477-I522 WeakPolarHBondContact O-CD1 3.48Å |
| 478 | Y | 80.1 | Confident | 80.2 | Confident | 35 Ų | 35 | 29.2 Ų | 29.2 | 14% | 0.137 | 13% | 0.129 | C | C | . | . | G | 310 helix | trans | -74.4 | -20.3 | 177.2 | -68.6 | -91.7 | 0 | 0 | 0 | 113.2 | L287 T475 S476 Y481 L482 I522 | L287-Y478 HydrophobicContact CB-CD2 4.49Å; L287-Y478 HydrophobicContact CB-CE2 4.41Å; L287-Y478 HydrophobicContact CD1-CD1 4.48Å; L287-Y478 HydrophobicContact CD1-CD2 3.71Å; L287-Y478 HydrophobicContact CD1-CE2 4.17Å; L287-Y478 HydrophobicContact CD1-CG 3.89Å; T475-Y478 PolarHBondContact O-N 3.34Å; S476-Y478 VanDerWaalsContact C-N 3.29Å; S476-Y478 PolarHBondContact O-N 3.3Å; Y478-Y481 WeakPolarHBondContact O-CB 3.46Å; Y478-Y481 PolarHBondContact O-N 3.12Å; Y478-L482 WeakPolarHBondContact O-CG 3.11Å; Y478-L482 PolarHBondContact O-N 3.23Å; Y478-L482 VanDerWaalsContact O-N 3.07Å; Y478-I522 VanDerWaalsContact CA-CD1 3.46Å; Y478-I522 HydrophobicContact CD1-CD1 3.34Å; Y478-I522 HydrophobicContact CD1-CG1 4.49Å; Y478-I522 HydrophobicContact CD2-CD1 3.71Å; Y478-I522 HydrophobicContact CE1-CD1 3.58Å; Y478-I522 HydrophobicContact CE1-CG1 4.34Å; Y478-I522 HydrophobicContact CE2-CD1 3.95Å; Y478-I522 HydrophobicContact CG-CD1 3.39Å |
| 479 | F | 87.5 | Confident | 81.5 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.2 | -41.2 | -171.2 | -67.2 | -4.3 | 0 | 0 | 0 | 114.8 | H383 L448 E451 V454 T475 S476 V477 Y481 L482 Y483 Y744 | H383-F479 HydrophobicContact CB-CE1 3.69Å; H383-F479 HydrophobicContact CB-CZ 4.26Å; L448-F479 WeakPolarHBondContact O-CB 3.4Å; L448-F479 WeakPolarHBondContact O-CD2 3.4Å; E451-F479 HydrophobicContact CB-CE2 4.4Å; E451-F479 HydrophobicContact CG-CE2 4.22Å; V454-F479 HydrophobicContact CB-CE2 3.93Å; V454-F479 HydrophobicContact CB-CZ 3.77Å; V454-F479 HydrophobicContact CG1-CE1 4.23Å; V454-F479 HydrophobicContact CG1-CE2 4.31Å; V454-F479 HydrophobicContact CG1-CZ 3.65Å; V454-F479 HydrophobicContact CG2-CE2 4.22Å; V454-F479 HydrophobicContact CG2-CZ 4.32Å; T475-F479 HydrophobicContact CG2-CE1 3.82Å; T475-F479 HydrophobicContact CG2-CZ 4.01Å; T475-F479 WeakPolarHBondContact O-CD1 3.32Å; T475-F479 WeakPolarHBondContact O-CE1 3.27Å; S476-F479 WeakPolarHBondContact O-CB 3.21Å; S476-F479 PolarHBondContact O-N 2.82Å; V477-F479 VanDerWaalsContact C-N 3.33Å; F479-Y481 VanDerWaalsContact C-N 3.25Å; F479-Y481 PolarHBondContact O-N 2.94Å; F479-L482 HydrophobicContact CD1-CD1 4.04Å; F479-L482 PolarHBondContact O-N 3.21Å; F479-Y483 WeakPolarHBondContact O-CB 3.15Å; F479-Y483 PolarHBondContact O-N 3.4Å; F479-Y744 HydrophobicContact CB-CE1 4.03Å; F479-Y744 WeakPolarHBondContact CB-OH 3.24Å |
| 480 | P | 87.5 | Confident | 82.8 | Confident | 6 Ų | 6 | 23.9 Ų | 23.9 | 4% | 0.039 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -50.4 | -41.3 | 170.3 | -35.9 | 41.9 | 0 | 0 | 0 | 115.2 | V477 H484 Y519 R743 Y744 | V477-P480 WeakPolarHBondContact O-CD 3.25Å; P480-H484 PolarHBondContact O-N 3.25Å; P480-Y519 HydrophobicContact CB-CD1 4.27Å; P480-R743 WeakPolarHBondContact CB-O 3.46Å; P480-R743 HydrophobicContact CG-CB 3.93Å; P480-Y744 HydrophobicContact CB-CD1 4.4Å; P480-Y744 HydrophobicContact CB-CE1 4.4Å; P480-Y744 HydrophobicContact CG-CD1 4.24Å; P480-Y744 HydrophobicContact CG-CE1 3.9Å |
| 481 | Y | 86.4 | Confident | 84.4 | Confident | 15 Ų | 15 | 19.1 Ų | 19.1 | 6% | 0.059 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -73.9 | -48.7 | 179.5 | 174.7 | -105.5 | 0 | 0 | 0 | 110.7 | Y385 Y478 F479 Y483 H484 Q485 F511 Y519 F526 | Y385-Y481 HydrophobicContact CD2-CD1 4.33Å; Y385-Y481 AromaticContact CD2-CE1 3.48Å; Y385-Y481 HydrophobicContact CD2-CE1 3.48Å; Y385-Y481 VanDerWaalsContact CD2-CE1 3.48Å; Y385-Y481 AromaticContact CE2-CE1 3.65Å; Y385-Y481 HydrophobicContact CE2-CE1 3.65Å; Y385-Y481 AromaticContact CE2-CZ 3.95Å; Y385-Y481 WeakPolarHBondContact CE2-OH 3.1Å; Y385-Y481 HydrophobicContact CG-CE1 4.02Å; Y478-Y481 WeakPolarHBondContact O-CB 3.46Å; Y478-Y481 PolarHBondContact O-N 3.12Å; F479-Y481 VanDerWaalsContact C-N 3.25Å; F479-Y481 PolarHBondContact O-N 2.94Å; Y481-Y483 VanDerWaalsContact C-N 3.32Å; Y481-Y483 PolarHBondContact O-N 2.87Å; Y481-H484 PolarHBondContact O-N 3.31Å; Y481-Q485 HydrophobicContact CD1-CG 4.25Å; Y481-Q485 HydrophobicContact CD2-CG 4.45Å; Y481-Q485 HydrophobicContact CE1-CG 4.01Å; Y481-Q485 HydrophobicContact CE2-CG 4.22Å; Y481-Q485 HydrophobicContact CG-CG 4.47Å; Y481-Q485 VanDerWaalsContact O-CG 3.25Å; Y481-Q485 WeakPolarHBondContact O-CG 3.43Å; Y481-Q485 PolarHBondContact O-N 3.09Å; Y481-Q485 PolarHBondContact OH-NE2 3.21Å; Y481-Q485 VanDerWaalsContact OH-NE2 3.08Å; Y481-F511 HydrophobicContact CE2-CD2 4.31Å; Y481-Y519 HydrophobicContact CD2-CD1 4.48Å; Y481-Y519 HydrophobicContact CD2-CE1 4.14Å; Y481-Y519 HydrophobicContact CD2-CE2 4.37Å; Y481-F526 HydrophobicContact CD1-CE2 4.38Å; Y481-F526 AromaticContact CD1-CZ 3.81Å; Y481-F526 HydrophobicContact CD1-CZ 3.81Å; Y481-F526 AromaticContact CD2-CE2 3.59Å; Y481-F526 HydrophobicContact CD2-CE2 3.59Å; Y481-F526 AromaticContact CD2-CZ 3.7Å; Y481-F526 HydrophobicContact CD2-CZ 3.7Å; Y481-F526 HydrophobicContact CE1-CE1 4.35Å; Y481-F526 AromaticContact CE1-CZ 3.66Å; Y481-F526 HydrophobicContact CE1-CZ 3.66Å; Y481-F526 HydrophobicContact CE2-CE1 4.3Å; Y481-F526 AromaticContact CE2-CE2 3.75Å; Y481-F526 HydrophobicContact CE2-CE2 3.75Å; Y481-F526 AromaticContact CE2-CZ 3.54Å; Y481-F526 HydrophobicContact CE2-CZ 3.54Å; Y481-F526 AromaticContact CG-CE2 3.91Å; Y481-F526 HydrophobicContact CG-CE2 3.91Å; Y481-F526 AromaticContact CG-CZ 3.81Å; Y481-F526 HydrophobicContact CG-CZ 3.81Å; Y481-F526 AromaticContact CZ-CZ 3.52Å |
| 482 | L | 89.4 | Confident | 85.8 | Confident | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -58.7 | -42.7 | 177.8 | -59.1 | 178.8 | 0 | 0 | 0 | 112.6 | H383 Y385 L448 Y478 F479 Q485 A486 | H383-L482 WeakPolarHBondContact O-CD1 3.45Å; Y385-L482 VanDerWaalsContact CA-CD2 3.4Å; Y385-L482 HydrophobicContact CD2-CD2 4.25Å; Y385-L482 HydrophobicContact CG-CD2 4.48Å; L448-L482 HydrophobicContact CD1-CB 4.33Å; Y478-L482 WeakPolarHBondContact O-CG 3.11Å; Y478-L482 PolarHBondContact O-N 3.23Å; Y478-L482 VanDerWaalsContact O-N 3.07Å; F479-L482 HydrophobicContact CD1-CD1 4.04Å; F479-L482 PolarHBondContact O-N 3.21Å; L482-Q485 PolarHBondContact O-N 2.69Å; L482-A486 PolarHBondContact O-N 3.14Å |
| 483 | Y | 91.2 | Very high | 86.9 | Confident | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -59.7 | -45.6 | 176.1 | 174.8 | -114 | 0 | 0 | 0 | 111.8 | V446 L448 F479 Y481 L487 A718 Y744 | V446-Y483 HydrophobicContact CB-CE2 4.45Å; V446-Y483 HydrophobicContact CG1-CE2 4.48Å; V446-Y483 HydrophobicContact CG2-CE2 4.23Å; L448-Y483 HydrophobicContact CB-CD2 4.44Å; F479-Y483 WeakPolarHBondContact O-CB 3.15Å; F479-Y483 PolarHBondContact O-N 3.4Å; Y481-Y483 VanDerWaalsContact C-N 3.32Å; Y481-Y483 PolarHBondContact O-N 2.87Å; Y483-L487 HydrophobicContact CD1-CD1 4.21Å; Y483-L487 HydrophobicContact CD2-CD1 4.15Å; Y483-L487 HydrophobicContact CE1-CD1 3.76Å; Y483-L487 HydrophobicContact CE2-CD1 3.66Å; Y483-L487 HydrophobicContact CE2-CG 4.36Å; Y483-L487 HydrophobicContact CG-CD1 4.41Å; Y483-L487 VanDerWaalsContact CZ-CD1 3.47Å; Y483-L487 WeakPolarHBondContact O-CG 3.4Å; Y483-L487 PolarHBondContact O-N 3.3Å; Y483-L487 VanDerWaalsContact O-N 3.14Å; Y483-A718 WeakPolarHBondContact OH-CA 3.42Å; Y483-A718 WeakPolarHBondContact OH-CB 3.47Å; Y483-A718 PolarHBondContact OH-O 2.96Å; Y483-Y744 AromaticContact CD1-CD1 3.64Å; Y483-Y744 HydrophobicContact CD1-CD1 3.64Å; Y483-Y744 HydrophobicContact CD1-CG 4.29Å; Y483-Y744 HydrophobicContact CE1-CD1 4.28Å; Y483-Y744 AromaticContact CG-CD1 3.97Å; Y483-Y744 HydrophobicContact CG-CD1 3.97Å |
| 484 | H | 91.6 | Very high | 88 | Confident | 4 Ų | 4 | 9.2 Ų | 9.2 | 2% | 0.019 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -65.4 | -43 | 174.4 | 178.1 | -131.8 | 0 | 0 | 0 | 112.4 | P480 Y481 A486 L487 R488 P510 Y519 V746 | P480-H484 PolarHBondContact O-N 3.25Å; Y481-H484 PolarHBondContact O-N 3.31Å; H484-A486 VanDerWaalsContact C-N 3.33Å; H484-A486 PolarHBondContact O-N 2.65Å; H484-L487 PolarHBondContact O-N 3.46Å; H484-R488 WeakPolarHBondContact O-CB 3.48Å; H484-R488 PolarHBondContact O-N 2.96Å; H484-P510 PolarHBondContact CE1-O 3.16Å; H484-Y519 HydrophobicContact CB-CE1 4.11Å; H484-Y519 AromaticContact ND1-CZ 3.92Å; H484-Y519 PolarHBondContact ND1-OH 3.5Å; H484-V746 HydrophobicContact CB-CG1 4.34Å |
| 485 | Q | 91 | Very high | 89.2 | Confident | 2 Ų | 2 | 5.1 Ų | 5.1 | 1% | 0.009 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -56.7 | -45.9 | 176.8 | -67.9 | -72.8 | -24.1 | 0 | 0 | 111.7 | Y385 I388 Y481 L482 R488 G489 P510 | Y385-Q485 HydrophobicContact CD2-CG 4.46Å; Y385-Q485 HydrophobicContact CE2-CG 4.2Å; I388-Q485 HydrophobicContact CG2-CB 4.21Å; Y481-Q485 HydrophobicContact CD1-CG 4.25Å; Y481-Q485 HydrophobicContact CD2-CG 4.45Å; Y481-Q485 HydrophobicContact CE1-CG 4.01Å; Y481-Q485 HydrophobicContact CE2-CG 4.22Å; Y481-Q485 HydrophobicContact CG-CG 4.47Å; Y481-Q485 VanDerWaalsContact O-CG 3.25Å; Y481-Q485 WeakPolarHBondContact O-CG 3.43Å; Y481-Q485 PolarHBondContact O-N 3.09Å; Y481-Q485 PolarHBondContact OH-NE2 3.21Å; Y481-Q485 VanDerWaalsContact OH-NE2 3.08Å; L482-Q485 PolarHBondContact O-N 2.69Å; Q485-R488 PolarHBondContact O-N 3.4Å; Q485-G489 PolarHBondContact O-N 2.85Å; Q485-P510 VanDerWaalsContact OE1-CB 3.31Å; Q485-P510 VanDerWaalsContact OE1-CG 3.26Å |
| 486 | A | 93.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -62.5 | -45.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I388 W391 I442 P445 L448 L482 H484 G489 L490 | I388-A486 HydrophobicContact CG2-CB 4.21Å; W391-A486 HydrophobicContact CZ3-CB 4Å; I442-A486 HydrophobicContact CD1-CB 4.36Å; P445-A486 HydrophobicContact CB-CB 4.05Å; L448-A486 HydrophobicContact CD1-CB 4.18Å; L482-A486 PolarHBondContact O-N 3.14Å; H484-A486 VanDerWaalsContact C-N 3.33Å; H484-A486 PolarHBondContact O-N 2.65Å; A486-G489 PolarHBondContact O-N 3.05Å; A486-L490 PolarHBondContact O-N 3.14Å; A486-L490 VanDerWaalsContact O-N 3.16Å |
| 487 | L | 95.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -67.8 | -36.6 | 177.5 | -69.2 | 174.1 | 0 | 0 | 0 | 112.6 | P445 Y483 H484 G489 L490 S491 L715 A718 G747 A751 I754 | P445-L487 HydrophobicContact CG-CD2 4.33Å; Y483-L487 HydrophobicContact CD1-CD1 4.21Å; Y483-L487 HydrophobicContact CD2-CD1 4.15Å; Y483-L487 HydrophobicContact CE1-CD1 3.76Å; Y483-L487 HydrophobicContact CE2-CD1 3.66Å; Y483-L487 HydrophobicContact CE2-CG 4.36Å; Y483-L487 HydrophobicContact CG-CD1 4.41Å; Y483-L487 VanDerWaalsContact CZ-CD1 3.47Å; Y483-L487 WeakPolarHBondContact O-CG 3.4Å; Y483-L487 PolarHBondContact O-N 3.3Å; Y483-L487 VanDerWaalsContact O-N 3.14Å; H484-L487 PolarHBondContact O-N 3.46Å; L487-G489 VanDerWaalsContact C-N 3.28Å; L487-G489 PolarHBondContact O-N 3.04Å; L487-L490 HydrophobicContact CD2-CD1 4.3Å; L487-L490 PolarHBondContact O-N 3.12Å; L487-S491 PolarHBondContact O-N 3Å; L487-L715 HydrophobicContact CD2-CD2 4.48Å; L487-A718 HydrophobicContact CD1-CB 4.2Å; L487-A718 HydrophobicContact CD2-CB 4.25Å; L487-G747 WeakPolarHBondContact CD1-O 3.44Å; L487-A751 HydrophobicContact CD1-CB 4.17Å; L487-A751 HydrophobicContact CD2-CB 4.47Å; L487-I754 WeakPolarHBondContact O-CD1 3.46Å |
| 488 | R | 93.3 | Very high | 90.9 | Very high | 15 Ų | 15 | 4.8 Ų | 4.8 | 6% | 0.057 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -63.9 | -35.6 | 173.7 | -172.8 | 62.6 | 166.2 | -166.6 | -2.4 | 111.8 | H484 Q485 S491 M492 L504 P510 E750 | H484-R488 WeakPolarHBondContact O-CB 3.48Å; H484-R488 PolarHBondContact O-N 2.96Å; Q485-R488 PolarHBondContact O-N 3.4Å; R488-S491 WeakPolarHBondContact O-CB 3.44Å; R488-S491 PolarHBondContact O-N 2.94Å; R488-M492 HydrophobicContact CG-CE 4.46Å; R488-M492 PolarHBondContact O-N 2.77Å; R488-M492 VanDerWaalsContact O-N 3.08Å; R488-L504 PolarHBondContact NH2-O 2.83Å; R488-P510 HydrophobicContact CB-CB 3.98Å; R488-P510 HydrophobicContact CB-CG 4.14Å; R488-P510 HydrophobicContact CG-CB 3.61Å; R488-P510 HydrophobicContact CG-CG 3.63Å; R488-E750 WeakPolarHBondContact CD-OE1 3.28Å; R488-E750 IonicContact CZ-OE1 2.75Å; R488-E750 IonicContact NE-OE1 3.64Å; R488-E750 IonicContact NH1-OE1 3.49Å; R488-E750 PolarHBondContact NH1-OE1 2.99Å; R488-E750 IonicContact NH1-OE2 2.78Å |
| 489 | G | 92.7 | Very high | 91.1 | Very high | 1 Ų | 1 | 3.6 Ų | 3.6 | 1% | 0.01 | 2% | 0.019 | C | C | . | . | H | α-helix | trans | -56.2 | -51.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q485 A486 L487 S491 M492 I493 | Q485-G489 PolarHBondContact O-N 2.85Å; A486-G489 PolarHBondContact O-N 3.05Å; L487-G489 VanDerWaalsContact C-N 3.28Å; L487-G489 PolarHBondContact O-N 3.04Å; G489-S491 VanDerWaalsContact C-N 3.26Å; G489-S491 PolarHBondContact O-N 2.99Å; G489-M492 PolarHBondContact O-N 2.78Å; G489-I493 WeakPolarHBondContact O-CG1 3.25Å; G489-I493 PolarHBondContact O-N 3.13Å |
| 490 | L | 95.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 3.8 Ų | 3.8 | 0% | 0 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -60.9 | -35.4 | 174.5 | -63.2 | -178 | 0 | 0 | 0 | 112.3 | W391 L439 P445 A486 L487 M492 I493 V494 F711 W714 I754 | W391-L490 HydrophobicContact CH2-CD2 4.32Å; L439-L490 HydrophobicContact CD1-CD2 3.96Å; P445-L490 HydrophobicContact CG-CD1 4.12Å; A486-L490 PolarHBondContact O-N 3.14Å; A486-L490 VanDerWaalsContact O-N 3.16Å; L487-L490 HydrophobicContact CD2-CD1 4.3Å; L487-L490 PolarHBondContact O-N 3.12Å; L490-M492 PolarHBondContact O-N 2.91Å; L490-I493 HydrophobicContact CD2-CD1 4.46Å; L490-I493 PolarHBondContact O-N 3.02Å; L490-V494 WeakPolarHBondContact O-CG2 3.23Å; L490-V494 PolarHBondContact O-N 3.2Å; L490-F711 HydrophobicContact CD2-CD1 4.1Å; L490-F711 HydrophobicContact CD2-CE1 3.91Å; L490-W714 HydrophobicContact CD1-CE3 3.8Å; L490-W714 HydrophobicContact CD1-CZ3 4.27Å; L490-W714 HydrophobicContact CD2-CE3 4.45Å; L490-W714 HydrophobicContact CD2-CZ3 4.12Å; L490-I754 HydrophobicContact CB-CD1 4.43Å |
| 491 | S | 94.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -56.1 | -48.8 | 174.6 | -142.8 | 0 | 0 | 0 | 0 | 111.8 | L487 R488 G489 I493 V494 D495 T505 E750 I754 R757 | L487-S491 PolarHBondContact O-N 3Å; R488-S491 WeakPolarHBondContact O-CB 3.44Å; R488-S491 PolarHBondContact O-N 2.94Å; G489-S491 VanDerWaalsContact C-N 3.26Å; G489-S491 PolarHBondContact O-N 2.99Å; S491-I493 VanDerWaalsContact C-N 3.34Å; S491-I493 PolarHBondContact O-N 3.48Å; S491-V494 PolarHBondContact O-N 2.88Å; S491-D495 WeakPolarHBondContact O-CB 3.33Å; S491-D495 PolarHBondContact O-N 2.86Å; S491-T505 WeakPolarHBondContact OG-CG2 3.46Å; S491-E750 WeakPolarHBondContact CB-OE1 3.37Å; S491-E750 PolarHBondContact OG-OE1 3.01Å; S491-I754 WeakPolarHBondContact OG-CG1 3.19Å; S491-R757 PolarHBondContact OG-NH2 3.22Å |
| 492 | M | 93.1 | Very high | 90.5 | Very high | 2 Ų | 2 | 8.3 Ų | 8.3 | 1% | 0.01 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -64.7 | -34.9 | 176.6 | -66.2 | 173.6 | 177.6 | 0 | 0 | 113.2 | V396 Y415 F418 R488 G489 L490 G496 T505 I508 P510 | V396-M492 HydrophobicContact CG1-CB 4.47Å; V396-M492 HydrophobicContact CG2-CB 3.79Å; V396-M492 HydrophobicContact CG2-SD 4.13Å; Y415-M492 PolarHBondContact OH-O 3.1Å; F418-M492 HydrophobicContact CZ-SD 4.36Å; R488-M492 HydrophobicContact CG-CE 4.46Å; R488-M492 PolarHBondContact O-N 2.77Å; R488-M492 VanDerWaalsContact O-N 3.08Å; G489-M492 PolarHBondContact O-N 2.78Å; L490-M492 PolarHBondContact O-N 2.91Å; M492-G496 PolarHBondContact O-N 2.8Å; M492-G496 VanDerWaalsContact O-N 3.16Å; M492-T505 WeakPolarHBondContact CE-O 3.48Å; M492-T505 WeakPolarHBondContact CG-O 3.33Å; M492-I508 WeakPolarHBondContact CE-O 3.37Å; M492-P510 HydrophobicContact CE-CG 4.48Å |
| 493 | I | 92.8 | Very high | 90.4 | Very high | 2 Ų | 2 | 8.9 Ų | 8.9 | 1% | 0.01 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -69.3 | -47.1 | 177.4 | -66.3 | 173.7 | 0 | 0 | 0 | 110.2 | V396 L439 G489 L490 S491 G496 F497 F711 | V396-I493 HydrophobicContact CG2-CD1 4.34Å; V396-I493 HydrophobicContact CG2-CG1 3.78Å; L439-I493 HydrophobicContact CD1-CD1 4.27Å; G489-I493 WeakPolarHBondContact O-CG1 3.25Å; G489-I493 PolarHBondContact O-N 3.13Å; L490-I493 HydrophobicContact CD2-CD1 4.46Å; L490-I493 PolarHBondContact O-N 3.02Å; S491-I493 VanDerWaalsContact C-N 3.34Å; S491-I493 PolarHBondContact O-N 3.48Å; I493-G496 PolarHBondContact O-N 3.31Å; I493-F497 HydrophobicContact CG2-CD2 3.71Å; I493-F497 HydrophobicContact CG2-CE2 3.48Å; I493-F497 VanDerWaalsContact CG2-CE2 3.48Å; I493-F497 VanDerWaalsContact O-CD2 3.25Å; I493-F497 WeakPolarHBondContact O-CD2 3.11Å; I493-F497 PolarHBondContact O-N 3.5Å; I493-F711 HydrophobicContact CG2-CZ 3.82Å |
| 494 | V | 94.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 8.9 Ų | 8.9 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -65.2 | -48 | 178.9 | 169.5 | 0 | 0 | 0 | 0 | 111.4 | L490 S491 G496 F497 L498 F711 I754 I758 | L490-V494 WeakPolarHBondContact O-CG2 3.23Å; L490-V494 PolarHBondContact O-N 3.2Å; S491-V494 PolarHBondContact O-N 2.88Å; V494-G496 PolarHBondContact O-N 3.03Å; V494-F497 PolarHBondContact O-N 2.57Å; V494-F497 VanDerWaalsContact O-N 3.16Å; V494-L498 HydrophobicContact CG1-CD1 3.69Å; V494-L498 HydrophobicContact CG1-CG 4.27Å; V494-L498 WeakPolarHBondContact O-CB 3.44Å; V494-L498 VanDerWaalsContact O-CG 3.26Å; V494-L498 WeakPolarHBondContact O-CG 3.44Å; V494-L498 PolarHBondContact O-N 2.93Å; V494-F711 HydrophobicContact CG2-CD2 3.85Å; V494-F711 HydrophobicContact CG2-CE2 3.84Å; V494-I754 HydrophobicContact CB-CG2 4.14Å; V494-I754 HydrophobicContact CG1-CG2 4.03Å; V494-I754 HydrophobicContact CG2-CG2 3.92Å; V494-I758 HydrophobicContact CG1-CD1 4.06Å; V494-I758 HydrophobicContact CG1-CG1 3.57Å; V494-I758 HydrophobicContact CG2-CD1 4.3Å |
| 495 | D | 91.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -56.5 | -35.5 | 175 | -83.5 | 28.2 | 0 | 0 | 0 | 111.6 | S491 G499 I500 S503 T505 I506 R757 | S491-D495 WeakPolarHBondContact O-CB 3.33Å; S491-D495 PolarHBondContact O-N 2.86Å; D495-G499 WeakPolarHBondContact O-CA 3.49Å; D495-G499 PolarHBondContact O-N 2.94Å; D495-I500 PolarHBondContact O-N 2.97Å; D495-S503 PolarHBondContact OD2-OG 3.43Å; D495-T505 WeakPolarHBondContact CB-OG1 3.43Å; D495-T505 WeakPolarHBondContact OD2-CG2 3.07Å; D495-T505 PolarHBondContact OD2-OG1 3.16Å; D495-I506 HydrophobicContact CB-CD1 4.04Å; D495-I506 HydrophobicContact CB-CG1 4.18Å; D495-R757 IonicContact OD1-CZ 3.35Å; D495-R757 VanDerWaalsContact OD1-CZ 3.27Å; D495-R757 IonicContact OD1-NE 2.9Å; D495-R757 PolarHBondContact OD1-NE 2.83Å; D495-R757 IonicContact OD1-NH2 2.71Å; D495-R757 PolarHBondContact OD1-NH2 2.86Å; D495-R757 IonicContact OD2-NE 2.66Å |
| 496 | G | 89.2 | Confident | 89.9 | Confident | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -67.2 | -46 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | L403 Y415 M492 I493 V494 L498 G499 | L403-G496 WeakPolarHBondContact CD1-O 3.4Å; Y415-G496 WeakPolarHBondContact OH-CA 3.07Å; M492-G496 PolarHBondContact O-N 2.8Å; M492-G496 VanDerWaalsContact O-N 3.16Å; I493-G496 PolarHBondContact O-N 3.31Å; V494-G496 PolarHBondContact O-N 3.03Å; G496-L498 VanDerWaalsContact C-N 3.33Å; G496-L498 PolarHBondContact O-N 3.19Å; G496-G499 WeakPolarHBondContact O-CA 3.38Å; G496-G499 PolarHBondContact O-N 3.07Å; G496-G499 VanDerWaalsContact O-N 3.07Å |
| 497 | F | 89.6 | Confident | 89.1 | Confident | 18 Ų | 18 | 11.4 Ų | 11.4 | 8% | 0.079 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -65.9 | -35.6 | 176.6 | -81.4 | -62.3 | 0 | 0 | 0 | 113.2 | L402 L403 W435 I493 V494 G499 P702 L707 | L402-F497 HydrophobicContact CD2-CE1 4.15Å; L402-F497 HydrophobicContact CD2-CZ 3.99Å; L403-F497 HydrophobicContact CD2-CD1 3.77Å; L403-F497 HydrophobicContact CD2-CE1 4.14Å; W435-F497 HydrophobicContact CH2-CE2 4.46Å; W435-F497 HydrophobicContact CH2-CZ 4.13Å; W435-F497 AromaticContact CZ2-CE2 3.76Å; W435-F497 HydrophobicContact CZ2-CE2 3.76Å; W435-F497 AromaticContact CZ2-CZ 3.62Å; W435-F497 HydrophobicContact CZ2-CZ 3.62Å; I493-F497 HydrophobicContact CG2-CD2 3.71Å; I493-F497 HydrophobicContact CG2-CE2 3.48Å; I493-F497 VanDerWaalsContact CG2-CE2 3.48Å; I493-F497 VanDerWaalsContact O-CD2 3.25Å; I493-F497 WeakPolarHBondContact O-CD2 3.11Å; I493-F497 PolarHBondContact O-N 3.5Å; V494-F497 PolarHBondContact O-N 2.57Å; V494-F497 VanDerWaalsContact O-N 3.16Å; F497-G499 VanDerWaalsContact C-N 3.28Å; F497-P702 HydrophobicContact CB-CG 4.13Å; F497-P702 WeakPolarHBondContact O-CD 3.45Å; F497-L707 HydrophobicContact CB-CD2 4.32Å |
| 498 | L | 88.4 | Confident | 88.5 | Confident | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -72.7 | -25.5 | 171.5 | -63.2 | 174.4 | 0 | 0 | 0 | 111.8 | V494 G496 I500 N698 L707 R757 A762 | V494-L498 HydrophobicContact CG1-CD1 3.69Å; V494-L498 HydrophobicContact CG1-CG 4.27Å; V494-L498 WeakPolarHBondContact O-CB 3.44Å; V494-L498 VanDerWaalsContact O-CG 3.26Å; V494-L498 WeakPolarHBondContact O-CG 3.44Å; V494-L498 PolarHBondContact O-N 2.93Å; G496-L498 VanDerWaalsContact C-N 3.33Å; G496-L498 PolarHBondContact O-N 3.19Å; L498-I500 HydrophobicContact CB-CD1 4.07Å; L498-I500 HydrophobicContact CB-CG1 3.75Å; L498-I500 HydrophobicContact CD1-CD1 3.84Å; L498-I500 HydrophobicContact CD1-CG1 4.46Å; L498-N698 WeakPolarHBondContact O-CB 3.46Å; L498-N698 PolarHBondContact O-N 2.95Å; L498-L707 HydrophobicContact CD2-CD1 3.84Å; L498-L707 HydrophobicContact CG-CD1 4.42Å; L498-R757 HydrophobicContact CD1-CB 4.44Å; L498-A762 HydrophobicContact CD2-CB 3.63Å |
| 499 | G | 84.2 | Confident | 87.9 | Confident | 10 Ų | 10 | 15.5 Ų | 15.5 | 10% | 0.103 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | 44.2 | -175 | 0 | 0 | 0 | 0 | 0 | 112.4 | D495 G496 F497 H501 I696 | D495-G499 WeakPolarHBondContact O-CA 3.49Å; D495-G499 PolarHBondContact O-N 2.94Å; G496-G499 WeakPolarHBondContact O-CA 3.38Å; G496-G499 PolarHBondContact O-N 3.07Å; G496-G499 VanDerWaalsContact O-N 3.07Å; F497-G499 VanDerWaalsContact C-N 3.28Å; G499-H501 PolarHBondContact O-N 3.15Å; G499-I696 VanDerWaalsContact O-O 3.11Å |
| 500 | I | 85.2 | Confident | 87.3 | Confident | 4 Ų | 4 | 15.7 Ų | 15.7 | 2% | 0.021 | 10% | 0.095 | C | C | . | . | trans | -68.7 | 119.5 | 180 | -63.5 | 174 | 0 | 0 | 0 | 109 | D495 L498 S503 W688 I695 L697 R757 Y761 | D495-I500 PolarHBondContact O-N 2.97Å; L498-I500 HydrophobicContact CB-CD1 4.07Å; L498-I500 HydrophobicContact CB-CG1 3.75Å; L498-I500 HydrophobicContact CD1-CD1 3.84Å; L498-I500 HydrophobicContact CD1-CG1 4.46Å; I500-S503 WeakPolarHBondContact O-CB 3.47Å; I500-S503 PolarHBondContact O-N 3.5Å; I500-W688 HydrophobicContact CG2-CH2 3.92Å; I500-W688 HydrophobicContact CG2-CZ2 3.53Å; I500-I695 HydrophobicContact CG2-CG2 4.04Å; I500-L697 HydrophobicContact CG1-CD2 3.93Å; I500-R757 HydrophobicContact CD1-CB 4.36Å; I500-Y761 HydrophobicContact CD1-CD2 3.64Å; I500-Y761 HydrophobicContact CD1-CE2 4.15Å; I500-Y761 HydrophobicContact CD1-CG 4.45Å; I500-Y761 HydrophobicContact CG1-CD2 4.3Å | ||
| 501 | H | 80.7 | Confident | 86.5 | Confident | 82 Ų | 82 | 17.5 Ų | 17.5 | 38% | 0.38 | 10% | 0.102 | S | C | . | . | B | Isolated β-bridge | trans | -130.7 | 125.6 | 174.9 | -168.7 | -86.6 | 0 | 0 | 0 | 111.4 | N411 G499 I696 | N411-H501 PolarHBondContact ND2-NE2 3.15Å; G499-H501 PolarHBondContact O-N 3.15Å; H501-I696 HydrophobicContact CB-CB 4.35Å; H501-I696 PolarHBondContact N-O 2.86Å; H501-I696 PolarHBondContact O-N 3.4Å |
| 502 | P | 83.4 | Confident | 85.9 | Confident | 34 Ų | 34 | 17.9 Ų | 17.9 | 22% | 0.221 | 11% | 0.105 | C | C | . | . | S | Bend | cis | -75.9 | 135.3 | -5.5 | 31.6 | -33.8 | 0 | 0 | 0 | 112.1 | L684 W688 | P502-L684 HydrophobicContact CB-CD1 4.41Å; P502-L684 HydrophobicContact CB-CD2 3.69Å; P502-L684 HydrophobicContact CG-CD2 3.88Å; P502-W688 WeakPolarHBondContact O-CZ2 3.23Å; P502-W688 PolarHBondContact O-NE1 3.4Å |
| 503 | S | 87 | Confident | 85.3 | Confident | 12 Ų | 12 | 17.8 Ų | 17.8 | 8% | 0.084 | 10% | 0.104 | C | C | . | . | trans | -80 | 148.1 | 173.5 | 169.6 | 0 | 0 | 0 | 0 | 111.6 | D495 I500 T505 I506 | D495-S503 PolarHBondContact OD2-OG 3.43Å; I500-S503 WeakPolarHBondContact O-CB 3.47Å; I500-S503 PolarHBondContact O-N 3.5Å; S503-T505 PolarHBondContact OG-N 2.86Å; S503-T505 PolarHBondContact OG-OG1 3.23Å; S503-I506 WeakPolarHBondContact OG-CG1 3.31Å; S503-I506 PolarHBondContact OG-N 2.75Å; S503-I506 VanDerWaalsContact OG-N 3.13Å | ||
| 504 | L | 89.4 | Confident | 85 | Confident | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -96.1 | 7 | 173.7 | -64.9 | 168 | 0 | 0 | 0 | 112.7 | R488 L681 L684 W688 F800 Y801 | R488-L504 PolarHBondContact NH2-O 2.83Å; L504-L681 HydrophobicContact CB-CD2 4.31Å; L504-L681 HydrophobicContact CD2-CD2 3.91Å; L504-L684 HydrophobicContact CD2-CB 3.42Å; L504-L684 VanDerWaalsContact CD2-CB 3.42Å; L504-L684 HydrophobicContact CD2-CD1 4.19Å; L504-L684 HydrophobicContact CD2-CG 4.48Å; L504-W688 HydrophobicContact CD1-CD2 3.73Å; L504-W688 HydrophobicContact CD1-CE3 3.97Å; L504-W688 HydrophobicContact CD1-CG 4.24Å; L504-W688 HydrophobicContact CD1-CH2 4.17Å; L504-W688 HydrophobicContact CD1-CZ2 3.91Å; L504-W688 HydrophobicContact CD1-CZ3 4.19Å; L504-W688 HydrophobicContact CG-CD2 4.42Å; L504-W688 HydrophobicContact CG-CZ2 4.03Å; L504-F800 HydrophobicContact CD1-CE1 3.44Å; L504-F800 VanDerWaalsContact CD1-CE1 3.44Å; L504-F800 HydrophobicContact CD1-CZ 3.63Å; L504-Y801 HydrophobicContact CD1-CE1 4.09Å |
| 505 | T | 89.5 | Confident | 84.6 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -124.4 | -45.4 | -174.9 | 68.9 | 0 | 0 | 0 | 0 | 112.5 | S491 M492 D495 S503 G507 I508 | S491-T505 WeakPolarHBondContact OG-CG2 3.46Å; M492-T505 WeakPolarHBondContact CE-O 3.48Å; M492-T505 WeakPolarHBondContact CG-O 3.33Å; D495-T505 WeakPolarHBondContact CB-OG1 3.43Å; D495-T505 WeakPolarHBondContact OD2-CG2 3.07Å; D495-T505 PolarHBondContact OD2-OG1 3.16Å; S503-T505 PolarHBondContact OG-N 2.86Å; S503-T505 PolarHBondContact OG-OG1 3.23Å; T505-G507 PolarHBondContact O-N 3.26Å; T505-I508 PolarHBondContact O-N 2.95Å |
| 506 | I | 85.8 | Confident | 84 | Confident | 20 Ų | 20 | 19.8 Ų | 19.8 | 10% | 0.103 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | 129.7 | -173.2 | -58.1 | 162.8 | 0 | 0 | 0 | 110.4 | A414 Y415 D495 S503 I508 | A414-I506 HydrophobicContact CB-CG2 3.71Å; Y415-I506 HydrophobicContact CD1-CG2 3.94Å; Y415-I506 HydrophobicContact CD2-CG2 4.16Å; Y415-I506 HydrophobicContact CE1-CG1 4.24Å; Y415-I506 HydrophobicContact CE1-CG2 3.63Å; Y415-I506 HydrophobicContact CE2-CD1 4.04Å; Y415-I506 HydrophobicContact CE2-CG2 3.88Å; Y415-I506 HydrophobicContact CG-CG2 4.21Å; Y415-I506 WeakPolarHBondContact OH-CD1 3.27Å; Y415-I506 WeakPolarHBondContact OH-CG1 3.49Å; D495-I506 HydrophobicContact CB-CD1 4.04Å; D495-I506 HydrophobicContact CB-CG1 4.18Å; S503-I506 WeakPolarHBondContact OG-CG1 3.31Å; S503-I506 PolarHBondContact OG-N 2.75Å; S503-I506 VanDerWaalsContact OG-N 3.13Å; I506-I508 PolarHBondContact O-N 2.98Å |
| 507 | G | 76.6 | Confident | 83.6 | Confident | 39 Ų | 39 | 24.3 Ų | 24.3 | 40% | 0.402 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | 5.6 | 177 | 0 | 0 | 0 | 0 | 0 | 115.2 | T505 | T505-G507 PolarHBondContact O-N 3.26Š|
| 508 | I | 82.6 | Confident | 83.3 | Confident | 13 Ų | 13 | 23.6 Ų | 23.6 | 7% | 0.067 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -112.3 | 125.9 | -176.6 | -62.6 | 171.9 | 0 | 0 | 0 | 109.5 | M492 T505 I506 V512 L681 | M492-I508 WeakPolarHBondContact CE-O 3.37Å; T505-I508 PolarHBondContact O-N 2.95Å; I506-I508 PolarHBondContact O-N 2.98Å; I508-V512 HydrophobicContact CG2-CB 4.1Å; I508-V512 HydrophobicContact CG2-CG1 4.47Å; I508-V512 HydrophobicContact CG2-CG2 4.41Å; I508-L681 HydrophobicContact CD1-CD2 3.59Å; I508-L681 HydrophobicContact CD1-CG 4.02Å; I508-L681 HydrophobicContact CG2-CD1 4.01Å; I508-L681 HydrophobicContact CG2-CD2 4.46Å; I508-L681 HydrophobicContact CG2-CG 4.28Å |
| 509 | D | 79.9 | Confident | 83 | Confident | 88 Ų | 88 | 23.8 Ų | 23.8 | 47% | 0.471 | 13% | 0.134 | S | C | . | . | trans | -58.5 | 132.1 | -178.4 | -85.2 | -55.1 | 0 | 0 | 0 | 111.6 | F511 V512 | D509-F511 PolarHBondContact O-N 3.02Å; D509-V512 HydrophobicContact CB-CG2 3.76Å; D509-V512 WeakPolarHBondContact O-CB 3.46Å; D509-V512 VanDerWaalsContact O-CG2 3.29Å; D509-V512 WeakPolarHBondContact O-CG2 3.21Å; D509-V512 PolarHBondContact O-N 3.23Å | ||
| 510 | P | 80.9 | Confident | 82.6 | Confident | 5 Ų | 5 | 25 Ų | 25 | 3% | 0.032 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -17.7 | -174 | -33.3 | 40.1 | 0 | 0 | 0 | 117.2 | H484 Q485 R488 M492 | H484-P510 PolarHBondContact CE1-O 3.16Å; Q485-P510 VanDerWaalsContact OE1-CB 3.31Å; Q485-P510 VanDerWaalsContact OE1-CG 3.26Å; R488-P510 HydrophobicContact CB-CB 3.98Å; R488-P510 HydrophobicContact CB-CG 4.14Å; R488-P510 HydrophobicContact CG-CB 3.61Å; R488-P510 HydrophobicContact CG-CG 3.63Å; M492-P510 HydrophobicContact CE-CG 4.48Å |
| 511 | F | 78.1 | Confident | 81.7 | Confident | 37 Ų | 37 | 28.3 Ų | 28.3 | 16% | 0.162 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -17.8 | 178 | -173.8 | -99.7 | 0 | 0 | 0 | 113.2 | Y481 D509 G513 V514 P516 Y519 F526 | Y481-F511 HydrophobicContact CE2-CD2 4.31Å; D509-F511 PolarHBondContact O-N 3.02Å; F511-G513 PolarHBondContact O-N 2.9Å; F511-V514 PolarHBondContact O-N 2.94Å; F511-P516 HydrophobicContact CE2-CB 4.39Å; F511-P516 HydrophobicContact CE2-CG 4.42Å; F511-P516 HydrophobicContact CZ-CB 4.07Å; F511-P516 HydrophobicContact CZ-CG 3.73Å; F511-Y519 HydrophobicContact CD2-CE2 4.07Å; F511-Y519 HydrophobicContact CE2-CD2 4.49Å; F511-Y519 HydrophobicContact CE2-CE2 4.04Å; F511-F526 HydrophobicContact CD2-CD2 4.47Å; F511-F526 HydrophobicContact CE2-CB 3.87Å; F511-F526 AromaticContact CE2-CD2 3.76Å; F511-F526 HydrophobicContact CE2-CD2 3.76Å; F511-F526 AromaticContact CE2-CG 3.94Å; F511-F526 HydrophobicContact CE2-CG 3.94Å; F511-F526 HydrophobicContact CZ-CB 3.68Å; F511-F526 HydrophobicContact CZ-CD2 4.45Å; F511-F526 HydrophobicContact CZ-CG 4.25Å |
| 512 | V | 81.9 | Confident | 81.1 | Confident | 9 Ų | 9 | 24.6 Ų | 24.6 | 6% | 0.055 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | 124.8 | -174.7 | -175.4 | 0 | 0 | 0 | 0 | 109.8 | I508 D509 Q677 V678 L681 | I508-V512 HydrophobicContact CG2-CB 4.1Å; I508-V512 HydrophobicContact CG2-CG1 4.47Å; I508-V512 HydrophobicContact CG2-CG2 4.41Å; D509-V512 HydrophobicContact CB-CG2 3.76Å; D509-V512 WeakPolarHBondContact O-CB 3.46Å; D509-V512 VanDerWaalsContact O-CG2 3.29Å; D509-V512 WeakPolarHBondContact O-CG2 3.21Å; D509-V512 PolarHBondContact O-N 3.23Å; V512-Q677 HydrophobicContact CG1-CB 3.78Å; V512-Q677 HydrophobicContact CG2-CB 4.29Å; V512-V678 HydrophobicContact CG1-CG2 3.61Å; V512-L681 HydrophobicContact CB-CD1 4.29Å; V512-L681 HydrophobicContact CG1-CD1 3.68Å |
| 513 | G | 80.4 | Confident | 80.2 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.4 | 1.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | F511 P836 E837 | F511-G513 PolarHBondContact O-N 2.9Å; G513-P836 CarbonylContact O-C 3.39Å; G513-P836 WeakPolarHBondContact O-CA 3.14Å; G513-E837 PolarHBondContact O-N 3.08Å |
| 514 | V | 87.1 | Confident | 78.7 | Confident | 6 Ų | 6 | 31.1 Ų | 31.1 | 4% | 0.036 | 17% | 0.169 | C | C | . | . | trans | -101.3 | 130.3 | 178 | -173.5 | 0 | 0 | 0 | 0 | 110.7 | F511 P516 Y519 V746 | F511-V514 PolarHBondContact O-N 2.94Å; V514-P516 VanDerWaalsContact O-CD 3.32Å; V514-P516 WeakPolarHBondContact O-CD 3.23Å; V514-Y519 HydrophobicContact CB-CE2 4.46Å; V514-Y519 HydrophobicContact CG1-CE2 3.81Å; V514-V746 HydrophobicContact CG1-CG1 3.71Å; V514-V746 HydrophobicContact CG1-CG2 3.93Å; V514-V746 HydrophobicContact CG2-CG1 4.18Å | ||
| 515 | I | 85.6 | Confident | 77 | Confident | 32 Ų | 32 | 32 Ų | 32 | 16% | 0.164 | 17% | 0.174 | C | C | . | . | trans | -63.3 | 116.9 | 172.2 | -67.6 | 173.9 | 0 | 0 | 0 | 108.9 | E517 L518 M834 K835 E837 | I515-E517 VanDerWaalsContact C-N 3.27Å; I515-E517 HydrophobicContact CG2-CB 4.08Å; I515-E517 WeakPolarHBondContact CG2-OE2 3.45Å; I515-E517 PolarHBondContact O-N 3.42Å; I515-L518 HydrophobicContact CB-CD1 3.95Å; I515-L518 HydrophobicContact CB-CG 4.09Å; I515-L518 HydrophobicContact CG2-CG 4.26Å; I515-L518 WeakPolarHBondContact O-CB 3.25Å; I515-L518 PolarHBondContact O-N 3.35Å; I515-L518 VanDerWaalsContact O-N 3.15Å; I515-M834 HydrophobicContact CD1-CG 3.99Å; I515-M834 HydrophobicContact CD1-SD 4.08Å; I515-M834 HydrophobicContact CG2-SD 4.42Å; I515-K835 WeakPolarHBondContact CD1-O 3.38Å; I515-E837 HydrophobicContact CG1-CG 4.44Å | ||
| 516 | P | 79.5 | Confident | 75.5 | Confident | 5 Ų | 5 | 34.1 Ų | 34.1 | 3% | 0.032 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -59.5 | -35.4 | -173.4 | -24.8 | 34.1 | 0 | 0 | 0 | 113.6 | F511 V514 L518 Y519 G523 Q527 | F511-P516 HydrophobicContact CE2-CB 4.39Å; F511-P516 HydrophobicContact CE2-CG 4.42Å; F511-P516 HydrophobicContact CZ-CB 4.07Å; F511-P516 HydrophobicContact CZ-CG 3.73Å; V514-P516 VanDerWaalsContact O-CD 3.32Å; V514-P516 WeakPolarHBondContact O-CD 3.23Å; P516-L518 PolarHBondContact O-N 2.94Å; P516-L518 VanDerWaalsContact O-N 3.08Å; P516-Y519 WeakPolarHBondContact O-CD2 3.4Å; P516-Y519 PolarHBondContact O-N 3.46Å; P516-G523 WeakPolarHBondContact CB-O 3.48Å; P516-G523 WeakPolarHBondContact O-CA 3.48Å; P516-Q527 HydrophobicContact CG-CG 4.47Å |
| 517 | E | 79.7 | Confident | 73.7 | Confident | 95 Ų | 95 | 38.7 Ų | 38.7 | 44% | 0.444 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -58.3 | -21.4 | -179.7 | -68 | 71.4 | -161.9 | 0 | 0 | 113.3 | I515 Y519 G520 Q527 | I515-E517 VanDerWaalsContact C-N 3.27Å; I515-E517 HydrophobicContact CG2-CB 4.08Å; I515-E517 WeakPolarHBondContact CG2-OE2 3.45Å; I515-E517 PolarHBondContact O-N 3.42Å; E517-Y519 VanDerWaalsContact C-N 3.26Å; E517-Y519 PolarHBondContact O-N 3.22Å; E517-G520 PolarHBondContact O-N 3.2Å; E517-Q527 PolarHBondContact OE1-NE2 3.26Å |
| 518 | L | 83.8 | Confident | 71.8 | Confident | 3 Ų | 3 | 39.3 Ų | 39.3 | 2% | 0.016 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -67.2 | -24.4 | 176.2 | -66.7 | 174.2 | 0 | 0 | 0 | 113.2 | I515 P516 G520 V746 Y793 M834 | I515-L518 HydrophobicContact CB-CD1 3.95Å; I515-L518 HydrophobicContact CB-CG 4.09Å; I515-L518 HydrophobicContact CG2-CG 4.26Å; I515-L518 WeakPolarHBondContact O-CB 3.25Å; I515-L518 PolarHBondContact O-N 3.35Å; I515-L518 VanDerWaalsContact O-N 3.15Å; P516-L518 PolarHBondContact O-N 2.94Å; P516-L518 VanDerWaalsContact O-N 3.08Å; L518-G520 PolarHBondContact O-N 2.88Å; L518-V746 HydrophobicContact CB-CG2 3.59Å; L518-V746 HydrophobicContact CD1-CG2 4.02Å; L518-V746 HydrophobicContact CG-CG2 4.44Å; L518-Y793 HydrophobicContact CD1-CD1 4.05Å; L518-Y793 HydrophobicContact CD1-CD2 3.48Å; L518-Y793 VanDerWaalsContact CD1-CD2 3.48Å; L518-Y793 HydrophobicContact CD1-CE1 4.18Å; L518-Y793 HydrophobicContact CD1-CE2 3.63Å; L518-Y793 HydrophobicContact CD1-CG 3.71Å; L518-M834 HydrophobicContact CD2-CE 3.71Å; L518-M834 HydrophobicContact CD2-CG 3.99Å; L518-M834 HydrophobicContact CD2-SD 3.74Å; L518-M834 HydrophobicContact CG-SD 4.33Å |
| 519 | Y | 81.4 | Confident | 69.6 | Low | 5 Ų | 5 | 41.6 Ų | 41.6 | 2% | 0.02 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -79.9 | 4.3 | 171.7 | -56.1 | -69.8 | 0 | 0 | 0 | 113 | P480 Y481 H484 F511 V514 P516 E517 V746 | P480-Y519 HydrophobicContact CB-CD1 4.27Å; Y481-Y519 HydrophobicContact CD2-CD1 4.48Å; Y481-Y519 HydrophobicContact CD2-CE1 4.14Å; Y481-Y519 HydrophobicContact CD2-CE2 4.37Å; H484-Y519 HydrophobicContact CB-CE1 4.11Å; H484-Y519 AromaticContact ND1-CZ 3.92Å; H484-Y519 PolarHBondContact ND1-OH 3.5Å; F511-Y519 HydrophobicContact CD2-CE2 4.07Å; F511-Y519 HydrophobicContact CE2-CD2 4.49Å; F511-Y519 HydrophobicContact CE2-CE2 4.04Å; V514-Y519 HydrophobicContact CB-CE2 4.46Å; V514-Y519 HydrophobicContact CG1-CE2 3.81Å; P516-Y519 WeakPolarHBondContact O-CD2 3.4Å; P516-Y519 PolarHBondContact O-N 3.46Å; E517-Y519 VanDerWaalsContact C-N 3.26Å; E517-Y519 PolarHBondContact O-N 3.22Å; Y519-V746 HydrophobicContact CE1-CB 4.22Å; Y519-V746 HydrophobicContact CE1-CG1 4.4Å; Y519-V746 HydrophobicContact CE1-CG2 4.15Å |
| 520 | G | 75.9 | Confident | 67.2 | Low | 34 Ų | 34 | 42 Ų | 42 | 35% | 0.351 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | 72 | -138 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | E517 L518 I522 G523 | E517-G520 PolarHBondContact O-N 3.2Å; L518-G520 PolarHBondContact O-N 2.88Å; G520-I522 PolarHBondContact O-N 3.25Å; G520-I522 VanDerWaalsContact O-N 3.1Å; G520-G523 PolarHBondContact O-N 2.85Å |
| 521 | P | 67.2 | Low | 64.7 | Low | 74 Ų | 74 | 44.2 Ų | 44.2 | 48% | 0.481 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -56 | -32.5 | -171 | -25.4 | 33.6 | 0 | 0 | 0 | 114.7 | V477 G523 | V477-P521 HydrophobicContact CG1-CB 4.02Å; V477-P521 HydrophobicContact CG1-CG 4.03Å; P521-G523 VanDerWaalsContact C-N 3.32Å; P521-G523 PolarHBondContact O-N 2.73Å |
| 522 | I | 67.8 | Low | 62.4 | Low | 5 Ų | 5 | 48 Ų | 48 | 3% | 0.026 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -71.2 | -22.9 | -178.6 | -87.3 | 172 | 0 | 0 | 0 | 113.6 | V477 Y478 G520 R524 L525 F526 | V477-I522 VanDerWaalsContact C-CD1 3.44Å; V477-I522 HydrophobicContact CB-CD1 4.07Å; V477-I522 HydrophobicContact CG1-CD1 3.74Å; V477-I522 HydrophobicContact CG1-CG1 3.83Å; V477-I522 WeakPolarHBondContact O-CD1 3.48Å; Y478-I522 VanDerWaalsContact CA-CD1 3.46Å; Y478-I522 HydrophobicContact CD1-CD1 3.34Å; Y478-I522 HydrophobicContact CD1-CG1 4.49Å; Y478-I522 HydrophobicContact CD2-CD1 3.71Å; Y478-I522 HydrophobicContact CE1-CD1 3.58Å; Y478-I522 HydrophobicContact CE1-CG1 4.34Å; Y478-I522 HydrophobicContact CE2-CD1 3.95Å; Y478-I522 HydrophobicContact CG-CD1 3.39Å; G520-I522 PolarHBondContact O-N 3.25Å; G520-I522 VanDerWaalsContact O-N 3.1Å; I522-R524 PolarHBondContact O-N 3.08Å; I522-R524 VanDerWaalsContact O-N 3.13Å; I522-L525 HydrophobicContact CG1-CD1 4.12Å; I522-L525 WeakPolarHBondContact O-CB 3.3Å; I522-L525 PolarHBondContact O-N 3.35Å; I522-F526 HydrophobicContact CG2-CD2 3.68Å; I522-F526 HydrophobicContact CG2-CE2 3.19Å; I522-F526 HydrophobicContact CG2-CZ 3.85Å; I522-F526 PolarHBondContact O-N 3.23Å |
| 523 | G | 63.1 | Low | 59.7 | Low | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -53.2 | -37.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | P516 G520 P521 F526 Q527 | P516-G523 WeakPolarHBondContact CB-O 3.48Å; P516-G523 WeakPolarHBondContact O-CA 3.48Å; G520-G523 PolarHBondContact O-N 2.85Å; P521-G523 VanDerWaalsContact C-N 3.32Å; P521-G523 PolarHBondContact O-N 2.73Å; G523-F526 PolarHBondContact O-N 2.81Å; G523-Q527 PolarHBondContact O-N 3.47Å |
| 524 | R | 55.6 | Low | 57.1 | Low | 183 Ų | 183 | 61.1 Ų | 61.1 | 69% | 0.691 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -71.9 | -26.5 | 177.5 | -63.1 | -176 | -180 | -177.4 | -0.4 | 113.6 | I522 | I522-R524 PolarHBondContact O-N 3.08Å; I522-R524 VanDerWaalsContact O-N 3.13Å |
| 525 | L | 54.8 | Low | 54.1 | Low | 19 Ų | 19 | 68.4 Ų | 68.4 | 10% | 0.099 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -69.8 | -45.6 | 175.1 | -71 | 171.6 | 0 | 0 | 0 | 110.1 | P290 L293 I522 Q527 S528 Y529 | P290-L525 HydrophobicContact CB-CD2 4.43Å; P290-L525 HydrophobicContact CG-CD1 4.32Å; P290-L525 HydrophobicContact CG-CD2 4.31Å; L293-L525 HydrophobicContact CD1-CD1 3.92Å; L293-L525 HydrophobicContact CD1-CD2 4.28Å; L293-L525 HydrophobicContact CD1-CG 4.12Å; I522-L525 HydrophobicContact CG1-CD1 4.12Å; I522-L525 WeakPolarHBondContact O-CB 3.3Å; I522-L525 PolarHBondContact O-N 3.35Å; L525-Q527 VanDerWaalsContact C-N 3.3Å; L525-Q527 PolarHBondContact O-N 3.05Å; L525-S528 WeakPolarHBondContact O-CA 3.23Å; L525-S528 PolarHBondContact O-N 2.98Å; L525-S528 PolarHBondContact O-OG 3.35Å; L525-Y529 WeakPolarHBondContact O-CD2 3.37Å |
| 526 | F | 56.7 | Low | 51.3 | Low | 44 Ų | 44 | 73 Ų | 73 | 19% | 0.193 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.5 | -29.7 | -179.8 | -69 | -52.7 | 0 | 0 | 0 | 114.4 | Y481 F511 I522 G523 S528 Y529 | Y481-F526 HydrophobicContact CD1-CE2 4.38Å; Y481-F526 AromaticContact CD1-CZ 3.81Å; Y481-F526 HydrophobicContact CD1-CZ 3.81Å; Y481-F526 AromaticContact CD2-CE2 3.59Å; Y481-F526 HydrophobicContact CD2-CE2 3.59Å; Y481-F526 AromaticContact CD2-CZ 3.7Å; Y481-F526 HydrophobicContact CD2-CZ 3.7Å; Y481-F526 HydrophobicContact CE1-CE1 4.35Å; Y481-F526 AromaticContact CE1-CZ 3.66Å; Y481-F526 HydrophobicContact CE1-CZ 3.66Å; Y481-F526 HydrophobicContact CE2-CE1 4.3Å; Y481-F526 AromaticContact CE2-CE2 3.75Å; Y481-F526 HydrophobicContact CE2-CE2 3.75Å; Y481-F526 AromaticContact CE2-CZ 3.54Å; Y481-F526 HydrophobicContact CE2-CZ 3.54Å; Y481-F526 AromaticContact CG-CE2 3.91Å; Y481-F526 HydrophobicContact CG-CE2 3.91Å; Y481-F526 AromaticContact CG-CZ 3.81Å; Y481-F526 HydrophobicContact CG-CZ 3.81Å; Y481-F526 AromaticContact CZ-CZ 3.52Å; F511-F526 HydrophobicContact CD2-CD2 4.47Å; F511-F526 HydrophobicContact CE2-CB 3.87Å; F511-F526 AromaticContact CE2-CD2 3.76Å; F511-F526 HydrophobicContact CE2-CD2 3.76Å; F511-F526 AromaticContact CE2-CG 3.94Å; F511-F526 HydrophobicContact CE2-CG 3.94Å; F511-F526 HydrophobicContact CZ-CB 3.68Å; F511-F526 HydrophobicContact CZ-CD2 4.45Å; F511-F526 HydrophobicContact CZ-CG 4.25Å; I522-F526 HydrophobicContact CG2-CD2 3.68Å; I522-F526 HydrophobicContact CG2-CE2 3.19Å; I522-F526 HydrophobicContact CG2-CZ 3.85Å; I522-F526 PolarHBondContact O-N 3.23Å; G523-F526 PolarHBondContact O-N 2.81Å; F526-S528 PolarHBondContact O-N 2.96Å; F526-Y529 HydrophobicContact CD1-CD2 4.41Å |
| 527 | Q | 48.8 | Very low | 48.6 | Very low | 117 Ų | 117 | 79.4 Ų | 79.4 | 55% | 0.547 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -10.4 | 170.4 | -74.4 | 174.3 | -3.6 | 0 | 0 | 113.6 | P516 E517 G523 L525 | P516-Q527 HydrophobicContact CG-CG 4.47Å; E517-Q527 PolarHBondContact OE1-NE2 3.26Å; G523-Q527 PolarHBondContact O-N 3.47Å; L525-Q527 VanDerWaalsContact C-N 3.3Å; L525-Q527 PolarHBondContact O-N 3.05Å |
| 528 | S | 37.2 | Very low | 46.1 | Very low | 51 Ų | 51 | 80.8 Ų | 80.8 | 36% | 0.357 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.4 | 11.7 | -173.1 | 78.1 | 0 | 0 | 0 | 0 | 115.6 | K336 L525 F526 | K336-S528 VanDerWaalsContact NZ-CB 3.31Å; K336-S528 PolarHBondContact NZ-OG 2.63Å; L525-S528 WeakPolarHBondContact O-CA 3.23Å; L525-S528 PolarHBondContact O-N 2.98Å; L525-S528 PolarHBondContact O-OG 3.35Å; F526-S528 PolarHBondContact O-N 2.96Å |
| 529 | Y | 36.7 | Very low | 43.2 | Very low | 62 Ų | 62 | 89.9 Ų | 89.9 | 24% | 0.243 | 46% | 0.455 | C | S | . | . | P | Polyproline II helix | trans | -87 | 121.8 | 172.3 | -87.6 | -106.3 | 0 | 0 | 0 | 111.1 | T340 L525 F526 | T340-Y529 HydrophobicContact CG2-CD1 4.34Å; T340-Y529 HydrophobicContact CG2-CE1 3.68Å; L525-Y529 WeakPolarHBondContact O-CD2 3.37Å; F526-Y529 HydrophobicContact CD1-CD2 4.41Å |
| 530 | P | 28.1 | Very low | 40.5 | Very low | 96 Ų | 96 | 94.1 Ų | 94.1 | 62% | 0.623 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -75.3 | 163.4 | 162.2 | 25.4 | -18 | 0 | 0 | 0 | 110.5 | ||
| 531 | P | 29.8 | Very low | 38.1 | Very low | 51 Ų | 51 | 99.1 Ų | 99.1 | 33% | 0.331 | 51% | 0.509 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 141.6 | 178.7 | 30.8 | -34.1 | 0 | 0 | 0 | 110.3 | H533 S670 L671 | P531-H533 VanDerWaalsContact C-N 3.28Å; P531-H533 PolarHBondContact O-N 2.82Å; P531-S670 WeakPolarHBondContact CB-OG 3.47Å; P531-L671 HydrophobicContact CB-CB 4Å; P531-L671 HydrophobicContact CB-CD1 3.95Å; P531-L671 HydrophobicContact CG-CB 3.85Å; P531-L671 HydrophobicContact CG-CD1 4.43Å |
| 532 | F | 28.8 | Very low | 36 | Very low | 117 Ų | 117 | 102.6 Ų | 102.6 | 51% | 0.513 | 52% | 0.523 | S | S | . | . | S | Bend | trans | -66.9 | 82.4 | 171.2 | -94.2 | -74.8 | 0 | 0 | 0 | 111.7 | T340 V344 | T340-F532 HydrophobicContact CG2-CZ 4.39Å; V344-F532 HydrophobicContact CG2-CD1 4.07Å; V344-F532 HydrophobicContact CG2-CE1 3.22Å; V344-F532 HydrophobicContact CG2-CZ 3.48Å; V344-F532 VanDerWaalsContact CG2-CZ 3.48Å |
| 533 | H | 26.2 | Very low | 34 | Very low | 86 Ų | 86 | 110.1 Ų | 110.1 | 40% | 0.398 | 56% | 0.564 | S | S | . | * | trans | -141.5 | 80.2 | 170 | -74.7 | -49.8 | 0 | 0 | 0 | 111.4 | P531 | P531-H533 VanDerWaalsContact C-N 3.28Å; P531-H533 PolarHBondContact O-N 2.82Å | ||
| 534 | K | 24.2 | Very low | 32.1 | Very low | 198 Ų | 198 | 115.9 Ų | 115.9 | 86% | 0.861 | 59% | 0.594 | S | S | * | * | trans | -177.4 | 87.3 | 156.2 | -105.5 | 173.6 | -177.6 | -174.6 | 0 | 108.2 | ||||
| 535 | Y | 25.5 | Very low | 30.8 | Very low | 160 Ų | 160 | 113.5 Ų | 113.5 | 63% | 0.627 | 60% | 0.595 | S | S | * | * | trans | 178.3 | 64.6 | 155 | -94.2 | -55.3 | 0 | 0 | 0 | 110.1 | ||||
| 536 | T | 25.9 | Very low | 29.4 | Very low | 127 Ų | 127 | 121 Ų | 121 | 78% | 0.779 | 63% | 0.63 | S | S | * | * | trans | -129.8 | 65.9 | 162.3 | 51.6 | 0 | 0 | 0 | 0 | 108.1 | T538 | T536-T538 VanDerWaalsContact C-N 3.27Å; T536-T538 PolarHBondContact O-N 3.11Å; T536-T538 VanDerWaalsContact O-N 3.08Å | ||
| 537 | D | 24 | Very low | 28.1 | Very low | 140 Ų | 140 | 125.8 Ų | 125.8 | 75% | 0.749 | 66% | 0.656 | S | S | * | * | trans | -77.9 | 81.6 | 167.7 | -77.1 | -38.3 | 0 | 0 | 0 | 109 | Q539 | D537-Q539 PolarHBondContact O-N 2.95Š| ||
| 538 | T | 27.1 | Very low | 27 | Very low | 124 Ų | 124 | 129.3 Ų | 129.3 | 76% | 0.761 | 67% | 0.665 | S | S | * | * | trans | -76.7 | 91.4 | 157.5 | 45.8 | 0 | 0 | 0 | 0 | 108.2 | T536 S540 | T536-T538 VanDerWaalsContact C-N 3.27Å; T536-T538 PolarHBondContact O-N 3.11Å; T536-T538 VanDerWaalsContact O-N 3.08Å; T538-S540 PolarHBondContact O-N 2.71Å | ||
| 539 | Q | 23.4 | Very low | 26.6 | Very low | 194 Ų | 194 | 134.6 Ų | 134.6 | 91% | 0.907 | 68% | 0.681 | S | S | * | * | trans | -67.7 | 97.3 | 163.3 | -75.4 | -168.2 | -2.1 | 0 | 0 | 109.1 | D537 | D537-Q539 PolarHBondContact O-N 2.95Š| ||
| 540 | S | 24.5 | Very low | 26.1 | Very low | 95 Ų | 95 | 135.3 Ų | 135.3 | 66% | 0.664 | 70% | 0.7 | S | S | * | * | trans | -123.7 | 101.6 | 165.5 | 63.6 | 0 | 0 | 0 | 0 | 110.2 | T538 | T538-S540 PolarHBondContact O-N 2.71Š| ||
| 541 | V | 25 | Very low | 26.1 | Very low | 138 Ų | 138 | 137.9 Ų | 137.9 | 84% | 0.836 | 71% | 0.708 | S | S | * | * | trans | 58.1 | 120.2 | 154.4 | -170.1 | 0 | 0 | 0 | 0 | 117.7 | N543 | V541-N543 PolarHBondContact O-N 3.34Š| ||
| 542 | N | 23.7 | Very low | 25.9 | Very low | 147 Ų | 147 | 143.6 Ų | 143.6 | 79% | 0.786 | 73% | 0.732 | S | S | * | * | trans | -40.7 | 116 | 167 | -64.2 | -22.8 | 0 | 0 | 0 | 113.3 | ||||
| 543 | N | 24.9 | Very low | 25.7 | Very low | 163 Ų | 163 | 143.7 Ų | 143.7 | 87% | 0.872 | 74% | 0.742 | S | S | * | * | trans | -155.6 | 61.2 | 149.9 | -94.5 | -26.1 | 0 | 0 | 0 | 108.2 | V541 D545 | V541-N543 PolarHBondContact O-N 3.34Å; N543-D545 PolarHBondContact O-N 2.95Å | ||
| 544 | D | 24.1 | Very low | 25.7 | Very low | 121 Ų | 121 | 142.5 Ų | 142.5 | 65% | 0.647 | 75% | 0.753 | S | S | * | * | trans | -70.8 | 101.2 | 165.5 | -92.1 | -42.9 | 0 | 0 | 0 | 109.1 | R548 | D544-R548 IonicContact OD1-CZ 3.24Å; D544-R548 IonicContact OD1-NH1 2.87Å; D544-R548 PolarHBondContact OD1-NH1 3.34Å; D544-R548 IonicContact OD1-NH2 2.93Å; D544-R548 IonicContact OD2-NH1 2.82Å | ||
| 545 | D | 26.8 | Very low | 25.7 | Very low | 133 Ų | 133 | 143.2 Ų | 143.2 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -166.5 | -21.3 | 141 | -117.7 | -28 | 0 | 0 | 0 | 116.3 | N543 | N543-D545 PolarHBondContact O-N 2.95Š|
| 546 | E | 26.4 | Very low | 25.6 | Very low | 178 Ų | 178 | 140.9 Ų | 140.9 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -96.5 | -21.4 | -172.4 | -79.3 | -162.1 | 131.4 | 0 | 0 | 117.1 | ||
| 547 | I | 28.4 | Very low | 25.5 | Very low | 144 Ų | 144 | 142.5 Ų | 142.5 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -91.8 | -22.8 | -172.1 | -62.8 | 179 | 0 | 0 | 0 | 113.6 | K549 | I547-K549 VanDerWaalsContact C-N 3.28Å; I547-K549 PolarHBondContact O-N 3.44Å |
| 548 | R | 27.4 | Very low | 25.7 | Very low | 191 Ų | 191 | 143.8 Ų | 143.8 | 72% | 0.721 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | -11 | 173.5 | -75.7 | -164.5 | -170.3 | 82.2 | 5.4 | 114.5 | D544 | D544-R548 IonicContact OD1-CZ 3.24Å; D544-R548 IonicContact OD1-NH1 2.87Å; D544-R548 PolarHBondContact OD1-NH1 3.34Å; D544-R548 IonicContact OD1-NH2 2.93Å; D544-R548 IonicContact OD2-NH1 2.82Å |
| 549 | K | 28.7 | Very low | 25.6 | Very low | 161 Ų | 161 | 147.5 Ų | 147.5 | 70% | 0.7 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -9.9 | 176.4 | -87.6 | 172 | 178.6 | 156.6 | 0 | 114.9 | I547 T553 | I547-K549 VanDerWaalsContact C-N 3.28Å; I547-K549 PolarHBondContact O-N 3.44Å; K549-T553 PolarHBondContact O-OG1 2.89Å |
| 550 | A | 26.2 | Very low | 25.8 | Very low | 78 Ų | 78 | 141.8 Ų | 141.8 | 65% | 0.645 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -101.2 | -4.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 551 | L | 26.3 | Very low | 25.9 | Very low | 149 Ų | 149 | 140.6 Ų | 140.6 | 78% | 0.78 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -126.4 | 11 | -173.6 | -98.4 | 153.9 | 0 | 0 | 0 | 114.5 | ||
| 552 | M | 25.8 | Very low | 26 | Very low | 172 Ų | 172 | 139.2 Ų | 139.2 | 85% | 0.847 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -129.8 | 17.5 | 178 | -81.4 | -69 | 177.9 | 0 | 0 | 113.7 | ||
| 553 | T | 25.4 | Very low | 26 | Very low | 119 Ų | 119 | 143.4 Ų | 143.4 | 73% | 0.73 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -134.6 | 61.3 | -176.7 | 39.8 | 0 | 0 | 0 | 0 | 110.6 | K549 | K549-T553 PolarHBondContact O-OG1 2.89Š|
| 554 | G | 25.1 | Very low | 26 | Very low | 61 Ų | 61 | 144.3 Ų | 144.3 | 63% | 0.629 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -149.3 | -6.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 555 | F | 24.6 | Very low | 26 | Very low | 213 Ų | 213 | 143.2 Ų | 143.2 | 93% | 0.934 | 79% | 0.791 | S | S | * | * | trans | -146.3 | 77.6 | 178.7 | -79.5 | -74.2 | 0 | 0 | 0 | 112.4 | ||||
| 556 | S | 23.9 | Very low | 25.9 | Very low | 111 Ų | 111 | 142.3 Ų | 142.3 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -152.2 | 66 | 171.2 | 58.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 557 | N | 24.1 | Very low | 25.8 | Very low | 161 Ų | 161 | 137 Ų | 137 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | trans | -156 | 88.4 | 155.9 | -105.8 | -19.7 | 0 | 0 | 0 | 110.3 | ||||
| 558 | I | 27.4 | Very low | 25.6 | Very low | 167 Ų | 167 | 135.5 Ų | 135.5 | 86% | 0.856 | 80% | 0.797 | S | S | * | * | trans | 178.6 | 102.1 | 133.4 | -87 | 152.5 | 0 | 0 | 0 | 106 | ||||
| 559 | Q | 25.5 | Very low | 25.4 | Very low | 201 Ų | 201 | 135.7 Ų | 135.7 | 94% | 0.939 | 80% | 0.803 | S | S | * | * | trans | -73.3 | 136.9 | 159.3 | -69.5 | 172.9 | -35.6 | 0 | 0 | 107.6 | ||||
| 560 | G | 28.4 | Very low | 25.1 | Very low | 75 Ų | 75 | 132.4 Ų | 132.4 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | trans | 173.8 | 34.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 561 | G | 26.4 | Very low | 25 | Very low | 70 Ų | 70 | 134.9 Ų | 134.9 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | trans | 57.5 | 110.4 | 146.7 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 562 | S | 25.7 | Very low | 24.9 | Very low | 108 Ų | 108 | 134.2 Ų | 134.2 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | trans | 75.4 | 119.4 | 132.2 | -74.2 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 563 | R | 24.7 | Very low | 24.7 | Very low | 236 Ų | 236 | 133.4 Ų | 133.4 | 89% | 0.891 | 79% | 0.793 | S | S | * | * | trans | 71.5 | 108.5 | 137.8 | -61.3 | 178 | -174.9 | -159.4 | 0.4 | 118.6 | ||||
| 564 | L | 25 | Very low | 24.8 | Very low | 182 Ų | 182 | 131.4 Ų | 131.4 | 95% | 0.953 | 79% | 0.788 | S | S | * | * | trans | -123.6 | 125.4 | 145.2 | -75.7 | 172.7 | 0 | 0 | 0 | 109.5 | ||||
| 565 | A | 24.9 | Very low | 24.8 | Very low | 98 Ų | 98 | 134.9 Ų | 134.9 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | -106.8 | 158.4 | 159.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 566 | A | 23.3 | Very low | 24.9 | Very low | 113 Ų | 113 | 135 Ų | 135 | 93% | 0.934 | 79% | 0.791 | S | S | * | * | trans | -70.6 | 156.8 | -168.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 567 | G | 24.7 | Very low | 24.9 | Very low | 67 Ų | 67 | 138.7 Ų | 138.7 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | trans | 160.9 | 87.1 | 163.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 568 | S | 23.2 | Very low | 25 | Very low | 113 Ų | 113 | 136.8 Ų | 136.8 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | trans | 61.1 | 118 | 134 | -50.3 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 569 | F | 23.4 | Very low | 25 | Very low | 195 Ų | 195 | 140.6 Ų | 140.6 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | trans | 44.9 | 117.7 | 134 | -76.1 | -84.7 | 0 | 0 | 0 | 123.9 | ||||
| 570 | S | 22.3 | Very low | 25 | Very low | 91 Ų | 91 | 138.7 Ų | 138.7 | 64% | 0.636 | 79% | 0.792 | S | S | * | * | 81.2 | 121.1 | 129.3 | -69.8 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 571 | T | 24.1 | Very low | 24.8 | Very low | 131 Ų | 131 | 140 Ų | 140 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | 65.8 | 142.1 | 149.1 | 59.2 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 572 | E | 24.2 | Very low | 24.6 | Very low | 135 Ų | 135 | 141.5 Ų | 141.5 | 63% | 0.631 | 80% | 0.795 | S | S | * | * | cis | -160.4 | 152.2 | -0.8 | -128.1 | -163.4 | 170.5 | 0 | 0 | 109.3 | ||||
| 573 | K | 23.4 | Very low | 24.5 | Very low | 155 Ų | 155 | 142 Ų | 142 | 67% | 0.674 | 79% | 0.793 | S | S | * | * | trans | 56.6 | 145.1 | 151.3 | -69.8 | 169.5 | -168.7 | 146.4 | 0 | 119.7 | ||||
| 574 | A | 26.4 | Very low | 24.6 | Very low | 77 Ų | 77 | 138.1 Ų | 138.1 | 64% | 0.636 | 80% | 0.795 | S | S | * | * | cis | -167.3 | 157.9 | -0.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 575 | T | 24.9 | Very low | 24.6 | Very low | 134 Ų | 134 | 134.6 Ų | 134.6 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | trans | 63.5 | 125.3 | 154.5 | 57.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 576 | R | 27.5 | Very low | 24.5 | Very low | 215 Ų | 215 | 134.2 Ų | 134.2 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | -157.9 | 137.1 | 65.6 | -88.4 | -179.3 | 171.1 | -177.6 | -0.1 | 115.1 | |||||
| 577 | K | 23.8 | Very low | 24.6 | Very low | 188 Ų | 188 | 132.3 Ų | 132.3 | 82% | 0.817 | 76% | 0.757 | S | S | * | * | trans | 56.5 | 96.8 | 139.2 | -60.5 | -178.2 | 177.1 | -174.8 | 0 | 119.9 | ||||
| 578 | S | 26.6 | Very low | 24.6 | Very low | 122 Ų | 122 | 130.8 Ų | 130.8 | 85% | 0.853 | 74% | 0.742 | S | S | * | * | -125.7 | 166.9 | 127.7 | 72.3 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 579 | R | 26.9 | Very low | 24.7 | Very low | 246 Ų | 246 | 131.9 Ų | 131.9 | 93% | 0.928 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 145.1 | -156.1 | -71.7 | 173.7 | 170.9 | 162.7 | -4.6 | 114 | ||
| 580 | L | 24.8 | Very low | 24.8 | Very low | 162 Ų | 162 | 129.4 Ų | 129.4 | 85% | 0.848 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 140.1 | 178.6 | -78.8 | 88.7 | 0 | 0 | 0 | 112.3 | ||
| 581 | A | 23.8 | Very low | 25 | Very low | 102 Ų | 102 | 129 Ų | 129 | 84% | 0.843 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 133.3 | 150.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 582 | S | 23 | Very low | 25.1 | Very low | 101 Ų | 101 | 128.7 Ų | 128.7 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | trans | -145.5 | 152 | 169 | 61.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 583 | V | 24.1 | Very low | 25.1 | Very low | 119 Ų | 119 | 127.3 Ų | 127.3 | 72% | 0.721 | 75% | 0.749 | S | S | * | * | trans | 67.1 | 105.6 | 170.9 | -166.4 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 584 | V | 27.1 | Very low | 25.2 | Very low | 154 Ų | 154 | 123 Ų | 123 | 93% | 0.933 | 75% | 0.749 | S | S | * | * | trans | -122 | 115.8 | 140.3 | 176.3 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 585 | T | 23.7 | Very low | 25.3 | Very low | 108 Ų | 108 | 125.5 Ų | 125.5 | 66% | 0.663 | 76% | 0.756 | S | S | * | * | trans | -132.4 | 118.1 | 175.1 | -53.3 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 586 | S | 24.1 | Very low | 25.4 | Very low | 90 Ų | 90 | 124.9 Ų | 124.9 | 63% | 0.629 | 76% | 0.757 | S | S | * | * | trans | 30.9 | 140.9 | 163.6 | 53.9 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 587 | A | 24.4 | Very low | 25.3 | Very low | 74 Ų | 74 | 118.6 Ų | 118.6 | 61% | 0.612 | 76% | 0.759 | S | S | * | * | trans | -83.1 | 151.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | M1577 | A587-M1577 PolarHBondContact O-N 2.61Š| ||
| 588 | G | 24.9 | Very low | 25.4 | Very low | 35 Ų | 35 | 113.3 Ų | 113.3 | 36% | 0.361 | 76% | 0.758 | S | S | . | * | 131.3 | 110.5 | 116.3 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 589 | I | 25.7 | Very low | 25.5 | Very low | 135 Ų | 135 | 113.2 Ų | 113.2 | 69% | 0.692 | 76% | 0.758 | S | S | * | * | trans | 84 | 119.1 | 133.9 | -53.8 | 161.9 | 0 | 0 | 0 | 119.3 | ||||
| 590 | L | 25.9 | Very low | 25.4 | Very low | 144 Ų | 144 | 110.6 Ų | 110.6 | 75% | 0.754 | 75% | 0.753 | S | S | * | * | 179.3 | 122.9 | 122.4 | -90.2 | 163.7 | 0 | 0 | 0 | 106.1 | V1575 | L590-V1575 HydrophobicContact CD1-CB 4.48Å; L590-V1575 HydrophobicContact CD1-CG2 4.19Å | |||
| 591 | A | 25 | Very low | 25.3 | Very low | 82 Ų | 82 | 108.7 Ų | 108.7 | 68% | 0.678 | 75% | 0.753 | S | S | * | * | cis | 109.8 | 107.1 | 31.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 592 | S | 26.7 | Very low | 25.4 | Very low | 125 Ų | 125 | 107.8 Ų | 107.8 | 87% | 0.874 | 75% | 0.753 | S | S | * | * | trans | 171.3 | 151.8 | 154.7 | 53.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 593 | A | 23.9 | Very low | 25.4 | Very low | 105 Ų | 105 | 111.4 Ų | 111.4 | 87% | 0.868 | 76% | 0.764 | S | S | * | * | cis | -170.5 | 146.6 | -29 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 594 | G | 27 | Very low | 25.3 | Very low | 65 Ų | 65 | 110.1 Ų | 110.1 | 67% | 0.67 | 77% | 0.766 | S | S | * | * | trans | 176.7 | 81 | 179.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 595 | T | 28.5 | Very low | 25.7 | Very low | 130 Ų | 130 | 108.4 Ų | 108.4 | 80% | 0.798 | 76% | 0.758 | S | S | * | * | trans | 44 | 104.4 | 140.4 | 57.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 596 | S | 25.8 | Very low | 25.7 | Very low | 121 Ų | 121 | 111.5 Ų | 111.5 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | 94.4 | 140.1 | 83.2 | 68.4 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 597 | G | 25.9 | Very low | 25.6 | Very low | 82 Ų | 82 | 114.1 Ų | 114.1 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | cis | 172.5 | 166.7 | -3.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 598 | G | 26.6 | Very low | 25.7 | Very low | 77 Ų | 77 | 115.4 Ų | 115.4 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | trans | 163.2 | 99 | 173.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 599 | S | 28.2 | Very low | 25.6 | Very low | 121 Ų | 121 | 119.8 Ų | 119.8 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | trans | 32.5 | 149.4 | 147 | -52.6 | 0 | 0 | 0 | 0 | 123 | ||||
| 600 | K | 23.6 | Very low | 25.5 | Very low | 191 Ų | 191 | 117.9 Ų | 117.9 | 83% | 0.83 | 80% | 0.799 | S | S | * | * | cis | 166.3 | 126.8 | -26.8 | -116.7 | -169.1 | 179.4 | -175.6 | 0 | 107.5 | ||||
| 601 | S | 23.6 | Very low | 25.5 | Very low | 122 Ų | 122 | 116.6 Ų | 116.6 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | trans | 56.5 | 131.7 | 146.9 | 60.6 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 602 | G | 25.2 | Very low | 25.5 | Very low | 82 Ų | 82 | 121 Ų | 121 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | trans | -176.9 | 135.6 | 157.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 603 | L | 22.8 | Very low | 25.6 | Very low | 177 Ų | 177 | 121.9 Ų | 121.9 | 93% | 0.927 | 80% | 0.797 | S | S | * | * | trans | -119.7 | 147.5 | -163.6 | -96.7 | 148.6 | 0 | 0 | 0 | 114.9 | ||||
| 604 | A | 23.2 | Very low | 25.8 | Very low | 93 Ų | 93 | 121.9 Ų | 121.9 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | 78 | 155.6 | 142 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 605 | P | 35.7 | Very low | 25.7 | Very low | 117 Ų | 117 | 127.1 Ų | 127.1 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | trans | -121.2 | -177 | -163.3 | 43.8 | -30.3 | 0 | 0 | 0 | 114.5 | ||||
| 606 | L | 23.1 | Very low | 25.6 | Very low | 173 Ų | 173 | 127 Ų | 127 | 91% | 0.906 | 79% | 0.794 | S | S | * | * | trans | -173.3 | 169.6 | 141.6 | -105 | 162.8 | 0 | 0 | 0 | 114.2 | ||||
| 607 | N | 22.6 | Very low | 25.6 | Very low | 146 Ų | 146 | 127 Ų | 127 | 78% | 0.781 | 79% | 0.794 | S | S | * | * | trans | -106 | 164.5 | -167.8 | -93.5 | -24.4 | 0 | 0 | 0 | 114.9 | ||||
| 608 | S | 24.7 | Very low | 25.5 | Very low | 101 Ų | 101 | 126.5 Ų | 126.5 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | trans | 113.2 | 131.1 | 131 | 72.5 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 609 | T | 23.8 | Very low | 25.4 | Very low | 127 Ų | 127 | 128.3 Ų | 128.3 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | trans | 69 | 148.5 | 147.3 | 50.2 | 0 | 0 | 0 | 0 | 122 | ||||
| 610 | S | 24.5 | Very low | 25.1 | Very low | 94 Ų | 94 | 127.6 Ų | 127.6 | 66% | 0.657 | 78% | 0.784 | S | S | * | * | cis | 179.3 | 160.9 | -26.4 | 51.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 611 | V | 24.3 | Very low | 25 | Very low | 118 Ų | 118 | 126.6 Ų | 126.6 | 72% | 0.715 | 79% | 0.787 | S | S | * | * | trans | 78.7 | 115.6 | 156.2 | -163.8 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 612 | H | 25.9 | Very low | 25 | Very low | 174 Ų | 174 | 126.7 Ų | 126.7 | 81% | 0.806 | 78% | 0.783 | S | S | * | * | -173.4 | 147.2 | 102.2 | -122 | -70.6 | 0 | 0 | 0 | 114.9 | |||||
| 613 | I | 27.8 | Very low | 25 | Very low | 144 Ų | 144 | 127.8 Ų | 127.8 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | trans | -126.9 | 158.7 | 167.7 | -40.4 | 169.9 | 0 | 0 | 0 | 106.8 | ||||
| 614 | P | 29.4 | Very low | 25.1 | Very low | 105 Ų | 105 | 127 Ų | 127 | 68% | 0.682 | 77% | 0.77 | S | S | * | * | -154.8 | 141 | 110 | 31.6 | -10.4 | 0 | 0 | 0 | 119 | |||||
| 615 | H | 25.5 | Very low | 25.1 | Very low | 174 Ų | 174 | 131.4 Ų | 131.4 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | trans | 52.5 | 156.1 | 137 | -49.4 | -54.9 | 0 | 0 | 0 | 122.3 | ||||
| 616 | T | 26 | Very low | 24.6 | Very low | 129 Ų | 129 | 133.7 Ų | 133.7 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | cis | -151.9 | 161.2 | 35.1 | 47.7 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 617 | S | 24.3 | Very low | 24.6 | Very low | 119 Ų | 119 | 132.6 Ų | 132.6 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | trans | -35.4 | 163.3 | 165 | 49.8 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 618 | G | 24.2 | Very low | 24.7 | Very low | 72 Ų | 72 | 130.3 Ų | 130.3 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | cis | 177.2 | -163.9 | 9.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 619 | S | 24 | Very low | 24.7 | Very low | 115 Ų | 115 | 129.8 Ų | 129.8 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | cis | -174.1 | 148.7 | -8.7 | 49.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 620 | S | 22 | Very low | 24.6 | Very low | 106 Ų | 106 | 132 Ų | 132 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | trans | 54.3 | 118.7 | 162.3 | 69 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 621 | L | 23.3 | Very low | 24.7 | Very low | 170 Ų | 170 | 133.7 Ų | 133.7 | 89% | 0.89 | 79% | 0.785 | S | S | * | * | -174.3 | 146.3 | 115.9 | -98.3 | 163.9 | 0 | 0 | 0 | 111.5 | |||||
| 622 | T | 23.2 | Very low | 24.7 | Very low | 125 Ų | 125 | 135.9 Ų | 135.9 | 77% | 0.767 | 79% | 0.792 | S | S | * | * | trans | -96.8 | 170.7 | 179.9 | 53.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 623 | P | 25.8 | Very low | 24.6 | Very low | 104 Ų | 104 | 132.6 Ų | 132.6 | 68% | 0.675 | 80% | 0.795 | S | S | * | * | cis | -148.6 | -177.3 | 22 | 46.7 | -26.9 | 0 | 0 | 0 | 118.5 | ||||
| 624 | I | 23.2 | Very low | 24.4 | Very low | 160 Ų | 160 | 135.7 Ų | 135.7 | 82% | 0.821 | 80% | 0.804 | S | S | * | * | trans | 64.6 | 96.4 | 165.7 | -50.5 | 162.3 | 0 | 0 | 0 | 116.3 | ||||
| 625 | E | 24 | Very low | 24.1 | Very low | 187 Ų | 187 | 138.9 Ų | 138.9 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | trans | -156.4 | 170.5 | 145.4 | -129.5 | 168.3 | -143.2 | 0 | 0 | 113.9 | N627 | E625-N627 PolarHBondContact O-N 3.17Š| ||
| 626 | I | 24.8 | Very low | 23.9 | Very low | 164 Ų | 164 | 139.1 Ų | 139.1 | 84% | 0.841 | 81% | 0.811 | S | S | * | * | trans | -73.8 | 121.4 | -164.2 | -66.4 | 160.1 | 0 | 0 | 0 | 110.9 | A628 | I626-A628 PolarHBondContact O-N 3.04Š| ||
| 627 | N | 24.7 | Very low | 23.9 | Very low | 150 Ų | 150 | 138.4 Ų | 138.4 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | trans | -78.4 | 86.3 | -172.1 | -132.9 | -14.2 | 0 | 0 | 0 | 112.2 | E625 S629 | E625-N627 PolarHBondContact O-N 3.17Å; N627-S629 PolarHBondContact OD1-OG 3.42Å | ||
| 628 | A | 23.3 | Very low | 23.8 | Very low | 98 Ų | 98 | 142 Ų | 142 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | trans | -101.9 | 102.3 | 155.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | I626 | I626-A628 PolarHBondContact O-N 3.04Š| ||
| 629 | S | 24.3 | Very low | 23.8 | Very low | 91 Ų | 91 | 145 Ų | 145 | 64% | 0.636 | 82% | 0.819 | S | S | * | * | trans | -138.8 | 97 | 178.2 | 40.9 | 0 | 0 | 0 | 0 | 111.3 | N627 | N627-S629 PolarHBondContact OD1-OG 3.42Š| ||
| 630 | L | 23.4 | Very low | 23.8 | Very low | 174 Ų | 174 | 144.9 Ų | 144.9 | 91% | 0.911 | 82% | 0.815 | S | S | * | * | trans | -145.8 | 77.1 | 166.3 | -104.8 | 179 | 0 | 0 | 0 | 110.4 | ||||
| 631 | T | 24.8 | Very low | 23.8 | Very low | 129 Ų | 129 | 145.4 Ų | 145.4 | 79% | 0.791 | 82% | 0.819 | S | S | * | * | trans | -143.1 | 85.2 | 164.3 | 35.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 632 | N | 24.2 | Very low | 23.8 | Very low | 164 Ų | 164 | 145 Ų | 145 | 88% | 0.877 | 82% | 0.817 | S | S | * | * | trans | -179 | 88.9 | 136.6 | -92.5 | -24.4 | 0 | 0 | 0 | 111.6 | ||||
| 633 | A | 23.7 | Very low | 23.8 | Very low | 104 Ų | 104 | 148.4 Ų | 148.4 | 86% | 0.86 | 82% | 0.824 | S | S | * | * | trans | -150.8 | 54.3 | 161.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 634 | F | 23.6 | Very low | 23.6 | Very low | 210 Ų | 210 | 148 Ų | 148 | 92% | 0.921 | 83% | 0.83 | S | S | * | * | trans | -101.6 | 94.4 | 175 | -112.4 | -76.9 | 0 | 0 | 0 | 110.1 | ||||
| 635 | Q | 23.6 | Very low | 23.6 | Very low | 172 Ų | 172 | 144.9 Ų | 144.9 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | trans | -169.1 | 136.5 | 136.1 | -110.4 | 176.9 | 2.7 | 0 | 0 | 113.2 | ||||
| 636 | Q | 22.5 | Very low | 23.5 | Very low | 178 Ų | 178 | 144.1 Ų | 144.1 | 83% | 0.832 | 82% | 0.816 | S | S | * | * | trans | 65 | 87.9 | 156.9 | -57.6 | -176.4 | 12.5 | 0 | 0 | 119 | ||||
| 637 | S | 24.3 | Very low | 23.4 | Very low | 115 Ų | 115 | 144.8 Ų | 144.8 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -135.7 | 123.7 | 137.3 | 63.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 638 | Q | 22.9 | Very low | 23.3 | Very low | 194 Ų | 194 | 144.3 Ų | 144.3 | 91% | 0.907 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 134.5 | -177.8 | -66.2 | 170.2 | -8.7 | 0 | 0 | 111 | P640 | Q638-P640 WeakPolarHBondContact O-CD 3.42Š|
| 639 | T | 25.2 | Very low | 23.3 | Very low | 134 Ų | 134 | 145.4 Ų | 145.4 | 82% | 0.822 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 117.1 | 173.7 | 40.8 | 0 | 0 | 0 | 0 | 110.7 | S641 | T639-S641 PolarHBondContact O-N 3.43Š|
| 640 | P | 22.3 | Very low | 23.2 | Very low | 113 Ų | 113 | 147.7 Ų | 147.7 | 73% | 0.734 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 123.7 | 160.7 | 30.2 | -30.7 | 0 | 0 | 0 | 108.6 | Q638 L642 | Q638-P640 WeakPolarHBondContact O-CD 3.42Å; P640-L642 PolarHBondContact O-N 2.93Å; P640-L642 VanDerWaalsContact O-N 3.09Å |
| 641 | S | 23.1 | Very low | 23.2 | Very low | 117 Ų | 117 | 144.6 Ų | 144.6 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -68.4 | 103.2 | 177.6 | 54.1 | 0 | 0 | 0 | 0 | 111.4 | T639 | T639-S641 PolarHBondContact O-N 3.43Š| ||
| 642 | L | 22.1 | Very low | 23.2 | Very low | 162 Ų | 162 | 143.1 Ų | 143.1 | 85% | 0.848 | 81% | 0.814 | S | S | * | * | trans | -127.8 | 92.9 | 164.7 | -81.5 | 171.4 | 0 | 0 | 0 | 109.7 | P640 A644 | P640-L642 PolarHBondContact O-N 2.93Å; P640-L642 VanDerWaalsContact O-N 3.09Å; L642-A644 PolarHBondContact O-N 2.96Å | ||
| 643 | Q | 23.1 | Very low | 23.2 | Very low | 196 Ų | 196 | 141.8 Ų | 141.8 | 92% | 0.916 | 81% | 0.812 | S | S | * | * | trans | -65.9 | 101.1 | 164 | -74.7 | 177 | -38.1 | 0 | 0 | 108.7 | S645 | Q643-S645 PolarHBondContact O-N 3.33Š| ||
| 644 | A | 22 | Very low | 23.4 | Very low | 96 Ų | 96 | 142.6 Ų | 142.6 | 79% | 0.793 | 81% | 0.811 | S | S | * | * | trans | -76.4 | 98.2 | 162.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | L642 F646 | L642-A644 PolarHBondContact O-N 2.96Å; A644-F646 PolarHBondContact O-N 3.5Å | ||
| 645 | S | 22.9 | Very low | 23.3 | Very low | 95 Ų | 95 | 136.2 Ų | 136.2 | 66% | 0.664 | 81% | 0.805 | S | S | * | * | trans | -68.6 | 119.7 | -178.9 | 48.2 | 0 | 0 | 0 | 0 | 111.8 | Q643 Q647 | Q643-S645 PolarHBondContact O-N 3.33Å; S645-Q647 PolarHBondContact O-N 2.88Å | ||
| 646 | F | 23.1 | Very low | 23.4 | Very low | 171 Ų | 171 | 137.8 Ų | 137.8 | 75% | 0.75 | 81% | 0.812 | S | S | * | * | trans | -62.3 | 98.9 | 159 | -87.2 | -89.6 | 0 | 0 | 0 | 109 | A644 L648 | A644-F646 PolarHBondContact O-N 3.5Å; F646-L648 VanDerWaalsContact C-N 3.35Å; F646-L648 PolarHBondContact O-N 3.3Å; F646-L648 VanDerWaalsContact O-N 3.11Å | ||
| 647 | Q | 21.9 | Very low | 23.4 | Very low | 177 Ų | 177 | 135 Ų | 135 | 83% | 0.827 | 81% | 0.812 | S | S | * | * | trans | -78.6 | 88.7 | 165.6 | -75.9 | -167.1 | -19.9 | 0 | 0 | 109.2 | S645 S649 | S645-Q647 PolarHBondContact O-N 2.88Å; Q647-S649 PolarHBondContact O-N 3.41Å | ||
| 648 | L | 23.8 | Very low | 23.4 | Very low | 140 Ų | 140 | 135.8 Ų | 135.8 | 73% | 0.733 | 81% | 0.812 | S | S | * | * | trans | -58.7 | 131.3 | 149.5 | -110.3 | 76.9 | 0 | 0 | 0 | 107.7 | F646 N650 | F646-L648 VanDerWaalsContact C-N 3.35Å; F646-L648 PolarHBondContact O-N 3.3Å; F646-L648 VanDerWaalsContact O-N 3.11Å; L648-N650 VanDerWaalsContact C-N 3.32Å; L648-N650 PolarHBondContact O-N 2.58Å | ||
| 649 | S | 21.7 | Very low | 23.3 | Very low | 122 Ų | 122 | 134.2 Ų | 134.2 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | trans | -70.7 | 85 | 177.2 | 53.8 | 0 | 0 | 0 | 0 | 110.8 | Q647 A651 | Q647-S649 PolarHBondContact O-N 3.41Å; S649-A651 PolarHBondContact O-N 2.82Å | ||
| 650 | N | 23.9 | Very low | 23.3 | Very low | 138 Ų | 138 | 136.8 Ų | 136.8 | 74% | 0.738 | 81% | 0.812 | S | S | * | * | trans | -69.7 | 109.9 | 170.2 | -86.7 | -11.5 | 0 | 0 | 0 | 110.4 | L648 S652 | L648-N650 VanDerWaalsContact C-N 3.32Å; L648-N650 PolarHBondContact O-N 2.58Å; N650-S652 PolarHBondContact O-N 3.44Å | ||
| 651 | A | 21.7 | Very low | 23.3 | Very low | 109 Ų | 109 | 140.9 Ų | 140.9 | 90% | 0.901 | 82% | 0.819 | S | S | * | * | trans | -77.1 | 94.6 | 156.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | S649 | S649-A651 PolarHBondContact O-N 2.82Š| ||
| 652 | S | 25.3 | Very low | 23.2 | Very low | 99 Ų | 99 | 144.1 Ų | 144.1 | 69% | 0.692 | 83% | 0.826 | S | S | * | * | trans | -141.7 | 110.5 | 171 | 59.6 | 0 | 0 | 0 | 0 | 111.2 | N650 | N650-S652 PolarHBondContact O-N 3.44Š| ||
| 653 | T | 24.7 | Very low | 23.2 | Very low | 136 Ų | 136 | 139.3 Ų | 139.3 | 83% | 0.834 | 82% | 0.815 | S | S | * | * | trans | -105.2 | 141.4 | 168.1 | -26.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 654 | S | 26.6 | Very low | 23.1 | Very low | 121 Ų | 121 | 138.3 Ų | 138.3 | 85% | 0.846 | 82% | 0.816 | S | S | * | * | trans | 55.4 | 107.7 | 175.3 | 53.6 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 655 | G | 22.8 | Very low | 23 | Very low | 76 Ų | 76 | 141.1 Ų | 141.1 | 78% | 0.784 | 82% | 0.816 | S | S | * | * | trans | -93.2 | 166.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 656 | Q | 24.9 | Very low | 23.1 | Very low | 205 Ų | 205 | 141.1 Ų | 141.1 | 96% | 0.958 | 81% | 0.814 | S | S | * | * | trans | -138.4 | 144.8 | 146.7 | -91.8 | -173.1 | -4.7 | 0 | 0 | 108.7 | ||||
| 657 | S | 22 | Very low | 23.3 | Very low | 120 Ų | 120 | 138.6 Ų | 138.6 | 84% | 0.839 | 82% | 0.815 | S | S | * | * | trans | -92.1 | 130 | -171.4 | 54.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 658 | V | 24.7 | Very low | 23.4 | Very low | 131 Ų | 131 | 135.6 Ų | 135.6 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | trans | -137.9 | 124.6 | 156.1 | -179.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 659 | N | 22.3 | Very low | 23.5 | Very low | 161 Ų | 161 | 134.2 Ų | 134.2 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | trans | -68.9 | 129.3 | 167.9 | -76.5 | -48.5 | 0 | 0 | 0 | 109.9 | ||||
| 660 | Q | 24.4 | Very low | 24.2 | Very low | 187 Ų | 187 | 131.1 Ų | 131.1 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | trans | -153.5 | 157.1 | 153.3 | -115.6 | 164.7 | 47.2 | 0 | 0 | 113.1 | ||||
| 661 | K | 22.7 | Very low | 24.6 | Very low | 200 Ų | 200 | 129.5 Ų | 129.5 | 87% | 0.87 | 77% | 0.765 | S | S | * | * | trans | -75.5 | 155.6 | -161 | -69.9 | 171.2 | 172.5 | 175.5 | 0 | 113.6 | G663 | K661-G663 PolarHBondContact O-N 3Š| ||
| 662 | L | 20.5 | Very low | 25.7 | Very low | 184 Ų | 184 | 129.4 Ų | 129.4 | 96% | 0.963 | 75% | 0.753 | S | S | * | * | trans | -47 | 129.4 | 155.5 | -102.1 | 66.6 | 0 | 0 | 0 | 110.5 | ||||
| 663 | G | 21.1 | Very low | 27.4 | Very low | 61 Ų | 61 | 127.2 Ų | 127.2 | 63% | 0.629 | 73% | 0.734 | S | S | * | * | trans | -153.6 | 126.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | K661 I665 | K661-G663 PolarHBondContact O-N 3Å; G663-I665 PolarHBondContact O-N 2.8Å | ||
| 664 | N | 21.6 | Very low | 29.3 | Very low | 175 Ų | 175 | 124.1 Ų | 124.1 | 94% | 0.936 | 71% | 0.707 | S | S | * | * | trans | -65.9 | 127.6 | -176.5 | -68.3 | -21.1 | 0 | 0 | 0 | 111.3 | ||||
| 665 | I | 20.7 | Very low | 31.5 | Very low | 155 Ų | 155 | 123.9 Ų | 123.9 | 80% | 0.795 | 70% | 0.696 | S | S | * | * | trans | -133.4 | 118.1 | 167 | -55.1 | 177.9 | 0 | 0 | 0 | 107.6 | G663 | G663-I665 PolarHBondContact O-N 2.8Š| ||
| 666 | P | 23.7 | Very low | 34.1 | Very low | 95 Ų | 95 | 125.2 Ų | 125.2 | 62% | 0.617 | 69% | 0.685 | S | S | * | * | trans | -77.1 | 154.8 | 175.3 | 32.3 | -33.7 | 0 | 0 | 0 | 111.3 | I668 | P666-I668 PolarHBondContact O-N 3.38Š| ||
| 667 | P | 27.5 | Very low | 36.6 | Very low | 118 Ų | 118 | 117.3 Ų | 117.3 | 77% | 0.766 | 65% | 0.648 | S | S | * | * | trans | -76.9 | 113.2 | -166.1 | 29.5 | -34.9 | 0 | 0 | 0 | 113.2 | ||||
| 668 | I | 24.4 | Very low | 39.6 | Very low | 114 Ų | 114 | 112.8 Ų | 112.8 | 59% | 0.585 | 62% | 0.615 | S | S | * | * | trans | -104.6 | 96.1 | 167.9 | -64 | 174.1 | 0 | 0 | 0 | 107.4 | P666 | P666-I668 PolarHBondContact O-N 3.38Š| ||
| 669 | L | 26.8 | Very low | 42.4 | Very low | 111 Ų | 111 | 112.8 Ų | 112.8 | 58% | 0.581 | 61% | 0.606 | S | S | * | * | trans | 177.7 | 83.8 | 171 | -102.4 | 160.3 | 0 | 0 | 0 | 110.6 | V672 N673 | L669-V672 HydrophobicContact CD2-CB 3.72Å; L669-V672 HydrophobicContact CD2-CG1 4.19Å; L669-V672 HydrophobicContact CD2-CG2 4.06Å; L669-N673 WeakPolarHBondContact O-CB 3.37Å; L669-N673 PolarHBondContact O-ND2 3.2Å | ||
| 670 | S | 36.1 | Very low | 45.5 | Very low | 57 Ų | 57 | 110 Ų | 110 | 40% | 0.399 | 59% | 0.588 | S | S | . | * | S | Bend | trans | -110.7 | -33.3 | -176.3 | 54.9 | 0 | 0 | 0 | 0 | 116.7 | P531 | P531-S670 WeakPolarHBondContact CB-OG 3.47Š|
| 671 | L | 32.5 | Very low | 48.5 | Very low | 104 Ų | 104 | 101.2 Ų | 101.2 | 55% | 0.545 | 55% | 0.547 | S | S | . | . | S | Bend | trans | -94.7 | -24.6 | 178.4 | -119.6 | 83.8 | 0 | 0 | 0 | 116 | P531 N673 | P531-L671 HydrophobicContact CB-CB 4Å; P531-L671 HydrophobicContact CB-CD1 3.95Å; P531-L671 HydrophobicContact CG-CB 3.85Å; P531-L671 HydrophobicContact CG-CD1 4.43Å; L671-N673 PolarHBondContact O-N 3.39Å |
| 672 | V | 44.8 | Very low | 51.7 | Low | 107 Ų | 107 | 94.9 Ų | 94.9 | 65% | 0.648 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -66.4 | -16.4 | 165.9 | 179.8 | 0 | 0 | 0 | 0 | 110.6 | L669 | L669-V672 HydrophobicContact CD2-CB 3.72Å; L669-V672 HydrophobicContact CD2-CG1 4.19Å; L669-V672 HydrophobicContact CD2-CG2 4.06Å |
| 673 | N | 59.8 | Low | 55 | Low | 53 Ų | 53 | 89 Ų | 89 | 28% | 0.283 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -90.1 | -21.2 | -170.2 | -131.2 | -21.6 | 0 | 0 | 0 | 114.5 | L669 L671 N675 L676 Q677 | L669-N673 WeakPolarHBondContact O-CB 3.37Å; L669-N673 PolarHBondContact O-ND2 3.2Å; L671-N673 PolarHBondContact O-N 3.39Å; N673-N675 PolarHBondContact O-N 2.95Å; N673-L676 PolarHBondContact O-N 3.05Å; N673-Q677 WeakPolarHBondContact O-CB 3.37Å; N673-Q677 VanDerWaalsContact O-CG 3.32Å; N673-Q677 WeakPolarHBondContact O-CG 3.31Å; N673-Q677 PolarHBondContact O-N 3.04Å |
| 674 | R | 65.3 | Low | 58.2 | Low | 71 Ų | 71 | 86.8 Ų | 86.8 | 27% | 0.268 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -58.2 | -47.1 | -175.3 | -177.1 | -179.3 | 173 | -162.6 | -4 | 112.1 | Q677 V678 E837 | R674-Q677 PolarHBondContact O-N 3.45Å; R674-V678 WeakPolarHBondContact O-CG2 3.09Å; R674-V678 PolarHBondContact O-N 3.33Å; R674-E837 IonicContact CZ-OE1 2.78Å; R674-E837 IonicContact CZ-OE2 2.93Å; R674-E837 IonicContact NE-OE2 3.78Å; R674-E837 IonicContact NH2-OE1 3.86Å; R674-E837 PolarHBondContact NH2-OE1 3.14Å; R674-E837 IonicContact NH2-OE2 3.12Å; R674-E837 PolarHBondContact NH2-OE2 2.93Å |
| 675 | N | 73.3 | Confident | 61.5 | Low | 116 Ų | 116 | 78.4 Ų | 78.4 | 62% | 0.62 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -66 | -43.8 | 179.5 | -69 | 1.9 | 0 | 0 | 0 | 111.2 | N673 Q677 V678 E679 | N673-N675 PolarHBondContact O-N 2.95Å; N675-Q677 VanDerWaalsContact C-N 3.31Å; N675-Q677 PolarHBondContact O-N 2.89Å; N675-V678 PolarHBondContact O-N 3.06Å; N675-E679 WeakPolarHBondContact O-CB 3.26Å; N675-E679 WeakPolarHBondContact O-CG 3.45Å; N675-E679 PolarHBondContact O-N 3.44Å |
| 676 | L | 76.8 | Confident | 64.8 | Low | 105 Ų | 105 | 73 Ų | 73 | 55% | 0.55 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -58.6 | -40.5 | 173.9 | -97.9 | 86.1 | 0 | 0 | 0 | 112.5 | N673 E679 H680 | N673-L676 PolarHBondContact O-N 3.05Å; L676-E679 PolarHBondContact O-N 3.34Å; L676-H680 WeakPolarHBondContact O-CB 3Å; L676-H680 PolarHBondContact O-N 3.01Å |
| 677 | Q | 78.6 | Confident | 67.7 | Low | 39 Ų | 39 | 72.3 Ų | 72.3 | 18% | 0.182 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -70.8 | -35.2 | 178.3 | -71.7 | 174 | -18.4 | 0 | 0 | 112.2 | V512 N673 R674 N675 L681 | V512-Q677 HydrophobicContact CG1-CB 3.78Å; V512-Q677 HydrophobicContact CG2-CB 4.29Å; N673-Q677 WeakPolarHBondContact O-CB 3.37Å; N673-Q677 VanDerWaalsContact O-CG 3.32Å; N673-Q677 WeakPolarHBondContact O-CG 3.31Å; N673-Q677 PolarHBondContact O-N 3.04Å; R674-Q677 PolarHBondContact O-N 3.45Å; N675-Q677 VanDerWaalsContact C-N 3.31Å; N675-Q677 PolarHBondContact O-N 2.89Å; Q677-L681 WeakPolarHBondContact O-CB 3.45Å; Q677-L681 PolarHBondContact O-N 2.98Å |
| 678 | V | 84.8 | Confident | 70.5 | Confident | 24 Ų | 24 | 67.1 Ų | 67.1 | 15% | 0.145 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -68 | -42.8 | 171.9 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | V512 R674 N675 H680 L681 H682 E837 F838 | V512-V678 HydrophobicContact CG1-CG2 3.61Å; R674-V678 WeakPolarHBondContact O-CG2 3.09Å; R674-V678 PolarHBondContact O-N 3.33Å; N675-V678 PolarHBondContact O-N 3.06Å; V678-H680 VanDerWaalsContact C-N 3.35Å; V678-L681 PolarHBondContact O-N 2.79Å; V678-H682 WeakPolarHBondContact O-CB 3.25Å; V678-H682 PolarHBondContact O-N 3.39Å; V678-E837 HydrophobicContact CG1-CB 4.39Å; V678-F838 HydrophobicContact CG1-CB 4.3Å |
| 679 | E | 83.7 | Confident | 73.5 | Confident | 132 Ų | 132 | 61.8 Ų | 61.8 | 62% | 0.617 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -63.4 | -39.9 | 174.1 | -74 | 175.4 | -175.7 | 0 | 0 | 111.8 | N675 L676 H682 S683 | N675-E679 WeakPolarHBondContact O-CB 3.26Å; N675-E679 WeakPolarHBondContact O-CG 3.45Å; N675-E679 PolarHBondContact O-N 3.44Å; L676-E679 PolarHBondContact O-N 3.34Å; E679-H682 PolarHBondContact O-N 3.06Å; E679-S683 PolarHBondContact O-N 3.22Å |
| 680 | H | 85.6 | Confident | 75.9 | Confident | 103 Ų | 103 | 57.9 Ų | 57.9 | 48% | 0.477 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.8 | -49.5 | 173.7 | -175.6 | 66 | 0 | 0 | 0 | 111.4 | L676 V678 H682 S683 L684 | L676-H680 WeakPolarHBondContact O-CB 3Å; L676-H680 PolarHBondContact O-N 3.01Å; V678-H680 VanDerWaalsContact C-N 3.35Å; H680-H682 VanDerWaalsContact C-N 3.28Å; H680-H682 PolarHBondContact O-N 2.94Å; H680-S683 WeakPolarHBondContact O-CB 3.07Å; H680-S683 PolarHBondContact O-N 3.2Å; H680-L684 WeakPolarHBondContact O-CG 3.36Å; H680-L684 PolarHBondContact O-N 2.92Å |
| 681 | L | 87.5 | Confident | 77 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -56.8 | -40.7 | 172.5 | -87.6 | 172.9 | 0 | 0 | 0 | 112.3 | L504 I508 V512 Q677 V678 L684 A685 F838 | L504-L681 HydrophobicContact CB-CD2 4.31Å; L504-L681 HydrophobicContact CD2-CD2 3.91Å; I508-L681 HydrophobicContact CD1-CD2 3.59Å; I508-L681 HydrophobicContact CD1-CG 4.02Å; I508-L681 HydrophobicContact CG2-CD1 4.01Å; I508-L681 HydrophobicContact CG2-CD2 4.46Å; I508-L681 HydrophobicContact CG2-CG 4.28Å; V512-L681 HydrophobicContact CB-CD1 4.29Å; V512-L681 HydrophobicContact CG1-CD1 3.68Å; Q677-L681 WeakPolarHBondContact O-CB 3.45Å; Q677-L681 PolarHBondContact O-N 2.98Å; V678-L681 PolarHBondContact O-N 2.79Å; L681-L684 PolarHBondContact O-N 3.13Å; L681-A685 VanDerWaalsContact O-CB 3.24Å; L681-A685 WeakPolarHBondContact O-CB 3.43Å; L681-A685 PolarHBondContact O-N 3.07Å; L681-F838 HydrophobicContact CB-CB 3.63Å; L681-F838 HydrophobicContact CB-CD2 4.19Å; L681-F838 HydrophobicContact CB-CG 3.96Å; L681-F838 HydrophobicContact CD1-CB 4.28Å; L681-F838 HydrophobicContact CD1-CD1 4.22Å; L681-F838 HydrophobicContact CD1-CG 4.25Å |
| 682 | H | 91 | Very high | 78.2 | Confident | 66 Ų | 66 | 55.7 Ų | 55.7 | 31% | 0.306 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.4 | -41.5 | 177.8 | -175 | 67.2 | 0 | 0 | 0 | 111.6 | V678 E679 H680 A685 T686 F838 L843 | V678-H682 WeakPolarHBondContact O-CB 3.25Å; V678-H682 PolarHBondContact O-N 3.39Å; E679-H682 PolarHBondContact O-N 3.06Å; H680-H682 VanDerWaalsContact C-N 3.28Å; H680-H682 PolarHBondContact O-N 2.94Å; H682-A685 PolarHBondContact O-N 2.91Å; H682-T686 WeakPolarHBondContact O-CB 3.41Å; H682-T686 PolarHBondContact O-N 3.25Å; H682-T686 PolarHBondContact O-OG1 3.4Å; H682-F838 PolarHBondContact ND1-O 2.88Å; H682-L843 VanDerWaalsContact CE1-CD1 3.42Å; H682-L843 WeakPolarHBondContact CE1-CD1 3.48Å |
| 683 | S | 89.5 | Confident | 79 | Confident | 60 Ų | 60 | 52.1 Ų | 52.1 | 42% | 0.42 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.2 | -47.8 | 172.8 | -177.4 | 0 | 0 | 0 | 0 | 111.6 | E679 H680 A685 T686 N687 | E679-S683 PolarHBondContact O-N 3.22Å; H680-S683 WeakPolarHBondContact O-CB 3.07Å; H680-S683 PolarHBondContact O-N 3.2Å; S683-A685 PolarHBondContact O-N 2.98Å; S683-T686 WeakPolarHBondContact O-CB 3.29Å; S683-T686 PolarHBondContact O-N 3.33Å; S683-N687 VanDerWaalsContact O-CG 3.22Å; S683-N687 PolarHBondContact O-N 2.9Å; S683-N687 PolarHBondContact O-ND2 3.07Å |
| 684 | L | 88.8 | Confident | 79.2 | Confident | 15 Ų | 15 | 54.6 Ų | 54.6 | 8% | 0.079 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.7 | -43.9 | 176.8 | -66.1 | -172.7 | 0 | 0 | 0 | 112.2 | P502 L504 H680 L681 T686 N687 W688 | P502-L684 HydrophobicContact CB-CD1 4.41Å; P502-L684 HydrophobicContact CB-CD2 3.69Å; P502-L684 HydrophobicContact CG-CD2 3.88Å; L504-L684 HydrophobicContact CD2-CB 3.42Å; L504-L684 VanDerWaalsContact CD2-CB 3.42Å; L504-L684 HydrophobicContact CD2-CD1 4.19Å; L504-L684 HydrophobicContact CD2-CG 4.48Å; H680-L684 WeakPolarHBondContact O-CG 3.36Å; H680-L684 PolarHBondContact O-N 2.92Å; L681-L684 PolarHBondContact O-N 3.13Å; L684-T686 VanDerWaalsContact C-N 3.34Å; L684-T686 PolarHBondContact O-N 3.45Å; L684-N687 WeakPolarHBondContact O-CB 3.43Å; L684-N687 PolarHBondContact O-N 3.43Å; L684-W688 PolarHBondContact O-N 3.29Å |
| 685 | A | 90.6 | Very high | 79.7 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.2 | -37.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | L681 H682 S683 N687 W688 L689 F800 F838 L839 L843 | L681-A685 VanDerWaalsContact O-CB 3.24Å; L681-A685 WeakPolarHBondContact O-CB 3.43Å; L681-A685 PolarHBondContact O-N 3.07Å; H682-A685 PolarHBondContact O-N 2.91Å; S683-A685 PolarHBondContact O-N 2.98Å; A685-N687 VanDerWaalsContact C-N 3.33Å; A685-W688 PolarHBondContact O-N 3.32Å; A685-L689 WeakPolarHBondContact O-CG 3.48Å; A685-L689 PolarHBondContact O-N 3.44Å; A685-L689 VanDerWaalsContact O-N 3.16Å; A685-F800 HydrophobicContact CB-CE2 3.83Å; A685-F800 HydrophobicContact CB-CZ 3.78Å; A685-F838 HydrophobicContact CB-CD2 3.97Å; A685-F838 HydrophobicContact CB-CE2 4.13Å; A685-L839 HydrophobicContact CB-CD2 3.92Å; A685-L843 HydrophobicContact CB-CD1 4.45Å |
| 686 | T | 89.2 | Confident | 79.8 | Confident | 42 Ų | 42 | 48.3 Ų | 48.3 | 26% | 0.258 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.9 | -41.3 | 171.8 | -58.4 | 0 | 0 | 0 | 0 | 111.1 | H682 S683 L684 L689 S690 L843 | H682-T686 WeakPolarHBondContact O-CB 3.41Å; H682-T686 PolarHBondContact O-N 3.25Å; H682-T686 PolarHBondContact O-OG1 3.4Å; S683-T686 WeakPolarHBondContact O-CB 3.29Å; S683-T686 PolarHBondContact O-N 3.33Å; L684-T686 VanDerWaalsContact C-N 3.34Å; L684-T686 PolarHBondContact O-N 3.45Å; T686-L689 CarbonylContact O-C 3.15Å; T686-L689 PolarHBondContact O-N 3.21Å; T686-S690 PolarHBondContact O-N 3.11Å; T686-S690 VanDerWaalsContact O-N 3.09Å; T686-L843 HydrophobicContact CG2-CD2 4.41Å |
| 687 | N | 85.8 | Confident | 79.9 | Confident | 79 Ų | 79 | 43.6 Ų | 43.6 | 42% | 0.422 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -65.8 | -41.1 | 177.2 | -67.9 | -24.5 | 0 | 0 | 0 | 112.1 | S683 L684 A685 L689 S690 S693 | S683-N687 VanDerWaalsContact O-CG 3.22Å; S683-N687 PolarHBondContact O-N 2.9Å; S683-N687 PolarHBondContact O-ND2 3.07Å; L684-N687 WeakPolarHBondContact O-CB 3.43Å; L684-N687 PolarHBondContact O-N 3.43Å; A685-N687 VanDerWaalsContact C-N 3.33Å; N687-L689 VanDerWaalsContact C-N 3.31Å; N687-L689 PolarHBondContact O-N 3.27Å; N687-S690 WeakPolarHBondContact O-CB 3.36Å; N687-S690 PolarHBondContact O-N 3.18Å; N687-S690 PolarHBondContact O-OG 3.25Å; N687-S693 WeakPolarHBondContact O-CA 3.49Å; N687-S693 WeakPolarHBondContact O-CB 3.16Å |
| 688 | W | 86.7 | Confident | 79.7 | Confident | 9 Ų | 9 | 41.8 Ų | 41.8 | 3% | 0.034 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.3 | -39.5 | 174.5 | -83.9 | 47.3 | 0 | 0 | 0 | 112.5 | I500 P502 L504 L684 A685 S690 S693 I695 Y761 F800 Y801 | I500-W688 HydrophobicContact CG2-CH2 3.92Å; I500-W688 HydrophobicContact CG2-CZ2 3.53Å; P502-W688 WeakPolarHBondContact O-CZ2 3.23Å; P502-W688 PolarHBondContact O-NE1 3.4Å; L504-W688 HydrophobicContact CD1-CD2 3.73Å; L504-W688 HydrophobicContact CD1-CE3 3.97Å; L504-W688 HydrophobicContact CD1-CG 4.24Å; L504-W688 HydrophobicContact CD1-CH2 4.17Å; L504-W688 HydrophobicContact CD1-CZ2 3.91Å; L504-W688 HydrophobicContact CD1-CZ3 4.19Å; L504-W688 HydrophobicContact CG-CD2 4.42Å; L504-W688 HydrophobicContact CG-CZ2 4.03Å; L684-W688 PolarHBondContact O-N 3.29Å; A685-W688 PolarHBondContact O-N 3.32Å; W688-S690 VanDerWaalsContact C-N 3.33Å; W688-S693 WeakPolarHBondContact O-CB 3.18Å; W688-S693 PolarHBondContact O-OG 2.92Å; W688-I695 HydrophobicContact CD2-CD1 3.69Å; W688-I695 HydrophobicContact CD2-CG1 4.39Å; W688-I695 HydrophobicContact CE3-CD1 3.83Å; W688-I695 HydrophobicContact CG-CD1 4.01Å; W688-I695 HydrophobicContact CG-CG1 4.43Å; W688-I695 HydrophobicContact CZ3-CD1 4.33Å; W688-Y761 HydrophobicContact CH2-CE2 4.28Å; W688-Y761 HydrophobicContact CZ3-CE2 4.22Å; W688-F800 HydrophobicContact CB-CZ 4.32Å; W688-F800 HydrophobicContact CE3-CE1 4.34Å; W688-F800 HydrophobicContact CE3-CZ 4.43Å; W688-Y801 HydrophobicContact CZ3-CD1 4.28Å |
| 689 | L | 86.5 | Confident | 79.1 | Confident | 3 Ų | 3 | 43.5 Ų | 43.5 | 2% | 0.016 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 12.6 | 178.1 | -59.9 | 176.4 | 0 | 0 | 0 | 113.7 | A685 T686 N687 F800 I803 L843 R846 A847 | A685-L689 WeakPolarHBondContact O-CG 3.48Å; A685-L689 PolarHBondContact O-N 3.44Å; A685-L689 VanDerWaalsContact O-N 3.16Å; T686-L689 CarbonylContact O-C 3.15Å; T686-L689 PolarHBondContact O-N 3.21Å; N687-L689 VanDerWaalsContact C-N 3.31Å; N687-L689 PolarHBondContact O-N 3.27Å; L689-F800 HydrophobicContact CD1-CD2 3.82Å; L689-F800 HydrophobicContact CD1-CE2 3.74Å; L689-F800 HydrophobicContact CD2-CD2 4.17Å; L689-F800 HydrophobicContact CD2-CE2 4.19Å; L689-F800 HydrophobicContact CG-CD2 4.14Å; L689-F800 HydrophobicContact CG-CE2 3.79Å; L689-I803 HydrophobicContact CD2-CD1 3.47Å; L689-I803 VanDerWaalsContact CD2-CD1 3.47Å; L689-L843 HydrophobicContact CD1-CB 3.85Å; L689-L843 HydrophobicContact CD1-CD2 3.96Å; L689-L843 HydrophobicContact CD1-CG 4.39Å; L689-L843 VanDerWaalsContact CD1-O 3.3Å; L689-L843 WeakPolarHBondContact CD1-O 3.4Å; L689-R846 HydrophobicContact CB-CG 4.41Å; L689-R846 HydrophobicContact CD1-CB 4.46Å; L689-R846 VanDerWaalsContact O-CD 3.29Å; L689-R846 WeakPolarHBondContact O-CD 3.49Å; L689-A847 HydrophobicContact CD2-CB 4.13Å |
| 690 | S | 77.2 | Confident | 78.8 | Confident | 28 Ų | 28 | 42.7 Ų | 42.7 | 20% | 0.196 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -85.9 | 155.3 | 179.7 | 75.2 | 0 | 0 | 0 | 0 | 112.1 | T686 N687 W688 Y692 S693 | T686-S690 PolarHBondContact O-N 3.11Å; T686-S690 VanDerWaalsContact O-N 3.09Å; N687-S690 WeakPolarHBondContact O-CB 3.36Å; N687-S690 PolarHBondContact O-N 3.18Å; N687-S690 PolarHBondContact O-OG 3.25Å; W688-S690 VanDerWaalsContact C-N 3.33Å; S690-Y692 PolarHBondContact O-N 2.79Å; S690-Y692 PolarHBondContact OG-N 2.97Å; S690-S693 PolarHBondContact O-N 3.16Å; S690-S693 PolarHBondContact OG-N 3.21Å; S690-S693 VanDerWaalsContact OG-N 3.14Å |
| 691 | T | 59.9 | Low | 78.8 | Confident | 18 Ų | 18 | 38.8 Ų | 38.8 | 11% | 0.11 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -12.2 | 170.9 | 48.2 | 0 | 0 | 0 | 0 | 113.4 | E1649 N1655 | T691-E1649 WeakPolarHBondContact CB-OE1 3.5Å; T691-E1649 PolarHBondContact OG1-OE1 3.28Å; T691-N1655 WeakPolarHBondContact O-CB 3.29Å; T691-N1655 PolarHBondContact O-ND2 3.12Å |
| 692 | Y | 56.3 | Low | 78.8 | Confident | 98 Ų | 98 | 40 Ų | 40 | 38% | 0.384 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.1 | 17.8 | -178.7 | -60.2 | -86.9 | 0 | 0 | 0 | 113.2 | S690 Q694 R1642 E1649 | S690-Y692 PolarHBondContact O-N 2.79Å; S690-Y692 PolarHBondContact OG-N 2.97Å; Y692-Q694 PolarHBondContact O-N 3.35Å; Y692-R1642 HydrophobicContact CE1-CB 4.04Å; Y692-R1642 HydrophobicContact CE1-CG 4.28Å; Y692-E1649 HydrophobicContact CE2-CG 4.31Å; Y692-E1649 WeakPolarHBondContact CE2-OE1 3.1Å; Y692-E1649 WeakPolarHBondContact OH-CG 3.3Å; Y692-E1649 PolarHBondContact OH-OE1 3.01Å |
| 693 | S | 62.5 | Low | 78.7 | Confident | 32 Ų | 32 | 40 Ų | 40 | 22% | 0.224 | 21% | 0.212 | C | C | . | . | trans | -59.4 | 105.9 | -172.4 | 65.1 | 0 | 0 | 0 | 0 | 112.1 | N687 W688 S690 I695 | N687-S693 WeakPolarHBondContact O-CA 3.49Å; N687-S693 WeakPolarHBondContact O-CB 3.16Å; W688-S693 WeakPolarHBondContact O-CB 3.18Å; W688-S693 PolarHBondContact O-OG 2.92Å; S690-S693 PolarHBondContact O-N 3.16Å; S690-S693 PolarHBondContact OG-N 3.21Å; S690-S693 VanDerWaalsContact OG-N 3.14Å; S693-I695 PolarHBondContact O-N 3.07Å | ||
| 694 | Q | 63.7 | Low | 78.8 | Confident | 104 Ų | 104 | 37.4 Ų | 37.4 | 49% | 0.486 | 19% | 0.193 | S | C | . | . | trans | -94.4 | 74.1 | 173.5 | -73.4 | -178.9 | -21 | 0 | 0 | 108.3 | Y692 I696 | Y692-Q694 PolarHBondContact O-N 3.35Å; Q694-I696 PolarHBondContact O-N 3.09Å; Q694-I696 VanDerWaalsContact O-N 3.14Å | ||
| 695 | I | 75.4 | Confident | 79 | Confident | 18 Ų | 18 | 38.8 Ų | 38.8 | 9% | 0.092 | 20% | 0.201 | C | C | . | . | trans | -76.2 | 96.4 | 168 | -59.5 | 179.5 | 0 | 0 | 0 | 106.8 | I500 W688 S693 L697 Y761 | I500-I695 HydrophobicContact CG2-CG2 4.04Å; W688-I695 HydrophobicContact CD2-CD1 3.69Å; W688-I695 HydrophobicContact CD2-CG1 4.39Å; W688-I695 HydrophobicContact CE3-CD1 3.83Å; W688-I695 HydrophobicContact CG-CD1 4.01Å; W688-I695 HydrophobicContact CG-CG1 4.43Å; W688-I695 HydrophobicContact CZ3-CD1 4.33Å; S693-I695 PolarHBondContact O-N 3.07Å; I695-L697 HydrophobicContact CG2-CD2 4.06Å; I695-Y761 VanDerWaalsContact CD1-OH 3.3Å; I695-Y761 WeakPolarHBondContact CD1-OH 3.41Å; I695-Y761 HydrophobicContact CG2-CE1 4.32Å | ||
| 696 | I | 76 | Confident | 79.1 | Confident | 38 Ų | 38 | 42 Ų | 42 | 20% | 0.195 | 22% | 0.223 | C | C | . | . | B | Isolated β-bridge | trans | -75.1 | 136.9 | 177 | -60.5 | 153.1 | 0 | 0 | 0 | 107.7 | G499 H501 Q694 E1605 | G499-I696 VanDerWaalsContact O-O 3.11Å; H501-I696 HydrophobicContact CB-CB 4.35Å; H501-I696 PolarHBondContact N-O 2.86Å; H501-I696 PolarHBondContact O-N 3.4Å; Q694-I696 PolarHBondContact O-N 3.09Å; Q694-I696 VanDerWaalsContact O-N 3.14Å; I696-E1605 HydrophobicContact CD1-CG 3.9Å; I696-E1605 VanDerWaalsContact CD1-OE1 3.28Å; I696-E1605 WeakPolarHBondContact CD1-OE1 3.48Å; I696-E1605 HydrophobicContact CG1-CG 4.09Å; I696-E1605 HydrophobicContact CG2-CG 4.12Å |
| 697 | L | 79 | Confident | 79.3 | Confident | 6 Ų | 6 | 40.2 Ų | 40.2 | 3% | 0.031 | 21% | 0.212 | C | C | . | . | trans | -118.4 | 156.7 | 177.4 | -58.4 | 178.9 | 0 | 0 | 0 | 110.1 | I500 I695 Y761 H1603 | I500-L697 HydrophobicContact CG1-CD2 3.93Å; I695-L697 HydrophobicContact CG2-CD2 4.06Å; L697-Y761 HydrophobicContact CD1-CD1 3.94Å; L697-Y761 HydrophobicContact CD1-CG 4.41Å; L697-Y761 HydrophobicContact CD2-CD1 3.97Å; L697-Y761 HydrophobicContact CD2-CG 3.98Å; L697-H1603 HydrophobicContact CD1-CB 4.45Å; L697-H1603 PolarHBondContact N-O 2.91Å; L697-H1603 VanDerWaalsContact N-O 3.16Å | ||
| 698 | N | 75.2 | Confident | 79.7 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | trans | -73.3 | 128.8 | 173.2 | -167.7 | -46.7 | 0 | 0 | 0 | 110.4 | K408 T410 L498 Q700 R701 | K408-N698 WeakPolarHBondContact CB-ND2 3.19Å; T410-N698 PolarHBondContact OG1-ND2 3.34Å; L498-N698 WeakPolarHBondContact O-CB 3.46Å; L498-N698 PolarHBondContact O-N 2.95Å; N698-Q700 PolarHBondContact O-N 3.25Å; N698-Q700 WeakPolarHBondContact OD1-CA 3.31Å; N698-Q700 PolarHBondContact OD1-N 3.21Å; N698-R701 HydrophobicContact CB-CB 4.29Å; N698-R701 WeakPolarHBondContact O-CB 3.42Å; N698-R701 VanDerWaalsContact O-CD 3.3Å; N698-R701 WeakPolarHBondContact O-CD 3.44Å; N698-R701 VanDerWaalsContact O-CG 3.23Å; N698-R701 WeakPolarHBondContact O-CG 3.26Å; N698-R701 PolarHBondContact O-N 3.44Å; N698-R701 PolarHBondContact O-NH1 3.4Å | ||
| 699 | P | 71.9 | Confident | 79.9 | Confident | 59 Ų | 59 | 43.3 Ų | 43.3 | 38% | 0.383 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -26.1 | 176.3 | 25.5 | -33.2 | 0 | 0 | 0 | 113 | P409 | P409-P699 HydrophobicContact CG-CG 3.99Š|
| 700 | Q | 76.5 | Confident | 80.2 | Confident | 116 Ų | 116 | 44.9 Ų | 44.9 | 54% | 0.542 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 26.6 | 175.3 | -59.3 | -168.2 | 2.7 | 0 | 0 | 113 | K408 N698 | K408-Q700 VanDerWaalsContact CE-O 3.25Å; K408-Q700 WeakPolarHBondContact CE-O 3.46Å; K408-Q700 HydrophobicContact CG-CB 4.31Å; K408-Q700 PolarHBondContact NZ-O 3Å; N698-Q700 PolarHBondContact O-N 3.25Å; N698-Q700 WeakPolarHBondContact OD1-CA 3.31Å; N698-Q700 PolarHBondContact OD1-N 3.21Å |
| 701 | R | 84.9 | Confident | 81 | Confident | 20 Ų | 20 | 43.5 Ų | 43.5 | 8% | 0.075 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -58.7 | 145.5 | 169.8 | 65.5 | -165.5 | 178.8 | -81.1 | -3.4 | 111.3 | N698 Y761 K763 E1598 | N698-R701 HydrophobicContact CB-CB 4.29Å; N698-R701 WeakPolarHBondContact O-CB 3.42Å; N698-R701 VanDerWaalsContact O-CD 3.3Å; N698-R701 WeakPolarHBondContact O-CD 3.44Å; N698-R701 VanDerWaalsContact O-CG 3.23Å; N698-R701 WeakPolarHBondContact O-CG 3.26Å; N698-R701 PolarHBondContact O-N 3.44Å; N698-R701 PolarHBondContact O-NH1 3.4Å; R701-Y761 WeakPolarHBondContact CD-O 3.48Å; R701-Y761 PolarHBondContact NE-O 3.03Å; R701-K763 HydrophobicContact CG-CB 4.17Å; R701-E1598 IonicContact CZ-OE1 3.66Å; R701-E1598 VanDerWaalsContact NH2-CD 3.33Å; R701-E1598 IonicContact NH2-OE1 3.46Å; R701-E1598 PolarHBondContact NH2-OE1 2.83Å |
| 702 | P | 88.2 | Confident | 82.4 | Confident | 29 Ų | 29 | 42.7 Ų | 42.7 | 19% | 0.188 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -69.3 | 167.5 | -178.4 | 30.3 | -35.3 | 0 | 0 | 0 | 112.5 | F497 L707 K763 | F497-P702 HydrophobicContact CB-CG 4.13Å; F497-P702 WeakPolarHBondContact O-CD 3.45Å; P702-L707 HydrophobicContact CB-CG 4.37Å; P702-L707 HydrophobicContact CG-CD1 3.9Å; P702-L707 HydrophobicContact CG-CD2 3.74Å; P702-L707 HydrophobicContact CG-CG 3.73Å; P702-K763 PolarHBondContact O-N 3Å |
| 703 | E | 89.5 | Confident | 83.9 | Confident | 66 Ų | 66 | 41.4 Ų | 41.4 | 31% | 0.308 | 23% | 0.228 | S | C | . | . | B | Isolated β-bridge | trans | -79.3 | 151.6 | 175.5 | -62.2 | -169.3 | 177.5 | 0 | 0 | 112 | N705 S706 L707 K763 | E703-N705 VanDerWaalsContact C-N 3.29Å; E703-N705 PolarHBondContact O-N 3.06Å; E703-S706 WeakPolarHBondContact O-CB 3.22Å; E703-S706 PolarHBondContact O-N 3.36Å; E703-L707 PolarHBondContact O-N 2.76Å; E703-K763 VanDerWaalsContact CA-O 3.29Å; E703-K763 WeakPolarHBondContact CA-O 3.42Å; E703-K763 HydrophobicContact CG-CB 4.22Å; E703-K763 HydrophobicContact CG-CD 4.08Å; E703-K763 HydrophobicContact CG-CG 4.3Å; E703-K763 IonicContact OE1-NZ 3.14Å; E703-K763 PolarHBondContact OE1-NZ 3.13Å |
| 704 | I | 92.2 | Very high | 85.3 | Confident | 4 Ų | 4 | 40.7 Ų | 40.7 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -49.9 | -48.9 | -179.4 | -63.9 | 163.8 | 0 | 0 | 0 | 111.5 | S706 L707 L708 I758 M759 A762 K763 R764 L767 | I704-S706 VanDerWaalsContact C-N 3.3Å; I704-S706 PolarHBondContact O-N 3.24Å; I704-L707 PolarHBondContact O-N 3.45Å; I704-L708 HydrophobicContact CG2-CD1 3.54Å; I704-L708 HydrophobicContact CG2-CG 4.09Å; I704-L708 WeakPolarHBondContact O-CG 3.48Å; I704-L708 PolarHBondContact O-N 3.41Å; I704-I758 HydrophobicContact CG2-CG2 4.25Å; I704-M759 HydrophobicContact CG2-SD 3.73Å; I704-A762 HydrophobicContact CG1-CB 3.69Å; I704-K763 PolarHBondContact N-O 2.63Å; I704-R764 HydrophobicContact CD1-CG 4.14Å; I704-L767 HydrophobicContact CB-CD1 4.03Å; I704-L767 HydrophobicContact CD1-CD1 4.31Å; I704-L767 HydrophobicContact CG2-CD1 3.45Å; I704-L767 VanDerWaalsContact CG2-CD1 3.45Å |
| 705 | N | 92.7 | Very high | 86.8 | Confident | 45 Ų | 45 | 35.7 Ų | 35.7 | 24% | 0.241 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.7 | -38.3 | -178.2 | -68.4 | -11.5 | 0 | 0 | 0 | 112.3 | E703 L708 Q709 R766 A768 | E703-N705 VanDerWaalsContact C-N 3.29Å; E703-N705 PolarHBondContact O-N 3.06Å; N705-L708 PolarHBondContact O-N 3.05Å; N705-Q709 VanDerWaalsContact O-CB 3.22Å; N705-Q709 WeakPolarHBondContact O-CB 3.39Å; N705-Q709 PolarHBondContact O-N 2.93Å; N705-R766 PolarHBondContact ND2-O 3.27Å; N705-A768 PolarHBondContact OD1-N 3.33Å |
| 706 | S | 92.1 | Very high | 87.5 | Confident | 66 Ų | 66 | 35.5 Ų | 35.5 | 46% | 0.462 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -66.7 | -41.3 | 179.6 | -51.3 | 0 | 0 | 0 | 0 | 111.7 | E703 I704 L710 | E703-S706 WeakPolarHBondContact O-CB 3.22Å; E703-S706 PolarHBondContact O-N 3.36Å; I704-S706 VanDerWaalsContact C-N 3.3Å; I704-S706 PolarHBondContact O-N 3.24Å; S706-L710 PolarHBondContact O-N 2.99Å |
| 707 | L | 93.5 | Very high | 88.1 | Confident | 6 Ų | 6 | 34.7 Ų | 34.7 | 3% | 0.031 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.6 | -39.1 | 175.1 | -70.8 | 176.2 | 0 | 0 | 0 | 112 | F497 L498 P702 E703 I704 L710 F711 I758 A762 | F497-L707 HydrophobicContact CB-CD2 4.32Å; L498-L707 HydrophobicContact CD2-CD1 3.84Å; L498-L707 HydrophobicContact CG-CD1 4.42Å; P702-L707 HydrophobicContact CB-CG 4.37Å; P702-L707 HydrophobicContact CG-CD1 3.9Å; P702-L707 HydrophobicContact CG-CD2 3.74Å; P702-L707 HydrophobicContact CG-CG 3.73Å; E703-L707 PolarHBondContact O-N 2.76Å; I704-L707 PolarHBondContact O-N 3.45Å; L707-L710 PolarHBondContact O-N 3.39Å; L707-F711 HydrophobicContact CD2-CD2 4.32Å; L707-F711 HydrophobicContact CD2-CE2 4.08Å; L707-F711 WeakPolarHBondContact O-CB 3.28Å; L707-F711 WeakPolarHBondContact O-CD2 3.4Å; L707-F711 PolarHBondContact O-N 3.04Å; L707-I758 HydrophobicContact CB-CD1 4.38Å; L707-I758 HydrophobicContact CB-CG2 4.13Å; L707-I758 HydrophobicContact CD1-CG1 4.21Å; L707-I758 HydrophobicContact CD1-CG2 4.13Å; L707-A762 HydrophobicContact CD1-CB 3.97Å |
| 708 | L | 93.4 | Very high | 88.6 | Confident | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | I | π-helix | trans | -78.5 | -22.9 | 179.2 | -64.2 | -178.7 | 0 | 0 | 0 | 113.5 | I704 N705 G712 F716 L755 I758 M759 Y771 | I704-L708 HydrophobicContact CG2-CD1 3.54Å; I704-L708 HydrophobicContact CG2-CG 4.09Å; I704-L708 WeakPolarHBondContact O-CG 3.48Å; I704-L708 PolarHBondContact O-N 3.41Å; N705-L708 PolarHBondContact O-N 3.05Å; L708-G712 WeakPolarHBondContact O-CA 3.18Å; L708-G712 PolarHBondContact O-N 3.28Å; L708-F716 HydrophobicContact CD1-CZ 4.13Å; L708-F716 HydrophobicContact CD2-CE2 4.43Å; L708-F716 HydrophobicContact CD2-CZ 4.14Å; L708-L755 HydrophobicContact CD2-CD2 3.92Å; L708-I758 HydrophobicContact CD2-CD1 4.28Å; L708-I758 HydrophobicContact CD2-CG2 4.1Å; L708-I758 HydrophobicContact CG-CG2 4.21Å; L708-M759 HydrophobicContact CD1-SD 4.04Å; L708-Y771 HydrophobicContact CB-CD1 4.26Å; L708-Y771 HydrophobicContact CB-CD2 3.82Å; L708-Y771 HydrophobicContact CB-CE1 4.26Å; L708-Y771 HydrophobicContact CB-CE2 3.84Å; L708-Y771 HydrophobicContact CB-CG 4.06Å; L708-Y771 HydrophobicContact CD1-CD2 4.03Å; L708-Y771 HydrophobicContact CD1-CG 3.89Å |
| 709 | Q | 91.8 | Very high | 89.3 | Confident | 151 Ų | 151 | 34.3 Ų | 34.3 | 71% | 0.706 | 19% | 0.189 | S | C | * | . | I | π-helix | trans | -68.7 | -38.5 | 168.8 | -175.4 | 175 | 6.6 | 0 | 0 | 111.2 | N705 Y771 | N705-Q709 VanDerWaalsContact O-CB 3.22Å; N705-Q709 WeakPolarHBondContact O-CB 3.39Å; N705-Q709 PolarHBondContact O-N 2.93Å; Q709-Y771 WeakPolarHBondContact CA-OH 3.42Å |
| 710 | L | 91.9 | Very high | 89.8 | Confident | 35 Ų | 35 | 31.8 Ų | 31.8 | 18% | 0.183 | 17% | 0.172 | C | C | . | . | I | π-helix | trans | -78.4 | -51 | 179.5 | -173.3 | 66.9 | 0 | 0 | 0 | 112.5 | W435 I436 L439 Y440 S706 L707 | W435-L710 HydrophobicContact CH2-CD2 3.63Å; W435-L710 HydrophobicContact CZ2-CD2 4.18Å; I436-L710 HydrophobicContact CD1-CD1 4.07Å; L439-L710 HydrophobicContact CD2-CD1 4.14Å; L439-L710 HydrophobicContact CD2-CD2 4.28Å; L439-L710 HydrophobicContact CD2-CG 4.33Å; Y440-L710 HydrophobicContact CE2-CD1 4.04Å; Y440-L710 PolarHBondContact OH-O 2.87Å; S706-L710 PolarHBondContact O-N 2.99Å; L707-L710 PolarHBondContact O-N 3.39Å |
| 711 | F | 93.8 | Very high | 90 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | I | π-helix | trans | -110.2 | -17.8 | -171.4 | -54.8 | -61.3 | 0 | 0 | 0 | 114.5 | L439 L490 I493 V494 L707 A713 W714 L715 | L439-F711 HydrophobicContact CD1-CE1 4.2Å; L439-F711 HydrophobicContact CD2-CE1 3.92Å; L439-F711 HydrophobicContact CD2-CZ 4.47Å; L490-F711 HydrophobicContact CD2-CD1 4.1Å; L490-F711 HydrophobicContact CD2-CE1 3.91Å; I493-F711 HydrophobicContact CG2-CZ 3.82Å; V494-F711 HydrophobicContact CG2-CD2 3.85Å; V494-F711 HydrophobicContact CG2-CE2 3.84Å; L707-F711 HydrophobicContact CD2-CD2 4.32Å; L707-F711 HydrophobicContact CD2-CE2 4.08Å; L707-F711 WeakPolarHBondContact O-CB 3.28Å; L707-F711 WeakPolarHBondContact O-CD2 3.4Å; L707-F711 PolarHBondContact O-N 3.04Å; F711-A713 PolarHBondContact O-N 2.75Å; F711-W714 HydrophobicContact CD1-CE3 4.07Å; F711-W714 AromaticContact CD1-CZ3 3.95Å; F711-W714 HydrophobicContact CD1-CZ3 3.95Å; F711-W714 HydrophobicContact CE1-CZ3 4.41Å; F711-W714 PolarHBondContact O-N 2.75Å; F711-W714 VanDerWaalsContact O-N 3.12Å; F711-L715 HydrophobicContact CB-CD1 3.66Å; F711-L715 HydrophobicContact CB-CG 4.13Å; F711-L715 WeakPolarHBondContact O-CG 3.29Å; F711-L715 PolarHBondContact O-N 2.91Å |
| 712 | G | 90.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.149 | C | C | . | . | I | π-helix | trans | -62.4 | -38 | -166.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L708 W714 L715 F716 | L708-G712 WeakPolarHBondContact O-CA 3.18Å; L708-G712 PolarHBondContact O-N 3.28Å; G712-W714 VanDerWaalsContact C-N 3.3Å; G712-W714 PolarHBondContact O-N 3.2Å; G712-L715 PolarHBondContact O-N 3.31Å; G712-F716 WeakPolarHBondContact O-CB 3.48Å; G712-F716 WeakPolarHBondContact O-CD2 3.44Å; G712-F716 VanDerWaalsContact O-CG 3.31Å; G712-F716 WeakPolarHBondContact O-CG 3.44Å; G712-F716 PolarHBondContact O-N 2.99Å |
| 713 | A | 87.6 | Confident | 88.6 | Confident | 72 Ų | 72 | 25.4 Ų | 25.4 | 60% | 0.595 | 15% | 0.145 | S | C | * | . | H | α-helix | trans | -55.4 | -46.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | F711 E717 | F711-A713 PolarHBondContact O-N 2.75Å; A713-E717 WeakPolarHBondContact O-CB 3.34Å; A713-E717 PolarHBondContact O-N 3.29Å |
| 714 | W | 92.2 | Very high | 87.3 | Confident | 16 Ų | 16 | 30.6 Ų | 30.6 | 6% | 0.061 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -69 | -47.5 | 177.6 | -52.6 | -24.7 | 0 | 0 | 0 | 111.6 | L439 Y440 D443 N444 P445 V446 L490 F711 G712 E717 A718 | L439-W714 HydrophobicContact CD1-CZ3 4.39Å; L439-W714 HydrophobicContact CG-CH2 4.23Å; L439-W714 HydrophobicContact CG-CZ3 4.4Å; Y440-W714 HydrophobicContact CD1-CH2 4.03Å; Y440-W714 AromaticContact CD1-CZ2 3.6Å; Y440-W714 HydrophobicContact CD1-CZ2 3.6Å; Y440-W714 AromaticContact CE1-CH2 3.82Å; Y440-W714 HydrophobicContact CE1-CH2 3.82Å; Y440-W714 AromaticContact CE1-CZ2 3.32Å; Y440-W714 HydrophobicContact CE1-CZ2 3.32Å; D443-W714 WeakPolarHBondContact O-CZ2 3.19Å; N444-W714 VanDerWaalsContact CG-CD1 3.46Å; N444-W714 VanDerWaalsContact OD1-CD1 3.31Å; P445-W714 HydrophobicContact CG-CB 4.1Å; P445-W714 HydrophobicContact CG-CD2 4.37Å; P445-W714 HydrophobicContact CG-CE3 4.45Å; P445-W714 HydrophobicContact CG-CG 4.26Å; V446-W714 WeakPolarHBondContact CG2-O 3.25Å; L490-W714 HydrophobicContact CD1-CE3 3.8Å; L490-W714 HydrophobicContact CD1-CZ3 4.27Å; L490-W714 HydrophobicContact CD2-CE3 4.45Å; L490-W714 HydrophobicContact CD2-CZ3 4.12Å; F711-W714 HydrophobicContact CD1-CE3 4.07Å; F711-W714 AromaticContact CD1-CZ3 3.95Å; F711-W714 HydrophobicContact CD1-CZ3 3.95Å; F711-W714 HydrophobicContact CE1-CZ3 4.41Å; F711-W714 PolarHBondContact O-N 2.75Å; F711-W714 VanDerWaalsContact O-N 3.12Å; G712-W714 VanDerWaalsContact C-N 3.3Å; G712-W714 PolarHBondContact O-N 3.2Å; W714-E717 PolarHBondContact O-N 3.31Å; W714-A718 WeakPolarHBondContact O-CB 3.49Å; W714-A718 PolarHBondContact O-N 3.23Å |
| 715 | L | 93.8 | Very high | 85.8 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -69.3 | -38.8 | -174.4 | -67.6 | 173.9 | 0 | 0 | 0 | 113.2 | L487 F711 G712 S719 A751 I754 L755 I758 | L487-L715 HydrophobicContact CD2-CD2 4.48Å; F711-L715 HydrophobicContact CB-CD1 3.66Å; F711-L715 HydrophobicContact CB-CG 4.13Å; F711-L715 WeakPolarHBondContact O-CG 3.29Å; F711-L715 PolarHBondContact O-N 2.91Å; G712-L715 PolarHBondContact O-N 3.31Å; L715-S719 VanDerWaalsContact O-CB 3.29Å; L715-S719 WeakPolarHBondContact O-CB 3.16Å; L715-S719 PolarHBondContact O-N 3.25Å; L715-S719 VanDerWaalsContact O-N 3.09Å; L715-S719 PolarHBondContact O-OG 3.04Å; L715-A751 HydrophobicContact CD2-CB 4.33Å; L715-I754 HydrophobicContact CD1-CB 4.45Å; L715-I754 HydrophobicContact CD1-CG2 3.59Å; L715-I754 HydrophobicContact CD2-CB 4.08Å; L715-I754 HydrophobicContact CD2-CD1 3.89Å; L715-I754 HydrophobicContact CD2-CG2 3.91Å; L715-I754 HydrophobicContact CG-CG2 4.42Å; L715-L755 HydrophobicContact CB-CD1 4.47Å; L715-L755 HydrophobicContact CB-CD2 3.69Å; L715-L755 HydrophobicContact CB-CG 3.97Å; L715-L755 HydrophobicContact CD1-CD2 4.1Å; L715-I758 HydrophobicContact CD1-CD1 3.72Å |
| 716 | F | 91.5 | Very high | 83.8 | Confident | 14 Ų | 14 | 39.1 Ų | 39.1 | 6% | 0.061 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.2 | -47.6 | 175.7 | -68.9 | -50.4 | 0 | 0 | 0 | 110.8 | L708 G712 A718 S719 I720 L755 Y771 R774 F775 | L708-F716 HydrophobicContact CD1-CZ 4.13Å; L708-F716 HydrophobicContact CD2-CE2 4.43Å; L708-F716 HydrophobicContact CD2-CZ 4.14Å; G712-F716 WeakPolarHBondContact O-CB 3.48Å; G712-F716 WeakPolarHBondContact O-CD2 3.44Å; G712-F716 VanDerWaalsContact O-CG 3.31Å; G712-F716 WeakPolarHBondContact O-CG 3.44Å; G712-F716 PolarHBondContact O-N 2.99Å; F716-A718 PolarHBondContact O-N 3.48Å; F716-S719 PolarHBondContact O-N 3Å; F716-I720 WeakPolarHBondContact O-CG1 3.23Å; F716-I720 PolarHBondContact O-N 3.4Å; F716-L755 HydrophobicContact CD1-CD1 3.74Å; F716-L755 HydrophobicContact CD1-CD2 4.13Å; F716-L755 HydrophobicContact CE1-CD1 4.03Å; F716-L755 HydrophobicContact CE1-CD2 3.87Å; F716-L755 HydrophobicContact CZ-CD2 4.39Å; F716-Y771 AromaticContact CE2-CD1 3.71Å; F716-Y771 HydrophobicContact CE2-CD1 3.71Å; F716-Y771 HydrophobicContact CE2-CE1 4.38Å; F716-Y771 HydrophobicContact CE2-CG 4.44Å; F716-Y771 HydrophobicContact CZ-CD1 4.31Å; F716-R774 HydrophobicContact CD1-CB 3.8Å; F716-R774 HydrophobicContact CD2-CB 4.06Å; F716-R774 HydrophobicContact CE1-CB 3.81Å; F716-R774 HydrophobicContact CE2-CB 4.08Å; F716-R774 HydrophobicContact CG-CB 3.94Å; F716-R774 HydrophobicContact CZ-CB 3.95Å; F716-F775 HydrophobicContact CE1-CB 3.96Å |
| 717 | E | 87.8 | Confident | 81.9 | Confident | 20 Ų | 20 | 38.4 Ų | 38.4 | 9% | 0.093 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.2 | -42.3 | 177.9 | -165.2 | 175.4 | -152.6 | 0 | 0 | 111.9 | N444 V446 A713 W714 S719 I720 S721 S733 A736 | N444-E717 PolarHBondContact ND2-OE2 3.44Å; V446-E717 HydrophobicContact CB-CG 4.46Å; V446-E717 HydrophobicContact CG1-CG 3.98Å; V446-E717 HydrophobicContact CG2-CB 4.26Å; A713-E717 WeakPolarHBondContact O-CB 3.34Å; A713-E717 PolarHBondContact O-N 3.29Å; W714-E717 PolarHBondContact O-N 3.31Å; E717-S719 PolarHBondContact O-N 3.12Å; E717-I720 WeakPolarHBondContact O-CD1 3.3Å; E717-I720 PolarHBondContact O-N 3.17Å; E717-S721 PolarHBondContact O-N 3.19Å; E717-S721 PolarHBondContact O-OG 3.33Å; E717-S733 WeakPolarHBondContact OE1-CB 3.32Å; E717-S733 PolarHBondContact OE1-OG 3.42Å; E717-A736 HydrophobicContact CG-CB 3.84Å |
| 718 | A | 90.1 | Very high | 79.8 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.3 | -35.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | V446 Y483 L487 W714 F716 S721 A751 | V446-A718 HydrophobicContact CG2-CB 3.72Å; Y483-A718 WeakPolarHBondContact OH-CA 3.42Å; Y483-A718 WeakPolarHBondContact OH-CB 3.47Å; Y483-A718 PolarHBondContact OH-O 2.96Å; L487-A718 HydrophobicContact CD1-CB 4.2Å; L487-A718 HydrophobicContact CD2-CB 4.25Å; W714-A718 WeakPolarHBondContact O-CB 3.49Å; W714-A718 PolarHBondContact O-N 3.23Å; F716-A718 PolarHBondContact O-N 3.48Å; A718-S721 WeakPolarHBondContact O-CB 3.47Å; A718-S721 PolarHBondContact O-OG 3.45Å; A718-A751 HydrophobicContact CB-CB 3.49Å; A718-A751 VanDerWaalsContact CB-CB 3.49Å |
| 719 | S | 89.2 | Confident | 77.9 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -78.1 | -22.6 | -173.5 | -65.8 | 0 | 0 | 0 | 0 | 114.7 | L715 F716 E717 R748 L755 | L715-S719 VanDerWaalsContact O-CB 3.29Å; L715-S719 WeakPolarHBondContact O-CB 3.16Å; L715-S719 PolarHBondContact O-N 3.25Å; L715-S719 VanDerWaalsContact O-N 3.09Å; L715-S719 PolarHBondContact O-OG 3.04Å; F716-S719 PolarHBondContact O-N 3Å; E717-S719 PolarHBondContact O-N 3.12Å; S719-R748 WeakPolarHBondContact O-CG 3.42Å; S719-R748 PolarHBondContact O-NE 3.41Å; S719-L755 VanDerWaalsContact OG-CD1 3.29Å; S719-L755 WeakPolarHBondContact OG-CD1 3.42Å |
| 720 | I | 83.8 | Confident | 76 | Confident | 6 Ų | 6 | 46.3 Ų | 46.3 | 3% | 0.031 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -110.8 | 8.8 | 177.1 | 51.8 | 61.9 | 0 | 0 | 0 | 113.5 | F716 E717 G722 V723 I732 A736 C778 Y781 | F716-I720 WeakPolarHBondContact O-CG1 3.23Å; F716-I720 PolarHBondContact O-N 3.4Å; E717-I720 WeakPolarHBondContact O-CD1 3.3Å; E717-I720 PolarHBondContact O-N 3.17Å; I720-G722 PolarHBondContact O-N 3.47Å; I720-G722 VanDerWaalsContact O-N 3.14Å; I720-V723 HydrophobicContact CB-CG2 4.37Å; I720-V723 WeakPolarHBondContact O-CG2 3.33Å; I720-V723 PolarHBondContact O-N 3.31Å; I720-I732 HydrophobicContact CD1-CG2 3.42Å; I720-I732 VanDerWaalsContact CD1-CG2 3.42Å; I720-I732 HydrophobicContact CG1-CD1 4.38Å; I720-I732 HydrophobicContact CG1-CG2 3.62Å; I720-I732 HydrophobicContact CG2-CD1 4.48Å; I720-A736 HydrophobicContact CD1-CB 3.25Å; I720-C778 HydrophobicContact CG2-CB 4.34Å; I720-Y781 HydrophobicContact CG2-CD2 4.06Å |
| 721 | S | 78.8 | Confident | 74.3 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.007 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | 114.9 | 175.6 | -70.5 | 0 | 0 | 0 | 0 | 112.2 | E717 A718 I739 | E717-S721 PolarHBondContact O-N 3.19Å; E717-S721 PolarHBondContact O-OG 3.33Å; A718-S721 WeakPolarHBondContact O-CB 3.47Å; A718-S721 PolarHBondContact O-OG 3.45Å; S721-I739 VanDerWaalsContact OG-CD1 3.25Å; S721-I739 WeakPolarHBondContact OG-CD1 3.32Å |
| 722 | G | 70.9 | Confident | 72.8 | Confident | 12 Ų | 12 | 48.2 Ų | 48.2 | 12% | 0.124 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.8 | 19.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | I720 A736 I739 | I720-G722 PolarHBondContact O-N 3.47Å; I720-G722 VanDerWaalsContact O-N 3.14Å; G722-A736 PolarHBondContact N-O 3.1Å; G722-I739 WeakPolarHBondContact CA-O 3.29Å |
| 723 | V | 73.8 | Confident | 71.7 | Confident | 17 Ų | 17 | 50.3 Ų | 50.3 | 10% | 0.103 | 29% | 0.29 | C | S | . | . | trans | -75 | 121 | 166 | 177 | 0 | 0 | 0 | 0 | 109.3 | I720 Q725 Y781 | I720-V723 HydrophobicContact CB-CG2 4.37Å; I720-V723 WeakPolarHBondContact O-CG2 3.33Å; I720-V723 PolarHBondContact O-N 3.31Å; V723-Q725 HydrophobicContact CG1-CB 4.5Å; V723-Y781 HydrophobicContact CG1-CD1 3.58Å; V723-Y781 HydrophobicContact CG1-CE1 4.07Å; V723-Y781 HydrophobicContact CG1-CG 3.93Å; V723-Y781 HydrophobicContact CG2-CG 4.4Å | ||
| 724 | K | 61.3 | Low | 70.7 | Confident | 176 Ų | 176 | 53.9 Ų | 53.9 | 77% | 0.765 | 29% | 0.294 | S | S | * | . | trans | -98.1 | 17.8 | -171.4 | -65 | -172.4 | 176.8 | -178.8 | 0 | 115.8 | ||||
| 725 | Q | 60.7 | Low | 69.7 | Low | 75 Ų | 75 | 59.2 Ų | 59.2 | 35% | 0.35 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -89.6 | 159 | -174 | -70 | -175.2 | -10.8 | 0 | 0 | 112.9 | V723 L727 L873 | V723-Q725 HydrophobicContact CG1-CB 4.5Å; Q725-L727 HydrophobicContact CB-CD1 4.18Å; Q725-L727 WeakPolarHBondContact O-CD1 3.37Å; Q725-L727 PolarHBondContact O-N 3.28Å; Q725-L873 HydrophobicContact CB-CD2 4.35Å |
| 726 | D | 51.5 | Low | 68.4 | Low | 153 Ų | 153 | 59.2 Ų | 59.2 | 82% | 0.818 | 31% | 0.314 | S | S | * | . | trans | -66.2 | 96.1 | -180 | -61.3 | -57.3 | 0 | 0 | 0 | 111.7 | ||||
| 727 | L | 52.7 | Low | 67.3 | Low | 51 Ų | 51 | 61 Ų | 61 | 27% | 0.267 | 33% | 0.326 | S | S | . | . | trans | -108.6 | 106.3 | 173 | -80.4 | 79.1 | 0 | 0 | 0 | 110.9 | Q725 V729 I732 Y781 | Q725-L727 HydrophobicContact CB-CD1 4.18Å; Q725-L727 WeakPolarHBondContact O-CD1 3.37Å; Q725-L727 PolarHBondContact O-N 3.28Å; L727-V729 VanDerWaalsContact C-N 3.26Å; L727-I732 HydrophobicContact CD2-CB 4.42Å; L727-I732 HydrophobicContact CD2-CD1 3.64Å; L727-Y781 HydrophobicContact CD1-CE1 4.13Å; L727-Y781 HydrophobicContact CD1-CE2 4.47Å; L727-Y781 VanDerWaalsContact CD1-OH 3.25Å; L727-Y781 WeakPolarHBondContact CD1-OH 3.41Å; L727-Y781 HydrophobicContact CD2-CE2 3.98Å; L727-Y781 WeakPolarHBondContact CD2-OH 3.33Å; L727-Y781 VanDerWaalsContact CG-OH 3.3Å; L727-Y781 WeakPolarHBondContact CG-OH 3.41Å | ||
| 728 | S | 49.3 | Very low | 66.4 | Low | 120 Ų | 120 | 66.1 Ų | 66.1 | 84% | 0.839 | 35% | 0.354 | S | S | * | . | trans | -85.1 | 4 | 161.3 | 56 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 729 | V | 52.9 | Low | 65.4 | Low | 62 Ų | 62 | 66.4 Ų | 66.4 | 38% | 0.376 | 36% | 0.356 | S | S | . | . | trans | -92.8 | 111.8 | -171.2 | -174.6 | 0 | 0 | 0 | 0 | 111 | L727 V731 | L727-V729 VanDerWaalsContact C-N 3.26Å; V729-V731 HydrophobicContact CG1-CB 4.06Å; V729-V731 HydrophobicContact CG1-CG2 3.78Å; V729-V731 PolarHBondContact O-N 3.33Å | ||
| 730 | T | 51.8 | Low | 64.5 | Low | 142 Ų | 142 | 69.4 Ų | 69.4 | 87% | 0.871 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 3.6 | -176.3 | 45.4 | 0 | 0 | 0 | 0 | 116.7 | I732 | T730-I732 VanDerWaalsContact C-N 3.33Š|
| 731 | V | 57 | Low | 63.7 | Low | 42 Ų | 42 | 69.7 Ų | 69.7 | 26% | 0.255 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -17.2 | -174.4 | 174.1 | 0 | 0 | 0 | 0 | 112.4 | V729 R774 L777 | V729-V731 HydrophobicContact CG1-CB 4.06Å; V729-V731 HydrophobicContact CG1-CG2 3.78Å; V729-V731 PolarHBondContact O-N 3.33Å; V731-R774 HydrophobicContact CG1-CG 3.49Å; V731-R774 VanDerWaalsContact CG1-CG 3.49Å; V731-R774 PolarHBondContact O-NE 3.39Å; V731-L777 HydrophobicContact CB-CD1 4.03Å; V731-L777 HydrophobicContact CG1-CD1 3.61Å |
| 732 | I | 61.9 | Low | 63.5 | Low | 33 Ų | 33 | 72.9 Ų | 72.9 | 17% | 0.169 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -118.4 | 142 | -172 | -68.7 | 175.5 | 0 | 0 | 0 | 111.2 | I720 L727 T730 H734 L777 Y781 | I720-I732 HydrophobicContact CD1-CG2 3.42Å; I720-I732 VanDerWaalsContact CD1-CG2 3.42Å; I720-I732 HydrophobicContact CG1-CD1 4.38Å; I720-I732 HydrophobicContact CG1-CG2 3.62Å; I720-I732 HydrophobicContact CG2-CD1 4.48Å; L727-I732 HydrophobicContact CD2-CB 4.42Å; L727-I732 HydrophobicContact CD2-CD1 3.64Å; T730-I732 VanDerWaalsContact C-N 3.33Å; I732-H734 PolarHBondContact O-N 3.48Å; I732-L777 HydrophobicContact CD1-CB 4.07Å; I732-L777 HydrophobicContact CD1-CD1 4.19Å; I732-L777 HydrophobicContact CG1-CD1 4.47Å; I732-Y781 HydrophobicContact CD1-CE2 4.13Å |
| 733 | S | 67.8 | Low | 63.8 | Low | 44 Ų | 44 | 77.7 Ų | 77.7 | 31% | 0.308 | 41% | 0.407 | S | S | . | . | trans | -62.5 | 121 | 177 | 178.4 | 0 | 0 | 0 | 0 | 111.6 | E717 R735 A736 | E717-S733 WeakPolarHBondContact OE1-CB 3.32Å; E717-S733 PolarHBondContact OE1-OG 3.42Å; S733-R735 PolarHBondContact O-N 2.73Å; S733-R735 VanDerWaalsContact O-N 3.16Å; S733-R735 PolarHBondContact OG-N 3.11Å; S733-A736 PolarHBondContact O-N 3.44Å | ||
| 734 | H | 66 | Low | 64.4 | Low | 147 Ų | 147 | 77.4 Ų | 77.4 | 68% | 0.681 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -57.8 | -27.2 | 174.1 | -172.9 | -19 | 0 | 0 | 0 | 112.1 | I732 A736 T737 | I732-H734 PolarHBondContact O-N 3.48Å; H734-A736 VanDerWaalsContact C-N 3.28Å; H734-A736 PolarHBondContact O-N 3.19Å; H734-T737 PolarHBondContact O-N 3.37Å; H734-T737 PolarHBondContact O-OG1 3.37Å |
| 735 | R | 71.2 | Confident | 65.6 | Low | 128 Ų | 128 | 69.4 Ų | 69.4 | 48% | 0.483 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -58.4 | -43.7 | 178.9 | -63.6 | -178.1 | 167.9 | -166.5 | -3.5 | 111.2 | D447 H450 S733 T737 L738 | D447-R735 IonicContact OD1-NH1 2.67Å; H450-R735 VanDerWaalsContact NE2-C 3.31Å; H450-R735 WeakPolarHBondContact NE2-CB 3.41Å; H450-R735 PolarHBondContact NE2-O 2.8Å; S733-R735 PolarHBondContact O-N 2.73Å; S733-R735 VanDerWaalsContact O-N 3.16Å; S733-R735 PolarHBondContact OG-N 3.11Å; R735-T737 VanDerWaalsContact C-N 3.27Å; R735-T737 PolarHBondContact O-N 3.39Å; R735-L738 VanDerWaalsContact O-CB 3.27Å; R735-L738 WeakPolarHBondContact O-CB 3.39Å; R735-L738 PolarHBondContact O-N 3.37Å |
| 736 | A | 67.3 | Low | 67 | Low | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -67.7 | -19.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | E717 I720 G722 S733 H734 L738 I739 | E717-A736 HydrophobicContact CG-CB 3.84Å; I720-A736 HydrophobicContact CD1-CB 3.25Å; G722-A736 PolarHBondContact N-O 3.1Å; S733-A736 PolarHBondContact O-N 3.44Å; H734-A736 VanDerWaalsContact C-N 3.28Å; H734-A736 PolarHBondContact O-N 3.19Å; A736-L738 PolarHBondContact O-N 2.97Å; A736-I739 HydrophobicContact CB-CD1 4.2Å |
| 737 | T | 66.7 | Low | 68.9 | Low | 51 Ų | 51 | 58.8 Ų | 58.8 | 31% | 0.313 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -75 | -14.3 | 173.5 | 63.1 | 0 | 0 | 0 | 0 | 112.9 | H734 R735 I739 | H734-T737 PolarHBondContact O-N 3.37Å; H734-T737 PolarHBondContact O-OG1 3.37Å; R735-T737 VanDerWaalsContact C-N 3.27Å; R735-T737 PolarHBondContact O-N 3.39Å; T737-I739 VanDerWaalsContact C-N 3.34Å |
| 738 | L | 68.8 | Low | 70.6 | Confident | 129 Ų | 129 | 57.3 Ų | 57.3 | 68% | 0.675 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -84.4 | -7.1 | 178.9 | -56.2 | 172.5 | 0 | 0 | 0 | 113.5 | R735 A736 | R735-L738 VanDerWaalsContact O-CB 3.27Å; R735-L738 WeakPolarHBondContact O-CB 3.39Å; R735-L738 PolarHBondContact O-N 3.37Å; A736-L738 PolarHBondContact O-N 2.97Å |
| 739 | I | 70.5 | Confident | 72.6 | Confident | 6 Ų | 6 | 51.6 Ų | 51.6 | 3% | 0.031 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -81.6 | 142 | -175.5 | -60 | 163.8 | 0 | 0 | 0 | 110.4 | V446 S449 S721 G722 A736 T737 G741 Y744 | V446-I739 HydrophobicContact CG1-CD1 4.23Å; S449-I739 WeakPolarHBondContact OG-CD1 3.1Å; S721-I739 VanDerWaalsContact OG-CD1 3.25Å; S721-I739 WeakPolarHBondContact OG-CD1 3.32Å; G722-I739 WeakPolarHBondContact CA-O 3.29Å; A736-I739 HydrophobicContact CB-CD1 4.2Å; T737-I739 VanDerWaalsContact C-N 3.34Å; I739-G741 PolarHBondContact O-N 2.86Å; I739-Y744 HydrophobicContact CG2-CD2 3.39Å; I739-Y744 HydrophobicContact CG2-CE2 3.91Å; I739-Y744 HydrophobicContact CG2-CG 4.13Å |
| 740 | D | 70.5 | Confident | 74.6 | Confident | 63 Ų | 63 | 48.9 Ų | 48.9 | 34% | 0.337 | 25% | 0.25 | S | S | . | . | trans | -73.5 | 93.8 | 167.9 | -177.4 | 8 | 0 | 0 | 0 | 110.2 | N742 R743 Y744 | D740-N742 PolarHBondContact O-N 3.25Å; D740-N742 PolarHBondContact OD1-N 3.1Å; D740-R743 HydrophobicContact CB-CG 4.38Å; D740-R743 PolarHBondContact O-N 3.24Å; D740-R743 WeakPolarHBondContact OD2-CD 3.46Å; D740-R743 WeakPolarHBondContact OD2-CG 3.48Å; D740-R743 IonicContact OD2-NE 3.58Å; D740-R743 PolarHBondContact OD2-NE 3.26Å; D740-Y744 WeakPolarHBondContact O-CD2 3.43Å | ||
| 741 | G | 67.3 | Low | 76.6 | Confident | 12 Ų | 12 | 42.1 Ų | 42.1 | 12% | 0.124 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -51.2 | -33 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | I739 R743 Y744 L745 | I739-G741 PolarHBondContact O-N 2.86Å; G741-R743 PolarHBondContact O-N 3.38Å; G741-Y744 PolarHBondContact O-N 3.36Å; G741-L745 WeakPolarHBondContact O-CG 3.18Å; G741-L745 PolarHBondContact O-N 3.23Å |
| 742 | N | 72.6 | Confident | 78.4 | Confident | 68 Ų | 68 | 40.2 Ų | 40.2 | 36% | 0.364 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -73 | -8.2 | -178.4 | -83.5 | -32.3 | 0 | 0 | 0 | 115.4 | D740 K790 | D740-N742 PolarHBondContact O-N 3.25Å; D740-N742 PolarHBondContact OD1-N 3.1Å; N742-K790 HydrophobicContact CB-CD 4.46Å; N742-K790 PolarHBondContact O-NZ 2.9Å |
| 743 | R | 78.2 | Confident | 79.9 | Confident | 112 Ų | 112 | 38.7 Ų | 38.7 | 42% | 0.423 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -98 | -34.8 | 172.4 | -70.8 | -178.9 | -171.8 | -148.4 | -0.8 | 112.5 | P480 D740 G741 | P480-R743 WeakPolarHBondContact CB-O 3.46Å; P480-R743 HydrophobicContact CG-CB 3.93Å; D740-R743 HydrophobicContact CB-CG 4.38Å; D740-R743 PolarHBondContact O-N 3.24Å; D740-R743 WeakPolarHBondContact OD2-CD 3.46Å; D740-R743 WeakPolarHBondContact OD2-CG 3.48Å; D740-R743 IonicContact OD2-NE 3.58Å; D740-R743 PolarHBondContact OD2-NE 3.26Å; G741-R743 PolarHBondContact O-N 3.38Å |
| 744 | Y | 86.3 | Confident | 81.3 | Confident | 11 Ų | 11 | 36.6 Ų | 36.6 | 4% | 0.043 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -102.4 | 12.5 | -170.5 | -61.2 | -83.7 | 0 | 0 | 0 | 114.1 | F479 P480 Y483 I739 D740 G741 V746 G747 R748 | F479-Y744 HydrophobicContact CB-CE1 4.03Å; F479-Y744 WeakPolarHBondContact CB-OH 3.24Å; P480-Y744 HydrophobicContact CB-CD1 4.4Å; P480-Y744 HydrophobicContact CB-CE1 4.4Å; P480-Y744 HydrophobicContact CG-CD1 4.24Å; P480-Y744 HydrophobicContact CG-CE1 3.9Å; Y483-Y744 AromaticContact CD1-CD1 3.64Å; Y483-Y744 HydrophobicContact CD1-CD1 3.64Å; Y483-Y744 HydrophobicContact CD1-CG 4.29Å; Y483-Y744 HydrophobicContact CE1-CD1 4.28Å; Y483-Y744 AromaticContact CG-CD1 3.97Å; Y483-Y744 HydrophobicContact CG-CD1 3.97Å; I739-Y744 HydrophobicContact CG2-CD2 3.39Å; I739-Y744 HydrophobicContact CG2-CE2 3.91Å; I739-Y744 HydrophobicContact CG2-CG 4.13Å; D740-Y744 WeakPolarHBondContact O-CD2 3.43Å; G741-Y744 PolarHBondContact O-N 3.36Å; Y744-V746 VanDerWaalsContact C-N 3.32Å; Y744-V746 PolarHBondContact O-N 3.19Å; Y744-G747 PolarHBondContact O-N 3.13Å; Y744-R748 PolarHBondContact O-N 3.06Å |
| 745 | L | 87.4 | Confident | 82.7 | Confident | 8 Ų | 8 | 29.6 Ų | 29.6 | 4% | 0.042 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -44.3 | -47.9 | 178.7 | -79.8 | 145.8 | 0 | 0 | 0 | 114.3 | G741 R748 A749 K790 I794 | G741-L745 WeakPolarHBondContact O-CG 3.18Å; G741-L745 PolarHBondContact O-N 3.23Å; L745-R748 PolarHBondContact O-N 3.46Å; L745-A749 WeakPolarHBondContact O-CB 3.37Å; L745-A749 PolarHBondContact O-N 3.23Å; L745-K790 HydrophobicContact CD1-CB 3.71Å; L745-K790 HydrophobicContact CD1-CD 3.72Å; L745-K790 HydrophobicContact CD1-CG 4.25Å; L745-K790 HydrophobicContact CD2-CB 4.39Å; L745-I794 HydrophobicContact CD2-CD1 3.76Å; L745-I794 HydrophobicContact CD2-CG1 4.13Å |
| 746 | V | 89.5 | Confident | 83.9 | Confident | 4 Ų | 4 | 23.5 Ų | 23.5 | 2% | 0.024 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64.9 | -48.9 | -175 | -171.4 | 0 | 0 | 0 | 0 | 110.9 | H484 V514 L518 Y519 Y744 R748 A749 E750 Y793 | H484-V746 HydrophobicContact CB-CG1 4.34Å; V514-V746 HydrophobicContact CG1-CG1 3.71Å; V514-V746 HydrophobicContact CG1-CG2 3.93Å; V514-V746 HydrophobicContact CG2-CG1 4.18Å; L518-V746 HydrophobicContact CB-CG2 3.59Å; L518-V746 HydrophobicContact CD1-CG2 4.02Å; L518-V746 HydrophobicContact CG-CG2 4.44Å; Y519-V746 HydrophobicContact CE1-CB 4.22Å; Y519-V746 HydrophobicContact CE1-CG1 4.4Å; Y519-V746 HydrophobicContact CE1-CG2 4.15Å; Y744-V746 VanDerWaalsContact C-N 3.32Å; Y744-V746 PolarHBondContact O-N 3.19Å; V746-R748 PolarHBondContact O-N 2.88Å; V746-A749 WeakPolarHBondContact O-CB 3.48Å; V746-A749 PolarHBondContact O-N 3.12Å; V746-E750 PolarHBondContact O-N 3.29Å; V746-Y793 HydrophobicContact CG1-CE1 4.3Å; V746-Y793 HydrophobicContact CG2-CE1 4.47Å |
| 747 | G | 90.7 | Very high | 85.2 | Confident | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.01 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.9 | -40.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L487 Y744 A749 E750 A751 | L487-G747 WeakPolarHBondContact CD1-O 3.44Å; Y744-G747 PolarHBondContact O-N 3.13Å; G747-A749 VanDerWaalsContact C-N 3.32Å; G747-A749 PolarHBondContact O-N 3.04Å; G747-E750 PolarHBondContact O-N 3.16Å; G747-A751 PolarHBondContact O-N 3.35Å |
| 748 | R | 89.6 | Confident | 86.5 | Confident | 20 Ų | 20 | 21.1 Ų | 21.1 | 8% | 0.075 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -58.1 | -43.4 | 173.5 | -178.6 | 177.4 | 176.1 | -142.8 | -10 | 111.7 | S719 Y744 L745 V746 L752 Y781 I794 | S719-R748 WeakPolarHBondContact O-CG 3.42Å; S719-R748 PolarHBondContact O-NE 3.41Å; Y744-R748 PolarHBondContact O-N 3.06Å; L745-R748 PolarHBondContact O-N 3.46Å; V746-R748 PolarHBondContact O-N 2.88Å; R748-L752 HydrophobicContact CG-CD1 4.12Å; R748-L752 WeakPolarHBondContact O-CD1 3.39Å; R748-L752 WeakPolarHBondContact O-CG 3.28Å; R748-L752 PolarHBondContact O-N 3.21Å; R748-L752 VanDerWaalsContact O-N 3.07Å; R748-Y781 PolarHBondContact NH2-O 3.37Å; R748-I794 HydrophobicContact CB-CD1 4.47Å; R748-I794 HydrophobicContact CG-CD1 4.08Å |
| 749 | A | 91.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -64.9 | -42.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | L745 V746 G747 L752 G753 Y793 I794 L797 | L745-A749 WeakPolarHBondContact O-CB 3.37Å; L745-A749 PolarHBondContact O-N 3.23Å; V746-A749 WeakPolarHBondContact O-CB 3.48Å; V746-A749 PolarHBondContact O-N 3.12Å; G747-A749 VanDerWaalsContact C-N 3.32Å; G747-A749 PolarHBondContact O-N 3.04Å; A749-L752 PolarHBondContact O-N 3.18Å; A749-G753 PolarHBondContact O-N 2.84Å; A749-Y793 HydrophobicContact CB-CD1 4.12Å; A749-Y793 HydrophobicContact CB-CE1 4.01Å; A749-I794 HydrophobicContact CB-CG1 4.03Å; A749-L797 HydrophobicContact CB-CD1 3.72Å |
| 750 | E | 93.4 | Very high | 88.6 | Confident | 6 Ų | 6 | 15.3 Ų | 15.3 | 3% | 0.028 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -65.4 | -43.6 | 177.4 | -169.1 | 67.8 | 179.3 | 0 | 0 | 111.1 | R488 S491 V746 G747 L752 G753 I754 | R488-E750 WeakPolarHBondContact CD-OE1 3.28Å; R488-E750 IonicContact CZ-OE1 2.75Å; R488-E750 IonicContact NE-OE1 3.64Å; R488-E750 IonicContact NH1-OE1 3.49Å; R488-E750 PolarHBondContact NH1-OE1 2.99Å; R488-E750 IonicContact NH1-OE2 2.78Å; S491-E750 WeakPolarHBondContact CB-OE1 3.37Å; S491-E750 PolarHBondContact OG-OE1 3.01Å; V746-E750 PolarHBondContact O-N 3.29Å; G747-E750 PolarHBondContact O-N 3.16Å; E750-L752 PolarHBondContact O-N 3.48Å; E750-G753 WeakPolarHBondContact O-CA 3.35Å; E750-G753 PolarHBondContact O-N 3.11Å; E750-G753 VanDerWaalsContact O-N 3.13Å; E750-I754 HydrophobicContact CG-CD1 4.42Å; E750-I754 VanDerWaalsContact O-CG1 3.29Å; E750-I754 WeakPolarHBondContact O-CG1 3.42Å; E750-I754 PolarHBondContact O-N 3.2Å |
| 751 | A | 94.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -60.1 | -43.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L487 L715 A718 G747 G753 I754 L755 | L487-A751 HydrophobicContact CD1-CB 4.17Å; L487-A751 HydrophobicContact CD2-CB 4.47Å; L715-A751 HydrophobicContact CD2-CB 4.33Å; A718-A751 HydrophobicContact CB-CB 3.49Å; A718-A751 VanDerWaalsContact CB-CB 3.49Å; G747-A751 PolarHBondContact O-N 3.35Å; A751-G753 VanDerWaalsContact C-N 3.34Å; A751-I754 PolarHBondContact O-N 3.08Å; A751-L755 PolarHBondContact O-N 3.15Å |
| 752 | L | 94.5 | Very high | 90.4 | Very high | 2 Ų | 2 | 12.5 Ų | 12.5 | 1% | 0.01 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -62.1 | -41.4 | 173.2 | -74.8 | 161.5 | 0 | 0 | 0 | 111.5 | R748 A749 E750 I754 L755 C756 C778 A782 I794 V798 | R748-L752 HydrophobicContact CG-CD1 4.12Å; R748-L752 WeakPolarHBondContact O-CD1 3.39Å; R748-L752 WeakPolarHBondContact O-CG 3.28Å; R748-L752 PolarHBondContact O-N 3.21Å; R748-L752 VanDerWaalsContact O-N 3.07Å; A749-L752 PolarHBondContact O-N 3.18Å; E750-L752 PolarHBondContact O-N 3.48Å; L752-I754 PolarHBondContact O-N 3.32Å; L752-L755 PolarHBondContact O-N 2.85Å; L752-C756 PolarHBondContact O-N 2.92Å; L752-C756 PolarHBondContact O-SG 2.95Å; L752-C756 VanDerWaalsContact O-SG 3.33Å; L752-C778 HydrophobicContact CD2-CB 4.2Å; L752-A782 HydrophobicContact CD1-CB 3.54Å; L752-A782 HydrophobicContact CD2-CB 3.82Å; L752-A782 HydrophobicContact CG-CB 4.33Å; L752-I794 HydrophobicContact CD1-CG2 3.84Å; L752-V798 HydrophobicContact CB-CG2 3.96Å; L752-V798 HydrophobicContact CD1-CG2 4.01Å; L752-V798 HydrophobicContact CG-CG2 4.5Å |
| 753 | G | 94.5 | Very high | 91 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -59.4 | -43.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | A749 E750 A751 C756 R757 Y801 | A749-G753 PolarHBondContact O-N 2.84Å; E750-G753 WeakPolarHBondContact O-CA 3.35Å; E750-G753 PolarHBondContact O-N 3.11Å; E750-G753 VanDerWaalsContact O-N 3.13Å; A751-G753 VanDerWaalsContact C-N 3.34Å; G753-C756 PolarHBondContact O-N 2.9Å; G753-R757 WeakPolarHBondContact O-CG 3.43Å; G753-R757 PolarHBondContact O-N 3.33Å; G753-R757 PolarHBondContact O-NH1 3.14Å; G753-Y801 VanDerWaalsContact CA-CD2 3.49Å |
| 754 | I | 96.3 | Very high | 91 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -61.8 | -48.8 | 175.1 | -63.1 | 165.2 | 0 | 0 | 0 | 110.4 | L487 L490 S491 V494 L715 E750 A751 L752 C756 R757 I758 | L487-I754 WeakPolarHBondContact O-CD1 3.46Å; L490-I754 HydrophobicContact CB-CD1 4.43Å; S491-I754 WeakPolarHBondContact OG-CG1 3.19Å; V494-I754 HydrophobicContact CB-CG2 4.14Å; V494-I754 HydrophobicContact CG1-CG2 4.03Å; V494-I754 HydrophobicContact CG2-CG2 3.92Å; L715-I754 HydrophobicContact CD1-CB 4.45Å; L715-I754 HydrophobicContact CD1-CG2 3.59Å; L715-I754 HydrophobicContact CD2-CB 4.08Å; L715-I754 HydrophobicContact CD2-CD1 3.89Å; L715-I754 HydrophobicContact CD2-CG2 3.91Å; L715-I754 HydrophobicContact CG-CG2 4.42Å; E750-I754 HydrophobicContact CG-CD1 4.42Å; E750-I754 VanDerWaalsContact O-CG1 3.29Å; E750-I754 WeakPolarHBondContact O-CG1 3.42Å; E750-I754 PolarHBondContact O-N 3.2Å; A751-I754 PolarHBondContact O-N 3.08Å; L752-I754 PolarHBondContact O-N 3.32Å; I754-C756 PolarHBondContact O-N 3.45Å; I754-R757 PolarHBondContact O-N 3.45Å; I754-R757 VanDerWaalsContact O-N 3.17Å; I754-I758 HydrophobicContact CG2-CD1 3.85Å; I754-I758 HydrophobicContact CG2-CG1 4.31Å; I754-I758 WeakPolarHBondContact O-CG1 3.45Å; I754-I758 PolarHBondContact O-N 2.84Å |
| 755 | L | 96 | Very high | 90.5 | Very high | 1 Ų | 1 | 12.9 Ų | 12.9 | 1% | 0.005 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -58.1 | -45.4 | 177.5 | -73.9 | 179.4 | 0 | 0 | 0 | 112 | L708 L715 F716 S719 A751 L752 R757 I758 M759 F775 C778 | L708-L755 HydrophobicContact CD2-CD2 3.92Å; L715-L755 HydrophobicContact CB-CD1 4.47Å; L715-L755 HydrophobicContact CB-CD2 3.69Å; L715-L755 HydrophobicContact CB-CG 3.97Å; L715-L755 HydrophobicContact CD1-CD2 4.1Å; F716-L755 HydrophobicContact CD1-CD1 3.74Å; F716-L755 HydrophobicContact CD1-CD2 4.13Å; F716-L755 HydrophobicContact CE1-CD1 4.03Å; F716-L755 HydrophobicContact CE1-CD2 3.87Å; F716-L755 HydrophobicContact CZ-CD2 4.39Å; S719-L755 VanDerWaalsContact OG-CD1 3.29Å; S719-L755 WeakPolarHBondContact OG-CD1 3.42Å; A751-L755 PolarHBondContact O-N 3.15Å; L752-L755 PolarHBondContact O-N 2.85Å; L755-R757 PolarHBondContact O-N 3.27Å; L755-I758 PolarHBondContact O-N 2.83Å; L755-M759 WeakPolarHBondContact O-CB 3.47Å; L755-M759 WeakPolarHBondContact O-CG 3.29Å; L755-M759 PolarHBondContact O-N 2.85Å; L755-F775 HydrophobicContact CB-CD2 4.04Å; L755-F775 HydrophobicContact CB-CE2 4.01Å; L755-C778 HydrophobicContact CD1-CB 4.41Å |
| 756 | C | 95.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -55.9 | -48.5 | 174.4 | -72.6 | 0 | 0 | 0 | 0 | 111.6 | L752 G753 I754 M759 I760 | L752-C756 PolarHBondContact O-N 2.92Å; L752-C756 PolarHBondContact O-SG 2.95Å; L752-C756 VanDerWaalsContact O-SG 3.33Å; G753-C756 PolarHBondContact O-N 2.9Å; I754-C756 PolarHBondContact O-N 3.45Å; C756-M759 PolarHBondContact O-N 2.95Å; C756-I760 VanDerWaalsContact O-CB 3.28Å; C756-I760 WeakPolarHBondContact O-CB 3.33Å; C756-I760 WeakPolarHBondContact O-CD1 3.29Å; C756-I760 WeakPolarHBondContact O-CG1 3.43Å; C756-I760 PolarHBondContact O-N 3.29Å |
| 757 | R | 94 | Very high | 89.8 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -67.1 | -36.7 | -179.6 | -66.4 | -165.3 | -53.6 | -82.7 | 0.5 | 112.9 | S491 D495 L498 I500 G753 I754 L755 Y761 Y801 | S491-R757 PolarHBondContact OG-NH2 3.22Å; D495-R757 IonicContact OD1-CZ 3.35Å; D495-R757 VanDerWaalsContact OD1-CZ 3.27Å; D495-R757 IonicContact OD1-NE 2.9Å; D495-R757 PolarHBondContact OD1-NE 2.83Å; D495-R757 IonicContact OD1-NH2 2.71Å; D495-R757 PolarHBondContact OD1-NH2 2.86Å; D495-R757 IonicContact OD2-NE 2.66Å; L498-R757 HydrophobicContact CD1-CB 4.44Å; I500-R757 HydrophobicContact CD1-CB 4.36Å; G753-R757 WeakPolarHBondContact O-CG 3.43Å; G753-R757 PolarHBondContact O-N 3.33Å; G753-R757 PolarHBondContact O-NH1 3.14Å; I754-R757 PolarHBondContact O-N 3.45Å; I754-R757 VanDerWaalsContact O-N 3.17Å; L755-R757 PolarHBondContact O-N 3.27Å; R757-Y761 HydrophobicContact CB-CD2 3.98Å; R757-Y761 HydrophobicContact CB-CE2 4.31Å; R757-Y761 HydrophobicContact CG-CD2 4.21Å; R757-Y761 HydrophobicContact CG-CE2 4.02Å; R757-Y761 WeakPolarHBondContact O-CB 3.36Å; R757-Y761 WeakPolarHBondContact O-CD2 3.47Å; R757-Y761 PolarHBondContact O-N 2.77Å; R757-Y801 HydrophobicContact CG-CD1 4.32Å |
| 758 | I | 94.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.8 | -52.5 | 171.8 | -67.5 | 173 | 0 | 0 | 0 | 110.2 | V494 I704 L707 L708 L715 I754 L755 I760 A762 | V494-I758 HydrophobicContact CG1-CD1 4.06Å; V494-I758 HydrophobicContact CG1-CG1 3.57Å; V494-I758 HydrophobicContact CG2-CD1 4.3Å; I704-I758 HydrophobicContact CG2-CG2 4.25Å; L707-I758 HydrophobicContact CB-CD1 4.38Å; L707-I758 HydrophobicContact CB-CG2 4.13Å; L707-I758 HydrophobicContact CD1-CG1 4.21Å; L707-I758 HydrophobicContact CD1-CG2 4.13Å; L708-I758 HydrophobicContact CD2-CD1 4.28Å; L708-I758 HydrophobicContact CD2-CG2 4.1Å; L708-I758 HydrophobicContact CG-CG2 4.21Å; L715-I758 HydrophobicContact CD1-CD1 3.72Å; I754-I758 HydrophobicContact CG2-CD1 3.85Å; I754-I758 HydrophobicContact CG2-CG1 4.31Å; I754-I758 WeakPolarHBondContact O-CG1 3.45Å; I754-I758 PolarHBondContact O-N 2.84Å; L755-I758 PolarHBondContact O-N 2.83Å; I758-I760 VanDerWaalsContact C-N 3.29Å; I758-I760 PolarHBondContact O-N 2.78Å; I758-A762 HydrophobicContact CG2-CB 4.48Å; I758-A762 WeakPolarHBondContact O-CB 3.33Å; I758-A762 PolarHBondContact O-N 2.8Å; I758-A762 VanDerWaalsContact O-N 3.08Å |
| 759 | M | 93 | Very high | 89.6 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -68 | -28 | -174.4 | -66.5 | -62.2 | -71.9 | 0 | 0 | 113.3 | I704 L708 L755 C756 L767 L772 F775 V808 L810 | I704-M759 HydrophobicContact CG2-SD 3.73Å; L708-M759 HydrophobicContact CD1-SD 4.04Å; L755-M759 WeakPolarHBondContact O-CB 3.47Å; L755-M759 WeakPolarHBondContact O-CG 3.29Å; L755-M759 PolarHBondContact O-N 2.85Å; C756-M759 PolarHBondContact O-N 2.95Å; M759-L767 HydrophobicContact CE-CD2 3.96Å; M759-L772 HydrophobicContact CE-CD1 3.81Å; M759-F775 HydrophobicContact CB-CD1 4.45Å; M759-F775 HydrophobicContact CB-CE1 3.87Å; M759-F775 HydrophobicContact CB-CE2 4.25Å; M759-F775 HydrophobicContact CB-CZ 3.75Å; M759-F775 HydrophobicContact CE-CB 4.35Å; M759-F775 HydrophobicContact CE-CD1 3.57Å; M759-F775 HydrophobicContact CE-CE1 4.01Å; M759-F775 HydrophobicContact CE-CG 4.05Å; M759-F775 HydrophobicContact CG-CD1 3.84Å; M759-F775 HydrophobicContact CG-CD2 3.82Å; M759-F775 HydrophobicContact CG-CE1 3.73Å; M759-F775 HydrophobicContact CG-CE2 3.73Å; M759-F775 HydrophobicContact CG-CG 3.86Å; M759-F775 HydrophobicContact CG-CZ 3.66Å; M759-F775 HydrophobicContact SD-CD1 4.39Å; M759-F775 HydrophobicContact SD-CG 4.41Å; M759-V808 WeakPolarHBondContact O-CG1 3.33Å; M759-L810 HydrophobicContact CE-CD1 4.16Å; M759-L810 HydrophobicContact CE-CD2 4.26Å |
| 760 | I | 90.1 | Very high | 89.4 | Confident | 12 Ų | 12 | 40.3 Ų | 40.3 | 6% | 0.062 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -87.2 | -47.3 | -179.8 | -69.3 | 169.2 | 0 | 0 | 0 | 112.1 | C756 I758 Y801 D804 L805 V808 | C756-I760 VanDerWaalsContact O-CB 3.28Å; C756-I760 WeakPolarHBondContact O-CB 3.33Å; C756-I760 WeakPolarHBondContact O-CD1 3.29Å; C756-I760 WeakPolarHBondContact O-CG1 3.43Å; C756-I760 PolarHBondContact O-N 3.29Å; I758-I760 VanDerWaalsContact C-N 3.29Å; I758-I760 PolarHBondContact O-N 2.78Å; I760-Y801 WeakPolarHBondContact CD1-O 3.35Å; I760-D804 HydrophobicContact CD1-CB 4.28Å; I760-D804 HydrophobicContact CG2-CB 3.62Å; I760-L805 HydrophobicContact CD1-CB 4.21Å; I760-V808 HydrophobicContact CB-CG2 4.23Å; I760-V808 HydrophobicContact CG1-CG2 4.15Å; I760-V808 HydrophobicContact CG2-CG2 3.96Å |
| 761 | Y | 88.2 | Confident | 89.3 | Confident | 13 Ų | 13 | 42.2 Ų | 42.2 | 5% | 0.051 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -103.1 | -21.7 | -167 | -58.4 | -54 | 0 | 0 | 0 | 115 | I500 W688 I695 L697 R701 R757 | I500-Y761 HydrophobicContact CD1-CD2 3.64Å; I500-Y761 HydrophobicContact CD1-CE2 4.15Å; I500-Y761 HydrophobicContact CD1-CG 4.45Å; I500-Y761 HydrophobicContact CG1-CD2 4.3Å; W688-Y761 HydrophobicContact CH2-CE2 4.28Å; W688-Y761 HydrophobicContact CZ3-CE2 4.22Å; I695-Y761 VanDerWaalsContact CD1-OH 3.3Å; I695-Y761 WeakPolarHBondContact CD1-OH 3.41Å; I695-Y761 HydrophobicContact CG2-CE1 4.32Å; L697-Y761 HydrophobicContact CD1-CD1 3.94Å; L697-Y761 HydrophobicContact CD1-CG 4.41Å; L697-Y761 HydrophobicContact CD2-CD1 3.97Å; L697-Y761 HydrophobicContact CD2-CG 3.98Å; R701-Y761 WeakPolarHBondContact CD-O 3.48Å; R701-Y761 PolarHBondContact NE-O 3.03Å; R757-Y761 HydrophobicContact CB-CD2 3.98Å; R757-Y761 HydrophobicContact CB-CE2 4.31Å; R757-Y761 HydrophobicContact CG-CD2 4.21Å; R757-Y761 HydrophobicContact CG-CE2 4.02Å; R757-Y761 WeakPolarHBondContact O-CB 3.36Å; R757-Y761 WeakPolarHBondContact O-CD2 3.47Å; R757-Y761 PolarHBondContact O-N 2.77Å |
| 762 | A | 89 | Confident | 89.1 | Confident | 3 Ų | 3 | 42.9 Ų | 42.9 | 3% | 0.025 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -66.6 | 157.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112 | L498 I704 L707 I758 R764 | L498-A762 HydrophobicContact CD2-CB 3.63Å; I704-A762 HydrophobicContact CG1-CB 3.69Å; L707-A762 HydrophobicContact CD1-CB 3.97Å; I758-A762 HydrophobicContact CG2-CB 4.48Å; I758-A762 WeakPolarHBondContact O-CB 3.33Å; I758-A762 PolarHBondContact O-N 2.8Å; I758-A762 VanDerWaalsContact O-N 3.08Å; A762-R764 PolarHBondContact O-N 2.87Å |
| 763 | K | 84.5 | Confident | 88.7 | Confident | 68 Ų | 68 | 45.9 Ų | 45.9 | 30% | 0.296 | 22% | 0.22 | S | C | . | . | B | Isolated β-bridge | trans | -65.3 | 135.3 | 179.8 | -175.6 | -173.8 | 170 | -134.7 | 0 | 109.8 | R701 P702 E703 I704 | R701-K763 HydrophobicContact CG-CB 4.17Å; P702-K763 PolarHBondContact O-N 3Å; E703-K763 VanDerWaalsContact CA-O 3.29Å; E703-K763 WeakPolarHBondContact CA-O 3.42Å; E703-K763 HydrophobicContact CG-CB 4.22Å; E703-K763 HydrophobicContact CG-CD 4.08Å; E703-K763 HydrophobicContact CG-CG 4.3Å; E703-K763 IonicContact OE1-NZ 3.14Å; E703-K763 PolarHBondContact OE1-NZ 3.13Å; I704-K763 PolarHBondContact N-O 2.63Å |
| 764 | R | 77.3 | Confident | 88.5 | Confident | 93 Ų | 93 | 49.7 Ų | 49.7 | 35% | 0.351 | 23% | 0.234 | S | C | . | . | P | Polyproline II helix | trans | -86.6 | 121.4 | 178.4 | -58.7 | -158.7 | -159.1 | 154.7 | 24.7 | 111.7 | I704 A762 V808 D809 | I704-R764 HydrophobicContact CD1-CG 4.14Å; A762-R764 PolarHBondContact O-N 2.87Å; R764-V808 VanDerWaalsContact CZ-CG1 3.41Å; R764-V808 VanDerWaalsContact NH2-CA 3.31Å; R764-D809 VanDerWaalsContact NH1-C 3.34Å; R764-D809 VanDerWaalsContact NH1-N 3.12Å; R764-D809 PolarHBondContact NH1-O 3.37Å |
| 765 | G | 76.1 | Confident | 88.3 | Confident | 38 Ų | 38 | 49.8 Ų | 49.8 | 39% | 0.392 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -112.2 | -154.4 | 162.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | L767 | G765-L767 PolarHBondContact O-N 3.42Š|
| 766 | R | 79.7 | Confident | 88 | Confident | 239 Ų | 239 | 50.3 Ų | 50.3 | 90% | 0.902 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -71.1 | 94.1 | 167.2 | -79.2 | -174.6 | 174.6 | 178.6 | -1.6 | 109.9 | N705 A768 | N705-R766 PolarHBondContact ND2-O 3.27Å; R766-A768 PolarHBondContact O-N 2.94Å |
| 767 | L | 83.3 | Confident | 87.5 | Confident | 41 Ų | 41 | 50.7 Ų | 50.7 | 22% | 0.215 | 24% | 0.239 | C | C | . | . | trans | -63 | 130.9 | 178.3 | -177.2 | 61.6 | 0 | 0 | 0 | 111.2 | I704 M759 G765 L772 L810 | I704-L767 HydrophobicContact CB-CD1 4.03Å; I704-L767 HydrophobicContact CD1-CD1 4.31Å; I704-L767 HydrophobicContact CG2-CD1 3.45Å; I704-L767 VanDerWaalsContact CG2-CD1 3.45Å; M759-L767 HydrophobicContact CE-CD2 3.96Å; G765-L767 PolarHBondContact O-N 3.42Å; L767-L772 HydrophobicContact CD2-CB 4.16Å; L767-L772 HydrophobicContact CD2-CD1 3.88Å; L767-L772 HydrophobicContact CD2-CD2 4.14Å; L767-L772 HydrophobicContact CD2-CG 4.29Å; L767-L772 HydrophobicContact CG-CB 4.49Å; L767-L810 HydrophobicContact CD2-CD2 4.05Å | ||
| 768 | A | 89 | Confident | 87.3 | Confident | 35 Ų | 35 | 50.8 Ų | 50.8 | 29% | 0.289 | 24% | 0.24 | S | C | . | . | trans | -71.5 | 129.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | N705 R766 E770 Y771 L772 | N705-A768 PolarHBondContact OD1-N 3.33Å; R766-A768 PolarHBondContact O-N 2.94Å; A768-E770 PolarHBondContact O-N 2.86Å; A768-Y771 HydrophobicContact CB-CD2 3.83Å; A768-Y771 HydrophobicContact CB-CE2 4.37Å; A768-Y771 HydrophobicContact CB-CG 4.38Å; A768-Y771 PolarHBondContact O-N 2.81Å; A768-Y771 VanDerWaalsContact O-N 3.13Å; A768-L772 PolarHBondContact O-N 3.32Å | ||
| 769 | E | 86.9 | Confident | 87.1 | Confident | 162 Ų | 162 | 50.9 Ų | 50.9 | 76% | 0.757 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -60.3 | -32.2 | -177.8 | -63.7 | -176 | 170.2 | 0 | 0 | 112.7 | L772 T773 | E769-L772 PolarHBondContact O-N 3.1Å; E769-T773 WeakPolarHBondContact O-CB 3.3Å; E769-T773 PolarHBondContact O-N 2.59Å; E769-T773 PolarHBondContact O-OG1 2.88Å |
| 770 | E | 87.4 | Confident | 86.8 | Confident | 132 Ų | 132 | 51.2 Ų | 51.2 | 62% | 0.617 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -60.4 | -44.9 | 175.3 | -62.1 | -178.9 | -165.4 | 0 | 0 | 112.6 | A768 R774 | A768-E770 PolarHBondContact O-N 2.86Å; E770-R774 WeakPolarHBondContact O-CB 3.2Å; E770-R774 WeakPolarHBondContact O-CG 3.45Å; E770-R774 PolarHBondContact O-N 2.96Å |
| 771 | Y | 91.4 | Very high | 86.5 | Confident | 47 Ų | 47 | 51 Ų | 51 | 18% | 0.184 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.1 | -39.2 | 178.5 | -70.4 | -29.9 | 0 | 0 | 0 | 111.4 | L708 Q709 F716 A768 R774 F775 | L708-Y771 HydrophobicContact CB-CD1 4.26Å; L708-Y771 HydrophobicContact CB-CD2 3.82Å; L708-Y771 HydrophobicContact CB-CE1 4.26Å; L708-Y771 HydrophobicContact CB-CE2 3.84Å; L708-Y771 HydrophobicContact CB-CG 4.06Å; L708-Y771 HydrophobicContact CD1-CD2 4.03Å; L708-Y771 HydrophobicContact CD1-CG 3.89Å; Q709-Y771 WeakPolarHBondContact CA-OH 3.42Å; F716-Y771 AromaticContact CE2-CD1 3.71Å; F716-Y771 HydrophobicContact CE2-CD1 3.71Å; F716-Y771 HydrophobicContact CE2-CE1 4.38Å; F716-Y771 HydrophobicContact CE2-CG 4.44Å; F716-Y771 HydrophobicContact CZ-CD1 4.31Å; A768-Y771 HydrophobicContact CB-CD2 3.83Å; A768-Y771 HydrophobicContact CB-CE2 4.37Å; A768-Y771 HydrophobicContact CB-CG 4.38Å; A768-Y771 PolarHBondContact O-N 2.81Å; A768-Y771 VanDerWaalsContact O-N 3.13Å; Y771-R774 PolarHBondContact O-N 3.17Å; Y771-F775 WeakPolarHBondContact O-CB 3.43Å; Y771-F775 PolarHBondContact O-N 3.08Å |
| 772 | L | 89.9 | Confident | 86.4 | Confident | 14 Ų | 14 | 50.3 Ų | 50.3 | 7% | 0.073 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.3 | -44.3 | 176.5 | -171.7 | 55.4 | 0 | 0 | 0 | 111.5 | M759 L767 A768 E769 F775 Y776 L810 P811 | M759-L772 HydrophobicContact CE-CD1 3.81Å; L767-L772 HydrophobicContact CD2-CB 4.16Å; L767-L772 HydrophobicContact CD2-CD1 3.88Å; L767-L772 HydrophobicContact CD2-CD2 4.14Å; L767-L772 HydrophobicContact CD2-CG 4.29Å; L767-L772 HydrophobicContact CG-CB 4.49Å; A768-L772 PolarHBondContact O-N 3.32Å; E769-L772 PolarHBondContact O-N 3.1Å; L772-F775 PolarHBondContact O-N 3.34Å; L772-Y776 HydrophobicContact CD1-CD1 4.14Å; L772-Y776 HydrophobicContact CD1-CE1 3.42Å; L772-Y776 VanDerWaalsContact CD1-CE1 3.42Å; L772-Y776 HydrophobicContact CD1-CE2 3.91Å; L772-Y776 WeakPolarHBondContact CD1-OH 3.4Å; L772-Y776 HydrophobicContact CD2-CE2 4.33Å; L772-Y776 HydrophobicContact CG-CD2 4.35Å; L772-Y776 HydrophobicContact CG-CE1 4.21Å; L772-Y776 HydrophobicContact CG-CE2 3.79Å; L772-Y776 VanDerWaalsContact O-CG 3.32Å; L772-Y776 PolarHBondContact O-N 2.78Å; L772-L810 HydrophobicContact CD1-CB 4.45Å; L772-P811 HydrophobicContact CD2-CB 4.07Å; L772-P811 HydrophobicContact CD2-CG 4.26Å; L772-P811 WeakPolarHBondContact CD2-O 3.45Å |
| 773 | T | 87.3 | Confident | 86.4 | Confident | 65 Ų | 65 | 50.4 Ų | 50.4 | 40% | 0.399 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.6 | -46.3 | 176.8 | -56.3 | 0 | 0 | 0 | 0 | 111.5 | E769 F775 Y776 L777 | E769-T773 WeakPolarHBondContact O-CB 3.3Å; E769-T773 PolarHBondContact O-N 2.59Å; E769-T773 PolarHBondContact O-OG1 2.88Å; T773-F775 PolarHBondContact O-N 2.84Å; T773-Y776 PolarHBondContact O-N 3.2Å; T773-L777 HydrophobicContact CG2-CD1 4.27Å; T773-L777 WeakPolarHBondContact O-CG 3.41Å; T773-L777 PolarHBondContact O-N 2.87Å |
| 774 | R | 88.3 | Confident | 86.3 | Confident | 80 Ų | 80 | 48.2 Ų | 48.2 | 30% | 0.302 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -59.4 | -46.1 | 174.6 | -77.9 | 177.9 | 177.1 | 137.1 | 5.3 | 111.9 | F716 V731 E770 Y771 Y776 L777 C778 | F716-R774 HydrophobicContact CD1-CB 3.8Å; F716-R774 HydrophobicContact CD2-CB 4.06Å; F716-R774 HydrophobicContact CE1-CB 3.81Å; F716-R774 HydrophobicContact CE2-CB 4.08Å; F716-R774 HydrophobicContact CG-CB 3.94Å; F716-R774 HydrophobicContact CZ-CB 3.95Å; V731-R774 HydrophobicContact CG1-CG 3.49Å; V731-R774 VanDerWaalsContact CG1-CG 3.49Å; V731-R774 PolarHBondContact O-NE 3.39Å; E770-R774 WeakPolarHBondContact O-CB 3.2Å; E770-R774 WeakPolarHBondContact O-CG 3.45Å; E770-R774 PolarHBondContact O-N 2.96Å; Y771-R774 PolarHBondContact O-N 3.17Å; R774-Y776 PolarHBondContact O-N 3.49Å; R774-L777 PolarHBondContact O-N 3Å; R774-C778 PolarHBondContact O-N 3.27Å; R774-C778 PolarHBondContact O-SG 3.41Å |
| 775 | F | 92.1 | Very high | 86.3 | Confident | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.009 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60 | -43.8 | 177.7 | 175.3 | -118.6 | 0 | 0 | 0 | 112.5 | F716 L755 M759 Y771 L772 T773 C778 L779 L805 L810 | F716-F775 HydrophobicContact CE1-CB 3.96Å; L755-F775 HydrophobicContact CB-CD2 4.04Å; L755-F775 HydrophobicContact CB-CE2 4.01Å; M759-F775 HydrophobicContact CB-CD1 4.45Å; M759-F775 HydrophobicContact CB-CE1 3.87Å; M759-F775 HydrophobicContact CB-CE2 4.25Å; M759-F775 HydrophobicContact CB-CZ 3.75Å; M759-F775 HydrophobicContact CE-CB 4.35Å; M759-F775 HydrophobicContact CE-CD1 3.57Å; M759-F775 HydrophobicContact CE-CE1 4.01Å; M759-F775 HydrophobicContact CE-CG 4.05Å; M759-F775 HydrophobicContact CG-CD1 3.84Å; M759-F775 HydrophobicContact CG-CD2 3.82Å; M759-F775 HydrophobicContact CG-CE1 3.73Å; M759-F775 HydrophobicContact CG-CE2 3.73Å; M759-F775 HydrophobicContact CG-CG 3.86Å; M759-F775 HydrophobicContact CG-CZ 3.66Å; M759-F775 HydrophobicContact SD-CD1 4.39Å; M759-F775 HydrophobicContact SD-CG 4.41Å; Y771-F775 WeakPolarHBondContact O-CB 3.43Å; Y771-F775 PolarHBondContact O-N 3.08Å; L772-F775 PolarHBondContact O-N 3.34Å; T773-F775 PolarHBondContact O-N 2.84Å; F775-C778 PolarHBondContact O-N 3.5Å; F775-L779 HydrophobicContact CD1-CD1 4.27Å; F775-L779 HydrophobicContact CD2-CD1 4.44Å; F775-L779 HydrophobicContact CD2-CG 4.39Å; F775-L779 HydrophobicContact CE1-CD1 3.63Å; F775-L779 HydrophobicContact CE2-CD1 3.81Å; F775-L779 HydrophobicContact CE2-CD2 4.47Å; F775-L779 HydrophobicContact CE2-CG 3.93Å; F775-L779 HydrophobicContact CZ-CD1 3.38Å; F775-L779 HydrophobicContact CZ-CG 4.04Å; F775-L779 PolarHBondContact O-N 2.91Å; F775-L805 HydrophobicContact CE1-CD1 3.74Å; F775-L805 HydrophobicContact CZ-CD1 3.8Å; F775-L810 HydrophobicContact CE1-CD1 4.22Å |
| 776 | Y | 90.5 | Very high | 86.1 | Confident | 11 Ų | 11 | 48 Ų | 48 | 4% | 0.043 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.4 | -37.9 | 177.4 | -68.3 | -9 | 0 | 0 | 0 | 112.7 | L772 T773 R774 Y780 L810 P811 I813 L816 L870 | L772-Y776 HydrophobicContact CD1-CD1 4.14Å; L772-Y776 HydrophobicContact CD1-CE1 3.42Å; L772-Y776 VanDerWaalsContact CD1-CE1 3.42Å; L772-Y776 HydrophobicContact CD1-CE2 3.91Å; L772-Y776 WeakPolarHBondContact CD1-OH 3.4Å; L772-Y776 HydrophobicContact CD2-CE2 4.33Å; L772-Y776 HydrophobicContact CG-CD2 4.35Å; L772-Y776 HydrophobicContact CG-CE1 4.21Å; L772-Y776 HydrophobicContact CG-CE2 3.79Å; L772-Y776 VanDerWaalsContact O-CG 3.32Å; L772-Y776 PolarHBondContact O-N 2.78Å; T773-Y776 PolarHBondContact O-N 3.2Å; R774-Y776 PolarHBondContact O-N 3.49Å; Y776-Y780 VanDerWaalsContact O-CB 3.27Å; Y776-Y780 WeakPolarHBondContact O-CB 3.18Å; Y776-Y780 PolarHBondContact O-N 3.49Å; Y776-L810 VanDerWaalsContact OH-CB 3.31Å; Y776-L810 WeakPolarHBondContact OH-CB 3.46Å; Y776-L810 PolarHBondContact OH-O 3.24Å; Y776-P811 WeakPolarHBondContact CE2-O 3.47Å; Y776-P811 PolarHBondContact OH-O 2.63Å; Y776-I813 HydrophobicContact CD1-CD1 4.13Å; Y776-I813 HydrophobicContact CE1-CB 4.46Å; Y776-I813 HydrophobicContact CE1-CD1 3.39Å; Y776-I813 VanDerWaalsContact OH-CA 3.28Å; Y776-I813 WeakPolarHBondContact OH-CA 3.42Å; Y776-I813 WeakPolarHBondContact OH-CB 3.46Å; Y776-I813 PolarHBondContact OH-N 2.85Å; Y776-I813 VanDerWaalsContact OH-N 3.08Å; Y776-L816 HydrophobicContact CD1-CD1 3.93Å; Y776-L816 HydrophobicContact CG-CD1 4.32Å; Y776-L870 HydrophobicContact CD2-CD1 4.5Å |
| 777 | L | 86.2 | Confident | 85.2 | Confident | 9 Ų | 9 | 42.8 Ų | 42.8 | 5% | 0.047 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.6 | -46.7 | 171.8 | -68.9 | 166.2 | 0 | 0 | 0 | 111.4 | V731 I732 T773 R774 L779 Y780 Y781 L870 I871 | V731-L777 HydrophobicContact CB-CD1 4.03Å; V731-L777 HydrophobicContact CG1-CD1 3.61Å; I732-L777 HydrophobicContact CD1-CB 4.07Å; I732-L777 HydrophobicContact CD1-CD1 4.19Å; I732-L777 HydrophobicContact CG1-CD1 4.47Å; T773-L777 HydrophobicContact CG2-CD1 4.27Å; T773-L777 WeakPolarHBondContact O-CG 3.41Å; T773-L777 PolarHBondContact O-N 2.87Å; R774-L777 PolarHBondContact O-N 3Å; L777-L779 VanDerWaalsContact C-N 3.35Å; L777-L779 PolarHBondContact O-N 3.43Å; L777-Y780 PolarHBondContact O-N 3.3Å; L777-Y781 HydrophobicContact CB-CE2 4.46Å; L777-Y781 HydrophobicContact CD2-CE2 4.42Å; L777-Y781 WeakPolarHBondContact O-CD2 3.44Å; L777-Y781 PolarHBondContact O-N 2.81Å; L777-Y781 VanDerWaalsContact O-N 3.09Å; L777-L870 HydrophobicContact CD2-CD2 3.58Å; L777-L870 HydrophobicContact CG-CD2 4.1Å; L777-I871 HydrophobicContact CD2-CD1 3.66Å; L777-I871 HydrophobicContact CD2-CG1 3.77Å |
| 778 | C | 89.1 | Confident | 84.3 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.014 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -56.7 | -46.3 | 176.8 | -67.3 | 0 | 0 | 0 | 0 | 112.2 | I720 L752 L755 R774 F775 A782 | I720-C778 HydrophobicContact CG2-CB 4.34Å; L752-C778 HydrophobicContact CD2-CB 4.2Å; L755-C778 HydrophobicContact CD1-CB 4.41Å; R774-C778 PolarHBondContact O-N 3.27Å; R774-C778 PolarHBondContact O-SG 3.41Å; F775-C778 PolarHBondContact O-N 3.5Å; C778-A782 WeakPolarHBondContact O-CB 3.21Å; C778-A782 PolarHBondContact O-N 3.06Å; C778-A782 VanDerWaalsContact O-N 3.09Å |
| 779 | L | 90.2 | Very high | 82.9 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.2 | -41.8 | 175.5 | -78.2 | -179.9 | 0 | 0 | 0 | 112.8 | F775 L777 Y781 A782 L783 V798 L805 L816 | F775-L779 HydrophobicContact CD1-CD1 4.27Å; F775-L779 HydrophobicContact CD2-CD1 4.44Å; F775-L779 HydrophobicContact CD2-CG 4.39Å; F775-L779 HydrophobicContact CE1-CD1 3.63Å; F775-L779 HydrophobicContact CE2-CD1 3.81Å; F775-L779 HydrophobicContact CE2-CD2 4.47Å; F775-L779 HydrophobicContact CE2-CG 3.93Å; F775-L779 HydrophobicContact CZ-CD1 3.38Å; F775-L779 HydrophobicContact CZ-CG 4.04Å; F775-L779 PolarHBondContact O-N 2.91Å; L777-L779 VanDerWaalsContact C-N 3.35Å; L777-L779 PolarHBondContact O-N 3.43Å; L779-Y781 VanDerWaalsContact C-N 3.3Å; L779-Y781 PolarHBondContact O-N 3.45Å; L779-A782 PolarHBondContact O-N 3.14Å; L779-L783 HydrophobicContact CB-CD1 4.49Å; L779-L783 WeakPolarHBondContact O-CB 3.25Å; L779-L783 WeakPolarHBondContact O-CG 3.28Å; L779-L783 PolarHBondContact O-N 3.28Å; L779-V798 HydrophobicContact CD2-CG1 3.91Å; L779-L805 HydrophobicContact CD1-CD1 4.3Å; L779-L805 HydrophobicContact CD1-CD2 3.54Å; L779-L816 HydrophobicContact CB-CD1 3.81Å; L779-L816 HydrophobicContact CD1-CD1 3.71Å; L779-L816 HydrophobicContact CG-CD1 4.46Å |
| 780 | Y | 86.6 | Confident | 82 | Confident | 9 Ų | 9 | 41.4 Ų | 41.4 | 4% | 0.035 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -55.6 | -45.7 | 178 | 178.2 | -86.6 | 0 | 0 | 0 | 111.4 | Y776 L777 I784 R819 I871 L873 | Y776-Y780 VanDerWaalsContact O-CB 3.27Å; Y776-Y780 WeakPolarHBondContact O-CB 3.18Å; Y776-Y780 PolarHBondContact O-N 3.49Å; L777-Y780 PolarHBondContact O-N 3.3Å; Y780-I784 WeakPolarHBondContact O-CG1 3.29Å; Y780-R819 HydrophobicContact CD2-CG 3.79Å; Y780-R819 HydrophobicContact CE2-CG 3.87Å; Y780-R819 PolarHBondContact OH-NH2 2.88Å; Y780-I871 HydrophobicContact CD1-CD1 3.3Å; Y780-I871 HydrophobicContact CD2-CD1 4.48Å; Y780-I871 HydrophobicContact CE1-CD1 3.37Å; Y780-I871 HydrophobicContact CG-CD1 3.9Å; Y780-L873 HydrophobicContact CE1-CD1 3.99Å; Y780-L873 VanDerWaalsContact OH-CD1 3.23Å; Y780-L873 WeakPolarHBondContact OH-CD1 3.41Å |
| 781 | Y | 83.5 | Confident | 81.6 | Confident | 6 Ų | 6 | 35.8 Ų | 35.8 | 2% | 0.024 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -77.3 | -16.5 | 177.2 | -65.5 | -63.5 | 0 | 0 | 0 | 114.6 | I720 V723 L727 I732 R748 L777 L779 I784 I871 | I720-Y781 HydrophobicContact CG2-CD2 4.06Å; V723-Y781 HydrophobicContact CG1-CD1 3.58Å; V723-Y781 HydrophobicContact CG1-CE1 4.07Å; V723-Y781 HydrophobicContact CG1-CG 3.93Å; V723-Y781 HydrophobicContact CG2-CG 4.4Å; L727-Y781 HydrophobicContact CD1-CE1 4.13Å; L727-Y781 HydrophobicContact CD1-CE2 4.47Å; L727-Y781 VanDerWaalsContact CD1-OH 3.25Å; L727-Y781 WeakPolarHBondContact CD1-OH 3.41Å; L727-Y781 HydrophobicContact CD2-CE2 3.98Å; L727-Y781 WeakPolarHBondContact CD2-OH 3.33Å; L727-Y781 VanDerWaalsContact CG-OH 3.3Å; L727-Y781 WeakPolarHBondContact CG-OH 3.41Å; I732-Y781 HydrophobicContact CD1-CE2 4.13Å; R748-Y781 PolarHBondContact NH2-O 3.37Å; L777-Y781 HydrophobicContact CB-CE2 4.46Å; L777-Y781 HydrophobicContact CD2-CE2 4.42Å; L777-Y781 WeakPolarHBondContact O-CD2 3.44Å; L777-Y781 PolarHBondContact O-N 2.81Å; L777-Y781 VanDerWaalsContact O-N 3.09Å; L779-Y781 VanDerWaalsContact C-N 3.3Å; L779-Y781 PolarHBondContact O-N 3.45Å; Y781-I784 HydrophobicContact CD1-CD1 3.79Å; Y781-I871 HydrophobicContact CE1-CD1 4.25Å; Y781-I871 HydrophobicContact CE2-CD1 4.02Å; Y781-I871 VanDerWaalsContact OH-CD1 3.23Å; Y781-I871 WeakPolarHBondContact OH-CD1 3.29Å |
| 782 | A | 87.2 | Confident | 81.4 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -83.3 | -27.9 | 173 | 0 | 0 | 0 | 0 | 0 | 112.7 | L752 C778 L779 I794 L795 V798 | L752-A782 HydrophobicContact CD1-CB 3.54Å; L752-A782 HydrophobicContact CD2-CB 3.82Å; L752-A782 HydrophobicContact CG-CB 4.33Å; C778-A782 WeakPolarHBondContact O-CB 3.21Å; C778-A782 PolarHBondContact O-N 3.06Å; C778-A782 VanDerWaalsContact O-N 3.09Å; L779-A782 PolarHBondContact O-N 3.14Å; A782-I794 HydrophobicContact CB-CG2 4.1Å; A782-L795 WeakPolarHBondContact O-CD2 3.03Å; A782-V798 HydrophobicContact CB-CG2 4.17Å |
| 783 | L | 87.9 | Confident | 81.3 | Confident | 4 Ų | 4 | 33.7 Ų | 33.7 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -95.9 | 14 | -179.8 | -64.4 | 167.8 | 0 | 0 | 0 | 113.1 | L779 V785 L795 V798 L799 R819 I820 A823 | L779-L783 HydrophobicContact CB-CD1 4.49Å; L779-L783 WeakPolarHBondContact O-CB 3.25Å; L779-L783 WeakPolarHBondContact O-CG 3.28Å; L779-L783 PolarHBondContact O-N 3.28Å; L783-V785 PolarHBondContact O-N 3.29Å; L783-L795 HydrophobicContact CD2-CD2 4.47Å; L783-V798 HydrophobicContact CD2-CG1 4Å; L783-V798 HydrophobicContact CG-CG1 4.45Å; L783-L799 HydrophobicContact CD2-CD2 4.28Å; L783-R819 HydrophobicContact CB-CB 3.87Å; L783-R819 HydrophobicContact CD1-CB 4.35Å; L783-I820 HydrophobicContact CD1-CG1 3.56Å; L783-A823 HydrophobicContact CD2-CB 3.85Å |
| 784 | I | 82.1 | Confident | 81.5 | Confident | 23 Ų | 23 | 30.6 Ų | 30.6 | 12% | 0.118 | 17% | 0.165 | C | C | . | . | trans | -72.3 | 122 | 166.4 | -66.3 | 177.6 | 0 | 0 | 0 | 107.1 | Y780 Y781 N791 | Y780-I784 WeakPolarHBondContact O-CG1 3.29Å; Y781-I784 HydrophobicContact CD1-CD1 3.79Å; I784-N791 PolarHBondContact O-ND2 3.06Å | ||
| 785 | V | 77.2 | Confident | 81.6 | Confident | 61 Ų | 61 | 26.8 Ų | 26.8 | 37% | 0.37 | 15% | 0.151 | S | C | . | . | trans | -77.5 | 122.6 | 165.9 | -176.4 | 0 | 0 | 0 | 0 | 107.3 | L783 L795 H826 | L783-V785 PolarHBondContact O-N 3.29Å; V785-L795 HydrophobicContact CG2-CD1 4.44Å; V785-H826 HydrophobicContact CG1-CB 4.23Å; V785-H826 HydrophobicContact CG2-CB 4.07Å | ||
| 786 | D | 71.7 | Confident | 81.6 | Confident | 65 Ų | 65 | 26.8 Ų | 26.8 | 35% | 0.348 | 15% | 0.151 | S | C | . | . | trans | -124.1 | 133.8 | 179.4 | -176 | -56.5 | 0 | 0 | 0 | 106.8 | T788 N791 | D786-T788 VanDerWaalsContact CG-OG1 3.31Å; D786-T788 PolarHBondContact O-N 2.96Å; D786-T788 VanDerWaalsContact OD1-CB 3.31Å; D786-T788 WeakPolarHBondContact OD1-CB 3.49Å; D786-T788 WeakPolarHBondContact OD1-CG2 3.03Å; D786-T788 PolarHBondContact OD1-N 2.89Å; D786-T788 PolarHBondContact OD1-OG1 3.23Å; D786-N791 HydrophobicContact CB-CB 4.33Å; D786-N791 WeakPolarHBondContact CB-ND2 3.2Å | ||
| 787 | P | 62.1 | Low | 81.7 | Confident | 129 Ų | 129 | 26.4 Ų | 26.4 | 84% | 0.838 | 15% | 0.15 | S | C | * | . | S | Bend | trans | -64 | -7.6 | -178.4 | 27.3 | -36.2 | 0 | 0 | 0 | 113.8 | V789 | P787-V789 PolarHBondContact O-N 3.33Š|
| 788 | T | 63.4 | Low | 82.1 | Confident | 66 Ų | 66 | 26 Ų | 26 | 41% | 0.405 | 15% | 0.148 | S | C | . | . | S | Bend | trans | -72.8 | 106.4 | 168.8 | 57.7 | 0 | 0 | 0 | 0 | 111.1 | D786 K790 N791 | D786-T788 VanDerWaalsContact CG-OG1 3.31Å; D786-T788 PolarHBondContact O-N 2.96Å; D786-T788 VanDerWaalsContact OD1-CB 3.31Å; D786-T788 WeakPolarHBondContact OD1-CB 3.49Å; D786-T788 WeakPolarHBondContact OD1-CG2 3.03Å; D786-T788 PolarHBondContact OD1-N 2.89Å; D786-T788 PolarHBondContact OD1-OG1 3.23Å; T788-K790 PolarHBondContact O-N 3.47Å; T788-N791 PolarHBondContact O-N 3Å |
| 789 | V | 60.8 | Low | 82.3 | Confident | 69 Ų | 69 | 26 Ų | 26 | 42% | 0.418 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -35.9 | -23.6 | 174.9 | 167 | 0 | 0 | 0 | 0 | 116.3 | P787 N791 N833 M834 | P787-V789 PolarHBondContact O-N 3.33Å; V789-N791 VanDerWaalsContact C-N 3.33Å; V789-N791 PolarHBondContact O-N 3.38Å; V789-N833 HydrophobicContact CG1-CB 3.54Å; V789-N833 HydrophobicContact CG2-CB 4.42Å; V789-M834 HydrophobicContact CG1-CB 4.34Å; V789-M834 HydrophobicContact CG1-CE 4.2Å; V789-M834 VanDerWaalsContact O-CB 3.31Å; V789-M834 WeakPolarHBondContact O-CB 3.45Å |
| 790 | K | 67.6 | Low | 82.5 | Confident | 74 Ų | 74 | 26 Ų | 26 | 32% | 0.322 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -26.7 | 176.9 | -65.5 | -168.2 | 169.5 | -166.8 | 0 | 114.3 | N742 L745 T788 D792 M834 | N742-K790 HydrophobicContact CB-CD 4.46Å; N742-K790 PolarHBondContact O-NZ 2.9Å; L745-K790 HydrophobicContact CD1-CB 3.71Å; L745-K790 HydrophobicContact CD1-CD 3.72Å; L745-K790 HydrophobicContact CD1-CG 4.25Å; L745-K790 HydrophobicContact CD2-CB 4.39Å; T788-K790 PolarHBondContact O-N 3.47Å; K790-D792 VanDerWaalsContact C-N 3.34Å; K790-M834 HydrophobicContact CB-CE 4.36Å; K790-M834 HydrophobicContact CG-CE 3.82Å |
| 791 | N | 79.4 | Confident | 82.8 | Confident | 15 Ų | 15 | 25.6 Ų | 25.6 | 8% | 0.08 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -23.9 | -174.7 | -159.9 | 17.3 | 0 | 0 | 0 | 112.7 | I784 D786 T788 V789 Y793 I794 L795 | I784-N791 PolarHBondContact O-ND2 3.06Å; D786-N791 HydrophobicContact CB-CB 4.33Å; D786-N791 WeakPolarHBondContact CB-ND2 3.2Å; T788-N791 PolarHBondContact O-N 3Å; V789-N791 VanDerWaalsContact C-N 3.33Å; V789-N791 PolarHBondContact O-N 3.38Å; N791-Y793 PolarHBondContact O-N 3.31Å; N791-Y793 VanDerWaalsContact O-N 3.08Å; N791-I794 PolarHBondContact O-N 2.9Å; N791-L795 PolarHBondContact O-N 3.34Å; N791-L795 VanDerWaalsContact O-N 3.07Å |
| 792 | D | 85.7 | Confident | 83.2 | Confident | 9 Ų | 9 | 25.5 Ų | 25.5 | 5% | 0.048 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -48 | -37.9 | 171.5 | -70.9 | -8.5 | 0 | 0 | 0 | 112.2 | K790 I794 L795 C796 H826 I832 N833 M834 | K790-D792 VanDerWaalsContact C-N 3.34Å; D792-I794 PolarHBondContact O-N 3.13Å; D792-L795 PolarHBondContact O-N 3.25Å; D792-C796 WeakPolarHBondContact O-CB 3.47Å; D792-C796 PolarHBondContact O-N 2.91Å; D792-C796 PolarHBondContact O-SG 3.06Å; D792-H826 IonicContact OD1-CD2 2.7Å; D792-H826 IonicContact OD1-NE2 2.73Å; D792-H826 PolarHBondContact OD1-NE2 3.45Å; D792-I832 HydrophobicContact CB-CG2 4.42Å; D792-N833 PolarHBondContact OD2-N 3.33Å; D792-M834 CarbonylContact C-O 3.58Å; D792-M834 VanDerWaalsContact C-O 3.3Å; D792-M834 HydrophobicContact CB-CB 4.25Å; D792-M834 VanDerWaalsContact CB-O 3.31Å; D792-M834 WeakPolarHBondContact CB-O 3.35Å |
| 793 | Y | 89.3 | Confident | 83.2 | Confident | 7 Ų | 7 | 26.1 Ų | 26.1 | 3% | 0.027 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.4 | -40.3 | -179.2 | -173.5 | -91.9 | 0 | 0 | 0 | 112.5 | L518 V746 A749 N791 L797 M834 P836 | L518-Y793 HydrophobicContact CD1-CD1 4.05Å; L518-Y793 HydrophobicContact CD1-CD2 3.48Å; L518-Y793 VanDerWaalsContact CD1-CD2 3.48Å; L518-Y793 HydrophobicContact CD1-CE1 4.18Å; L518-Y793 HydrophobicContact CD1-CE2 3.63Å; L518-Y793 HydrophobicContact CD1-CG 3.71Å; V746-Y793 HydrophobicContact CG1-CE1 4.3Å; V746-Y793 HydrophobicContact CG2-CE1 4.47Å; A749-Y793 HydrophobicContact CB-CD1 4.12Å; A749-Y793 HydrophobicContact CB-CE1 4.01Å; N791-Y793 PolarHBondContact O-N 3.31Å; N791-Y793 VanDerWaalsContact O-N 3.08Å; Y793-L797 HydrophobicContact CD1-CD1 4.13Å; Y793-L797 HydrophobicContact CE1-CD1 3.46Å; Y793-L797 VanDerWaalsContact CE1-CD1 3.46Å; Y793-L797 PolarHBondContact O-N 3.1Å; Y793-M834 WeakPolarHBondContact CA-O 3.41Å; Y793-M834 PolarHBondContact N-O 2.87Å; Y793-M834 VanDerWaalsContact N-O 3.11Å; Y793-P836 HydrophobicContact CD2-CG 4.22Å; Y793-P836 HydrophobicContact CE2-CB 4.19Å; Y793-P836 HydrophobicContact CE2-CG 3.71Å |
| 794 | I | 90 | Very high | 83.1 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -67.5 | -48.6 | 173.6 | -69.6 | -178.1 | 0 | 0 | 0 | 109.3 | L745 R748 A749 L752 A782 N791 D792 C796 L797 V798 | L745-I794 HydrophobicContact CD2-CD1 3.76Å; L745-I794 HydrophobicContact CD2-CG1 4.13Å; R748-I794 HydrophobicContact CB-CD1 4.47Å; R748-I794 HydrophobicContact CG-CD1 4.08Å; A749-I794 HydrophobicContact CB-CG1 4.03Å; L752-I794 HydrophobicContact CD1-CG2 3.84Å; A782-I794 HydrophobicContact CB-CG2 4.1Å; N791-I794 PolarHBondContact O-N 2.9Å; D792-I794 PolarHBondContact O-N 3.13Å; I794-C796 VanDerWaalsContact C-N 3.31Å; I794-C796 PolarHBondContact O-N 3.04Å; I794-L797 PolarHBondContact O-N 3.14Å; I794-V798 HydrophobicContact CG2-CG2 3.79Å; I794-V798 WeakPolarHBondContact O-CB 3.09Å; I794-V798 VanDerWaalsContact O-CG2 3.27Å; I794-V798 WeakPolarHBondContact O-CG2 3.49Å; I794-V798 PolarHBondContact O-N 3.28Å |
| 795 | L | 91.1 | Very high | 83.5 | Confident | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -56.9 | -44.2 | -179.1 | -64.8 | 174 | 0 | 0 | 0 | 111.7 | A782 L783 V785 N791 D792 L799 A823 I827 | A782-L795 WeakPolarHBondContact O-CD2 3.03Å; L783-L795 HydrophobicContact CD2-CD2 4.47Å; V785-L795 HydrophobicContact CG2-CD1 4.44Å; N791-L795 PolarHBondContact O-N 3.34Å; N791-L795 VanDerWaalsContact O-N 3.07Å; D792-L795 PolarHBondContact O-N 3.25Å; L795-L799 WeakPolarHBondContact O-CB 3.4Å; L795-L799 WeakPolarHBondContact O-CG 3.36Å; L795-L799 PolarHBondContact O-N 3.49Å; L795-A823 HydrophobicContact CD2-CB 3.97Å; L795-I827 HydrophobicContact CB-CD1 4.14Å |
| 796 | C | 92.6 | Very high | 83.9 | Confident | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.007 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -57.1 | -53.4 | 176 | -70.5 | 0 | 0 | 0 | 0 | 112.3 | D792 I794 F800 V844 | D792-C796 WeakPolarHBondContact O-CB 3.47Å; D792-C796 PolarHBondContact O-N 2.91Å; D792-C796 PolarHBondContact O-SG 3.06Å; I794-C796 VanDerWaalsContact C-N 3.31Å; I794-C796 PolarHBondContact O-N 3.04Å; C796-F800 WeakPolarHBondContact O-CB 3.45Å; C796-F800 PolarHBondContact O-N 3.01Å; C796-V844 HydrophobicContact CB-CG1 4.23Å; C796-V844 HydrophobicContact CB-CG2 4.35Å |
| 797 | L | 92.8 | Very high | 84.6 | Confident | 4 Ų | 4 | 21 Ų | 21 | 2% | 0.021 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -70.9 | -38 | -177.1 | -76 | 175.3 | 0 | 0 | 0 | 112.6 | A749 Y793 I794 F800 Y801 P836 F838 L839 | A749-L797 HydrophobicContact CB-CD1 3.72Å; Y793-L797 HydrophobicContact CD1-CD1 4.13Å; Y793-L797 HydrophobicContact CE1-CD1 3.46Å; Y793-L797 VanDerWaalsContact CE1-CD1 3.46Å; Y793-L797 PolarHBondContact O-N 3.1Å; I794-L797 PolarHBondContact O-N 3.14Å; L797-F800 PolarHBondContact O-N 2.85Å; L797-Y801 HydrophobicContact CB-CD2 4.39Å; L797-Y801 HydrophobicContact CB-CE2 4.41Å; L797-Y801 HydrophobicContact CD2-CE2 3.87Å; L797-Y801 WeakPolarHBondContact O-CB 3.27Å; L797-Y801 WeakPolarHBondContact O-CD2 3.4Å; L797-Y801 PolarHBondContact O-N 3.37Å; L797-P836 HydrophobicContact CD1-CG 4.09Å; L797-P836 HydrophobicContact CD2-CB 4.46Å; L797-P836 HydrophobicContact CD2-CG 3.54Å; L797-P836 HydrophobicContact CG-CG 3.61Å; L797-F838 HydrophobicContact CD2-CZ 4.1Å; L797-L839 HydrophobicContact CD2-CD1 4.47Å |
| 798 | V | 93.8 | Very high | 85.5 | Confident | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -64.1 | -51.2 | 177.1 | 171 | 0 | 0 | 0 | 0 | 110.1 | L752 L779 A782 L783 I794 F800 Y801 S802 | L752-V798 HydrophobicContact CB-CG2 3.96Å; L752-V798 HydrophobicContact CD1-CG2 4.01Å; L752-V798 HydrophobicContact CG-CG2 4.5Å; L779-V798 HydrophobicContact CD2-CG1 3.91Å; A782-V798 HydrophobicContact CB-CG2 4.17Å; L783-V798 HydrophobicContact CD2-CG1 4Å; L783-V798 HydrophobicContact CG-CG1 4.45Å; I794-V798 HydrophobicContact CG2-CG2 3.79Å; I794-V798 WeakPolarHBondContact O-CB 3.09Å; I794-V798 VanDerWaalsContact O-CG2 3.27Å; I794-V798 WeakPolarHBondContact O-CG2 3.49Å; I794-V798 PolarHBondContact O-N 3.28Å; V798-F800 VanDerWaalsContact C-N 3.3Å; V798-F800 PolarHBondContact O-N 2.97Å; V798-Y801 PolarHBondContact O-N 3.35Å; V798-S802 WeakPolarHBondContact O-CB 3.41Å; V798-S802 PolarHBondContact O-N 3.06Å; V798-S802 PolarHBondContact O-OG 3.35Å |
| 799 | L | 93.6 | Very high | 86.3 | Confident | 1 Ų | 1 | 13.9 Ų | 13.9 | 1% | 0.005 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -64.7 | -34.8 | 179.9 | -69.4 | 168.2 | 0 | 0 | 0 | 112.4 | L783 L795 S802 I803 I820 A823 I827 Q851 | L783-L799 HydrophobicContact CD2-CD2 4.28Å; L795-L799 WeakPolarHBondContact O-CB 3.4Å; L795-L799 WeakPolarHBondContact O-CG 3.36Å; L795-L799 PolarHBondContact O-N 3.49Å; L799-S802 WeakPolarHBondContact CA-OG 3.39Å; L799-I803 PolarHBondContact O-N 3.1Å; L799-I820 HydrophobicContact CD2-CG2 4.39Å; L799-A823 HydrophobicContact CD1-CB 4.09Å; L799-A823 HydrophobicContact CD2-CB 4.48Å; L799-I827 HydrophobicContact CD1-CD1 3.41Å; L799-I827 VanDerWaalsContact CD1-CD1 3.41Å; L799-Q851 HydrophobicContact CD2-CG 3.98Å |
| 800 | F | 94.2 | Very high | 87.6 | Confident | 1 Ų | 1 | 10.9 Ų | 10.9 | 0% | 0.004 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -63.6 | -55 | 173.6 | 177.7 | -92.2 | 0 | 0 | 0 | 112.4 | L504 A685 W688 L689 C796 L797 V798 S802 L839 | L504-F800 HydrophobicContact CD1-CE1 3.44Å; L504-F800 VanDerWaalsContact CD1-CE1 3.44Å; L504-F800 HydrophobicContact CD1-CZ 3.63Å; A685-F800 HydrophobicContact CB-CE2 3.83Å; A685-F800 HydrophobicContact CB-CZ 3.78Å; W688-F800 HydrophobicContact CB-CZ 4.32Å; W688-F800 HydrophobicContact CE3-CE1 4.34Å; W688-F800 HydrophobicContact CE3-CZ 4.43Å; L689-F800 HydrophobicContact CD1-CD2 3.82Å; L689-F800 HydrophobicContact CD1-CE2 3.74Å; L689-F800 HydrophobicContact CD2-CD2 4.17Å; L689-F800 HydrophobicContact CD2-CE2 4.19Å; L689-F800 HydrophobicContact CG-CD2 4.14Å; L689-F800 HydrophobicContact CG-CE2 3.79Å; C796-F800 WeakPolarHBondContact O-CB 3.45Å; C796-F800 PolarHBondContact O-N 3.01Å; L797-F800 PolarHBondContact O-N 2.85Å; V798-F800 VanDerWaalsContact C-N 3.3Å; V798-F800 PolarHBondContact O-N 2.97Å; F800-S802 VanDerWaalsContact C-N 3.3Å; F800-S802 PolarHBondContact O-N 2.97Å; F800-L839 HydrophobicContact CB-CD1 4.33Å; F800-L839 HydrophobicContact CD2-CD1 4.33Å; F800-L839 HydrophobicContact CD2-CD2 3.78Å; F800-L839 HydrophobicContact CE2-CD2 3.83Å; F800-L839 HydrophobicContact CG-CD1 4.28Å; F800-L839 HydrophobicContact CG-CD2 4.41Å; F800-L839 HydrophobicContact CZ-CD2 4.49Å |
| 801 | Y | 92.9 | Very high | 88.3 | Confident | 2 Ų | 2 | 11.6 Ų | 11.6 | 1% | 0.008 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -74.7 | -16.9 | -178.7 | -69 | -54.4 | 0 | 0 | 0 | 113.9 | L504 W688 G753 R757 I760 L797 V798 | L504-Y801 HydrophobicContact CD1-CE1 4.09Å; W688-Y801 HydrophobicContact CZ3-CD1 4.28Å; G753-Y801 VanDerWaalsContact CA-CD2 3.49Å; R757-Y801 HydrophobicContact CG-CD1 4.32Å; I760-Y801 WeakPolarHBondContact CD1-O 3.35Å; L797-Y801 HydrophobicContact CB-CD2 4.39Å; L797-Y801 HydrophobicContact CB-CE2 4.41Å; L797-Y801 HydrophobicContact CD2-CE2 3.87Å; L797-Y801 WeakPolarHBondContact O-CB 3.27Å; L797-Y801 WeakPolarHBondContact O-CD2 3.4Å; L797-Y801 PolarHBondContact O-N 3.37Å; V798-Y801 PolarHBondContact O-N 3.35Å |
| 802 | S | 91.7 | Very high | 88.3 | Confident | 4 Ų | 4 | 12.8 Ų | 12.8 | 3% | 0.028 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97 | 10.6 | 179.2 | 67.2 | 0 | 0 | 0 | 0 | 114.3 | V798 L799 F800 D804 L805 Q851 | V798-S802 WeakPolarHBondContact O-CB 3.41Å; V798-S802 PolarHBondContact O-N 3.06Å; V798-S802 PolarHBondContact O-OG 3.35Å; L799-S802 WeakPolarHBondContact CA-OG 3.39Å; F800-S802 VanDerWaalsContact C-N 3.3Å; F800-S802 PolarHBondContact O-N 2.97Å; S802-D804 PolarHBondContact O-N 3.04Å; S802-L805 WeakPolarHBondContact O-CB 3.42Å; S802-L805 PolarHBondContact O-N 2.76Å; S802-Q851 PolarHBondContact O-NE2 3.43Å; S802-Q851 PolarHBondContact OG-NE2 3.36Å |
| 803 | I | 87.4 | Confident | 88.3 | Confident | 13 Ų | 13 | 12.8 Ų | 12.8 | 7% | 0.067 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46.4 | -35.4 | -175.2 | -175.9 | 164.5 | 0 | 0 | 0 | 114.9 | L689 L799 R807 H850 | L689-I803 HydrophobicContact CD2-CD1 3.47Å; L689-I803 VanDerWaalsContact CD2-CD1 3.47Å; L799-I803 PolarHBondContact O-N 3.1Å; I803-R807 PolarHBondContact O-NE 2.85Å; I803-H850 HydrophobicContact CD1-CB 3.64Å; I803-H850 WeakPolarHBondContact CD1-CD2 3.3Å; I803-H850 HydrophobicContact CG1-CB 3.61Å |
| 804 | D | 85.5 | Confident | 87.8 | Confident | 21 Ų | 21 | 14.7 Ų | 14.7 | 11% | 0.112 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -2.3 | -178.3 | -105.1 | 30.2 | 0 | 0 | 0 | 114 | I760 S802 L806 R807 V808 R1637 | I760-D804 HydrophobicContact CD1-CB 4.28Å; I760-D804 HydrophobicContact CG2-CB 3.62Å; S802-D804 PolarHBondContact O-N 3.04Å; D804-L806 PolarHBondContact O-N 3.38Å; D804-R807 CarbonylContact O-C 3.57Å; D804-R807 VanDerWaalsContact O-CA 3.28Å; D804-R807 WeakPolarHBondContact O-CA 3.33Å; D804-R807 VanDerWaalsContact O-CB 3.25Å; D804-R807 WeakPolarHBondContact O-CB 3.31Å; D804-R807 PolarHBondContact O-N 3.25Å; D804-R807 WeakPolarHBondContact OD1-CD 3.46Å; D804-R807 IonicContact OD1-CZ 2.7Å; D804-R807 IonicContact OD1-NE 2.62Å; D804-R807 IonicContact OD1-NH1 2.67Å; D804-R807 PolarHBondContact OD1-NH1 3.04Å; D804-V808 HydrophobicContact CB-CG2 4.42Å; D804-V808 VanDerWaalsContact O-CG2 3.29Å; D804-V808 WeakPolarHBondContact O-CG2 3.19Å; D804-V808 PolarHBondContact O-N 3.37Å; D804-R1637 IonicContact OD1-NH2 3.91Å; D804-R1637 IonicContact OD2-CZ 3.51Å; D804-R1637 IonicContact OD2-NH1 3.19Å; D804-R1637 PolarHBondContact OD2-NH1 2.94Å; D804-R1637 IonicContact OD2-NH2 2.67Å; D804-R1637 PolarHBondContact OD2-NH2 3.32Å |
| 805 | L | 89.7 | Confident | 87.3 | Confident | 1 Ų | 1 | 18.2 Ų | 18.2 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | G | 310 helix | trans | -55.3 | -47.5 | -170.1 | 178.1 | 66.2 | 0 | 0 | 0 | 113.6 | I760 F775 L779 S802 R807 V808 L810 I813 I820 | I760-L805 HydrophobicContact CD1-CB 4.21Å; F775-L805 HydrophobicContact CE1-CD1 3.74Å; F775-L805 HydrophobicContact CZ-CD1 3.8Å; L779-L805 HydrophobicContact CD1-CD1 4.3Å; L779-L805 HydrophobicContact CD1-CD2 3.54Å; S802-L805 WeakPolarHBondContact O-CB 3.42Å; S802-L805 PolarHBondContact O-N 2.76Å; L805-R807 PolarHBondContact O-N 2.59Å; L805-V808 PolarHBondContact O-N 3.19Å; L805-L810 HydrophobicContact CD1-CD1 4.09Å; L805-I813 HydrophobicContact CD1-CD1 3.88Å; L805-I813 HydrophobicContact CD2-CD1 4.2Å; L805-I813 HydrophobicContact CG-CD1 3.9Å; L805-I813 HydrophobicContact CG-CG1 4.38Å; L805-I820 HydrophobicContact CD2-CD1 4.37Å |
| 806 | L | 87.5 | Confident | 87 | Confident | 13 Ų | 13 | 18.2 Ų | 18.2 | 7% | 0.068 | 11% | 0.11 | C | C | . | . | G | 310 helix | trans | -75.8 | -12.7 | 177.1 | -67.3 | 173.6 | 0 | 0 | 0 | 113.2 | D804 I813 V817 I820 M855 | D804-L806 PolarHBondContact O-N 3.38Å; L806-I813 HydrophobicContact CD2-CG1 3.9Å; L806-I813 HydrophobicContact CD2-CG2 4.45Å; L806-V817 HydrophobicContact CD2-CG2 4.17Å; L806-I820 HydrophobicContact CD1-CD1 4.07Å; L806-I820 HydrophobicContact CD2-CD1 3.95Å; L806-I820 HydrophobicContact CG-CD1 4.06Å; L806-M855 HydrophobicContact CD1-CG 3.29Å; L806-M855 HydrophobicContact CD1-SD 4.05Å |
| 807 | R | 86.2 | Confident | 86.6 | Confident | 10 Ų | 10 | 18.2 Ų | 18.2 | 4% | 0.038 | 11% | 0.11 | C | C | . | . | G | 310 helix | trans | -93.3 | -6.8 | 174.6 | -35.2 | -177.5 | -178.4 | 163 | -20.8 | 111.6 | I803 D804 L805 H850 S854 R1637 G1656 V1658 | I803-R807 PolarHBondContact O-NE 2.85Å; D804-R807 CarbonylContact O-C 3.57Å; D804-R807 VanDerWaalsContact O-CA 3.28Å; D804-R807 WeakPolarHBondContact O-CA 3.33Å; D804-R807 VanDerWaalsContact O-CB 3.25Å; D804-R807 WeakPolarHBondContact O-CB 3.31Å; D804-R807 PolarHBondContact O-N 3.25Å; D804-R807 WeakPolarHBondContact OD1-CD 3.46Å; D804-R807 IonicContact OD1-CZ 2.7Å; D804-R807 IonicContact OD1-NE 2.62Å; D804-R807 IonicContact OD1-NH1 2.67Å; D804-R807 PolarHBondContact OD1-NH1 3.04Å; L805-R807 PolarHBondContact O-N 2.59Å; R807-H850 PolarHBondContact NH2-ND1 3.31Å; R807-H850 VanDerWaalsContact NH2-ND1 3.17Å; R807-S854 PolarHBondContact NE-OG 3.09Å; R807-S854 VanDerWaalsContact NE-OG 3.12Å; R807-R1637 WeakPolarHBondContact O-CD 3.35Å; R807-R1637 PolarHBondContact O-NH1 3.22Å; R807-G1656 WeakPolarHBondContact CD-O 3.19Å; R807-G1656 PolarHBondContact NE-O 3.11Å; R807-G1656 PolarHBondContact NH2-O 3.19Å; R807-V1658 HydrophobicContact CB-CG2 3.93Å; R807-V1658 HydrophobicContact CG-CG2 3.69Å |
| 808 | V | 80 | Confident | 86.2 | Confident | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.012 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -99 | 104 | 175.9 | 167.7 | 0 | 0 | 0 | 0 | 105.2 | M759 I760 R764 D804 L805 L810 | M759-V808 WeakPolarHBondContact O-CG1 3.33Å; I760-V808 HydrophobicContact CB-CG2 4.23Å; I760-V808 HydrophobicContact CG1-CG2 4.15Å; I760-V808 HydrophobicContact CG2-CG2 3.96Å; R764-V808 VanDerWaalsContact CZ-CG1 3.41Å; R764-V808 VanDerWaalsContact NH2-CA 3.31Å; D804-V808 HydrophobicContact CB-CG2 4.42Å; D804-V808 VanDerWaalsContact O-CG2 3.29Å; D804-V808 WeakPolarHBondContact O-CG2 3.19Å; D804-V808 PolarHBondContact O-N 3.37Å; L805-V808 PolarHBondContact O-N 3.19Å; V808-L810 HydrophobicContact CG1-CD1 4.07Å; V808-L810 HydrophobicContact CG1-CD2 3.97Å; V808-L810 HydrophobicContact CG1-CG 3.69Å; V808-L810 WeakPolarHBondContact O-CG 3.24Å; V808-L810 PolarHBondContact O-N 2.74Å |
| 809 | D | 81 | Confident | 85.8 | Confident | 44 Ų | 44 | 23.4 Ų | 23.4 | 24% | 0.235 | 14% | 0.135 | C | C | . | . | trans | -57.2 | 77.4 | -177.9 | -161.8 | 30 | 0 | 0 | 0 | 113 | R764 L1631 S1632 | R764-D809 VanDerWaalsContact NH1-C 3.34Å; R764-D809 VanDerWaalsContact NH1-N 3.12Å; R764-D809 PolarHBondContact NH1-O 3.37Å; D809-L1631 HydrophobicContact CB-CB 4.42Å; D809-L1631 HydrophobicContact CB-CD2 4.04Å; D809-S1632 VanDerWaalsContact CG-N 3.29Å; D809-S1632 VanDerWaalsContact CG-OG 3.26Å; D809-S1632 WeakPolarHBondContact OD1-CB 3.32Å; D809-S1632 PolarHBondContact OD1-N 2.98Å; D809-S1632 VanDerWaalsContact OD1-N 3.11Å; D809-S1632 PolarHBondContact OD1-OG 3.13Å; D809-S1632 VanDerWaalsContact OD2-CB 3.26Å; D809-S1632 WeakPolarHBondContact OD2-CB 3.48Å; D809-S1632 PolarHBondContact OD2-N 3.06Å; D809-S1632 PolarHBondContact OD2-OG 3.37Å | ||
| 810 | L | 87 | Confident | 85.6 | Confident | 6 Ų | 6 | 23.5 Ų | 23.5 | 3% | 0.031 | 14% | 0.135 | C | C | . | . | trans | -102.6 | 129.7 | -178.6 | -67.2 | 176.5 | 0 | 0 | 0 | 109.4 | M759 L767 L772 F775 Y776 L805 V808 G812 I813 | M759-L810 HydrophobicContact CE-CD1 4.16Å; M759-L810 HydrophobicContact CE-CD2 4.26Å; L767-L810 HydrophobicContact CD2-CD2 4.05Å; L772-L810 HydrophobicContact CD1-CB 4.45Å; F775-L810 HydrophobicContact CE1-CD1 4.22Å; Y776-L810 VanDerWaalsContact OH-CB 3.31Å; Y776-L810 WeakPolarHBondContact OH-CB 3.46Å; Y776-L810 PolarHBondContact OH-O 3.24Å; L805-L810 HydrophobicContact CD1-CD1 4.09Å; V808-L810 HydrophobicContact CG1-CD1 4.07Å; V808-L810 HydrophobicContact CG1-CD2 3.97Å; V808-L810 HydrophobicContact CG1-CG 3.69Å; V808-L810 WeakPolarHBondContact O-CG 3.24Å; V808-L810 PolarHBondContact O-N 2.74Å; L810-G812 PolarHBondContact O-N 2.99Å; L810-G812 VanDerWaalsContact O-N 3.13Å; L810-I813 HydrophobicContact CB-CB 4.17Å; L810-I813 HydrophobicContact CD1-CD1 4.42Å; L810-I813 WeakPolarHBondContact O-CG2 3.31Å; L810-I813 PolarHBondContact O-N 3.05Å | ||
| 811 | P | 83.6 | Confident | 85.3 | Confident | 88 Ų | 88 | 23.9 Ų | 23.9 | 57% | 0.571 | 14% | 0.137 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 116.3 | -177.7 | -26.4 | 34.3 | 0 | 0 | 0 | 113.3 | L772 Y776 | L772-P811 HydrophobicContact CD2-CB 4.07Å; L772-P811 HydrophobicContact CD2-CG 4.26Å; L772-P811 WeakPolarHBondContact CD2-O 3.45Å; Y776-P811 WeakPolarHBondContact CE2-O 3.47Å; Y776-P811 PolarHBondContact OH-O 2.63Å |
| 812 | G | 79.5 | Confident | 85.1 | Confident | 40 Ų | 40 | 24.9 Ų | 24.9 | 41% | 0.412 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | 7.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | L810 N814 I815 | L810-G812 PolarHBondContact O-N 2.99Å; L810-G812 VanDerWaalsContact O-N 3.13Å; G812-N814 PolarHBondContact O-N 2.84Å; G812-I815 WeakPolarHBondContact O-CG1 3.35Å; G812-I815 PolarHBondContact O-N 3.37Å; G812-I815 VanDerWaalsContact O-N 3.13Å |
| 813 | I | 84.3 | Confident | 85 | Confident | 9 Ų | 9 | 24.7 Ų | 24.7 | 5% | 0.046 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -53.7 | -30.2 | -179.3 | -170.2 | 66.6 | 0 | 0 | 0 | 113.6 | Y776 L805 L806 L810 I815 L816 | Y776-I813 HydrophobicContact CD1-CD1 4.13Å; Y776-I813 HydrophobicContact CE1-CB 4.46Å; Y776-I813 HydrophobicContact CE1-CD1 3.39Å; Y776-I813 VanDerWaalsContact OH-CA 3.28Å; Y776-I813 WeakPolarHBondContact OH-CA 3.42Å; Y776-I813 WeakPolarHBondContact OH-CB 3.46Å; Y776-I813 PolarHBondContact OH-N 2.85Å; Y776-I813 VanDerWaalsContact OH-N 3.08Å; L805-I813 HydrophobicContact CD1-CD1 3.88Å; L805-I813 HydrophobicContact CD2-CD1 4.2Å; L805-I813 HydrophobicContact CG-CD1 3.9Å; L805-I813 HydrophobicContact CG-CG1 4.38Å; L806-I813 HydrophobicContact CD2-CG1 3.9Å; L806-I813 HydrophobicContact CD2-CG2 4.45Å; L810-I813 HydrophobicContact CB-CB 4.17Å; L810-I813 HydrophobicContact CD1-CD1 4.42Å; L810-I813 WeakPolarHBondContact O-CG2 3.31Å; L810-I813 PolarHBondContact O-N 3.05Å; I813-I815 PolarHBondContact O-N 3.48Å; I813-L816 HydrophobicContact CD1-CD1 3.96Å; I813-L816 PolarHBondContact O-N 3.09Å |
| 814 | N | 79.4 | Confident | 85.3 | Confident | 47 Ų | 47 | 24.1 Ų | 24.1 | 25% | 0.251 | 14% | 0.144 | S | C | . | . | G | 310 helix | trans | -57.2 | -20.4 | -179.1 | -65.8 | -16.7 | 0 | 0 | 0 | 113.8 | G812 L816 V817 | G812-N814 PolarHBondContact O-N 2.84Å; N814-L816 PolarHBondContact O-N 3.23Å; N814-V817 HydrophobicContact CB-CG2 4.49Å; N814-V817 VanDerWaalsContact O-CB 3.29Å; N814-V817 WeakPolarHBondContact O-CB 3.41Å; N814-V817 VanDerWaalsContact O-CG2 3.32Å; N814-V817 WeakPolarHBondContact O-CG2 3.21Å; N814-V817 PolarHBondContact O-N 3.03Å; N814-V817 VanDerWaalsContact O-N 3.16Å |
| 815 | I | 79.3 | Confident | 85.5 | Confident | 75 Ų | 75 | 26.7 Ų | 26.7 | 39% | 0.385 | 16% | 0.155 | S | C | . | . | G | 310 helix | trans | -66.3 | -22.6 | 176.5 | -51.1 | 163.4 | 0 | 0 | 0 | 111.5 | G812 I813 P818 L870 | G812-I815 WeakPolarHBondContact O-CG1 3.35Å; G812-I815 PolarHBondContact O-N 3.37Å; G812-I815 VanDerWaalsContact O-N 3.13Å; I813-I815 PolarHBondContact O-N 3.48Å; I815-P818 WeakPolarHBondContact O-CD 3.5Å; I815-L870 HydrophobicContact CB-CD1 3.99Å; I815-L870 HydrophobicContact CD1-CD1 4.18Å; I815-L870 HydrophobicContact CG2-CB 3.84Å; I815-L870 HydrophobicContact CG2-CD1 3.7Å; I815-L870 HydrophobicContact CG2-CG 4.32Å |
| 816 | L | 85.1 | Confident | 85.5 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -82.5 | -11.8 | 175.6 | -61.4 | -178 | 0 | 0 | 0 | 114.1 | Y776 L779 I813 N814 P818 R819 I820 | Y776-L816 HydrophobicContact CD1-CD1 3.93Å; Y776-L816 HydrophobicContact CG-CD1 4.32Å; L779-L816 HydrophobicContact CB-CD1 3.81Å; L779-L816 HydrophobicContact CD1-CD1 3.71Å; L779-L816 HydrophobicContact CG-CD1 4.46Å; I813-L816 HydrophobicContact CD1-CD1 3.96Å; I813-L816 PolarHBondContact O-N 3.09Å; N814-L816 PolarHBondContact O-N 3.23Å; L816-P818 VanDerWaalsContact C-CD 3.47Å; L816-R819 PolarHBondContact O-N 3.36Å; L816-I820 HydrophobicContact CB-CD1 4.06Å; L816-I820 HydrophobicContact CB-CG1 4.38Å; L816-I820 PolarHBondContact O-N 3.48Å |
| 817 | V | 85.3 | Confident | 85.6 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -51.5 | -44.4 | -176 | 167.3 | 0 | 0 | 0 | 0 | 113.6 | L806 N814 R819 I820 Y821 M855 I858 M883 I886 | L806-V817 HydrophobicContact CD2-CG2 4.17Å; N814-V817 HydrophobicContact CB-CG2 4.49Å; N814-V817 VanDerWaalsContact O-CB 3.29Å; N814-V817 WeakPolarHBondContact O-CB 3.41Å; N814-V817 VanDerWaalsContact O-CG2 3.32Å; N814-V817 WeakPolarHBondContact O-CG2 3.21Å; N814-V817 PolarHBondContact O-N 3.03Å; N814-V817 VanDerWaalsContact O-N 3.16Å; V817-R819 VanDerWaalsContact C-N 3.27Å; V817-R819 PolarHBondContact O-N 3.19Å; V817-I820 PolarHBondContact O-N 3.25Å; V817-Y821 VanDerWaalsContact O-CB 3.24Å; V817-Y821 WeakPolarHBondContact O-CB 3.45Å; V817-Y821 PolarHBondContact O-N 3.35Å; V817-M855 HydrophobicContact CG1-CG 4.31Å; V817-M855 HydrophobicContact CG1-SD 3.89Å; V817-M855 HydrophobicContact CG2-CG 4.49Å; V817-I858 HydrophobicContact CG2-CD1 3.56Å; V817-M883 HydrophobicContact CG1-CE 4.22Å; V817-M883 HydrophobicContact CG1-SD 4.29Å; V817-I886 HydrophobicContact CG1-CD1 4.33Å |
| 818 | P | 83.6 | Confident | 85.8 | Confident | 45 Ų | 45 | 27.4 Ų | 27.4 | 29% | 0.292 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -61.1 | -33.8 | 177.5 | -21.9 | 32.8 | 0 | 0 | 0 | 113.6 | I815 L816 G822 L867 I886 | I815-P818 WeakPolarHBondContact O-CD 3.5Å; L816-P818 VanDerWaalsContact C-CD 3.47Å; P818-G822 PolarHBondContact O-N 2.99Å; P818-L867 HydrophobicContact CG-CD1 3.67Å; P818-I886 HydrophobicContact CB-CD1 4.23Å; P818-I886 HydrophobicContact CG-CD1 3.93Å |
| 819 | R | 84.2 | Confident | 86.1 | Confident | 68 Ų | 68 | 32.2 Ų | 32.2 | 26% | 0.257 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -78.5 | -42.3 | 178.7 | -70.9 | -67.6 | -176.1 | -159.7 | -3.5 | 111.9 | Y780 L783 L816 V817 Y821 G822 A823 | Y780-R819 HydrophobicContact CD2-CG 3.79Å; Y780-R819 HydrophobicContact CE2-CG 3.87Å; Y780-R819 PolarHBondContact OH-NH2 2.88Å; L783-R819 HydrophobicContact CB-CB 3.87Å; L783-R819 HydrophobicContact CD1-CB 4.35Å; L816-R819 PolarHBondContact O-N 3.36Å; V817-R819 VanDerWaalsContact C-N 3.27Å; V817-R819 PolarHBondContact O-N 3.19Å; R819-Y821 VanDerWaalsContact C-N 3.32Å; R819-Y821 PolarHBondContact O-N 2.9Å; R819-G822 PolarHBondContact O-N 3.13Å; R819-A823 PolarHBondContact O-N 3.05Å |
| 820 | I | 89.8 | Confident | 85.9 | Confident | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.015 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.6 | -46.8 | 173.3 | -61.9 | 169.1 | 0 | 0 | 0 | 109.4 | L783 L799 L805 L806 L816 V817 A823 C824 Q851 M855 | L783-I820 HydrophobicContact CD1-CG1 3.56Å; L799-I820 HydrophobicContact CD2-CG2 4.39Å; L805-I820 HydrophobicContact CD2-CD1 4.37Å; L806-I820 HydrophobicContact CD1-CD1 4.07Å; L806-I820 HydrophobicContact CD2-CD1 3.95Å; L806-I820 HydrophobicContact CG-CD1 4.06Å; L816-I820 HydrophobicContact CB-CD1 4.06Å; L816-I820 HydrophobicContact CB-CG1 4.38Å; L816-I820 PolarHBondContact O-N 3.48Å; V817-I820 PolarHBondContact O-N 3.25Å; I820-A823 PolarHBondContact O-N 2.82Å; I820-C824 PolarHBondContact O-N 3.45Å; I820-C824 PolarHBondContact O-SG 2.85Å; I820-Q851 HydrophobicContact CG2-CB 3.95Å; I820-Q851 HydrophobicContact CG2-CG 4.15Å; I820-M855 HydrophobicContact CB-SD 4.12Å; I820-M855 HydrophobicContact CG2-CE 3.89Å; I820-M855 HydrophobicContact CG2-SD 3.89Å |
| 821 | Y | 89.5 | Confident | 85.3 | Confident | 9 Ų | 9 | 43.8 Ų | 43.8 | 4% | 0.035 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.5 | -47.1 | 176.5 | 177.5 | -104.8 | 0 | 0 | 0 | 112.7 | V817 R819 A823 C824 Q825 L852 I886 M889 M890 I893 | V817-Y821 VanDerWaalsContact O-CB 3.24Å; V817-Y821 WeakPolarHBondContact O-CB 3.45Å; V817-Y821 PolarHBondContact O-N 3.35Å; R819-Y821 VanDerWaalsContact C-N 3.32Å; R819-Y821 PolarHBondContact O-N 2.9Å; Y821-A823 VanDerWaalsContact C-N 3.32Å; Y821-A823 PolarHBondContact O-N 3.18Å; Y821-C824 PolarHBondContact O-N 2.87Å; Y821-C824 VanDerWaalsContact O-N 3.17Å; Y821-Q825 WeakPolarHBondContact O-CB 3.3Å; Y821-Q825 PolarHBondContact O-N 3.37Å; Y821-L852 HydrophobicContact CD2-CD2 4.01Å; Y821-L852 HydrophobicContact CE2-CD2 4.17Å; Y821-I886 HydrophobicContact CD1-CG2 4.3Å; Y821-I886 HydrophobicContact CD2-CG2 4.39Å; Y821-I886 HydrophobicContact CG-CG2 4.11Å; Y821-M889 HydrophobicContact CE1-CB 3.94Å; Y821-M889 HydrophobicContact CE1-SD 4.35Å; Y821-M889 WeakPolarHBondContact OH-CB 3.33Å; Y821-M889 PolarHBondContact OH-O 3.08Å; Y821-M889 VanDerWaalsContact OH-O 3.07Å; Y821-M890 HydrophobicContact CD2-CG 3.83Å; Y821-M890 HydrophobicContact CE2-CB 4.36Å; Y821-M890 HydrophobicContact CE2-CG 3.37Å; Y821-M890 PolarHBondContact OH-N 3.44Å; Y821-I893 HydrophobicContact CE2-CD1 4.17Å; Y821-I893 WeakPolarHBondContact OH-CD1 3.46Å; Y821-I893 WeakPolarHBondContact OH-CG1 3.49Å |
| 822 | G | 87.4 | Confident | 85.2 | Confident | 24 Ų | 24 | 41 Ų | 41 | 25% | 0.247 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59 | -40 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | P818 R819 Q825 H826 | P818-G822 PolarHBondContact O-N 2.99Å; R819-G822 PolarHBondContact O-N 3.13Å; G822-Q825 PolarHBondContact O-N 3.02Å; G822-H826 PolarHBondContact O-N 3.2Å; G822-H826 VanDerWaalsContact O-N 3.07Å |
| 823 | A | 90.5 | Very high | 84.9 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.1 | -39.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L783 L795 L799 R819 I820 Y821 I827 | L783-A823 HydrophobicContact CD2-CB 3.85Å; L795-A823 HydrophobicContact CD2-CB 3.97Å; L799-A823 HydrophobicContact CD1-CB 4.09Å; L799-A823 HydrophobicContact CD2-CB 4.48Å; R819-A823 PolarHBondContact O-N 3.05Å; I820-A823 PolarHBondContact O-N 2.82Å; Y821-A823 VanDerWaalsContact C-N 3.32Å; Y821-A823 PolarHBondContact O-N 3.18Å; A823-I827 PolarHBondContact O-N 2.88Å |
| 824 | C | 92.4 | Very high | 84.9 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.3 | -40.1 | 173 | -66.2 | 0 | 0 | 0 | 0 | 112.3 | I820 Y821 I827 L828 A848 L852 | I820-C824 PolarHBondContact O-N 3.45Å; I820-C824 PolarHBondContact O-SG 2.85Å; Y821-C824 PolarHBondContact O-N 2.87Å; Y821-C824 VanDerWaalsContact O-N 3.17Å; C824-I827 PolarHBondContact O-N 3.25Å; C824-L828 WeakPolarHBondContact O-CB 3.34Å; C824-L828 VanDerWaalsContact O-CG 3.22Å; C824-L828 WeakPolarHBondContact O-CG 2.98Å; C824-L828 PolarHBondContact O-N 3.27Å; C824-A848 HydrophobicContact CB-CB 4.15Å; C824-L852 HydrophobicContact CB-CD2 4.33Å; C824-L852 HydrophobicContact CB-CG 4.39Å |
| 825 | Q | 91 | Very high | 85.4 | Confident | 75 Ų | 75 | 45.5 Ų | 45.5 | 35% | 0.35 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59.3 | -47.3 | 176 | 167.2 | 165.7 | 9.2 | 0 | 0 | 111.5 | Y821 G822 L828 K829 I893 | Y821-Q825 WeakPolarHBondContact O-CB 3.3Å; Y821-Q825 PolarHBondContact O-N 3.37Å; G822-Q825 PolarHBondContact O-N 3.02Å; Q825-L828 PolarHBondContact O-N 3.19Å; Q825-K829 WeakPolarHBondContact O-CB 3.44Å; Q825-K829 PolarHBondContact O-N 2.84Å; Q825-K829 VanDerWaalsContact O-N 3.13Å; Q825-I893 HydrophobicContact CB-CD1 3.47Å; Q825-I893 VanDerWaalsContact CB-CD1 3.47Å; Q825-I893 HydrophobicContact CG-CD1 3.43Å; Q825-I893 VanDerWaalsContact CG-CD1 3.43Å |
| 826 | H | 89.4 | Confident | 85.9 | Confident | 22 Ų | 22 | 41.9 Ų | 41.9 | 10% | 0.102 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -54.8 | -56.4 | 176.2 | -174.4 | 63.4 | 0 | 0 | 0 | 111.3 | V785 D792 G822 L828 K829 E830 | V785-H826 HydrophobicContact CG1-CB 4.23Å; V785-H826 HydrophobicContact CG2-CB 4.07Å; D792-H826 IonicContact OD1-CD2 2.7Å; D792-H826 IonicContact OD1-NE2 2.73Å; D792-H826 PolarHBondContact OD1-NE2 3.45Å; G822-H826 PolarHBondContact O-N 3.2Å; G822-H826 VanDerWaalsContact O-N 3.07Å; H826-L828 VanDerWaalsContact C-N 3.28Å; H826-L828 PolarHBondContact O-N 3.04Å; H826-K829 PolarHBondContact O-N 3.16Å; H826-E830 IonicContact CE1-OE2 3.64Å; H826-E830 PolarHBondContact CE1-OE2 3.47Å; H826-E830 VanDerWaalsContact CE1-OE2 3.22Å; H826-E830 IonicContact ND1-OE1 3.29Å; H826-E830 IonicContact ND1-OE2 3.9Å; H826-E830 PolarHBondContact O-N 3.41Å |
| 827 | I | 90.2 | Very high | 86 | Confident | 3 Ų | 3 | 45.2 Ų | 45.2 | 2% | 0.015 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.6 | -23.4 | -176.8 | -86 | 163.3 | 0 | 0 | 0 | 114.7 | L795 L799 A823 C824 I832 V844 A848 | L795-I827 HydrophobicContact CB-CD1 4.14Å; L799-I827 HydrophobicContact CD1-CD1 3.41Å; L799-I827 VanDerWaalsContact CD1-CD1 3.41Å; A823-I827 PolarHBondContact O-N 2.88Å; C824-I827 PolarHBondContact O-N 3.25Å; I827-I832 HydrophobicContact CG1-CD1 4.2Å; I827-I832 HydrophobicContact CG1-CG1 4.29Å; I827-I832 HydrophobicContact CG2-CD1 4.12Å; I827-V844 HydrophobicContact CD1-CG1 3.87Å; I827-V844 HydrophobicContact CG1-CG1 4.25Å; I827-V844 HydrophobicContact CG2-CG1 3.89Å; I827-A848 HydrophobicContact CG2-CB 3.86Å |
| 828 | L | 89.8 | Confident | 86.2 | Confident | 14 Ų | 14 | 45.8 Ų | 45.8 | 7% | 0.073 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -93.9 | -14.7 | 178.8 | -66.9 | 173.5 | 0 | 0 | 0 | 113.7 | C824 Q825 H826 Q845 A848 I849 L852 I893 T897 | C824-L828 WeakPolarHBondContact O-CB 3.34Å; C824-L828 VanDerWaalsContact O-CG 3.22Å; C824-L828 WeakPolarHBondContact O-CG 2.98Å; C824-L828 PolarHBondContact O-N 3.27Å; Q825-L828 PolarHBondContact O-N 3.19Å; H826-L828 VanDerWaalsContact C-N 3.28Å; H826-L828 PolarHBondContact O-N 3.04Å; L828-Q845 HydrophobicContact CD2-CB 4.03Å; L828-Q845 HydrophobicContact CD2-CG 4.07Å; L828-A848 HydrophobicContact CD2-CB 4.48Å; L828-A848 HydrophobicContact CG-CB 4.34Å; L828-I849 HydrophobicContact CD2-CG1 4.29Å; L828-L852 HydrophobicContact CD1-CD1 3.47Å; L828-L852 VanDerWaalsContact CD1-CD1 3.47Å; L828-I893 HydrophobicContact CD1-CG2 4.37Å; L828-T897 HydrophobicContact CD2-CG2 4.1Å |
| 829 | K | 85.2 | Confident | 86.6 | Confident | 104 Ų | 104 | 43.6 Ų | 43.6 | 45% | 0.452 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -111.7 | -35.1 | -178.8 | -70.7 | -160.5 | 164.4 | -165.2 | 0 | 114.5 | Q825 H826 D896 | Q825-K829 WeakPolarHBondContact O-CB 3.44Å; Q825-K829 PolarHBondContact O-N 2.84Å; Q825-K829 VanDerWaalsContact O-N 3.13Å; H826-K829 PolarHBondContact O-N 3.16Å; K829-D896 WeakPolarHBondContact CE-OD2 3.07Å; K829-D896 IonicContact NZ-OD2 3.07Å; K829-D896 PolarHBondContact NZ-OD2 3.13Å |
| 830 | E | 77.3 | Confident | 87 | Confident | 122 Ų | 122 | 41.6 Ų | 41.6 | 57% | 0.57 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -103.5 | 155.4 | -174.4 | -58.9 | -167.2 | -169.4 | 0 | 0 | 112 | H826 I832 | H826-E830 IonicContact CE1-OE2 3.64Å; H826-E830 PolarHBondContact CE1-OE2 3.47Å; H826-E830 VanDerWaalsContact CE1-OE2 3.22Å; H826-E830 IonicContact ND1-OE1 3.29Å; H826-E830 IonicContact ND1-OE2 3.9Å; H826-E830 PolarHBondContact O-N 3.41Å; E830-I832 PolarHBondContact O-N 3.32Å |
| 831 | E | 74.6 | Confident | 87 | Confident | 171 Ų | 171 | 44.5 Ų | 44.5 | 80% | 0.799 | 23% | 0.225 | S | C | * | . | trans | -72.1 | 117.7 | 174 | -70.2 | -167.9 | 155.9 | 0 | 0 | 110.2 | N833 | E831-N833 PolarHBondContact O-N 2.94Å; E831-N833 VanDerWaalsContact O-N 3.07Å; E831-N833 PolarHBondContact O-ND2 2.89Å | ||
| 832 | I | 80.5 | Confident | 87.1 | Confident | 29 Ų | 29 | 46.6 Ų | 46.6 | 15% | 0.149 | 24% | 0.239 | C | C | . | . | trans | -70.9 | 104.4 | -179.4 | -53.4 | 167.2 | 0 | 0 | 0 | 109 | D792 I827 E830 K835 V844 | D792-I832 HydrophobicContact CB-CG2 4.42Å; I827-I832 HydrophobicContact CG1-CD1 4.2Å; I827-I832 HydrophobicContact CG1-CG1 4.29Å; I827-I832 HydrophobicContact CG2-CD1 4.12Å; E830-I832 PolarHBondContact O-N 3.32Å; I832-K835 HydrophobicContact CG2-CB 4.08Å; I832-V844 HydrophobicContact CD1-CB 4Å; I832-V844 HydrophobicContact CD1-CG1 3.86Å | ||
| 833 | N | 75.2 | Confident | 87.4 | Confident | 110 Ų | 110 | 45.7 Ų | 45.7 | 59% | 0.588 | 23% | 0.228 | S | C | * | . | trans | -80.7 | -34.1 | -172.3 | -76 | -70.7 | 0 | 0 | 0 | 112.7 | V789 D792 E831 | V789-N833 HydrophobicContact CG1-CB 3.54Å; V789-N833 HydrophobicContact CG2-CB 4.42Å; D792-N833 PolarHBondContact OD2-N 3.33Å; E831-N833 PolarHBondContact O-N 2.94Å; E831-N833 VanDerWaalsContact O-N 3.07Å; E831-N833 PolarHBondContact O-ND2 2.89Å | ||
| 834 | M | 83.6 | Confident | 87.5 | Confident | 30 Ų | 30 | 45.7 Ų | 45.7 | 15% | 0.148 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -131.8 | 109.3 | -173.9 | -162.7 | 103.7 | 75.3 | 0 | 0 | 111.5 | I515 L518 V789 K790 D792 Y793 | I515-M834 HydrophobicContact CD1-CG 3.99Å; I515-M834 HydrophobicContact CD1-SD 4.08Å; I515-M834 HydrophobicContact CG2-SD 4.42Å; L518-M834 HydrophobicContact CD2-CE 3.71Å; L518-M834 HydrophobicContact CD2-CG 3.99Å; L518-M834 HydrophobicContact CD2-SD 3.74Å; L518-M834 HydrophobicContact CG-SD 4.33Å; V789-M834 HydrophobicContact CG1-CB 4.34Å; V789-M834 HydrophobicContact CG1-CE 4.2Å; V789-M834 VanDerWaalsContact O-CB 3.31Å; V789-M834 WeakPolarHBondContact O-CB 3.45Å; K790-M834 HydrophobicContact CB-CE 4.36Å; K790-M834 HydrophobicContact CG-CE 3.82Å; D792-M834 CarbonylContact C-O 3.58Å; D792-M834 VanDerWaalsContact C-O 3.3Å; D792-M834 HydrophobicContact CB-CB 4.25Å; D792-M834 VanDerWaalsContact CB-O 3.31Å; D792-M834 WeakPolarHBondContact CB-O 3.35Å; Y793-M834 WeakPolarHBondContact CA-O 3.41Å; Y793-M834 PolarHBondContact N-O 2.87Å; Y793-M834 VanDerWaalsContact N-O 3.11Å |
| 835 | K | 89.2 | Confident | 87.6 | Confident | 50 Ų | 50 | 48.3 Ų | 48.3 | 22% | 0.217 | 24% | 0.24 | C | C | . | . | trans | -142.2 | 156.9 | -176.9 | 65 | 178.7 | -177.3 | 60.5 | 0 | 111.8 | I515 I832 L839 P841 | I515-K835 WeakPolarHBondContact CD1-O 3.38Å; I832-K835 HydrophobicContact CG2-CB 4.08Å; K835-L839 WeakPolarHBondContact CD-O 3.28Å; K835-L839 WeakPolarHBondContact CE-O 3.34Å; K835-L839 PolarHBondContact NZ-O 2.82Å; K835-P841 HydrophobicContact CD-CG 4.46Å | ||
| 836 | P | 89.7 | Confident | 87.7 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -55.2 | 142.5 | 171.2 | -21.8 | 31.4 | 0 | 0 | 0 | 112.5 | G513 Y793 L797 F838 L839 | G513-P836 CarbonylContact O-C 3.39Å; G513-P836 WeakPolarHBondContact O-CA 3.14Å; Y793-P836 HydrophobicContact CD2-CG 4.22Å; Y793-P836 HydrophobicContact CE2-CB 4.19Å; Y793-P836 HydrophobicContact CE2-CG 3.71Å; L797-P836 HydrophobicContact CD1-CG 4.09Å; L797-P836 HydrophobicContact CD2-CB 4.46Å; L797-P836 HydrophobicContact CD2-CG 3.54Å; L797-P836 HydrophobicContact CG-CG 3.61Å; P836-F838 HydrophobicContact CB-CD1 3.67Å; P836-F838 HydrophobicContact CB-CE1 3.41Å; P836-F838 VanDerWaalsContact CB-CE1 3.41Å; P836-F838 HydrophobicContact CB-CZ 4.11Å; P836-F838 HydrophobicContact CG-CE1 4.25Å; P836-F838 PolarHBondContact O-N 3.35Å; P836-L839 HydrophobicContact CB-CD1 4.35Å; P836-L839 HydrophobicContact CB-CG 4.29Å; P836-L839 HydrophobicContact CG-CD1 3.97Å; P836-L839 HydrophobicContact CG-CG 4.45Å; P836-L839 PolarHBondContact O-N 3.3Å; P836-L839 VanDerWaalsContact O-N 3.09Å | ||
| 837 | E | 88.2 | Confident | 87.9 | Confident | 69 Ų | 69 | 44.5 Ų | 44.5 | 32% | 0.322 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -32.7 | -174.5 | -49.7 | 176.2 | 136.6 | 0 | 0 | 111.7 | G513 I515 R674 V678 L839 | G513-E837 PolarHBondContact O-N 3.08Å; I515-E837 HydrophobicContact CG1-CG 4.44Å; R674-E837 IonicContact CZ-OE1 2.78Å; R674-E837 IonicContact CZ-OE2 2.93Å; R674-E837 IonicContact NE-OE2 3.78Å; R674-E837 IonicContact NH2-OE1 3.86Å; R674-E837 PolarHBondContact NH2-OE1 3.14Å; R674-E837 IonicContact NH2-OE2 3.12Å; R674-E837 PolarHBondContact NH2-OE2 2.93Å; V678-E837 HydrophobicContact CG1-CB 4.39Å; E837-L839 VanDerWaalsContact C-N 3.3Å; E837-L839 PolarHBondContact O-N 2.99Å |
| 838 | F | 89.4 | Confident | 88.1 | Confident | 13 Ų | 13 | 44.4 Ų | 44.4 | 6% | 0.057 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -10 | 178.5 | 73.3 | -88 | 0 | 0 | 0 | 114.4 | V678 L681 H682 A685 L797 P836 | V678-F838 HydrophobicContact CG1-CB 4.3Å; L681-F838 HydrophobicContact CB-CB 3.63Å; L681-F838 HydrophobicContact CB-CD2 4.19Å; L681-F838 HydrophobicContact CB-CG 3.96Å; L681-F838 HydrophobicContact CD1-CB 4.28Å; L681-F838 HydrophobicContact CD1-CD1 4.22Å; L681-F838 HydrophobicContact CD1-CG 4.25Å; H682-F838 PolarHBondContact ND1-O 2.88Å; A685-F838 HydrophobicContact CB-CD2 3.97Å; A685-F838 HydrophobicContact CB-CE2 4.13Å; L797-F838 HydrophobicContact CD2-CZ 4.1Å; P836-F838 HydrophobicContact CB-CD1 3.67Å; P836-F838 HydrophobicContact CB-CE1 3.41Å; P836-F838 VanDerWaalsContact CB-CE1 3.41Å; P836-F838 HydrophobicContact CB-CZ 4.11Å; P836-F838 HydrophobicContact CG-CE1 4.25Å; P836-F838 PolarHBondContact O-N 3.35Å |
| 839 | L | 91.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -101.2 | 119.6 | 175.5 | -65 | -178.1 | 0 | 0 | 0 | 109.9 | A685 L797 F800 K835 P836 E837 L843 V844 | A685-L839 HydrophobicContact CB-CD2 3.92Å; L797-L839 HydrophobicContact CD2-CD1 4.47Å; F800-L839 HydrophobicContact CB-CD1 4.33Å; F800-L839 HydrophobicContact CD2-CD1 4.33Å; F800-L839 HydrophobicContact CD2-CD2 3.78Å; F800-L839 HydrophobicContact CE2-CD2 3.83Å; F800-L839 HydrophobicContact CG-CD1 4.28Å; F800-L839 HydrophobicContact CG-CD2 4.41Å; F800-L839 HydrophobicContact CZ-CD2 4.49Å; K835-L839 WeakPolarHBondContact CD-O 3.28Å; K835-L839 WeakPolarHBondContact CE-O 3.34Å; K835-L839 PolarHBondContact NZ-O 2.82Å; P836-L839 HydrophobicContact CB-CD1 4.35Å; P836-L839 HydrophobicContact CB-CG 4.29Å; P836-L839 HydrophobicContact CG-CD1 3.97Å; P836-L839 HydrophobicContact CG-CG 4.45Å; P836-L839 PolarHBondContact O-N 3.3Å; P836-L839 VanDerWaalsContact O-N 3.09Å; E837-L839 VanDerWaalsContact C-N 3.3Å; E837-L839 PolarHBondContact O-N 2.99Å; L839-L843 HydrophobicContact CD2-CD1 4.49Å; L839-V844 HydrophobicContact CB-CG2 3.93Å; L839-V844 HydrophobicContact CD1-CG2 4.2Å | ||
| 840 | S | 91.7 | Very high | 88.6 | Confident | 25 Ų | 25 | 39 Ų | 39 | 18% | 0.175 | 20% | 0.198 | C | C | . | . | trans | -73.5 | 158.3 | 166.8 | 63.8 | 0 | 0 | 0 | 0 | 110.3 | T842 L843 V844 | S840-T842 PolarHBondContact O-N 3.5Å; S840-T842 PolarHBondContact OG-OG1 3Å; S840-L843 PolarHBondContact O-N 3.34Å; S840-L843 VanDerWaalsContact O-N 3.11Å; S840-L843 WeakPolarHBondContact OG-CG 3.37Å; S840-L843 PolarHBondContact OG-N 2.84Å; S840-V844 PolarHBondContact O-N 2.76Å; S840-V844 VanDerWaalsContact O-N 3.16Å | ||
| 841 | P | 90.5 | Very high | 89.3 | Confident | 65 Ų | 65 | 33.2 Ų | 33.2 | 42% | 0.422 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -54.9 | -38.8 | 173 | -22.7 | 33.9 | 0 | 0 | 0 | 111.7 | K835 L843 V844 Q845 | K835-P841 HydrophobicContact CD-CG 4.46Å; P841-L843 PolarHBondContact O-N 3.48Å; P841-V844 PolarHBondContact O-N 3.09Å; P841-Q845 WeakPolarHBondContact O-CG 3.48Å; P841-Q845 PolarHBondContact O-N 2.86Å |
| 842 | T | 91.8 | Very high | 90.1 | Very high | 53 Ų | 53 | 25.2 Ų | 25.2 | 33% | 0.325 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -61.7 | -36.8 | 177.6 | 52.6 | 0 | 0 | 0 | 0 | 113.5 | S840 R846 D903 N906 | S840-T842 PolarHBondContact O-N 3.5Å; S840-T842 PolarHBondContact OG-OG1 3Å; T842-R846 WeakPolarHBondContact O-CB 3.49Å; T842-R846 PolarHBondContact O-N 2.95Å; T842-D903 HydrophobicContact CG2-CB 4.14Å; T842-N906 PolarHBondContact O-ND2 3.2Å |
| 843 | L | 92.9 | Very high | 90.5 | Very high | 4 Ų | 4 | 24.2 Ų | 24.2 | 2% | 0.021 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -73.3 | -36.9 | 175.1 | -70.7 | -179 | 0 | 0 | 0 | 112.3 | H682 A685 T686 L689 L839 S840 P841 R846 A847 | H682-L843 VanDerWaalsContact CE1-CD1 3.42Å; H682-L843 WeakPolarHBondContact CE1-CD1 3.48Å; A685-L843 HydrophobicContact CB-CD1 4.45Å; T686-L843 HydrophobicContact CG2-CD2 4.41Å; L689-L843 HydrophobicContact CD1-CB 3.85Å; L689-L843 HydrophobicContact CD1-CD2 3.96Å; L689-L843 HydrophobicContact CD1-CG 4.39Å; L689-L843 VanDerWaalsContact CD1-O 3.3Å; L689-L843 WeakPolarHBondContact CD1-O 3.4Å; L839-L843 HydrophobicContact CD2-CD1 4.49Å; S840-L843 PolarHBondContact O-N 3.34Å; S840-L843 VanDerWaalsContact O-N 3.11Å; S840-L843 WeakPolarHBondContact OG-CG 3.37Å; S840-L843 PolarHBondContact OG-N 2.84Å; P841-L843 PolarHBondContact O-N 3.48Å; L843-R846 WeakPolarHBondContact O-CB 3.5Å; L843-R846 PolarHBondContact O-N 3.5Å; L843-A847 PolarHBondContact O-N 3.05Å |
| 844 | V | 93.6 | Very high | 91.1 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.006 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -65.4 | -43.9 | 175.2 | -176.1 | 0 | 0 | 0 | 0 | 110.5 | C796 I827 I832 L839 S840 P841 R846 A847 A848 | C796-V844 HydrophobicContact CB-CG1 4.23Å; C796-V844 HydrophobicContact CB-CG2 4.35Å; I827-V844 HydrophobicContact CD1-CG1 3.87Å; I827-V844 HydrophobicContact CG1-CG1 4.25Å; I827-V844 HydrophobicContact CG2-CG1 3.89Å; I832-V844 HydrophobicContact CD1-CB 4Å; I832-V844 HydrophobicContact CD1-CG1 3.86Å; L839-V844 HydrophobicContact CB-CG2 3.93Å; L839-V844 HydrophobicContact CD1-CG2 4.2Å; S840-V844 PolarHBondContact O-N 2.76Å; S840-V844 VanDerWaalsContact O-N 3.16Å; P841-V844 PolarHBondContact O-N 3.09Å; V844-R846 VanDerWaalsContact C-N 3.31Å; V844-R846 PolarHBondContact O-N 2.64Å; V844-A847 PolarHBondContact O-N 3.03Å; V844-A848 PolarHBondContact O-N 2.81Å; V844-A848 VanDerWaalsContact O-N 3.1Å |
| 845 | Q | 93.9 | Very high | 91.3 | Very high | 54 Ų | 54 | 17.6 Ų | 17.6 | 25% | 0.252 | 9% | 0.093 | S | C | . | . | H | α-helix | trans | -59.2 | -41.1 | 171.3 | -69.7 | 176.4 | -15.3 | 0 | 0 | 111.7 | L828 P841 A847 A848 I849 | L828-Q845 HydrophobicContact CD2-CB 4.03Å; L828-Q845 HydrophobicContact CD2-CG 4.07Å; P841-Q845 WeakPolarHBondContact O-CG 3.48Å; P841-Q845 PolarHBondContact O-N 2.86Å; Q845-A847 PolarHBondContact O-N 3.49Å; Q845-A848 WeakPolarHBondContact O-CB 3.31Å; Q845-A848 PolarHBondContact O-N 2.92Å; Q845-I849 WeakPolarHBondContact O-CD1 3.46Å; Q845-I849 VanDerWaalsContact O-CG1 3.25Å; Q845-I849 WeakPolarHBondContact O-CG1 3.43Å; Q845-I849 PolarHBondContact O-N 3.31Å |
| 846 | R | 93.8 | Very high | 91.3 | Very high | 18 Ų | 18 | 15.3 Ų | 15.3 | 7% | 0.068 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -59.6 | -43.5 | 176.3 | -164.9 | 169.7 | -63.4 | 160.5 | 4.9 | 112.2 | L689 T842 L843 V844 I849 H850 D903 N906 L909 | L689-R846 HydrophobicContact CB-CG 4.41Å; L689-R846 HydrophobicContact CD1-CB 4.46Å; L689-R846 VanDerWaalsContact O-CD 3.29Å; L689-R846 WeakPolarHBondContact O-CD 3.49Å; T842-R846 WeakPolarHBondContact O-CB 3.49Å; T842-R846 PolarHBondContact O-N 2.95Å; L843-R846 WeakPolarHBondContact O-CB 3.5Å; L843-R846 PolarHBondContact O-N 3.5Å; V844-R846 VanDerWaalsContact C-N 3.31Å; V844-R846 PolarHBondContact O-N 2.64Å; R846-I849 PolarHBondContact O-N 2.88Å; R846-H850 PolarHBondContact O-CD2 3.4Å; R846-H850 PolarHBondContact O-N 3.12Å; R846-D903 IonicContact CZ-OD2 3.23Å; R846-D903 IonicContact NH2-OD1 2.75Å; R846-D903 PolarHBondContact NH2-OD1 2.82Å; R846-D903 IonicContact NH2-OD2 3.88Å; R846-D903 PolarHBondContact NH2-OD2 3.03Å; R846-N906 WeakPolarHBondContact CB-OD1 3.31Å; R846-N906 WeakPolarHBondContact CG-OD1 3.31Å; R846-N906 PolarHBondContact NE-OD1 2.82Å; R846-L909 HydrophobicContact CG-CD1 3.81Å |
| 847 | A | 93.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -60.3 | -44.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L689 L843 V844 Q845 I849 H850 Q851 | L689-A847 HydrophobicContact CD2-CB 4.13Å; L843-A847 PolarHBondContact O-N 3.05Å; V844-A847 PolarHBondContact O-N 3.03Å; Q845-A847 PolarHBondContact O-N 3.49Å; A847-I849 PolarHBondContact O-N 2.73Å; A847-H850 PolarHBondContact O-N 2.94Å; A847-Q851 PolarHBondContact O-N 2.98Å |
| 848 | A | 94.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -62.5 | -39.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | C824 I827 L828 V844 Q845 H850 Q851 L852 | C824-A848 HydrophobicContact CB-CB 4.15Å; I827-A848 HydrophobicContact CG2-CB 3.86Å; L828-A848 HydrophobicContact CD2-CB 4.48Å; L828-A848 HydrophobicContact CG-CB 4.34Å; V844-A848 PolarHBondContact O-N 2.81Å; V844-A848 VanDerWaalsContact O-N 3.1Å; Q845-A848 WeakPolarHBondContact O-CB 3.31Å; Q845-A848 PolarHBondContact O-N 2.92Å; A848-H850 VanDerWaalsContact C-N 3.34Å; A848-H850 PolarHBondContact O-N 3.46Å; A848-Q851 WeakPolarHBondContact O-CB 3.39Å; A848-Q851 PolarHBondContact O-N 3.48Å; A848-L852 PolarHBondContact O-N 3.42Å |
| 849 | I | 93.9 | Very high | 89.5 | Confident | 1 Ų | 1 | 13.6 Ų | 13.6 | 1% | 0.005 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -64.4 | -37.6 | 176.5 | -66.2 | 159.7 | 0 | 0 | 0 | 111.4 | L828 Q845 R846 A847 Q851 L852 M853 N906 L909 L910 V913 | L828-I849 HydrophobicContact CD2-CG1 4.29Å; Q845-I849 WeakPolarHBondContact O-CD1 3.46Å; Q845-I849 VanDerWaalsContact O-CG1 3.25Å; Q845-I849 WeakPolarHBondContact O-CG1 3.43Å; Q845-I849 PolarHBondContact O-N 3.31Å; R846-I849 PolarHBondContact O-N 2.88Å; A847-I849 PolarHBondContact O-N 2.73Å; I849-Q851 VanDerWaalsContact C-N 3.33Å; I849-Q851 PolarHBondContact O-N 2.78Å; I849-L852 PolarHBondContact O-N 3.49Å; I849-M853 WeakPolarHBondContact O-CB 3.42Å; I849-M853 PolarHBondContact O-N 3.1Å; I849-N906 HydrophobicContact CD1-CB 3.67Å; I849-L909 HydrophobicContact CG2-CB 3.63Å; I849-L910 HydrophobicContact CD1-CD1 3.97Å; I849-L910 HydrophobicContact CD1-CD2 4.3Å; I849-L910 HydrophobicContact CD1-CG 3.88Å; I849-L910 HydrophobicContact CG1-CD2 3.96Å; I849-L910 HydrophobicContact CG1-CG 4.06Å; I849-L910 HydrophobicContact CG2-CD2 4.3Å; I849-L910 HydrophobicContact CG2-CG 4.2Å; I849-V913 HydrophobicContact CG2-CG2 4.33Å |
| 850 | H | 91.8 | Very high | 88 | Confident | 5 Ų | 5 | 14.7 Ų | 14.7 | 2% | 0.023 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -67.1 | -30.8 | 174.2 | -78.9 | -67.6 | 0 | 0 | 0 | 113.6 | I803 R807 R846 A847 A848 S854 | I803-H850 HydrophobicContact CD1-CB 3.64Å; I803-H850 WeakPolarHBondContact CD1-CD2 3.3Å; I803-H850 HydrophobicContact CG1-CB 3.61Å; R807-H850 PolarHBondContact NH2-ND1 3.31Å; R807-H850 VanDerWaalsContact NH2-ND1 3.17Å; R846-H850 PolarHBondContact O-CD2 3.4Å; R846-H850 PolarHBondContact O-N 3.12Å; A847-H850 PolarHBondContact O-N 2.94Å; A848-H850 VanDerWaalsContact C-N 3.34Å; A848-H850 PolarHBondContact O-N 3.46Å; H850-S854 PolarHBondContact O-N 3.5Å; H850-S854 PolarHBondContact O-OG 3.02Å |
| 851 | Q | 91.1 | Very high | 86.2 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -68.1 | -48.4 | 169.5 | -62.1 | -64.2 | -6 | 0 | 0 | 111.1 | L799 S802 I820 A847 A848 I849 M853 S854 M855 | L799-Q851 HydrophobicContact CD2-CG 3.98Å; S802-Q851 PolarHBondContact O-NE2 3.43Å; S802-Q851 PolarHBondContact OG-NE2 3.36Å; I820-Q851 HydrophobicContact CG2-CB 3.95Å; I820-Q851 HydrophobicContact CG2-CG 4.15Å; A847-Q851 PolarHBondContact O-N 2.98Å; A848-Q851 WeakPolarHBondContact O-CB 3.39Å; A848-Q851 PolarHBondContact O-N 3.48Å; I849-Q851 VanDerWaalsContact C-N 3.33Å; I849-Q851 PolarHBondContact O-N 2.78Å; Q851-M853 VanDerWaalsContact C-N 3.29Å; Q851-M853 PolarHBondContact O-N 2.63Å; Q851-S854 CarbonylContact O-C 3.56Å; Q851-S854 WeakPolarHBondContact O-CA 3.48Å; Q851-S854 PolarHBondContact O-N 3.11Å; Q851-M855 HydrophobicContact CB-CE 4.16Å; Q851-M855 WeakPolarHBondContact O-CG 3.4Å; Q851-M855 PolarHBondContact O-N 2.92Å |
| 852 | L | 91.8 | Very high | 84.3 | Confident | 3 Ų | 3 | 23 Ų | 23 | 2% | 0.016 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -52.6 | -49 | 174.9 | -71.4 | 175.2 | 0 | 0 | 0 | 110.8 | Y821 C824 L828 A848 I849 S854 M855 V856 M890 L894 V913 | Y821-L852 HydrophobicContact CD2-CD2 4.01Å; Y821-L852 HydrophobicContact CE2-CD2 4.17Å; C824-L852 HydrophobicContact CB-CD2 4.33Å; C824-L852 HydrophobicContact CB-CG 4.39Å; L828-L852 HydrophobicContact CD1-CD1 3.47Å; L828-L852 VanDerWaalsContact CD1-CD1 3.47Å; A848-L852 PolarHBondContact O-N 3.42Å; I849-L852 PolarHBondContact O-N 3.49Å; L852-S854 PolarHBondContact O-N 3.2Å; L852-S854 VanDerWaalsContact O-N 3.17Å; L852-M855 HydrophobicContact CD2-CE 3.99Å; L852-M855 PolarHBondContact O-N 2.81Å; L852-V856 WeakPolarHBondContact O-CG2 3.21Å; L852-V856 PolarHBondContact O-N 2.95Å; L852-M890 HydrophobicContact CB-CE 4.5Å; L852-M890 HydrophobicContact CD2-CE 4Å; L852-L894 HydrophobicContact CD1-CD2 4.37Å; L852-V913 HydrophobicContact CB-CG1 4.3Å |
| 853 | M | 89.8 | Confident | 82.3 | Confident | 8 Ų | 8 | 26 Ų | 26 | 4% | 0.039 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -55.8 | -31.3 | 176.4 | -168.5 | -178.9 | -66.5 | 0 | 0 | 113.8 | I849 Q851 L909 V913 Q1654 S1657 | I849-M853 WeakPolarHBondContact O-CB 3.42Å; I849-M853 PolarHBondContact O-N 3.1Å; Q851-M853 VanDerWaalsContact C-N 3.29Å; Q851-M853 PolarHBondContact O-N 2.63Å; M853-L909 HydrophobicContact CE-CB 4.13Å; M853-L909 HydrophobicContact CE-CD2 3.73Å; M853-V913 HydrophobicContact CB-CG2 3.63Å; M853-V913 HydrophobicContact CE-CG2 3.88Å; M853-V913 HydrophobicContact CG-CG2 3.98Å; M853-Q1654 HydrophobicContact CE-CB 3.97Å; M853-Q1654 HydrophobicContact CE-CG 4.19Å; M853-Q1654 HydrophobicContact SD-CB 3.87Å; M853-S1657 PolarHBondContact SD-OG 3.25Å |
| 854 | S | 88.2 | Confident | 80.3 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.007 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -84.8 | -18.2 | 177.7 | -48.8 | 0 | 0 | 0 | 0 | 112.6 | R807 H850 Q851 L852 | R807-S854 PolarHBondContact NE-OG 3.09Å; R807-S854 VanDerWaalsContact NE-OG 3.12Å; H850-S854 PolarHBondContact O-N 3.5Å; H850-S854 PolarHBondContact O-OG 3.02Å; Q851-S854 CarbonylContact O-C 3.56Å; Q851-S854 WeakPolarHBondContact O-CA 3.48Å; Q851-S854 PolarHBondContact O-N 3.11Å; L852-S854 PolarHBondContact O-N 3.2Å; L852-S854 VanDerWaalsContact O-N 3.17Å |
| 855 | M | 87.4 | Confident | 78.4 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -91.7 | -30.2 | 179 | -70 | -174.8 | -70.2 | 0 | 0 | 114.3 | L806 V817 I820 Q851 L852 C857 I858 M890 | L806-M855 HydrophobicContact CD1-CG 3.29Å; L806-M855 HydrophobicContact CD1-SD 4.05Å; V817-M855 HydrophobicContact CG1-CG 4.31Å; V817-M855 HydrophobicContact CG1-SD 3.89Å; V817-M855 HydrophobicContact CG2-CG 4.49Å; I820-M855 HydrophobicContact CB-SD 4.12Å; I820-M855 HydrophobicContact CG2-CE 3.89Å; I820-M855 HydrophobicContact CG2-SD 3.89Å; Q851-M855 HydrophobicContact CB-CE 4.16Å; Q851-M855 WeakPolarHBondContact O-CG 3.4Å; Q851-M855 PolarHBondContact O-N 2.92Å; L852-M855 HydrophobicContact CD2-CE 3.99Å; L852-M855 PolarHBondContact O-N 2.81Å; M855-C857 VanDerWaalsContact C-N 3.32Å; M855-C857 PolarHBondContact O-N 3.17Å; M855-I858 HydrophobicContact CB-CD1 4.31Å; M855-I858 HydrophobicContact CG-CD1 4.24Å; M855-I858 WeakPolarHBondContact O-CB 3.21Å; M855-I858 WeakPolarHBondContact O-CG1 3.44Å; M855-I858 PolarHBondContact O-N 3.25Å; M855-I858 VanDerWaalsContact O-N 3.11Å; M855-M890 HydrophobicContact CB-CE 4.22Å |
| 856 | V | 88 | Confident | 76.6 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46.4 | -52.3 | -173.6 | 170.1 | 0 | 0 | 0 | 0 | 113.4 | L852 I858 K887 M890 V913 A916 L917 | L852-V856 WeakPolarHBondContact O-CG2 3.21Å; L852-V856 PolarHBondContact O-N 2.95Å; V856-I858 VanDerWaalsContact C-N 3.34Å; V856-I858 PolarHBondContact O-N 3.33Å; V856-K887 VanDerWaalsContact O-CE 3.24Å; V856-K887 WeakPolarHBondContact O-CE 3.24Å; V856-K887 PolarHBondContact O-NZ 3.16Å; V856-M890 HydrophobicContact CB-CE 4.45Å; V856-M890 HydrophobicContact CG2-CE 3.74Å; V856-V913 HydrophobicContact CG2-CG1 3.54Å; V856-A916 HydrophobicContact CG1-CB 3.86Å; V856-L917 HydrophobicContact CG1-CB 3.66Å; V856-L917 HydrophobicContact CG1-CD1 4.04Å; V856-L917 HydrophobicContact CG1-CG 4.45Å; V856-L917 VanDerWaalsContact CG1-N 3.27Å; V856-L917 HydrophobicContact CG2-CB 4.49Å |
| 857 | C | 85.5 | Confident | 74.8 | Confident | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.007 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 1.4 | -170.8 | -73.5 | 0 | 0 | 0 | 0 | 113.8 | M855 L1635 S1660 | M855-C857 VanDerWaalsContact C-N 3.32Å; M855-C857 PolarHBondContact O-N 3.17Å; C857-L1635 HydrophobicContact CB-CD2 4.3Å; C857-L1635 WeakPolarHBondContact O-CD2 3.46Å; C857-S1660 VanDerWaalsContact CB-N 3.28Å; C857-S1660 PolarHBondContact SG-N 2.75Å |
| 858 | I | 79 | Confident | 72.9 | Confident | 7 Ų | 7 | 44.1 Ų | 44.1 | 4% | 0.036 | 23% | 0.226 | C | C | . | . | trans | -56 | 128.2 | -176.1 | -68.1 | 178.6 | 0 | 0 | 0 | 109.4 | V817 M855 V856 M883 K887 L1635 | V817-I858 HydrophobicContact CG2-CD1 3.56Å; M855-I858 HydrophobicContact CB-CD1 4.31Å; M855-I858 HydrophobicContact CG-CD1 4.24Å; M855-I858 WeakPolarHBondContact O-CB 3.21Å; M855-I858 WeakPolarHBondContact O-CG1 3.44Å; M855-I858 PolarHBondContact O-N 3.25Å; M855-I858 VanDerWaalsContact O-N 3.11Å; V856-I858 VanDerWaalsContact C-N 3.34Å; V856-I858 PolarHBondContact O-N 3.33Å; I858-M883 HydrophobicContact CB-CE 4.01Å; I858-M883 HydrophobicContact CG2-CE 4.2Å; I858-M883 HydrophobicContact CG2-SD 4.47Å; I858-K887 PolarHBondContact O-NZ 3.02Å; I858-L1635 HydrophobicContact CG1-CD1 4.13Å | ||
| 859 | P | 66.4 | Low | 71 | Confident | 38 Ų | 38 | 46.9 Ų | 46.9 | 25% | 0.247 | 24% | 0.244 | C | C | . | . | trans | -76.6 | 139.6 | -166.9 | -1.7 | 17.9 | 0 | 0 | 0 | 110.2 | Q861 L1635 | P859-Q861 HydrophobicContact CB-CG 3.95Å; P859-Q861 HydrophobicContact CG-CG 4.41Å; P859-Q861 PolarHBondContact O-N 3.19Å; P859-L1635 HydrophobicContact CG-CD2 3.82Å; P859-L1635 HydrophobicContact CG-CG 4.25Å | ||
| 860 | I | 59.8 | Low | 69.2 | Low | 24 Ų | 24 | 49.2 Ų | 49.2 | 12% | 0.123 | 26% | 0.256 | C | S | . | . | trans | -81.5 | 68.2 | 175.8 | -50.4 | 140.2 | 0 | 0 | 0 | 107.6 | F862 K863 M883 N884 K887 | I860-F862 PolarHBondContact O-N 3.48Å; I860-K863 HydrophobicContact CG2-CG 4.04Å; I860-M883 HydrophobicContact CG1-CB 4.44Å; I860-M883 HydrophobicContact CG1-CG 4.18Å; I860-M883 HydrophobicContact CG2-CB 4.47Å; I860-N884 VanDerWaalsContact CD1-OD1 3.23Å; I860-N884 WeakPolarHBondContact CD1-OD1 3.45Å; I860-N884 WeakPolarHBondContact CG1-OD1 3.45Å; I860-N884 WeakPolarHBondContact CG2-OD1 3.22Å; I860-K887 HydrophobicContact CD1-CD 4.22Å | ||
| 861 | Q | 52.7 | Low | 67.6 | Low | 118 Ų | 118 | 49.4 Ų | 49.4 | 55% | 0.551 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -60.1 | -16.6 | -171.3 | -66 | 175 | -20.9 | 0 | 0 | 113.1 | P859 S1633 | P859-Q861 HydrophobicContact CB-CG 3.95Å; P859-Q861 HydrophobicContact CG-CG 4.41Å; P859-Q861 PolarHBondContact O-N 3.19Å; Q861-S1633 PolarHBondContact NE2-O 3.2Å |
| 862 | F | 51 | Low | 65.6 | Low | 145 Ų | 145 | 55 Ų | 55 | 64% | 0.636 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -138.6 | 93.5 | 174.2 | -57.9 | -80.9 | 0 | 0 | 0 | 109.8 | I860 G864 S865 | I860-F862 PolarHBondContact O-N 3.48Å; F862-G864 PolarHBondContact O-N 3.06Å; F862-S865 WeakPolarHBondContact CB-OG 3.35Å; F862-S865 PolarHBondContact O-N 2.97Å; F862-S865 PolarHBondContact O-OG 3.31Å |
| 863 | K | 51.2 | Low | 63.4 | Low | 118 Ų | 118 | 56 Ų | 56 | 51% | 0.513 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 112.8 | 176.4 | -75.3 | -173.1 | 173.8 | -173.9 | 0 | 110.1 | I860 D924 | I860-K863 HydrophobicContact CG2-CG 4.04Å; K863-D924 WeakPolarHBondContact CE-OD2 3.4Å; K863-D924 IonicContact NZ-OD1 2.7Å; K863-D924 IonicContact NZ-OD2 2.85Å; K863-D924 PolarHBondContact NZ-OD2 2.89Å |
| 864 | G | 50.8 | Low | 61.1 | Low | 55 Ų | 55 | 64.2 Ų | 64.2 | 57% | 0.567 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.5 | 2.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | F862 | F862-G864 PolarHBondContact O-N 3.06Š|
| 865 | S | 52 | Low | 58.9 | Low | 54 Ų | 54 | 68.6 Ų | 68.6 | 38% | 0.378 | 37% | 0.37 | S | S | . | . | trans | -77 | 129.4 | 168.4 | 78.1 | 0 | 0 | 0 | 0 | 110.6 | F862 | F862-S865 WeakPolarHBondContact CB-OG 3.35Å; F862-S865 PolarHBondContact O-N 2.97Å; F862-S865 PolarHBondContact O-OG 3.31Å | ||
| 866 | H | 57.9 | Low | 56.9 | Low | 110 Ų | 110 | 71.5 Ų | 71.5 | 51% | 0.509 | 39% | 0.385 | S | S | . | . | B | Isolated β-bridge | trans | -70.4 | 133.8 | 168.1 | -62.5 | -73 | 0 | 0 | 0 | 110.7 | K868 P880 | H866-K868 PolarHBondContact O-N 2.98Å; H866-K868 VanDerWaalsContact O-N 3.14Å; H866-P880 HydrophobicContact CB-CB 3.89Å; H866-P880 HydrophobicContact CB-CG 3.64Å; H866-P880 PolarHBondContact ND1-O 3.06Å |
| 867 | L | 55.6 | Low | 54.8 | Low | 53 Ų | 53 | 79.3 Ų | 79.3 | 28% | 0.277 | 42% | 0.422 | S | S | . | . | trans | -67.2 | 112 | 174.5 | -71 | 169.2 | 0 | 0 | 0 | 108.7 | P818 I886 | P818-L867 HydrophobicContact CG-CD1 3.67Å; L867-I886 HydrophobicContact CD1-CD1 4Å | ||
| 868 | K | 53.7 | Low | 52.9 | Low | 185 Ų | 185 | 86.3 Ų | 86.3 | 80% | 0.804 | 46% | 0.459 | S | S | * | . | trans | -62.3 | 125.4 | 173.2 | -76.4 | -170.9 | 176 | -176.5 | 0 | 108.7 | H866 | H866-K868 PolarHBondContact O-N 2.98Å; H866-K868 VanDerWaalsContact O-N 3.14Å | ||
| 869 | P | 54.5 | Low | 51.5 | Low | 57 Ų | 57 | 93.1 Ų | 93.1 | 37% | 0.37 | 50% | 0.496 | S | S | . | . | trans | -65.9 | 138.5 | 178.4 | 28.6 | -34.8 | 0 | 0 | 0 | 109.9 | I871 | P869-I871 PolarHBondContact O-N 3.43Å; P869-I871 VanDerWaalsContact O-N 3.12Å | ||
| 870 | L | 55.8 | Low | 51.1 | Low | 51 Ų | 51 | 93.8 Ų | 93.8 | 27% | 0.267 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -59.6 | -25 | -177.2 | -162 | 127.8 | 0 | 0 | 0 | 113 | Y776 L777 I815 | Y776-L870 HydrophobicContact CD2-CD1 4.5Å; L777-L870 HydrophobicContact CD2-CD2 3.58Å; L777-L870 HydrophobicContact CG-CD2 4.1Å; I815-L870 HydrophobicContact CB-CD1 3.99Å; I815-L870 HydrophobicContact CD1-CD1 4.18Å; I815-L870 HydrophobicContact CG2-CB 3.84Å; I815-L870 HydrophobicContact CG2-CD1 3.7Å; I815-L870 HydrophobicContact CG2-CG 4.32Å |
| 871 | I | 56.7 | Low | 51.3 | Low | 9 Ų | 9 | 94.5 Ų | 94.5 | 5% | 0.046 | 51% | 0.507 | C | S | . | . | S | Bend | trans | -125.8 | 126 | 166.8 | -59.8 | 124.7 | 0 | 0 | 0 | 107.9 | L777 Y780 Y781 P869 L873 | L777-I871 HydrophobicContact CD2-CD1 3.66Å; L777-I871 HydrophobicContact CD2-CG1 3.77Å; Y780-I871 HydrophobicContact CD1-CD1 3.3Å; Y780-I871 HydrophobicContact CD2-CD1 4.48Å; Y780-I871 HydrophobicContact CE1-CD1 3.37Å; Y780-I871 HydrophobicContact CG-CD1 3.9Å; Y781-I871 HydrophobicContact CE1-CD1 4.25Å; Y781-I871 HydrophobicContact CE2-CD1 4.02Å; Y781-I871 VanDerWaalsContact OH-CD1 3.23Å; Y781-I871 WeakPolarHBondContact OH-CD1 3.29Å; P869-I871 PolarHBondContact O-N 3.43Å; P869-I871 VanDerWaalsContact O-N 3.12Å; I871-L873 HydrophobicContact CB-CD1 4.15Å; I871-L873 HydrophobicContact CG2-CD1 4.01Å; I871-L873 HydrophobicContact CG2-CG 3.96Å; I871-L873 PolarHBondContact O-N 3.3Å |
| 872 | P | 49.5 | Very low | 51.9 | Low | 117 Ų | 117 | 89.5 Ų | 89.5 | 76% | 0.76 | 49% | 0.485 | S | S | * | . | trans | -74.8 | 78.3 | 170.6 | 32 | -33.8 | 0 | 0 | 0 | 110.2 | ||||
| 873 | L | 46.3 | Very low | 52.7 | Low | 23 Ų | 23 | 83.5 Ų | 83.5 | 12% | 0.12 | 46% | 0.459 | C | S | . | . | trans | -73 | 132.5 | 166.4 | -75.4 | 129.6 | 0 | 0 | 0 | 109.1 | Q725 Y780 I871 S875 N876 | Q725-L873 HydrophobicContact CB-CD2 4.35Å; Y780-L873 HydrophobicContact CE1-CD1 3.99Å; Y780-L873 VanDerWaalsContact OH-CD1 3.23Å; Y780-L873 WeakPolarHBondContact OH-CD1 3.41Å; I871-L873 HydrophobicContact CB-CD1 4.15Å; I871-L873 HydrophobicContact CG2-CD1 4.01Å; I871-L873 HydrophobicContact CG2-CG 3.96Å; I871-L873 PolarHBondContact O-N 3.3Å; L873-S875 PolarHBondContact O-N 3.1Å; L873-N876 PolarHBondContact O-N 2.84Å | ||
| 874 | M | 40.7 | Very low | 53.7 | Low | 181 Ų | 181 | 80.8 Ų | 80.8 | 89% | 0.892 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -14.9 | -177.9 | -60.8 | -170.4 | 73.5 | 0 | 0 | 114.2 | ||
| 875 | S | 42.5 | Very low | 54.9 | Low | 93 Ų | 93 | 81.1 Ų | 81.1 | 65% | 0.65 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -10.9 | 177 | 49.8 | 0 | 0 | 0 | 0 | 115.1 | L873 | L873-S875 PolarHBondContact O-N 3.1Š|
| 876 | N | 44.5 | Very low | 56.2 | Low | 62 Ų | 62 | 78.6 Ų | 78.6 | 33% | 0.332 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -94.3 | 0.9 | -175 | -86.8 | -8.9 | 0 | 0 | 0 | 114.8 | L873 N878 | L873-N876 PolarHBondContact O-N 2.84Å; N876-N878 VanDerWaalsContact C-N 3.27Å; N876-N878 PolarHBondContact O-N 2.76Å |
| 877 | E | 44.5 | Very low | 57.2 | Low | 164 Ų | 164 | 73.7 Ų | 73.7 | 77% | 0.766 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -19.6 | -174.7 | -62.1 | -162.3 | 147.9 | 0 | 0 | 114.2 | N879 | E877-N879 PolarHBondContact O-N 2.68Š|
| 878 | N | 45.9 | Very low | 58.4 | Low | 149 Ų | 149 | 73.2 Ų | 73.2 | 80% | 0.797 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -3.9 | -164.8 | -75.3 | -13.3 | 0 | 0 | 0 | 117.1 | N876 | N876-N878 VanDerWaalsContact C-N 3.27Å; N876-N878 PolarHBondContact O-N 2.76Å |
| 879 | N | 49.3 | Very low | 59.8 | Low | 150 Ų | 150 | 68.6 Ų | 68.6 | 80% | 0.802 | 38% | 0.378 | S | S | * | . | trans | 173 | 101.5 | 157.2 | -96.3 | -33.6 | 0 | 0 | 0 | 109.8 | E877 C881 | E877-N879 PolarHBondContact O-N 2.68Å; N879-C881 PolarHBondContact O-N 3.29Å | ||
| 880 | P | 58 | Low | 61.4 | Low | 52 Ų | 52 | 65.9 Ų | 65.9 | 34% | 0.338 | 36% | 0.361 | S | S | . | . | trans | -73.1 | 113 | 178.4 | 28 | -32.9 | 0 | 0 | 0 | 111.1 | H866 S882 | H866-P880 HydrophobicContact CB-CB 3.89Å; H866-P880 HydrophobicContact CB-CG 3.64Å; H866-P880 PolarHBondContact ND1-O 3.06Å; P880-S882 PolarHBondContact O-N 3.47Å | ||
| 881 | C | 63.9 | Low | 63 | Low | 39 Ų | 39 | 64 Ų | 64 | 26% | 0.264 | 35% | 0.351 | S | S | . | . | trans | -56 | 126.5 | -177.6 | -164.9 | 0 | 0 | 0 | 0 | 111.9 | N879 D885 | N879-C881 PolarHBondContact O-N 3.29Å; C881-D885 VanDerWaalsContact SG-CB 3.58Å | ||
| 882 | S | 66.4 | Low | 64.4 | Low | 13 Ų | 13 | 68 Ų | 68 | 9% | 0.091 | 37% | 0.373 | C | S | . | . | B | Isolated β-bridge | trans | -82.3 | 160.8 | 173.3 | 79.2 | 0 | 0 | 0 | 0 | 111.1 | P880 N884 D885 I886 | P880-S882 PolarHBondContact O-N 3.47Å; S882-N884 PolarHBondContact O-N 3.07Å; S882-N884 PolarHBondContact OG-N 3.27Å; S882-D885 WeakPolarHBondContact CA-OD2 3.32Å; S882-D885 WeakPolarHBondContact CB-OD2 3.28Å; S882-D885 PolarHBondContact N-OD2 3.08Å; S882-D885 WeakPolarHBondContact O-CB 3.31Å; S882-D885 PolarHBondContact O-N 3.02Å; S882-D885 PolarHBondContact OG-N 3.31Å; S882-D885 PolarHBondContact OG-OD2 2.85Å; S882-I886 PolarHBondContact O-N 3.26Å; S882-I886 VanDerWaalsContact O-N 3.09Å |
| 883 | M | 68.2 | Low | 66.3 | Low | 18 Ų | 18 | 62.7 Ų | 62.7 | 9% | 0.089 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.5 | -25.7 | 176.7 | -166.5 | 65.8 | -151.9 | 0 | 0 | 112.6 | V817 I858 I860 I886 K887 | V817-M883 HydrophobicContact CG1-CE 4.22Å; V817-M883 HydrophobicContact CG1-SD 4.29Å; I858-M883 HydrophobicContact CB-CE 4.01Å; I858-M883 HydrophobicContact CG2-CE 4.2Å; I858-M883 HydrophobicContact CG2-SD 4.47Å; I860-M883 HydrophobicContact CG1-CB 4.44Å; I860-M883 HydrophobicContact CG1-CG 4.18Å; I860-M883 HydrophobicContact CG2-CB 4.47Å; M883-I886 HydrophobicContact CE-CG2 4.44Å; M883-I886 HydrophobicContact SD-CD1 4.28Å; M883-K887 PolarHBondContact O-N 2.87Å; M883-K887 VanDerWaalsContact O-N 3.1Å |
| 884 | N | 72.3 | Confident | 68.5 | Low | 61 Ų | 61 | 61.7 Ų | 61.7 | 33% | 0.326 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -70.9 | -39.6 | 172.7 | -80.3 | 14.4 | 0 | 0 | 0 | 111.8 | I860 S882 I886 K887 N888 | I860-N884 VanDerWaalsContact CD1-OD1 3.23Å; I860-N884 WeakPolarHBondContact CD1-OD1 3.45Å; I860-N884 WeakPolarHBondContact CG1-OD1 3.45Å; I860-N884 WeakPolarHBondContact CG2-OD1 3.22Å; S882-N884 PolarHBondContact O-N 3.07Å; S882-N884 PolarHBondContact OG-N 3.27Å; N884-I886 VanDerWaalsContact C-N 3.31Å; N884-I886 PolarHBondContact O-N 3.1Å; N884-K887 PolarHBondContact O-N 3.29Å; N884-N888 WeakPolarHBondContact O-CB 3.46Å; N884-N888 VanDerWaalsContact O-CG 3.31Å; N884-N888 PolarHBondContact O-N 3.22Å; N884-N888 PolarHBondContact O-ND2 3.15Å |
| 885 | D | 75.7 | Confident | 70.9 | Confident | 63 Ų | 63 | 53.7 Ų | 53.7 | 34% | 0.337 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.8 | -41.7 | 175.9 | -55.1 | -46.4 | 0 | 0 | 0 | 110.1 | C881 S882 K887 N888 M889 | C881-D885 VanDerWaalsContact SG-CB 3.58Å; S882-D885 WeakPolarHBondContact CA-OD2 3.32Å; S882-D885 WeakPolarHBondContact CB-OD2 3.28Å; S882-D885 PolarHBondContact N-OD2 3.08Å; S882-D885 WeakPolarHBondContact O-CB 3.31Å; S882-D885 PolarHBondContact O-N 3.02Å; S882-D885 PolarHBondContact OG-N 3.31Å; S882-D885 PolarHBondContact OG-OD2 2.85Å; D885-K887 PolarHBondContact O-N 3.23Å; D885-N888 PolarHBondContact O-N 3.48Å; D885-M889 HydrophobicContact CB-CE 4.37Å; D885-M889 WeakPolarHBondContact O-CB 3.19Å; D885-M889 WeakPolarHBondContact O-CG 3.34Å; D885-M889 PolarHBondContact O-N 3.5Å |
| 886 | I | 77.6 | Confident | 73.2 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.4 | -46.8 | 173.3 | -60.7 | 176.6 | 0 | 0 | 0 | 111.1 | V817 P818 Y821 L867 S882 M883 N884 N888 M889 M890 | V817-I886 HydrophobicContact CG1-CD1 4.33Å; P818-I886 HydrophobicContact CB-CD1 4.23Å; P818-I886 HydrophobicContact CG-CD1 3.93Å; Y821-I886 HydrophobicContact CD1-CG2 4.3Å; Y821-I886 HydrophobicContact CD2-CG2 4.39Å; Y821-I886 HydrophobicContact CG-CG2 4.11Å; L867-I886 HydrophobicContact CD1-CD1 4Å; S882-I886 PolarHBondContact O-N 3.26Å; S882-I886 VanDerWaalsContact O-N 3.09Å; M883-I886 HydrophobicContact CE-CG2 4.44Å; M883-I886 HydrophobicContact SD-CD1 4.28Å; N884-I886 VanDerWaalsContact C-N 3.31Å; N884-I886 PolarHBondContact O-N 3.1Å; I886-N888 VanDerWaalsContact C-N 3.34Å; I886-N888 PolarHBondContact O-N 3.31Å; I886-M889 PolarHBondContact O-N 2.91Å; I886-M890 HydrophobicContact CG2-CG 4.36Å; I886-M890 HydrophobicContact CG2-SD 4.16Å; I886-M890 WeakPolarHBondContact O-CB 3.4Å; I886-M890 VanDerWaalsContact O-CG 3.26Å; I886-M890 WeakPolarHBondContact O-CG 3.47Å; I886-M890 PolarHBondContact O-N 2.82Å |
| 887 | K | 80.7 | Confident | 75.5 | Confident | 6 Ų | 6 | 50.2 Ų | 50.2 | 3% | 0.026 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.4 | -40.4 | 176.5 | -74.5 | -169.8 | -179.6 | -176.1 | 0 | 112.4 | V856 I858 I860 M883 N884 D885 M890 V891 L917 D920 | V856-K887 VanDerWaalsContact O-CE 3.24Å; V856-K887 WeakPolarHBondContact O-CE 3.24Å; V856-K887 PolarHBondContact O-NZ 3.16Å; I858-K887 PolarHBondContact O-NZ 3.02Å; I860-K887 HydrophobicContact CD1-CD 4.22Å; M883-K887 PolarHBondContact O-N 2.87Å; M883-K887 VanDerWaalsContact O-N 3.1Å; N884-K887 PolarHBondContact O-N 3.29Å; D885-K887 PolarHBondContact O-N 3.23Å; K887-M890 WeakPolarHBondContact O-CB 3.37Å; K887-M890 PolarHBondContact O-N 3.32Å; K887-V891 PolarHBondContact O-N 3.48Å; K887-V891 VanDerWaalsContact O-N 3.08Å; K887-L917 HydrophobicContact CB-CD1 4.4Å; K887-L917 HydrophobicContact CD-CD1 4.31Å; K887-L917 HydrophobicContact CG-CD1 4.25Å; K887-D920 IonicContact NZ-OD2 3.62Å; K887-D920 PolarHBondContact NZ-OD2 2.96Å |
| 888 | N | 79.4 | Confident | 77.9 | Confident | 44 Ų | 44 | 42.4 Ų | 42.4 | 24% | 0.235 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.8 | -39 | 176.1 | -70.9 | -21.6 | 0 | 0 | 0 | 112.4 | N884 D885 I886 V891 | N884-N888 WeakPolarHBondContact O-CB 3.46Å; N884-N888 VanDerWaalsContact O-CG 3.31Å; N884-N888 PolarHBondContact O-N 3.22Å; N884-N888 PolarHBondContact O-ND2 3.15Å; D885-N888 PolarHBondContact O-N 3.48Å; I886-N888 VanDerWaalsContact C-N 3.34Å; I886-N888 PolarHBondContact O-N 3.31Å; N888-V891 PolarHBondContact O-N 3.23Å |
| 889 | M | 84.3 | Confident | 80.1 | Confident | 87 Ų | 87 | 38.1 Ų | 38.1 | 43% | 0.429 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -67.1 | -38.4 | 172.9 | -65 | 172.8 | -172.9 | 0 | 0 | 111 | Y821 D885 I886 V891 N892 I893 | Y821-M889 HydrophobicContact CE1-CB 3.94Å; Y821-M889 HydrophobicContact CE1-SD 4.35Å; Y821-M889 WeakPolarHBondContact OH-CB 3.33Å; Y821-M889 PolarHBondContact OH-O 3.08Å; Y821-M889 VanDerWaalsContact OH-O 3.07Å; D885-M889 HydrophobicContact CB-CE 4.37Å; D885-M889 WeakPolarHBondContact O-CB 3.19Å; D885-M889 WeakPolarHBondContact O-CG 3.34Å; D885-M889 PolarHBondContact O-N 3.5Å; I886-M889 PolarHBondContact O-N 2.91Å; M889-V891 VanDerWaalsContact C-N 3.33Å; M889-V891 PolarHBondContact O-N 3.27Å; M889-N892 PolarHBondContact O-N 2.74Å; M889-I893 WeakPolarHBondContact O-CG1 3.36Å; M889-I893 PolarHBondContact O-N 2.64Å; M889-I893 VanDerWaalsContact O-N 3.11Å |
| 890 | M | 87.2 | Confident | 82.1 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.7 | -41.3 | 174.3 | -74.7 | 175.2 | 80.4 | 0 | 0 | 111.9 | Y821 L852 M855 V856 I886 K887 N892 I893 L894 L917 | Y821-M890 HydrophobicContact CD2-CG 3.83Å; Y821-M890 HydrophobicContact CE2-CB 4.36Å; Y821-M890 HydrophobicContact CE2-CG 3.37Å; Y821-M890 PolarHBondContact OH-N 3.44Å; L852-M890 HydrophobicContact CB-CE 4.5Å; L852-M890 HydrophobicContact CD2-CE 4Å; M855-M890 HydrophobicContact CB-CE 4.22Å; V856-M890 HydrophobicContact CB-CE 4.45Å; V856-M890 HydrophobicContact CG2-CE 3.74Å; I886-M890 HydrophobicContact CG2-CG 4.36Å; I886-M890 HydrophobicContact CG2-SD 4.16Å; I886-M890 WeakPolarHBondContact O-CB 3.4Å; I886-M890 VanDerWaalsContact O-CG 3.26Å; I886-M890 WeakPolarHBondContact O-CG 3.47Å; I886-M890 PolarHBondContact O-N 2.82Å; K887-M890 WeakPolarHBondContact O-CB 3.37Å; K887-M890 PolarHBondContact O-N 3.32Å; M890-N892 PolarHBondContact O-N 3.2Å; M890-I893 PolarHBondContact O-N 3.1Å; M890-L894 WeakPolarHBondContact O-CB 3.4Å; M890-L894 WeakPolarHBondContact O-CD1 3.21Å; M890-L894 WeakPolarHBondContact O-CG 3.36Å; M890-L894 PolarHBondContact O-N 3.27Å; M890-L917 HydrophobicContact CB-CD2 4.16Å |
| 891 | V | 88.6 | Confident | 83.8 | Confident | 11 Ų | 11 | 32.5 Ų | 32.5 | 7% | 0.067 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -53.2 | -52.3 | 174.1 | 165.6 | 0 | 0 | 0 | 0 | 111.3 | K887 N888 M889 I893 L894 C895 L917 M921 F944 | K887-V891 PolarHBondContact O-N 3.48Å; K887-V891 VanDerWaalsContact O-N 3.08Å; N888-V891 PolarHBondContact O-N 3.23Å; M889-V891 VanDerWaalsContact C-N 3.33Å; M889-V891 PolarHBondContact O-N 3.27Å; V891-I893 PolarHBondContact O-N 3.43Å; V891-L894 PolarHBondContact O-N 3.22Å; V891-C895 PolarHBondContact O-N 2.82Å; V891-L917 HydrophobicContact CG2-CD2 3.76Å; V891-M921 HydrophobicContact CG2-SD 4.18Å; V891-F944 HydrophobicContact CB-CD2 4.21Å; V891-F944 HydrophobicContact CB-CE2 4.38Å; V891-F944 HydrophobicContact CB-CG 4.44Å; V891-F944 HydrophobicContact CG1-CB 4.22Å; V891-F944 HydrophobicContact CG1-CD2 3.39Å; V891-F944 HydrophobicContact CG1-CE2 3.84Å; V891-F944 HydrophobicContact CG1-CG 3.86Å; V891-F944 HydrophobicContact CG2-CB 4.26Å; V891-F944 HydrophobicContact CG2-CD1 3.76Å; V891-F944 HydrophobicContact CG2-CD2 3.95Å; V891-F944 HydrophobicContact CG2-CE1 4.01Å; V891-F944 HydrophobicContact CG2-CE2 4.18Å; V891-F944 HydrophobicContact CG2-CG 3.74Å; V891-F944 HydrophobicContact CG2-CZ 4.22Å |
| 892 | N | 86.9 | Confident | 85 | Confident | 94 Ų | 94 | 38.7 Ų | 38.7 | 50% | 0.503 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.6 | -48.8 | -177.7 | -65.1 | -30.1 | 0 | 0 | 0 | 111.4 | M889 M890 L894 C895 D896 | M889-N892 PolarHBondContact O-N 2.74Å; M890-N892 PolarHBondContact O-N 3.2Å; N892-L894 VanDerWaalsContact C-N 3.35Å; N892-L894 PolarHBondContact O-N 3.07Å; N892-C895 PolarHBondContact O-N 2.89Å; N892-D896 PolarHBondContact O-N 3.48Å |
| 893 | I | 89.8 | Confident | 86.3 | Confident | 5 Ų | 5 | 39.8 Ų | 39.8 | 3% | 0.026 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.2 | -41.9 | 178.3 | -59.4 | -164.7 | 0 | 0 | 0 | 111.3 | Y821 Q825 L828 M889 M890 V891 C895 D896 T897 | Y821-I893 HydrophobicContact CE2-CD1 4.17Å; Y821-I893 WeakPolarHBondContact OH-CD1 3.46Å; Y821-I893 WeakPolarHBondContact OH-CG1 3.49Å; Q825-I893 HydrophobicContact CB-CD1 3.47Å; Q825-I893 VanDerWaalsContact CB-CD1 3.47Å; Q825-I893 HydrophobicContact CG-CD1 3.43Å; Q825-I893 VanDerWaalsContact CG-CD1 3.43Å; L828-I893 HydrophobicContact CD1-CG2 4.37Å; M889-I893 WeakPolarHBondContact O-CG1 3.36Å; M889-I893 PolarHBondContact O-N 2.64Å; M889-I893 VanDerWaalsContact O-N 3.11Å; M890-I893 PolarHBondContact O-N 3.1Å; V891-I893 PolarHBondContact O-N 3.43Å; I893-C895 VanDerWaalsContact C-N 3.34Å; I893-C895 PolarHBondContact O-N 2.82Å; I893-D896 PolarHBondContact O-N 3.17Å; I893-T897 VanDerWaalsContact O-CB 3.31Å; I893-T897 WeakPolarHBondContact O-CB 3.34Å; I893-T897 PolarHBondContact O-N 3.39Å; I893-T897 PolarHBondContact O-OG1 2.92Å |
| 894 | L | 92 | Very high | 87.5 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63 | -40.8 | 179.9 | -72.6 | 167.2 | 0 | 0 | 0 | 111.9 | L852 M890 V891 N892 L898 L910 V913 L917 | L852-L894 HydrophobicContact CD1-CD2 4.37Å; M890-L894 WeakPolarHBondContact O-CB 3.4Å; M890-L894 WeakPolarHBondContact O-CD1 3.21Å; M890-L894 WeakPolarHBondContact O-CG 3.36Å; M890-L894 PolarHBondContact O-N 3.27Å; V891-L894 PolarHBondContact O-N 3.22Å; N892-L894 VanDerWaalsContact C-N 3.35Å; N892-L894 PolarHBondContact O-N 3.07Å; L894-L898 WeakPolarHBondContact O-CB 3.43Å; L894-L898 WeakPolarHBondContact O-CD1 2.97Å; L894-L898 VanDerWaalsContact O-CG 3.22Å; L894-L898 WeakPolarHBondContact O-CG 3.47Å; L894-L898 PolarHBondContact O-N 3.41Å; L894-L910 HydrophobicContact CD2-CD2 3.69Å; L894-V913 HydrophobicContact CD1-CG1 3.93Å; L894-V913 HydrophobicContact CD2-CB 4.28Å; L894-V913 HydrophobicContact CD2-CG1 3.54Å; L894-V913 HydrophobicContact CG-CG1 4.4Å; L894-L917 HydrophobicContact CD1-CD2 3.59Å |
| 895 | C | 92.2 | Very high | 88.4 | Confident | 13 Ų | 13 | 40.4 Ų | 40.4 | 9% | 0.088 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66 | -43.9 | 174.8 | -70.2 | 0 | 0 | 0 | 0 | 112.4 | V891 N892 I893 S899 I947 L951 | V891-C895 PolarHBondContact O-N 2.82Å; N892-C895 PolarHBondContact O-N 2.89Å; I893-C895 VanDerWaalsContact C-N 3.34Å; I893-C895 PolarHBondContact O-N 2.82Å; C895-S899 PolarHBondContact O-N 3.11Å; C895-S899 VanDerWaalsContact O-N 3.15Å; C895-S899 PolarHBondContact O-OG 3.08Å; C895-I947 HydrophobicContact CB-CG2 4.39Å; C895-L951 HydrophobicContact CB-CD2 4.11Å |
| 896 | D | 91 | Very high | 89.3 | Confident | 78 Ų | 78 | 37.4 Ų | 37.4 | 42% | 0.417 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -58.1 | -51.7 | 174.5 | -65.3 | -23.8 | 0 | 0 | 0 | 110.8 | K829 N892 I893 S899 S900 | K829-D896 WeakPolarHBondContact CE-OD2 3.07Å; K829-D896 IonicContact NZ-OD2 3.07Å; K829-D896 PolarHBondContact NZ-OD2 3.13Å; N892-D896 PolarHBondContact O-N 3.48Å; I893-D896 PolarHBondContact O-N 3.17Å; D896-S899 WeakPolarHBondContact O-CB 3.39Å; D896-S899 PolarHBondContact O-N 3.47Å; D896-S900 PolarHBondContact O-N 2.92Å; D896-S900 VanDerWaalsContact O-N 3.14Å; D896-S900 PolarHBondContact O-OG 3.46Å |
| 897 | T | 92.8 | Very high | 90.2 | Very high | 5 Ų | 5 | 37.3 Ų | 37.3 | 3% | 0.031 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -70 | -36.5 | -175.9 | -53 | 0 | 0 | 0 | 0 | 112.5 | L828 I893 S899 S900 T901 L910 | L828-T897 HydrophobicContact CD2-CG2 4.1Å; I893-T897 VanDerWaalsContact O-CB 3.31Å; I893-T897 WeakPolarHBondContact O-CB 3.34Å; I893-T897 PolarHBondContact O-N 3.39Å; I893-T897 PolarHBondContact O-OG1 2.92Å; T897-S899 PolarHBondContact O-N 2.82Å; T897-S900 PolarHBondContact O-N 3.42Å; T897-S900 PolarHBondContact O-OG 2.91Å; T897-T901 WeakPolarHBondContact CG2-OG1 3.39Å; T897-T901 VanDerWaalsContact O-CB 3.27Å; T897-T901 WeakPolarHBondContact O-CB 3.23Å; T897-T901 PolarHBondContact O-N 3.25Å; T897-T901 PolarHBondContact O-OG1 3.02Å; T897-L910 HydrophobicContact CG2-CD1 3.65Å; T897-L910 HydrophobicContact CG2-CD2 4.17Å |
| 898 | L | 94.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.5 | -32.2 | 172.2 | -80.8 | 167.6 | 0 | 0 | 0 | 112.1 | L894 F907 L910 L911 A914 L948 L951 L952 | L894-L898 WeakPolarHBondContact O-CB 3.43Å; L894-L898 WeakPolarHBondContact O-CD1 2.97Å; L894-L898 VanDerWaalsContact O-CG 3.22Å; L894-L898 WeakPolarHBondContact O-CG 3.47Å; L894-L898 PolarHBondContact O-N 3.41Å; L898-F907 HydrophobicContact CD2-CD2 3.96Å; L898-F907 HydrophobicContact CD2-CE2 3.73Å; L898-F907 HydrophobicContact CD2-CZ 4.35Å; L898-F907 WeakPolarHBondContact O-CE2 3.21Å; L898-L910 HydrophobicContact CD2-CB 3.63Å; L898-L910 HydrophobicContact CG-CB 4.18Å; L898-L911 HydrophobicContact CD2-CD2 3.91Å; L898-L911 HydrophobicContact CD2-CG 4.32Å; L898-A914 HydrophobicContact CD1-CB 4.14Å; L898-L948 HydrophobicContact CD1-CD1 3.95Å; L898-L951 HydrophobicContact CB-CD2 4.13Å; L898-L952 HydrophobicContact CD1-CD2 4.25Å |
| 899 | S | 91.6 | Very high | 91.4 | Very high | 59 Ų | 59 | 35.7 Ų | 35.7 | 41% | 0.413 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -70.3 | -43.5 | 176.9 | -56 | 0 | 0 | 0 | 0 | 111.4 | C895 D896 T897 L951 K959 | C895-S899 PolarHBondContact O-N 3.11Å; C895-S899 VanDerWaalsContact O-N 3.15Å; C895-S899 PolarHBondContact O-OG 3.08Å; D896-S899 WeakPolarHBondContact O-CB 3.39Å; D896-S899 PolarHBondContact O-N 3.47Å; T897-S899 PolarHBondContact O-N 2.82Å; S899-L951 WeakPolarHBondContact OG-CD1 3.22Å; S899-K959 PolarHBondContact O-NZ 3.16Å |
| 900 | S | 91 | Very high | 92 | Very high | 75 Ų | 75 | 31.6 Ų | 31.6 | 52% | 0.524 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -83.3 | -37.2 | -176.7 | 60.9 | 0 | 0 | 0 | 0 | 114.9 | D896 T897 E902 K959 | D896-S900 PolarHBondContact O-N 2.92Å; D896-S900 VanDerWaalsContact O-N 3.14Å; D896-S900 PolarHBondContact O-OG 3.46Å; T897-S900 PolarHBondContact O-N 3.42Å; T897-S900 PolarHBondContact O-OG 2.91Å; S900-E902 PolarHBondContact O-N 2.72Å; S900-K959 PolarHBondContact O-NZ 3.23Å |
| 901 | T | 93.1 | Very high | 92.4 | Very high | 9 Ų | 9 | 31.5 Ų | 31.5 | 6% | 0.055 | 18% | 0.179 | C | C | . | . | trans | -55.8 | 128.2 | -168.6 | -63.3 | 0 | 0 | 0 | 0 | 114.2 | T897 N906 F907 L910 K959 | T897-T901 WeakPolarHBondContact CG2-OG1 3.39Å; T897-T901 VanDerWaalsContact O-CB 3.27Å; T897-T901 WeakPolarHBondContact O-CB 3.23Å; T897-T901 PolarHBondContact O-N 3.25Å; T897-T901 PolarHBondContact O-OG1 3.02Å; T901-N906 HydrophobicContact CG2-CB 3.87Å; T901-F907 HydrophobicContact CG2-CB 4.1Å; T901-L910 HydrophobicContact CG2-CD1 4.26Å; T901-L910 WeakPolarHBondContact OG1-CD1 3.25Å; T901-K959 WeakPolarHBondContact O-CE 3.41Å; T901-K959 PolarHBondContact O-NZ 3.22Å | ||
| 902 | E | 90.9 | Very high | 92.6 | Very high | 168 Ų | 168 | 31.1 Ų | 31.1 | 79% | 0.785 | 18% | 0.177 | S | C | * | . | trans | -107 | -17.6 | 177.1 | -58.1 | -167.8 | 152.7 | 0 | 0 | 114.3 | S900 W960 | S900-E902 PolarHBondContact O-N 2.72Å; E902-W960 VanDerWaalsContact O-CH2 3.27Å; E902-W960 WeakPolarHBondContact O-CH2 3.32Å | ||
| 903 | D | 93.1 | Very high | 93 | Very high | 36 Ų | 36 | 26.7 Ų | 26.7 | 19% | 0.193 | 15% | 0.153 | C | C | . | . | trans | -77.4 | 124.4 | 176.9 | 175.2 | 76.6 | 0 | 0 | 0 | 110.6 | T842 R846 V905 N906 F907 | T842-D903 HydrophobicContact CG2-CB 4.14Å; R846-D903 IonicContact CZ-OD2 3.23Å; R846-D903 IonicContact NH2-OD1 2.75Å; R846-D903 PolarHBondContact NH2-OD1 2.82Å; R846-D903 IonicContact NH2-OD2 3.88Å; R846-D903 PolarHBondContact NH2-OD2 3.03Å; D903-V905 VanDerWaalsContact C-N 3.33Å; D903-V905 PolarHBondContact O-N 3.21Å; D903-V905 PolarHBondContact OD2-N 3.13Å; D903-N906 HydrophobicContact CB-CB 4.05Å; D903-N906 PolarHBondContact O-N 3.03Å; D903-N906 WeakPolarHBondContact OD2-CB 3.46Å; D903-N906 PolarHBondContact OD2-N 3.06Å; D903-N906 PolarHBondContact OD2-OD1 3.39Å; D903-F907 WeakPolarHBondContact O-CB 3.49Å; D903-F907 PolarHBondContact O-N 2.85Å | ||
| 904 | P | 93 | Very high | 93.2 | Very high | 44 Ų | 44 | 26.5 Ų | 26.5 | 29% | 0.286 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -66.2 | -33.5 | -172.4 | 24.8 | -34.3 | 0 | 0 | 0 | 112.9 | Q908 W960 V966 | P904-Q908 VanDerWaalsContact O-CG 3.29Å; P904-Q908 WeakPolarHBondContact O-CG 3.47Å; P904-Q908 PolarHBondContact O-N 3.17Å; P904-W960 HydrophobicContact CB-CH2 3.97Å; P904-W960 HydrophobicContact CB-CZ3 4.05Å; P904-V966 HydrophobicContact CB-CG2 3.47Å; P904-V966 VanDerWaalsContact CB-CG2 3.47Å |
| 905 | V | 92.2 | Very high | 93.4 | Very high | 48 Ų | 48 | 26.5 Ų | 26.5 | 29% | 0.291 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -71.7 | -47.8 | 179 | -179.4 | 0 | 0 | 0 | 0 | 110.1 | D903 F907 Q908 L909 | D903-V905 VanDerWaalsContact C-N 3.33Å; D903-V905 PolarHBondContact O-N 3.21Å; D903-V905 PolarHBondContact OD2-N 3.13Å; V905-F907 VanDerWaalsContact C-N 3.27Å; V905-F907 PolarHBondContact O-N 3.37Å; V905-Q908 PolarHBondContact O-N 3.05Å; V905-L909 HydrophobicContact CG1-CD1 4.16Å; V905-L909 HydrophobicContact CG1-CG 4.48Å; V905-L909 VanDerWaalsContact O-CG 3.31Å; V905-L909 WeakPolarHBondContact O-CG 3.38Å; V905-L909 PolarHBondContact O-N 3.12Å |
| 906 | N | 94 | Very high | 93.5 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.4 | -41 | 175.2 | -72 | 0.7 | 0 | 0 | 0 | 111.1 | T842 R846 I849 T901 D903 L909 L910 | T842-N906 PolarHBondContact O-ND2 3.2Å; R846-N906 WeakPolarHBondContact CB-OD1 3.31Å; R846-N906 WeakPolarHBondContact CG-OD1 3.31Å; R846-N906 PolarHBondContact NE-OD1 2.82Å; I849-N906 HydrophobicContact CD1-CB 3.67Å; T901-N906 HydrophobicContact CG2-CB 3.87Å; D903-N906 HydrophobicContact CB-CB 4.05Å; D903-N906 PolarHBondContact O-N 3.03Å; D903-N906 WeakPolarHBondContact OD2-CB 3.46Å; D903-N906 PolarHBondContact OD2-N 3.06Å; D903-N906 PolarHBondContact OD2-OD1 3.39Å; N906-L909 PolarHBondContact O-N 3.04Å; N906-L910 WeakPolarHBondContact O-CB 3.26Å; N906-L910 WeakPolarHBondContact O-CD1 3.44Å; N906-L910 VanDerWaalsContact O-CG 3.28Å; N906-L910 WeakPolarHBondContact O-CG 3.47Å; N906-L910 PolarHBondContact O-N 3.43Å |
| 907 | F | 95.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.5 | -47.6 | 175.2 | -171 | -99.2 | 0 | 0 | 0 | 111.9 | L898 T901 D903 V905 L909 L910 L911 N955 W960 V966 L970 | L898-F907 HydrophobicContact CD2-CD2 3.96Å; L898-F907 HydrophobicContact CD2-CE2 3.73Å; L898-F907 HydrophobicContact CD2-CZ 4.35Å; L898-F907 WeakPolarHBondContact O-CE2 3.21Å; T901-F907 HydrophobicContact CG2-CB 4.1Å; D903-F907 WeakPolarHBondContact O-CB 3.49Å; D903-F907 PolarHBondContact O-N 2.85Å; V905-F907 VanDerWaalsContact C-N 3.27Å; V905-F907 PolarHBondContact O-N 3.37Å; F907-L909 VanDerWaalsContact C-N 3.35Å; F907-L909 PolarHBondContact O-N 3.03Å; F907-L910 PolarHBondContact O-N 2.74Å; F907-L911 HydrophobicContact CD1-CD1 3.88Å; F907-L911 HydrophobicContact CD1-CG 4.18Å; F907-L911 HydrophobicContact CE1-CD1 3.65Å; F907-L911 HydrophobicContact CE1-CD2 4.08Å; F907-L911 HydrophobicContact CE1-CG 3.98Å; F907-L911 HydrophobicContact CZ-CD1 4.47Å; F907-L911 HydrophobicContact CZ-CD2 4.09Å; F907-L911 HydrophobicContact CZ-CG 4.41Å; F907-L911 WeakPolarHBondContact O-CG 3.44Å; F907-L911 PolarHBondContact O-N 3.21Å; F907-N955 HydrophobicContact CZ-CB 4.11Å; F907-W960 HydrophobicContact CB-CZ2 3.85Å; F907-W960 AromaticContact CD1-CE2 3.84Å; F907-W960 HydrophobicContact CD1-CZ2 4.17Å; F907-W960 AromaticContact CD1-NE1 3.48Å; F907-W960 HydrophobicContact CD2-CZ2 4.23Å; F907-W960 AromaticContact CD2-NE1 3.52Å; F907-W960 AromaticContact CE1-CD1 3.52Å; F907-W960 HydrophobicContact CE1-CG 4.34Å; F907-W960 AromaticContact CE1-NE1 3.33Å; F907-W960 VanDerWaalsContact CE1-NE1 3.33Å; F907-W960 AromaticContact CE2-NE1 3.39Å; F907-W960 AromaticContact CG-CE2 3.86Å; F907-W960 AromaticContact CG-CZ2 3.83Å; F907-W960 HydrophobicContact CG-CZ2 3.83Å; F907-W960 AromaticContact CG-NE1 3.57Å; F907-W960 AromaticContact CZ-CD1 3.53Å; F907-W960 AromaticContact CZ-NE1 3.3Å; F907-W960 VanDerWaalsContact CZ-NE1 3.3Å; F907-V966 HydrophobicContact CD1-CG1 3.48Å; F907-V966 VanDerWaalsContact CD1-CG1 3.48Å; F907-V966 HydrophobicContact CE1-CG1 3.67Å; F907-L970 HydrophobicContact CE1-CD1 4.43Å; F907-L970 HydrophobicContact CE1-CD2 4.26Å; F907-L970 HydrophobicContact CZ-CD2 4.49Å |
| 908 | Q | 94.1 | Very high | 93.5 | Very high | 14 Ų | 14 | 22.2 Ų | 22.2 | 7% | 0.065 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.9 | -39.6 | 175.8 | -73.1 | 175.2 | -11.2 | 0 | 0 | 113.2 | P904 V905 S912 S965 Y969 | P904-Q908 VanDerWaalsContact O-CG 3.29Å; P904-Q908 WeakPolarHBondContact O-CG 3.47Å; P904-Q908 PolarHBondContact O-N 3.17Å; V905-Q908 PolarHBondContact O-N 3.05Å; Q908-S912 PolarHBondContact O-N 2.99Å; Q908-S912 PolarHBondContact O-OG 3.26Å; Q908-S965 PolarHBondContact NE2-O 3.34Å; Q908-S965 PolarHBondContact NE2-OG 3.17Å; Q908-Y969 HydrophobicContact CB-CD1 4.07Å; Q908-Y969 HydrophobicContact CB-CD2 4.49Å; Q908-Y969 HydrophobicContact CB-CE1 4.15Å; Q908-Y969 HydrophobicContact CB-CG 4.26Å; Q908-Y969 HydrophobicContact CG-CD1 3.92Å; Q908-Y969 HydrophobicContact CG-CD2 4.2Å; Q908-Y969 HydrophobicContact CG-CE1 4.49Å; Q908-Y969 HydrophobicContact CG-CG 3.76Å; Q908-Y969 WeakPolarHBondContact O-CE1 3.47Å |
| 909 | L | 93 | Very high | 93.3 | Very high | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.01 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.8 | -48.4 | 173.5 | -66.2 | 170 | 0 | 0 | 0 | 110.5 | R846 I849 M853 V905 N906 F907 L911 S912 V913 Q1654 | R846-L909 HydrophobicContact CG-CD1 3.81Å; I849-L909 HydrophobicContact CG2-CB 3.63Å; M853-L909 HydrophobicContact CE-CB 4.13Å; M853-L909 HydrophobicContact CE-CD2 3.73Å; V905-L909 HydrophobicContact CG1-CD1 4.16Å; V905-L909 HydrophobicContact CG1-CG 4.48Å; V905-L909 VanDerWaalsContact O-CG 3.31Å; V905-L909 WeakPolarHBondContact O-CG 3.38Å; V905-L909 PolarHBondContact O-N 3.12Å; N906-L909 PolarHBondContact O-N 3.04Å; F907-L909 VanDerWaalsContact C-N 3.35Å; F907-L909 PolarHBondContact O-N 3.03Å; L909-L911 PolarHBondContact O-N 3.44Å; L909-S912 WeakPolarHBondContact O-CA 3.13Å; L909-S912 VanDerWaalsContact O-CB 3.27Å; L909-S912 WeakPolarHBondContact O-CB 3.41Å; L909-S912 PolarHBondContact O-N 3.22Å; L909-V913 WeakPolarHBondContact O-CG2 3.45Å; L909-V913 PolarHBondContact O-N 3.4Å; L909-Q1654 HydrophobicContact CD2-CB 4.38Å; L909-Q1654 HydrophobicContact CD2-CG 4.05Å |
| 910 | L | 95.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -59.5 | -39.1 | 177.3 | -76.4 | 162.8 | 0 | 0 | 0 | 113.4 | I849 L894 T897 L898 T901 N906 F907 S912 V913 A914 | I849-L910 HydrophobicContact CD1-CD1 3.97Å; I849-L910 HydrophobicContact CD1-CD2 4.3Å; I849-L910 HydrophobicContact CD1-CG 3.88Å; I849-L910 HydrophobicContact CG1-CD2 3.96Å; I849-L910 HydrophobicContact CG1-CG 4.06Å; I849-L910 HydrophobicContact CG2-CD2 4.3Å; I849-L910 HydrophobicContact CG2-CG 4.2Å; L894-L910 HydrophobicContact CD2-CD2 3.69Å; T897-L910 HydrophobicContact CG2-CD1 3.65Å; T897-L910 HydrophobicContact CG2-CD2 4.17Å; L898-L910 HydrophobicContact CD2-CB 3.63Å; L898-L910 HydrophobicContact CG-CB 4.18Å; T901-L910 HydrophobicContact CG2-CD1 4.26Å; T901-L910 WeakPolarHBondContact OG1-CD1 3.25Å; N906-L910 WeakPolarHBondContact O-CB 3.26Å; N906-L910 WeakPolarHBondContact O-CD1 3.44Å; N906-L910 VanDerWaalsContact O-CG 3.28Å; N906-L910 WeakPolarHBondContact O-CG 3.47Å; N906-L910 PolarHBondContact O-N 3.43Å; F907-L910 PolarHBondContact O-N 2.74Å; L910-S912 VanDerWaalsContact C-N 3.26Å; L910-S912 PolarHBondContact O-N 2.84Å; L910-V913 WeakPolarHBondContact O-CB 3.24Å; L910-V913 PolarHBondContact O-N 2.78Å; L910-A914 WeakPolarHBondContact O-CB 3.48Å; L910-A914 PolarHBondContact O-N 3.36Å |
| 911 | L | 95.6 | Very high | 93 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -60 | -38.8 | 173.9 | -68.6 | 175.5 | 0 | 0 | 0 | 112.1 | L898 F907 L909 A914 L915 L952 Y969 L970 I973 | L898-L911 HydrophobicContact CD2-CD2 3.91Å; L898-L911 HydrophobicContact CD2-CG 4.32Å; F907-L911 HydrophobicContact CD1-CD1 3.88Å; F907-L911 HydrophobicContact CD1-CG 4.18Å; F907-L911 HydrophobicContact CE1-CD1 3.65Å; F907-L911 HydrophobicContact CE1-CD2 4.08Å; F907-L911 HydrophobicContact CE1-CG 3.98Å; F907-L911 HydrophobicContact CZ-CD1 4.47Å; F907-L911 HydrophobicContact CZ-CD2 4.09Å; F907-L911 HydrophobicContact CZ-CG 4.41Å; F907-L911 WeakPolarHBondContact O-CG 3.44Å; F907-L911 PolarHBondContact O-N 3.21Å; L909-L911 PolarHBondContact O-N 3.44Å; L911-A914 PolarHBondContact O-N 3.21Å; L911-L915 PolarHBondContact O-N 2.89Å; L911-L952 HydrophobicContact CD2-CD1 4.04Å; L911-L952 HydrophobicContact CD2-CD2 3.38Å; L911-L952 HydrophobicContact CD2-CG 4.35Å; L911-Y969 HydrophobicContact CB-CD1 4.45Å; L911-Y969 HydrophobicContact CB-CE1 4.25Å; L911-Y969 HydrophobicContact CD1-CD1 3.84Å; L911-Y969 HydrophobicContact CD1-CE1 4.45Å; L911-L970 HydrophobicContact CD1-CB 4.22Å; L911-L970 HydrophobicContact CD1-CD1 3.84Å; L911-L970 HydrophobicContact CD2-CD1 3.63Å; L911-L970 HydrophobicContact CG-CD1 4.41Å; L911-I973 HydrophobicContact CB-CD1 4.38Å; L911-I973 HydrophobicContact CB-CG1 3.97Å; L911-I973 HydrophobicContact CB-CG2 4.31Å; L911-I973 HydrophobicContact CD1-CG1 4.45Å |
| 912 | S | 94.4 | Very high | 92.7 | Very high | 3 Ų | 3 | 17.6 Ų | 17.6 | 2% | 0.021 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -68.7 | -39.8 | 178 | -45.4 | 0 | 0 | 0 | 0 | 111.2 | Q908 L909 L910 A916 Y969 P1652 | Q908-S912 PolarHBondContact O-N 2.99Å; Q908-S912 PolarHBondContact O-OG 3.26Å; L909-S912 WeakPolarHBondContact O-CA 3.13Å; L909-S912 VanDerWaalsContact O-CB 3.27Å; L909-S912 WeakPolarHBondContact O-CB 3.41Å; L909-S912 PolarHBondContact O-N 3.22Å; L910-S912 VanDerWaalsContact C-N 3.26Å; L910-S912 PolarHBondContact O-N 2.84Å; S912-A916 WeakPolarHBondContact O-CB 3.26Å; S912-A916 PolarHBondContact O-N 3.37Å; S912-Y969 PolarHBondContact OG-OH 2.84Å; S912-P1652 WeakPolarHBondContact CB-O 3.5Å; S912-P1652 PolarHBondContact OG-O 3.07Å |
| 913 | V | 94.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -63.4 | -43.6 | 174 | 175.7 | 0 | 0 | 0 | 0 | 111.2 | I849 L852 M853 V856 L894 L909 L910 A916 L917 | I849-V913 HydrophobicContact CG2-CG2 4.33Å; L852-V913 HydrophobicContact CB-CG1 4.3Å; M853-V913 HydrophobicContact CB-CG2 3.63Å; M853-V913 HydrophobicContact CE-CG2 3.88Å; M853-V913 HydrophobicContact CG-CG2 3.98Å; V856-V913 HydrophobicContact CG2-CG1 3.54Å; L894-V913 HydrophobicContact CD1-CG1 3.93Å; L894-V913 HydrophobicContact CD2-CB 4.28Å; L894-V913 HydrophobicContact CD2-CG1 3.54Å; L894-V913 HydrophobicContact CG-CG1 4.4Å; L909-V913 WeakPolarHBondContact O-CG2 3.45Å; L909-V913 PolarHBondContact O-N 3.4Å; L910-V913 WeakPolarHBondContact O-CB 3.24Å; L910-V913 PolarHBondContact O-N 2.78Å; V913-A916 PolarHBondContact O-N 2.77Å; V913-L917 WeakPolarHBondContact O-CB 3.26Å; V913-L917 PolarHBondContact O-N 2.82Å |
| 914 | A | 95.1 | Very high | 91.7 | Very high | 1 Ų | 1 | 10.1 Ų | 10.1 | 1% | 0.008 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -66.1 | -43.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L898 L910 L911 A916 L917 I918 F944 L948 | L898-A914 HydrophobicContact CD1-CB 4.14Å; L910-A914 WeakPolarHBondContact O-CB 3.48Å; L910-A914 PolarHBondContact O-N 3.36Å; L911-A914 PolarHBondContact O-N 3.21Å; A914-A916 VanDerWaalsContact C-N 3.34Å; A914-A916 PolarHBondContact O-N 2.6Å; A914-L917 PolarHBondContact O-N 2.82Å; A914-I918 PolarHBondContact O-N 2.76Å; A914-I918 VanDerWaalsContact O-N 3.08Å; A914-F944 HydrophobicContact CB-CZ 4.49Å; A914-L948 HydrophobicContact CB-CD1 3.99Å; A914-L948 HydrophobicContact CB-CD2 4.13Å |
| 915 | L | 95.1 | Very high | 90.9 | Very high | 1 Ų | 1 | 10.3 Ų | 10.3 | 1% | 0.005 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -64.6 | -38.4 | 175.2 | -175 | 64.9 | 0 | 0 | 0 | 111.9 | L911 L917 I918 E919 I973 L977 V980 P1652 F1667 | L911-L915 PolarHBondContact O-N 2.89Å; L915-L917 VanDerWaalsContact C-N 3.3Å; L915-L917 PolarHBondContact O-N 2.9Å; L915-I918 HydrophobicContact CD1-CG2 4.17Å; L915-I918 WeakPolarHBondContact O-CG2 3.39Å; L915-I918 PolarHBondContact O-N 3.19Å; L915-E919 HydrophobicContact CD1-CG 4.38Å; L915-E919 WeakPolarHBondContact O-CB 3.46Å; L915-E919 PolarHBondContact O-N 2.97Å; L915-I973 HydrophobicContact CB-CD1 4.37Å; L915-I973 HydrophobicContact CB-CG2 4.4Å; L915-I973 HydrophobicContact CD2-CD1 3.95Å; L915-L977 HydrophobicContact CD1-CD2 3.73Å; L915-L977 HydrophobicContact CD1-CG 4.13Å; L915-V980 HydrophobicContact CD1-CG2 4.25Å; L915-P1652 HydrophobicContact CD2-CB 3.68Å; L915-P1652 HydrophobicContact CD2-CG 3.94Å; L915-F1667 HydrophobicContact CB-CZ 4.11Å; L915-F1667 HydrophobicContact CD2-CE2 4.27Å; L915-F1667 HydrophobicContact CD2-CZ 4.15Å; L915-F1667 HydrophobicContact CG-CE2 4.08Å; L915-F1667 HydrophobicContact CG-CZ 4Å |
| 916 | A | 93.5 | Very high | 89.9 | Confident | 6 Ų | 6 | 11.4 Ų | 11.4 | 5% | 0.05 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -65.2 | -38.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | V856 S912 V913 A914 D920 L1659 F1667 | V856-A916 HydrophobicContact CG1-CB 3.86Å; S912-A916 WeakPolarHBondContact O-CB 3.26Å; S912-A916 PolarHBondContact O-N 3.37Å; V913-A916 PolarHBondContact O-N 2.77Å; A914-A916 VanDerWaalsContact C-N 3.34Å; A914-A916 PolarHBondContact O-N 2.6Å; A916-D920 WeakPolarHBondContact O-CB 3.31Å; A916-D920 PolarHBondContact O-N 3.06Å; A916-L1659 HydrophobicContact CB-CD2 4.17Å; A916-F1667 VanDerWaalsContact CA-CZ 3.47Å; A916-F1667 HydrophobicContact CB-CE1 4.11Å; A916-F1667 HydrophobicContact CB-CE2 4.26Å; A916-F1667 HydrophobicContact CB-CZ 3.59Å |
| 917 | L | 92 | Very high | 88.6 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -68.8 | -43.9 | -180 | -177.3 | 59.9 | 0 | 0 | 0 | 111.3 | V856 K887 M890 V891 L894 V913 A914 L915 D920 M921 F944 | V856-L917 HydrophobicContact CG1-CB 3.66Å; V856-L917 HydrophobicContact CG1-CD1 4.04Å; V856-L917 HydrophobicContact CG1-CG 4.45Å; V856-L917 VanDerWaalsContact CG1-N 3.27Å; V856-L917 HydrophobicContact CG2-CB 4.49Å; K887-L917 HydrophobicContact CB-CD1 4.4Å; K887-L917 HydrophobicContact CD-CD1 4.31Å; K887-L917 HydrophobicContact CG-CD1 4.25Å; M890-L917 HydrophobicContact CB-CD2 4.16Å; V891-L917 HydrophobicContact CG2-CD2 3.76Å; L894-L917 HydrophobicContact CD1-CD2 3.59Å; V913-L917 WeakPolarHBondContact O-CB 3.26Å; V913-L917 PolarHBondContact O-N 2.82Å; A914-L917 PolarHBondContact O-N 2.82Å; L915-L917 VanDerWaalsContact C-N 3.3Å; L915-L917 PolarHBondContact O-N 2.9Å; L917-D920 PolarHBondContact O-N 3.27Å; L917-M921 HydrophobicContact CD1-CG 4.24Å; L917-M921 HydrophobicContact CD1-SD 4Å; L917-M921 HydrophobicContact CG-SD 3.92Å; L917-M921 WeakPolarHBondContact O-CB 3.42Å; L917-M921 WeakPolarHBondContact O-CG 3.42Å; L917-M921 PolarHBondContact O-N 2.89Å; L917-F944 HydrophobicContact CB-CE1 4.05Å; L917-F944 HydrophobicContact CD2-CE1 3.89Å; L917-F944 HydrophobicContact CD2-CZ 4.18Å; L917-F944 HydrophobicContact CG-CE1 3.88Å |
| 918 | I | 92.2 | Very high | 86.8 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -74 | -36.3 | -177.6 | -157 | 167.4 | 0 | 0 | 0 | 113 | A914 L915 S922 T941 F944 F945 L948 L977 V980 | A914-I918 PolarHBondContact O-N 2.76Å; A914-I918 VanDerWaalsContact O-N 3.08Å; L915-I918 HydrophobicContact CD1-CG2 4.17Å; L915-I918 WeakPolarHBondContact O-CG2 3.39Å; L915-I918 PolarHBondContact O-N 3.19Å; I918-S922 VanDerWaalsContact O-CB 3.26Å; I918-S922 WeakPolarHBondContact O-CB 3.32Å; I918-S922 PolarHBondContact O-N 3.14Å; I918-T941 HydrophobicContact CG1-CG2 3.8Å; I918-F944 HydrophobicContact CB-CD1 3.79Å; I918-F944 HydrophobicContact CB-CE1 3.7Å; I918-F944 HydrophobicContact CD1-CD1 3.93Å; I918-F944 HydrophobicContact CD1-CE1 4.39Å; I918-F944 HydrophobicContact CD1-CG 4.25Å; I918-F944 HydrophobicContact CG1-CD1 3.77Å; I918-F944 HydrophobicContact CG1-CE1 4.2Å; I918-F945 HydrophobicContact CD1-CB 3.78Å; I918-F945 HydrophobicContact CD1-CD2 3.78Å; I918-F945 HydrophobicContact CD1-CG 4.26Å; I918-L948 HydrophobicContact CD1-CD2 4.13Å; I918-L977 HydrophobicContact CD1-CD2 4.4Å; I918-L977 HydrophobicContact CG2-CD2 3.73Å; I918-V980 HydrophobicContact CG2-CG2 4.42Å |
| 919 | E | 91.2 | Very high | 84.8 | Confident | 17 Ų | 17 | 24.8 Ų | 24.8 | 8% | 0.079 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.6 | -42 | 169.7 | -80.3 | -164 | 174.3 | 0 | 0 | 111.1 | L915 S922 A923 V980 S1666 F1667 Q1670 | L915-E919 HydrophobicContact CD1-CG 4.38Å; L915-E919 WeakPolarHBondContact O-CB 3.46Å; L915-E919 PolarHBondContact O-N 2.97Å; E919-S922 PolarHBondContact O-N 2.81Å; E919-A923 VanDerWaalsContact O-CB 3.26Å; E919-A923 WeakPolarHBondContact O-CB 3.4Å; E919-A923 PolarHBondContact O-N 2.89Å; E919-V980 HydrophobicContact CG-CG2 3.95Å; E919-S1666 WeakPolarHBondContact OE1-CB 3.38Å; E919-S1666 PolarHBondContact OE1-OG 3.48Å; E919-S1666 VanDerWaalsContact OE2-CB 3.3Å; E919-S1666 WeakPolarHBondContact OE2-CB 3.43Å; E919-F1667 VanDerWaalsContact OE2-CD2 3.3Å; E919-F1667 WeakPolarHBondContact OE2-CD2 3.46Å; E919-F1667 WeakPolarHBondContact OE2-CE2 3.2Å; E919-Q1670 PolarHBondContact OE1-NE2 2.98Å |
| 920 | D | 88.9 | Confident | 82.6 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68.1 | -37.6 | -179 | -169.6 | 73.5 | 0 | 0 | 0 | 112.4 | K887 A916 L917 D924 S1660 R1662 C1663 | K887-D920 IonicContact NZ-OD2 3.62Å; K887-D920 PolarHBondContact NZ-OD2 2.96Å; A916-D920 WeakPolarHBondContact O-CB 3.31Å; A916-D920 PolarHBondContact O-N 3.06Å; L917-D920 PolarHBondContact O-N 3.27Å; D920-D924 PolarHBondContact O-N 3.07Å; D920-S1660 VanDerWaalsContact OD1-CB 3.31Å; D920-S1660 WeakPolarHBondContact OD1-CB 3.28Å; D920-S1660 PolarHBondContact OD1-OG 2.68Å; D920-R1662 VanDerWaalsContact O-CZ 3.26Å; D920-R1662 PolarHBondContact O-NE 3.48Å; D920-R1662 PolarHBondContact O-NH2 3.22Å; D920-R1662 VanDerWaalsContact O-NH2 3.1Å; D920-R1662 IonicContact OD1-CZ 3.47Å; D920-R1662 IonicContact OD1-NE 2.82Å; D920-R1662 PolarHBondContact OD1-NE 3.07Å; D920-R1662 IonicContact OD1-NH2 2.81Å; D920-R1662 PolarHBondContact OD1-NH2 2.78Å; D920-R1662 VanDerWaalsContact OD1-NH2 3.1Å; D920-R1662 IonicContact OD2-CZ 3.65Å; D920-R1662 IonicContact OD2-NE 2.81Å; D920-R1662 IonicContact OD2-NH2 3.79Å; D920-R1662 PolarHBondContact OD2-NH2 2.79Å; D920-C1663 VanDerWaalsContact CA-SG 3.51Å; D920-C1663 PolarHBondContact N-SG 3.38Å; D920-C1663 VanDerWaalsContact N-SG 3.4Å |
| 921 | M | 86 | Confident | 79.9 | Confident | 20 Ų | 20 | 35.1 Ų | 35.1 | 10% | 0.099 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.5 | -45.3 | 173.8 | -68.4 | 173.7 | 69.7 | 0 | 0 | 111.9 | V891 L917 A923 D924 E925 T941 F944 | V891-M921 HydrophobicContact CG2-SD 4.18Å; L917-M921 HydrophobicContact CD1-CG 4.24Å; L917-M921 HydrophobicContact CD1-SD 4Å; L917-M921 HydrophobicContact CG-SD 3.92Å; L917-M921 WeakPolarHBondContact O-CB 3.42Å; L917-M921 WeakPolarHBondContact O-CG 3.42Å; L917-M921 PolarHBondContact O-N 2.89Å; M921-A923 VanDerWaalsContact C-N 3.34Å; M921-A923 PolarHBondContact O-N 2.91Å; M921-D924 WeakPolarHBondContact O-CB 3.5Å; M921-D924 PolarHBondContact O-N 3.22Å; M921-E925 PolarHBondContact O-N 3.1Å; M921-E925 VanDerWaalsContact O-N 3.09Å; M921-T941 HydrophobicContact CB-CG2 4.17Å; M921-T941 VanDerWaalsContact CB-OG1 3.31Å; M921-T941 WeakPolarHBondContact CB-OG1 3.47Å; M921-F944 HydrophobicContact SD-CD1 4.13Å |
| 922 | S | 87.6 | Confident | 77.3 | Confident | 10 Ų | 10 | 46.8 Ų | 46.8 | 7% | 0.07 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -56.5 | -45.6 | 174 | 170.3 | 0 | 0 | 0 | 0 | 112.1 | I918 E919 D924 E925 T926 N981 | I918-S922 VanDerWaalsContact O-CB 3.26Å; I918-S922 WeakPolarHBondContact O-CB 3.32Å; I918-S922 PolarHBondContact O-N 3.14Å; E919-S922 PolarHBondContact O-N 2.81Å; S922-D924 PolarHBondContact O-N 3.18Å; S922-E925 PolarHBondContact O-N 3.5Å; S922-T926 WeakPolarHBondContact O-CG2 3.35Å; S922-T926 PolarHBondContact O-N 3.41Å; S922-T926 PolarHBondContact O-OG1 3.33Å; S922-N981 PolarHBondContact OG-O 2.94Å |
| 923 | A | 83.7 | Confident | 74.7 | Confident | 19 Ų | 19 | 54.5 Ų | 54.5 | 16% | 0.157 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -71 | -15.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | E919 M921 T926 Q927 R1662 | E919-A923 VanDerWaalsContact O-CB 3.26Å; E919-A923 WeakPolarHBondContact O-CB 3.4Å; E919-A923 PolarHBondContact O-N 2.89Å; M921-A923 VanDerWaalsContact C-N 3.34Å; M921-A923 PolarHBondContact O-N 2.91Å; A923-T926 PolarHBondContact O-OG1 3.05Å; A923-Q927 WeakPolarHBondContact O-CG 3.46Å; A923-R1662 HydrophobicContact CB-CB 3.93Å; A923-R1662 HydrophobicContact CB-CG 3.74Å |
| 924 | D | 78.6 | Confident | 72.3 | Confident | 27 Ų | 27 | 60.2 Ų | 60.2 | 14% | 0.144 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -84.4 | -39.2 | 173.3 | -156.3 | 75.2 | 0 | 0 | 0 | 112.9 | K863 D920 M921 S922 R1662 | K863-D924 WeakPolarHBondContact CE-OD2 3.4Å; K863-D924 IonicContact NZ-OD1 2.7Å; K863-D924 IonicContact NZ-OD2 2.85Å; K863-D924 PolarHBondContact NZ-OD2 2.89Å; D920-D924 PolarHBondContact O-N 3.07Å; M921-D924 WeakPolarHBondContact O-CB 3.5Å; M921-D924 PolarHBondContact O-N 3.22Å; S922-D924 PolarHBondContact O-N 3.18Å; D924-R1662 VanDerWaalsContact CA-NH1 3.32Å; D924-R1662 IonicContact OD1-CZ 3.69Å; D924-R1662 IonicContact OD1-NH1 2.76Å; D924-R1662 PolarHBondContact OD1-NH1 3.39Å; D924-R1662 IonicContact OD1-NH2 3.95Å; D924-R1662 PolarHBondContact OD1-NH2 3.28Å |
| 925 | E | 77.6 | Confident | 69.9 | Low | 48 Ų | 48 | 66.6 Ų | 66.6 | 22% | 0.224 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.3 | -49.7 | 176.7 | -74.9 | 177.7 | -171.3 | 0 | 0 | 111 | M921 S922 Q927 S928 T941 | M921-E925 PolarHBondContact O-N 3.1Å; M921-E925 VanDerWaalsContact O-N 3.09Å; S922-E925 PolarHBondContact O-N 3.5Å; E925-Q927 VanDerWaalsContact C-N 3.31Å; E925-Q927 PolarHBondContact O-N 3.14Å; E925-S928 PolarHBondContact O-N 3.39Å; E925-S928 PolarHBondContact O-OG 3.05Å; E925-T941 VanDerWaalsContact OE1-CB 3.26Å; E925-T941 WeakPolarHBondContact OE1-CB 3.26Å; E925-T941 PolarHBondContact OE1-N 2.72Å; E925-T941 PolarHBondContact OE1-OG1 3.17Å; E925-T941 PolarHBondContact OE2-OG1 2.96Å |
| 926 | T | 71.2 | Confident | 67.5 | Low | 72 Ų | 72 | 69.9 Ų | 69.9 | 44% | 0.442 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -55.9 | -40.6 | -177.9 | 48.8 | 0 | 0 | 0 | 0 | 113.3 | S922 A923 S928 S929 | S922-T926 WeakPolarHBondContact O-CG2 3.35Å; S922-T926 PolarHBondContact O-N 3.41Å; S922-T926 PolarHBondContact O-OG1 3.33Å; A923-T926 PolarHBondContact O-OG1 3.05Å; T926-S928 VanDerWaalsContact C-N 3.31Å; T926-S928 PolarHBondContact O-N 3.31Å; T926-S929 PolarHBondContact O-OG 3.43Å |
| 927 | Q | 66.4 | Low | 65.3 | Low | 140 Ų | 140 | 77.5 Ų | 77.5 | 65% | 0.654 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -70.2 | -23.7 | 178 | -68 | -177 | -3.1 | 0 | 0 | 113.8 | A923 E925 | A923-Q927 WeakPolarHBondContact O-CG 3.46Å; E925-Q927 VanDerWaalsContact C-N 3.31Å; E925-Q927 PolarHBondContact O-N 3.14Å |
| 928 | S | 57.9 | Low | 63.1 | Low | 62 Ų | 62 | 81.5 Ų | 81.5 | 43% | 0.434 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -85 | -9.1 | -175.9 | 69.6 | 0 | 0 | 0 | 0 | 114.9 | E925 T926 N930 G931 | E925-S928 PolarHBondContact O-N 3.39Å; E925-S928 PolarHBondContact O-OG 3.05Å; T926-S928 VanDerWaalsContact C-N 3.31Å; T926-S928 PolarHBondContact O-N 3.31Å; S928-N930 PolarHBondContact O-N 3.36Å; S928-G931 PolarHBondContact O-N 3.16Å; S928-G931 VanDerWaalsContact O-N 3.16Å |
| 929 | S | 51.3 | Low | 61.2 | Low | 93 Ų | 93 | 86.9 Ų | 86.9 | 65% | 0.65 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -5.5 | -170.4 | 57.6 | 0 | 0 | 0 | 0 | 116.7 | T926 | T926-S929 PolarHBondContact O-OG 3.43Š|
| 930 | N | 46.1 | Very low | 60.3 | Low | 169 Ų | 169 | 88.8 Ų | 88.8 | 90% | 0.904 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | 0.1 | 172.7 | -79.9 | -19 | 0 | 0 | 0 | 114.1 | S928 | S928-N930 PolarHBondContact O-N 3.36Š|
| 931 | G | 39.6 | Very low | 60.1 | Low | 49 Ų | 49 | 88.8 Ų | 88.8 | 51% | 0.505 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -107.2 | 142.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S928 N933 | S928-G931 PolarHBondContact O-N 3.16Å; S928-G931 VanDerWaalsContact O-N 3.16Å; G931-N933 PolarHBondContact O-N 3.17Å |
| 932 | R | 40 | Very low | 60.1 | Low | 246 Ų | 246 | 88.2 Ų | 88.2 | 93% | 0.928 | 50% | 0.498 | S | S | * | . | trans | -41.4 | 132 | -178 | -81.8 | 175.9 | 166.2 | 154.8 | -5.1 | 114 | D934 | R932-D934 PolarHBondContact O-N 2.73Å; R932-D934 VanDerWaalsContact O-N 3.13Å | ||
| 933 | N | 39.6 | Very low | 60.1 | Low | 165 Ų | 165 | 90 Ų | 90 | 88% | 0.882 | 51% | 0.511 | S | S | * | . | trans | -53.2 | 111.7 | 173.1 | -66.3 | -24.6 | 0 | 0 | 0 | 111.7 | G931 | G931-N933 PolarHBondContact O-N 3.17Š| ||
| 934 | D | 45.8 | Very low | 60.5 | Low | 119 Ų | 119 | 89.3 Ų | 89.3 | 64% | 0.636 | 51% | 0.505 | S | S | * | . | trans | -111.6 | 99.1 | 175.4 | -153.9 | 9.2 | 0 | 0 | 0 | 107.5 | R932 G936 | R932-D934 PolarHBondContact O-N 2.73Å; R932-D934 VanDerWaalsContact O-N 3.13Å; D934-G936 PolarHBondContact O-N 2.95Å | ||
| 935 | P | 44 | Very low | 61.1 | Low | 136 Ų | 136 | 88 Ų | 88 | 88% | 0.883 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | 12.1 | -162.2 | 30.6 | -36.7 | 0 | 0 | 0 | 114.9 | ||
| 936 | G | 44.2 | Very low | 61.8 | Low | 69 Ų | 69 | 87.9 Ų | 87.9 | 71% | 0.711 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.2 | 0.9 | -169.4 | 0 | 0 | 0 | 0 | 0 | 117 | D934 S938 | D934-G936 PolarHBondContact O-N 2.95Å; G936-S938 PolarHBondContact O-N 3.43Å |
| 937 | K | 48 | Very low | 62.8 | Low | 166 Ų | 166 | 88.4 Ų | 88.4 | 72% | 0.722 | 50% | 0.497 | S | S | * | . | trans | -92.8 | 100.6 | -175.7 | -73.1 | 177 | -177.8 | 164.4 | 0 | 112.1 | ||||
| 938 | S | 44.4 | Very low | 64.1 | Low | 84 Ų | 84 | 81.8 Ų | 81.8 | 59% | 0.587 | 47% | 0.467 | S | S | * | . | trans | -67.9 | 159.1 | 173.2 | 59.5 | 0 | 0 | 0 | 0 | 112.4 | G936 | G936-S938 PolarHBondContact O-N 3.43Š| ||
| 939 | H | 53.1 | Low | 65.9 | Low | 113 Ų | 113 | 78.8 Ų | 78.8 | 52% | 0.523 | 45% | 0.446 | S | S | . | . | trans | 72.7 | 48.2 | 178.2 | -39.7 | -66.1 | 0 | 0 | 0 | 115.2 | ||||
| 940 | T | 71.7 | Confident | 67.9 | Low | 58 Ų | 58 | 76.1 Ų | 76.1 | 36% | 0.356 | 43% | 0.426 | S | S | . | . | trans | -57.7 | 152.3 | 165.2 | 53.2 | 0 | 0 | 0 | 0 | 112.6 | S942 S943 | T940-S942 PolarHBondContact O-N 3.49Å; T940-S942 VanDerWaalsContact O-N 3.08Å; T940-S943 VanDerWaalsContact O-CB 3.28Å; T940-S943 WeakPolarHBondContact O-CB 3.35Å; T940-S943 PolarHBondContact O-N 3.18Å | ||
| 941 | T | 85.6 | Confident | 70.3 | Confident | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -49.6 | -34.4 | 171.6 | -55.1 | 0 | 0 | 0 | 0 | 112.4 | I918 M921 E925 S943 F944 F945 | I918-T941 HydrophobicContact CG1-CG2 3.8Å; M921-T941 HydrophobicContact CB-CG2 4.17Å; M921-T941 VanDerWaalsContact CB-OG1 3.31Å; M921-T941 WeakPolarHBondContact CB-OG1 3.47Å; E925-T941 VanDerWaalsContact OE1-CB 3.26Å; E925-T941 WeakPolarHBondContact OE1-CB 3.26Å; E925-T941 PolarHBondContact OE1-N 2.72Å; E925-T941 PolarHBondContact OE1-OG1 3.17Å; E925-T941 PolarHBondContact OE2-OG1 2.96Å; T941-S943 VanDerWaalsContact C-N 3.33Å; T941-S943 PolarHBondContact O-N 3.49Å; T941-F944 PolarHBondContact O-N 2.81Å; T941-F945 PolarHBondContact O-N 3.48Å |
| 942 | S | 86.9 | Confident | 73 | Confident | 7 Ų | 7 | 67.5 Ų | 67.5 | 5% | 0.049 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -56.3 | -40.7 | 172.5 | -173.7 | 0 | 0 | 0 | 0 | 113.6 | T940 F944 F945 N946 V982 P984 | T940-S942 PolarHBondContact O-N 3.49Å; T940-S942 VanDerWaalsContact O-N 3.08Å; S942-F944 PolarHBondContact O-N 3.36Å; S942-F945 PolarHBondContact O-N 2.88Å; S942-N946 WeakPolarHBondContact O-CB 3.29Å; S942-N946 PolarHBondContact O-N 3.18Å; S942-N946 PolarHBondContact O-ND2 3.36Å; S942-N946 PolarHBondContact O-OD1 2.89Å; S942-V982 VanDerWaalsContact CA-CG1 3.4Å; S942-P984 WeakPolarHBondContact CB-O 3.14Å; S942-P984 PolarHBondContact OG-O 2.99Å |
| 943 | S | 87.1 | Confident | 75.7 | Confident | 49 Ų | 49 | 55.8 Ų | 55.8 | 34% | 0.343 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.4 | -42.5 | 176.2 | -170.7 | 0 | 0 | 0 | 0 | 111.6 | T940 T941 N946 I947 | T940-S943 VanDerWaalsContact O-CB 3.28Å; T940-S943 WeakPolarHBondContact O-CB 3.35Å; T940-S943 PolarHBondContact O-N 3.18Å; T941-S943 VanDerWaalsContact C-N 3.33Å; T941-S943 PolarHBondContact O-N 3.49Å; S943-N946 PolarHBondContact O-N 2.82Å; S943-I947 WeakPolarHBondContact O-CG1 3.44Å; S943-I947 PolarHBondContact O-N 3.32Å |
| 944 | F | 90.8 | Very high | 78.3 | Confident | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.018 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.8 | -42.5 | 175.6 | -177.6 | -152.2 | 0 | 0 | 0 | 111.6 | V891 A914 L917 I918 M921 T941 S942 N946 I947 L948 | V891-F944 HydrophobicContact CB-CD2 4.21Å; V891-F944 HydrophobicContact CB-CE2 4.38Å; V891-F944 HydrophobicContact CB-CG 4.44Å; V891-F944 HydrophobicContact CG1-CB 4.22Å; V891-F944 HydrophobicContact CG1-CD2 3.39Å; V891-F944 HydrophobicContact CG1-CE2 3.84Å; V891-F944 HydrophobicContact CG1-CG 3.86Å; V891-F944 HydrophobicContact CG2-CB 4.26Å; V891-F944 HydrophobicContact CG2-CD1 3.76Å; V891-F944 HydrophobicContact CG2-CD2 3.95Å; V891-F944 HydrophobicContact CG2-CE1 4.01Å; V891-F944 HydrophobicContact CG2-CE2 4.18Å; V891-F944 HydrophobicContact CG2-CG 3.74Å; V891-F944 HydrophobicContact CG2-CZ 4.22Å; A914-F944 HydrophobicContact CB-CZ 4.49Å; L917-F944 HydrophobicContact CB-CE1 4.05Å; L917-F944 HydrophobicContact CD2-CE1 3.89Å; L917-F944 HydrophobicContact CD2-CZ 4.18Å; L917-F944 HydrophobicContact CG-CE1 3.88Å; I918-F944 HydrophobicContact CB-CD1 3.79Å; I918-F944 HydrophobicContact CB-CE1 3.7Å; I918-F944 HydrophobicContact CD1-CD1 3.93Å; I918-F944 HydrophobicContact CD1-CE1 4.39Å; I918-F944 HydrophobicContact CD1-CG 4.25Å; I918-F944 HydrophobicContact CG1-CD1 3.77Å; I918-F944 HydrophobicContact CG1-CE1 4.2Å; M921-F944 HydrophobicContact SD-CD1 4.13Å; T941-F944 PolarHBondContact O-N 2.81Å; S942-F944 PolarHBondContact O-N 3.36Å; F944-N946 VanDerWaalsContact C-N 3.34Å; F944-N946 PolarHBondContact O-N 3.38Å; F944-I947 PolarHBondContact O-N 3.22Å; F944-L948 HydrophobicContact CD2-CB 4.08Å; F944-L948 HydrophobicContact CE1-CD2 4.44Å; F944-L948 HydrophobicContact CE2-CB 3.93Å; F944-L948 HydrophobicContact CE2-CD1 4.33Å; F944-L948 HydrophobicContact CE2-CD2 4.08Å; F944-L948 HydrophobicContact CE2-CG 4.34Å; F944-L948 HydrophobicContact CZ-CD2 3.94Å; F944-L948 WeakPolarHBondContact O-CB 3.47Å; F944-L948 PolarHBondContact O-N 3.38Å |
| 945 | F | 92.8 | Very high | 80.7 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.9 | -44.7 | 176.6 | -169.5 | -94.8 | 0 | 0 | 0 | 112.7 | I918 T941 S942 I947 L948 T949 L977 V982 T989 Y990 W1030 | I918-F945 HydrophobicContact CD1-CB 3.78Å; I918-F945 HydrophobicContact CD1-CD2 3.78Å; I918-F945 HydrophobicContact CD1-CG 4.26Å; T941-F945 PolarHBondContact O-N 3.48Å; S942-F945 PolarHBondContact O-N 2.88Å; F945-I947 VanDerWaalsContact C-N 3.28Å; F945-I947 PolarHBondContact O-N 3.34Å; F945-L948 PolarHBondContact O-N 3.05Å; F945-T949 WeakPolarHBondContact O-CB 3.27Å; F945-T949 PolarHBondContact O-N 3.04Å; F945-T949 PolarHBondContact O-OG1 2.8Å; F945-L977 HydrophobicContact CE2-CB 4.4Å; F945-V982 HydrophobicContact CB-CG1 4.2Å; F945-V982 HydrophobicContact CB-CG2 4.1Å; F945-V982 HydrophobicContact CD2-CG2 3.64Å; F945-V982 HydrophobicContact CE2-CG2 4.12Å; F945-V982 HydrophobicContact CG-CG1 4.42Å; F945-V982 HydrophobicContact CG-CG2 3.87Å; F945-T989 HydrophobicContact CD1-CG2 3.99Å; F945-T989 HydrophobicContact CE1-CG2 3.94Å; F945-Y990 HydrophobicContact CE1-CE1 4.15Å; F945-Y990 AromaticContact CE1-CE2 3.9Å; F945-Y990 HydrophobicContact CE1-CE2 3.9Å; F945-Y990 AromaticContact CE1-CZ 3.61Å; F945-Y990 HydrophobicContact CZ-CE1 4.07Å; F945-Y990 AromaticContact CZ-CZ 3.86Å; F945-W1030 HydrophobicContact CE1-CH2 4.37Å; F945-W1030 AromaticContact CZ-CH2 3.71Å; F945-W1030 HydrophobicContact CZ-CH2 3.71Å; F945-W1030 HydrophobicContact CZ-CZ3 4.29Å |
| 946 | N | 91.5 | Very high | 83.2 | Confident | 44 Ų | 44 | 37.5 Ų | 37.5 | 24% | 0.235 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -73.7 | -18.6 | -177.1 | -60.9 | -15.2 | 0 | 0 | 0 | 112.8 | S942 S943 F944 P950 T989 | S942-N946 WeakPolarHBondContact O-CB 3.29Å; S942-N946 PolarHBondContact O-N 3.18Å; S942-N946 PolarHBondContact O-ND2 3.36Å; S942-N946 PolarHBondContact O-OD1 2.89Å; S943-N946 PolarHBondContact O-N 2.82Å; F944-N946 VanDerWaalsContact C-N 3.34Å; F944-N946 PolarHBondContact O-N 3.38Å; N946-P950 WeakPolarHBondContact O-CD 3.44Å; N946-P950 VanDerWaalsContact O-CG 3.29Å; N946-P950 WeakPolarHBondContact O-CG 3.5Å; N946-T989 PolarHBondContact OD1-OG1 2.9Å |
| 947 | I | 91.8 | Very high | 85.6 | Confident | 83 Ų | 83 | 34.4 Ų | 34.4 | 43% | 0.426 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -88.7 | -47.7 | 170.7 | -64 | 166.4 | 0 | 0 | 0 | 110.6 | C895 S943 F944 F945 L951 | C895-I947 HydrophobicContact CB-CG2 4.39Å; S943-I947 WeakPolarHBondContact O-CG1 3.44Å; S943-I947 PolarHBondContact O-N 3.32Å; F944-I947 PolarHBondContact O-N 3.22Å; F945-I947 VanDerWaalsContact C-N 3.28Å; F945-I947 PolarHBondContact O-N 3.34Å; I947-L951 WeakPolarHBondContact O-CB 3.31Å; I947-L951 PolarHBondContact O-N 2.84Å |
| 948 | L | 94.7 | Very high | 87.8 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.6 | -47.8 | -174.6 | -179.6 | 63.4 | 0 | 0 | 0 | 112 | L898 A914 I918 F944 F945 L951 L952 L977 | L898-L948 HydrophobicContact CD1-CD1 3.95Å; A914-L948 HydrophobicContact CB-CD1 3.99Å; A914-L948 HydrophobicContact CB-CD2 4.13Å; I918-L948 HydrophobicContact CD1-CD2 4.13Å; F944-L948 HydrophobicContact CD2-CB 4.08Å; F944-L948 HydrophobicContact CE1-CD2 4.44Å; F944-L948 HydrophobicContact CE2-CB 3.93Å; F944-L948 HydrophobicContact CE2-CD1 4.33Å; F944-L948 HydrophobicContact CE2-CD2 4.08Å; F944-L948 HydrophobicContact CE2-CG 4.34Å; F944-L948 HydrophobicContact CZ-CD2 3.94Å; F944-L948 WeakPolarHBondContact O-CB 3.47Å; F944-L948 PolarHBondContact O-N 3.38Å; F945-L948 PolarHBondContact O-N 3.05Å; L948-L951 WeakPolarHBondContact O-CB 3.35Å; L948-L951 PolarHBondContact O-N 2.94Å; L948-L952 HydrophobicContact CD1-CD1 4.23Å; L948-L952 HydrophobicContact CD1-CD2 4Å; L948-L952 HydrophobicContact CD1-CG 3.92Å; L948-L952 HydrophobicContact CG-CD1 4.28Å; L948-L952 HydrophobicContact CG-CG 4.19Å; L948-L952 WeakPolarHBondContact O-CG 3.21Å; L948-L952 PolarHBondContact O-N 2.92Å; L948-L977 HydrophobicContact CD2-CD1 4.46Å; L948-L977 HydrophobicContact CD2-CD2 4.19Å |
| 949 | T | 94.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66 | -46.1 | -170.2 | -44.8 | 0 | 0 | 0 | 0 | 112.6 | F945 L951 L952 C953 L977 T993 W1030 | F945-T949 WeakPolarHBondContact O-CB 3.27Å; F945-T949 PolarHBondContact O-N 3.04Å; F945-T949 PolarHBondContact O-OG1 2.8Å; T949-L951 PolarHBondContact O-N 3.44Å; T949-L952 PolarHBondContact O-N 3.46Å; T949-C953 WeakPolarHBondContact O-CB 3.49Å; T949-C953 PolarHBondContact O-N 3.17Å; T949-C953 PolarHBondContact O-SG 3.19Å; T949-L977 HydrophobicContact CG2-CD1 4.4Å; T949-T993 HydrophobicContact CG2-CG2 3.82Å; T949-T993 WeakPolarHBondContact CG2-OG1 3.48Å; T949-W1030 HydrophobicContact CG2-CH2 3.74Å; T949-W1030 HydrophobicContact CG2-CZ2 4.09Å |
| 950 | P | 94.2 | Very high | 92.1 | Very high | 36 Ų | 36 | 28.4 Ų | 28.4 | 23% | 0.234 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.7 | -37.7 | 172.3 | -24.7 | 37.7 | 0 | 0 | 0 | 113.2 | N946 C953 G954 T989 | N946-P950 WeakPolarHBondContact O-CD 3.44Å; N946-P950 VanDerWaalsContact O-CG 3.29Å; N946-P950 WeakPolarHBondContact O-CG 3.5Å; P950-C953 PolarHBondContact O-N 3.38Å; P950-G954 PolarHBondContact O-N 3.02Å; P950-T989 HydrophobicContact CG-CG2 4.44Å |
| 951 | L | 95.9 | Very high | 92.9 | Very high | 36 Ų | 36 | 29.9 Ų | 29.9 | 19% | 0.188 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.2 | -45.1 | 175.7 | 173.6 | 61.8 | 0 | 0 | 0 | 111.9 | C895 L898 S899 I947 L948 T949 G954 N955 | C895-L951 HydrophobicContact CB-CD2 4.11Å; L898-L951 HydrophobicContact CB-CD2 4.13Å; S899-L951 WeakPolarHBondContact OG-CD1 3.22Å; I947-L951 WeakPolarHBondContact O-CB 3.31Å; I947-L951 PolarHBondContact O-N 2.84Å; L948-L951 WeakPolarHBondContact O-CB 3.35Å; L948-L951 PolarHBondContact O-N 2.94Å; T949-L951 PolarHBondContact O-N 3.44Å; L951-G954 PolarHBondContact O-N 3.22Å; L951-N955 WeakPolarHBondContact O-CB 3.38Å; L951-N955 PolarHBondContact O-N 3.48Å; L951-N955 PolarHBondContact O-ND2 3.1Å |
| 952 | L | 96.8 | Very high | 93.1 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.2 | -39.9 | 176.5 | -65.7 | -160.6 | 0 | 0 | 0 | 111.8 | L898 L911 L948 T949 N955 L956 L970 I973 I974 L977 | L898-L952 HydrophobicContact CD1-CD2 4.25Å; L911-L952 HydrophobicContact CD2-CD1 4.04Å; L911-L952 HydrophobicContact CD2-CD2 3.38Å; L911-L952 HydrophobicContact CD2-CG 4.35Å; L948-L952 HydrophobicContact CD1-CD1 4.23Å; L948-L952 HydrophobicContact CD1-CD2 4Å; L948-L952 HydrophobicContact CD1-CG 3.92Å; L948-L952 HydrophobicContact CG-CD1 4.28Å; L948-L952 HydrophobicContact CG-CG 4.19Å; L948-L952 WeakPolarHBondContact O-CG 3.21Å; L948-L952 PolarHBondContact O-N 2.92Å; T949-L952 PolarHBondContact O-N 3.46Å; L952-N955 PolarHBondContact O-N 3.4Å; L952-L956 WeakPolarHBondContact O-CB 3.42Å; L952-L956 PolarHBondContact O-N 3.03Å; L952-L970 HydrophobicContact CB-CD1 3.99Å; L952-L970 HydrophobicContact CD1-CD1 4.23Å; L952-L970 HydrophobicContact CD2-CD1 4.13Å; L952-L970 HydrophobicContact CG-CD1 4.33Å; L952-I973 HydrophobicContact CD1-CG2 3.97Å; L952-I974 HydrophobicContact CB-CD1 4.17Å; L952-I974 HydrophobicContact CB-CG1 4.09Å; L952-I974 HydrophobicContact CD1-CG1 4.34Å; L952-L977 HydrophobicContact CD1-CD1 3.8Å |
| 953 | C | 96.2 | Very high | 93.3 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.007 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.8 | -46.6 | 175.4 | -70.5 | 0 | 0 | 0 | 0 | 112.4 | T949 P950 N955 L956 V957 | T949-C953 WeakPolarHBondContact O-CB 3.49Å; T949-C953 PolarHBondContact O-N 3.17Å; T949-C953 PolarHBondContact O-SG 3.19Å; P950-C953 PolarHBondContact O-N 3.38Å; C953-N955 VanDerWaalsContact C-N 3.32Å; C953-N955 PolarHBondContact O-N 2.89Å; C953-L956 WeakPolarHBondContact O-CB 3.22Å; C953-L956 PolarHBondContact O-N 3.46Å; C953-L956 VanDerWaalsContact O-N 3.14Å; C953-V957 WeakPolarHBondContact O-CG2 3.06Å; C953-V957 PolarHBondContact O-N 3.29Å |
| 954 | G | 95.7 | Very high | 93.6 | Very high | 23 Ų | 23 | 36.9 Ų | 36.9 | 24% | 0.237 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.1 | -40.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | P950 L951 L956 V957 Y958 | P950-G954 PolarHBondContact O-N 3.02Å; L951-G954 PolarHBondContact O-N 3.22Å; G954-L956 VanDerWaalsContact C-N 3.34Å; G954-L956 PolarHBondContact O-N 3.44Å; G954-V957 PolarHBondContact O-N 3.32Å; G954-Y958 WeakPolarHBondContact O-CB 3.37Å; G954-Y958 WeakPolarHBondContact O-CD2 3.45Å; G954-Y958 PolarHBondContact O-N 2.87Å |
| 955 | N | 95.7 | Very high | 93.6 | Very high | 11 Ų | 11 | 39.1 Ų | 39.1 | 6% | 0.059 | 20% | 0.203 | C | C | . | . | I | π-helix | trans | -62.8 | -37.5 | 173.6 | -86.2 | -34.5 | 0 | 0 | 0 | 112.8 | F907 L951 L952 C953 K959 W960 L970 | F907-N955 HydrophobicContact CZ-CB 4.11Å; L951-N955 WeakPolarHBondContact O-CB 3.38Å; L951-N955 PolarHBondContact O-N 3.48Å; L951-N955 PolarHBondContact O-ND2 3.1Å; L952-N955 PolarHBondContact O-N 3.4Å; C953-N955 VanDerWaalsContact C-N 3.32Å; C953-N955 PolarHBondContact O-N 2.89Å; N955-K959 PolarHBondContact O-N 3.25Å; N955-K959 VanDerWaalsContact OD1-CD 3.23Å; N955-K959 WeakPolarHBondContact OD1-CD 3.24Å; N955-W960 PolarHBondContact O-N 3.18Å; N955-L970 HydrophobicContact CB-CD2 4.31Å |
| 956 | L | 95.8 | Very high | 93.6 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | I | π-helix | trans | -67.8 | -46.4 | 176.6 | -179.2 | 66.7 | 0 | 0 | 0 | 112.2 | L952 C953 G954 M967 L970 L971 I974 F1000 | L952-L956 WeakPolarHBondContact O-CB 3.42Å; L952-L956 PolarHBondContact O-N 3.03Å; C953-L956 WeakPolarHBondContact O-CB 3.22Å; C953-L956 PolarHBondContact O-N 3.46Å; C953-L956 VanDerWaalsContact O-N 3.14Å; G954-L956 VanDerWaalsContact C-N 3.34Å; G954-L956 PolarHBondContact O-N 3.44Å; L956-M967 HydrophobicContact CD1-CB 4.41Å; L956-M967 HydrophobicContact CD1-CG 4.24Å; L956-L970 HydrophobicContact CB-CD2 3.61Å; L956-L970 HydrophobicContact CB-CG 4.19Å; L956-L970 HydrophobicContact CD1-CB 4.39Å; L956-L970 HydrophobicContact CD1-CD2 4.01Å; L956-L970 HydrophobicContact CD1-CG 4.24Å; L956-L970 HydrophobicContact CG-CD2 4.41Å; L956-L971 HydrophobicContact CD1-CD2 4.46Å; L956-L971 HydrophobicContact CD1-CG 4.2Å; L956-L971 HydrophobicContact CD2-CD2 3.71Å; L956-L971 HydrophobicContact CD2-CG 4.32Å; L956-I974 HydrophobicContact CD2-CD1 4.06Å; L956-F1000 HydrophobicContact CD1-CD2 4.11Å; L956-F1000 HydrophobicContact CD1-CE1 4.37Å; L956-F1000 HydrophobicContact CD1-CE2 3.67Å; L956-F1000 HydrophobicContact CD1-CZ 3.81Å; L956-F1000 HydrophobicContact CD2-CB 4.41Å; L956-F1000 HydrophobicContact CD2-CD1 4.27Å; L956-F1000 HydrophobicContact CD2-CD2 4.22Å; L956-F1000 HydrophobicContact CD2-CG 4.05Å; L956-F1000 HydrophobicContact CG-CD1 4.48Å; L956-F1000 HydrophobicContact CG-CD2 3.66Å; L956-F1000 HydrophobicContact CG-CE2 3.77Å; L956-F1000 HydrophobicContact CG-CG 4.02Å; L956-F1000 HydrophobicContact CG-CZ 4.25Å |
| 957 | V | 95.4 | Very high | 93.8 | Very high | 5 Ų | 5 | 37 Ų | 37 | 3% | 0.03 | 19% | 0.192 | C | C | . | . | I | π-helix | trans | -75.7 | -44.2 | -174.8 | -176.9 | 0 | 0 | 0 | 0 | 111.8 | C953 G954 E999 F1000 | C953-V957 WeakPolarHBondContact O-CG2 3.06Å; C953-V957 PolarHBondContact O-N 3.29Å; G954-V957 PolarHBondContact O-N 3.32Å; V957-E999 HydrophobicContact CG1-CG 4.25Å; V957-F1000 HydrophobicContact CG2-CB 4.14Å |
| 958 | Y | 94.1 | Very high | 94 | Very high | 135 Ų | 135 | 33.9 Ų | 33.9 | 53% | 0.529 | 18% | 0.176 | S | C | . | . | I | π-helix | trans | -106.2 | -45.3 | -166.8 | -53.8 | -58.8 | 0 | 0 | 0 | 114.2 | G954 E999 | G954-Y958 WeakPolarHBondContact O-CB 3.37Å; G954-Y958 WeakPolarHBondContact O-CD2 3.45Å; G954-Y958 PolarHBondContact O-N 2.87Å; Y958-E999 PolarHBondContact OH-OE1 3.26Å; Y958-E999 PolarHBondContact OH-OE2 2.99Å |
| 959 | K | 93.9 | Very high | 94 | Very high | 77 Ų | 77 | 34 Ų | 34 | 34% | 0.335 | 18% | 0.176 | S | C | . | . | I | π-helix | trans | -83.5 | -63.8 | -173.2 | -171.4 | 176.8 | -177.5 | 177.4 | 0 | 112.5 | S899 S900 T901 N955 K961 | S899-K959 PolarHBondContact O-NZ 3.16Å; S900-K959 PolarHBondContact O-NZ 3.23Å; T901-K959 WeakPolarHBondContact O-CE 3.41Å; T901-K959 PolarHBondContact O-NZ 3.22Å; N955-K959 PolarHBondContact O-N 3.25Å; N955-K959 VanDerWaalsContact OD1-CD 3.23Å; N955-K959 WeakPolarHBondContact OD1-CD 3.24Å; K959-K961 VanDerWaalsContact C-N 3.33Å; K959-K961 PolarHBondContact O-N 3.09Å |
| 960 | W | 93 | Very high | 94.1 | Very high | 24 Ų | 24 | 34 Ų | 34 | 9% | 0.091 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -88 | 7.6 | -169.8 | -72.1 | 109.6 | 0 | 0 | 0 | 115.3 | E902 P904 F907 N955 N962 D963 V966 M967 | E902-W960 VanDerWaalsContact O-CH2 3.27Å; E902-W960 WeakPolarHBondContact O-CH2 3.32Å; P904-W960 HydrophobicContact CB-CH2 3.97Å; P904-W960 HydrophobicContact CB-CZ3 4.05Å; F907-W960 HydrophobicContact CB-CZ2 3.85Å; F907-W960 AromaticContact CD1-CE2 3.84Å; F907-W960 HydrophobicContact CD1-CZ2 4.17Å; F907-W960 AromaticContact CD1-NE1 3.48Å; F907-W960 HydrophobicContact CD2-CZ2 4.23Å; F907-W960 AromaticContact CD2-NE1 3.52Å; F907-W960 AromaticContact CE1-CD1 3.52Å; F907-W960 HydrophobicContact CE1-CG 4.34Å; F907-W960 AromaticContact CE1-NE1 3.33Å; F907-W960 VanDerWaalsContact CE1-NE1 3.33Å; F907-W960 AromaticContact CE2-NE1 3.39Å; F907-W960 AromaticContact CG-CE2 3.86Å; F907-W960 AromaticContact CG-CZ2 3.83Å; F907-W960 HydrophobicContact CG-CZ2 3.83Å; F907-W960 AromaticContact CG-NE1 3.57Å; F907-W960 AromaticContact CZ-CD1 3.53Å; F907-W960 AromaticContact CZ-NE1 3.3Å; F907-W960 VanDerWaalsContact CZ-NE1 3.3Å; N955-W960 PolarHBondContact O-N 3.18Å; W960-N962 PolarHBondContact O-N 3.44Å; W960-D963 HydrophobicContact CE3-CB 3.89Å; W960-D963 HydrophobicContact CZ3-CB 4.28Å; W960-D963 PolarHBondContact O-N 2.74Å; W960-V966 HydrophobicContact CB-CG1 3.97Å; W960-V966 HydrophobicContact CD2-CB 4.09Å; W960-V966 HydrophobicContact CD2-CG1 3.54Å; W960-V966 HydrophobicContact CD2-CG2 4.36Å; W960-V966 HydrophobicContact CE3-CB 3.86Å; W960-V966 HydrophobicContact CE3-CG1 3.86Å; W960-V966 HydrophobicContact CE3-CG2 3.87Å; W960-V966 HydrophobicContact CG-CB 4.4Å; W960-V966 HydrophobicContact CG-CG1 3.59Å; W960-V966 HydrophobicContact CH2-CG2 4.32Å; W960-V966 HydrophobicContact CZ3-CB 4.36Å; W960-V966 HydrophobicContact CZ3-CG2 3.84Å; W960-M967 VanDerWaalsContact O-CG 3.32Å; W960-M967 WeakPolarHBondContact O-CG 3.19Å |
| 961 | K | 88.8 | Confident | 94.2 | Very high | 90 Ų | 90 | 32.5 Ų | 32.5 | 39% | 0.391 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -15.3 | -175.4 | 68 | -171.9 | 176.2 | -164.5 | 0 | 116.5 | K959 M967 Q1004 R1007 | K959-K961 VanDerWaalsContact C-N 3.33Å; K959-K961 PolarHBondContact O-N 3.09Å; K961-M967 VanDerWaalsContact C-SD 3.57Å; K961-M967 WeakPolarHBondContact O-CE 3.35Å; K961-Q1004 PolarHBondContact O-NE2 3.48Å; K961-R1007 PolarHBondContact O-NH2 3.27Å |
| 962 | N | 89 | Confident | 94.2 | Very high | 119 Ų | 119 | 31.6 Ų | 31.6 | 64% | 0.636 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.5 | -12.4 | -177.9 | -69.6 | -15.5 | 0 | 0 | 0 | 114.6 | W960 P964 R1007 | W960-N962 PolarHBondContact O-N 3.44Å; N962-P964 WeakPolarHBondContact O-CD 3.39Å; N962-R1007 PolarHBondContact OD1-NH2 2.73Å |
| 963 | D | 93 | Very high | 94.2 | Very high | 47 Ų | 47 | 31.6 Ų | 31.6 | 25% | 0.251 | 16% | 0.161 | S | C | . | . | trans | -97 | 112 | 178.6 | -172.4 | -50.9 | 0 | 0 | 0 | 111.3 | W960 S965 V966 M967 | W960-D963 HydrophobicContact CE3-CB 3.89Å; W960-D963 HydrophobicContact CZ3-CB 4.28Å; W960-D963 PolarHBondContact O-N 2.74Å; D963-S965 PolarHBondContact O-N 2.79Å; D963-S965 WeakPolarHBondContact OD1-CA 3.46Å; D963-S965 WeakPolarHBondContact OD1-CB 3.3Å; D963-S965 PolarHBondContact OD1-N 3.25Å; D963-V966 HydrophobicContact CB-CB 4.14Å; D963-V966 HydrophobicContact CB-CG2 4.29Å; D963-V966 PolarHBondContact OD1-N 3.2Å; D963-M967 VanDerWaalsContact C-CE 3.45Å; D963-M967 WeakPolarHBondContact O-CB 3.26Å; D963-M967 VanDerWaalsContact O-CE 3.23Å; D963-M967 WeakPolarHBondContact O-CE 3.48Å; D963-M967 VanDerWaalsContact O-CG 3.28Å; D963-M967 WeakPolarHBondContact O-CG 3.42Å; D963-M967 PolarHBondContact O-N 3.09Å | ||
| 964 | P | 91.9 | Very high | 94.2 | Very high | 37 Ų | 37 | 31.6 Ų | 31.6 | 24% | 0.24 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.9 | -33.1 | 179.6 | -26.4 | 38.2 | 0 | 0 | 0 | 115.4 | N962 L968 Q1015 I1019 | N962-P964 WeakPolarHBondContact O-CD 3.39Å; P964-L968 VanDerWaalsContact O-CG 3.31Å; P964-L968 WeakPolarHBondContact O-CG 3.42Å; P964-L968 PolarHBondContact O-N 3.31Å; P964-Q1015 HydrophobicContact CB-CG 3.89Å; P964-Q1015 HydrophobicContact CG-CG 4.27Å; P964-I1019 HydrophobicContact CB-CD1 3.98Å; P964-I1019 HydrophobicContact CG-CD1 4.48Å |
| 965 | S | 90.4 | Very high | 94 | Very high | 50 Ų | 50 | 31.1 Ų | 31.1 | 35% | 0.35 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -73 | -47.2 | -176.7 | -169.2 | 0 | 0 | 0 | 0 | 110 | Q908 D963 Y969 | Q908-S965 PolarHBondContact NE2-O 3.34Å; Q908-S965 PolarHBondContact NE2-OG 3.17Å; D963-S965 PolarHBondContact O-N 2.79Å; D963-S965 WeakPolarHBondContact OD1-CA 3.46Å; D963-S965 WeakPolarHBondContact OD1-CB 3.3Å; D963-S965 PolarHBondContact OD1-N 3.25Å; S965-Y969 WeakPolarHBondContact O-CB 3.41Å; S965-Y969 PolarHBondContact O-N 3.17Å; S965-Y969 VanDerWaalsContact O-N 3.08Å |
| 966 | V | 94.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68.6 | -42.4 | 177.4 | -178.2 | 0 | 0 | 0 | 0 | 111.4 | P904 F907 W960 D963 L968 Y969 L970 | P904-V966 HydrophobicContact CB-CG2 3.47Å; P904-V966 VanDerWaalsContact CB-CG2 3.47Å; F907-V966 HydrophobicContact CD1-CG1 3.48Å; F907-V966 VanDerWaalsContact CD1-CG1 3.48Å; F907-V966 HydrophobicContact CE1-CG1 3.67Å; W960-V966 HydrophobicContact CB-CG1 3.97Å; W960-V966 HydrophobicContact CD2-CB 4.09Å; W960-V966 HydrophobicContact CD2-CG1 3.54Å; W960-V966 HydrophobicContact CD2-CG2 4.36Å; W960-V966 HydrophobicContact CE3-CB 3.86Å; W960-V966 HydrophobicContact CE3-CG1 3.86Å; W960-V966 HydrophobicContact CE3-CG2 3.87Å; W960-V966 HydrophobicContact CG-CB 4.4Å; W960-V966 HydrophobicContact CG-CG1 3.59Å; W960-V966 HydrophobicContact CH2-CG2 4.32Å; W960-V966 HydrophobicContact CZ3-CB 4.36Å; W960-V966 HydrophobicContact CZ3-CG2 3.84Å; D963-V966 HydrophobicContact CB-CB 4.14Å; D963-V966 HydrophobicContact CB-CG2 4.29Å; D963-V966 PolarHBondContact OD1-N 3.2Å; V966-L968 PolarHBondContact O-N 3.39Å; V966-Y969 PolarHBondContact O-N 3.4Å; V966-L970 WeakPolarHBondContact O-CB 3.38Å; V966-L970 PolarHBondContact O-N 2.98Å |
| 967 | M | 95.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.8 | -46.2 | 176.3 | -79.5 | -173.7 | -78.4 | 0 | 0 | 112.6 | L956 W960 K961 D963 L970 L971 F1000 I1019 | L956-M967 HydrophobicContact CD1-CB 4.41Å; L956-M967 HydrophobicContact CD1-CG 4.24Å; W960-M967 VanDerWaalsContact O-CG 3.32Å; W960-M967 WeakPolarHBondContact O-CG 3.19Å; K961-M967 VanDerWaalsContact C-SD 3.57Å; K961-M967 WeakPolarHBondContact O-CE 3.35Å; D963-M967 VanDerWaalsContact C-CE 3.45Å; D963-M967 WeakPolarHBondContact O-CB 3.26Å; D963-M967 VanDerWaalsContact O-CE 3.23Å; D963-M967 WeakPolarHBondContact O-CE 3.48Å; D963-M967 VanDerWaalsContact O-CG 3.28Å; D963-M967 WeakPolarHBondContact O-CG 3.42Å; D963-M967 PolarHBondContact O-N 3.09Å; M967-L970 PolarHBondContact O-N 2.94Å; M967-L971 WeakPolarHBondContact O-CB 3.31Å; M967-L971 VanDerWaalsContact O-CG 3.28Å; M967-L971 WeakPolarHBondContact O-CG 3.22Å; M967-L971 PolarHBondContact O-N 2.96Å; M967-F1000 HydrophobicContact CB-CZ 4.46Å; M967-F1000 HydrophobicContact CG-CE2 4.28Å; M967-F1000 HydrophobicContact CG-CZ 4.16Å; M967-F1000 HydrophobicContact SD-CE2 3.68Å; M967-F1000 HydrophobicContact SD-CZ 3.57Å; M967-F1000 VanDerWaalsContact SD-CZ 3.57Å; M967-I1019 HydrophobicContact CB-CG2 4.25Å; M967-I1019 HydrophobicContact CE-CD1 3.78Å; M967-I1019 HydrophobicContact SD-CG2 4.23Å |
| 968 | L | 95.1 | Very high | 93.5 | Very high | 17 Ų | 17 | 30.5 Ų | 30.5 | 9% | 0.089 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.3 | -40.9 | 177.8 | -71.7 | 171.4 | 0 | 0 | 0 | 111.8 | P964 V966 L971 E972 I1019 A1022 L1681 | P964-L968 VanDerWaalsContact O-CG 3.31Å; P964-L968 WeakPolarHBondContact O-CG 3.42Å; P964-L968 PolarHBondContact O-N 3.31Å; V966-L968 PolarHBondContact O-N 3.39Å; L968-L971 PolarHBondContact O-N 3.04Å; L968-E972 VanDerWaalsContact O-CG 3.27Å; L968-E972 WeakPolarHBondContact O-CG 3.35Å; L968-E972 PolarHBondContact O-N 2.68Å; L968-I1019 HydrophobicContact CD2-CB 4.47Å; L968-I1019 HydrophobicContact CD2-CG1 3.99Å; L968-I1019 HydrophobicContact CG-CG1 3.98Å; L968-A1022 HydrophobicContact CD2-CB 3.63Å; L968-L1681 HydrophobicContact CD2-CD1 4.25Å |
| 969 | Y | 95.5 | Very high | 93.1 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.008 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.6 | -38.3 | 178.8 | -159.8 | -80.5 | 0 | 0 | 0 | 112 | Q908 L911 S912 S965 V966 E972 I973 G1651 Q1654 R1678 | Q908-Y969 HydrophobicContact CB-CD1 4.07Å; Q908-Y969 HydrophobicContact CB-CD2 4.49Å; Q908-Y969 HydrophobicContact CB-CE1 4.15Å; Q908-Y969 HydrophobicContact CB-CG 4.26Å; Q908-Y969 HydrophobicContact CG-CD1 3.92Å; Q908-Y969 HydrophobicContact CG-CD2 4.2Å; Q908-Y969 HydrophobicContact CG-CE1 4.49Å; Q908-Y969 HydrophobicContact CG-CG 3.76Å; Q908-Y969 WeakPolarHBondContact O-CE1 3.47Å; L911-Y969 HydrophobicContact CB-CD1 4.45Å; L911-Y969 HydrophobicContact CB-CE1 4.25Å; L911-Y969 HydrophobicContact CD1-CD1 3.84Å; L911-Y969 HydrophobicContact CD1-CE1 4.45Å; S912-Y969 PolarHBondContact OG-OH 2.84Å; S965-Y969 WeakPolarHBondContact O-CB 3.41Å; S965-Y969 PolarHBondContact O-N 3.17Å; S965-Y969 VanDerWaalsContact O-N 3.08Å; V966-Y969 PolarHBondContact O-N 3.4Å; Y969-E972 WeakPolarHBondContact O-CB 3.5Å; Y969-E972 PolarHBondContact O-N 2.75Å; Y969-I973 HydrophobicContact CD1-CG1 3.84Å; Y969-I973 HydrophobicContact CE1-CD1 3.91Å; Y969-I973 HydrophobicContact CE1-CG1 3.72Å; Y969-I973 VanDerWaalsContact O-CG1 3.26Å; Y969-I973 WeakPolarHBondContact O-CG1 3.48Å; Y969-I973 PolarHBondContact O-N 3.3Å; Y969-G1651 VanDerWaalsContact CE2-CA 3.41Å; Y969-G1651 VanDerWaalsContact CE2-N 3.3Å; Y969-G1651 VanDerWaalsContact CZ-CA 3.48Å; Y969-G1651 VanDerWaalsContact OH-CA 3.28Å; Y969-G1651 WeakPolarHBondContact OH-CA 3.33Å; Y969-Q1654 PolarHBondContact OH-NE2 3.17Å; Y969-R1678 VanDerWaalsContact N-NH2 3.2Å |
| 970 | L | 96.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -67.9 | -38.5 | 176.8 | -174.5 | 54.8 | 0 | 0 | 0 | 111.5 | F907 L911 L952 N955 L956 V966 M967 I973 I974 | F907-L970 HydrophobicContact CE1-CD1 4.43Å; F907-L970 HydrophobicContact CE1-CD2 4.26Å; F907-L970 HydrophobicContact CZ-CD2 4.49Å; L911-L970 HydrophobicContact CD1-CB 4.22Å; L911-L970 HydrophobicContact CD1-CD1 3.84Å; L911-L970 HydrophobicContact CD2-CD1 3.63Å; L911-L970 HydrophobicContact CG-CD1 4.41Å; L952-L970 HydrophobicContact CB-CD1 3.99Å; L952-L970 HydrophobicContact CD1-CD1 4.23Å; L952-L970 HydrophobicContact CD2-CD1 4.13Å; L952-L970 HydrophobicContact CG-CD1 4.33Å; N955-L970 HydrophobicContact CB-CD2 4.31Å; L956-L970 HydrophobicContact CB-CD2 3.61Å; L956-L970 HydrophobicContact CB-CG 4.19Å; L956-L970 HydrophobicContact CD1-CB 4.39Å; L956-L970 HydrophobicContact CD1-CD2 4.01Å; L956-L970 HydrophobicContact CD1-CG 4.24Å; L956-L970 HydrophobicContact CG-CD2 4.41Å; V966-L970 WeakPolarHBondContact O-CB 3.38Å; V966-L970 PolarHBondContact O-N 2.98Å; M967-L970 PolarHBondContact O-N 2.94Å; L970-I973 PolarHBondContact O-N 3.07Å; L970-I974 HydrophobicContact CD1-CD1 4.12Å; L970-I974 HydrophobicContact CD1-CG1 4.42Å; L970-I974 HydrophobicContact CG-CD1 3.98Å; L970-I974 WeakPolarHBondContact O-CB 3.5Å; L970-I974 WeakPolarHBondContact O-CD1 3.46Å; L970-I974 VanDerWaalsContact O-CG1 3.24Å; L970-I974 WeakPolarHBondContact O-CG1 3.12Å; L970-I974 PolarHBondContact O-N 3.23Å |
| 971 | L | 96.5 | Very high | 92.4 | Very high | 5 Ų | 5 | 26.5 Ų | 26.5 | 3% | 0.026 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.1 | -38.8 | 171 | -74.8 | 169.2 | 0 | 0 | 0 | 112.6 | L956 M967 L968 S975 F1000 I1019 A1022 A1023 C1026 | L956-L971 HydrophobicContact CD1-CD2 4.46Å; L956-L971 HydrophobicContact CD1-CG 4.2Å; L956-L971 HydrophobicContact CD2-CD2 3.71Å; L956-L971 HydrophobicContact CD2-CG 4.32Å; M967-L971 WeakPolarHBondContact O-CB 3.31Å; M967-L971 VanDerWaalsContact O-CG 3.28Å; M967-L971 WeakPolarHBondContact O-CG 3.22Å; M967-L971 PolarHBondContact O-N 2.96Å; L968-L971 PolarHBondContact O-N 3.04Å; L971-S975 WeakPolarHBondContact O-CB 3.26Å; L971-S975 PolarHBondContact O-N 2.82Å; L971-F1000 HydrophobicContact CD1-CE1 4.14Å; L971-I1019 HydrophobicContact CD1-CG2 4.22Å; L971-A1022 HydrophobicContact CD1-CB 4.05Å; L971-A1023 HydrophobicContact CD1-CB 4.07Å; L971-A1023 HydrophobicContact CD2-CB 4.03Å; L971-C1026 HydrophobicContact CD2-CB 4.15Å |
| 972 | E | 95.3 | Very high | 92.3 | Very high | 18 Ų | 18 | 22.6 Ų | 22.6 | 8% | 0.084 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.2 | -43.9 | 174.2 | -75.1 | 166 | 171.8 | 0 | 0 | 111.6 | L968 Y969 S975 G976 G1651 N1674 R1678 | L968-E972 VanDerWaalsContact O-CG 3.27Å; L968-E972 WeakPolarHBondContact O-CG 3.35Å; L968-E972 PolarHBondContact O-N 2.68Å; Y969-E972 WeakPolarHBondContact O-CB 3.5Å; Y969-E972 PolarHBondContact O-N 2.75Å; E972-S975 PolarHBondContact O-N 3.08Å; E972-G976 PolarHBondContact O-N 2.91Å; E972-G1651 PolarHBondContact OE2-N 3.08Å; E972-N1674 HydrophobicContact CG-CB 4.04Å; E972-R1678 VanDerWaalsContact CD-NH2 3.32Å; E972-R1678 WeakPolarHBondContact OE1-CG 3.33Å; E972-R1678 IonicContact OE1-CZ 3.41Å; E972-R1678 IonicContact OE1-NE 3.06Å; E972-R1678 PolarHBondContact OE1-NE 3.43Å; E972-R1678 IonicContact OE1-NH2 2.78Å; E972-R1678 PolarHBondContact OE1-NH2 3.43Å; E972-R1678 IonicContact OE2-CZ 3.09Å; E972-R1678 IonicContact OE2-NE 2.82Å; E972-R1678 IonicContact OE2-NH2 3.96Å; E972-R1678 PolarHBondContact OE2-NH2 3.28Å |
| 973 | I | 96.3 | Very high | 91.8 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -71 | -41.4 | 179.1 | -63.8 | -75.5 | 0 | 0 | 0 | 111.7 | L911 L915 L952 Y969 L970 S975 G976 L977 P1652 | L911-I973 HydrophobicContact CB-CD1 4.38Å; L911-I973 HydrophobicContact CB-CG1 3.97Å; L911-I973 HydrophobicContact CB-CG2 4.31Å; L911-I973 HydrophobicContact CD1-CG1 4.45Å; L915-I973 HydrophobicContact CB-CD1 4.37Å; L915-I973 HydrophobicContact CB-CG2 4.4Å; L915-I973 HydrophobicContact CD2-CD1 3.95Å; L952-I973 HydrophobicContact CD1-CG2 3.97Å; Y969-I973 HydrophobicContact CD1-CG1 3.84Å; Y969-I973 HydrophobicContact CE1-CD1 3.91Å; Y969-I973 HydrophobicContact CE1-CG1 3.72Å; Y969-I973 VanDerWaalsContact O-CG1 3.26Å; Y969-I973 WeakPolarHBondContact O-CG1 3.48Å; Y969-I973 PolarHBondContact O-N 3.3Å; L970-I973 PolarHBondContact O-N 3.07Å; I973-S975 VanDerWaalsContact C-N 3.3Å; I973-S975 PolarHBondContact O-N 3.07Å; I973-G976 WeakPolarHBondContact O-CA 3.43Å; I973-G976 PolarHBondContact O-N 3.13Å; I973-G976 VanDerWaalsContact O-N 3.12Å; I973-L977 PolarHBondContact O-N 3.07Å; I973-P1652 HydrophobicContact CD1-CB 3.71Å |
| 974 | I | 96.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.6 | -34.1 | 174.2 | -66.5 | 164.5 | 0 | 0 | 0 | 110.9 | L952 L956 L970 L977 S978 T993 I997 W1030 | L952-I974 HydrophobicContact CB-CD1 4.17Å; L952-I974 HydrophobicContact CB-CG1 4.09Å; L952-I974 HydrophobicContact CD1-CG1 4.34Å; L956-I974 HydrophobicContact CD2-CD1 4.06Å; L970-I974 HydrophobicContact CD1-CD1 4.12Å; L970-I974 HydrophobicContact CD1-CG1 4.42Å; L970-I974 HydrophobicContact CG-CD1 3.98Å; L970-I974 WeakPolarHBondContact O-CB 3.5Å; L970-I974 WeakPolarHBondContact O-CD1 3.46Å; L970-I974 VanDerWaalsContact O-CG1 3.24Å; L970-I974 WeakPolarHBondContact O-CG1 3.12Å; L970-I974 PolarHBondContact O-N 3.23Å; I974-L977 PolarHBondContact O-N 3.11Å; I974-S978 PolarHBondContact O-N 3.25Å; I974-T993 HydrophobicContact CG2-CG2 4.43Å; I974-I997 HydrophobicContact CG2-CD1 4.17Å; I974-W1030 HydrophobicContact CG2-CZ2 4.26Å; I974-W1030 PolarHBondContact O-NE1 3.41Å |
| 975 | S | 93.3 | Very high | 90.7 | Very high | 13 Ų | 13 | 24.7 Ų | 24.7 | 9% | 0.091 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.4 | -40.8 | 170.7 | -165.7 | 0 | 0 | 0 | 0 | 111.1 | L971 E972 I973 S978 S1029 | L971-S975 WeakPolarHBondContact O-CB 3.26Å; L971-S975 PolarHBondContact O-N 2.82Å; E972-S975 PolarHBondContact O-N 3.08Å; I973-S975 VanDerWaalsContact C-N 3.3Å; I973-S975 PolarHBondContact O-N 3.07Å; S975-S978 PolarHBondContact O-N 3.48Å; S975-S978 PolarHBondContact O-OG 3.22Å; S975-S1029 PolarHBondContact OG-OG 2.91Å |
| 976 | G | 91.3 | Very high | 90.5 | Very high | 4 Ų | 4 | 24.3 Ų | 24.3 | 4% | 0.041 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.9 | -43.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | E972 I973 S978 S979 | E972-G976 PolarHBondContact O-N 2.91Å; I973-G976 WeakPolarHBondContact O-CA 3.43Å; I973-G976 PolarHBondContact O-N 3.13Å; I973-G976 VanDerWaalsContact O-N 3.12Å; G976-S978 PolarHBondContact O-N 3.18Å; G976-S979 PolarHBondContact O-N 3.05Å; G976-S979 PolarHBondContact O-OG 3.44Å |
| 977 | L | 93.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -56.6 | -32.1 | 177.1 | -76.4 | 176.8 | 0 | 0 | 0 | 113.7 | L915 I918 F945 L948 T949 L952 I973 I974 S979 V980 W1030 | L915-L977 HydrophobicContact CD1-CD2 3.73Å; L915-L977 HydrophobicContact CD1-CG 4.13Å; I918-L977 HydrophobicContact CD1-CD2 4.4Å; I918-L977 HydrophobicContact CG2-CD2 3.73Å; F945-L977 HydrophobicContact CE2-CB 4.4Å; L948-L977 HydrophobicContact CD2-CD1 4.46Å; L948-L977 HydrophobicContact CD2-CD2 4.19Å; T949-L977 HydrophobicContact CG2-CD1 4.4Å; L952-L977 HydrophobicContact CD1-CD1 3.8Å; I973-L977 PolarHBondContact O-N 3.07Å; I974-L977 PolarHBondContact O-N 3.11Å; L977-S979 PolarHBondContact O-N 2.95Å; L977-V980 HydrophobicContact CD2-CG2 4.38Å; L977-V980 WeakPolarHBondContact O-CB 3.44Å; L977-V980 PolarHBondContact O-N 2.84Å; L977-V980 VanDerWaalsContact O-N 3.14Å; L977-W1030 HydrophobicContact CB-CZ2 4.13Å |
| 978 | S | 89.7 | Confident | 89.9 | Confident | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.007 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.4 | -31.6 | 175.4 | 68 | 0 | 0 | 0 | 0 | 112.8 | I974 S975 G976 V980 S1029 Q1033 H1034 | I974-S978 PolarHBondContact O-N 3.25Å; S975-S978 PolarHBondContact O-N 3.48Å; S975-S978 PolarHBondContact O-OG 3.22Å; G976-S978 PolarHBondContact O-N 3.18Å; S978-V980 VanDerWaalsContact C-N 3.3Å; S978-V980 PolarHBondContact O-N 3.48Å; S978-S1029 PolarHBondContact OG-OG 2.77Å; S978-Q1033 WeakPolarHBondContact O-CG 3.35Å; S978-H1034 PolarHBondContact O-CE1 3.22Å; S978-H1034 VanDerWaalsContact O-CE1 3.23Å; S978-H1034 PolarHBondContact O-NE2 3.39Å |
| 979 | S | 87.2 | Confident | 89.7 | Confident | 39 Ų | 39 | 30.4 Ų | 30.4 | 27% | 0.273 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -3.2 | -179.4 | 67.6 | 0 | 0 | 0 | 0 | 114.8 | G976 L977 Q1670 | G976-S979 PolarHBondContact O-N 3.05Å; G976-S979 PolarHBondContact O-OG 3.44Å; L977-S979 PolarHBondContact O-N 2.95Å; S979-Q1670 PolarHBondContact OG-NE2 2.79Å |
| 980 | V | 89.4 | Confident | 89.4 | Confident | 6 Ų | 6 | 30.6 Ų | 30.6 | 4% | 0.036 | 19% | 0.188 | C | C | . | . | trans | -81.4 | 123.7 | -178 | -175.4 | 0 | 0 | 0 | 0 | 110.2 | L915 I918 E919 L977 S978 V982 | L915-V980 HydrophobicContact CD1-CG2 4.25Å; I918-V980 HydrophobicContact CG2-CG2 4.42Å; E919-V980 HydrophobicContact CG-CG2 3.95Å; L977-V980 HydrophobicContact CD2-CG2 4.38Å; L977-V980 WeakPolarHBondContact O-CB 3.44Å; L977-V980 PolarHBondContact O-N 2.84Å; L977-V980 VanDerWaalsContact O-N 3.14Å; S978-V980 VanDerWaalsContact C-N 3.3Å; S978-V980 PolarHBondContact O-N 3.48Å; V980-V982 HydrophobicContact CG1-CG2 4.02Å; V980-V982 PolarHBondContact O-N 3.3Å | ||
| 981 | N | 82.9 | Confident | 89.2 | Confident | 106 Ų | 106 | 34.6 Ų | 34.6 | 57% | 0.567 | 20% | 0.203 | S | C | * | . | trans | -80.8 | 110.1 | 179.7 | -68.7 | -47.3 | 0 | 0 | 0 | 110.4 | S922 | S922-N981 PolarHBondContact OG-O 2.94Š| ||
| 982 | V | 85.3 | Confident | 89 | Confident | 8 Ų | 8 | 38.4 Ų | 38.4 | 5% | 0.048 | 22% | 0.221 | C | C | . | . | trans | -116.3 | 130.6 | -175.5 | 177.3 | 0 | 0 | 0 | 0 | 110.8 | S942 F945 V980 V985 | S942-V982 VanDerWaalsContact CA-CG1 3.4Å; F945-V982 HydrophobicContact CB-CG1 4.2Å; F945-V982 HydrophobicContact CB-CG2 4.1Å; F945-V982 HydrophobicContact CD2-CG2 3.64Å; F945-V982 HydrophobicContact CE2-CG2 4.12Å; F945-V982 HydrophobicContact CG-CG1 4.42Å; F945-V982 HydrophobicContact CG-CG2 3.87Å; V980-V982 HydrophobicContact CG1-CG2 4.02Å; V980-V982 PolarHBondContact O-N 3.3Å; V982-V985 VanDerWaalsContact O-CG2 3.29Å; V982-V985 WeakPolarHBondContact O-CG2 3.05Å | ||
| 983 | T | 79.7 | Confident | 89 | Confident | 88 Ų | 88 | 37.6 Ų | 37.6 | 54% | 0.54 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -134.2 | 130.8 | 178.8 | 47.8 | 0 | 0 | 0 | 0 | 111.1 | ||
| 984 | P | 80.5 | Confident | 88.9 | Confident | 93 Ų | 93 | 37.5 Ų | 37.5 | 60% | 0.604 | 22% | 0.217 | S | C | * | . | S | Bend | cis | -69.4 | 158.1 | -8.9 | 32.1 | -36.5 | 0 | 0 | 0 | 112.1 | S942 | S942-P984 WeakPolarHBondContact CB-O 3.14Å; S942-P984 PolarHBondContact OG-O 2.99Å |
| 985 | V | 79.7 | Confident | 88.8 | Confident | 66 Ų | 66 | 41.2 Ų | 41.2 | 40% | 0.4 | 23% | 0.231 | S | C | . | . | trans | -87 | 127.1 | 177.7 | -174.6 | 0 | 0 | 0 | 0 | 109.3 | V982 P987 Y990 L1037 | V982-V985 VanDerWaalsContact O-CG2 3.29Å; V982-V985 WeakPolarHBondContact O-CG2 3.05Å; V985-P987 WeakPolarHBondContact O-CD 3.37Å; V985-Y990 HydrophobicContact CG1-CD2 4.02Å; V985-Y990 HydrophobicContact CG1-CE2 3.45Å; V985-Y990 VanDerWaalsContact CG1-CE2 3.45Å; V985-L1037 HydrophobicContact CG1-CD1 3.64Å; V985-L1037 HydrophobicContact CG1-CD2 4.47Å | ||
| 986 | D | 86.4 | Confident | 88.9 | Confident | 43 Ų | 43 | 41 Ų | 41 | 23% | 0.23 | 23% | 0.229 | C | C | . | . | trans | -98.1 | 107.1 | 171.6 | 161 | 37 | 0 | 0 | 0 | 110.7 | S988 T989 Y990 | D986-S988 PolarHBondContact O-N 3.11Å; D986-S988 VanDerWaalsContact O-N 3.09Å; D986-S988 WeakPolarHBondContact OD1-CB 3.42Å; D986-S988 PolarHBondContact OD1-N 3.22Å; D986-S988 PolarHBondContact OD1-OG 2.96Å; D986-S988 PolarHBondContact OD2-OG 2.9Å; D986-T989 PolarHBondContact O-N 2.85Å; D986-T989 VanDerWaalsContact OD2-CB 3.26Å; D986-T989 WeakPolarHBondContact OD2-CB 3.47Å; D986-T989 PolarHBondContact OD2-N 3.24Å; D986-T989 PolarHBondContact OD2-OG1 3.45Å; D986-Y990 WeakPolarHBondContact O-CD2 3.3Å | ||
| 987 | P | 87 | Confident | 89.2 | Confident | 66 Ų | 66 | 40.8 Ų | 40.8 | 43% | 0.429 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61 | -20.8 | -179.2 | -22.6 | 34 | 0 | 0 | 0 | 114.7 | V985 R991 L1037 | V985-P987 WeakPolarHBondContact O-CD 3.37Å; P987-R991 WeakPolarHBondContact O-CB 3.22Å; P987-R991 PolarHBondContact O-N 2.95Å; P987-L1037 HydrophobicContact CG-CD2 4.44Å |
| 988 | S | 90.1 | Very high | 89.3 | Confident | 72 Ų | 72 | 40.9 Ų | 40.9 | 50% | 0.503 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -71.9 | -40.9 | -178.3 | 78.3 | 0 | 0 | 0 | 0 | 111.9 | D986 R991 H992 | D986-S988 PolarHBondContact O-N 3.11Å; D986-S988 VanDerWaalsContact O-N 3.09Å; D986-S988 WeakPolarHBondContact OD1-CB 3.42Å; D986-S988 PolarHBondContact OD1-N 3.22Å; D986-S988 PolarHBondContact OD1-OG 2.96Å; D986-S988 PolarHBondContact OD2-OG 2.9Å; S988-R991 PolarHBondContact O-N 2.97Å; S988-H992 WeakPolarHBondContact O-CB 3.49Å; S988-H992 PolarHBondContact O-N 3.18Å |
| 989 | T | 91 | Very high | 89.6 | Confident | 8 Ų | 8 | 44.1 Ų | 44.1 | 5% | 0.049 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.2 | -43 | 175.5 | -66.6 | 0 | 0 | 0 | 0 | 112.5 | F945 N946 P950 D986 H992 T993 | F945-T989 HydrophobicContact CD1-CG2 3.99Å; F945-T989 HydrophobicContact CE1-CG2 3.94Å; N946-T989 PolarHBondContact OD1-OG1 2.9Å; P950-T989 HydrophobicContact CG-CG2 4.44Å; D986-T989 PolarHBondContact O-N 2.85Å; D986-T989 VanDerWaalsContact OD2-CB 3.26Å; D986-T989 WeakPolarHBondContact OD2-CB 3.47Å; D986-T989 PolarHBondContact OD2-N 3.24Å; D986-T989 PolarHBondContact OD2-OG1 3.45Å; T989-H992 PolarHBondContact O-N 3.45Å; T989-T993 WeakPolarHBondContact O-CB 3.43Å; T989-T993 PolarHBondContact O-N 3.32Å; T989-T993 PolarHBondContact O-OG1 2.76Å |
| 990 | Y | 90.8 | Very high | 90.1 | Very high | 5 Ų | 5 | 42.3 Ų | 42.3 | 2% | 0.02 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.9 | -43.9 | 176.7 | -67 | -96.2 | 0 | 0 | 0 | 111.5 | F945 V985 D986 T993 V994 W1030 H1034 | F945-Y990 HydrophobicContact CE1-CE1 4.15Å; F945-Y990 AromaticContact CE1-CE2 3.9Å; F945-Y990 HydrophobicContact CE1-CE2 3.9Å; F945-Y990 AromaticContact CE1-CZ 3.61Å; F945-Y990 HydrophobicContact CZ-CE1 4.07Å; F945-Y990 AromaticContact CZ-CZ 3.86Å; V985-Y990 HydrophobicContact CG1-CD2 4.02Å; V985-Y990 HydrophobicContact CG1-CE2 3.45Å; V985-Y990 VanDerWaalsContact CG1-CE2 3.45Å; D986-Y990 WeakPolarHBondContact O-CD2 3.3Å; Y990-T993 PolarHBondContact O-N 2.65Å; Y990-V994 PolarHBondContact O-N 2.85Å; Y990-W1030 AromaticContact CD1-CE3 3.78Å; Y990-W1030 HydrophobicContact CD1-CE3 3.78Å; Y990-W1030 HydrophobicContact CD1-CH2 4.48Å; Y990-W1030 AromaticContact CD1-CZ3 3.37Å; Y990-W1030 HydrophobicContact CD1-CZ3 3.37Å; Y990-W1030 HydrophobicContact CE1-CE3 4.36Å; Y990-W1030 AromaticContact CE1-CZ3 3.73Å; Y990-W1030 HydrophobicContact CE1-CZ3 3.73Å; Y990-W1030 HydrophobicContact CG-CZ3 4.16Å; Y990-H1034 HydrophobicContact CD1-CB 4.17Å; Y990-H1034 AromaticContact CD1-CD2 3.6Å; Y990-H1034 AromaticContact CD1-CG 3.63Å; Y990-H1034 AromaticContact CD1-NE2 3.98Å; Y990-H1034 AromaticContact CE1-CD2 3.61Å; Y990-H1034 AromaticContact CE1-CE1 3.45Å; Y990-H1034 VanDerWaalsContact CE1-CE1 3.45Å; Y990-H1034 WeakPolarHBondContact CE1-CE1 3.4Å; Y990-H1034 AromaticContact CE1-CG 3.65Å; Y990-H1034 AromaticContact CE1-ND1 3.55Å; Y990-H1034 AromaticContact CE1-NE2 3.48Å; Y990-H1034 WeakPolarHBondContact CE1-NE2 3.47Å |
| 991 | R | 91.2 | Very high | 90.4 | Very high | 84 Ų | 84 | 42 Ų | 42 | 32% | 0.317 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.1 | -44.4 | 176.7 | -173.3 | -166.4 | -58.1 | -131.8 | 7.7 | 111.9 | P987 S988 R995 D1041 | P987-R991 WeakPolarHBondContact O-CB 3.22Å; P987-R991 PolarHBondContact O-N 2.95Å; S988-R991 PolarHBondContact O-N 2.97Å; R991-R995 WeakPolarHBondContact O-CB 3.44Å; R991-R995 VanDerWaalsContact O-CG 3.24Å; R991-R995 WeakPolarHBondContact O-CG 3.34Å; R991-R995 PolarHBondContact O-N 2.85Å; R991-R995 VanDerWaalsContact O-N 3.12Å; R991-D1041 VanDerWaalsContact CD-OD2 3.27Å; R991-D1041 WeakPolarHBondContact CD-OD2 3.48Å; R991-D1041 WeakPolarHBondContact CG-OD2 3.35Å; R991-D1041 IonicContact CZ-OD1 3.07Å; R991-D1041 IonicContact CZ-OD2 3.66Å; R991-D1041 IonicContact NE-OD2 3.19Å; R991-D1041 PolarHBondContact NE-OD2 3.03Å; R991-D1041 IonicContact NH1-OD1 3.23Å; R991-D1041 PolarHBondContact NH1-OD1 3Å; R991-D1041 IonicContact NH1-OD2 2.62Å; R991-D1041 PolarHBondContact NH1-OD2 3.22Å; R991-D1041 IonicContact NH2-OD2 3.33Å |
| 992 | H | 92.3 | Very high | 91 | Very high | 86 Ų | 86 | 37.9 Ų | 37.9 | 40% | 0.398 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.9 | -50.1 | 175.2 | 177.7 | 77.7 | 0 | 0 | 0 | 111 | S988 T989 V994 R995 S996 | S988-H992 WeakPolarHBondContact O-CB 3.49Å; S988-H992 PolarHBondContact O-N 3.18Å; T989-H992 PolarHBondContact O-N 3.45Å; H992-V994 PolarHBondContact O-N 2.89Å; H992-R995 WeakPolarHBondContact O-CB 3.28Å; H992-R995 PolarHBondContact O-N 3.08Å; H992-R995 VanDerWaalsContact O-N 3.12Å; H992-S996 PolarHBondContact O-N 2.95Å; H992-S996 PolarHBondContact O-OG 2.93Å |
| 993 | T | 94.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -56.3 | -49.4 | -179 | -58.5 | 0 | 0 | 0 | 0 | 112.3 | T949 I974 T989 Y990 R995 S996 I997 W1030 | T949-T993 HydrophobicContact CG2-CG2 3.82Å; T949-T993 WeakPolarHBondContact CG2-OG1 3.48Å; I974-T993 HydrophobicContact CG2-CG2 4.43Å; T989-T993 WeakPolarHBondContact O-CB 3.43Å; T989-T993 PolarHBondContact O-N 3.32Å; T989-T993 PolarHBondContact O-OG1 2.76Å; Y990-T993 PolarHBondContact O-N 2.65Å; T993-R995 PolarHBondContact O-N 2.9Å; T993-S996 PolarHBondContact O-N 3.38Å; T993-I997 HydrophobicContact CG2-CD1 4.09Å; T993-I997 WeakPolarHBondContact O-CG1 3.45Å; T993-I997 PolarHBondContact O-N 2.82Å; T993-W1030 HydrophobicContact CG2-CD2 3.96Å; T993-W1030 HydrophobicContact CG2-CE3 3.93Å; T993-W1030 HydrophobicContact CG2-CH2 3.67Å; T993-W1030 HydrophobicContact CG2-CZ2 3.66Å; T993-W1030 HydrophobicContact CG2-CZ3 3.78Å |
| 994 | V | 94.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.7 | -41.5 | 177.3 | 169.8 | 0 | 0 | 0 | 0 | 111.6 | Y990 H992 S996 I997 C998 L1027 W1030 L1038 C1044 I1048 | Y990-V994 PolarHBondContact O-N 2.85Å; H992-V994 PolarHBondContact O-N 2.89Å; V994-S996 PolarHBondContact O-N 2.89Å; V994-I997 PolarHBondContact O-N 2.85Å; V994-C998 WeakPolarHBondContact O-CB 3.36Å; V994-C998 PolarHBondContact O-N 3.27Å; V994-C998 PolarHBondContact O-SG 2.67Å; V994-C998 VanDerWaalsContact O-SG 3.38Å; V994-L1027 HydrophobicContact CG1-CD1 3.8Å; V994-W1030 HydrophobicContact CG2-CB 4.17Å; V994-L1038 HydrophobicContact CB-CD2 4.47Å; V994-L1038 HydrophobicContact CG2-CD1 3.99Å; V994-L1038 HydrophobicContact CG2-CD2 3.84Å; V994-C1044 VanDerWaalsContact CG1-SG 3.56Å; V994-I1048 HydrophobicContact CG1-CD1 3.93Å; V994-I1048 HydrophobicContact CG1-CG1 3.73Å |
| 995 | R | 94.3 | Very high | 92.6 | Very high | 77 Ų | 77 | 32.9 Ų | 32.9 | 29% | 0.291 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -62.1 | -41.9 | 175.2 | -73.2 | 173 | -176 | -174 | -0.7 | 112 | R991 H992 T993 C998 E999 D1041 E1043 T1047 | R991-R995 WeakPolarHBondContact O-CB 3.44Å; R991-R995 VanDerWaalsContact O-CG 3.24Å; R991-R995 WeakPolarHBondContact O-CG 3.34Å; R991-R995 PolarHBondContact O-N 2.85Å; R991-R995 VanDerWaalsContact O-N 3.12Å; H992-R995 WeakPolarHBondContact O-CB 3.28Å; H992-R995 PolarHBondContact O-N 3.08Å; H992-R995 VanDerWaalsContact O-N 3.12Å; T993-R995 PolarHBondContact O-N 2.9Å; R995-C998 WeakPolarHBondContact O-CB 3.47Å; R995-C998 PolarHBondContact O-N 3.27Å; R995-E999 WeakPolarHBondContact O-CB 3.16Å; R995-E999 PolarHBondContact O-N 3.22Å; R995-D1041 IonicContact NH2-OD2 3.54Å; R995-D1041 PolarHBondContact NH2-OD2 3.43Å; R995-E1043 IonicContact CZ-OE2 3.1Å; R995-E1043 IonicContact NH1-OE2 3.8Å; R995-E1043 IonicContact NH2-OE2 3.5Å; R995-E1043 PolarHBondContact NH2-OE2 2.9Å; R995-T1047 HydrophobicContact CG-CG2 4.33Å |
| 996 | S | 96.5 | Very high | 93.1 | Very high | 8 Ų | 8 | 34.4 Ų | 34.4 | 6% | 0.056 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.7 | -36.3 | 176.8 | -61.7 | 0 | 0 | 0 | 0 | 113.2 | H992 T993 V994 E999 F1000 | H992-S996 PolarHBondContact O-N 2.95Å; H992-S996 PolarHBondContact O-OG 2.93Å; T993-S996 PolarHBondContact O-N 3.38Å; V994-S996 PolarHBondContact O-N 2.89Å; S996-E999 PolarHBondContact O-N 2.79Å; S996-F1000 WeakPolarHBondContact O-CB 3.37Å; S996-F1000 PolarHBondContact O-N 3.3Å |
| 997 | I | 96.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.3 | -42.7 | 172.6 | -63.7 | 163.8 | 0 | 0 | 0 | 110.2 | I974 T993 V994 F1000 I1001 L1027 W1030 | I974-I997 HydrophobicContact CG2-CD1 4.17Å; T993-I997 HydrophobicContact CG2-CD1 4.09Å; T993-I997 WeakPolarHBondContact O-CG1 3.45Å; T993-I997 PolarHBondContact O-N 2.82Å; V994-I997 PolarHBondContact O-N 2.85Å; I997-F1000 PolarHBondContact O-N 2.74Å; I997-I1001 HydrophobicContact CG2-CD1 4.08Å; I997-I1001 WeakPolarHBondContact O-CG1 3.34Å; I997-I1001 PolarHBondContact O-N 3.01Å; I997-L1027 HydrophobicContact CG2-CB 3.95Å; I997-W1030 HydrophobicContact CD1-CG 4.5Å |
| 998 | C | 96.6 | Very high | 93.2 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.014 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.9 | -39.2 | 175.3 | -73.9 | 0 | 0 | 0 | 0 | 113.4 | V994 R995 T1002 T1047 T1051 | V994-C998 WeakPolarHBondContact O-CB 3.36Å; V994-C998 PolarHBondContact O-N 3.27Å; V994-C998 PolarHBondContact O-SG 2.67Å; V994-C998 VanDerWaalsContact O-SG 3.38Å; R995-C998 WeakPolarHBondContact O-CB 3.47Å; R995-C998 PolarHBondContact O-N 3.27Å; C998-T1002 WeakPolarHBondContact O-CB 3.32Å; C998-T1002 PolarHBondContact O-N 3.46Å; C998-T1002 PolarHBondContact O-OG1 3.03Å; C998-T1047 HydrophobicContact CB-CG2 3.93Å; C998-T1051 HydrophobicContact CB-CG2 4.15Å; C998-T1051 VanDerWaalsContact CB-OG1 3.31Å; C998-T1051 WeakPolarHBondContact CB-OG1 3.49Å |
| 999 | E | 95.9 | Very high | 92.8 | Very high | 69 Ų | 69 | 44.2 Ų | 44.2 | 32% | 0.322 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -63 | -46.7 | 172.4 | -175.5 | -175.6 | 161.8 | 0 | 0 | 110.6 | V957 Y958 R995 S996 I1001 T1002 N1003 | V957-E999 HydrophobicContact CG1-CG 4.25Å; Y958-E999 PolarHBondContact OH-OE1 3.26Å; Y958-E999 PolarHBondContact OH-OE2 2.99Å; R995-E999 WeakPolarHBondContact O-CB 3.16Å; R995-E999 PolarHBondContact O-N 3.22Å; S996-E999 PolarHBondContact O-N 2.79Å; E999-I1001 PolarHBondContact O-N 3.24Å; E999-T1002 WeakPolarHBondContact O-CB 3.5Å; E999-T1002 PolarHBondContact O-N 3.37Å; E999-N1003 WeakPolarHBondContact O-CB 3.35Å; E999-N1003 PolarHBondContact O-N 3.28Å; E999-N1003 PolarHBondContact O-ND2 2.87Å |
| 1000 | F | 96.7 | Very high | 92.5 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 0% | 0.004 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.3 | -50.4 | 175.1 | 178.2 | -100 | 0 | 0 | 0 | 111.8 | L956 V957 M967 L971 S996 I997 T1002 N1003 Q1004 I1019 A1023 | L956-F1000 HydrophobicContact CD1-CD2 4.11Å; L956-F1000 HydrophobicContact CD1-CE1 4.37Å; L956-F1000 HydrophobicContact CD1-CE2 3.67Å; L956-F1000 HydrophobicContact CD1-CZ 3.81Å; L956-F1000 HydrophobicContact CD2-CB 4.41Å; L956-F1000 HydrophobicContact CD2-CD1 4.27Å; L956-F1000 HydrophobicContact CD2-CD2 4.22Å; L956-F1000 HydrophobicContact CD2-CG 4.05Å; L956-F1000 HydrophobicContact CG-CD1 4.48Å; L956-F1000 HydrophobicContact CG-CD2 3.66Å; L956-F1000 HydrophobicContact CG-CE2 3.77Å; L956-F1000 HydrophobicContact CG-CG 4.02Å; L956-F1000 HydrophobicContact CG-CZ 4.25Å; V957-F1000 HydrophobicContact CG2-CB 4.14Å; M967-F1000 HydrophobicContact CB-CZ 4.46Å; M967-F1000 HydrophobicContact CG-CE2 4.28Å; M967-F1000 HydrophobicContact CG-CZ 4.16Å; M967-F1000 HydrophobicContact SD-CE2 3.68Å; M967-F1000 HydrophobicContact SD-CZ 3.57Å; M967-F1000 VanDerWaalsContact SD-CZ 3.57Å; L971-F1000 HydrophobicContact CD1-CE1 4.14Å; S996-F1000 WeakPolarHBondContact O-CB 3.37Å; S996-F1000 PolarHBondContact O-N 3.3Å; I997-F1000 PolarHBondContact O-N 2.74Å; F1000-T1002 VanDerWaalsContact C-N 3.3Å; F1000-T1002 PolarHBondContact O-N 2.71Å; F1000-N1003 PolarHBondContact O-N 2.9Å; F1000-Q1004 HydrophobicContact CD1-CG 4.17Å; F1000-Q1004 HydrophobicContact CD2-CG 4.19Å; F1000-Q1004 HydrophobicContact CE1-CG 3.83Å; F1000-Q1004 HydrophobicContact CE2-CG 3.88Å; F1000-Q1004 HydrophobicContact CG-CG 4.35Å; F1000-Q1004 HydrophobicContact CZ-CG 3.69Å; F1000-Q1004 VanDerWaalsContact O-CG 3.29Å; F1000-Q1004 WeakPolarHBondContact O-CG 3.39Å; F1000-Q1004 PolarHBondContact O-N 3Å; F1000-I1019 HydrophobicContact CE1-CG2 3.76Å; F1000-I1019 HydrophobicContact CZ-CG2 3.63Å; F1000-A1023 HydrophobicContact CD1-CB 3.98Å; F1000-A1023 HydrophobicContact CE1-CB 4.06Å |
| 1001 | I | 96.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -56.3 | -46.5 | 176.3 | -70 | 165.3 | 0 | 0 | 0 | 110.5 | I997 E999 N1003 Q1004 C1005 I1020 A1023 Y1024 L1027 T1051 | I997-I1001 HydrophobicContact CG2-CD1 4.08Å; I997-I1001 WeakPolarHBondContact O-CG1 3.34Å; I997-I1001 PolarHBondContact O-N 3.01Å; E999-I1001 PolarHBondContact O-N 3.24Å; I1001-N1003 PolarHBondContact O-N 2.82Å; I1001-Q1004 PolarHBondContact O-N 3.49Å; I1001-C1005 WeakPolarHBondContact O-CB 3.29Å; I1001-C1005 PolarHBondContact O-N 3.26Å; I1001-C1005 PolarHBondContact O-SG 3.45Å; I1001-I1020 HydrophobicContact CG2-CG2 4.41Å; I1001-A1023 HydrophobicContact CD1-CB 4Å; I1001-A1023 HydrophobicContact CG1-CB 3.57Å; I1001-Y1024 HydrophobicContact CD1-CD1 4.2Å; I1001-Y1024 HydrophobicContact CD1-CD2 4.46Å; I1001-Y1024 HydrophobicContact CD1-CE1 4.23Å; I1001-Y1024 HydrophobicContact CD1-CE2 4.48Å; I1001-Y1024 HydrophobicContact CD1-CG 4.31Å; I1001-Y1024 HydrophobicContact CG2-CE2 3.81Å; I1001-L1027 HydrophobicContact CD1-CD2 4.21Å; I1001-T1051 HydrophobicContact CB-CG2 3.85Å; I1001-T1051 HydrophobicContact CD1-CG2 4.09Å; I1001-T1051 HydrophobicContact CG2-CG2 3.6Å |
| 1002 | T | 94.6 | Very high | 92 | Very high | 20 Ų | 20 | 50.1 Ų | 50.1 | 12% | 0.123 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.5 | -46.5 | 177.9 | -58.3 | 0 | 0 | 0 | 0 | 111.2 | C998 E999 F1000 Q1004 C1005 N1006 L1054 K1060 | C998-T1002 WeakPolarHBondContact O-CB 3.32Å; C998-T1002 PolarHBondContact O-N 3.46Å; C998-T1002 PolarHBondContact O-OG1 3.03Å; E999-T1002 WeakPolarHBondContact O-CB 3.5Å; E999-T1002 PolarHBondContact O-N 3.37Å; F1000-T1002 VanDerWaalsContact C-N 3.3Å; F1000-T1002 PolarHBondContact O-N 2.71Å; T1002-Q1004 PolarHBondContact O-N 3.3Å; T1002-C1005 PolarHBondContact O-N 2.7Å; T1002-N1006 WeakPolarHBondContact O-CB 3.46Å; T1002-N1006 PolarHBondContact O-N 3.09Å; T1002-N1006 PolarHBondContact O-ND2 2.67Å; T1002-L1054 HydrophobicContact CG2-CD2 4.05Å; T1002-K1060 PolarHBondContact OG1-NZ 2.93Å; T1002-K1060 VanDerWaalsContact OG1-NZ 3.11Å |
| 1003 | N | 93.9 | Very high | 91.8 | Very high | 72 Ų | 72 | 53.1 Ų | 53.1 | 39% | 0.385 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -66.5 | -35.3 | -179.7 | -70.6 | -15.9 | 0 | 0 | 0 | 113 | E999 F1000 I1001 | E999-N1003 WeakPolarHBondContact O-CB 3.35Å; E999-N1003 PolarHBondContact O-N 3.28Å; E999-N1003 PolarHBondContact O-ND2 2.87Å; F1000-N1003 PolarHBondContact O-N 2.9Å; I1001-N1003 PolarHBondContact O-N 2.82Å |
| 1004 | Q | 93.9 | Very high | 91.5 | Very high | 3 Ų | 3 | 57.5 Ų | 57.5 | 1% | 0.014 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -76.3 | -33.8 | 176.4 | -62.8 | -61 | -22.2 | 0 | 0 | 112.2 | K961 F1000 I1001 T1002 R1007 L1016 I1020 | K961-Q1004 PolarHBondContact O-NE2 3.48Å; F1000-Q1004 HydrophobicContact CD1-CG 4.17Å; F1000-Q1004 HydrophobicContact CD2-CG 4.19Å; F1000-Q1004 HydrophobicContact CE1-CG 3.83Å; F1000-Q1004 HydrophobicContact CE2-CG 3.88Å; F1000-Q1004 HydrophobicContact CG-CG 4.35Å; F1000-Q1004 HydrophobicContact CZ-CG 3.69Å; F1000-Q1004 VanDerWaalsContact O-CG 3.29Å; F1000-Q1004 WeakPolarHBondContact O-CG 3.39Å; F1000-Q1004 PolarHBondContact O-N 3Å; I1001-Q1004 PolarHBondContact O-N 3.49Å; T1002-Q1004 PolarHBondContact O-N 3.3Å; Q1004-R1007 VanDerWaalsContact OE1-NE 3.12Å; Q1004-L1016 HydrophobicContact CB-CD1 4.07Å; Q1004-L1016 HydrophobicContact CG-CD1 4.48Å; Q1004-I1020 HydrophobicContact CB-CD1 4.06Å; Q1004-I1020 HydrophobicContact CB-CG1 3.69Å |
| 1005 | C | 91.8 | Very high | 91.2 | Very high | 9 Ų | 9 | 63 Ų | 63 | 6% | 0.061 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -71.5 | -30.7 | 174.5 | -66.2 | 0 | 0 | 0 | 0 | 112.9 | I1001 T1002 R1007 H1012 L1054 | I1001-C1005 WeakPolarHBondContact O-CB 3.29Å; I1001-C1005 PolarHBondContact O-N 3.26Å; I1001-C1005 PolarHBondContact O-SG 3.45Å; T1002-C1005 PolarHBondContact O-N 2.7Å; C1005-R1007 VanDerWaalsContact C-N 3.26Å; C1005-R1007 PolarHBondContact O-N 3.47Å; C1005-H1012 PolarHBondContact O-CE1 3.45Å; C1005-H1012 VanDerWaalsContact O-CE1 3.27Å; C1005-H1012 PolarHBondContact O-NE2 3.02Å; C1005-L1054 HydrophobicContact CB-CD2 3.96Å; C1005-L1054 HydrophobicContact CB-CG 4.32Å |
| 1006 | N | 90.5 | Very high | 91.2 | Very high | 98 Ų | 98 | 59.8 Ų | 59.8 | 52% | 0.524 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 16.3 | -179.2 | -70.1 | -14.8 | 0 | 0 | 0 | 114.2 | T1002 | T1002-N1006 WeakPolarHBondContact O-CB 3.46Å; T1002-N1006 PolarHBondContact O-N 3.09Å; T1002-N1006 PolarHBondContact O-ND2 2.67Å |
| 1007 | R | 89.5 | Confident | 91 | Very high | 66 Ų | 66 | 60.6 Ų | 60.6 | 25% | 0.249 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -70.4 | 163.3 | 177.2 | -74.8 | -171.2 | 160.7 | -175.4 | -7 | 112.1 | K961 N962 Q1004 C1005 D1011 H1012 L1016 | K961-R1007 PolarHBondContact O-NH2 3.27Å; N962-R1007 PolarHBondContact OD1-NH2 2.73Å; Q1004-R1007 VanDerWaalsContact OE1-NE 3.12Å; C1005-R1007 VanDerWaalsContact C-N 3.26Å; C1005-R1007 PolarHBondContact O-N 3.47Å; R1007-D1011 HydrophobicContact CB-CB 4.27Å; R1007-H1012 PolarHBondContact O-NE2 3.5Å; R1007-L1016 HydrophobicContact CB-CD2 4.14Å; R1007-L1016 HydrophobicContact CG-CD2 4.4Å |
| 1008 | E | 85.8 | Confident | 90.9 | Very high | 122 Ų | 122 | 61 Ų | 61 | 57% | 0.57 | 28% | 0.283 | S | S | * | . | trans | -64.3 | 141.5 | 173.4 | -73.8 | -176.5 | -121.6 | 0 | 0 | 110.5 | K1010 D1011 H1012 | E1008-K1010 HydrophobicContact CB-CD 4.24Å; E1008-K1010 HydrophobicContact CB-CG 4.09Å; E1008-K1010 PolarHBondContact O-N 2.78Å; E1008-K1010 IonicContact OE1-NZ 3.85Å; E1008-K1010 PolarHBondContact OE1-NZ 2.81Å; E1008-K1010 WeakPolarHBondContact OE2-CD 3.36Å; E1008-K1010 VanDerWaalsContact OE2-CE 3.26Å; E1008-K1010 WeakPolarHBondContact OE2-CE 3.28Å; E1008-K1010 IonicContact OE2-NZ 2.76Å; E1008-K1010 PolarHBondContact OE2-NZ 2.74Å; E1008-D1011 WeakPolarHBondContact O-CB 3.2Å; E1008-D1011 PolarHBondContact O-N 2.89Å; E1008-H1012 PolarHBondContact O-CD2 3.48Å | ||
| 1009 | K | 82.4 | Confident | 90.8 | Very high | 198 Ų | 198 | 61.1 Ų | 61.1 | 86% | 0.861 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -50.5 | -27.2 | -177.2 | -66.6 | -175 | 178.4 | -178.5 | 0 | 114.7 | D1011 H1012 | K1009-D1011 VanDerWaalsContact C-N 3.26Å; K1009-D1011 PolarHBondContact O-N 2.86Å; K1009-H1012 PolarHBondContact O-N 3.02Å |
| 1010 | K | 84.4 | Confident | 90.8 | Very high | 111 Ų | 111 | 57.8 Ų | 57.8 | 48% | 0.483 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -64.4 | -26.4 | 175.6 | 76.8 | -165.6 | -179.9 | -157.5 | 0 | 113.8 | E1008 | E1008-K1010 HydrophobicContact CB-CD 4.24Å; E1008-K1010 HydrophobicContact CB-CG 4.09Å; E1008-K1010 PolarHBondContact O-N 2.78Å; E1008-K1010 IonicContact OE1-NZ 3.85Å; E1008-K1010 PolarHBondContact OE1-NZ 2.81Å; E1008-K1010 WeakPolarHBondContact OE2-CD 3.36Å; E1008-K1010 VanDerWaalsContact OE2-CE 3.26Å; E1008-K1010 WeakPolarHBondContact OE2-CE 3.28Å; E1008-K1010 IonicContact OE2-NZ 2.76Å; E1008-K1010 PolarHBondContact OE2-NZ 2.74Å |
| 1011 | D | 83.7 | Confident | 90.8 | Very high | 65 Ų | 65 | 58 Ų | 58 | 35% | 0.348 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -92.9 | -10.1 | -175.2 | -58.3 | -42.9 | 0 | 0 | 0 | 112.3 | R1007 E1008 K1009 K1013 L1016 | R1007-D1011 HydrophobicContact CB-CB 4.27Å; E1008-D1011 WeakPolarHBondContact O-CB 3.2Å; E1008-D1011 PolarHBondContact O-N 2.89Å; K1009-D1011 VanDerWaalsContact C-N 3.26Å; K1009-D1011 PolarHBondContact O-N 2.86Å; D1011-K1013 PolarHBondContact O-N 3.39Å; D1011-L1016 WeakPolarHBondContact O-CD2 3.31Å |
| 1012 | H | 87.1 | Confident | 90.7 | Very high | 45 Ų | 45 | 58.7 Ų | 58.7 | 21% | 0.208 | 27% | 0.274 | C | S | . | . | trans | -72.5 | 54.5 | 175.5 | -73.4 | -102.3 | 0 | 0 | 0 | 113 | C1005 R1007 E1008 K1009 H1017 | C1005-H1012 PolarHBondContact O-CE1 3.45Å; C1005-H1012 VanDerWaalsContact O-CE1 3.27Å; C1005-H1012 PolarHBondContact O-NE2 3.02Å; R1007-H1012 PolarHBondContact O-NE2 3.5Å; E1008-H1012 PolarHBondContact O-CD2 3.48Å; K1009-H1012 PolarHBondContact O-N 3.02Å; H1012-H1017 AromaticContact ND1-NE2 3.59Å; H1012-H1017 PolarHBondContact O-CE1 2.91Å | ||
| 1013 | K | 88.5 | Confident | 90.8 | Very high | 150 Ų | 150 | 57.7 Ų | 57.7 | 65% | 0.652 | 27% | 0.268 | S | S | * | . | trans | -79.8 | 155.6 | 167 | -60.2 | 177.2 | -175.2 | 173.4 | 0 | 109.3 | D1011 Q1015 L1016 H1017 | D1011-K1013 PolarHBondContact O-N 3.39Å; K1013-Q1015 PolarHBondContact O-N 3.21Å; K1013-L1016 WeakPolarHBondContact O-CB 3.35Å; K1013-L1016 PolarHBondContact O-N 2.9Å; K1013-H1017 PolarHBondContact O-N 3.39Å | ||
| 1014 | R | 86.7 | Confident | 91 | Very high | 92 Ų | 92 | 54.3 Ų | 54.3 | 35% | 0.347 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -43.7 | -39 | 175.4 | 177.8 | -170.5 | 171.5 | 178.1 | 15.8 | 114.8 | H1017 S1018 A1682 S1683 D1684 | R1014-H1017 PolarHBondContact O-N 3.03Å; R1014-S1018 WeakPolarHBondContact O-CB 3.49Å; R1014-S1018 PolarHBondContact O-N 3.25Å; R1014-S1018 PolarHBondContact O-OG 3.19Å; R1014-A1682 PolarHBondContact NH2-O 3.49Å; R1014-S1683 VanDerWaalsContact NH2-CA 3.33Å; R1014-S1683 PolarHBondContact NH2-O 2.66Å; R1014-D1684 VanDerWaalsContact CD-OD1 3.29Å; R1014-D1684 WeakPolarHBondContact CD-OD1 3.33Å; R1014-D1684 IonicContact CZ-OD1 3.87Å; R1014-D1684 IonicContact CZ-OD2 2.7Å; R1014-D1684 IonicContact NE-OD1 3.78Å; R1014-D1684 PolarHBondContact NE-OD1 2.99Å; R1014-D1684 IonicContact NE-OD2 2.61Å; R1014-D1684 VanDerWaalsContact NH1-CG 3.3Å; R1014-D1684 IonicContact NH1-OD1 2.73Å; R1014-D1684 PolarHBondContact NH1-OD1 3.38Å; R1014-D1684 IonicContact NH1-OD2 3.92Å; R1014-D1684 PolarHBondContact NH1-OD2 3.17Å; R1014-D1684 VanDerWaalsContact NH2-CG 3.29Å; R1014-D1684 VanDerWaalsContact NH2-N 3.13Å; R1014-D1684 IonicContact NH2-OD1 3.61Å; R1014-D1684 PolarHBondContact NH2-OD1 2.86Å; R1014-D1684 IonicContact NH2-OD2 2.72Å; R1014-D1684 PolarHBondContact NH2-OD2 3.35Å |
| 1015 | Q | 89.2 | Confident | 91 | Very high | 114 Ų | 114 | 55.9 Ų | 55.9 | 53% | 0.533 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.7 | -38.1 | -179.5 | -164.7 | 173 | 19.7 | 0 | 0 | 111.9 | P964 K1013 S1018 I1019 | P964-Q1015 HydrophobicContact CB-CG 3.89Å; P964-Q1015 HydrophobicContact CG-CG 4.27Å; K1013-Q1015 PolarHBondContact O-N 3.21Å; Q1015-S1018 WeakPolarHBondContact O-CB 3.34Å; Q1015-S1018 PolarHBondContact O-N 2.95Å; Q1015-I1019 WeakPolarHBondContact O-CD1 3.05Å; Q1015-I1019 WeakPolarHBondContact O-CG1 3.48Å; Q1015-I1019 PolarHBondContact O-N 3.11Å; Q1015-I1019 VanDerWaalsContact O-N 3.09Å |
| 1016 | L | 93.4 | Very high | 91.1 | Very high | 10 Ų | 10 | 55.6 Ų | 55.6 | 5% | 0.052 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.1 | -48.4 | 172.5 | 179.7 | 61.4 | 0 | 0 | 0 | 111.2 | Q1004 R1007 D1011 K1013 S1018 I1019 I1020 | Q1004-L1016 HydrophobicContact CB-CD1 4.07Å; Q1004-L1016 HydrophobicContact CG-CD1 4.48Å; R1007-L1016 HydrophobicContact CB-CD2 4.14Å; R1007-L1016 HydrophobicContact CG-CD2 4.4Å; D1011-L1016 WeakPolarHBondContact O-CD2 3.31Å; K1013-L1016 WeakPolarHBondContact O-CB 3.35Å; K1013-L1016 PolarHBondContact O-N 2.9Å; L1016-S1018 PolarHBondContact O-N 3.43Å; L1016-I1019 WeakPolarHBondContact O-CB 3.17Å; L1016-I1019 PolarHBondContact O-N 3.4Å; L1016-I1019 VanDerWaalsContact O-N 3.13Å; L1016-I1020 HydrophobicContact CD1-CD1 4.43Å; L1016-I1020 HydrophobicContact CG-CD1 4.09Å; L1016-I1020 WeakPolarHBondContact O-CG1 3.46Å; L1016-I1020 PolarHBondContact O-N 3.06Å |
| 1017 | H | 93.4 | Very high | 91.3 | Very high | 25 Ų | 25 | 50.9 Ų | 50.9 | 12% | 0.116 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.8 | -35.5 | 176.5 | -55.1 | 144.4 | 0 | 0 | 0 | 111.9 | H1012 K1013 R1014 I1020 V1021 S1084 V1088 | H1012-H1017 AromaticContact ND1-NE2 3.59Å; H1012-H1017 PolarHBondContact O-CE1 2.91Å; K1013-H1017 PolarHBondContact O-N 3.39Å; R1014-H1017 PolarHBondContact O-N 3.03Å; H1017-I1020 PolarHBondContact O-N 3.21Å; H1017-V1021 VanDerWaalsContact O-CG2 3.28Å; H1017-V1021 WeakPolarHBondContact O-CG2 3.48Å; H1017-V1021 PolarHBondContact O-N 2.78Å; H1017-S1084 PolarHBondContact NE2-O 3.41Å; H1017-V1088 HydrophobicContact CB-CG2 4.18Å |
| 1018 | S | 93.5 | Very high | 91.4 | Very high | 10 Ų | 10 | 47.8 Ų | 47.8 | 7% | 0.07 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.1 | -36 | 177.3 | -56.5 | 0 | 0 | 0 | 0 | 112.7 | R1014 Q1015 L1016 A1022 | R1014-S1018 WeakPolarHBondContact O-CB 3.49Å; R1014-S1018 PolarHBondContact O-N 3.25Å; R1014-S1018 PolarHBondContact O-OG 3.19Å; Q1015-S1018 WeakPolarHBondContact O-CB 3.34Å; Q1015-S1018 PolarHBondContact O-N 2.95Å; L1016-S1018 PolarHBondContact O-N 3.43Å; S1018-A1022 WeakPolarHBondContact O-CB 3.42Å; S1018-A1022 PolarHBondContact O-N 3.32Å |
| 1019 | I | 95.6 | Very high | 91.6 | Very high | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.015 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.3 | -43.5 | 172 | -66 | 154.9 | 0 | 0 | 0 | 110.8 | P964 M967 L968 L971 F1000 Q1015 L1016 V1021 A1022 A1023 | P964-I1019 HydrophobicContact CB-CD1 3.98Å; P964-I1019 HydrophobicContact CG-CD1 4.48Å; M967-I1019 HydrophobicContact CB-CG2 4.25Å; M967-I1019 HydrophobicContact CE-CD1 3.78Å; M967-I1019 HydrophobicContact SD-CG2 4.23Å; L968-I1019 HydrophobicContact CD2-CB 4.47Å; L968-I1019 HydrophobicContact CD2-CG1 3.99Å; L968-I1019 HydrophobicContact CG-CG1 3.98Å; L971-I1019 HydrophobicContact CD1-CG2 4.22Å; F1000-I1019 HydrophobicContact CE1-CG2 3.76Å; F1000-I1019 HydrophobicContact CZ-CG2 3.63Å; Q1015-I1019 WeakPolarHBondContact O-CD1 3.05Å; Q1015-I1019 WeakPolarHBondContact O-CG1 3.48Å; Q1015-I1019 PolarHBondContact O-N 3.11Å; Q1015-I1019 VanDerWaalsContact O-N 3.09Å; L1016-I1019 WeakPolarHBondContact O-CB 3.17Å; L1016-I1019 PolarHBondContact O-N 3.4Å; L1016-I1019 VanDerWaalsContact O-N 3.13Å; I1019-V1021 PolarHBondContact O-N 3.24Å; I1019-A1022 PolarHBondContact O-N 3.03Å; I1019-A1023 PolarHBondContact O-N 3.08Å |
| 1020 | I | 96.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62 | -44.1 | 177.5 | -64.3 | 162.9 | 0 | 0 | 0 | 110.6 | I1001 Q1004 L1016 H1017 A1022 A1023 Y1024 V1088 | I1001-I1020 HydrophobicContact CG2-CG2 4.41Å; Q1004-I1020 HydrophobicContact CB-CD1 4.06Å; Q1004-I1020 HydrophobicContact CB-CG1 3.69Å; L1016-I1020 HydrophobicContact CD1-CD1 4.43Å; L1016-I1020 HydrophobicContact CG-CD1 4.09Å; L1016-I1020 WeakPolarHBondContact O-CG1 3.46Å; L1016-I1020 PolarHBondContact O-N 3.06Å; H1017-I1020 PolarHBondContact O-N 3.21Å; I1020-A1022 PolarHBondContact O-N 2.91Å; I1020-A1023 WeakPolarHBondContact O-CB 3.3Å; I1020-A1023 PolarHBondContact O-N 3.39Å; I1020-A1023 VanDerWaalsContact O-N 3.16Å; I1020-Y1024 HydrophobicContact CG2-CD2 3.97Å; I1020-Y1024 HydrophobicContact CG2-CE2 3.72Å; I1020-Y1024 VanDerWaalsContact O-CD2 3.31Å; I1020-Y1024 WeakPolarHBondContact O-CD2 3.48Å; I1020-Y1024 PolarHBondContact O-N 2.89Å; I1020-V1088 HydrophobicContact CB-CG2 3.95Å; I1020-V1088 HydrophobicContact CD1-CG2 4.49Å; I1020-V1088 HydrophobicContact CG2-CB 4.4Å; I1020-V1088 HydrophobicContact CG2-CG1 3.79Å; I1020-V1088 HydrophobicContact CG2-CG2 3.68Å |
| 1021 | V | 95.4 | Very high | 92.1 | Very high | 4 Ų | 4 | 28.5 Ų | 28.5 | 2% | 0.024 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.9 | -43.9 | 175 | 170.6 | 0 | 0 | 0 | 0 | 111.5 | H1017 I1019 A1023 Y1024 Y1025 R1087 V1088 A1091 L1681 | H1017-V1021 VanDerWaalsContact O-CG2 3.28Å; H1017-V1021 WeakPolarHBondContact O-CG2 3.48Å; H1017-V1021 PolarHBondContact O-N 2.78Å; I1019-V1021 PolarHBondContact O-N 3.24Å; V1021-A1023 VanDerWaalsContact C-N 3.28Å; V1021-A1023 PolarHBondContact O-N 2.74Å; V1021-Y1024 PolarHBondContact O-N 2.65Å; V1021-Y1025 HydrophobicContact CG1-CD2 4.14Å; V1021-Y1025 HydrophobicContact CG1-CE1 4.2Å; V1021-Y1025 HydrophobicContact CG1-CE2 3.48Å; V1021-Y1025 VanDerWaalsContact CG1-CE2 3.48Å; V1021-Y1025 PolarHBondContact O-N 3.08Å; V1021-Y1025 VanDerWaalsContact O-N 3.09Å; V1021-R1087 HydrophobicContact CG2-CB 4.14Å; V1021-R1087 VanDerWaalsContact CG2-O 3.31Å; V1021-R1087 WeakPolarHBondContact CG2-O 3.47Å; V1021-V1088 HydrophobicContact CG2-CG2 4.22Å; V1021-A1091 HydrophobicContact CB-CB 4.26Å; V1021-A1091 HydrophobicContact CG1-CB 3.99Å; V1021-A1091 HydrophobicContact CG2-CB 3.93Å; V1021-L1681 HydrophobicContact CB-CD2 3.96Å; V1021-L1681 HydrophobicContact CG1-CD2 3.65Å |
| 1022 | A | 95.4 | Very high | 92 | Very high | 15 Ų | 15 | 26.8 Ų | 26.8 | 12% | 0.124 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.3 | -35.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L968 L971 S1018 I1019 I1020 Y1025 C1026 L1681 | L968-A1022 HydrophobicContact CD2-CB 3.63Å; L971-A1022 HydrophobicContact CD1-CB 4.05Å; S1018-A1022 WeakPolarHBondContact O-CB 3.42Å; S1018-A1022 PolarHBondContact O-N 3.32Å; I1019-A1022 PolarHBondContact O-N 3.03Å; I1020-A1022 PolarHBondContact O-N 2.91Å; A1022-Y1025 PolarHBondContact O-N 3.41Å; A1022-C1026 PolarHBondContact O-N 3.43Å; A1022-L1681 HydrophobicContact CB-CD1 4.1Å |
| 1023 | A | 97.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -69 | -37.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | L971 F1000 I1001 I1019 I1020 V1021 Y1025 C1026 L1027 | L971-A1023 HydrophobicContact CD1-CB 4.07Å; L971-A1023 HydrophobicContact CD2-CB 4.03Å; F1000-A1023 HydrophobicContact CD1-CB 3.98Å; F1000-A1023 HydrophobicContact CE1-CB 4.06Å; I1001-A1023 HydrophobicContact CD1-CB 4Å; I1001-A1023 HydrophobicContact CG1-CB 3.57Å; I1019-A1023 PolarHBondContact O-N 3.08Å; I1020-A1023 WeakPolarHBondContact O-CB 3.3Å; I1020-A1023 PolarHBondContact O-N 3.39Å; I1020-A1023 VanDerWaalsContact O-N 3.16Å; V1021-A1023 VanDerWaalsContact C-N 3.28Å; V1021-A1023 PolarHBondContact O-N 2.74Å; A1023-Y1025 VanDerWaalsContact C-N 3.34Å; A1023-C1026 PolarHBondContact O-N 3.31Å; A1023-L1027 WeakPolarHBondContact O-CB 3.37Å; A1023-L1027 PolarHBondContact O-N 2.9Å |
| 1024 | Y | 97.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.6 | -35.6 | 170.8 | -82.8 | -70.9 | 0 | 0 | 0 | 113 | I1001 I1020 V1021 S1028 T1051 I1052 G1055 V1088 A1091 A1092 C1095 | I1001-Y1024 HydrophobicContact CD1-CD1 4.2Å; I1001-Y1024 HydrophobicContact CD1-CD2 4.46Å; I1001-Y1024 HydrophobicContact CD1-CE1 4.23Å; I1001-Y1024 HydrophobicContact CD1-CE2 4.48Å; I1001-Y1024 HydrophobicContact CD1-CG 4.31Å; I1001-Y1024 HydrophobicContact CG2-CE2 3.81Å; I1020-Y1024 HydrophobicContact CG2-CD2 3.97Å; I1020-Y1024 HydrophobicContact CG2-CE2 3.72Å; I1020-Y1024 VanDerWaalsContact O-CD2 3.31Å; I1020-Y1024 WeakPolarHBondContact O-CD2 3.48Å; I1020-Y1024 PolarHBondContact O-N 2.89Å; V1021-Y1024 PolarHBondContact O-N 2.65Å; Y1024-S1028 WeakPolarHBondContact O-CB 3.38Å; Y1024-S1028 PolarHBondContact O-N 3.06Å; Y1024-S1028 PolarHBondContact O-OG 3.44Å; Y1024-T1051 PolarHBondContact OH-O 3.19Å; Y1024-I1052 HydrophobicContact CE1-CG1 4.4Å; Y1024-G1055 VanDerWaalsContact OH-CA 3.31Å; Y1024-G1055 WeakPolarHBondContact OH-CA 3.3Å; Y1024-G1055 PolarHBondContact OH-N 3.3Å; Y1024-V1088 HydrophobicContact CE2-CG1 4.08Å; Y1024-A1091 HydrophobicContact CD2-CB 4.3Å; Y1024-A1091 HydrophobicContact CG-CB 4.38Å; Y1024-A1092 HydrophobicContact CD1-CB 4.39Å; Y1024-A1092 HydrophobicContact CE1-CB 3.88Å; Y1024-A1092 HydrophobicContact CE2-CB 4.32Å; Y1024-C1095 HydrophobicContact CD1-CB 3.96Å |
| 1025 | Y | 93.6 | Very high | 91.2 | Very high | 37 Ų | 37 | 19.5 Ų | 19.5 | 15% | 0.145 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -68.3 | -41.7 | 173.6 | -63.9 | -20.6 | 0 | 0 | 0 | 111.9 | V1021 A1022 A1023 S1028 S1029 A1091 I1526 | V1021-Y1025 HydrophobicContact CG1-CD2 4.14Å; V1021-Y1025 HydrophobicContact CG1-CE1 4.2Å; V1021-Y1025 HydrophobicContact CG1-CE2 3.48Å; V1021-Y1025 VanDerWaalsContact CG1-CE2 3.48Å; V1021-Y1025 PolarHBondContact O-N 3.08Å; V1021-Y1025 VanDerWaalsContact O-N 3.09Å; A1022-Y1025 PolarHBondContact O-N 3.41Å; A1023-Y1025 VanDerWaalsContact C-N 3.34Å; Y1025-S1028 PolarHBondContact O-N 2.87Å; Y1025-S1029 PolarHBondContact O-N 3.32Å; Y1025-S1029 VanDerWaalsContact O-N 3.08Å; Y1025-A1091 HydrophobicContact CE1-CB 4.34Å; Y1025-I1526 HydrophobicContact CD1-CD1 3.9Å; Y1025-I1526 HydrophobicContact CD1-CG2 4.36Å; Y1025-I1526 HydrophobicContact CE1-CG2 4.47Å; Y1025-I1526 HydrophobicContact CG-CD1 3.91Å |
| 1026 | C | 95 | Very high | 90.7 | Very high | 2 Ų | 2 | 20.6 Ų | 20.6 | 1% | 0.014 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.7 | -48.6 | 172.1 | -173.7 | 0 | 0 | 0 | 0 | 111.2 | L971 A1022 A1023 S1028 S1029 W1030 | L971-C1026 HydrophobicContact CD2-CB 4.15Å; A1022-C1026 PolarHBondContact O-N 3.43Å; A1023-C1026 PolarHBondContact O-N 3.31Å; C1026-S1028 VanDerWaalsContact C-N 3.32Å; C1026-S1028 PolarHBondContact O-N 3.43Å; C1026-S1029 VanDerWaalsContact O-CB 3.26Å; C1026-S1029 WeakPolarHBondContact O-CB 3.27Å; C1026-S1029 PolarHBondContact O-N 2.83Å; C1026-S1029 VanDerWaalsContact O-N 3.07Å; C1026-W1030 PolarHBondContact O-N 2.83Å |
| 1027 | L | 95 | Very high | 90.1 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -56.2 | -43.9 | 175.6 | -179.8 | 58 | 0 | 0 | 0 | 112.4 | V994 I997 I1001 A1023 S1029 W1030 I1031 | V994-L1027 HydrophobicContact CG1-CD1 3.8Å; I997-L1027 HydrophobicContact CG2-CB 3.95Å; I1001-L1027 HydrophobicContact CD1-CD2 4.21Å; A1023-L1027 WeakPolarHBondContact O-CB 3.37Å; A1023-L1027 PolarHBondContact O-N 2.9Å; L1027-S1029 VanDerWaalsContact C-N 3.32Å; L1027-S1029 PolarHBondContact O-N 2.65Å; L1027-W1030 PolarHBondContact O-N 3.18Å; L1027-I1031 HydrophobicContact CD1-CD1 4.03Å; L1027-I1031 HydrophobicContact CD1-CG1 4.32Å; L1027-I1031 HydrophobicContact CG-CD1 3.84Å; L1027-I1031 WeakPolarHBondContact O-CG1 3.29Å; L1027-I1031 PolarHBondContact O-N 3.45Å |
| 1028 | S | 91.1 | Very high | 89.6 | Confident | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.007 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.4 | -39.2 | 175.8 | -66.7 | 0 | 0 | 0 | 0 | 112.7 | Y1024 Y1025 C1026 I1031 V1032 N1098 | Y1024-S1028 WeakPolarHBondContact O-CB 3.38Å; Y1024-S1028 PolarHBondContact O-N 3.06Å; Y1024-S1028 PolarHBondContact O-OG 3.44Å; Y1025-S1028 PolarHBondContact O-N 2.87Å; C1026-S1028 VanDerWaalsContact C-N 3.32Å; C1026-S1028 PolarHBondContact O-N 3.43Å; S1028-I1031 PolarHBondContact O-N 3.49Å; S1028-V1032 WeakPolarHBondContact O-CG2 3.42Å; S1028-V1032 PolarHBondContact O-N 3.41Å; S1028-V1032 VanDerWaalsContact O-N 3.09Å; S1028-N1098 PolarHBondContact OG-ND2 3.25Å |
| 1029 | S | 88.6 | Confident | 88.9 | Confident | 22 Ų | 22 | 24.1 Ų | 24.1 | 15% | 0.154 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58.8 | -48.8 | 176.2 | -162 | 0 | 0 | 0 | 0 | 111.2 | S975 S978 Y1025 C1026 L1027 Q1033 | S975-S1029 PolarHBondContact OG-OG 2.91Å; S978-S1029 PolarHBondContact OG-OG 2.77Å; Y1025-S1029 PolarHBondContact O-N 3.32Å; Y1025-S1029 VanDerWaalsContact O-N 3.08Å; C1026-S1029 VanDerWaalsContact O-CB 3.26Å; C1026-S1029 WeakPolarHBondContact O-CB 3.27Å; C1026-S1029 PolarHBondContact O-N 2.83Å; C1026-S1029 VanDerWaalsContact O-N 3.07Å; L1027-S1029 VanDerWaalsContact C-N 3.32Å; L1027-S1029 PolarHBondContact O-N 2.65Å; S1029-Q1033 VanDerWaalsContact O-CB 3.23Å; S1029-Q1033 WeakPolarHBondContact O-CB 3.37Å; S1029-Q1033 PolarHBondContact O-N 3.19Å |
| 1030 | W | 90.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.6 | -40.5 | 178.9 | -77.7 | 76.2 | 0 | 0 | 0 | 112.8 | F945 T949 I974 L977 Y990 T993 V994 I997 C1026 L1027 H1034 L1038 | F945-W1030 HydrophobicContact CE1-CH2 4.37Å; F945-W1030 AromaticContact CZ-CH2 3.71Å; F945-W1030 HydrophobicContact CZ-CH2 3.71Å; F945-W1030 HydrophobicContact CZ-CZ3 4.29Å; T949-W1030 HydrophobicContact CG2-CH2 3.74Å; T949-W1030 HydrophobicContact CG2-CZ2 4.09Å; I974-W1030 HydrophobicContact CG2-CZ2 4.26Å; I974-W1030 PolarHBondContact O-NE1 3.41Å; L977-W1030 HydrophobicContact CB-CZ2 4.13Å; Y990-W1030 AromaticContact CD1-CE3 3.78Å; Y990-W1030 HydrophobicContact CD1-CE3 3.78Å; Y990-W1030 HydrophobicContact CD1-CH2 4.48Å; Y990-W1030 AromaticContact CD1-CZ3 3.37Å; Y990-W1030 HydrophobicContact CD1-CZ3 3.37Å; Y990-W1030 HydrophobicContact CE1-CE3 4.36Å; Y990-W1030 AromaticContact CE1-CZ3 3.73Å; Y990-W1030 HydrophobicContact CE1-CZ3 3.73Å; Y990-W1030 HydrophobicContact CG-CZ3 4.16Å; T993-W1030 HydrophobicContact CG2-CD2 3.96Å; T993-W1030 HydrophobicContact CG2-CE3 3.93Å; T993-W1030 HydrophobicContact CG2-CH2 3.67Å; T993-W1030 HydrophobicContact CG2-CZ2 3.66Å; T993-W1030 HydrophobicContact CG2-CZ3 3.78Å; V994-W1030 HydrophobicContact CG2-CB 4.17Å; I997-W1030 HydrophobicContact CD1-CG 4.5Å; C1026-W1030 PolarHBondContact O-N 2.83Å; L1027-W1030 PolarHBondContact O-N 3.18Å; W1030-H1034 AromaticContact CE3-CD2 3.91Å; W1030-H1034 PolarHBondContact O-CD2 2.93Å; W1030-H1034 PolarHBondContact O-N 2.82Å; W1030-H1034 VanDerWaalsContact O-N 3.14Å; W1030-L1038 VanDerWaalsContact O-CD1 3.28Å; W1030-L1038 WeakPolarHBondContact O-CD1 3.31Å |
| 1031 | I | 87.2 | Confident | 87.7 | Confident | 3 Ų | 3 | 29.3 Ų | 29.3 | 2% | 0.015 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.1 | -48.8 | 178 | -70.5 | 166 | 0 | 0 | 0 | 111.4 | L1027 S1028 V1035 I1048 L1099 | L1027-I1031 HydrophobicContact CD1-CD1 4.03Å; L1027-I1031 HydrophobicContact CD1-CG1 4.32Å; L1027-I1031 HydrophobicContact CG-CD1 3.84Å; L1027-I1031 WeakPolarHBondContact O-CG1 3.29Å; L1027-I1031 PolarHBondContact O-N 3.45Å; S1028-I1031 PolarHBondContact O-N 3.49Å; I1031-V1035 WeakPolarHBondContact O-CA 3.45Å; I1031-V1035 PolarHBondContact O-N 2.88Å; I1031-V1035 VanDerWaalsContact O-N 3.15Å; I1031-I1048 HydrophobicContact CD1-CD1 4.21Å; I1031-I1048 HydrophobicContact CD1-CG2 3.89Å; I1031-I1048 HydrophobicContact CG1-CD1 4.17Å; I1031-L1099 HydrophobicContact CD1-CD1 4.4Å; I1031-L1099 HydrophobicContact CG2-CD1 3.85Å |
| 1032 | V | 81.9 | Confident | 87.4 | Confident | 29 Ų | 29 | 39.6 Ų | 39.6 | 18% | 0.176 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -73.1 | -40.7 | -175.3 | 174.9 | 0 | 0 | 0 | 0 | 111.5 | S1028 H1034 N1098 V1102 A1525 | S1028-V1032 WeakPolarHBondContact O-CG2 3.42Å; S1028-V1032 PolarHBondContact O-N 3.41Å; S1028-V1032 VanDerWaalsContact O-N 3.09Å; V1032-H1034 PolarHBondContact O-N 3.24Å; V1032-N1098 HydrophobicContact CG2-CB 4.38Å; V1032-V1102 HydrophobicContact CG2-CG2 4.1Å; V1032-A1525 HydrophobicContact CB-CB 4.06Å; V1032-A1525 HydrophobicContact CG1-CB 4.21Å; V1032-A1525 HydrophobicContact CG2-CB 3.71Å |
| 1033 | Q | 80.7 | Confident | 87 | Confident | 99 Ų | 99 | 44.4 Ų | 44.4 | 46% | 0.463 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -73.5 | -24.8 | -177 | -165.7 | 61.9 | 18.1 | 0 | 0 | 113.4 | S978 S1029 | S978-Q1033 WeakPolarHBondContact O-CG 3.35Å; S1029-Q1033 VanDerWaalsContact O-CB 3.23Å; S1029-Q1033 WeakPolarHBondContact O-CB 3.37Å; S1029-Q1033 PolarHBondContact O-N 3.19Å |
| 1034 | H | 83.9 | Confident | 86.6 | Confident | 23 Ų | 23 | 44.4 Ų | 44.4 | 11% | 0.106 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.6 | 29.6 | -176.1 | -51.6 | -61.1 | 0 | 0 | 0 | 114 | S978 Y990 W1030 V1032 N1036 L1037 L1038 | S978-H1034 PolarHBondContact O-CE1 3.22Å; S978-H1034 VanDerWaalsContact O-CE1 3.23Å; S978-H1034 PolarHBondContact O-NE2 3.39Å; Y990-H1034 HydrophobicContact CD1-CB 4.17Å; Y990-H1034 AromaticContact CD1-CD2 3.6Å; Y990-H1034 AromaticContact CD1-CG 3.63Å; Y990-H1034 AromaticContact CD1-NE2 3.98Å; Y990-H1034 AromaticContact CE1-CD2 3.61Å; Y990-H1034 AromaticContact CE1-CE1 3.45Å; Y990-H1034 VanDerWaalsContact CE1-CE1 3.45Å; Y990-H1034 WeakPolarHBondContact CE1-CE1 3.4Å; Y990-H1034 AromaticContact CE1-CG 3.65Å; Y990-H1034 AromaticContact CE1-ND1 3.55Å; Y990-H1034 AromaticContact CE1-NE2 3.48Å; Y990-H1034 WeakPolarHBondContact CE1-NE2 3.47Å; W1030-H1034 AromaticContact CE3-CD2 3.91Å; W1030-H1034 PolarHBondContact O-CD2 2.93Å; W1030-H1034 PolarHBondContact O-N 2.82Å; W1030-H1034 VanDerWaalsContact O-N 3.14Å; V1032-H1034 PolarHBondContact O-N 3.24Å; H1034-N1036 VanDerWaalsContact C-N 3.29Å; H1034-N1036 PolarHBondContact O-N 3.18Å; H1034-N1036 VanDerWaalsContact O-N 3.14Å; H1034-L1037 HydrophobicContact CB-CD1 4.31Å; H1034-L1037 PolarHBondContact O-N 3.22Å; H1034-L1038 HydrophobicContact CB-CD1 4.08Å; H1034-L1038 HydrophobicContact CB-CG 4.31Å; H1034-L1038 PolarHBondContact O-N 2.88Å; H1034-L1038 VanDerWaalsContact O-N 3.16Å |
| 1035 | V | 80.8 | Confident | 86.3 | Confident | 12 Ų | 12 | 46 Ų | 46 | 7% | 0.073 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -47.3 | -46.5 | -175.4 | 62.6 | 0 | 0 | 0 | 0 | 113.8 | I1031 L1037 L1038 L1039 V1102 | I1031-V1035 WeakPolarHBondContact O-CA 3.45Å; I1031-V1035 PolarHBondContact O-N 2.88Å; I1031-V1035 VanDerWaalsContact O-N 3.15Å; V1035-L1037 PolarHBondContact O-N 3.37Å; V1035-L1037 VanDerWaalsContact O-N 3.11Å; V1035-L1038 PolarHBondContact O-N 3.44Å; V1035-L1039 HydrophobicContact CG2-CD1 3.38Å; V1035-L1039 HydrophobicContact CG2-CG 3.69Å; V1035-L1039 WeakPolarHBondContact O-CB 3.49Å; V1035-L1039 PolarHBondContact O-N 3.04Å; V1035-V1102 HydrophobicContact CB-CB 4.32Å; V1035-V1102 HydrophobicContact CB-CG1 3.76Å; V1035-V1102 HydrophobicContact CG1-CG1 3.87Å; V1035-V1102 HydrophobicContact CG2-CB 3.65Å; V1035-V1102 HydrophobicContact CG2-CG1 3.48Å; V1035-V1102 VanDerWaalsContact CG2-CG1 3.48Å |
| 1036 | N | 79 | Confident | 86.1 | Confident | 138 Ų | 138 | 51.1 Ų | 51.1 | 74% | 0.738 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -63 | -20.6 | -175.6 | -66.6 | -18.8 | 0 | 0 | 0 | 113.8 | H1034 S1040 | H1034-N1036 VanDerWaalsContact C-N 3.29Å; H1034-N1036 PolarHBondContact O-N 3.18Å; H1034-N1036 VanDerWaalsContact O-N 3.14Å; N1036-S1040 PolarHBondContact O-OG 2.87Å |
| 1037 | L | 81.5 | Confident | 86 | Confident | 55 Ų | 55 | 52.8 Ų | 52.8 | 29% | 0.288 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -100.5 | -33.7 | -178.1 | -60.9 | 161 | 0 | 0 | 0 | 111.6 | V985 P987 H1034 V1035 S1040 | V985-L1037 HydrophobicContact CG1-CD1 3.64Å; V985-L1037 HydrophobicContact CG1-CD2 4.47Å; P987-L1037 HydrophobicContact CG-CD2 4.44Å; H1034-L1037 HydrophobicContact CB-CD1 4.31Å; H1034-L1037 PolarHBondContact O-N 3.22Å; V1035-L1037 PolarHBondContact O-N 3.37Å; V1035-L1037 VanDerWaalsContact O-N 3.11Å; L1037-S1040 PolarHBondContact O-OG 3.12Å |
| 1038 | L | 82.8 | Confident | 86 | Confident | 5 Ų | 5 | 52.9 Ų | 52.9 | 3% | 0.026 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -85.7 | -40.3 | -175.6 | -64.8 | 174.2 | 0 | 0 | 0 | 112.3 | V994 W1030 H1034 V1035 S1040 D1041 | V994-L1038 HydrophobicContact CB-CD2 4.47Å; V994-L1038 HydrophobicContact CG2-CD1 3.99Å; V994-L1038 HydrophobicContact CG2-CD2 3.84Å; W1030-L1038 VanDerWaalsContact O-CD1 3.28Å; W1030-L1038 WeakPolarHBondContact O-CD1 3.31Å; H1034-L1038 HydrophobicContact CB-CD1 4.08Å; H1034-L1038 HydrophobicContact CB-CG 4.31Å; H1034-L1038 PolarHBondContact O-N 2.88Å; H1034-L1038 VanDerWaalsContact O-N 3.16Å; V1035-L1038 PolarHBondContact O-N 3.44Å; L1038-S1040 VanDerWaalsContact C-N 3.29Å; L1038-S1040 PolarHBondContact O-N 3.33Å; L1038-D1041 PolarHBondContact O-N 3.23Å |
| 1039 | L | 78.6 | Confident | 86 | Confident | 59 Ų | 59 | 55.8 Ų | 55.8 | 31% | 0.309 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -20.5 | 178.3 | -65.4 | -167.9 | 0 | 0 | 0 | 113.4 | V1035 D1041 V1045 L1099 A1103 | V1035-L1039 HydrophobicContact CG2-CD1 3.38Å; V1035-L1039 HydrophobicContact CG2-CG 3.69Å; V1035-L1039 WeakPolarHBondContact O-CB 3.49Å; V1035-L1039 PolarHBondContact O-N 3.04Å; L1039-D1041 VanDerWaalsContact C-N 3.3Å; L1039-V1045 HydrophobicContact CD2-CG2 3.94Å; L1039-L1099 HydrophobicContact CD2-CD1 3.75Å; L1039-A1103 HydrophobicContact CD1-CB 4.19Å |
| 1040 | S | 81.2 | Confident | 86.1 | Confident | 95 Ų | 95 | 55.9 Ų | 55.9 | 66% | 0.664 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -20.2 | 171.1 | 48.7 | 0 | 0 | 0 | 0 | 113.7 | N1036 L1037 L1038 | N1036-S1040 PolarHBondContact O-OG 2.87Å; L1037-S1040 PolarHBondContact O-OG 3.12Å; L1038-S1040 VanDerWaalsContact C-N 3.29Å; L1038-S1040 PolarHBondContact O-N 3.33Å |
| 1041 | D | 86.2 | Confident | 86.4 | Confident | 17 Ų | 17 | 55.9 Ų | 55.9 | 9% | 0.091 | 27% | 0.274 | C | S | . | . | trans | -96.4 | 102 | 176.8 | 179.8 | 24.5 | 0 | 0 | 0 | 112 | R991 R995 L1038 L1039 E1043 C1044 V1045 | R991-D1041 VanDerWaalsContact CD-OD2 3.27Å; R991-D1041 WeakPolarHBondContact CD-OD2 3.48Å; R991-D1041 WeakPolarHBondContact CG-OD2 3.35Å; R991-D1041 IonicContact CZ-OD1 3.07Å; R991-D1041 IonicContact CZ-OD2 3.66Å; R991-D1041 IonicContact NE-OD2 3.19Å; R991-D1041 PolarHBondContact NE-OD2 3.03Å; R991-D1041 IonicContact NH1-OD1 3.23Å; R991-D1041 PolarHBondContact NH1-OD1 3Å; R991-D1041 IonicContact NH1-OD2 2.62Å; R991-D1041 PolarHBondContact NH1-OD2 3.22Å; R991-D1041 IonicContact NH2-OD2 3.33Å; R995-D1041 IonicContact NH2-OD2 3.54Å; R995-D1041 PolarHBondContact NH2-OD2 3.43Å; L1038-D1041 PolarHBondContact O-N 3.23Å; L1039-D1041 VanDerWaalsContact C-N 3.3Å; D1041-E1043 PolarHBondContact O-N 2.67Å; D1041-E1043 PolarHBondContact OD1-N 3.21Å; D1041-E1043 VanDerWaalsContact OD1-N 3.13Å; D1041-C1044 HydrophobicContact CB-CB 3.83Å; D1041-C1044 WeakPolarHBondContact O-CB 3.45Å; D1041-C1044 PolarHBondContact O-N 3.05Å; D1041-C1044 VanDerWaalsContact OD2-CB 3.25Å; D1041-C1044 WeakPolarHBondContact OD2-CB 3.48Å; D1041-C1044 PolarHBondContact OD2-N 2.87Å; D1041-V1045 PolarHBondContact O-N 3.07Å | ||
| 1042 | R | 87.8 | Confident | 86.7 | Confident | 220 Ų | 220 | 56 Ų | 56 | 83% | 0.83 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -52.3 | -37.9 | 176.7 | -173.8 | 179.8 | 178.8 | -172.7 | 0.2 | 113.1 | W1046 | R1042-W1046 WeakPolarHBondContact O-CB 3.32Å; R1042-W1046 PolarHBondContact O-N 3.46Å |
| 1043 | E | 87.7 | Confident | 87.1 | Confident | 115 Ų | 115 | 55.8 Ų | 55.8 | 54% | 0.537 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -71.7 | -37.1 | 179.4 | -67.3 | -166.9 | 148.1 | 0 | 0 | 112.3 | R995 D1041 T1047 | R995-E1043 IonicContact CZ-OE2 3.1Å; R995-E1043 IonicContact NH1-OE2 3.8Å; R995-E1043 IonicContact NH2-OE2 3.5Å; R995-E1043 PolarHBondContact NH2-OE2 2.9Å; D1041-E1043 PolarHBondContact O-N 2.67Å; D1041-E1043 PolarHBondContact OD1-N 3.21Å; D1041-E1043 VanDerWaalsContact OD1-N 3.13Å; E1043-T1047 WeakPolarHBondContact O-CB 3.21Å; E1043-T1047 PolarHBondContact O-N 2.96Å; E1043-T1047 PolarHBondContact O-OG1 2.86Å |
| 1044 | C | 89.6 | Confident | 87.6 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.7 | -48.8 | 175.5 | -166.6 | 0 | 0 | 0 | 0 | 110.4 | V994 D1041 W1046 T1047 I1048 | V994-C1044 VanDerWaalsContact CG1-SG 3.56Å; D1041-C1044 HydrophobicContact CB-CB 3.83Å; D1041-C1044 WeakPolarHBondContact O-CB 3.45Å; D1041-C1044 PolarHBondContact O-N 3.05Å; D1041-C1044 VanDerWaalsContact OD2-CB 3.25Å; D1041-C1044 WeakPolarHBondContact OD2-CB 3.48Å; D1041-C1044 PolarHBondContact OD2-N 2.87Å; C1044-W1046 VanDerWaalsContact C-N 3.32Å; C1044-W1046 PolarHBondContact O-N 3.48Å; C1044-T1047 PolarHBondContact O-N 2.78Å; C1044-T1047 VanDerWaalsContact O-N 3.13Å; C1044-I1048 VanDerWaalsContact O-CG1 3.28Å; C1044-I1048 WeakPolarHBondContact O-CG1 3.39Å; C1044-I1048 PolarHBondContact O-N 3.35Å |
| 1045 | V | 90 | Very high | 88 | Confident | 33 Ų | 33 | 50.3 Ų | 50.3 | 20% | 0.2 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -57.3 | -44.7 | 176.1 | 177.4 | 0 | 0 | 0 | 0 | 111.4 | L1039 D1041 T1047 I1048 L1049 | L1039-V1045 HydrophobicContact CD2-CG2 3.94Å; D1041-V1045 PolarHBondContact O-N 3.07Å; V1045-T1047 PolarHBondContact O-N 3.45Å; V1045-I1048 PolarHBondContact O-N 3.14Å; V1045-L1049 HydrophobicContact CG1-CD1 3.96Å; V1045-L1049 HydrophobicContact CG1-CG 4.45Å; V1045-L1049 WeakPolarHBondContact O-CG 3.26Å; V1045-L1049 PolarHBondContact O-N 2.88Å |
| 1046 | W | 90.3 | Very high | 88.5 | Confident | 146 Ų | 146 | 50.7 Ų | 50.7 | 55% | 0.553 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -59.3 | -45.9 | 175.1 | -173.9 | -85.3 | 0 | 0 | 0 | 112.4 | R1042 C1044 I1048 L1049 E1050 | R1042-W1046 WeakPolarHBondContact O-CB 3.32Å; R1042-W1046 PolarHBondContact O-N 3.46Å; C1044-W1046 VanDerWaalsContact C-N 3.32Å; C1044-W1046 PolarHBondContact O-N 3.48Å; W1046-I1048 VanDerWaalsContact C-N 3.34Å; W1046-I1048 PolarHBondContact O-N 3.36Å; W1046-L1049 PolarHBondContact O-N 3.42Å; W1046-E1050 PolarHBondContact NE1-OE1 3.35Å; W1046-E1050 PolarHBondContact O-N 2.83Å |
| 1047 | T | 92.6 | Very high | 88.9 | Confident | 37 Ų | 37 | 44.2 Ų | 44.2 | 23% | 0.227 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.4 | -39.3 | 179.5 | -53.1 | 0 | 0 | 0 | 0 | 112.1 | R995 C998 E1043 C1044 V1045 T1051 | R995-T1047 HydrophobicContact CG-CG2 4.33Å; C998-T1047 HydrophobicContact CB-CG2 3.93Å; E1043-T1047 WeakPolarHBondContact O-CB 3.21Å; E1043-T1047 PolarHBondContact O-N 2.96Å; E1043-T1047 PolarHBondContact O-OG1 2.86Å; C1044-T1047 PolarHBondContact O-N 2.78Å; C1044-T1047 VanDerWaalsContact O-N 3.13Å; V1045-T1047 PolarHBondContact O-N 3.45Å; T1047-T1051 WeakPolarHBondContact O-CB 3.46Å; T1047-T1051 PolarHBondContact O-N 3.35Å; T1047-T1051 PolarHBondContact O-OG1 3.27Å |
| 1048 | I | 93.6 | Very high | 89 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63 | -49.6 | 174.3 | -65.9 | 162 | 0 | 0 | 0 | 109.8 | V994 I1031 C1044 V1045 W1046 T1051 I1052 L1099 | V994-I1048 HydrophobicContact CG1-CD1 3.93Å; V994-I1048 HydrophobicContact CG1-CG1 3.73Å; I1031-I1048 HydrophobicContact CD1-CD1 4.21Å; I1031-I1048 HydrophobicContact CD1-CG2 3.89Å; I1031-I1048 HydrophobicContact CG1-CD1 4.17Å; C1044-I1048 VanDerWaalsContact O-CG1 3.28Å; C1044-I1048 WeakPolarHBondContact O-CG1 3.39Å; C1044-I1048 PolarHBondContact O-N 3.35Å; V1045-I1048 PolarHBondContact O-N 3.14Å; W1046-I1048 VanDerWaalsContact C-N 3.34Å; W1046-I1048 PolarHBondContact O-N 3.36Å; I1048-T1051 WeakPolarHBondContact O-CB 3.4Å; I1048-T1051 PolarHBondContact O-N 3.38Å; I1048-T1051 VanDerWaalsContact O-N 3.1Å; I1048-I1052 HydrophobicContact CG2-CD1 3.69Å; I1048-I1052 HydrophobicContact CG2-CG1 4.34Å; I1048-I1052 WeakPolarHBondContact O-CG1 3.25Å; I1048-I1052 PolarHBondContact O-N 3.16Å; I1048-L1099 HydrophobicContact CG2-CD2 3.95Å |
| 1049 | L | 92.5 | Very high | 88.9 | Confident | 63 Ų | 63 | 45 Ų | 45 | 33% | 0.33 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.7 | -42.1 | -178.6 | -72.6 | 172.2 | 0 | 0 | 0 | 112.9 | V1045 W1046 T1051 I1052 E1053 L1096 L1099 M1100 | V1045-L1049 HydrophobicContact CG1-CD1 3.96Å; V1045-L1049 HydrophobicContact CG1-CG 4.45Å; V1045-L1049 WeakPolarHBondContact O-CG 3.26Å; V1045-L1049 PolarHBondContact O-N 2.88Å; W1046-L1049 PolarHBondContact O-N 3.42Å; L1049-T1051 PolarHBondContact O-N 2.74Å; L1049-I1052 PolarHBondContact O-N 3.49Å; L1049-E1053 WeakPolarHBondContact O-CB 3.4Å; L1049-E1053 PolarHBondContact O-N 3.35Å; L1049-L1096 HydrophobicContact CD2-CD1 4.12Å; L1049-L1099 HydrophobicContact CD2-CD2 3.76Å; L1049-L1099 HydrophobicContact CG-CD2 4.26Å; L1049-M1100 HydrophobicContact CD2-CE 4.45Å |
| 1050 | E | 91.1 | Very high | 88.9 | Confident | 24 Ų | 24 | 44.7 Ų | 44.7 | 11% | 0.112 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.4 | -33.9 | 172.3 | -82.7 | -167.3 | 177.2 | 0 | 0 | 112.7 | W1046 L1054 K1060 | W1046-E1050 PolarHBondContact NE1-OE1 3.35Å; W1046-E1050 PolarHBondContact O-N 2.83Å; E1050-L1054 PolarHBondContact O-N 3.14Å; E1050-L1054 VanDerWaalsContact O-N 3.09Å; E1050-K1060 HydrophobicContact CB-CD 4.19Å; E1050-K1060 IonicContact OE2-NZ 3.46Å |
| 1051 | T | 94.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -76.2 | -45 | -179.5 | -56.7 | 0 | 0 | 0 | 0 | 110.6 | C998 I1001 Y1024 T1047 I1048 L1049 E1053 L1054 G1055 | C998-T1051 HydrophobicContact CB-CG2 4.15Å; C998-T1051 VanDerWaalsContact CB-OG1 3.31Å; C998-T1051 WeakPolarHBondContact CB-OG1 3.49Å; I1001-T1051 HydrophobicContact CB-CG2 3.85Å; I1001-T1051 HydrophobicContact CD1-CG2 4.09Å; I1001-T1051 HydrophobicContact CG2-CG2 3.6Å; Y1024-T1051 PolarHBondContact OH-O 3.19Å; T1047-T1051 WeakPolarHBondContact O-CB 3.46Å; T1047-T1051 PolarHBondContact O-N 3.35Å; T1047-T1051 PolarHBondContact O-OG1 3.27Å; I1048-T1051 WeakPolarHBondContact O-CB 3.4Å; I1048-T1051 PolarHBondContact O-N 3.38Å; I1048-T1051 VanDerWaalsContact O-N 3.1Å; L1049-T1051 PolarHBondContact O-N 2.74Å; T1051-E1053 VanDerWaalsContact C-N 3.29Å; T1051-E1053 PolarHBondContact O-N 3.4Å; T1051-L1054 WeakPolarHBondContact O-CB 3.16Å; T1051-L1054 PolarHBondContact O-N 3.4Å; T1051-L1054 VanDerWaalsContact O-N 3.17Å; T1051-G1055 PolarHBondContact O-N 2.98Å; T1051-G1055 VanDerWaalsContact O-N 3.11Å |
| 1052 | I | 94.5 | Very high | 87.5 | Confident | 4 Ų | 4 | 41.9 Ų | 41.9 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.5 | -43.4 | 171.3 | -71.1 | 172.5 | 0 | 0 | 0 | 110.8 | Y1024 I1048 L1049 L1054 G1055 I1056 C1095 L1096 L1099 | Y1024-I1052 HydrophobicContact CE1-CG1 4.4Å; I1048-I1052 HydrophobicContact CG2-CD1 3.69Å; I1048-I1052 HydrophobicContact CG2-CG1 4.34Å; I1048-I1052 WeakPolarHBondContact O-CG1 3.25Å; I1048-I1052 PolarHBondContact O-N 3.16Å; L1049-I1052 PolarHBondContact O-N 3.49Å; I1052-L1054 VanDerWaalsContact C-N 3.34Å; I1052-L1054 PolarHBondContact O-N 2.88Å; I1052-G1055 PolarHBondContact O-N 2.92Å; I1052-G1055 VanDerWaalsContact O-N 3.08Å; I1052-I1056 HydrophobicContact CG2-CD1 3.77Å; I1052-I1056 HydrophobicContact CG2-CG1 4.46Å; I1052-I1056 WeakPolarHBondContact O-CG1 3.31Å; I1052-I1056 PolarHBondContact O-N 3.2Å; I1052-C1095 HydrophobicContact CD1-CB 4.32Å; I1052-C1095 HydrophobicContact CG1-CB 4.36Å; I1052-L1096 HydrophobicContact CD1-CB 4.38Å; I1052-L1096 HydrophobicContact CD1-CD1 4.47Å; I1052-L1096 HydrophobicContact CG2-CB 3.86Å; I1052-L1096 HydrophobicContact CG2-CD1 4.28Å; I1052-L1096 HydrophobicContact CG2-CD2 4.37Å; I1052-L1096 HydrophobicContact CG2-CG 4.39Å; I1052-L1099 HydrophobicContact CD1-CD2 4.18Å |
| 1053 | E | 91.3 | Very high | 86 | Confident | 26 Ų | 26 | 36.5 Ų | 36.5 | 12% | 0.121 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.1 | -42.9 | 176.1 | -176.9 | 177.2 | -134.6 | 0 | 0 | 111.8 | L1049 T1051 G1055 I1056 C1057 S1061 K1079 | L1049-E1053 WeakPolarHBondContact O-CB 3.4Å; L1049-E1053 PolarHBondContact O-N 3.35Å; T1051-E1053 VanDerWaalsContact C-N 3.29Å; T1051-E1053 PolarHBondContact O-N 3.4Å; E1053-G1055 PolarHBondContact O-N 3.2Å; E1053-I1056 PolarHBondContact O-N 3.46Å; E1053-C1057 HydrophobicContact CG-CB 4.25Å; E1053-C1057 WeakPolarHBondContact O-CB 3.28Å; E1053-C1057 PolarHBondContact O-N 3.35Å; E1053-S1061 VanDerWaalsContact CD-OG 3.26Å; E1053-S1061 PolarHBondContact OE1-OG 3.45Å; E1053-S1061 VanDerWaalsContact OE1-OG 3.14Å; E1053-S1061 WeakPolarHBondContact OE2-CB 3.18Å; E1053-S1061 PolarHBondContact OE2-N 2.91Å; E1053-S1061 PolarHBondContact OE2-OG 3.27Å; E1053-K1079 VanDerWaalsContact CD-NZ 3.25Å; E1053-K1079 IonicContact OE1-NZ 2.83Å; E1053-K1079 PolarHBondContact OE1-NZ 2.78Å; E1053-K1079 IonicContact OE2-NZ 2.85Å; E1053-K1079 PolarHBondContact OE2-NZ 3.33Å |
| 1054 | L | 91.2 | Very high | 84.5 | Confident | 7 Ų | 7 | 39 Ų | 39 | 4% | 0.037 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.2 | -38.5 | 174 | -179.8 | 66.1 | 0 | 0 | 0 | 111.7 | T1002 C1005 E1050 T1051 I1052 G1058 K1060 | T1002-L1054 HydrophobicContact CG2-CD2 4.05Å; C1005-L1054 HydrophobicContact CB-CD2 3.96Å; C1005-L1054 HydrophobicContact CB-CG 4.32Å; E1050-L1054 PolarHBondContact O-N 3.14Å; E1050-L1054 VanDerWaalsContact O-N 3.09Å; T1051-L1054 WeakPolarHBondContact O-CB 3.16Å; T1051-L1054 PolarHBondContact O-N 3.4Å; T1051-L1054 VanDerWaalsContact O-N 3.17Å; I1052-L1054 VanDerWaalsContact C-N 3.34Å; I1052-L1054 PolarHBondContact O-N 2.88Å; L1054-G1058 WeakPolarHBondContact O-CA 3.32Å; L1054-G1058 PolarHBondContact O-N 3.23Å; L1054-K1060 HydrophobicContact CB-CG 4.07Å; L1054-K1060 HydrophobicContact CD1-CG 4.41Å |
| 1055 | G | 91.7 | Very high | 82.5 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.1 | -37.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y1024 T1051 I1052 E1053 P1083 | Y1024-G1055 VanDerWaalsContact OH-CA 3.31Å; Y1024-G1055 WeakPolarHBondContact OH-CA 3.3Å; Y1024-G1055 PolarHBondContact OH-N 3.3Å; T1051-G1055 PolarHBondContact O-N 2.98Å; T1051-G1055 VanDerWaalsContact O-N 3.11Å; I1052-G1055 PolarHBondContact O-N 2.92Å; I1052-G1055 VanDerWaalsContact O-N 3.08Å; E1053-G1055 PolarHBondContact O-N 3.2Å; G1055-P1083 WeakPolarHBondContact O-CB 3.32Å |
| 1056 | I | 91.1 | Very high | 80.5 | Confident | 20 Ų | 20 | 48.2 Ų | 48.2 | 10% | 0.103 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -85.6 | -49.3 | -177.5 | -62.3 | 173.7 | 0 | 0 | 0 | 111.8 | I1052 E1053 P1083 A1092 E1093 L1096 | I1052-I1056 HydrophobicContact CG2-CD1 3.77Å; I1052-I1056 HydrophobicContact CG2-CG1 4.46Å; I1052-I1056 WeakPolarHBondContact O-CG1 3.31Å; I1052-I1056 PolarHBondContact O-N 3.2Å; E1053-I1056 PolarHBondContact O-N 3.46Å; I1056-P1083 WeakPolarHBondContact O-CB 3.27Å; I1056-A1092 HydrophobicContact CG1-CB 3.79Å; I1056-E1093 HydrophobicContact CD1-CG 4.02Å; I1056-E1093 HydrophobicContact CG1-CG 4.11Å; I1056-L1096 HydrophobicContact CD1-CD2 4.08Å |
| 1057 | C | 86.3 | Confident | 78.4 | Confident | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.014 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -91.8 | -23.3 | -172.9 | -59.6 | 0 | 0 | 0 | 0 | 113.1 | E1053 A1059 L1081 V1082 | E1053-C1057 HydrophobicContact CG-CB 4.25Å; E1053-C1057 WeakPolarHBondContact O-CB 3.28Å; E1053-C1057 PolarHBondContact O-N 3.35Å; C1057-A1059 VanDerWaalsContact C-N 3.3Å; C1057-L1081 HydrophobicContact CB-CD2 4.43Å; C1057-V1082 CarbonylContact O-C 3.59Å; C1057-V1082 PolarHBondContact O-N 3.41Å |
| 1058 | G | 84.6 | Confident | 76.2 | Confident | 27 Ų | 27 | 56.7 Ų | 56.7 | 28% | 0.278 | 30% | 0.301 | S | S | . | . | S | Bend | trans | 83.3 | -2.6 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L1054 V1082 | L1054-G1058 WeakPolarHBondContact O-CA 3.32Å; L1054-G1058 PolarHBondContact O-N 3.23Å; G1058-V1082 WeakPolarHBondContact CA-O 3.43Å |
| 1059 | A | 80.3 | Confident | 73.9 | Confident | 50 Ų | 50 | 63.7 Ų | 63.7 | 41% | 0.413 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -150.5 | 150.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | C1057 | C1057-A1059 VanDerWaalsContact C-N 3.3Š|
| 1060 | K | 79.4 | Confident | 71.8 | Confident | 52 Ų | 52 | 65.8 Ų | 65.8 | 23% | 0.226 | 35% | 0.351 | C | S | . | . | trans | -86.9 | 154.5 | 177.5 | -63.3 | -169.1 | 174.6 | -167.4 | 0 | 112.6 | T1002 E1050 L1054 | T1002-K1060 PolarHBondContact OG1-NZ 2.93Å; T1002-K1060 VanDerWaalsContact OG1-NZ 3.11Å; E1050-K1060 HydrophobicContact CB-CD 4.19Å; E1050-K1060 IonicContact OE2-NZ 3.46Å; L1054-K1060 HydrophobicContact CB-CG 4.07Å; L1054-K1060 HydrophobicContact CD1-CG 4.41Å | ||
| 1061 | S | 71.4 | Confident | 69.8 | Low | 25 Ų | 25 | 68.4 Ų | 68.4 | 18% | 0.175 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -60.3 | -44.5 | 173.1 | -67.6 | 0 | 0 | 0 | 0 | 114.7 | E1053 K1079 | E1053-S1061 VanDerWaalsContact CD-OG 3.26Å; E1053-S1061 PolarHBondContact OE1-OG 3.45Å; E1053-S1061 VanDerWaalsContact OE1-OG 3.14Å; E1053-S1061 WeakPolarHBondContact OE2-CB 3.18Å; E1053-S1061 PolarHBondContact OE2-N 2.91Å; E1053-S1061 PolarHBondContact OE2-OG 3.27Å; S1061-K1079 PolarHBondContact OG-NZ 2.92Å |
| 1062 | S | 67 | Low | 68 | Low | 27 Ų | 27 | 73.8 Ų | 73.8 | 19% | 0.189 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -97.4 | 99.8 | 178.5 | -174.4 | 0 | 0 | 0 | 0 | 109.8 | K1064 | S1062-K1064 VanDerWaalsContact C-N 3.31Å; S1062-K1064 PolarHBondContact O-N 3.41Å |
| 1063 | N | 56.4 | Low | 66.4 | Low | 107 Ų | 107 | 77.8 Ų | 77.8 | 57% | 0.572 | 43% | 0.43 | S | S | * | . | trans | -85.2 | 71 | -178.6 | -157.8 | 7.3 | 0 | 0 | 0 | 111.9 | Q1065 A1066 | N1063-Q1065 PolarHBondContact O-N 3.41Å; N1063-A1066 PolarHBondContact O-N 3Å | ||
| 1064 | K | 55 | Low | 65.2 | Low | 167 Ų | 167 | 80.3 Ų | 80.3 | 73% | 0.726 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -0.2 | -175.3 | -65 | -177.6 | 179.6 | 173.1 | 0 | 115.9 | S1062 | S1062-K1064 VanDerWaalsContact C-N 3.31Å; S1062-K1064 PolarHBondContact O-N 3.41Å |
| 1065 | Q | 48.4 | Very low | 64 | Low | 168 Ų | 168 | 85.6 Ų | 85.6 | 79% | 0.785 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -18.7 | 177.5 | -68.8 | -172.3 | -9.4 | 0 | 0 | 113.5 | N1063 K1067 | N1063-Q1065 PolarHBondContact O-N 3.41Å; Q1065-K1067 PolarHBondContact O-N 2.82Å |
| 1066 | A | 46.5 | Very low | 62.5 | Low | 60 Ų | 60 | 91.8 Ų | 91.8 | 50% | 0.496 | 50% | 0.498 | S | S | . | . | trans | -82.5 | 89.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | N1063 N1068 | N1063-A1066 PolarHBondContact O-N 3Å; A1066-N1068 PolarHBondContact O-N 2.95Å; A1066-N1068 VanDerWaalsContact O-N 3.11Å | ||
| 1067 | K | 47.1 | Very low | 61.3 | Low | 200 Ų | 200 | 94.9 Ų | 94.9 | 87% | 0.87 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -9.7 | -176.8 | -87.7 | -171.4 | 173.5 | -176.6 | 0 | 115.9 | Q1065 | Q1065-K1067 PolarHBondContact O-N 2.82Š|
| 1068 | N | 46.7 | Very low | 60.4 | Low | 160 Ų | 160 | 101.4 Ų | 101.4 | 86% | 0.856 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.1 | 9.8 | -166.7 | -70.6 | 6.1 | 0 | 0 | 0 | 115.5 | A1066 | A1066-N1068 PolarHBondContact O-N 2.95Å; A1066-N1068 VanDerWaalsContact O-N 3.11Å |
| 1069 | E | 45 | Very low | 59.7 | Low | 149 Ų | 149 | 101 Ų | 101 | 70% | 0.696 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -129.2 | 146.8 | 172.1 | -77.6 | -170.6 | 164 | 0 | 0 | 111.3 | S1071 | E1069-S1071 PolarHBondContact O-N 3.4Š|
| 1070 | P | 48.2 | Very low | 59 | Low | 106 Ų | 106 | 103.4 Ų | 103.4 | 69% | 0.688 | 57% | 0.567 | S | S | * | * | trans | -62.1 | 125 | 170.6 | 27.8 | -33.2 | 0 | 0 | 0 | 108.6 | T1072 | P1070-T1072 PolarHBondContact O-N 3.33Š| ||
| 1071 | S | 50.4 | Low | 58.7 | Low | 79 Ų | 79 | 106.7 Ų | 106.7 | 55% | 0.552 | 59% | 0.587 | S | S | * | * | trans | -68.2 | 90.7 | -169.7 | 60.7 | 0 | 0 | 0 | 0 | 112.1 | E1069 T1073 | E1069-S1071 PolarHBondContact O-N 3.4Å; S1071-T1073 PolarHBondContact O-N 2.65Å; S1071-T1073 VanDerWaalsContact O-N 3.12Å | ||
| 1072 | T | 55.2 | Low | 59.1 | Low | 114 Ų | 114 | 110.5 Ų | 110.5 | 70% | 0.699 | 61% | 0.608 | S | S | * | * | trans | -61.2 | 112.8 | 170.1 | 44.6 | 0 | 0 | 0 | 0 | 108.5 | P1070 I1074 | P1070-T1072 PolarHBondContact O-N 3.33Å; T1072-I1074 PolarHBondContact O-N 2.89Å | ||
| 1073 | T | 62.5 | Low | 59.9 | Low | 88 Ų | 88 | 111 Ų | 111 | 54% | 0.54 | 61% | 0.611 | S | S | . | * | trans | -75.3 | 101.1 | -176.7 | -62.1 | 0 | 0 | 0 | 0 | 108.4 | S1071 L1075 | S1071-T1073 PolarHBondContact O-N 2.65Å; S1071-T1073 VanDerWaalsContact O-N 3.12Å; T1073-L1075 PolarHBondContact O-N 2.76Å | ||
| 1074 | I | 66.1 | Low | 61.2 | Low | 79 Ų | 79 | 107.7 Ų | 107.7 | 41% | 0.405 | 60% | 0.596 | S | S | . | * | trans | -63.6 | 123.5 | -178.3 | -55.1 | 175.1 | 0 | 0 | 0 | 108.7 | T1072 Q1078 K1079 | T1072-I1074 PolarHBondContact O-N 2.89Å; I1074-Q1078 HydrophobicContact CG2-CB 3.99Å; I1074-K1079 HydrophobicContact CB-CG 4.42Å; I1074-K1079 HydrophobicContact CG2-CG 3.71Å; I1074-K1079 WeakPolarHBondContact O-CE 3.46Å; I1074-K1079 PolarHBondContact O-NZ 3.25Å; I1074-K1079 VanDerWaalsContact O-NZ 3.17Å | ||
| 1075 | L | 64.5 | Low | 62.8 | Low | 117 Ų | 117 | 100.7 Ų | 100.7 | 61% | 0.613 | 57% | 0.569 | S | S | * | * | trans | -67.3 | 145.7 | 179.6 | -67.8 | 171.7 | 0 | 0 | 0 | 110.7 | T1073 G1077 Q1078 | T1073-L1075 PolarHBondContact O-N 2.76Å; L1075-G1077 VanDerWaalsContact C-N 3.25Å; L1075-G1077 PolarHBondContact O-N 3.32Å; L1075-G1077 VanDerWaalsContact O-N 3.13Å; L1075-Q1078 PolarHBondContact O-N 3.39Å | ||
| 1076 | K | 61.5 | Low | 64.8 | Low | 131 Ų | 131 | 98.8 Ų | 98.8 | 57% | 0.57 | 56% | 0.558 | S | S | * | * | G | 310 helix | trans | -52.2 | -40.7 | -174.8 | -173.1 | -179.7 | 177.9 | -176 | 0 | 113.3 | Q1078 K1079 | K1076-Q1078 PolarHBondContact O-N 3.19Å; K1076-K1079 PolarHBondContact O-N 2.98Å |
| 1077 | G | 64.4 | Low | 66.9 | Low | 84 Ų | 84 | 98.6 Ų | 98.6 | 87% | 0.866 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -71.4 | -10.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | L1075 | L1075-G1077 VanDerWaalsContact C-N 3.25Å; L1075-G1077 PolarHBondContact O-N 3.32Å; L1075-G1077 VanDerWaalsContact O-N 3.13Å |
| 1078 | Q | 67.5 | Low | 69.2 | Low | 139 Ų | 139 | 89.1 Ų | 89.1 | 65% | 0.65 | 50% | 0.503 | S | S | * | . | G | 310 helix | trans | -99 | -3.3 | 177.8 | -66.5 | 172.7 | -22.3 | 0 | 0 | 112.7 | I1074 L1075 K1076 | I1074-Q1078 HydrophobicContact CG2-CB 3.99Å; L1075-Q1078 PolarHBondContact O-N 3.39Å; K1076-Q1078 PolarHBondContact O-N 3.19Å |
| 1079 | K | 69.7 | Low | 71.4 | Confident | 19 Ų | 19 | 82.3 Ų | 82.3 | 8% | 0.083 | 47% | 0.467 | C | S | . | . | S | Bend | trans | -90.3 | 132.4 | -178.8 | -65 | 177.5 | -168.3 | 165.2 | 0 | 110.8 | E1053 S1061 I1074 K1076 L1081 | E1053-K1079 VanDerWaalsContact CD-NZ 3.25Å; E1053-K1079 IonicContact OE1-NZ 2.83Å; E1053-K1079 PolarHBondContact OE1-NZ 2.78Å; E1053-K1079 IonicContact OE2-NZ 2.85Å; E1053-K1079 PolarHBondContact OE2-NZ 3.33Å; S1061-K1079 PolarHBondContact OG-NZ 2.92Å; I1074-K1079 HydrophobicContact CB-CG 4.42Å; I1074-K1079 HydrophobicContact CG2-CG 3.71Å; I1074-K1079 WeakPolarHBondContact O-CE 3.46Å; I1074-K1079 PolarHBondContact O-NZ 3.25Å; I1074-K1079 VanDerWaalsContact O-NZ 3.17Å; K1076-K1079 PolarHBondContact O-N 2.98Å; K1079-L1081 PolarHBondContact O-N 3.49Å |
| 1080 | P | 67.2 | Low | 73.7 | Confident | 101 Ų | 101 | 76 Ų | 76 | 66% | 0.656 | 44% | 0.439 | S | S | * | . | trans | -67.4 | 124 | 170.5 | 29.7 | -33.8 | 0 | 0 | 0 | 109.3 | V1082 | P1080-V1082 HydrophobicContact CB-CG2 4.1Å; P1080-V1082 PolarHBondContact O-N 3.22Å | ||
| 1081 | L | 71.5 | Confident | 75.9 | Confident | 121 Ų | 121 | 71 Ų | 71 | 63% | 0.634 | 41% | 0.406 | S | S | * | . | trans | -73.6 | 88.6 | 179 | -67.9 | 171.5 | 0 | 0 | 0 | 110.3 | C1057 K1079 P1083 | C1057-L1081 HydrophobicContact CB-CD2 4.43Å; K1079-L1081 PolarHBondContact O-N 3.49Å; L1081-P1083 VanDerWaalsContact C-CD 3.42Å; L1081-P1083 WeakPolarHBondContact O-CD 3.17Å | ||
| 1082 | V | 81.3 | Confident | 78.1 | Confident | 104 Ų | 104 | 67.3 Ų | 67.3 | 63% | 0.63 | 38% | 0.38 | S | S | * | . | trans | -126.1 | 65.5 | -179.2 | -165.3 | 0 | 0 | 0 | 0 | 110.4 | C1057 G1058 P1080 | C1057-V1082 CarbonylContact O-C 3.59Å; C1057-V1082 PolarHBondContact O-N 3.41Å; G1058-V1082 WeakPolarHBondContact CA-O 3.43Å; P1080-V1082 HydrophobicContact CB-CG2 4.1Å; P1080-V1082 PolarHBondContact O-N 3.22Å | ||
| 1083 | P | 83.2 | Confident | 79.8 | Confident | 38 Ų | 38 | 65.5 Ų | 65.5 | 25% | 0.247 | 36% | 0.364 | C | S | . | . | trans | -60.7 | 148.7 | 177.5 | 26.2 | -34.8 | 0 | 0 | 0 | 111.8 | G1055 I1056 L1081 S1085 C1089 | G1055-P1083 WeakPolarHBondContact O-CB 3.32Å; I1056-P1083 WeakPolarHBondContact O-CB 3.27Å; L1081-P1083 VanDerWaalsContact C-CD 3.42Å; L1081-P1083 WeakPolarHBondContact O-CD 3.17Å; P1083-S1085 PolarHBondContact O-N 3.47Å; P1083-C1089 HydrophobicContact CB-CB 3.89Å; P1083-C1089 HydrophobicContact CG-CB 3.97Å | ||
| 1084 | S | 82.5 | Confident | 81.2 | Confident | 37 Ų | 37 | 62 Ų | 62 | 26% | 0.259 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -60.5 | -22.9 | -177 | -45.2 | 0 | 0 | 0 | 0 | 114.2 | H1017 | H1017-S1084 PolarHBondContact NE2-O 3.41Š|
| 1085 | S | 90.1 | Very high | 82.4 | Confident | 21 Ų | 21 | 58.2 Ų | 58.2 | 15% | 0.147 | 32% | 0.324 | C | S | . | . | trans | -165.2 | 159.4 | 163.2 | 70.9 | 0 | 0 | 0 | 0 | 110.2 | P1083 R1087 V1088 C1089 | P1083-S1085 PolarHBondContact O-N 3.47Å; S1085-R1087 VanDerWaalsContact C-N 3.35Å; S1085-R1087 PolarHBondContact O-N 3Å; S1085-V1088 PolarHBondContact O-N 3.15Å; S1085-V1088 VanDerWaalsContact OG-CG2 3.28Å; S1085-V1088 WeakPolarHBondContact OG-CG2 3.36Å; S1085-V1088 PolarHBondContact OG-N 3.33Å; S1085-C1089 PolarHBondContact O-N 2.87Å; S1085-C1089 VanDerWaalsContact O-N 3.08Å | ||
| 1086 | K | 90.1 | Very high | 83.7 | Confident | 128 Ų | 128 | 54.7 Ų | 54.7 | 56% | 0.557 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -56.6 | -45.5 | 174.1 | -173.3 | 171.2 | -177.9 | 173.4 | 0 | 112.3 | V1088 C1089 D1090 | K1086-V1088 PolarHBondContact O-N 2.82Å; K1086-C1089 WeakPolarHBondContact O-CA 3.26Å; K1086-C1089 VanDerWaalsContact O-CB 3.25Å; K1086-C1089 WeakPolarHBondContact O-CB 3.23Å; K1086-C1089 PolarHBondContact O-N 3.49Å; K1086-D1090 PolarHBondContact O-N 3.41Å |
| 1087 | R | 91.3 | Very high | 84.8 | Confident | 56 Ų | 56 | 49.4 Ų | 49.4 | 21% | 0.211 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.3 | -33.6 | 179.4 | -53.8 | -176 | 87.6 | -168.1 | 12.9 | 113 | V1021 S1085 A1091 R1680 L1681 S1683 | V1021-R1087 HydrophobicContact CG2-CB 4.14Å; V1021-R1087 VanDerWaalsContact CG2-O 3.31Å; V1021-R1087 WeakPolarHBondContact CG2-O 3.47Å; S1085-R1087 VanDerWaalsContact C-N 3.35Å; S1085-R1087 PolarHBondContact O-N 3Å; R1087-A1091 WeakPolarHBondContact O-CB 3.5Å; R1087-A1091 PolarHBondContact O-N 2.76Å; R1087-A1091 VanDerWaalsContact O-N 3.15Å; R1087-R1680 PolarHBondContact NH2-O 3.46Å; R1087-L1681 PolarHBondContact NH1-O 3.48Å; R1087-L1681 PolarHBondContact NH2-O 2.94Å; R1087-S1683 PolarHBondContact NH2-O 3.04Å |
| 1088 | V | 94 | Very high | 85.7 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -74.1 | -38.6 | 176.2 | 169.1 | 0 | 0 | 0 | 0 | 111.2 | H1017 I1020 V1021 Y1024 S1085 K1086 A1091 A1092 | H1017-V1088 HydrophobicContact CB-CG2 4.18Å; I1020-V1088 HydrophobicContact CB-CG2 3.95Å; I1020-V1088 HydrophobicContact CD1-CG2 4.49Å; I1020-V1088 HydrophobicContact CG2-CB 4.4Å; I1020-V1088 HydrophobicContact CG2-CG1 3.79Å; I1020-V1088 HydrophobicContact CG2-CG2 3.68Å; V1021-V1088 HydrophobicContact CG2-CG2 4.22Å; Y1024-V1088 HydrophobicContact CE2-CG1 4.08Å; S1085-V1088 PolarHBondContact O-N 3.15Å; S1085-V1088 VanDerWaalsContact OG-CG2 3.28Å; S1085-V1088 WeakPolarHBondContact OG-CG2 3.36Å; S1085-V1088 PolarHBondContact OG-N 3.33Å; K1086-V1088 PolarHBondContact O-N 2.82Å; V1088-A1091 PolarHBondContact O-N 3.19Å; V1088-A1092 WeakPolarHBondContact O-CB 3.21Å; V1088-A1092 PolarHBondContact O-N 3.34Å |
| 1089 | C | 93.8 | Very high | 86.6 | Confident | 17 Ų | 17 | 40.4 Ų | 40.4 | 12% | 0.115 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.6 | -54.1 | 171.6 | -163.3 | 0 | 0 | 0 | 0 | 110.7 | P1083 S1085 K1086 A1091 A1092 E1093 | P1083-C1089 HydrophobicContact CB-CB 3.89Å; P1083-C1089 HydrophobicContact CG-CB 3.97Å; S1085-C1089 PolarHBondContact O-N 2.87Å; S1085-C1089 VanDerWaalsContact O-N 3.08Å; K1086-C1089 WeakPolarHBondContact O-CA 3.26Å; K1086-C1089 VanDerWaalsContact O-CB 3.25Å; K1086-C1089 WeakPolarHBondContact O-CB 3.23Å; K1086-C1089 PolarHBondContact O-N 3.49Å; C1089-A1091 VanDerWaalsContact C-N 3.26Å; C1089-A1091 PolarHBondContact O-N 3.39Å; C1089-A1092 PolarHBondContact O-N 3.14Å; C1089-E1093 WeakPolarHBondContact O-CG 3.39Å; C1089-E1093 PolarHBondContact O-N 2.77Å |
| 1090 | D | 93.1 | Very high | 87.1 | Confident | 18 Ų | 18 | 44.8 Ų | 44.8 | 10% | 0.096 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -53.6 | -41.2 | 177.6 | -52.6 | -29.2 | 0 | 0 | 0 | 111.7 | K1086 A1094 P1688 H1690 V1691 | K1086-D1090 PolarHBondContact O-N 3.41Å; D1090-A1094 PolarHBondContact O-N 3.17Å; D1090-A1094 VanDerWaalsContact O-N 3.07Å; D1090-P1688 HydrophobicContact CB-CG 4.36Å; D1090-H1690 PolarHBondContact O-CE1 2.94Å; D1090-H1690 VanDerWaalsContact O-CE1 3.31Å; D1090-H1690 PolarHBondContact O-NE2 3.47Å; D1090-H1690 VanDerWaalsContact O-NE2 3.12Å; D1090-V1691 HydrophobicContact CB-CG2 3.76Å |
| 1091 | A | 94.8 | Very high | 87.4 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.008 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -72.4 | -35.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | V1021 Y1024 Y1025 R1087 V1088 C1089 C1095 | V1021-A1091 HydrophobicContact CB-CB 4.26Å; V1021-A1091 HydrophobicContact CG1-CB 3.99Å; V1021-A1091 HydrophobicContact CG2-CB 3.93Å; Y1024-A1091 HydrophobicContact CD2-CB 4.3Å; Y1024-A1091 HydrophobicContact CG-CB 4.38Å; Y1025-A1091 HydrophobicContact CE1-CB 4.34Å; R1087-A1091 WeakPolarHBondContact O-CB 3.5Å; R1087-A1091 PolarHBondContact O-N 2.76Å; R1087-A1091 VanDerWaalsContact O-N 3.15Å; V1088-A1091 PolarHBondContact O-N 3.19Å; C1089-A1091 VanDerWaalsContact C-N 3.26Å; C1089-A1091 PolarHBondContact O-N 3.39Å; A1091-C1095 WeakPolarHBondContact O-CB 3.14Å; A1091-C1095 PolarHBondContact O-N 3.03Å |
| 1092 | A | 95.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -71.3 | -38.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y1024 I1056 V1088 C1089 C1095 L1096 | Y1024-A1092 HydrophobicContact CD1-CB 4.39Å; Y1024-A1092 HydrophobicContact CE1-CB 3.88Å; Y1024-A1092 HydrophobicContact CE2-CB 4.32Å; I1056-A1092 HydrophobicContact CG1-CB 3.79Å; V1088-A1092 WeakPolarHBondContact O-CB 3.21Å; V1088-A1092 PolarHBondContact O-N 3.34Å; C1089-A1092 PolarHBondContact O-N 3.14Å; A1092-C1095 WeakPolarHBondContact O-CB 3.36Å; A1092-C1095 PolarHBondContact O-N 3.21Å; A1092-L1096 WeakPolarHBondContact O-CB 3.04Å; A1092-L1096 PolarHBondContact O-N 3.39Å |
| 1093 | E | 92.1 | Very high | 85.9 | Confident | 77 Ų | 77 | 35 Ų | 35 | 36% | 0.36 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.9 | -43.3 | 171.5 | -71.7 | -177 | -177.5 | 0 | 0 | 111.8 | I1056 C1089 C1095 L1096 S1097 F1188 | I1056-E1093 HydrophobicContact CD1-CG 4.02Å; I1056-E1093 HydrophobicContact CG1-CG 4.11Å; C1089-E1093 WeakPolarHBondContact O-CG 3.39Å; C1089-E1093 PolarHBondContact O-N 2.77Å; E1093-C1095 PolarHBondContact O-N 2.82Å; E1093-L1096 WeakPolarHBondContact O-CB 3.11Å; E1093-L1096 PolarHBondContact O-N 3.45Å; E1093-S1097 PolarHBondContact O-N 3.01Å; E1093-F1188 HydrophobicContact CB-CZ 4.47Å |
| 1094 | A | 90.2 | Very high | 84.2 | Confident | 13 Ų | 13 | 37.1 Ų | 37.1 | 11% | 0.107 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.1 | -41.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | D1090 L1096 S1097 N1098 F1188 | D1090-A1094 PolarHBondContact O-N 3.17Å; D1090-A1094 VanDerWaalsContact O-N 3.07Å; A1094-L1096 VanDerWaalsContact C-N 3.31Å; A1094-L1096 PolarHBondContact O-N 3.22Å; A1094-S1097 PolarHBondContact O-N 2.66Å; A1094-N1098 VanDerWaalsContact O-CG 3.31Å; A1094-N1098 PolarHBondContact O-N 2.64Å; A1094-N1098 PolarHBondContact O-ND2 3.21Å; A1094-F1188 HydrophobicContact CB-CE1 4.29Å |
| 1095 | C | 92.1 | Very high | 82.5 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.1 | -37.9 | 175.4 | -167.1 | 0 | 0 | 0 | 0 | 111.9 | Y1024 I1052 A1091 A1092 E1093 N1098 L1099 | Y1024-C1095 HydrophobicContact CD1-CB 3.96Å; I1052-C1095 HydrophobicContact CD1-CB 4.32Å; I1052-C1095 HydrophobicContact CG1-CB 4.36Å; A1091-C1095 WeakPolarHBondContact O-CB 3.14Å; A1091-C1095 PolarHBondContact O-N 3.03Å; A1092-C1095 WeakPolarHBondContact O-CB 3.36Å; A1092-C1095 PolarHBondContact O-N 3.21Å; E1093-C1095 PolarHBondContact O-N 2.82Å; C1095-N1098 PolarHBondContact O-N 3.1Å; C1095-L1099 WeakPolarHBondContact O-CB 3.25Å; C1095-L1099 PolarHBondContact O-N 3.2Å |
| 1096 | L | 91.4 | Very high | 80.1 | Confident | 44 Ų | 44 | 46.4 Ų | 46.4 | 23% | 0.23 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.2 | -44.8 | 174.5 | -175.8 | 57.7 | 0 | 0 | 0 | 111.8 | L1049 I1052 I1056 A1092 E1093 A1094 N1098 L1099 M1100 | L1049-L1096 HydrophobicContact CD2-CD1 4.12Å; I1052-L1096 HydrophobicContact CD1-CB 4.38Å; I1052-L1096 HydrophobicContact CD1-CD1 4.47Å; I1052-L1096 HydrophobicContact CG2-CB 3.86Å; I1052-L1096 HydrophobicContact CG2-CD1 4.28Å; I1052-L1096 HydrophobicContact CG2-CD2 4.37Å; I1052-L1096 HydrophobicContact CG2-CG 4.39Å; I1056-L1096 HydrophobicContact CD1-CD2 4.08Å; A1092-L1096 WeakPolarHBondContact O-CB 3.04Å; A1092-L1096 PolarHBondContact O-N 3.39Å; E1093-L1096 WeakPolarHBondContact O-CB 3.11Å; E1093-L1096 PolarHBondContact O-N 3.45Å; A1094-L1096 VanDerWaalsContact C-N 3.31Å; A1094-L1096 PolarHBondContact O-N 3.22Å; L1096-N1098 VanDerWaalsContact C-N 3.32Å; L1096-N1098 PolarHBondContact O-N 2.81Å; L1096-L1099 PolarHBondContact O-N 2.88Å; L1096-M1100 HydrophobicContact CD1-CE 3.76Å; L1096-M1100 HydrophobicContact CD1-CG 4.13Å; L1096-M1100 HydrophobicContact CG-CG 4.47Å; L1096-M1100 WeakPolarHBondContact O-CB 3.28Å; L1096-M1100 VanDerWaalsContact O-CG 3.32Å; L1096-M1100 WeakPolarHBondContact O-CG 3.48Å; L1096-M1100 PolarHBondContact O-N 2.79Å |
| 1097 | S | 85.4 | Confident | 78 | Confident | 20 Ų | 20 | 44.8 Ų | 44.8 | 14% | 0.14 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60 | -43.5 | 175.7 | -175 | 0 | 0 | 0 | 0 | 111.2 | E1093 A1094 M1100 S1101 F1188 | E1093-S1097 PolarHBondContact O-N 3.01Å; A1094-S1097 PolarHBondContact O-N 2.66Å; S1097-M1100 PolarHBondContact O-N 3.06Å; S1097-S1101 VanDerWaalsContact O-CB 3.22Å; S1097-S1101 WeakPolarHBondContact O-CB 3.37Å; S1097-S1101 PolarHBondContact O-N 3.26Å; S1097-S1101 PolarHBondContact O-OG 3.31Å; S1097-F1188 WeakPolarHBondContact OG-CD1 3.48Å; S1097-F1188 WeakPolarHBondContact OG-CD2 3.28Å; S1097-F1188 WeakPolarHBondContact OG-CG 3.45Å |
| 1098 | N | 82.7 | Confident | 75.9 | Confident | 27 Ų | 27 | 43.1 Ų | 43.1 | 14% | 0.144 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.1 | -52.9 | 174.9 | -73.5 | -21.1 | 0 | 0 | 0 | 110.9 | S1028 V1032 A1094 C1095 L1096 M1100 S1101 V1102 | S1028-N1098 PolarHBondContact OG-ND2 3.25Å; V1032-N1098 HydrophobicContact CG2-CB 4.38Å; A1094-N1098 VanDerWaalsContact O-CG 3.31Å; A1094-N1098 PolarHBondContact O-N 2.64Å; A1094-N1098 PolarHBondContact O-ND2 3.21Å; C1095-N1098 PolarHBondContact O-N 3.1Å; L1096-N1098 VanDerWaalsContact C-N 3.32Å; L1096-N1098 PolarHBondContact O-N 2.81Å; N1098-M1100 PolarHBondContact O-N 2.79Å; N1098-S1101 PolarHBondContact O-N 3.32Å; N1098-S1101 VanDerWaalsContact O-N 3.14Å; N1098-V1102 WeakPolarHBondContact O-CG2 3.29Å; N1098-V1102 PolarHBondContact O-N 2.76Å |
| 1099 | L | 85.6 | Confident | 73.5 | Confident | 6 Ų | 6 | 45.8 Ų | 45.8 | 3% | 0.031 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -54.8 | -47.7 | 179 | -178.2 | 69 | 0 | 0 | 0 | 112.4 | I1031 L1039 I1048 L1049 I1052 C1095 L1096 A1103 | I1031-L1099 HydrophobicContact CD1-CD1 4.4Å; I1031-L1099 HydrophobicContact CG2-CD1 3.85Å; L1039-L1099 HydrophobicContact CD2-CD1 3.75Å; I1048-L1099 HydrophobicContact CG2-CD2 3.95Å; L1049-L1099 HydrophobicContact CD2-CD2 3.76Å; L1049-L1099 HydrophobicContact CG-CD2 4.26Å; I1052-L1099 HydrophobicContact CD1-CD2 4.18Å; C1095-L1099 WeakPolarHBondContact O-CB 3.25Å; C1095-L1099 PolarHBondContact O-N 3.2Å; L1096-L1099 PolarHBondContact O-N 2.88Å; L1099-A1103 PolarHBondContact O-N 3.05Å |
| 1100 | M | 81.4 | Confident | 70.8 | Confident | 111 Ų | 111 | 52.2 Ų | 52.2 | 55% | 0.547 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -70 | -32.5 | 179.2 | -65.9 | -63.9 | 174.5 | 0 | 0 | 112.5 | L1049 L1096 S1097 N1098 V1102 A1103 | L1049-M1100 HydrophobicContact CD2-CE 4.45Å; L1096-M1100 HydrophobicContact CD1-CE 3.76Å; L1096-M1100 HydrophobicContact CD1-CG 4.13Å; L1096-M1100 HydrophobicContact CG-CG 4.47Å; L1096-M1100 WeakPolarHBondContact O-CB 3.28Å; L1096-M1100 VanDerWaalsContact O-CG 3.32Å; L1096-M1100 WeakPolarHBondContact O-CG 3.48Å; L1096-M1100 PolarHBondContact O-N 2.79Å; S1097-M1100 PolarHBondContact O-N 3.06Å; N1098-M1100 PolarHBondContact O-N 2.79Å; M1100-V1102 VanDerWaalsContact C-N 3.31Å; M1100-V1102 PolarHBondContact O-N 3.4Å; M1100-A1103 PolarHBondContact O-N 2.65Å |
| 1101 | S | 72.3 | Confident | 68.5 | Low | 50 Ų | 50 | 53.2 Ų | 53.2 | 35% | 0.35 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -69.9 | -25.7 | 179.3 | -61.2 | 0 | 0 | 0 | 0 | 113.3 | S1097 N1098 S1105 | S1097-S1101 VanDerWaalsContact O-CB 3.22Å; S1097-S1101 WeakPolarHBondContact O-CB 3.37Å; S1097-S1101 PolarHBondContact O-N 3.26Å; S1097-S1101 PolarHBondContact O-OG 3.31Å; N1098-S1101 PolarHBondContact O-N 3.32Å; N1098-S1101 VanDerWaalsContact O-N 3.14Å; S1101-S1105 WeakPolarHBondContact O-CB 3.48Å; S1101-S1105 PolarHBondContact O-OG 3.42Å |
| 1102 | V | 68.2 | Low | 66.3 | Low | 15 Ų | 15 | 56.6 Ų | 56.6 | 9% | 0.091 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -89.6 | -14.2 | 172.5 | -132.4 | 0 | 0 | 0 | 0 | 113.1 | V1032 V1035 N1098 M1100 G1104 P1109 | V1032-V1102 HydrophobicContact CG2-CG2 4.1Å; V1035-V1102 HydrophobicContact CB-CB 4.32Å; V1035-V1102 HydrophobicContact CB-CG1 3.76Å; V1035-V1102 HydrophobicContact CG1-CG1 3.87Å; V1035-V1102 HydrophobicContact CG2-CB 3.65Å; V1035-V1102 HydrophobicContact CG2-CG1 3.48Å; V1035-V1102 VanDerWaalsContact CG2-CG1 3.48Å; N1098-V1102 WeakPolarHBondContact O-CG2 3.29Å; N1098-V1102 PolarHBondContact O-N 2.76Å; M1100-V1102 VanDerWaalsContact C-N 3.31Å; M1100-V1102 PolarHBondContact O-N 3.4Å; V1102-G1104 PolarHBondContact O-N 3.44Å; V1102-G1104 VanDerWaalsContact O-N 3.17Å; V1102-P1109 HydrophobicContact CG1-CG 3.83Å |
| 1103 | A | 54.5 | Low | 64.3 | Low | 56 Ų | 56 | 58.2 Ų | 58.2 | 46% | 0.463 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -83.4 | 88.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1039 L1099 M1100 | L1039-A1103 HydrophobicContact CD1-CB 4.19Å; L1099-A1103 PolarHBondContact O-N 3.05Å; M1100-A1103 PolarHBondContact O-N 2.65Å |
| 1104 | G | 46.8 | Very low | 62.8 | Low | 83 Ų | 83 | 56.6 Ų | 56.6 | 86% | 0.856 | 35% | 0.349 | S | S | * | . | S | Bend | trans | 98.8 | 10.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | V1102 | V1102-G1104 PolarHBondContact O-N 3.44Å; V1102-G1104 VanDerWaalsContact O-N 3.17Å |
| 1105 | S | 47.8 | Very low | 61.4 | Low | 48 Ų | 48 | 58.2 Ų | 58.2 | 34% | 0.336 | 36% | 0.358 | S | S | . | . | trans | -77.8 | 129.7 | 174.8 | 40.1 | 0 | 0 | 0 | 0 | 112.3 | S1101 P1107 G1108 | S1101-S1105 WeakPolarHBondContact O-CB 3.48Å; S1101-S1105 PolarHBondContact O-OG 3.42Å; S1105-P1107 CarbonylContact C-O 3.49Å; S1105-P1107 CarbonylContact O-C 3.57Å; S1105-G1108 PolarHBondContact O-N 3.49Å | ||
| 1106 | F | 39.3 | Very low | 60.4 | Low | 205 Ų | 205 | 59.4 Ų | 59.4 | 90% | 0.899 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -126.6 | 122 | 167 | -177.6 | -94.7 | 0 | 0 | 0 | 111.1 | ||
| 1107 | P | 45.1 | Very low | 59.4 | Low | 94 Ų | 94 | 58.7 Ų | 58.7 | 61% | 0.61 | 37% | 0.365 | S | S | * | . | S | Bend | cis | -57.5 | 157.1 | -16.5 | 29.5 | -35.1 | 0 | 0 | 0 | 110.1 | S1105 | S1105-P1107 CarbonylContact C-O 3.49Å; S1105-P1107 CarbonylContact O-C 3.57Å |
| 1108 | G | 46.8 | Very low | 58.7 | Low | 21 Ų | 21 | 60.7 Ų | 60.7 | 22% | 0.216 | 37% | 0.372 | C | S | . | . | trans | -63.1 | -170 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | S1105 F1110 | S1105-G1108 PolarHBondContact O-N 3.49Å; G1108-F1110 PolarHBondContact O-N 2.79Å | ||
| 1109 | P | 44 | Very low | 58.2 | Low | 55 Ų | 55 | 62.2 Ų | 62.2 | 36% | 0.357 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -65 | 24.7 | 172.9 | 27.5 | -34.4 | 0 | 0 | 0 | 114.9 | V1102 G1111 | V1102-P1109 HydrophobicContact CG1-CG 3.83Å; P1109-G1111 PolarHBondContact O-N 2.89Å |
| 1110 | F | 37.4 | Very low | 57.7 | Low | 153 Ų | 153 | 62.5 Ų | 62.5 | 67% | 0.671 | 38% | 0.383 | S | S | * | . | trans | -83.5 | 59.1 | 173.4 | -65.3 | -72.4 | 0 | 0 | 0 | 112 | G1108 | G1108-F1110 PolarHBondContact O-N 2.79Š| ||
| 1111 | G | 45.8 | Very low | 57.6 | Low | 39 Ų | 39 | 57.3 Ų | 57.3 | 40% | 0.402 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -142.7 | 120.3 | 147.9 | 0 | 0 | 0 | 0 | 0 | 105.2 | P1109 D1113 | P1109-G1111 PolarHBondContact O-N 2.89Å; G1111-D1113 PolarHBondContact O-N 3.2Å |
| 1112 | T | 48.6 | Very low | 57.7 | Low | 72 Ų | 72 | 57 Ų | 57 | 44% | 0.442 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -27.3 | -175.9 | 39.1 | 0 | 0 | 0 | 0 | 113.1 | Y1521 A1523 | T1112-Y1521 WeakPolarHBondContact O-CE1 3.32Å; T1112-A1523 WeakPolarHBondContact O-CB 3.33Å |
| 1113 | D | 53.8 | Low | 57.9 | Low | 33 Ų | 33 | 57.2 Ų | 57.2 | 18% | 0.176 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -26.1 | -160.3 | -56.6 | 0.8 | 0 | 0 | 0 | 114 | G1111 R1428 K1473 Y1521 | G1111-D1113 PolarHBondContact O-N 3.2Å; D1113-R1428 PolarHBondContact O-NH2 3.06Å; D1113-K1473 VanDerWaalsContact CG-NZ 3.35Å; D1113-K1473 IonicContact OD1-NZ 2.97Å; D1113-K1473 PolarHBondContact OD1-NZ 3.49Å; D1113-K1473 IonicContact OD2-NZ 2.68Å; D1113-K1473 PolarHBondContact OD2-NZ 2.9Å; D1113-Y1521 PolarHBondContact O-OH 3.34Å |
| 1114 | T | 59.7 | Low | 58.9 | Low | 43 Ų | 43 | 55 Ų | 55 | 26% | 0.264 | 33% | 0.333 | S | S | . | . | trans | -153.6 | 134.7 | -168.6 | 64.2 | 0 | 0 | 0 | 0 | 115.8 | C1116 Q1118 P1479 | T1114-C1116 PolarHBondContact OG1-O 3.18Å; T1114-Q1118 HydrophobicContact CG2-CG 3.76Å; T1114-Q1118 VanDerWaalsContact CG2-NE2 3.26Å; T1114-P1479 HydrophobicContact CG2-CB 4.4Å; T1114-P1479 HydrophobicContact CG2-CG 3.68Å | ||
| 1115 | T | 60.5 | Low | 60.2 | Low | 48 Ų | 48 | 51.7 Ų | 51.7 | 29% | 0.294 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -87.5 | -5.2 | 169.5 | 60.2 | 0 | 0 | 0 | 0 | 114.4 | T1427 R1428 | T1115-T1427 PolarHBondContact OG1-OG1 2.99Å; T1115-R1428 HydrophobicContact CG2-CG 4Å |
| 1116 | C | 70.5 | Confident | 61.2 | Low | 25 Ų | 25 | 55.1 Ų | 55.1 | 17% | 0.169 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -140.5 | 161.1 | -173.2 | 67.5 | 0 | 0 | 0 | 0 | 110.7 | T1114 Q1118 R1190 | T1114-C1116 PolarHBondContact OG1-O 3.18Å; C1116-Q1118 PolarHBondContact O-N 2.87Å; C1116-R1190 WeakPolarHBondContact CB-O 3.29Å |
| 1117 | S | 72.1 | Confident | 62.5 | Low | 29 Ų | 29 | 48.2 Ų | 48.2 | 20% | 0.203 | 28% | 0.276 | C | S | . | . | trans | -69.3 | 126.1 | -172.5 | -175.3 | 0 | 0 | 0 | 0 | 112.6 | L1119 R1190 | S1117-L1119 PolarHBondContact O-N 2.9Å; S1117-L1119 WeakPolarHBondContact OG-CB 3.47Å; S1117-L1119 PolarHBondContact OG-N 2.87Å; S1117-R1190 WeakPolarHBondContact CB-O 3.42Å; S1117-R1190 PolarHBondContact N-O 3.48Å; S1117-R1190 PolarHBondContact O-NE 3.32Å; S1117-R1190 PolarHBondContact O-NH2 2.92Å | ||
| 1118 | Q | 70 | Confident | 63.5 | Low | 61 Ų | 61 | 44.7 Ų | 44.7 | 29% | 0.285 | 25% | 0.252 | S | S | . | . | trans | -76.6 | -10.1 | 170.7 | -64.9 | -57.7 | -45.3 | 0 | 0 | 113.4 | T1114 C1116 A1120 R1190 P1479 | T1114-Q1118 HydrophobicContact CG2-CG 3.76Å; T1114-Q1118 VanDerWaalsContact CG2-NE2 3.26Å; C1116-Q1118 PolarHBondContact O-N 2.87Å; Q1118-A1120 PolarHBondContact O-N 2.88Å; Q1118-R1190 VanDerWaalsContact C-NH2 3.35Å; Q1118-R1190 PolarHBondContact O-NH2 3.22Å; Q1118-P1479 VanDerWaalsContact CD-CB 3.48Å; Q1118-P1479 HydrophobicContact CG-CB 4.36Å; Q1118-P1479 HydrophobicContact CG-CG 4.2Å | ||
| 1119 | L | 73.1 | Confident | 64.2 | Low | 59 Ų | 59 | 47.7 Ų | 47.7 | 31% | 0.309 | 26% | 0.262 | S | S | . | . | trans | -68.3 | 122.3 | 173.6 | -57.9 | 176.2 | 0 | 0 | 0 | 110.1 | S1117 I1124 R1190 V1192 F1496 | S1117-L1119 PolarHBondContact O-N 2.9Å; S1117-L1119 WeakPolarHBondContact OG-CB 3.47Å; S1117-L1119 PolarHBondContact OG-N 2.87Å; L1119-I1124 HydrophobicContact CB-CD1 4.31Å; L1119-I1124 HydrophobicContact CB-CG1 4.34Å; L1119-R1190 PolarHBondContact O-NE 2.86Å; L1119-R1190 VanDerWaalsContact O-NE 3.11Å; L1119-V1192 HydrophobicContact CB-CG2 4.1Å; L1119-F1496 HydrophobicContact CD2-CE1 3.69Å; L1119-F1496 HydrophobicContact CD2-CZ 3.51Å | ||
| 1120 | A | 73.8 | Confident | 64.6 | Low | 12 Ų | 12 | 50.3 Ų | 50.3 | 10% | 0.099 | 27% | 0.273 | C | S | . | . | trans | -108.3 | 169.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q1118 D1122 N1123 I1124 | Q1118-A1120 PolarHBondContact O-N 2.88Å; A1120-D1122 PolarHBondContact O-N 3.12Å; A1120-N1123 WeakPolarHBondContact O-CB 3.41Å; A1120-N1123 PolarHBondContact O-N 2.85Å; A1120-N1123 VanDerWaalsContact O-N 3.12Å; A1120-I1124 WeakPolarHBondContact O-CG1 3.35Å; A1120-I1124 PolarHBondContact O-N 3.42Å | ||
| 1121 | E | 79.7 | Confident | 65.3 | Low | 3 Ų | 3 | 52.6 Ų | 52.6 | 1% | 0.014 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -54.1 | -49.1 | 179.9 | -71 | 85.6 | 163.8 | 0 | 0 | 112.7 | N1123 I1124 L1125 F1142 Y1144 I1183 R1185 | E1121-N1123 PolarHBondContact O-N 3.19Å; E1121-I1124 PolarHBondContact O-N 3.1Å; E1121-I1124 VanDerWaalsContact O-N 3.11Å; E1121-L1125 WeakPolarHBondContact O-CG 3.47Å; E1121-L1125 PolarHBondContact O-N 3.29Å; E1121-F1142 HydrophobicContact CB-CD2 4.21Å; E1121-F1142 HydrophobicContact CB-CE2 4.27Å; E1121-F1142 HydrophobicContact CG-CD1 4.15Å; E1121-F1142 HydrophobicContact CG-CD2 3.97Å; E1121-F1142 HydrophobicContact CG-CE1 4.36Å; E1121-F1142 HydrophobicContact CG-CE2 4.18Å; E1121-F1142 HydrophobicContact CG-CG 3.95Å; E1121-F1142 HydrophobicContact CG-CZ 4.37Å; E1121-Y1144 WeakPolarHBondContact CG-OH 3.35Å; E1121-Y1144 WeakPolarHBondContact OE1-CE1 3.43Å; E1121-Y1144 PolarHBondContact OE1-OH 3.3Å; E1121-I1183 HydrophobicContact CG-CD1 3.58Å; E1121-R1185 IonicContact OE1-CZ 2.78Å; E1121-R1185 IonicContact OE1-NH1 3.34Å; E1121-R1185 PolarHBondContact OE1-NH1 3.28Å; E1121-R1185 IonicContact OE1-NH2 3.8Å; E1121-R1185 PolarHBondContact OE1-NH2 2.62Å; E1121-R1185 VanDerWaalsContact OE1-NH2 3.12Å; E1121-R1185 IonicContact OE2-CZ 2.69Å; E1121-R1185 IonicContact OE2-NH1 3.72Å; E1121-R1185 IonicContact OE2-NH2 2.88Å; E1121-R1185 PolarHBondContact OE2-NH2 3.35Å |
| 1122 | D | 74 | Confident | 65.3 | Low | 43 Ų | 43 | 59.9 Ų | 59.9 | 23% | 0.23 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.9 | -31.2 | -178.6 | -49.4 | -39.3 | 0 | 0 | 0 | 111.8 | A1120 K1126 R1139 | A1120-D1122 PolarHBondContact O-N 3.12Å; D1122-K1126 WeakPolarHBondContact O-CB 3.21Å; D1122-K1126 WeakPolarHBondContact O-CD 3.27Å; D1122-K1126 WeakPolarHBondContact O-CG 3.39Å; D1122-K1126 PolarHBondContact O-N 2.82Å; D1122-K1126 VanDerWaalsContact O-N 3.08Å; D1122-R1139 WeakPolarHBondContact OD1-CG 3.28Å; D1122-R1139 IonicContact OD1-CZ 3.27Å; D1122-R1139 IonicContact OD1-NE 3.55Å; D1122-R1139 PolarHBondContact OD1-NE 2.67Å; D1122-R1139 IonicContact OD1-NH2 3.34Å; D1122-R1139 IonicContact OD2-CZ 2.77Å; D1122-R1139 IonicContact OD2-NE 2.87Å; D1122-R1139 PolarHBondContact OD2-NE 3.32Å; D1122-R1139 IonicContact OD2-NH2 2.83Å; D1122-R1139 PolarHBondContact OD2-NH2 2.71Å |
| 1123 | N | 73.5 | Confident | 65.4 | Low | 20 Ų | 20 | 60 Ų | 60 | 11% | 0.107 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -72.8 | -37.8 | 177 | -69.5 | 21.1 | 0 | 0 | 0 | 111.3 | A1120 E1121 L1127 F1496 | A1120-N1123 WeakPolarHBondContact O-CB 3.41Å; A1120-N1123 PolarHBondContact O-N 2.85Å; A1120-N1123 VanDerWaalsContact O-N 3.12Å; E1121-N1123 PolarHBondContact O-N 3.19Å; N1123-L1127 WeakPolarHBondContact O-CD1 3.42Å; N1123-L1127 VanDerWaalsContact O-CG 3.31Å; N1123-L1127 WeakPolarHBondContact O-CG 3.44Å; N1123-L1127 PolarHBondContact O-N 3.06Å; N1123-F1496 HydrophobicContact CB-CE2 3.75Å; N1123-F1496 HydrophobicContact CB-CZ 3.75Å |
| 1124 | I | 75.3 | Confident | 64.6 | Low | 10 Ų | 10 | 66.5 Ų | 66.5 | 5% | 0.051 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -70.3 | -45.8 | 177.6 | -68.2 | 162.6 | 0 | 0 | 0 | 109.8 | L1119 A1120 E1121 K1126 L1127 I1128 F1142 I1181 I1183 V1192 | L1119-I1124 HydrophobicContact CB-CD1 4.31Å; L1119-I1124 HydrophobicContact CB-CG1 4.34Å; A1120-I1124 WeakPolarHBondContact O-CG1 3.35Å; A1120-I1124 PolarHBondContact O-N 3.42Å; E1121-I1124 PolarHBondContact O-N 3.1Å; E1121-I1124 VanDerWaalsContact O-N 3.11Å; I1124-K1126 PolarHBondContact O-N 3.41Å; I1124-L1127 PolarHBondContact O-N 3.19Å; I1124-I1128 HydrophobicContact CG2-CD1 3.66Å; I1124-I1128 WeakPolarHBondContact O-CD1 3.36Å; I1124-I1128 VanDerWaalsContact O-CG1 3.27Å; I1124-I1128 WeakPolarHBondContact O-CG1 3.21Å; I1124-I1128 PolarHBondContact O-N 2.73Å; I1124-F1142 HydrophobicContact CG2-CZ 4.24Å; I1124-I1181 HydrophobicContact CD1-CG2 4.31Å; I1124-I1181 HydrophobicContact CG2-CD1 3.57Å; I1124-I1183 HydrophobicContact CD1-CD1 3.8Å; I1124-I1183 HydrophobicContact CD1-CG1 4.33Å; I1124-V1192 HydrophobicContact CD1-CG1 3.88Å; I1124-V1192 HydrophobicContact CD1-CG2 4.45Å |
| 1125 | L | 73.2 | Confident | 64.1 | Low | 13 Ų | 13 | 69.2 Ų | 69.2 | 7% | 0.068 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.2 | -42.6 | 177.1 | -67.3 | 170.7 | 0 | 0 | 0 | 112 | E1121 L1127 I1128 I1129 E1141 F1142 | E1121-L1125 WeakPolarHBondContact O-CG 3.47Å; E1121-L1125 PolarHBondContact O-N 3.29Å; L1125-L1127 PolarHBondContact O-N 3.04Å; L1125-I1128 PolarHBondContact O-N 3.39Å; L1125-I1128 VanDerWaalsContact O-N 3.07Å; L1125-I1129 HydrophobicContact CB-CD1 4.31Å; L1125-I1129 WeakPolarHBondContact O-CG1 3.34Å; L1125-I1129 PolarHBondContact O-N 3.45Å; L1125-E1141 WeakPolarHBondContact CD2-OE2 3.22Å; L1125-F1142 HydrophobicContact CD2-CE2 4.13Å; L1125-F1142 HydrophobicContact CG-CE2 4.15Å |
| 1126 | K | 69.4 | Low | 63.2 | Low | 120 Ų | 120 | 75.7 Ų | 75.7 | 52% | 0.522 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60 | -24.2 | 173.3 | -78.4 | 171 | -177.3 | 176.2 | 0 | 114.5 | D1122 I1124 | D1122-K1126 WeakPolarHBondContact O-CB 3.21Å; D1122-K1126 WeakPolarHBondContact O-CD 3.27Å; D1122-K1126 WeakPolarHBondContact O-CG 3.39Å; D1122-K1126 PolarHBondContact O-N 2.82Å; D1122-K1126 VanDerWaalsContact O-N 3.08Å; I1124-K1126 PolarHBondContact O-N 3.41Å |
| 1127 | L | 65.6 | Low | 62.2 | Low | 60 Ų | 60 | 83 Ų | 83 | 31% | 0.314 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -7 | 177.9 | -71.5 | 168.6 | 0 | 0 | 0 | 113 | N1123 I1124 L1125 A1166 F1496 | N1123-L1127 WeakPolarHBondContact O-CD1 3.42Å; N1123-L1127 VanDerWaalsContact O-CG 3.31Å; N1123-L1127 WeakPolarHBondContact O-CG 3.44Å; N1123-L1127 PolarHBondContact O-N 3.06Å; I1124-L1127 PolarHBondContact O-N 3.19Å; L1125-L1127 PolarHBondContact O-N 3.04Å; L1127-A1166 WeakPolarHBondContact O-CB 3.29Å; L1127-F1496 HydrophobicContact CD1-CD2 4.33Å; L1127-F1496 HydrophobicContact CD1-CE2 3.76Å; L1127-F1496 HydrophobicContact CD1-CZ 4.03Å; L1127-F1496 HydrophobicContact CD2-CD2 4.31Å; L1127-F1496 HydrophobicContact CD2-CE2 4.48Å; L1127-F1496 HydrophobicContact CG-CD2 4.43Å; L1127-F1496 HydrophobicContact CG-CE2 4.13Å |
| 1128 | I | 66.2 | Low | 61 | Low | 19 Ų | 19 | 83.4 Ų | 83.4 | 10% | 0.097 | 43% | 0.431 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | -28.1 | -176 | -61.7 | 166.3 | 0 | 0 | 0 | 111.6 | I1124 L1125 F1158 F1163 I1181 | I1124-I1128 HydrophobicContact CG2-CD1 3.66Å; I1124-I1128 WeakPolarHBondContact O-CD1 3.36Å; I1124-I1128 VanDerWaalsContact O-CG1 3.27Å; I1124-I1128 WeakPolarHBondContact O-CG1 3.21Å; I1124-I1128 PolarHBondContact O-N 2.73Å; L1125-I1128 PolarHBondContact O-N 3.39Å; L1125-I1128 VanDerWaalsContact O-N 3.07Å; I1128-F1158 HydrophobicContact CD1-CE1 3.77Å; I1128-F1158 HydrophobicContact CD1-CE2 4.29Å; I1128-F1158 HydrophobicContact CD1-CZ 3.51Å; I1128-F1158 HydrophobicContact CG2-CD1 4.36Å; I1128-F1158 HydrophobicContact CG2-CE1 3.95Å; I1128-F1163 HydrophobicContact CD1-CD2 4.13Å; I1128-F1163 HydrophobicContact CD1-CE2 3.66Å; I1128-F1163 HydrophobicContact CG1-CD2 3.88Å; I1128-F1163 HydrophobicContact CG1-CE2 3.62Å; I1128-I1181 HydrophobicContact CD1-CD1 3.99Å |
| 1129 | I | 62.3 | Low | 60.2 | Low | 84 Ų | 84 | 83.5 Ų | 83.5 | 43% | 0.431 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -93.1 | 112.2 | -178.5 | -60.2 | 169.3 | 0 | 0 | 0 | 109.1 | L1125 S1133 | L1125-I1129 HydrophobicContact CB-CD1 4.31Å; L1125-I1129 WeakPolarHBondContact O-CG1 3.34Å; L1125-I1129 PolarHBondContact O-N 3.45Å; I1129-S1133 WeakPolarHBondContact CG2-OG 3.26Å |
| 1130 | D | 53.2 | Low | 59.2 | Low | 111 Ų | 111 | 84.3 Ų | 84.3 | 59% | 0.594 | 44% | 0.439 | S | S | * | . | trans | -60.5 | 137.3 | 169 | -82 | -37.1 | 0 | 0 | 0 | 110.6 | E1132 S1133 | D1130-E1132 PolarHBondContact O-N 2.79Å; D1130-S1133 PolarHBondContact O-N 3.35Å; D1130-S1133 PolarHBondContact O-OG 3.39Å | ||
| 1131 | E | 50.4 | Low | 58.9 | Low | 201 Ų | 201 | 88.4 Ų | 88.4 | 94% | 0.939 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -14.2 | -169.6 | -67.4 | -164.7 | 143.7 | 0 | 0 | 115.1 | ||
| 1132 | E | 47.5 | Very low | 58.8 | Low | 192 Ų | 192 | 88.4 Ų | 88.4 | 90% | 0.897 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -12.7 | -177.4 | -60.1 | -165.3 | 152.3 | 0 | 0 | 114.4 | D1130 N1134 | D1130-E1132 PolarHBondContact O-N 2.79Å; E1132-N1134 PolarHBondContact O-N 2.78Å |
| 1133 | S | 49.5 | Very low | 59 | Low | 73 Ų | 73 | 89.7 Ų | 89.7 | 51% | 0.51 | 46% | 0.461 | S | S | . | . | trans | -96.7 | 84.7 | -174.7 | 61.6 | 0 | 0 | 0 | 0 | 113.8 | I1129 D1130 S1135 | I1129-S1133 WeakPolarHBondContact CG2-OG 3.26Å; D1130-S1133 PolarHBondContact O-N 3.35Å; D1130-S1133 PolarHBondContact O-OG 3.39Å; S1133-S1135 VanDerWaalsContact C-N 3.25Å; S1133-S1135 PolarHBondContact O-N 2.71Å | ||
| 1134 | N | 38.2 | Very low | 59.5 | Low | 170 Ų | 170 | 89 Ų | 89 | 91% | 0.909 | 46% | 0.457 | S | S | * | . | trans | -77.9 | 41.2 | -164.2 | -143.6 | -7.5 | 0 | 0 | 0 | 116.2 | E1132 | E1132-N1134 PolarHBondContact O-N 2.78Š| ||
| 1135 | S | 48.6 | Very low | 59.8 | Low | 101 Ų | 101 | 89.2 Ų | 89.2 | 71% | 0.706 | 46% | 0.458 | S | S | * | . | trans | -124.8 | 88.4 | 176.5 | 68.3 | 0 | 0 | 0 | 0 | 112.8 | S1133 K1137 | S1133-S1135 VanDerWaalsContact C-N 3.25Å; S1133-S1135 PolarHBondContact O-N 2.71Å; S1135-K1137 PolarHBondContact O-N 2.7Å | ||
| 1136 | F | 41.8 | Very low | 60 | Low | 184 Ų | 184 | 88.7 Ų | 88.7 | 81% | 0.807 | 46% | 0.455 | S | S | * | . | trans | -73.4 | 78.5 | -175.7 | -151.3 | -88.3 | 0 | 0 | 0 | 112.9 | G1138 | F1136-G1138 PolarHBondContact O-N 3.24Å; F1136-G1138 VanDerWaalsContact O-N 3.14Å | ||
| 1137 | K | 48.2 | Very low | 60.3 | Low | 178 Ų | 178 | 83 Ų | 83 | 77% | 0.774 | 43% | 0.43 | S | S | * | . | trans | -82.4 | 71.9 | 162.9 | -79.3 | -168.9 | 174.7 | -175.9 | 0 | 110 | S1135 S1140 | S1135-K1137 PolarHBondContact O-N 2.7Å; K1137-S1140 PolarHBondContact O-OG 3.12Å | ||
| 1138 | G | 48 | Very low | 60.3 | Low | 38 Ų | 38 | 84 Ų | 84 | 39% | 0.392 | 43% | 0.433 | S | S | . | . | trans | -59.9 | 137.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | F1136 S1140 | F1136-G1138 PolarHBondContact O-N 3.24Å; F1136-G1138 VanDerWaalsContact O-N 3.14Å; G1138-S1140 PolarHBondContact O-N 2.96Å | ||
| 1139 | R | 52.3 | Low | 60 | Low | 62 Ų | 62 | 88.3 Ų | 88.3 | 23% | 0.234 | 46% | 0.462 | C | S | . | . | S | Bend | trans | 58 | -14.5 | 173.4 | -63 | -174.4 | -178.9 | -174.7 | 0.7 | 118.7 | D1122 E1141 F1142 | D1122-R1139 WeakPolarHBondContact OD1-CG 3.28Å; D1122-R1139 IonicContact OD1-CZ 3.27Å; D1122-R1139 IonicContact OD1-NE 3.55Å; D1122-R1139 PolarHBondContact OD1-NE 2.67Å; D1122-R1139 IonicContact OD1-NH2 3.34Å; D1122-R1139 IonicContact OD2-CZ 2.77Å; D1122-R1139 IonicContact OD2-NE 2.87Å; D1122-R1139 PolarHBondContact OD2-NE 3.32Å; D1122-R1139 IonicContact OD2-NH2 2.83Å; D1122-R1139 PolarHBondContact OD2-NH2 2.71Å; R1139-E1141 PolarHBondContact O-N 2.85Å; R1139-F1142 PolarHBondContact O-N 3.46Å; R1139-F1142 VanDerWaalsContact O-N 3.09Å |
| 1140 | S | 53.3 | Low | 60.5 | Low | 76 Ų | 76 | 84.8 Ų | 84.8 | 53% | 0.531 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -5.6 | -175.6 | 57.9 | 0 | 0 | 0 | 0 | 115.9 | K1137 G1138 | K1137-S1140 PolarHBondContact O-OG 3.12Å; G1138-S1140 PolarHBondContact O-N 2.96Å |
| 1141 | E | 66.7 | Low | 62 | Low | 99 Ų | 99 | 81.5 Ų | 81.5 | 46% | 0.463 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -24.6 | 174.8 | -59.7 | -175.5 | 152.2 | 0 | 0 | 112.7 | L1125 R1139 H1143 | L1125-E1141 WeakPolarHBondContact CD2-OE2 3.22Å; R1139-E1141 PolarHBondContact O-N 2.85Å; E1141-H1143 PolarHBondContact O-N 3.4Å; E1141-H1143 PolarHBondContact O-ND1 3.38Å |
| 1142 | F | 77.9 | Confident | 63.8 | Low | 3 Ų | 3 | 72 Ų | 72 | 1% | 0.013 | 38% | 0.383 | C | S | . | . | trans | -83.5 | 115.1 | 178.5 | -84.1 | -89 | 0 | 0 | 0 | 111.3 | E1121 I1124 L1125 R1139 Y1144 L1155 C1156 I1181 I1183 | E1121-F1142 HydrophobicContact CB-CD2 4.21Å; E1121-F1142 HydrophobicContact CB-CE2 4.27Å; E1121-F1142 HydrophobicContact CG-CD1 4.15Å; E1121-F1142 HydrophobicContact CG-CD2 3.97Å; E1121-F1142 HydrophobicContact CG-CE1 4.36Å; E1121-F1142 HydrophobicContact CG-CE2 4.18Å; E1121-F1142 HydrophobicContact CG-CG 3.95Å; E1121-F1142 HydrophobicContact CG-CZ 4.37Å; I1124-F1142 HydrophobicContact CG2-CZ 4.24Å; L1125-F1142 HydrophobicContact CD2-CE2 4.13Å; L1125-F1142 HydrophobicContact CG-CE2 4.15Å; R1139-F1142 PolarHBondContact O-N 3.46Å; R1139-F1142 VanDerWaalsContact O-N 3.09Å; F1142-Y1144 HydrophobicContact CB-CE2 3.79Å; F1142-Y1144 VanDerWaalsContact O-CD2 3.31Å; F1142-Y1144 WeakPolarHBondContact O-CD2 3.36Å; F1142-Y1144 WeakPolarHBondContact O-CE2 3.46Å; F1142-L1155 WeakPolarHBondContact CA-O 3.46Å; F1142-C1156 HydrophobicContact CD1-CB 3.67Å; F1142-C1156 HydrophobicContact CD2-CB 4Å; F1142-C1156 HydrophobicContact CE1-CB 3.43Å; F1142-C1156 VanDerWaalsContact CE1-CB 3.43Å; F1142-C1156 HydrophobicContact CE2-CB 3.8Å; F1142-C1156 HydrophobicContact CG-CB 3.95Å; F1142-C1156 HydrophobicContact CZ-CB 3.51Å; F1142-I1181 HydrophobicContact CE1-CG2 4.3Å; F1142-I1181 HydrophobicContact CZ-CG2 4.3Å; F1142-I1183 HydrophobicContact CD1-CD1 4.06Å; F1142-I1183 HydrophobicContact CE1-CD1 3.42Å; F1142-I1183 VanDerWaalsContact CE1-CD1 3.42Å; F1142-I1183 HydrophobicContact CE1-CG1 3.9Å; F1142-I1183 HydrophobicContact CZ-CD1 3.85Å | ||
| 1143 | H | 78.8 | Confident | 65.6 | Low | 70 Ų | 70 | 63.1 Ų | 63.1 | 32% | 0.324 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 122.7 | 175.5 | -64.6 | 69.9 | 0 | 0 | 0 | 109.4 | E1141 F1145 L1155 | E1141-H1143 PolarHBondContact O-N 3.4Å; E1141-H1143 PolarHBondContact O-ND1 3.38Å; H1143-F1145 HydrophobicContact CB-CE2 3.71Å; H1143-F1145 HydrophobicContact CB-CZ 4.26Å; H1143-L1155 PolarHBondContact N-O 2.89Å; H1143-L1155 PolarHBondContact O-N 3.02Å |
| 1144 | Y | 83.3 | Confident | 67.3 | Low | 6 Ų | 6 | 59.7 Ų | 59.7 | 2% | 0.024 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 134.8 | -175.6 | -67.1 | -91.2 | 0 | 0 | 0 | 112.1 | E1121 F1142 I1152 I1153 F1408 V1410 F1415 L1419 | E1121-Y1144 WeakPolarHBondContact CG-OH 3.35Å; E1121-Y1144 WeakPolarHBondContact OE1-CE1 3.43Å; E1121-Y1144 PolarHBondContact OE1-OH 3.3Å; F1142-Y1144 HydrophobicContact CB-CE2 3.79Å; F1142-Y1144 VanDerWaalsContact O-CD2 3.31Å; F1142-Y1144 WeakPolarHBondContact O-CD2 3.36Å; F1142-Y1144 WeakPolarHBondContact O-CE2 3.46Å; Y1144-I1152 HydrophobicContact CD1-CG2 4.22Å; Y1144-I1153 WeakPolarHBondContact CA-O 3.44Å; Y1144-F1408 PolarHBondContact O-N 2.93Å; Y1144-V1410 HydrophobicContact CD2-CG1 4.18Å; Y1144-V1410 HydrophobicContact CD2-CG2 3.85Å; Y1144-V1410 HydrophobicContact CE2-CG1 4.38Å; Y1144-F1415 HydrophobicContact CD1-CE1 4.07Å; Y1144-F1415 AromaticContact CD1-CZ 3.89Å; Y1144-F1415 HydrophobicContact CD1-CZ 3.89Å; Y1144-F1415 AromaticContact CD2-CE1 3.56Å; Y1144-F1415 HydrophobicContact CD2-CE1 3.56Å; Y1144-F1415 HydrophobicContact CD2-CZ 4.07Å; Y1144-F1415 HydrophobicContact CE1-CE1 4.3Å; Y1144-F1415 HydrophobicContact CE1-CZ 4.42Å; Y1144-F1415 AromaticContact CE2-CE1 3.81Å; Y1144-F1415 HydrophobicContact CE2-CE1 3.81Å; Y1144-F1415 AromaticContact CG-CE1 3.66Å; Y1144-F1415 HydrophobicContact CG-CE1 3.66Å; Y1144-F1415 AromaticContact CG-CZ 3.65Å; Y1144-F1415 HydrophobicContact CG-CZ 3.65Å; Y1144-L1419 HydrophobicContact CD1-CD1 4.21Å; Y1144-L1419 HydrophobicContact CE1-CD1 3.52Å; Y1144-L1419 HydrophobicContact CE2-CD1 4.49Å |
| 1145 | F | 81.6 | Confident | 69.6 | Low | 14 Ų | 14 | 51.7 Ų | 51.7 | 6% | 0.061 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 156.5 | 177.8 | -59.8 | -89.7 | 0 | 0 | 0 | 110.8 | H1143 I1152 I1153 L1155 L1354 L1405 F1406 P1407 | H1143-F1145 HydrophobicContact CB-CE2 3.71Å; H1143-F1145 HydrophobicContact CB-CZ 4.26Å; F1145-I1152 CarbonylContact O-C 3.56Å; F1145-I1152 WeakPolarHBondContact O-CA 3.47Å; F1145-I1153 PolarHBondContact N-O 2.99Å; F1145-I1153 PolarHBondContact O-N 3.41Å; F1145-L1155 HydrophobicContact CD2-CD1 3.52Å; F1145-L1155 HydrophobicContact CD2-CG 4.32Å; F1145-L1155 HydrophobicContact CE2-CD1 3.55Å; F1145-L1155 HydrophobicContact CE2-CG 4.45Å; F1145-L1354 HydrophobicContact CE1-CD1 3.74Å; F1145-L1354 HydrophobicContact CE1-CD2 3.96Å; F1145-L1354 HydrophobicContact CZ-CD1 3.79Å; F1145-L1354 HydrophobicContact CZ-CD2 3.66Å; F1145-L1354 HydrophobicContact CZ-CG 4.36Å; F1145-L1405 HydrophobicContact CB-CD1 4.19Å; F1145-L1405 HydrophobicContact CB-CD2 3.9Å; F1145-L1405 HydrophobicContact CB-CG 3.79Å; F1145-L1405 HydrophobicContact CD1-CD2 3.61Å; F1145-L1405 HydrophobicContact CD1-CG 4.06Å; F1145-L1405 HydrophobicContact CD2-CD2 4.33Å; F1145-L1405 HydrophobicContact CE1-CD2 4.2Å; F1145-L1405 HydrophobicContact CG-CD2 3.67Å; F1145-L1405 HydrophobicContact CG-CG 4.09Å; F1145-F1406 CarbonylContact C-O 3.58Å; F1145-F1406 WeakPolarHBondContact CA-O 3.26Å; F1145-P1407 HydrophobicContact CD1-CB 4.28Å; F1145-P1407 HydrophobicContact CE1-CB 4.29Å |
| 1146 | W | 78 | Confident | 71.2 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.008 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 139.5 | 169.9 | -174.4 | 76.5 | 0 | 0 | 0 | 110.2 | E1148 L1151 L1405 F1406 F1408 A1701 | W1146-E1148 HydrophobicContact CE3-CG 4.32Å; W1146-E1148 HydrophobicContact CH2-CB 4.43Å; W1146-E1148 HydrophobicContact CH2-CG 3.14Å; W1146-E1148 VanDerWaalsContact CH2-OE1 3.29Å; W1146-E1148 WeakPolarHBondContact CH2-OE1 3.3Å; W1146-E1148 HydrophobicContact CZ2-CG 3.98Å; W1146-E1148 HydrophobicContact CZ3-CG 3.3Å; W1146-L1151 CarbonylContact C-O 3.56Å; W1146-L1151 VanDerWaalsContact CA-O 3.3Å; W1146-L1151 WeakPolarHBondContact CA-O 3.28Å; W1146-L1151 VanDerWaalsContact CD1-O 3.22Å; W1146-L1405 CarbonylContact O-C 3.59Å; W1146-L1405 WeakPolarHBondContact O-CA 3.44Å; W1146-F1406 HydrophobicContact CB-CB 4.49Å; W1146-F1406 HydrophobicContact CE3-CB 4.31Å; W1146-F1406 PolarHBondContact N-O 3.27Å; W1146-F1406 PolarHBondContact O-N 3.17Å; W1146-F1408 HydrophobicContact CB-CD2 3.99Å; W1146-F1408 HydrophobicContact CB-CE2 3.68Å; W1146-F1408 HydrophobicContact CG-CE2 4.18Å; W1146-A1701 HydrophobicContact CD2-CB 3.81Å; W1146-A1701 HydrophobicContact CG-CB 4.01Å; W1146-A1701 HydrophobicContact CH2-CB 4.32Å; W1146-A1701 HydrophobicContact CZ2-CB 3.53Å |
| 1147 | S | 75.9 | Confident | 72.9 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.007 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 141.8 | 174.9 | 165.5 | 0 | 0 | 0 | 0 | 109.6 | P1149 S1150 L1151 Y1342 P1404 | S1147-P1149 CarbonylContact O-C 3.25Å; S1147-S1150 PolarHBondContact O-N 2.81Å; S1147-L1151 PolarHBondContact N-O 3.23Å; S1147-L1151 PolarHBondContact O-N 3.47Å; S1147-Y1342 WeakPolarHBondContact OG-CE1 3.41Å; S1147-Y1342 PolarHBondContact OG-OH 3.28Å; S1147-P1404 WeakPolarHBondContact CA-O 3.47Å |
| 1148 | E | 65.5 | Low | 73.9 | Confident | 80 Ų | 80 | 32.5 Ų | 32.5 | 37% | 0.374 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | 141.1 | 162 | -69.8 | -166.5 | -174.6 | 0 | 0 | 110 | W1146 L1402 R1705 | W1146-E1148 HydrophobicContact CE3-CG 4.32Å; W1146-E1148 HydrophobicContact CH2-CB 4.43Å; W1146-E1148 HydrophobicContact CH2-CG 3.14Å; W1146-E1148 VanDerWaalsContact CH2-OE1 3.29Å; W1146-E1148 WeakPolarHBondContact CH2-OE1 3.3Å; W1146-E1148 HydrophobicContact CZ2-CG 3.98Å; W1146-E1148 HydrophobicContact CZ3-CG 3.3Å; E1148-L1402 WeakPolarHBondContact OE1-CD2 3.36Å; E1148-R1705 IonicContact OE1-CZ 2.89Å; E1148-R1705 IonicContact OE1-NH1 2.73Å; E1148-R1705 PolarHBondContact OE1-NH1 2.97Å; E1148-R1705 IonicContact OE1-NH2 3.98Å; E1148-R1705 PolarHBondContact OE1-NH2 3.49Å |
| 1149 | P | 58.3 | Low | 74.2 | Confident | 110 Ų | 110 | 34.6 Ų | 34.6 | 71% | 0.714 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -92.8 | 105.3 | -5 | 34.6 | -27 | 0 | 0 | 0 | 111.6 | S1147 | S1147-P1149 CarbonylContact O-C 3.25Š|
| 1150 | S | 74.1 | Confident | 74.2 | Confident | 9 Ų | 9 | 36.1 Ų | 36.1 | 6% | 0.063 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61 | 47.8 | 169 | -59.1 | 0 | 0 | 0 | 0 | 116.4 | S1147 L1697 | S1147-S1150 PolarHBondContact O-N 2.81Å; S1150-L1697 WeakPolarHBondContact O-CD1 3.48Å |
| 1151 | L | 84.4 | Confident | 74 | Confident | 43 Ų | 43 | 37.7 Ų | 37.7 | 23% | 0.225 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 140 | 167.6 | -60.3 | 178.4 | 0 | 0 | 0 | 111.2 | W1146 S1147 I1153 I1184 | W1146-L1151 CarbonylContact C-O 3.56Å; W1146-L1151 VanDerWaalsContact CA-O 3.3Å; W1146-L1151 WeakPolarHBondContact CA-O 3.28Å; W1146-L1151 VanDerWaalsContact CD1-O 3.22Å; S1147-L1151 PolarHBondContact N-O 3.23Å; S1147-L1151 PolarHBondContact O-N 3.47Å; L1151-I1153 HydrophobicContact CB-CG1 4.37Å; L1151-I1184 HydrophobicContact CD1-CG2 4.34Å; L1151-I1184 HydrophobicContact CD2-CG2 4.21Å |
| 1152 | I | 87.2 | Confident | 73.1 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 126.4 | 163.8 | -58.4 | 176.9 | 0 | 0 | 0 | 107.8 | Y1144 F1145 R1185 F1408 L1419 L1422 L1697 | Y1144-I1152 HydrophobicContact CD1-CG2 4.22Å; F1145-I1152 CarbonylContact O-C 3.56Å; F1145-I1152 WeakPolarHBondContact O-CA 3.47Å; I1152-R1185 HydrophobicContact CB-CB 4.26Å; I1152-R1185 PolarHBondContact N-O 3.37Å; I1152-R1185 PolarHBondContact O-N 3.48Å; I1152-F1408 HydrophobicContact CD1-CE2 3.97Å; I1152-F1408 HydrophobicContact CD1-CZ 4.08Å; I1152-F1408 HydrophobicContact CG1-CE2 3.83Å; I1152-F1408 HydrophobicContact CG1-CZ 4.4Å; I1152-F1408 HydrophobicContact CG2-CD2 4.46Å; I1152-F1408 HydrophobicContact CG2-CE2 4.47Å; I1152-L1419 HydrophobicContact CD1-CD2 4.35Å; I1152-L1419 HydrophobicContact CG2-CD2 4.32Å; I1152-L1422 HydrophobicContact CD1-CD2 4.01Å; I1152-L1697 HydrophobicContact CD1-CD2 3.76Å; I1152-L1697 HydrophobicContact CG1-CD2 3.74Å |
| 1153 | I | 85.8 | Confident | 71.7 | Confident | 7 Ų | 7 | 37.4 Ų | 37.4 | 4% | 0.036 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 107.8 | -174.4 | -53.7 | -178.9 | 0 | 0 | 0 | 108 | Y1144 F1145 L1151 L1155 L1182 I1183 Y1342 L1405 | Y1144-I1153 WeakPolarHBondContact CA-O 3.44Å; F1145-I1153 PolarHBondContact N-O 2.99Å; F1145-I1153 PolarHBondContact O-N 3.41Å; L1151-I1153 HydrophobicContact CB-CG1 4.37Å; I1153-L1155 HydrophobicContact CG2-CD1 4.48Å; I1153-L1155 HydrophobicContact CG2-CD2 4.13Å; I1153-L1155 HydrophobicContact CG2-CG 4.04Å; I1153-L1182 HydrophobicContact CG2-CD1 3.31Å; I1153-L1182 HydrophobicContact CG2-CG 4.39Å; I1153-I1183 WeakPolarHBondContact CA-O 2.87Å; I1153-Y1342 HydrophobicContact CD1-CE2 4.27Å; I1153-L1405 HydrophobicContact CD1-CD1 4.25Å |
| 1154 | G | 86.4 | Confident | 70.1 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 132.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | I1183 | G1154-I1183 PolarHBondContact N-O 3.34Å; G1154-I1183 PolarHBondContact O-N 3.23Å |
| 1155 | L | 85.9 | Confident | 68.5 | Low | 3 Ų | 3 | 41.8 Ų | 41.8 | 2% | 0.016 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 124.6 | -173.6 | -71.3 | 170.3 | 0 | 0 | 0 | 110.8 | F1142 H1143 F1145 I1153 L1182 I1333 L1337 | F1142-L1155 WeakPolarHBondContact CA-O 3.46Å; H1143-L1155 PolarHBondContact N-O 2.89Å; H1143-L1155 PolarHBondContact O-N 3.02Å; F1145-L1155 HydrophobicContact CD2-CD1 3.52Å; F1145-L1155 HydrophobicContact CD2-CG 4.32Å; F1145-L1155 HydrophobicContact CE2-CD1 3.55Å; F1145-L1155 HydrophobicContact CE2-CG 4.45Å; I1153-L1155 HydrophobicContact CG2-CD1 4.48Å; I1153-L1155 HydrophobicContact CG2-CD2 4.13Å; I1153-L1155 HydrophobicContact CG2-CG 4.04Å; L1155-L1182 HydrophobicContact CD2-CD1 3.25Å; L1155-L1182 HydrophobicContact CG-CD1 4.3Å; L1155-I1333 HydrophobicContact CB-CD1 3.88Å; L1155-I1333 HydrophobicContact CB-CG1 4.4Å; L1155-I1333 HydrophobicContact CB-CG2 4.34Å; L1155-I1333 HydrophobicContact CD1-CG2 3.58Å; L1155-I1333 HydrophobicContact CD2-CG1 4.23Å; L1155-I1333 HydrophobicContact CD2-CG2 3.85Å; L1155-I1333 HydrophobicContact CG-CG2 4.14Å; L1155-L1337 HydrophobicContact CD1-CD1 3.97Å; L1155-L1337 HydrophobicContact CD1-CD2 4.26Å; L1155-L1337 HydrophobicContact CD1-CG 4.4Å |
| 1156 | C | 82.7 | Confident | 66.8 | Low | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.007 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 137.7 | 173.8 | -166.9 | 0 | 0 | 0 | 0 | 110.8 | F1142 F1158 A1180 I1181 | F1142-C1156 HydrophobicContact CD1-CB 3.67Å; F1142-C1156 HydrophobicContact CD2-CB 4Å; F1142-C1156 HydrophobicContact CE1-CB 3.43Å; F1142-C1156 VanDerWaalsContact CE1-CB 3.43Å; F1142-C1156 HydrophobicContact CE2-CB 3.8Å; F1142-C1156 HydrophobicContact CG-CB 3.95Å; F1142-C1156 HydrophobicContact CZ-CB 3.51Å; C1156-F1158 HydrophobicContact CB-CE2 4.08Å; C1156-F1158 HydrophobicContact CB-CZ 4.13Å; C1156-F1158 WeakPolarHBondContact SG-CZ 3.48Å; C1156-A1180 WeakPolarHBondContact O-CA 3.43Å; C1156-I1181 PolarHBondContact N-O 3.47Å; C1156-I1181 PolarHBondContact O-N 3.08Å |
| 1157 | E | 76.6 | Confident | 65.3 | Low | 41 Ų | 41 | 47.9 Ų | 47.9 | 19% | 0.192 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 131.2 | -169.4 | -140.1 | 164.2 | -143.9 | 0 | 0 | 111.1 | H1331 P1332 I1333 | E1157-H1331 WeakPolarHBondContact OE1-CA 3.28Å; E1157-H1331 WeakPolarHBondContact OE1-CB 3.36Å; E1157-H1331 IonicContact OE2-CD2 2.64Å; E1157-H1331 PolarHBondContact OE2-CD2 3.34Å; E1157-H1331 IonicContact OE2-CG 3.65Å; E1157-P1332 HydrophobicContact CG-CG 3.78Å; E1157-P1332 VanDerWaalsContact OE1-CD 3.26Å; E1157-P1332 WeakPolarHBondContact OE1-CD 3.32Å; E1157-I1333 HydrophobicContact CB-CD1 3.51Å; E1157-I1333 HydrophobicContact CB-CG1 4.29Å; E1157-I1333 HydrophobicContact CG-CD1 3.6Å; E1157-I1333 HydrophobicContact CG-CG1 3.87Å; E1157-I1333 WeakPolarHBondContact OE1-CA 3.37Å; E1157-I1333 WeakPolarHBondContact OE1-CB 3.35Å; E1157-I1333 WeakPolarHBondContact OE1-CG1 3.41Å; E1157-I1333 PolarHBondContact OE1-N 2.81Å |
| 1158 | F | 70 | Confident | 63.8 | Low | 18 Ų | 18 | 54.3 Ų | 54.3 | 8% | 0.079 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 103.8 | -177.5 | -60.3 | -78.9 | 0 | 0 | 0 | 109.8 | I1128 C1156 T1160 A1179 I1181 | I1128-F1158 HydrophobicContact CD1-CE1 3.77Å; I1128-F1158 HydrophobicContact CD1-CE2 4.29Å; I1128-F1158 HydrophobicContact CD1-CZ 3.51Å; I1128-F1158 HydrophobicContact CG2-CD1 4.36Å; I1128-F1158 HydrophobicContact CG2-CE1 3.95Å; C1156-F1158 HydrophobicContact CB-CE2 4.08Å; C1156-F1158 HydrophobicContact CB-CZ 4.13Å; C1156-F1158 WeakPolarHBondContact SG-CZ 3.48Å; F1158-T1160 PolarHBondContact O-N 3.39Å; F1158-A1179 PolarHBondContact N-O 3.41Å; F1158-I1181 HydrophobicContact CD2-CD1 4.38Å; F1158-I1181 HydrophobicContact CD2-CG1 4.3Å; F1158-I1181 HydrophobicContact CE2-CB 4.18Å; F1158-I1181 HydrophobicContact CE2-CD1 3.52Å; F1158-I1181 HydrophobicContact CE2-CG1 3.67Å; F1158-I1181 HydrophobicContact CZ-CD1 4.04Å |
| 1159 | P | 54.2 | Low | 62.5 | Low | 81 Ų | 81 | 55.1 Ų | 55.1 | 53% | 0.526 | 32% | 0.318 | S | S | . | . | trans | -71.9 | -26.6 | -169.9 | 25.2 | -32.9 | 0 | 0 | 0 | 114.1 | ||||
| 1160 | T | 52.2 | Low | 61.5 | Low | 95 Ų | 95 | 60.1 Ų | 60.1 | 58% | 0.583 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -171.2 | 145 | 169.2 | 1.3 | 0 | 0 | 0 | 0 | 112.6 | F1158 S1162 | F1158-T1160 PolarHBondContact O-N 3.39Å; T1160-S1162 PolarHBondContact O-N 3.23Å |
| 1161 | N | 47.9 | Very low | 59.8 | Low | 109 Ų | 109 | 65.1 Ų | 65.1 | 58% | 0.583 | 36% | 0.358 | S | S | * | . | S | Bend | trans | 25.4 | 67.2 | 164.6 | -70.8 | 24.7 | 0 | 0 | 0 | 120.2 | D1176 | N1161-D1176 PolarHBondContact ND2-OD1 3.01Š|
| 1162 | S | 49.5 | Very low | 57.5 | Low | 49 Ų | 49 | 71.7 Ų | 71.7 | 34% | 0.343 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -118.7 | -3.4 | 156.2 | 57.6 | 0 | 0 | 0 | 0 | 114.4 | T1160 | T1160-S1162 PolarHBondContact O-N 3.23Š|
| 1163 | F | 47.1 | Very low | 55.4 | Low | 47 Ų | 47 | 76.2 Ų | 76.2 | 21% | 0.206 | 43% | 0.425 | C | S | . | . | S | Bend | trans | -96.1 | -13.5 | -167.7 | -144.4 | -97 | 0 | 0 | 0 | 115.4 | I1128 I1167 I1181 I1194 | I1128-F1163 HydrophobicContact CD1-CD2 4.13Å; I1128-F1163 HydrophobicContact CD1-CE2 3.66Å; I1128-F1163 HydrophobicContact CG1-CD2 3.88Å; I1128-F1163 HydrophobicContact CG1-CE2 3.62Å; F1163-I1167 HydrophobicContact CE1-CD1 4.14Å; F1163-I1167 HydrophobicContact CZ-CD1 4.26Å; F1163-I1181 HydrophobicContact CE2-CD1 3.77Å; F1163-I1181 HydrophobicContact CZ-CD1 4.17Å; F1163-I1194 HydrophobicContact CE1-CD1 4.05Å; F1163-I1194 HydrophobicContact CZ-CD1 3.83Å |
| 1164 | E | 46 | Very low | 53.3 | Low | 85 Ų | 85 | 80.6 Ų | 80.6 | 40% | 0.397 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -17.4 | -169.4 | -95.6 | -132.1 | 133.2 | 0 | 0 | 115.5 | K1168 | E1164-K1168 WeakPolarHBondContact OE1-CE 3.47Å; E1164-K1168 IonicContact OE1-NZ 3.91Å; E1164-K1168 PolarHBondContact OE1-NZ 3.49Å; E1164-K1168 IonicContact OE2-NZ 3.29Å; E1164-K1168 PolarHBondContact OE2-NZ 3.46Å |
| 1165 | S | 48.5 | Very low | 51.5 | Low | 82 Ų | 82 | 85.4 Ų | 85.4 | 57% | 0.573 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -35.5 | -177.2 | 53.5 | 0 | 0 | 0 | 0 | 113.1 | ||
| 1166 | A | 45.9 | Very low | 49.8 | Very low | 53 Ų | 53 | 88.9 Ų | 88.9 | 44% | 0.438 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -24.8 | -166.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | L1127 | L1127-A1166 WeakPolarHBondContact O-CB 3.29Š|
| 1167 | I | 47.2 | Very low | 48.7 | Very low | 91 Ų | 91 | 90.4 Ų | 90.4 | 47% | 0.467 | 52% | 0.52 | S | S | . | . | trans | -135.3 | 74 | -169.7 | -43.7 | -179.7 | 0 | 0 | 0 | 112.4 | F1163 | F1163-I1167 HydrophobicContact CE1-CD1 4.14Å; F1163-I1167 HydrophobicContact CZ-CD1 4.26Å | ||
| 1168 | K | 45.1 | Very low | 48 | Very low | 137 Ų | 137 | 89.5 Ų | 89.5 | 60% | 0.596 | 52% | 0.518 | S | S | * | . | trans | -110.8 | 104.7 | 168.7 | -89.5 | 179.6 | 175.9 | 165.8 | 0 | 113.4 | E1164 | E1164-K1168 WeakPolarHBondContact OE1-CE 3.47Å; E1164-K1168 IonicContact OE1-NZ 3.91Å; E1164-K1168 PolarHBondContact OE1-NZ 3.49Å; E1164-K1168 IonicContact OE2-NZ 3.29Å; E1164-K1168 PolarHBondContact OE2-NZ 3.46Å | ||
| 1169 | P | 38.3 | Very low | 48 | Very low | 97 Ų | 97 | 89 Ų | 89 | 63% | 0.63 | 52% | 0.517 | S | S | * | . | trans | -69.3 | 155.5 | 152.4 | 31.4 | -31.1 | 0 | 0 | 0 | 109.7 | T1171 | P1169-T1171 VanDerWaalsContact C-N 3.29Å; P1169-T1171 PolarHBondContact O-N 2.87Å | ||
| 1170 | K | 37.6 | Very low | 49.1 | Very low | 214 Ų | 214 | 85.1 Ų | 85.1 | 93% | 0.93 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -74.2 | 58.1 | -167.6 | -64.4 | -179.7 | 175.2 | 178 | 0 | 115.3 | ||
| 1171 | T | 38.2 | Very low | 50.6 | Low | 114 Ų | 114 | 80.8 Ų | 80.8 | 70% | 0.699 | 46% | 0.464 | S | S | * | . | trans | -128.5 | 124.3 | 173.8 | 46.6 | 0 | 0 | 0 | 0 | 112.2 | P1169 C1173 | P1169-T1171 VanDerWaalsContact C-N 3.29Å; P1169-T1171 PolarHBondContact O-N 2.87Å; T1171-C1173 PolarHBondContact O-N 2.9Å | ||
| 1172 | N | 35.9 | Very low | 52.3 | Low | 181 Ų | 181 | 75.7 Ų | 75.7 | 97% | 0.968 | 44% | 0.437 | S | S | * | . | trans | -76.2 | 78.3 | -174.7 | -66.5 | -13.9 | 0 | 0 | 0 | 111.9 | ||||
| 1173 | C | 42.7 | Very low | 54 | Low | 96 Ų | 96 | 73.4 Ų | 73.4 | 65% | 0.649 | 42% | 0.421 | S | S | * | . | trans | -133.1 | 89.9 | 170.6 | -157 | 0 | 0 | 0 | 0 | 110.6 | T1171 T1175 | T1171-C1173 PolarHBondContact O-N 2.9Å; C1173-T1175 PolarHBondContact O-N 2.78Å | ||
| 1174 | S | 41.6 | Very low | 55.9 | Low | 98 Ų | 98 | 72.4 Ų | 72.4 | 69% | 0.685 | 42% | 0.418 | S | S | * | . | trans | -78.8 | 106.5 | 170.7 | 52.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1175 | T | 49.6 | Very low | 57.9 | Low | 102 Ų | 102 | 68.5 Ų | 68.5 | 63% | 0.626 | 40% | 0.399 | S | S | * | . | trans | -136.1 | 92.9 | 169.6 | 51.5 | 0 | 0 | 0 | 0 | 109.9 | C1173 | C1173-T1175 PolarHBondContact O-N 2.78Š| ||
| 1176 | D | 49.8 | Very low | 59.8 | Low | 75 Ų | 75 | 64.8 Ų | 64.8 | 40% | 0.401 | 37% | 0.374 | S | S | . | . | trans | -66.6 | 125.9 | 175.8 | -62.8 | -70.6 | 0 | 0 | 0 | 111.3 | N1161 I1222 | N1161-D1176 PolarHBondContact ND2-OD1 3.01Å; D1176-I1222 HydrophobicContact CB-CD1 3.93Å | ||
| 1177 | G | 58.1 | Low | 61.7 | Low | 33 Ų | 33 | 63.3 Ų | 63.3 | 34% | 0.34 | 36% | 0.36 | S | S | . | . | trans | -170.7 | 150.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1178 | P | 62.1 | Low | 63.6 | Low | 23 Ų | 23 | 61.5 Ų | 61.5 | 15% | 0.149 | 35% | 0.349 | C | S | . | . | trans | -64.2 | 143.4 | -178.2 | 29.4 | -36.8 | 0 | 0 | 0 | 111 | M1197 F1330 P1332 | P1178-M1197 HydrophobicContact CG-CE 3.6Å; P1178-F1330 HydrophobicContact CG-CB 4.09Å; P1178-F1330 HydrophobicContact CG-CD1 3.86Å; P1178-F1330 HydrophobicContact CG-CG 4.23Å; P1178-P1332 HydrophobicContact CB-CG 4.32Å | ||
| 1179 | A | 70.8 | Confident | 65.4 | Low | 7 Ų | 7 | 55 Ų | 55 | 6% | 0.058 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 150.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | F1158 T1195 | F1158-A1179 PolarHBondContact N-O 3.41Å; A1179-T1195 VanDerWaalsContact CA-O 3.31Å; A1179-T1195 WeakPolarHBondContact CA-O 3.44Å |
| 1180 | A | 77.9 | Confident | 67.5 | Low | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 139.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | C1156 T1195 P1332 I1333 | C1156-A1180 WeakPolarHBondContact O-CA 3.43Å; A1180-T1195 PolarHBondContact N-O 3.36Å; A1180-T1195 PolarHBondContact O-N 2.9Å; A1180-T1195 PolarHBondContact O-OG1 3.01Å; A1180-P1332 HydrophobicContact CB-CB 4.11Å; A1180-P1332 HydrophobicContact CB-CG 4Å; A1180-I1333 HydrophobicContact CB-CG1 3.69Å |
| 1181 | I | 82 | Confident | 69.5 | Low | 3 Ų | 3 | 43.3 Ų | 43.3 | 2% | 0.015 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 131.8 | 172.2 | -61.8 | 179.1 | 0 | 0 | 0 | 108.6 | I1124 I1128 F1142 C1156 F1158 F1163 I1183 V1192 I1194 | I1124-I1181 HydrophobicContact CD1-CG2 4.31Å; I1124-I1181 HydrophobicContact CG2-CD1 3.57Å; I1128-I1181 HydrophobicContact CD1-CD1 3.99Å; F1142-I1181 HydrophobicContact CE1-CG2 4.3Å; F1142-I1181 HydrophobicContact CZ-CG2 4.3Å; C1156-I1181 PolarHBondContact N-O 3.47Å; C1156-I1181 PolarHBondContact O-N 3.08Å; F1158-I1181 HydrophobicContact CD2-CD1 4.38Å; F1158-I1181 HydrophobicContact CD2-CG1 4.3Å; F1158-I1181 HydrophobicContact CE2-CB 4.18Å; F1158-I1181 HydrophobicContact CE2-CD1 3.52Å; F1158-I1181 HydrophobicContact CE2-CG1 3.67Å; F1158-I1181 HydrophobicContact CZ-CD1 4.04Å; F1163-I1181 HydrophobicContact CE2-CD1 3.77Å; F1163-I1181 HydrophobicContact CZ-CD1 4.17Å; I1181-I1183 HydrophobicContact CG2-CG1 4.4Å; I1181-V1192 HydrophobicContact CG2-CG1 4.16Å; I1181-I1194 HydrophobicContact CG1-CG1 4.33Å; I1181-I1194 HydrophobicContact CG1-CG2 4.41Å |
| 1182 | L | 84.3 | Confident | 71.6 | Confident | 3 Ų | 3 | 39.3 Ų | 39.3 | 2% | 0.016 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 120.2 | -176.7 | -177.4 | 75.4 | 0 | 0 | 0 | 108.9 | I1153 L1155 I1184 V1192 W1193 L1336 | I1153-L1182 HydrophobicContact CG2-CD1 3.31Å; I1153-L1182 HydrophobicContact CG2-CG 4.39Å; L1155-L1182 HydrophobicContact CD2-CD1 3.25Å; L1155-L1182 HydrophobicContact CG-CD1 4.3Å; L1182-I1184 HydrophobicContact CD2-CD1 3.74Å; L1182-I1184 HydrophobicContact CD2-CG1 3.84Å; L1182-I1184 HydrophobicContact CG-CD1 4.3Å; L1182-I1184 HydrophobicContact CG-CG1 3.82Å; L1182-V1192 CarbonylContact O-C 3.59Å; L1182-V1192 WeakPolarHBondContact O-CA 3.43Å; L1182-W1193 HydrophobicContact CB-CB 4.32Å; L1182-W1193 HydrophobicContact CD2-CB 4.45Å; L1182-W1193 HydrophobicContact CD2-CD2 4.23Å; L1182-W1193 HydrophobicContact CD2-CE3 3.54Å; L1182-W1193 HydrophobicContact CD2-CZ3 4.14Å; L1182-W1193 PolarHBondContact N-O 3.27Å; L1182-W1193 PolarHBondContact O-N 3.38Å; L1182-L1336 HydrophobicContact CD1-CD2 4.5Å; L1182-L1336 HydrophobicContact CD2-CD2 4.39Å |
| 1183 | I | 86.5 | Confident | 73.6 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 102.1 | 175.3 | -55.7 | 179.3 | 0 | 0 | 0 | 108.3 | E1121 I1124 F1142 I1153 G1154 I1181 R1190 H1191 V1192 | E1121-I1183 HydrophobicContact CG-CD1 3.58Å; I1124-I1183 HydrophobicContact CD1-CD1 3.8Å; I1124-I1183 HydrophobicContact CD1-CG1 4.33Å; F1142-I1183 HydrophobicContact CD1-CD1 4.06Å; F1142-I1183 HydrophobicContact CE1-CD1 3.42Å; F1142-I1183 VanDerWaalsContact CE1-CD1 3.42Å; F1142-I1183 HydrophobicContact CE1-CG1 3.9Å; F1142-I1183 HydrophobicContact CZ-CD1 3.85Å; I1153-I1183 WeakPolarHBondContact CA-O 2.87Å; G1154-I1183 PolarHBondContact N-O 3.34Å; G1154-I1183 PolarHBondContact O-N 3.23Å; I1181-I1183 HydrophobicContact CG2-CG1 4.4Å; I1183-R1190 HydrophobicContact CG2-CG 3.86Å; I1183-H1191 CarbonylContact C-O 3.6Å; I1183-H1191 WeakPolarHBondContact CA-O 3.22Å; I1183-V1192 HydrophobicContact CG1-CG1 4.43Å; I1183-V1192 HydrophobicContact CG1-CG2 4.16Å; I1183-V1192 HydrophobicContact CG2-CG2 4.33Å |
| 1184 | I | 85.8 | Confident | 75.3 | Confident | 26 Ų | 26 | 36.3 Ų | 36.3 | 13% | 0.133 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 115.4 | 178.2 | -47.8 | 178.1 | 0 | 0 | 0 | 108.7 | L1151 L1182 R1190 H1191 W1193 | L1151-I1184 HydrophobicContact CD1-CG2 4.34Å; L1151-I1184 HydrophobicContact CD2-CG2 4.21Å; L1182-I1184 HydrophobicContact CD2-CD1 3.74Å; L1182-I1184 HydrophobicContact CD2-CG1 3.84Å; L1182-I1184 HydrophobicContact CG-CD1 4.3Å; L1182-I1184 HydrophobicContact CG-CG1 3.82Å; I1184-R1190 CarbonylContact O-C 3.55Å; I1184-R1190 WeakPolarHBondContact O-CA 3.45Å; I1184-H1191 PolarHBondContact N-O 2.75Å; I1184-H1191 PolarHBondContact O-N 2.77Å; I1184-W1193 HydrophobicContact CD1-CD2 4.18Å; I1184-W1193 HydrophobicContact CD1-CE3 3.99Å; I1184-W1193 HydrophobicContact CD1-CH2 3.83Å; I1184-W1193 HydrophobicContact CD1-CZ2 4.04Å; I1184-W1193 HydrophobicContact CD1-CZ3 3.81Å |
| 1185 | R | 88.4 | Confident | 76.9 | Confident | 3 Ų | 3 | 33.3 Ų | 33.3 | 1% | 0.011 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 119.2 | 166.5 | -67.5 | 177 | 175.2 | 86.8 | -3.1 | 108.9 | E1121 I1152 G1189 R1190 L1422 D1423 | E1121-R1185 IonicContact OE1-CZ 2.78Å; E1121-R1185 IonicContact OE1-NH1 3.34Å; E1121-R1185 PolarHBondContact OE1-NH1 3.28Å; E1121-R1185 IonicContact OE1-NH2 3.8Å; E1121-R1185 PolarHBondContact OE1-NH2 2.62Å; E1121-R1185 VanDerWaalsContact OE1-NH2 3.12Å; E1121-R1185 IonicContact OE2-CZ 2.69Å; E1121-R1185 IonicContact OE2-NH1 3.72Å; E1121-R1185 IonicContact OE2-NH2 2.88Å; E1121-R1185 PolarHBondContact OE2-NH2 3.35Å; I1152-R1185 HydrophobicContact CB-CB 4.26Å; I1152-R1185 PolarHBondContact N-O 3.37Å; I1152-R1185 PolarHBondContact O-N 3.48Å; R1185-G1189 WeakPolarHBondContact CA-O 3.1Å; R1185-R1190 HydrophobicContact CG-CB 4.18Å; R1185-R1190 HydrophobicContact CG-CG 4.01Å; R1185-L1422 HydrophobicContact CB-CD2 4.29Å; R1185-D1423 IonicContact CZ-OD2 3.58Å; R1185-D1423 VanDerWaalsContact CZ-OD2 3.29Å; R1185-D1423 IonicContact NE-OD1 3.98Å; R1185-D1423 PolarHBondContact NE-OD1 2.86Å; R1185-D1423 IonicContact NE-OD2 3Å; R1185-D1423 PolarHBondContact NE-OD2 2.78Å; R1185-D1423 IonicContact NH2-OD2 2.64Å; R1185-D1423 PolarHBondContact NH2-OD2 3.09Å |
| 1186 | G | 88.1 | Confident | 77.8 | Confident | 5 Ų | 5 | 33.7 Ų | 33.7 | 5% | 0.052 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | -170.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | F1188 G1189 R1693 L1697 | G1186-F1188 PolarHBondContact O-N 2.96Å; G1186-F1188 VanDerWaalsContact O-N 3.15Å; G1186-G1189 PolarHBondContact N-O 3.37Å; G1186-G1189 PolarHBondContact O-N 3.22Å; G1186-R1693 WeakPolarHBondContact O-CD 3.41Å; G1186-R1693 PolarHBondContact O-NE 2.91Å; G1186-L1697 VanDerWaalsContact C-CD1 3.4Å |
| 1187 | P | 87 | Confident | 78.4 | Confident | 21 Ų | 21 | 32.6 Ų | 32.6 | 14% | 0.136 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -30.5 | 179.2 | -29.5 | 37.1 | 0 | 0 | 0 | 114.5 | H1690 R1693 | P1187-H1690 HydrophobicContact CB-CB 4.26Å; P1187-H1690 VanDerWaalsContact O-CA 3.22Å; P1187-H1690 WeakPolarHBondContact O-CA 3.44Å; P1187-H1690 WeakPolarHBondContact O-CB 3.49Å; P1187-R1693 WeakPolarHBondContact O-CD 3.44Å |
| 1188 | F | 85.4 | Confident | 78.4 | Confident | 53 Ų | 53 | 40.9 Ų | 40.9 | 23% | 0.232 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 4.8 | -175.7 | -60.8 | -76.2 | 0 | 0 | 0 | 114.6 | E1093 A1094 S1097 G1186 T1427 H1690 | E1093-F1188 HydrophobicContact CB-CZ 4.47Å; A1094-F1188 HydrophobicContact CB-CE1 4.29Å; S1097-F1188 WeakPolarHBondContact OG-CD1 3.48Å; S1097-F1188 WeakPolarHBondContact OG-CD2 3.28Å; S1097-F1188 WeakPolarHBondContact OG-CG 3.45Å; G1186-F1188 PolarHBondContact O-N 2.96Å; G1186-F1188 VanDerWaalsContact O-N 3.15Å; F1188-T1427 VanDerWaalsContact O-CG2 3.26Å; F1188-T1427 WeakPolarHBondContact O-CG2 3.32Å; F1188-H1690 HydrophobicContact CD1-CB 3.67Å; F1188-H1690 HydrophobicContact CE1-CB 3.43Å; F1188-H1690 VanDerWaalsContact CE1-CB 3.43Å; F1188-H1690 AromaticContact CE1-CD2 3.9Å; F1188-H1690 AromaticContact CE1-CG 3.43Å; F1188-H1690 VanDerWaalsContact CE1-CG 3.43Å; F1188-H1690 AromaticContact CE1-ND1 3.84Å; F1188-H1690 HydrophobicContact CG-CB 4.41Å; F1188-H1690 HydrophobicContact CZ-CB 4.01Å; F1188-H1690 AromaticContact CZ-CD2 3.89Å; F1188-H1690 AromaticContact CZ-CG 3.89Å |
| 1189 | G | 83.4 | Confident | 77.7 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 125.5 | -154.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | R1185 G1186 | R1185-G1189 WeakPolarHBondContact CA-O 3.1Å; G1186-G1189 PolarHBondContact N-O 3.37Å; G1186-G1189 PolarHBondContact O-N 3.22Å |
| 1190 | R | 82.8 | Confident | 76.4 | Confident | 12 Ų | 12 | 50 Ų | 50 | 5% | 0.045 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 130.1 | 177.2 | -177.8 | 175.5 | 61.1 | -156.9 | 3.9 | 110.1 | C1116 S1117 Q1118 L1119 I1183 I1184 R1185 D1423 | C1116-R1190 WeakPolarHBondContact CB-O 3.29Å; S1117-R1190 WeakPolarHBondContact CB-O 3.42Å; S1117-R1190 PolarHBondContact N-O 3.48Å; S1117-R1190 PolarHBondContact O-NE 3.32Å; S1117-R1190 PolarHBondContact O-NH2 2.92Å; Q1118-R1190 VanDerWaalsContact C-NH2 3.35Å; Q1118-R1190 PolarHBondContact O-NH2 3.22Å; L1119-R1190 PolarHBondContact O-NE 2.86Å; L1119-R1190 VanDerWaalsContact O-NE 3.11Å; I1183-R1190 HydrophobicContact CG2-CG 3.86Å; I1184-R1190 CarbonylContact O-C 3.55Å; I1184-R1190 WeakPolarHBondContact O-CA 3.45Å; R1185-R1190 HydrophobicContact CG-CB 4.18Å; R1185-R1190 HydrophobicContact CG-CG 4.01Å; R1190-D1423 IonicContact CZ-OD2 2.7Å; R1190-D1423 IonicContact NE-OD2 3.64Å; R1190-D1423 IonicContact NH1-OD2 3.74Å; R1190-D1423 PolarHBondContact NH1-OD2 2.76Å |
| 1191 | H | 80.2 | Confident | 74.6 | Confident | 55 Ų | 55 | 54.5 Ų | 54.5 | 26% | 0.255 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 134.5 | 176.6 | -55.7 | -83.3 | 0 | 0 | 0 | 108.6 | I1183 I1184 | I1183-H1191 CarbonylContact C-O 3.6Å; I1183-H1191 WeakPolarHBondContact CA-O 3.22Å; I1184-H1191 PolarHBondContact N-O 2.75Å; I1184-H1191 PolarHBondContact O-N 2.77Å |
| 1192 | V | 80.9 | Confident | 72.6 | Confident | 30 Ų | 30 | 62.1 Ų | 62.1 | 18% | 0.182 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 120.2 | 179.9 | -179.7 | 0 | 0 | 0 | 0 | 107.8 | L1119 I1124 I1181 L1182 I1183 | L1119-V1192 HydrophobicContact CB-CG2 4.1Å; I1124-V1192 HydrophobicContact CD1-CG1 3.88Å; I1124-V1192 HydrophobicContact CD1-CG2 4.45Å; I1181-V1192 HydrophobicContact CG2-CG1 4.16Å; L1182-V1192 CarbonylContact O-C 3.59Å; L1182-V1192 WeakPolarHBondContact O-CA 3.43Å; I1183-V1192 HydrophobicContact CG1-CG1 4.43Å; I1183-V1192 HydrophobicContact CG1-CG2 4.16Å; I1183-V1192 HydrophobicContact CG2-CG2 4.33Å |
| 1193 | W | 79.4 | Confident | 70.4 | Confident | 138 Ų | 138 | 69.8 Ų | 69.8 | 52% | 0.523 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 142.1 | 175.9 | -59.2 | -14.3 | 0 | 0 | 0 | 109.4 | L1182 I1184 | L1182-W1193 HydrophobicContact CB-CB 4.32Å; L1182-W1193 HydrophobicContact CD2-CB 4.45Å; L1182-W1193 HydrophobicContact CD2-CD2 4.23Å; L1182-W1193 HydrophobicContact CD2-CE3 3.54Å; L1182-W1193 HydrophobicContact CD2-CZ3 4.14Å; L1182-W1193 PolarHBondContact N-O 3.27Å; L1182-W1193 PolarHBondContact O-N 3.38Å; I1184-W1193 HydrophobicContact CD1-CD2 4.18Å; I1184-W1193 HydrophobicContact CD1-CE3 3.99Å; I1184-W1193 HydrophobicContact CD1-CH2 3.83Å; I1184-W1193 HydrophobicContact CD1-CZ2 4.04Å; I1184-W1193 HydrophobicContact CD1-CZ3 3.81Å |
| 1194 | I | 77.7 | Confident | 68.1 | Low | 75 Ų | 75 | 72.8 Ų | 72.8 | 39% | 0.385 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 123.5 | 169.4 | -50.9 | -178.7 | 0 | 0 | 0 | 106.6 | F1163 I1181 H1196 | F1163-I1194 HydrophobicContact CE1-CD1 4.05Å; F1163-I1194 HydrophobicContact CZ-CD1 3.83Å; I1181-I1194 HydrophobicContact CG1-CG1 4.33Å; I1181-I1194 HydrophobicContact CG1-CG2 4.41Å; I1194-H1196 WeakPolarHBondContact CG2-NE2 3.28Å |
| 1195 | T | 74 | Confident | 65.4 | Low | 36 Ų | 36 | 77.3 Ų | 77.3 | 22% | 0.221 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 122.1 | 177.8 | 63.3 | 0 | 0 | 0 | 0 | 109.2 | A1179 A1180 L1336 | A1179-T1195 VanDerWaalsContact CA-O 3.31Å; A1179-T1195 WeakPolarHBondContact CA-O 3.44Å; A1180-T1195 PolarHBondContact N-O 3.36Å; A1180-T1195 PolarHBondContact O-N 2.9Å; A1180-T1195 PolarHBondContact O-OG1 3.01Å; T1195-L1336 HydrophobicContact CG2-CD1 4.26Å; T1195-L1336 HydrophobicContact CG2-CD2 4.06Å |
| 1196 | H | 69.5 | Low | 62.7 | Low | 110 Ų | 110 | 84.4 Ų | 84.4 | 51% | 0.509 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 134.2 | 174.3 | -65.3 | -90.9 | 0 | 0 | 0 | 108.9 | I1194 R1198 | I1194-H1196 WeakPolarHBondContact CG2-NE2 3.28Å; H1196-R1198 PolarHBondContact O-N 3.18Å |
| 1197 | M | 62.8 | Low | 60 | Low | 51 Ų | 51 | 89.1 Ų | 89.1 | 25% | 0.251 | 48% | 0.484 | S | S | . | . | trans | -74 | 98.1 | 173.9 | -174.7 | 173.1 | 37.4 | 0 | 0 | 110.4 | P1178 L1199 F1330 L1335 | P1178-M1197 HydrophobicContact CG-CE 3.6Å; M1197-L1199 HydrophobicContact CE-CD1 4.41Å; M1197-L1199 HydrophobicContact CG-CD1 4.39Å; M1197-L1199 HydrophobicContact CG-CG 4.25Å; M1197-L1199 PolarHBondContact O-N 2.75Å; M1197-L1199 HydrophobicContact SD-CD1 4.12Å; M1197-L1199 HydrophobicContact SD-CG 4.44Å; M1197-F1330 HydrophobicContact CE-CD1 3.42Å; M1197-F1330 VanDerWaalsContact CE-CD1 3.42Å; M1197-F1330 HydrophobicContact CE-CD2 4.06Å; M1197-F1330 HydrophobicContact CE-CE1 3.29Å; M1197-F1330 HydrophobicContact CE-CE2 3.93Å; M1197-F1330 HydrophobicContact CE-CG 3.83Å; M1197-F1330 HydrophobicContact CE-CZ 3.56Å; M1197-F1330 HydrophobicContact SD-CD1 4.3Å; M1197-F1330 HydrophobicContact SD-CE1 3.53Å; M1197-F1330 VanDerWaalsContact SD-CE1 3.53Å; M1197-F1330 HydrophobicContact SD-CE2 4.09Å; M1197-F1330 HydrophobicContact SD-CZ 3.41Å; M1197-F1330 WeakPolarHBondContact SD-CZ 3.36Å; M1197-L1335 HydrophobicContact SD-CD2 4.43Å | ||
| 1198 | R | 57.1 | Low | 57.3 | Low | 208 Ų | 208 | 95.7 Ų | 95.7 | 79% | 0.785 | 52% | 0.518 | S | S | * | . | trans | -82.1 | 111.9 | 171.9 | -74.5 | -175.3 | 173.1 | 175.4 | -0.8 | 110.5 | H1196 | H1196-R1198 PolarHBondContact O-N 3.18Š| ||
| 1199 | L | 48.6 | Very low | 54.8 | Low | 145 Ų | 145 | 99.1 Ų | 99.1 | 76% | 0.759 | 55% | 0.549 | S | S | * | . | trans | -102.5 | 6.8 | 174.7 | -84.2 | 165.4 | 0 | 0 | 0 | 114.1 | M1197 | M1197-L1199 HydrophobicContact CE-CD1 4.41Å; M1197-L1199 HydrophobicContact CG-CD1 4.39Å; M1197-L1199 HydrophobicContact CG-CG 4.25Å; M1197-L1199 PolarHBondContact O-N 2.75Å; M1197-L1199 HydrophobicContact SD-CD1 4.12Å; M1197-L1199 HydrophobicContact SD-CG 4.44Å | ||
| 1200 | S | 43.3 | Very low | 52.2 | Low | 75 Ų | 75 | 108.4 Ų | 108.4 | 52% | 0.524 | 59% | 0.593 | S | S | . | * | S | Bend | trans | -97.2 | 128.7 | 174.4 | 46.9 | 0 | 0 | 0 | 0 | 111 | ||
| 1201 | P | 39.1 | Very low | 49.7 | Very low | 96 Ų | 96 | 112.6 Ų | 112.6 | 62% | 0.623 | 62% | 0.624 | S | S | * | * | trans | -61.5 | 144.3 | 165.4 | 28.8 | -33.4 | 0 | 0 | 0 | 108.9 | L1203 | P1201-L1203 PolarHBondContact O-N 2.71Š| ||
| 1202 | L | 40.9 | Very low | 47.3 | Very low | 163 Ų | 163 | 116.6 Ų | 116.6 | 85% | 0.853 | 65% | 0.647 | S | S | * | * | trans | -61.6 | 111.6 | 168.5 | -78.2 | 89.6 | 0 | 0 | 0 | 107.6 | G1204 | L1202-G1204 PolarHBondContact O-N 3.34Š| ||
| 1203 | L | 38.1 | Very low | 45.2 | Very low | 163 Ų | 163 | 126.1 Ų | 126.1 | 85% | 0.853 | 68% | 0.681 | S | S | * | * | trans | -59.2 | 131.6 | 162.3 | -102.5 | 77.1 | 0 | 0 | 0 | 107.3 | P1201 | P1201-L1203 PolarHBondContact O-N 2.71Š| ||
| 1204 | G | 37.8 | Very low | 42.9 | Very low | 63 Ų | 63 | 124 Ų | 124 | 65% | 0.649 | 69% | 0.687 | S | S | * | * | trans | -55.7 | 144.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1202 D1206 | L1202-G1204 PolarHBondContact O-N 3.34Å; G1204-D1206 PolarHBondContact O-N 2.92Å | ||
| 1205 | S | 28.8 | Very low | 40.7 | Very low | 121 Ų | 121 | 127.3 Ų | 127.3 | 85% | 0.846 | 71% | 0.706 | S | S | * | * | trans | -71.6 | 62.2 | 168.8 | 173.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1206 | D | 32.9 | Very low | 38.8 | Very low | 153 Ų | 153 | 134.4 Ų | 134.4 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | trans | -101.2 | 84.6 | 168.2 | -75.7 | -36.5 | 0 | 0 | 0 | 109.1 | G1204 N1208 | G1204-D1206 PolarHBondContact O-N 2.92Å; D1206-N1208 PolarHBondContact O-N 3.21Å | ||
| 1207 | S | 30.2 | Very low | 37 | Very low | 103 Ų | 103 | 139.5 Ų | 139.5 | 72% | 0.72 | 76% | 0.757 | S | S | * | * | trans | -65.7 | 94.4 | 168.9 | 52.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1208 | N | 29.5 | Very low | 35.5 | Very low | 159 Ų | 159 | 145.3 Ų | 145.3 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | trans | -176.9 | 84.8 | 151.5 | -93.4 | -25.7 | 0 | 0 | 0 | 112.8 | D1206 | D1206-N1208 PolarHBondContact O-N 3.21Š| ||
| 1209 | S | 33.1 | Very low | 34.2 | Very low | 125 Ų | 125 | 144.1 Ų | 144.1 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | trans | 179.7 | 80.7 | 149.6 | 31.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 1210 | Q | 30.3 | Very low | 33.4 | Very low | 196 Ų | 196 | 143.7 Ų | 143.7 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | trans | -83 | 120 | 157.4 | -78.6 | -175.9 | -21 | 0 | 0 | 109.3 | ||||
| 1211 | S | 29.8 | Very low | 33 | Very low | 100 Ų | 100 | 145.1 Ų | 145.1 | 70% | 0.699 | 80% | 0.795 | S | S | * | * | trans | 178.3 | 144.1 | 134.1 | 39.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1212 | N | 29.2 | Very low | 32.8 | Very low | 138 Ų | 138 | 146.4 Ų | 146.4 | 74% | 0.738 | 80% | 0.796 | S | S | * | * | trans | 63.8 | 98.1 | 160.1 | -49.3 | -22.4 | 0 | 0 | 0 | 117.5 | ||||
| 1213 | Y | 36.8 | Very low | 32.5 | Very low | 231 Ų | 231 | 145.4 Ų | 145.4 | 91% | 0.906 | 79% | 0.791 | S | S | * | * | -171 | 142.3 | 87.3 | -103.2 | -82 | 0 | 0 | 0 | 111.5 | |||||
| 1214 | S | 30.8 | Very low | 32.5 | Very low | 93 Ų | 93 | 147 Ų | 147 | 65% | 0.65 | 79% | 0.786 | S | S | * | * | trans | -101 | 167.6 | 173.5 | 48 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1215 | D | 31.3 | Very low | 32.5 | Very low | 145 Ų | 145 | 148.4 Ų | 148.4 | 78% | 0.775 | 78% | 0.784 | S | S | * | * | trans | 72.6 | 93.5 | 170.7 | -54.4 | -38.8 | 0 | 0 | 0 | 117.2 | ||||
| 1216 | Q | 34.8 | Very low | 32.8 | Very low | 184 Ų | 184 | 152.1 Ų | 152.1 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | -169.5 | 139.8 | 107.1 | -99.5 | 168.4 | 35.5 | 0 | 0 | 111.8 | Q1218 | Q1216-Q1218 PolarHBondContact O-N 3.08Š| |||
| 1217 | K | 31.5 | Very low | 33.1 | Very low | 218 Ų | 218 | 148.5 Ų | 148.5 | 95% | 0.948 | 77% | 0.77 | S | S | * | * | trans | -77.3 | 114.3 | 169.2 | -72.7 | 177.1 | 176.2 | 177.9 | 0 | 108.6 | ||||
| 1218 | Q | 32.1 | Very low | 33.5 | Very low | 172 Ų | 172 | 152.5 Ų | 152.5 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | -141.7 | 136.5 | 165.6 | -147.3 | 167.9 | 27.2 | 0 | 0 | 109.3 | Q1216 V1220 | Q1216-Q1218 PolarHBondContact O-N 3.08Å; Q1218-V1220 PolarHBondContact O-N 3.45Å | ||
| 1219 | E | 29.5 | Very low | 34.1 | Very low | 184 Ų | 184 | 146 Ų | 146 | 86% | 0.86 | 74% | 0.74 | S | S | * | * | trans | -59.6 | 125.1 | -178.5 | -66.7 | 168.9 | 133.2 | 0 | 0 | 109.8 | V1221 | E1219-V1221 PolarHBondContact O-N 3.12Š| ||
| 1220 | V | 32.5 | Very low | 34.6 | Very low | 135 Ų | 135 | 142.8 Ų | 142.8 | 82% | 0.818 | 72% | 0.717 | S | S | * | * | trans | -77.1 | 80 | 178.2 | -175.3 | 0 | 0 | 0 | 0 | 108.5 | Q1218 I1222 | Q1218-V1220 PolarHBondContact O-N 3.45Å; V1220-I1222 PolarHBondContact O-N 3.26Å | ||
| 1221 | V | 34.1 | Very low | 35.4 | Very low | 105 Ų | 105 | 140.7 Ų | 140.7 | 64% | 0.636 | 71% | 0.705 | S | S | * | * | trans | -50.8 | 131.8 | 153 | 176.7 | 0 | 0 | 0 | 0 | 106.7 | E1219 N1223 | E1219-V1221 PolarHBondContact O-N 3.12Å; V1221-N1223 PolarHBondContact O-N 3.42Å | ||
| 1222 | I | 36.1 | Very low | 36.2 | Very low | 124 Ų | 124 | 137.6 Ų | 137.6 | 64% | 0.636 | 68% | 0.68 | S | S | * | * | trans | -64.4 | 83.6 | 177.2 | -57.7 | 171.1 | 0 | 0 | 0 | 108.2 | D1176 V1220 R1224 | D1176-I1222 HydrophobicContact CB-CD1 3.93Å; V1220-I1222 PolarHBondContact O-N 3.26Å; I1222-R1224 PolarHBondContact O-N 3.36Å | ||
| 1223 | N | 33.5 | Very low | 37.1 | Very low | 141 Ų | 141 | 136.5 Ų | 136.5 | 75% | 0.754 | 67% | 0.671 | S | S | * | * | trans | -63.7 | 110.7 | 170.4 | -81.1 | -43.8 | 0 | 0 | 0 | 106.4 | V1221 | V1221-N1223 PolarHBondContact O-N 3.42Š| ||
| 1224 | R | 37.8 | Very low | 37.7 | Very low | 196 Ų | 196 | 130.6 Ų | 130.6 | 74% | 0.74 | 65% | 0.647 | S | S | * | * | trans | -35 | 131.5 | 161.2 | -175.6 | -175.4 | -167.9 | -169.1 | 4 | 107.7 | I1222 K1226 | I1222-R1224 PolarHBondContact O-N 3.36Å; R1224-K1226 PolarHBondContact O-N 3.37Å | ||
| 1225 | P | 37.4 | Very low | 38.6 | Very low | 94 Ų | 94 | 128.5 Ų | 128.5 | 61% | 0.61 | 63% | 0.628 | S | S | * | * | trans | -48.2 | 124.7 | 179.5 | 19.3 | -31.9 | 0 | 0 | 0 | 108 | P1227 | P1225-P1227 WeakPolarHBondContact O-CA 3.44Š| ||
| 1226 | K | 35.9 | Very low | 39.6 | Very low | 198 Ų | 198 | 124.2 Ų | 124.2 | 86% | 0.861 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -38.5 | 117.1 | -177.3 | -79.2 | -175.5 | 176.3 | -178.3 | 0 | 106.8 | R1224 W1228 | R1224-K1226 PolarHBondContact O-N 3.37Å; K1226-W1228 WeakPolarHBondContact O-CA 3.36Å; K1226-W1228 PolarHBondContact O-N 3.07Å |
| 1227 | P | 38.6 | Very low | 40.3 | Very low | 78 Ų | 78 | 118.9 Ų | 118.9 | 51% | 0.506 | 58% | 0.584 | S | S | . | * | trans | -51.2 | 113.1 | -157.3 | 19.3 | -32.9 | 0 | 0 | 0 | 107.7 | P1225 G1229 | P1225-P1227 WeakPolarHBondContact O-CA 3.44Å; P1227-G1229 VanDerWaalsContact O-CA 3.28Å; P1227-G1229 WeakPolarHBondContact O-CA 3.47Å; P1227-G1229 PolarHBondContact O-N 3.26Å | ||
| 1228 | W | 38.7 | Very low | 41.1 | Very low | 187 Ų | 187 | 112 Ų | 112 | 71% | 0.708 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -30.7 | 105.4 | -163.1 | -115.8 | 21.5 | 0 | 0 | 0 | 110 | K1226 C1230 R1234 | K1226-W1228 WeakPolarHBondContact O-CA 3.36Å; K1226-W1228 PolarHBondContact O-N 3.07Å; W1228-C1230 WeakPolarHBondContact O-CA 3.45Å; W1228-C1230 PolarHBondContact O-N 2.85Å; W1228-R1234 VanDerWaalsContact CD2-NH1 3.27Å; W1228-R1234 VanDerWaalsContact CD2-NH2 3.29Å |
| 1229 | G | 42.7 | Very low | 42.1 | Very low | 23 Ų | 23 | 106.6 Ų | 106.6 | 24% | 0.237 | 54% | 0.539 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -26.4 | 111.9 | -152.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | P1227 E1233 R1234 | P1227-G1229 VanDerWaalsContact O-CA 3.28Å; P1227-G1229 WeakPolarHBondContact O-CA 3.47Å; P1227-G1229 PolarHBondContact O-N 3.26Å; G1229-E1233 WeakPolarHBondContact CA-OE2 3.26Å; G1229-R1234 WeakPolarHBondContact O-CG 3.37Å; G1229-R1234 PolarHBondContact O-N 3.32Å |
| 1230 | C | 43.9 | Very low | 43.3 | Very low | 57 Ų | 57 | 102.3 Ų | 102.3 | 39% | 0.385 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -43.9 | 153.1 | -142.9 | 64.1 | 0 | 0 | 0 | 0 | 112.4 | W1228 L1232 E1233 R1234 | W1228-C1230 WeakPolarHBondContact O-CA 3.45Å; W1228-C1230 PolarHBondContact O-N 2.85Å; C1230-L1232 CarbonylContact O-C 3.59Å; C1230-L1232 VanDerWaalsContact O-C 3.25Å; C1230-L1232 WeakPolarHBondContact O-CA 3.43Å; C1230-L1232 PolarHBondContact O-N 3.47Å; C1230-E1233 WeakPolarHBondContact O-CA 3.34Å; C1230-E1233 PolarHBondContact O-N 3.48Å; C1230-E1233 PolarHBondContact SG-N 3.43Å; C1230-R1234 PolarHBondContact O-N 3.21Å |
| 1231 | F | 47.1 | Very low | 43.8 | Very low | 151 Ų | 151 | 101 Ų | 101 | 66% | 0.662 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -42.8 | -36.5 | -177.4 | 177.8 | -99.7 | 0 | 0 | 0 | 112.8 | L1235 | F1231-L1235 HydrophobicContact CD1-CD1 4.26Å; F1231-L1235 HydrophobicContact CE1-CD1 3.48Å; F1231-L1235 VanDerWaalsContact CE1-CD1 3.48Å; F1231-L1235 HydrophobicContact CE2-CD1 4.22Å; F1231-L1235 HydrophobicContact CZ-CD1 3.47Å; F1231-L1235 VanDerWaalsContact CZ-CD1 3.47Å; F1231-L1235 WeakPolarHBondContact O-CB 3.27Å; F1231-L1235 PolarHBondContact O-N 2.97Å |
| 1232 | L | 45.7 | Very low | 44.3 | Very low | 36 Ų | 36 | 101.4 Ų | 101.4 | 19% | 0.188 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -56.5 | -58.7 | 165.2 | -136 | 74.6 | 0 | 0 | 0 | 117 | C1230 R1234 L1235 I1236 R1309 I1310 | C1230-L1232 CarbonylContact O-C 3.59Å; C1230-L1232 VanDerWaalsContact O-C 3.25Å; C1230-L1232 WeakPolarHBondContact O-CA 3.43Å; C1230-L1232 PolarHBondContact O-N 3.47Å; L1232-R1234 VanDerWaalsContact C-N 3.3Å; L1232-R1234 PolarHBondContact O-N 3.08Å; L1232-L1235 CarbonylContact O-C 3.57Å; L1232-L1235 PolarHBondContact O-N 3.18Å; L1232-I1236 HydrophobicContact CG-CD1 4.3Å; L1232-I1236 WeakPolarHBondContact O-CB 3.48Å; L1232-I1236 WeakPolarHBondContact O-CD1 3.24Å; L1232-I1236 WeakPolarHBondContact O-CG1 3.45Å; L1232-I1236 PolarHBondContact O-N 3.32Å; L1232-R1309 HydrophobicContact CD1-CB 3.54Å; L1232-R1309 HydrophobicContact CD1-CG 4.22Å; L1232-R1309 HydrophobicContact CD2-CB 3.8Å; L1232-R1309 HydrophobicContact CG-CB 4.3Å; L1232-I1310 HydrophobicContact CD2-CG1 4.08Å |
| 1233 | E | 49.3 | Very low | 44.7 | Very low | 115 Ų | 115 | 104.4 Ų | 104.4 | 54% | 0.537 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58.1 | -39.9 | 179.5 | -160.8 | 177 | -142.1 | 0 | 0 | 111.6 | G1229 C1230 T1237 | G1229-E1233 WeakPolarHBondContact CA-OE2 3.26Å; C1230-E1233 WeakPolarHBondContact O-CA 3.34Å; C1230-E1233 PolarHBondContact O-N 3.48Å; C1230-E1233 PolarHBondContact SG-N 3.43Å; E1233-T1237 WeakPolarHBondContact O-CB 3.5Å; E1233-T1237 PolarHBondContact O-N 2.91Å; E1233-T1237 PolarHBondContact O-OG1 2.89Å |
| 1234 | R | 49.1 | Very low | 45.4 | Very low | 106 Ų | 106 | 104.4 Ų | 104.4 | 40% | 0.4 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.2 | -40.2 | 170.3 | -87.5 | 178 | -176.1 | -173.9 | 5.8 | 113.4 | W1228 G1229 C1230 L1232 I1236 T1237 T1238 | W1228-R1234 VanDerWaalsContact CD2-NH1 3.27Å; W1228-R1234 VanDerWaalsContact CD2-NH2 3.29Å; G1229-R1234 WeakPolarHBondContact O-CG 3.37Å; G1229-R1234 PolarHBondContact O-N 3.32Å; C1230-R1234 PolarHBondContact O-N 3.21Å; L1232-R1234 VanDerWaalsContact C-N 3.3Å; L1232-R1234 PolarHBondContact O-N 3.08Å; R1234-I1236 VanDerWaalsContact C-N 3.33Å; R1234-T1237 PolarHBondContact O-N 3.45Å; R1234-T1238 VanDerWaalsContact O-CB 3.3Å; R1234-T1238 WeakPolarHBondContact O-CB 3.45Å; R1234-T1238 PolarHBondContact O-N 2.75Å; R1234-T1238 PolarHBondContact O-OG1 2.88Å |
| 1235 | L | 49 | Very low | 45.7 | Very low | 50 Ų | 50 | 98.7 Ų | 98.7 | 26% | 0.262 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.3 | -37.9 | 177.8 | -147.7 | 145.2 | 0 | 0 | 0 | 110.8 | F1231 L1232 T1238 V1239 V1306 | F1231-L1235 HydrophobicContact CD1-CD1 4.26Å; F1231-L1235 HydrophobicContact CE1-CD1 3.48Å; F1231-L1235 VanDerWaalsContact CE1-CD1 3.48Å; F1231-L1235 HydrophobicContact CE2-CD1 4.22Å; F1231-L1235 HydrophobicContact CZ-CD1 3.47Å; F1231-L1235 VanDerWaalsContact CZ-CD1 3.47Å; F1231-L1235 WeakPolarHBondContact O-CB 3.27Å; F1231-L1235 PolarHBondContact O-N 2.97Å; L1232-L1235 CarbonylContact O-C 3.57Å; L1232-L1235 PolarHBondContact O-N 3.18Å; L1235-T1238 PolarHBondContact O-N 2.94Å; L1235-V1239 HydrophobicContact CD2-CG2 3.76Å; L1235-V1239 VanDerWaalsContact O-CB 3.23Å; L1235-V1239 WeakPolarHBondContact O-CB 3.45Å; L1235-V1239 WeakPolarHBondContact O-CG2 3.2Å; L1235-V1239 PolarHBondContact O-N 2.77Å; L1235-V1306 HydrophobicContact CD2-CG2 3.42Å; L1235-V1306 VanDerWaalsContact CD2-CG2 3.42Å; L1235-V1306 HydrophobicContact CG-CG2 4.5Å |
| 1236 | I | 52.7 | Low | 46.1 | Very low | 55 Ų | 55 | 99 Ų | 99 | 28% | 0.282 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58 | -52 | 169.4 | -67.3 | 158.6 | 0 | 0 | 0 | 109.9 | L1232 R1234 T1238 V1239 T1240 V1306 I1310 | L1232-I1236 HydrophobicContact CG-CD1 4.3Å; L1232-I1236 WeakPolarHBondContact O-CB 3.48Å; L1232-I1236 WeakPolarHBondContact O-CD1 3.24Å; L1232-I1236 WeakPolarHBondContact O-CG1 3.45Å; L1232-I1236 PolarHBondContact O-N 3.32Å; R1234-I1236 VanDerWaalsContact C-N 3.33Å; I1236-T1238 VanDerWaalsContact C-N 3.34Å; I1236-T1238 PolarHBondContact O-N 3.33Å; I1236-V1239 PolarHBondContact O-N 2.78Å; I1236-T1240 HydrophobicContact CG2-CG2 4.49Å; I1236-T1240 WeakPolarHBondContact O-CB 3.19Å; I1236-T1240 WeakPolarHBondContact O-CG2 3.23Å; I1236-T1240 PolarHBondContact O-N 2.75Å; I1236-T1240 PolarHBondContact O-OG1 2.82Å; I1236-V1306 HydrophobicContact CD1-CG1 4.2Å; I1236-V1306 HydrophobicContact CG1-CG1 3.45Å; I1236-V1306 VanDerWaalsContact CG1-CG1 3.45Å; I1236-I1310 HydrophobicContact CD1-CD1 3.64Å; I1236-I1310 HydrophobicContact CD1-CG1 3.83Å; I1236-I1310 HydrophobicContact CG1-CD1 4.1Å |
| 1237 | T | 50 | Low | 46.5 | Very low | 71 Ų | 71 | 93.8 Ų | 93.8 | 44% | 0.436 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.4 | -37.4 | -179.6 | -48 | 0 | 0 | 0 | 0 | 112.3 | E1233 R1234 T1240 N1241 | E1233-T1237 WeakPolarHBondContact O-CB 3.5Å; E1233-T1237 PolarHBondContact O-N 2.91Å; E1233-T1237 PolarHBondContact O-OG1 2.89Å; R1234-T1237 PolarHBondContact O-N 3.45Å; T1237-T1240 PolarHBondContact O-OG1 3.2Å; T1237-N1241 WeakPolarHBondContact O-CA 3.27Å; T1237-N1241 WeakPolarHBondContact O-CB 3.18Å; T1237-N1241 PolarHBondContact O-N 2.92Å |
| 1238 | T | 48.5 | Very low | 46.9 | Very low | 75 Ų | 75 | 97.2 Ų | 97.2 | 46% | 0.46 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -76.5 | -28.4 | -179.3 | -47.1 | 0 | 0 | 0 | 0 | 112.2 | R1234 L1235 I1236 | R1234-T1238 VanDerWaalsContact O-CB 3.3Å; R1234-T1238 WeakPolarHBondContact O-CB 3.45Å; R1234-T1238 PolarHBondContact O-N 2.75Å; R1234-T1238 PolarHBondContact O-OG1 2.88Å; L1235-T1238 PolarHBondContact O-N 2.94Å; I1236-T1238 VanDerWaalsContact C-N 3.34Å; I1236-T1238 PolarHBondContact O-N 3.33Å |
| 1239 | V | 51.9 | Low | 47.7 | Very low | 57 Ų | 57 | 95.6 Ų | 95.6 | 35% | 0.345 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -85.3 | -28.7 | 176.2 | 172.1 | 0 | 0 | 0 | 0 | 112.2 | L1235 I1236 L1303 | L1235-V1239 HydrophobicContact CD2-CG2 3.76Å; L1235-V1239 VanDerWaalsContact O-CB 3.23Å; L1235-V1239 WeakPolarHBondContact O-CB 3.45Å; L1235-V1239 WeakPolarHBondContact O-CG2 3.2Å; L1235-V1239 PolarHBondContact O-N 2.77Å; I1236-V1239 PolarHBondContact O-N 2.78Å; V1239-L1303 HydrophobicContact CG1-CD2 3.52Å; V1239-L1303 HydrophobicContact CG1-CG 3.98Å |
| 1240 | T | 54 | Low | 47.9 | Very low | 94 Ų | 94 | 101.2 Ų | 101.2 | 58% | 0.577 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -86.8 | -35 | 176.7 | 52.6 | 0 | 0 | 0 | 0 | 113.3 | I1236 T1237 | I1236-T1240 HydrophobicContact CG2-CG2 4.49Å; I1236-T1240 WeakPolarHBondContact O-CB 3.19Å; I1236-T1240 WeakPolarHBondContact O-CG2 3.23Å; I1236-T1240 PolarHBondContact O-N 2.75Å; I1236-T1240 PolarHBondContact O-OG1 2.82Å; T1237-T1240 PolarHBondContact O-OG1 3.2Å |
| 1241 | N | 43.8 | Very low | 48.3 | Very low | 108 Ų | 108 | 102.5 Ų | 102.5 | 58% | 0.578 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -122.8 | 79.7 | -178.2 | -64.1 | -35.7 | 0 | 0 | 0 | 111.7 | T1237 | T1237-N1241 WeakPolarHBondContact O-CA 3.27Å; T1237-N1241 WeakPolarHBondContact O-CB 3.18Å; T1237-N1241 PolarHBondContact O-N 2.92Å |
| 1242 | N | 45.4 | Very low | 48.3 | Very low | 113 Ų | 113 | 103.6 Ų | 103.6 | 60% | 0.604 | 56% | 0.558 | S | S | * | * | trans | 158.4 | 137.1 | 135.2 | -88.6 | -54.2 | 0 | 0 | 0 | 113.2 | N1244 V1245 | N1242-N1244 VanDerWaalsContact C-N 3.28Å; N1242-V1245 HydrophobicContact CB-CB 4.41Å; N1242-V1245 HydrophobicContact CB-CG2 3.7Å; N1242-V1245 WeakPolarHBondContact ND2-CG2 3.36Å | ||
| 1243 | E | 44.5 | Very low | 48.8 | Very low | 188 Ų | 188 | 105 Ų | 105 | 88% | 0.879 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -79.6 | -7.8 | 160.6 | -67.5 | -168.9 | 131.5 | 0 | 0 | 113 | ||
| 1244 | N | 46.6 | Very low | 49.2 | Very low | 141 Ų | 141 | 103.5 Ų | 103.5 | 75% | 0.754 | 57% | 0.566 | S | S | * | * | trans | -131.2 | 28.5 | -164.5 | -72.4 | -45.4 | 0 | 0 | 0 | 116.6 | N1242 | N1242-N1244 VanDerWaalsContact C-N 3.28Š| ||
| 1245 | V | 45.6 | Very low | 49.6 | Very low | 75 Ų | 75 | 103.2 Ų | 103.2 | 46% | 0.455 | 58% | 0.58 | S | S | . | * | trans | -102.9 | 110.7 | 171.3 | 177.8 | 0 | 0 | 0 | 0 | 110.6 | N1242 | N1242-V1245 HydrophobicContact CB-CB 4.41Å; N1242-V1245 HydrophobicContact CB-CG2 3.7Å; N1242-V1245 WeakPolarHBondContact ND2-CG2 3.36Å | ||
| 1246 | P | 45 | Very low | 49.9 | Very low | 102 Ų | 102 | 106.8 Ų | 106.8 | 66% | 0.662 | 60% | 0.599 | S | S | * | * | trans | -70.6 | 155.4 | 176.8 | 29.1 | -34.1 | 0 | 0 | 0 | 112 | L1248 | P1246-L1248 PolarHBondContact O-N 3.09Š| ||
| 1247 | A | 45.5 | Very low | 50.4 | Low | 87 Ų | 87 | 109.1 Ų | 109.1 | 72% | 0.719 | 61% | 0.611 | S | S | * | * | trans | -63.4 | 120.5 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | N1249 | A1247-N1249 PolarHBondContact O-N 3.42Š| ||
| 1248 | L | 46.9 | Very low | 50.7 | Low | 150 Ų | 150 | 111 Ų | 111 | 79% | 0.785 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | 14.3 | -171.3 | -75.2 | 164.1 | 0 | 0 | 0 | 116.6 | P1246 F1250 | P1246-L1248 PolarHBondContact O-N 3.09Å; L1248-F1250 VanDerWaalsContact C-N 3.31Å |
| 1249 | N | 54.4 | Low | 51.4 | Low | 153 Ų | 153 | 112.8 Ų | 112.8 | 82% | 0.818 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -4.8 | 176.3 | -75.5 | -5.3 | 0 | 0 | 0 | 113.5 | A1247 | A1247-N1249 PolarHBondContact O-N 3.42Š|
| 1250 | F | 46.9 | Very low | 52.1 | Low | 141 Ų | 141 | 114.7 Ų | 114.7 | 62% | 0.618 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -127.9 | 143.9 | 173 | -65.6 | -70.2 | 0 | 0 | 0 | 110.1 | L1248 I1254 | L1248-F1250 VanDerWaalsContact C-N 3.31Å; F1250-I1254 HydrophobicContact CB-CB 4.34Å; F1250-I1254 HydrophobicContact CB-CD1 3.74Å; F1250-I1254 HydrophobicContact CB-CG2 4.06Å; F1250-I1254 HydrophobicContact CD1-CD1 3.34Å; F1250-I1254 HydrophobicContact CE1-CD1 4.07Å; F1250-I1254 HydrophobicContact CG-CD1 3.64Å |
| 1251 | P | 52.3 | Low | 52.5 | Low | 84 Ų | 84 | 117.8 Ų | 117.8 | 55% | 0.545 | 65% | 0.65 | S | S | . | * | trans | -64.1 | 150.6 | 175.7 | 28.4 | -34.9 | 0 | 0 | 0 | 110.6 | S1253 I1254 | P1251-S1253 PolarHBondContact O-N 3.08Å; P1251-I1254 WeakPolarHBondContact O-CB 3.36Å; P1251-I1254 PolarHBondContact O-N 3.07Å | ||
| 1252 | Q | 47.5 | Very low | 53.7 | Low | 175 Ų | 175 | 115.6 Ų | 115.6 | 82% | 0.818 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -55.2 | -25.4 | 177.8 | -76 | -179.2 | -29.2 | 0 | 0 | 112.9 | I1254 S1255 | Q1252-I1254 PolarHBondContact O-N 3.33Å; Q1252-I1254 VanDerWaalsContact O-N 3.15Å; Q1252-S1255 PolarHBondContact O-OG 2.87Å |
| 1253 | S | 55.8 | Low | 54.6 | Low | 66 Ų | 66 | 114.1 Ų | 114.1 | 46% | 0.462 | 64% | 0.64 | S | S | . | * | G | 310 helix | trans | -67.2 | -5.2 | 175.2 | 63.2 | 0 | 0 | 0 | 0 | 115 | P1251 S1255 D1256 I1257 | P1251-S1253 PolarHBondContact O-N 3.08Å; S1253-S1255 VanDerWaalsContact C-N 3.3Å; S1253-S1255 PolarHBondContact O-N 3.42Å; S1253-D1256 WeakPolarHBondContact O-CB 3.5Å; S1253-D1256 PolarHBondContact O-N 3.35Å; S1253-I1257 PolarHBondContact O-N 3.22Å |
| 1254 | I | 58.8 | Low | 55.3 | Low | 82 Ų | 82 | 111.5 Ų | 111.5 | 42% | 0.421 | 63% | 0.627 | S | S | . | * | G | 310 helix | trans | -71.5 | -26.4 | -179 | -141 | 166 | 0 | 0 | 0 | 112.5 | F1250 P1251 Q1252 D1256 I1257 | F1250-I1254 HydrophobicContact CB-CB 4.34Å; F1250-I1254 HydrophobicContact CB-CD1 3.74Å; F1250-I1254 HydrophobicContact CB-CG2 4.06Å; F1250-I1254 HydrophobicContact CD1-CD1 3.34Å; F1250-I1254 HydrophobicContact CE1-CD1 4.07Å; F1250-I1254 HydrophobicContact CG-CD1 3.64Å; P1251-I1254 WeakPolarHBondContact O-CB 3.36Å; P1251-I1254 PolarHBondContact O-N 3.07Å; Q1252-I1254 PolarHBondContact O-N 3.33Å; Q1252-I1254 VanDerWaalsContact O-N 3.15Å; I1254-D1256 VanDerWaalsContact C-N 3.27Å; I1254-I1257 HydrophobicContact CG1-CD1 3.68Å |
| 1255 | S | 55.9 | Low | 56.3 | Low | 100 Ų | 100 | 110.1 Ų | 110.1 | 70% | 0.699 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -75.8 | -15.2 | 168.3 | 46.4 | 0 | 0 | 0 | 0 | 113.4 | Q1252 S1253 | Q1252-S1255 PolarHBondContact O-OG 2.87Å; S1253-S1255 VanDerWaalsContact C-N 3.3Å; S1253-S1255 PolarHBondContact O-N 3.42Å |
| 1256 | D | 57.1 | Low | 56.9 | Low | 125 Ų | 125 | 113.8 Ų | 113.8 | 67% | 0.668 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -93 | -0.9 | 178 | -54.7 | -31.1 | 0 | 0 | 0 | 112.3 | S1253 I1254 P1258 | S1253-D1256 WeakPolarHBondContact O-CB 3.5Å; S1253-D1256 PolarHBondContact O-N 3.35Å; I1254-D1256 VanDerWaalsContact C-N 3.27Å; D1256-P1258 WeakPolarHBondContact O-CD 3.23Å |
| 1257 | I | 61.4 | Low | 57.6 | Low | 105 Ų | 105 | 112.6 Ų | 112.6 | 54% | 0.538 | 63% | 0.63 | S | S | . | * | S | Bend | trans | -71.6 | 117.6 | 172.8 | -60.9 | 178.6 | 0 | 0 | 0 | 107.9 | S1253 I1254 L1259 | S1253-I1257 PolarHBondContact O-N 3.22Å; I1254-I1257 HydrophobicContact CG1-CD1 3.68Å; I1257-L1259 PolarHBondContact O-N 2.93Å |
| 1258 | P | 56.2 | Low | 58.3 | Low | 111 Ų | 111 | 111.5 Ų | 111.5 | 72% | 0.721 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 122.7 | 175.1 | 27 | -32.9 | 0 | 0 | 0 | 109.4 | D1256 | D1256-P1258 WeakPolarHBondContact O-CD 3.23Š|
| 1259 | L | 63.9 | Low | 59 | Low | 112 Ų | 112 | 108.3 Ų | 108.3 | 59% | 0.586 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 137.2 | 176 | -65.5 | 171.7 | 0 | 0 | 0 | 110.3 | I1257 D1263 | I1257-L1259 PolarHBondContact O-N 2.93Å; L1259-D1263 HydrophobicContact CB-CB 4.14Å; L1259-D1263 HydrophobicContact CD2-CB 3.96Å |
| 1260 | V | 66.6 | Low | 59.3 | Low | 96 Ų | 96 | 105.1 Ų | 105.1 | 58% | 0.582 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 160.1 | 178.5 | -153.7 | 0 | 0 | 0 | 0 | 109.1 | A1262 D1263 H1264 | V1260-A1262 PolarHBondContact O-N 3.23Å; V1260-D1263 PolarHBondContact N-OD2 3.35Å; V1260-D1263 WeakPolarHBondContact O-CB 3.38Å; V1260-D1263 PolarHBondContact O-N 3.42Å; V1260-H1264 PolarHBondContact O-N 3.34Å |
| 1261 | E | 62.5 | Low | 60 | Low | 159 Ų | 159 | 106.3 Ų | 106.3 | 74% | 0.743 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -53 | -32.4 | 176.1 | -73.4 | -169.6 | 141.7 | 0 | 0 | 112.9 | D1263 H1264 T1265 | E1261-D1263 PolarHBondContact O-N 2.93Å; E1261-H1264 WeakPolarHBondContact O-CB 3.26Å; E1261-H1264 PolarHBondContact O-N 3.47Å; E1261-T1265 WeakPolarHBondContact O-CG2 3.46Å; E1261-T1265 PolarHBondContact O-N 2.98Å |
| 1262 | A | 68.7 | Low | 60.5 | Low | 63 Ų | 63 | 106.1 Ų | 106.1 | 52% | 0.521 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -59.6 | -41.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | V1260 H1264 T1265 | V1260-A1262 PolarHBondContact O-N 3.23Å; A1262-H1264 PolarHBondContact O-N 2.96Å; A1262-T1265 WeakPolarHBondContact O-CB 3.19Å; A1262-T1265 PolarHBondContact O-N 2.92Å; A1262-T1265 PolarHBondContact O-OG1 2.78Å |
| 1263 | D | 63.8 | Low | 60.9 | Low | 82 Ų | 82 | 98.9 Ų | 98.9 | 44% | 0.439 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67.9 | -28.9 | 178.3 | -55.6 | -48 | 0 | 0 | 0 | 111.5 | L1259 V1260 E1261 T1265 | L1259-D1263 HydrophobicContact CB-CB 4.14Å; L1259-D1263 HydrophobicContact CD2-CB 3.96Å; V1260-D1263 PolarHBondContact N-OD2 3.35Å; V1260-D1263 WeakPolarHBondContact O-CB 3.38Å; V1260-D1263 PolarHBondContact O-N 3.42Å; E1261-D1263 PolarHBondContact O-N 2.93Å; D1263-T1265 VanDerWaalsContact C-N 3.28Å; D1263-T1265 PolarHBondContact O-N 3.15Å |
| 1264 | H | 60.6 | Low | 61 | Low | 132 Ų | 132 | 99.8 Ų | 99.8 | 61% | 0.611 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -74.6 | -12.1 | 172.6 | -66.3 | -39 | 0 | 0 | 0 | 114 | V1260 E1261 A1262 | V1260-H1264 PolarHBondContact O-N 3.34Å; E1261-H1264 WeakPolarHBondContact O-CB 3.26Å; E1261-H1264 PolarHBondContact O-N 3.47Å; A1262-H1264 PolarHBondContact O-N 2.96Å |
| 1265 | T | 66.2 | Low | 60.9 | Low | 112 Ų | 112 | 104.1 Ų | 104.1 | 69% | 0.687 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -20.6 | 173.6 | 70.3 | 0 | 0 | 0 | 0 | 113.6 | E1261 A1262 D1263 P1267 | E1261-T1265 WeakPolarHBondContact O-CG2 3.46Å; E1261-T1265 PolarHBondContact O-N 2.98Å; A1262-T1265 WeakPolarHBondContact O-CB 3.19Å; A1262-T1265 PolarHBondContact O-N 2.92Å; A1262-T1265 PolarHBondContact O-OG1 2.78Å; D1263-T1265 VanDerWaalsContact C-N 3.28Å; D1263-T1265 PolarHBondContact O-N 3.15Å; T1265-P1267 WeakPolarHBondContact O-CD 3.19Å |
| 1266 | M | 59.1 | Low | 61 | Low | 152 Ų | 152 | 108.1 Ų | 108.1 | 75% | 0.749 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -83.1 | 112.2 | 172.4 | -77.2 | -176.2 | 59.6 | 0 | 0 | 110.2 | ||
| 1267 | P | 59.6 | Low | 61.4 | Low | 77 Ų | 77 | 104.9 Ų | 104.9 | 50% | 0.5 | 59% | 0.591 | S | S | . | * | trans | -72.8 | 137 | 178 | -5.7 | 22.8 | 0 | 0 | 0 | 109.4 | T1265 K1271 V1272 | T1265-P1267 WeakPolarHBondContact O-CD 3.19Å; P1267-K1271 HydrophobicContact CB-CB 3.9Å; P1267-V1272 HydrophobicContact CB-CG2 3.76Å; P1267-V1272 HydrophobicContact CG-CG2 4.06Å; P1267-V1272 WeakPolarHBondContact O-CG2 3.29Å | ||
| 1268 | S | 60.2 | Low | 61.9 | Low | 65 Ų | 65 | 101.3 Ų | 101.3 | 46% | 0.455 | 58% | 0.576 | S | S | . | * | trans | -50.4 | 148.3 | 168.8 | 54.3 | 0 | 0 | 0 | 0 | 110.8 | D1270 K1271 V1272 | S1268-D1270 PolarHBondContact O-N 3.47Å; S1268-K1271 WeakPolarHBondContact O-CA 3.45Å; S1268-K1271 PolarHBondContact O-N 3.14Å; S1268-K1271 WeakPolarHBondContact OG-CG 3.36Å; S1268-V1272 PolarHBondContact O-N 3.07Å | ||
| 1269 | L | 61.8 | Low | 62.6 | Low | 82 Ų | 82 | 101.6 Ų | 101.6 | 43% | 0.429 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -57.2 | -16.7 | -175.5 | -157.5 | 69.7 | 0 | 0 | 0 | 114.5 | R1281 I1284 K1288 | L1269-R1281 PolarHBondContact O-NH1 3.02Å; L1269-I1284 HydrophobicContact CD2-CG2 3.95Å; L1269-I1284 HydrophobicContact CG-CG2 3.87Å; L1269-K1288 HydrophobicContact CD2-CG 4.15Å |
| 1270 | D | 60.6 | Low | 62.8 | Low | 87 Ų | 87 | 99.9 Ų | 99.9 | 47% | 0.465 | 57% | 0.565 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.1 | -8.2 | 173.5 | -67.3 | -55.6 | 0 | 0 | 0 | 115.4 | S1268 R1281 K1288 | S1268-D1270 PolarHBondContact O-N 3.47Å; D1270-R1281 IonicContact OD1-CZ 3.25Å; D1270-R1281 VanDerWaalsContact OD1-CZ 3.25Å; D1270-R1281 IonicContact OD1-NH1 2.87Å; D1270-R1281 PolarHBondContact OD1-NH1 3.31Å; D1270-R1281 IonicContact OD1-NH2 2.71Å; D1270-R1281 PolarHBondContact OD1-NH2 2.8Å; D1270-K1288 IonicContact OD1-NZ 3.97Å; D1270-K1288 PolarHBondContact OD1-NZ 3.18Å; D1270-K1288 IonicContact OD2-NZ 2.75Å; D1270-K1288 PolarHBondContact OD2-NZ 3.11Å |
| 1271 | K | 62 | Low | 63.1 | Low | 166 Ų | 166 | 98.1 Ų | 98.1 | 72% | 0.722 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | -14.9 | 170.3 | -72.6 | 179.8 | 179.7 | -179.9 | 0 | 113.6 | P1267 S1268 G1273 | P1267-K1271 HydrophobicContact CB-CB 3.9Å; S1268-K1271 WeakPolarHBondContact O-CA 3.45Å; S1268-K1271 PolarHBondContact O-N 3.14Å; S1268-K1271 WeakPolarHBondContact OG-CG 3.36Å; K1271-G1273 VanDerWaalsContact C-N 3.33Å |
| 1272 | V | 62.5 | Low | 63.7 | Low | 79 Ų | 79 | 96.2 Ų | 96.2 | 48% | 0.479 | 54% | 0.539 | S | S | . | . | S | Bend | trans | -80.8 | -14.2 | 178 | -175.3 | 0 | 0 | 0 | 0 | 112.2 | P1267 S1268 | P1267-V1272 HydrophobicContact CB-CG2 3.76Å; P1267-V1272 HydrophobicContact CG-CG2 4.06Å; P1267-V1272 WeakPolarHBondContact O-CG2 3.29Å; S1268-V1272 PolarHBondContact O-N 3.07Å |
| 1273 | G | 56.6 | Low | 64 | Low | 24 Ų | 24 | 99.7 Ų | 99.7 | 25% | 0.247 | 55% | 0.545 | C | S | . | . | trans | -93.3 | 125.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | K1271 | K1271-G1273 VanDerWaalsContact C-N 3.33Š| ||
| 1274 | S | 56.1 | Low | 64.5 | Low | 84 Ų | 84 | 96.7 Ų | 96.7 | 59% | 0.587 | 53% | 0.529 | S | S | * | . | trans | -70.5 | 174.3 | 161.1 | 52 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1275 | E | 57.3 | Low | 65.2 | Low | 174 Ų | 174 | 94 Ų | 94 | 81% | 0.813 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -36.2 | 150.8 | -167 | -61.3 | -179.2 | 162.8 | 0 | 0 | 117.6 | G1277 S1278 | E1275-G1277 PolarHBondContact O-N 3.01Å; E1275-S1278 PolarHBondContact O-N 3.25Å |
| 1276 | L | 58.6 | Low | 65.9 | Low | 184 Ų | 184 | 91.3 Ų | 91.3 | 96% | 0.963 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | 111.6 | 179.2 | -84.2 | 90.1 | 0 | 0 | 0 | 111.1 | ||
| 1277 | G | 65.8 | Low | 66.8 | Low | 56 Ų | 56 | 90.4 Ų | 90.4 | 58% | 0.577 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 126.8 | -13.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | E1275 | E1275-G1277 PolarHBondContact O-N 3.01Š|
| 1278 | S | 70.3 | Confident | 67.6 | Low | 30 Ų | 30 | 89.9 Ų | 89.9 | 21% | 0.21 | 49% | 0.49 | C | S | . | . | trans | -63.5 | 143 | 178 | 65.8 | 0 | 0 | 0 | 0 | 113 | E1275 V1280 R1281 Q1282 | E1275-S1278 PolarHBondContact O-N 3.25Å; S1278-V1280 PolarHBondContact O-N 3.14Å; S1278-R1281 WeakPolarHBondContact O-CB 3.34Å; S1278-R1281 PolarHBondContact O-N 3.28Å; S1278-R1281 WeakPolarHBondContact OG-CB 3.44Å; S1278-R1281 PolarHBondContact OG-N 3.16Å; S1278-Q1282 PolarHBondContact O-N 3.34Å; S1278-Q1282 VanDerWaalsContact O-N 3.11Å | ||
| 1279 | N | 71.5 | Confident | 68.5 | Low | 117 Ų | 117 | 90.9 Ų | 90.9 | 63% | 0.626 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -54.7 | -38.6 | 176.1 | -79.7 | 2.6 | 0 | 0 | 0 | 111.9 | R1281 Q1282 E1283 | N1279-R1281 VanDerWaalsContact C-N 3.28Å; N1279-R1281 PolarHBondContact O-N 3.02Å; N1279-Q1282 CarbonylContact O-C 3.59Å; N1279-Q1282 WeakPolarHBondContact O-CA 3.33Å; N1279-Q1282 WeakPolarHBondContact O-CB 3.35Å; N1279-Q1282 PolarHBondContact O-N 2.74Å; N1279-E1283 PolarHBondContact O-N 2.99Å |
| 1280 | V | 68.5 | Low | 69.4 | Low | 77 Ų | 77 | 92.1 Ų | 92.1 | 47% | 0.467 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.6 | -36.9 | 176.7 | -176.2 | 0 | 0 | 0 | 0 | 111.4 | S1278 E1283 I1284 | S1278-V1280 PolarHBondContact O-N 3.14Å; V1280-E1283 PolarHBondContact O-N 2.94Å; V1280-I1284 HydrophobicContact CG1-CD1 4.1Å; V1280-I1284 WeakPolarHBondContact O-CB 3.36Å; V1280-I1284 VanDerWaalsContact O-CG1 3.26Å; V1280-I1284 WeakPolarHBondContact O-CG1 3.47Å; V1280-I1284 PolarHBondContact O-N 3.31Å |
| 1281 | R | 73.5 | Confident | 70.2 | Confident | 58 Ų | 58 | 92.6 Ų | 92.6 | 22% | 0.219 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -72.3 | -32.6 | 174.9 | -164.5 | 64.6 | 169.6 | 156 | 3.3 | 112.1 | L1269 D1270 S1278 N1279 N1285 | L1269-R1281 PolarHBondContact O-NH1 3.02Å; D1270-R1281 IonicContact OD1-CZ 3.25Å; D1270-R1281 VanDerWaalsContact OD1-CZ 3.25Å; D1270-R1281 IonicContact OD1-NH1 2.87Å; D1270-R1281 PolarHBondContact OD1-NH1 3.31Å; D1270-R1281 IonicContact OD1-NH2 2.71Å; D1270-R1281 PolarHBondContact OD1-NH2 2.8Å; S1278-R1281 WeakPolarHBondContact O-CB 3.34Å; S1278-R1281 PolarHBondContact O-N 3.28Å; S1278-R1281 WeakPolarHBondContact OG-CB 3.44Å; S1278-R1281 PolarHBondContact OG-N 3.16Å; N1279-R1281 VanDerWaalsContact C-N 3.28Å; N1279-R1281 PolarHBondContact O-N 3.02Å; R1281-N1285 WeakPolarHBondContact O-CB 3.25Å; R1281-N1285 PolarHBondContact O-N 3.41Å; R1281-N1285 PolarHBondContact O-ND2 2.85Å |
| 1282 | Q | 73.6 | Confident | 71 | Confident | 120 Ų | 120 | 89.3 Ų | 89.3 | 56% | 0.561 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.5 | -43.5 | 171.4 | -63.6 | -172.5 | 6.7 | 0 | 0 | 111.7 | S1278 N1279 N1285 A1286 | S1278-Q1282 PolarHBondContact O-N 3.34Å; S1278-Q1282 VanDerWaalsContact O-N 3.11Å; N1279-Q1282 CarbonylContact O-C 3.59Å; N1279-Q1282 WeakPolarHBondContact O-CA 3.33Å; N1279-Q1282 WeakPolarHBondContact O-CB 3.35Å; N1279-Q1282 PolarHBondContact O-N 2.74Å; Q1282-N1285 PolarHBondContact O-N 3.47Å; Q1282-A1286 WeakPolarHBondContact O-CB 3.43Å; Q1282-A1286 PolarHBondContact O-N 3.33Å |
| 1283 | E | 75.5 | Confident | 71.9 | Confident | 135 Ų | 135 | 89.3 Ų | 89.3 | 63% | 0.631 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.9 | -45 | 174.2 | -72.8 | 176.2 | 180 | 0 | 0 | 111.6 | N1279 V1280 N1285 A1286 F1287 | N1279-E1283 PolarHBondContact O-N 2.99Å; V1280-E1283 PolarHBondContact O-N 2.94Å; E1283-N1285 VanDerWaalsContact C-N 3.31Å; E1283-N1285 PolarHBondContact O-N 3.14Å; E1283-A1286 PolarHBondContact O-N 3.43Å; E1283-F1287 WeakPolarHBondContact O-CB 3.36Å; E1283-F1287 PolarHBondContact O-N 2.97Å |
| 1284 | I | 74.3 | Confident | 72.8 | Confident | 20 Ų | 20 | 93.9 Ų | 93.9 | 10% | 0.103 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -59.3 | -41.3 | 173.7 | -73.4 | 166.6 | 0 | 0 | 0 | 111.4 | L1269 V1280 F1287 K1288 | L1269-I1284 HydrophobicContact CD2-CG2 3.95Å; L1269-I1284 HydrophobicContact CG-CG2 3.87Å; V1280-I1284 HydrophobicContact CG1-CD1 4.1Å; V1280-I1284 WeakPolarHBondContact O-CB 3.36Å; V1280-I1284 VanDerWaalsContact O-CG1 3.26Å; V1280-I1284 WeakPolarHBondContact O-CG1 3.47Å; V1280-I1284 PolarHBondContact O-N 3.31Å; I1284-F1287 PolarHBondContact O-N 2.96Å; I1284-K1288 WeakPolarHBondContact O-CG 3.41Å; I1284-K1288 PolarHBondContact O-N 3.46Å |
| 1285 | N | 75.7 | Confident | 73.7 | Confident | 76 Ų | 76 | 92.7 Ų | 92.7 | 41% | 0.406 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.7 | -39 | 177.3 | -73.9 | -15.1 | 0 | 0 | 0 | 112.2 | R1281 Q1282 E1283 F1287 K1288 T1289 | R1281-N1285 WeakPolarHBondContact O-CB 3.25Å; R1281-N1285 PolarHBondContact O-N 3.41Å; R1281-N1285 PolarHBondContact O-ND2 2.85Å; Q1282-N1285 PolarHBondContact O-N 3.47Å; E1283-N1285 VanDerWaalsContact C-N 3.31Å; E1283-N1285 PolarHBondContact O-N 3.14Å; N1285-F1287 VanDerWaalsContact C-N 3.3Å; N1285-F1287 PolarHBondContact O-N 2.93Å; N1285-K1288 PolarHBondContact O-N 2.91Å; N1285-T1289 WeakPolarHBondContact O-CB 3.09Å; N1285-T1289 PolarHBondContact O-N 3.36Å; N1285-T1289 PolarHBondContact O-OG1 3.02Å |
| 1286 | A | 80.5 | Confident | 74.6 | Confident | 55 Ų | 55 | 87.8 Ų | 87.8 | 46% | 0.455 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62 | -40.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111 | Q1282 E1283 T1289 L1290 | Q1282-A1286 WeakPolarHBondContact O-CB 3.43Å; Q1282-A1286 PolarHBondContact O-N 3.33Å; E1283-A1286 PolarHBondContact O-N 3.43Å; A1286-T1289 WeakPolarHBondContact O-CB 3.17Å; A1286-T1289 PolarHBondContact O-N 3.44Å; A1286-L1290 WeakPolarHBondContact O-CB 3.48Å; A1286-L1290 PolarHBondContact O-N 2.88Å |
| 1287 | F | 77.9 | Confident | 75.5 | Confident | 132 Ų | 132 | 83.5 Ų | 83.5 | 58% | 0.579 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -68.2 | -43.5 | 176.7 | -149 | -96.4 | 0 | 0 | 0 | 112.2 | E1283 I1284 N1285 T1289 L1290 I1291 | E1283-F1287 WeakPolarHBondContact O-CB 3.36Å; E1283-F1287 PolarHBondContact O-N 2.97Å; I1284-F1287 PolarHBondContact O-N 2.96Å; N1285-F1287 VanDerWaalsContact C-N 3.3Å; N1285-F1287 PolarHBondContact O-N 2.93Å; F1287-T1289 VanDerWaalsContact C-N 3.28Å; F1287-T1289 PolarHBondContact O-N 2.95Å; F1287-L1290 PolarHBondContact O-N 2.84Å; F1287-I1291 HydrophobicContact CD1-CD1 3.64Å; F1287-I1291 HydrophobicContact CD1-CG1 4.22Å; F1287-I1291 HydrophobicContact CE1-CD1 3.88Å; F1287-I1291 HydrophobicContact CE1-CG1 4.33Å; F1287-I1291 VanDerWaalsContact O-CG1 3.31Å; F1287-I1291 WeakPolarHBondContact O-CG1 3.31Å; F1287-I1291 PolarHBondContact O-N 3.49Å |
| 1288 | K | 77.1 | Confident | 75.7 | Confident | 67 Ų | 67 | 85 Ų | 85 | 29% | 0.291 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -56.9 | -42.2 | 169.9 | -77.8 | -176 | 173.6 | -170.4 | 0 | 111.3 | L1269 D1270 I1284 N1285 T1292 | L1269-K1288 HydrophobicContact CD2-CG 4.15Å; D1270-K1288 IonicContact OD1-NZ 3.97Å; D1270-K1288 PolarHBondContact OD1-NZ 3.18Å; D1270-K1288 IonicContact OD2-NZ 2.75Å; D1270-K1288 PolarHBondContact OD2-NZ 3.11Å; I1284-K1288 WeakPolarHBondContact O-CG 3.41Å; I1284-K1288 PolarHBondContact O-N 3.46Å; N1285-K1288 PolarHBondContact O-N 2.91Å; K1288-T1292 PolarHBondContact O-N 2.78Å; K1288-T1292 VanDerWaalsContact O-N 3.08Å; K1288-T1292 PolarHBondContact O-OG1 3.11Å |
| 1289 | T | 79.5 | Confident | 75.7 | Confident | 85 Ų | 85 | 90 Ų | 90 | 52% | 0.521 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.3 | -48.8 | 176.6 | -51.1 | 0 | 0 | 0 | 0 | 110.5 | N1285 A1286 F1287 I1291 T1292 T1293 | N1285-T1289 WeakPolarHBondContact O-CB 3.09Å; N1285-T1289 PolarHBondContact O-N 3.36Å; N1285-T1289 PolarHBondContact O-OG1 3.02Å; A1286-T1289 WeakPolarHBondContact O-CB 3.17Å; A1286-T1289 PolarHBondContact O-N 3.44Å; F1287-T1289 VanDerWaalsContact C-N 3.28Å; F1287-T1289 PolarHBondContact O-N 2.95Å; T1289-I1291 PolarHBondContact O-N 3.49Å; T1289-T1292 WeakPolarHBondContact O-CA 3.39Å; T1289-T1292 WeakPolarHBondContact O-CB 3.43Å; T1289-T1292 PolarHBondContact O-N 2.95Å; T1289-T1293 PolarHBondContact O-N 3.48Å; T1289-T1293 PolarHBondContact O-OG1 3.22Å |
| 1290 | L | 81.1 | Confident | 75.9 | Confident | 109 Ų | 109 | 88.7 Ų | 88.7 | 57% | 0.571 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -57.4 | -45 | 177.2 | -111 | 165.5 | 0 | 0 | 0 | 112.8 | A1286 F1287 T1292 T1293 H1294 | A1286-L1290 WeakPolarHBondContact O-CB 3.48Å; A1286-L1290 PolarHBondContact O-N 2.88Å; F1287-L1290 PolarHBondContact O-N 2.84Å; L1290-T1292 VanDerWaalsContact C-N 3.3Å; L1290-T1292 PolarHBondContact O-N 3.14Å; L1290-T1293 PolarHBondContact O-N 2.86Å; L1290-H1294 WeakPolarHBondContact O-CB 3.39Å; L1290-H1294 PolarHBondContact O-N 2.85Å |
| 1291 | I | 77.5 | Confident | 76.1 | Confident | 97 Ų | 97 | 88.8 Ų | 88.8 | 50% | 0.497 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -58.7 | -44 | 174.6 | -70.2 | 165.7 | 0 | 0 | 0 | 110.5 | F1287 T1289 H1294 A1295 | F1287-I1291 HydrophobicContact CD1-CD1 3.64Å; F1287-I1291 HydrophobicContact CD1-CG1 4.22Å; F1287-I1291 HydrophobicContact CE1-CD1 3.88Å; F1287-I1291 HydrophobicContact CE1-CG1 4.33Å; F1287-I1291 VanDerWaalsContact O-CG1 3.31Å; F1287-I1291 WeakPolarHBondContact O-CG1 3.31Å; F1287-I1291 PolarHBondContact O-N 3.49Å; T1289-I1291 PolarHBondContact O-N 3.49Å; I1291-H1294 PolarHBondContact O-N 3.21Å; I1291-A1295 WeakPolarHBondContact O-CB 3.37Å; I1291-A1295 PolarHBondContact O-N 2.9Å |
| 1292 | T | 78.5 | Confident | 75.7 | Confident | 97 Ų | 97 | 87.2 Ų | 87.2 | 60% | 0.595 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -65.9 | -44.4 | 179.5 | -50.2 | 0 | 0 | 0 | 0 | 111.4 | K1288 T1289 L1290 A1295 S1296 | K1288-T1292 PolarHBondContact O-N 2.78Å; K1288-T1292 VanDerWaalsContact O-N 3.08Å; K1288-T1292 PolarHBondContact O-OG1 3.11Å; T1289-T1292 WeakPolarHBondContact O-CA 3.39Å; T1289-T1292 WeakPolarHBondContact O-CB 3.43Å; T1289-T1292 PolarHBondContact O-N 2.95Å; L1290-T1292 VanDerWaalsContact C-N 3.3Å; L1290-T1292 PolarHBondContact O-N 3.14Å; T1292-A1295 PolarHBondContact O-N 3.47Å; T1292-S1296 PolarHBondContact O-N 2.7Å |
| 1293 | T | 80.1 | Confident | 75.5 | Confident | 78 Ų | 78 | 85.5 Ų | 85.5 | 48% | 0.479 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.2 | -43.2 | 175.7 | -47.9 | 0 | 0 | 0 | 0 | 111.1 | T1289 L1290 A1295 S1296 L1297 | T1289-T1293 PolarHBondContact O-N 3.48Å; T1289-T1293 PolarHBondContact O-OG1 3.22Å; L1290-T1293 PolarHBondContact O-N 2.86Å; T1293-A1295 PolarHBondContact O-N 2.81Å; T1293-S1296 PolarHBondContact O-N 2.7Å; T1293-S1296 PolarHBondContact O-OG 3.07Å; T1293-L1297 PolarHBondContact O-N 2.8Å |
| 1294 | H | 77.1 | Confident | 75.2 | Confident | 120 Ų | 120 | 86.3 Ų | 86.3 | 56% | 0.556 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -66.8 | -36.8 | 178.7 | -147.5 | -59.2 | 0 | 0 | 0 | 111.8 | L1290 I1291 T1298 | L1290-H1294 WeakPolarHBondContact O-CB 3.39Å; L1290-H1294 PolarHBondContact O-N 2.85Å; I1291-H1294 PolarHBondContact O-N 3.21Å; H1294-T1298 WeakPolarHBondContact O-CB 3.27Å; H1294-T1298 PolarHBondContact O-N 3.44Å; H1294-T1298 PolarHBondContact O-OG1 3.41Å |
| 1295 | A | 73.2 | Confident | 74.7 | Confident | 60 Ų | 60 | 88.1 Ų | 88.1 | 50% | 0.496 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.2 | -43.1 | 172 | 0 | 0 | 0 | 0 | 0 | 111.8 | I1291 T1292 T1293 T1298 K1299 | I1291-A1295 WeakPolarHBondContact O-CB 3.37Å; I1291-A1295 PolarHBondContact O-N 2.9Å; T1292-A1295 PolarHBondContact O-N 3.47Å; T1293-A1295 PolarHBondContact O-N 2.81Å; A1295-T1298 PolarHBondContact O-N 3.15Å; A1295-K1299 PolarHBondContact O-N 3.37Å |
| 1296 | S | 76.9 | Confident | 73.9 | Confident | 71 Ų | 71 | 85.2 Ų | 85.2 | 50% | 0.497 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.1 | -42.5 | 176.6 | 73.3 | 0 | 0 | 0 | 0 | 112.9 | T1292 T1293 T1298 K1299 E1300 | T1292-S1296 PolarHBondContact O-N 2.7Å; T1293-S1296 PolarHBondContact O-N 2.7Å; T1293-S1296 PolarHBondContact O-OG 3.07Å; S1296-T1298 VanDerWaalsContact C-N 3.34Å; S1296-T1298 PolarHBondContact O-N 2.98Å; S1296-K1299 WeakPolarHBondContact O-CB 3.22Å; S1296-K1299 PolarHBondContact O-N 3.44Å; S1296-E1300 PolarHBondContact O-N 3.46Å |
| 1297 | L | 77.3 | Confident | 73.1 | Confident | 94 Ų | 94 | 88 Ų | 88 | 49% | 0.492 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.4 | -41.2 | 175.5 | -166.1 | 82.7 | 0 | 0 | 0 | 111.1 | T1293 K1299 E1300 V1301 | T1293-L1297 PolarHBondContact O-N 2.8Å; L1297-K1299 VanDerWaalsContact C-N 3.28Å; L1297-K1299 PolarHBondContact O-N 2.93Å; L1297-E1300 PolarHBondContact O-N 3.42Å; L1297-V1301 WeakPolarHBondContact O-CG2 3.38Å; L1297-V1301 PolarHBondContact O-N 3.38Å |
| 1298 | T | 71.3 | Confident | 72.5 | Confident | 87 Ų | 87 | 88.2 Ų | 88.2 | 53% | 0.534 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.1 | -35.6 | 176.6 | -51.4 | 0 | 0 | 0 | 0 | 111.1 | H1294 A1295 S1296 G1302 | H1294-T1298 WeakPolarHBondContact O-CB 3.27Å; H1294-T1298 PolarHBondContact O-N 3.44Å; H1294-T1298 PolarHBondContact O-OG1 3.41Å; A1295-T1298 PolarHBondContact O-N 3.15Å; S1296-T1298 VanDerWaalsContact C-N 3.34Å; S1296-T1298 PolarHBondContact O-N 2.98Å; T1298-G1302 PolarHBondContact O-N 3.07Å |
| 1299 | K | 68.5 | Low | 71.5 | Confident | 134 Ų | 134 | 92.4 Ų | 92.4 | 58% | 0.583 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -66.5 | -41.9 | 173 | -167.3 | 176.9 | -177.6 | 177.8 | 0 | 112 | A1295 S1296 L1297 G1302 L1303 | A1295-K1299 PolarHBondContact O-N 3.37Å; S1296-K1299 WeakPolarHBondContact O-CB 3.22Å; S1296-K1299 PolarHBondContact O-N 3.44Å; L1297-K1299 VanDerWaalsContact C-N 3.28Å; L1297-K1299 PolarHBondContact O-N 2.93Å; K1299-G1302 PolarHBondContact O-N 3.21Å; K1299-L1303 WeakPolarHBondContact O-CG 2.98Å; K1299-L1303 PolarHBondContact O-N 3.39Å |
| 1300 | E | 76.1 | Confident | 70.6 | Confident | 91 Ų | 91 | 92.2 Ų | 92.2 | 43% | 0.425 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.2 | -47 | 175.5 | -167.1 | -165.7 | 152.5 | 0 | 0 | 111.9 | S1296 L1297 G1302 L1303 R1304 | S1296-E1300 PolarHBondContact O-N 3.46Å; L1297-E1300 PolarHBondContact O-N 3.42Å; E1300-G1302 VanDerWaalsContact C-N 3.31Å; E1300-G1302 PolarHBondContact O-N 2.88Å; E1300-L1303 WeakPolarHBondContact O-CB 3.3Å; E1300-L1303 PolarHBondContact O-N 3.11Å; E1300-R1304 PolarHBondContact O-N 2.73Å; E1300-R1304 IonicContact OE1-CZ 2.74Å; E1300-R1304 IonicContact OE1-NE 3.88Å; E1300-R1304 PolarHBondContact OE1-NE 2.93Å; E1300-R1304 IonicContact OE1-NH2 3.94Å; E1300-R1304 PolarHBondContact OE1-NH2 2.78Å |
| 1301 | V | 73.8 | Confident | 69.7 | Low | 79 Ų | 79 | 92.9 Ų | 92.9 | 48% | 0.479 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.2 | -39.7 | 177.2 | 173.1 | 0 | 0 | 0 | 0 | 111 | L1297 R1304 C1305 | L1297-V1301 WeakPolarHBondContact O-CG2 3.38Å; L1297-V1301 PolarHBondContact O-N 3.38Å; V1301-R1304 PolarHBondContact O-N 3.04Å; V1301-C1305 WeakPolarHBondContact O-CB 3.46Å; V1301-C1305 PolarHBondContact O-N 3.24Å; V1301-C1305 PolarHBondContact O-SG 2.93Å |
| 1302 | G | 65.2 | Low | 68.8 | Low | 25 Ų | 25 | 90.9 Ų | 90.9 | 26% | 0.258 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -58.9 | -46.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | T1298 K1299 E1300 C1305 V1306 | T1298-G1302 PolarHBondContact O-N 3.07Å; K1299-G1302 PolarHBondContact O-N 3.21Å; E1300-G1302 VanDerWaalsContact C-N 3.31Å; E1300-G1302 PolarHBondContact O-N 2.88Å; G1302-C1305 PolarHBondContact O-N 2.93Å; G1302-V1306 WeakPolarHBondContact O-CG2 3.31Å; G1302-V1306 PolarHBondContact O-N 3.03Å |
| 1303 | L | 67.9 | Low | 67.6 | Low | 84 Ų | 84 | 91.9 Ų | 91.9 | 44% | 0.44 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.7 | -44.2 | 174.9 | -82 | 162.2 | 0 | 0 | 0 | 112.6 | V1239 K1299 E1300 V1306 Q1307 | V1239-L1303 HydrophobicContact CG1-CD2 3.52Å; V1239-L1303 HydrophobicContact CG1-CG 3.98Å; K1299-L1303 WeakPolarHBondContact O-CG 2.98Å; K1299-L1303 PolarHBondContact O-N 3.39Å; E1300-L1303 WeakPolarHBondContact O-CB 3.3Å; E1300-L1303 PolarHBondContact O-N 3.11Å; L1303-V1306 PolarHBondContact O-N 3.42Å; L1303-Q1307 PolarHBondContact O-N 3.26Å |
| 1304 | R | 70.3 | Confident | 66.3 | Low | 151 Ų | 151 | 96.3 Ų | 96.3 | 57% | 0.57 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.2 | -46.5 | 175.8 | -70.9 | -168.6 | -170.7 | -155.6 | 5.8 | 112.4 | E1300 V1301 V1306 Q1307 E1308 | E1300-R1304 PolarHBondContact O-N 2.73Å; E1300-R1304 IonicContact OE1-CZ 2.74Å; E1300-R1304 IonicContact OE1-NE 3.88Å; E1300-R1304 PolarHBondContact OE1-NE 2.93Å; E1300-R1304 IonicContact OE1-NH2 3.94Å; E1300-R1304 PolarHBondContact OE1-NH2 2.78Å; V1301-R1304 PolarHBondContact O-N 3.04Å; R1304-V1306 PolarHBondContact O-N 2.82Å; R1304-Q1307 PolarHBondContact O-N 3.12Å; R1304-Q1307 VanDerWaalsContact O-N 3.1Å; R1304-E1308 PolarHBondContact O-N 3.39Å |
| 1305 | C | 62.7 | Low | 65.2 | Low | 59 Ų | 59 | 94.5 Ų | 94.5 | 40% | 0.399 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.6 | -31.7 | 178.3 | -67.9 | 0 | 0 | 0 | 0 | 112.6 | V1301 G1302 R1309 | V1301-C1305 WeakPolarHBondContact O-CB 3.46Å; V1301-C1305 PolarHBondContact O-N 3.24Å; V1301-C1305 PolarHBondContact O-SG 2.93Å; G1302-C1305 PolarHBondContact O-N 2.93Å; C1305-R1309 WeakPolarHBondContact O-CB 3.49Å; C1305-R1309 WeakPolarHBondContact O-CG 3.26Å; C1305-R1309 PolarHBondContact O-N 3.03Å |
| 1306 | V | 59.1 | Low | 64.3 | Low | 15 Ų | 15 | 94.6 Ų | 94.6 | 9% | 0.091 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -68.3 | -49.6 | 171.6 | 166.1 | 0 | 0 | 0 | 0 | 110.7 | L1235 I1236 G1302 L1303 R1304 E1308 R1309 I1310 | L1235-V1306 HydrophobicContact CD2-CG2 3.42Å; L1235-V1306 VanDerWaalsContact CD2-CG2 3.42Å; L1235-V1306 HydrophobicContact CG-CG2 4.5Å; I1236-V1306 HydrophobicContact CD1-CG1 4.2Å; I1236-V1306 HydrophobicContact CG1-CG1 3.45Å; I1236-V1306 VanDerWaalsContact CG1-CG1 3.45Å; G1302-V1306 WeakPolarHBondContact O-CG2 3.31Å; G1302-V1306 PolarHBondContact O-N 3.03Å; L1303-V1306 PolarHBondContact O-N 3.42Å; R1304-V1306 PolarHBondContact O-N 2.82Å; V1306-E1308 PolarHBondContact O-N 2.76Å; V1306-R1309 PolarHBondContact O-N 3.27Å; V1306-I1310 HydrophobicContact CG1-CD1 3.68Å; V1306-I1310 HydrophobicContact CG1-CG1 4.34Å; V1306-I1310 VanDerWaalsContact O-CG1 3.32Å; V1306-I1310 WeakPolarHBondContact O-CG1 3.28Å; V1306-I1310 PolarHBondContact O-N 3.11Å |
| 1307 | Q | 64.9 | Low | 63.2 | Low | 112 Ų | 112 | 97.1 Ų | 97.1 | 52% | 0.523 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.5 | -40.4 | -178 | -158.4 | 69 | 35.3 | 0 | 0 | 112.6 | L1303 R1304 N1311 | L1303-Q1307 PolarHBondContact O-N 3.26Å; R1304-Q1307 PolarHBondContact O-N 3.12Å; R1304-Q1307 VanDerWaalsContact O-N 3.1Å; Q1307-N1311 PolarHBondContact O-N 2.95Å; Q1307-N1311 PolarHBondContact O-ND2 3.12Å |
| 1308 | E | 64.9 | Low | 62.2 | Low | 137 Ų | 137 | 100 Ų | 100 | 64% | 0.64 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.6 | -37.9 | 176 | -72.7 | 177.4 | 170.3 | 0 | 0 | 112.2 | R1304 V1306 N1311 | R1304-E1308 PolarHBondContact O-N 3.39Å; V1306-E1308 PolarHBondContact O-N 2.76Å; E1308-N1311 PolarHBondContact O-N 3.33Å |
| 1309 | R | 56.6 | Low | 61.5 | Low | 155 Ų | 155 | 101 Ų | 101 | 59% | 0.585 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -76.7 | -28.1 | 177.8 | -77.9 | -179.3 | 172.3 | -178.8 | -4.1 | 114.2 | L1232 C1305 V1306 N1311 A1312 | L1232-R1309 HydrophobicContact CD1-CB 3.54Å; L1232-R1309 HydrophobicContact CD1-CG 4.22Å; L1232-R1309 HydrophobicContact CD2-CB 3.8Å; L1232-R1309 HydrophobicContact CG-CB 4.3Å; C1305-R1309 WeakPolarHBondContact O-CB 3.49Å; C1305-R1309 WeakPolarHBondContact O-CG 3.26Å; C1305-R1309 PolarHBondContact O-N 3.03Å; V1306-R1309 PolarHBondContact O-N 3.27Å; R1309-N1311 PolarHBondContact O-N 3.11Å; R1309-A1312 PolarHBondContact O-N 3.19Å |
| 1310 | I | 60.5 | Low | 60.7 | Low | 81 Ų | 81 | 99.5 Ų | 99.5 | 42% | 0.415 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.4 | -32.2 | 171.7 | -71.1 | 165.8 | 0 | 0 | 0 | 110.8 | L1232 I1236 V1306 | L1232-I1310 HydrophobicContact CD2-CG1 4.08Å; I1236-I1310 HydrophobicContact CD1-CD1 3.64Å; I1236-I1310 HydrophobicContact CD1-CG1 3.83Å; I1236-I1310 HydrophobicContact CG1-CD1 4.1Å; V1306-I1310 HydrophobicContact CG1-CD1 3.68Å; V1306-I1310 HydrophobicContact CG1-CG1 4.34Å; V1306-I1310 VanDerWaalsContact O-CG1 3.32Å; V1306-I1310 WeakPolarHBondContact O-CG1 3.28Å; V1306-I1310 PolarHBondContact O-N 3.11Å |
| 1311 | N | 62 | Low | 59.5 | Low | 124 Ų | 124 | 99.7 Ų | 99.7 | 66% | 0.663 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -0.2 | -177.6 | -67.1 | -19.7 | 0 | 0 | 0 | 114.1 | Q1307 E1308 R1309 | Q1307-N1311 PolarHBondContact O-N 2.95Å; Q1307-N1311 PolarHBondContact O-ND2 3.12Å; E1308-N1311 PolarHBondContact O-N 3.33Å; R1309-N1311 PolarHBondContact O-N 3.11Å |
| 1312 | A | 56.9 | Low | 58.3 | Low | 55 Ų | 55 | 105.7 Ų | 105.7 | 46% | 0.455 | 56% | 0.56 | S | S | . | * | S | Bend | trans | -91.9 | 143.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | R1309 Y1314 | R1309-A1312 PolarHBondContact O-N 3.19Å; A1312-Y1314 PolarHBondContact O-N 3.42Å |
| 1313 | P | 53.8 | Low | 57.4 | Low | 118 Ų | 118 | 108.4 Ų | 108.4 | 77% | 0.766 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 131.5 | 176.5 | 27.7 | -33.8 | 0 | 0 | 0 | 111.2 | ||
| 1314 | Y | 52.8 | Low | 56.5 | Low | 171 Ų | 171 | 109.9 Ų | 109.9 | 67% | 0.671 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -103.1 | 135.8 | -177.9 | 177.1 | -103.2 | 0 | 0 | 0 | 111.7 | A1312 | A1312-Y1314 PolarHBondContact O-N 3.42Š|
| 1315 | P | 53.9 | Low | 55.6 | Low | 82 Ų | 82 | 109.8 Ų | 109.8 | 53% | 0.532 | 60% | 0.604 | S | S | . | * | S | Bend | cis | -86.4 | 154.9 | -5.3 | 33.2 | -32.8 | 0 | 0 | 0 | 114.2 | P1317 E1320 | P1315-P1317 WeakPolarHBondContact O-CD 3.44Å; P1315-E1320 WeakPolarHBondContact CB-OE2 3.23Å |
| 1316 | D | 54 | Low | 54.9 | Low | 61 Ų | 61 | 112.1 Ų | 112.1 | 33% | 0.326 | 62% | 0.618 | S | S | . | * | P | Polyproline II helix | trans | -79 | 116.3 | 179.4 | 172.2 | 8.4 | 0 | 0 | 0 | 111.8 | I1318 T1319 E1320 | D1316-I1318 VanDerWaalsContact C-N 3.25Å; D1316-I1318 PolarHBondContact O-N 3.07Å; D1316-I1318 PolarHBondContact OD1-N 2.9Å; D1316-T1319 WeakPolarHBondContact OD2-CB 3.32Å; D1316-T1319 WeakPolarHBondContact OD2-CG2 3.4Å; D1316-T1319 PolarHBondContact OD2-OG1 3.24Å; D1316-E1320 PolarHBondContact O-N 3.13Å |
| 1317 | P | 55.5 | Low | 54.5 | Low | 125 Ų | 125 | 116.8 Ų | 116.8 | 81% | 0.812 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | -7.8 | -175.7 | 31.1 | -36.6 | 0 | 0 | 0 | 115.2 | P1315 | P1315-P1317 WeakPolarHBondContact O-CD 3.44Š|
| 1318 | I | 55.8 | Low | 53.8 | Low | 155 Ų | 155 | 117.1 Ų | 117.1 | 80% | 0.795 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.5 | -31.4 | -178.3 | -60.6 | 173.3 | 0 | 0 | 0 | 111.7 | D1316 | D1316-I1318 VanDerWaalsContact C-N 3.25Å; D1316-I1318 PolarHBondContact O-N 3.07Å; D1316-I1318 PolarHBondContact OD1-N 2.9Å |
| 1319 | T | 55.6 | Low | 53.3 | Low | 106 Ų | 106 | 112.7 Ų | 112.7 | 65% | 0.65 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.5 | -24 | -174.3 | 65.8 | 0 | 0 | 0 | 0 | 115.2 | D1316 A1321 | D1316-T1319 WeakPolarHBondContact OD2-CB 3.32Å; D1316-T1319 WeakPolarHBondContact OD2-CG2 3.4Å; D1316-T1319 PolarHBondContact OD2-OG1 3.24Å; T1319-A1321 PolarHBondContact O-N 3.29Å |
| 1320 | E | 51.4 | Low | 53.5 | Low | 103 Ų | 103 | 109.2 Ų | 109.2 | 48% | 0.481 | 63% | 0.629 | S | S | . | * | S | Bend | trans | -85.4 | 115.7 | 176.2 | -66.7 | -159.5 | 158.9 | 0 | 0 | 111.8 | P1315 D1316 K1322 | P1315-E1320 WeakPolarHBondContact CB-OE2 3.23Å; D1316-E1320 PolarHBondContact O-N 3.13Å; E1320-K1322 PolarHBondContact O-N 3.44Å |
| 1321 | A | 51.3 | Low | 53.9 | Low | 96 Ų | 96 | 108.1 Ų | 108.1 | 79% | 0.793 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 127.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | T1319 A1323 | T1319-A1321 PolarHBondContact O-N 3.29Å; A1321-A1323 PolarHBondContact O-N 3.03Å |
| 1322 | K | 48 | Very low | 54.4 | Low | 204 Ų | 204 | 102.6 Ų | 102.6 | 89% | 0.887 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 126.4 | 167.1 | -84.8 | -175 | 174.9 | 178.8 | 0 | 109 | E1320 | E1320-K1322 PolarHBondContact O-N 3.44Š|
| 1323 | A | 48.1 | Very low | 55.4 | Low | 82 Ų | 82 | 100.2 Ų | 100.2 | 68% | 0.678 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 131.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | A1321 | A1321-A1323 PolarHBondContact O-N 3.03Š|
| 1324 | P | 47.4 | Very low | 56.3 | Low | 115 Ų | 115 | 100.7 Ų | 100.7 | 75% | 0.747 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 144.2 | 166.8 | 26.6 | -33.1 | 0 | 0 | 0 | 108.7 | ||
| 1325 | I | 51.9 | Low | 57.3 | Low | 149 Ų | 149 | 96.1 Ų | 96.1 | 76% | 0.764 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -50.5 | 131.4 | 175.7 | -58.4 | 167.7 | 0 | 0 | 0 | 107.6 | V1327 | I1325-V1327 PolarHBondContact O-N 3.47Å; I1325-V1327 VanDerWaalsContact O-N 3.08Å |
| 1326 | P | 48.7 | Very low | 58.4 | Low | 109 Ų | 109 | 93.9 Ų | 93.9 | 71% | 0.708 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -53.7 | 120.5 | -176.3 | 19.1 | -31.9 | 0 | 0 | 0 | 110.5 | V1328 | P1326-V1328 WeakPolarHBondContact O-CG2 3.28Å; P1326-V1328 PolarHBondContact O-N 3.31Å |
| 1327 | V | 50.4 | Low | 59.4 | Low | 112 Ų | 112 | 91.3 Ų | 91.3 | 68% | 0.679 | 52% | 0.516 | S | S | * | . | trans | -71.7 | 99 | 177.5 | 177.9 | 0 | 0 | 0 | 0 | 107.6 | I1325 S1329 | I1325-V1327 PolarHBondContact O-N 3.47Å; I1325-V1327 VanDerWaalsContact O-N 3.08Å; V1327-S1329 PolarHBondContact O-N 2.67Å | ||
| 1328 | V | 50.4 | Low | 60.3 | Low | 120 Ų | 120 | 87.5 Ų | 87.5 | 73% | 0.727 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -67.6 | -15.4 | -178 | -145.6 | 0 | 0 | 0 | 0 | 112.4 | P1326 F1330 | P1326-V1328 WeakPolarHBondContact O-CG2 3.28Å; P1326-V1328 PolarHBondContact O-N 3.31Å; V1328-F1330 PolarHBondContact O-N 3.23Å |
| 1329 | S | 54 | Low | 61 | Low | 44 Ų | 44 | 87 Ų | 87 | 31% | 0.308 | 48% | 0.484 | S | S | . | . | trans | -99.1 | 71.5 | 180 | 64.1 | 0 | 0 | 0 | 0 | 112.3 | V1327 H1331 | V1327-S1329 PolarHBondContact O-N 2.67Å; S1329-H1331 PolarHBondContact O-ND1 3.01Å | ||
| 1330 | F | 60.4 | Low | 61.8 | Low | 81 Ų | 81 | 86.1 Ų | 86.1 | 36% | 0.355 | 48% | 0.475 | S | S | . | . | trans | -79.5 | 132.6 | 170.3 | -164.6 | -88.9 | 0 | 0 | 0 | 110.3 | P1178 M1197 V1328 P1332 L1335 | P1178-F1330 HydrophobicContact CG-CB 4.09Å; P1178-F1330 HydrophobicContact CG-CD1 3.86Å; P1178-F1330 HydrophobicContact CG-CG 4.23Å; M1197-F1330 HydrophobicContact CE-CD1 3.42Å; M1197-F1330 VanDerWaalsContact CE-CD1 3.42Å; M1197-F1330 HydrophobicContact CE-CD2 4.06Å; M1197-F1330 HydrophobicContact CE-CE1 3.29Å; M1197-F1330 HydrophobicContact CE-CE2 3.93Å; M1197-F1330 HydrophobicContact CE-CG 3.83Å; M1197-F1330 HydrophobicContact CE-CZ 3.56Å; M1197-F1330 HydrophobicContact SD-CD1 4.3Å; M1197-F1330 HydrophobicContact SD-CE1 3.53Å; M1197-F1330 VanDerWaalsContact SD-CE1 3.53Å; M1197-F1330 HydrophobicContact SD-CE2 4.09Å; M1197-F1330 HydrophobicContact SD-CZ 3.41Å; M1197-F1330 WeakPolarHBondContact SD-CZ 3.36Å; V1328-F1330 PolarHBondContact O-N 3.23Å; F1330-P1332 HydrophobicContact CD1-CB 4.4Å; F1330-P1332 HydrophobicContact CE1-CB 4.36Å; F1330-P1332 WeakPolarHBondContact O-CD 3.47Å; F1330-L1335 HydrophobicContact CZ-CD2 4.22Å | ||
| 1331 | H | 70.4 | Confident | 62.7 | Low | 58 Ų | 58 | 84 Ų | 84 | 27% | 0.269 | 48% | 0.48 | S | S | . | . | trans | -110 | 86 | -178.1 | -65.5 | 68.8 | 0 | 0 | 0 | 109.9 | E1157 S1329 I1333 R1334 W1355 | E1157-H1331 WeakPolarHBondContact OE1-CA 3.28Å; E1157-H1331 WeakPolarHBondContact OE1-CB 3.36Å; E1157-H1331 IonicContact OE2-CD2 2.64Å; E1157-H1331 PolarHBondContact OE2-CD2 3.34Å; E1157-H1331 IonicContact OE2-CG 3.65Å; S1329-H1331 PolarHBondContact O-ND1 3.01Å; H1331-I1333 VanDerWaalsContact C-N 3.31Å; H1331-I1333 PolarHBondContact O-N 2.73Å; H1331-R1334 HydrophobicContact CB-CB 4.15Å; H1331-R1334 WeakPolarHBondContact O-CB 3.44Å; H1331-R1334 PolarHBondContact O-N 2.87Å; H1331-R1334 VanDerWaalsContact O-N 3.14Å; H1331-W1355 AromaticContact CD2-CD2 3.78Å; H1331-W1355 AromaticContact CD2-CG 3.86Å | ||
| 1332 | P | 72.8 | Confident | 63.6 | Low | 9 Ų | 9 | 81.7 Ų | 81.7 | 6% | 0.058 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -60.4 | -29.9 | -178.1 | 22 | -31.5 | 0 | 0 | 0 | 115.1 | E1157 P1178 A1180 F1330 R1334 L1335 L1336 | E1157-P1332 HydrophobicContact CG-CG 3.78Å; E1157-P1332 VanDerWaalsContact OE1-CD 3.26Å; E1157-P1332 WeakPolarHBondContact OE1-CD 3.32Å; P1178-P1332 HydrophobicContact CB-CG 4.32Å; A1180-P1332 HydrophobicContact CB-CB 4.11Å; A1180-P1332 HydrophobicContact CB-CG 4Å; F1330-P1332 HydrophobicContact CD1-CB 4.4Å; F1330-P1332 HydrophobicContact CE1-CB 4.36Å; F1330-P1332 WeakPolarHBondContact O-CD 3.47Å; P1332-R1334 VanDerWaalsContact C-N 3.3Å; P1332-R1334 PolarHBondContact O-N 3.43Å; P1332-L1335 PolarHBondContact O-N 2.77Å; P1332-L1336 WeakPolarHBondContact O-CB 3.49Å; P1332-L1336 PolarHBondContact O-N 3.37Å |
| 1333 | I | 76 | Confident | 64.5 | Low | 5 Ų | 5 | 73.5 Ų | 73.5 | 3% | 0.026 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -60.9 | -41.4 | 173.3 | -64.4 | 161.8 | 0 | 0 | 0 | 110.2 | L1155 E1157 A1180 H1331 L1335 L1336 L1337 W1355 | L1155-I1333 HydrophobicContact CB-CD1 3.88Å; L1155-I1333 HydrophobicContact CB-CG1 4.4Å; L1155-I1333 HydrophobicContact CB-CG2 4.34Å; L1155-I1333 HydrophobicContact CD1-CG2 3.58Å; L1155-I1333 HydrophobicContact CD2-CG1 4.23Å; L1155-I1333 HydrophobicContact CD2-CG2 3.85Å; L1155-I1333 HydrophobicContact CG-CG2 4.14Å; E1157-I1333 HydrophobicContact CB-CD1 3.51Å; E1157-I1333 HydrophobicContact CB-CG1 4.29Å; E1157-I1333 HydrophobicContact CG-CD1 3.6Å; E1157-I1333 HydrophobicContact CG-CG1 3.87Å; E1157-I1333 WeakPolarHBondContact OE1-CA 3.37Å; E1157-I1333 WeakPolarHBondContact OE1-CB 3.35Å; E1157-I1333 WeakPolarHBondContact OE1-CG1 3.41Å; E1157-I1333 PolarHBondContact OE1-N 2.81Å; A1180-I1333 HydrophobicContact CB-CG1 3.69Å; H1331-I1333 VanDerWaalsContact C-N 3.31Å; H1331-I1333 PolarHBondContact O-N 2.73Å; I1333-L1335 VanDerWaalsContact C-N 3.33Å; I1333-L1335 PolarHBondContact O-N 2.66Å; I1333-L1336 PolarHBondContact O-N 3.49Å; I1333-L1337 HydrophobicContact CG2-CD1 3.72Å; I1333-L1337 HydrophobicContact CG2-CG 3.94Å; I1333-L1337 WeakPolarHBondContact O-CB 3.35Å; I1333-L1337 WeakPolarHBondContact O-CG 3.41Å; I1333-L1337 PolarHBondContact O-N 3.33Å; I1333-W1355 HydrophobicContact CB-CZ2 4.21Å; I1333-W1355 HydrophobicContact CG2-CZ2 4.14Å |
| 1334 | R | 73.1 | Confident | 64.9 | Low | 128 Ų | 128 | 73.7 Ų | 73.7 | 48% | 0.483 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -58.2 | -49.1 | 179.6 | -167.7 | 178 | -176.1 | 164.5 | 1.4 | 111 | H1331 P1332 L1336 L1337 T1338 L1343 M1350 W1355 | H1331-R1334 HydrophobicContact CB-CB 4.15Å; H1331-R1334 WeakPolarHBondContact O-CB 3.44Å; H1331-R1334 PolarHBondContact O-N 2.87Å; H1331-R1334 VanDerWaalsContact O-N 3.14Å; P1332-R1334 VanDerWaalsContact C-N 3.3Å; P1332-R1334 PolarHBondContact O-N 3.43Å; R1334-L1336 VanDerWaalsContact C-N 3.33Å; R1334-L1336 PolarHBondContact O-N 3.34Å; R1334-L1337 PolarHBondContact O-N 3.46Å; R1334-T1338 PolarHBondContact O-N 3.26Å; R1334-T1338 PolarHBondContact O-OG1 3.5Å; R1334-L1343 HydrophobicContact CG-CD1 4.06Å; R1334-M1350 PolarHBondContact NH2-SD 3.33Å; R1334-M1350 VanDerWaalsContact NH2-SD 3.44Å; R1334-W1355 HydrophobicContact CB-CH2 3.49Å; R1334-W1355 VanDerWaalsContact CB-CH2 3.49Å; R1334-W1355 HydrophobicContact CB-CZ3 3.59Å; R1334-W1355 HydrophobicContact CG-CH2 3.97Å; R1334-W1355 HydrophobicContact CG-CZ3 3.67Å |
| 1335 | L | 74.4 | Confident | 65.2 | Low | 75 Ų | 75 | 76.6 Ų | 76.6 | 39% | 0.393 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.3 | -44.6 | 178.8 | -171.8 | 72.2 | 0 | 0 | 0 | 110.7 | M1197 F1330 P1332 I1333 T1338 H1339 | M1197-L1335 HydrophobicContact SD-CD2 4.43Å; F1330-L1335 HydrophobicContact CZ-CD2 4.22Å; P1332-L1335 PolarHBondContact O-N 2.77Å; I1333-L1335 VanDerWaalsContact C-N 3.33Å; I1333-L1335 PolarHBondContact O-N 2.66Å; L1335-T1338 PolarHBondContact O-N 3.38Å; L1335-H1339 PolarHBondContact O-CD2 2.93Å; L1335-H1339 PolarHBondContact O-N 3.26Å |
| 1336 | L | 76.2 | Confident | 65.2 | Low | 35 Ų | 35 | 71.4 Ų | 71.4 | 18% | 0.183 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -60.3 | -48.9 | 177.6 | -178.2 | 64.5 | 0 | 0 | 0 | 112.3 | L1182 T1195 P1332 I1333 R1334 T1338 H1339 L1340 | L1182-L1336 HydrophobicContact CD1-CD2 4.5Å; L1182-L1336 HydrophobicContact CD2-CD2 4.39Å; T1195-L1336 HydrophobicContact CG2-CD1 4.26Å; T1195-L1336 HydrophobicContact CG2-CD2 4.06Å; P1332-L1336 WeakPolarHBondContact O-CB 3.49Å; P1332-L1336 PolarHBondContact O-N 3.37Å; I1333-L1336 PolarHBondContact O-N 3.49Å; R1334-L1336 VanDerWaalsContact C-N 3.33Å; R1334-L1336 PolarHBondContact O-N 3.34Å; L1336-T1338 VanDerWaalsContact C-N 3.33Å; L1336-T1338 PolarHBondContact O-N 3.01Å; L1336-H1339 PolarHBondContact O-N 3.46Å; L1336-L1340 HydrophobicContact CD1-CD1 4.14Å; L1336-L1340 HydrophobicContact CD1-CG 4.41Å; L1336-L1340 HydrophobicContact CG-CD1 3.98Å; L1336-L1340 WeakPolarHBondContact O-CB 3.48Å; L1336-L1340 WeakPolarHBondContact O-CG 3.32Å; L1336-L1340 PolarHBondContact O-N 3.49Å |
| 1337 | L | 76.3 | Confident | 64.8 | Low | 7 Ų | 7 | 71.7 Ų | 71.7 | 4% | 0.037 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -65.7 | -33.4 | 178.6 | -70.2 | 178.9 | 0 | 0 | 0 | 112.5 | L1155 I1333 R1334 G1341 Y1342 L1343 L1405 | L1155-L1337 HydrophobicContact CD1-CD1 3.97Å; L1155-L1337 HydrophobicContact CD1-CD2 4.26Å; L1155-L1337 HydrophobicContact CD1-CG 4.4Å; I1333-L1337 HydrophobicContact CG2-CD1 3.72Å; I1333-L1337 HydrophobicContact CG2-CG 3.94Å; I1333-L1337 WeakPolarHBondContact O-CB 3.35Å; I1333-L1337 WeakPolarHBondContact O-CG 3.41Å; I1333-L1337 PolarHBondContact O-N 3.33Å; R1334-L1337 PolarHBondContact O-N 3.46Å; L1337-G1341 PolarHBondContact O-N 3.09Å; L1337-Y1342 HydrophobicContact CD2-CD2 3.84Å; L1337-Y1342 HydrophobicContact CD2-CG 4.35Å; L1337-Y1342 PolarHBondContact O-N 3.13Å; L1337-L1343 HydrophobicContact CB-CD1 3.65Å; L1337-L1343 HydrophobicContact CB-CG 3.85Å; L1337-L1343 HydrophobicContact CD1-CD1 4.32Å; L1337-L1343 PolarHBondContact O-N 3.43Å; L1337-L1405 HydrophobicContact CD1-CD2 4.05Å; L1337-L1405 HydrophobicContact CD2-CD2 4.2Å |
| 1338 | T | 72.9 | Confident | 64.5 | Low | 44 Ų | 44 | 76.5 Ų | 76.5 | 27% | 0.27 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -65.7 | -44.1 | 170.5 | -62.8 | 0 | 0 | 0 | 0 | 111.5 | R1334 L1335 L1336 L1340 G1341 M1345 | R1334-T1338 PolarHBondContact O-N 3.26Å; R1334-T1338 PolarHBondContact O-OG1 3.5Å; L1335-T1338 PolarHBondContact O-N 3.38Å; L1336-T1338 VanDerWaalsContact C-N 3.33Å; L1336-T1338 PolarHBondContact O-N 3.01Å; T1338-L1340 VanDerWaalsContact C-N 3.33Å; T1338-L1340 PolarHBondContact O-N 2.92Å; T1338-G1341 PolarHBondContact O-N 3.49Å; T1338-G1341 VanDerWaalsContact O-N 3.12Å; T1338-M1345 HydrophobicContact CG2-SD 4.1Å |
| 1339 | H | 71.8 | Confident | 64.1 | Low | 146 Ų | 146 | 78.4 Ų | 78.4 | 68% | 0.676 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -65.9 | -33.2 | 176.4 | -78.6 | -60.5 | 0 | 0 | 0 | 113.7 | L1335 L1336 G1341 | L1335-H1339 PolarHBondContact O-CD2 2.93Å; L1335-H1339 PolarHBondContact O-N 3.26Å; L1336-H1339 PolarHBondContact O-N 3.46Å; H1339-G1341 PolarHBondContact O-N 3.09Å |
| 1340 | L | 72.8 | Confident | 63.7 | Low | 87 Ų | 87 | 79.7 Ų | 79.7 | 46% | 0.455 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -1.3 | 174.5 | -67.8 | 172.3 | 0 | 0 | 0 | 113.3 | L1336 T1338 Y1342 | L1336-L1340 HydrophobicContact CD1-CD1 4.14Å; L1336-L1340 HydrophobicContact CD1-CG 4.41Å; L1336-L1340 HydrophobicContact CG-CD1 3.98Å; L1336-L1340 WeakPolarHBondContact O-CB 3.48Å; L1336-L1340 WeakPolarHBondContact O-CG 3.32Å; L1336-L1340 PolarHBondContact O-N 3.49Å; T1338-L1340 VanDerWaalsContact C-N 3.33Å; T1338-L1340 PolarHBondContact O-N 2.92Å; L1340-Y1342 VanDerWaalsContact C-N 3.29Å; L1340-Y1342 HydrophobicContact CB-CD2 3.54Å; L1340-Y1342 HydrophobicContact CB-CE2 3.79Å; L1340-Y1342 HydrophobicContact CD1-CD2 4.3Å; L1340-Y1342 HydrophobicContact CD1-CE2 4.17Å; L1340-Y1342 PolarHBondContact O-N 3.3Å |
| 1341 | G | 70.3 | Confident | 63 | Low | 57 Ų | 57 | 79.1 Ų | 79.1 | 59% | 0.588 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.1 | 3.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | L1337 T1338 H1339 L1343 | L1337-G1341 PolarHBondContact O-N 3.09Å; T1338-G1341 PolarHBondContact O-N 3.49Å; T1338-G1341 VanDerWaalsContact O-N 3.12Å; H1339-G1341 PolarHBondContact O-N 3.09Å; G1341-L1343 VanDerWaalsContact C-N 3.31Å |
| 1342 | Y | 69.8 | Low | 61.8 | Low | 48 Ų | 48 | 84.6 Ų | 84.6 | 19% | 0.188 | 45% | 0.445 | C | S | . | . | S | Bend | trans | -74.2 | -20.4 | 177.5 | -67.9 | -63.2 | 0 | 0 | 0 | 113.7 | S1147 I1153 L1337 L1340 P1404 L1405 | S1147-Y1342 WeakPolarHBondContact OG-CE1 3.41Å; S1147-Y1342 PolarHBondContact OG-OH 3.28Å; I1153-Y1342 HydrophobicContact CD1-CE2 4.27Å; L1337-Y1342 HydrophobicContact CD2-CD2 3.84Å; L1337-Y1342 HydrophobicContact CD2-CG 4.35Å; L1337-Y1342 PolarHBondContact O-N 3.13Å; L1340-Y1342 VanDerWaalsContact C-N 3.29Å; L1340-Y1342 HydrophobicContact CB-CD2 3.54Å; L1340-Y1342 HydrophobicContact CB-CE2 3.79Å; L1340-Y1342 HydrophobicContact CD1-CD2 4.3Å; L1340-Y1342 HydrophobicContact CD1-CE2 4.17Å; L1340-Y1342 PolarHBondContact O-N 3.3Å; Y1342-P1404 HydrophobicContact CD1-CB 4.14Å; Y1342-L1405 HydrophobicContact CD1-CB 4.27Å; Y1342-L1405 HydrophobicContact CD1-CD1 3.59Å; Y1342-L1405 HydrophobicContact CD2-CD1 4.23Å; Y1342-L1405 HydrophobicContact CE1-CD1 3.87Å; Y1342-L1405 HydrophobicContact CE2-CD1 4.47Å; Y1342-L1405 HydrophobicContact CG-CD1 3.79Å |
| 1343 | L | 66.1 | Low | 60.5 | Low | 33 Ų | 33 | 89 Ų | 89 | 17% | 0.173 | 48% | 0.476 | C | S | . | . | S | Bend | trans | -121.7 | 120.8 | 175.7 | -63.1 | 175.2 | 0 | 0 | 0 | 109.8 | R1334 L1337 G1341 | R1334-L1343 HydrophobicContact CG-CD1 4.06Å; L1337-L1343 HydrophobicContact CB-CD1 3.65Å; L1337-L1343 HydrophobicContact CB-CG 3.85Å; L1337-L1343 HydrophobicContact CD1-CD1 4.32Å; L1337-L1343 PolarHBondContact O-N 3.43Å; G1341-L1343 VanDerWaalsContact C-N 3.31Å |
| 1344 | S | 58 | Low | 59.1 | Low | 86 Ų | 86 | 90.6 Ų | 90.6 | 60% | 0.601 | 49% | 0.485 | S | S | * | . | trans | -74.1 | 154.2 | 173.1 | 78.8 | 0 | 0 | 0 | 0 | 111.2 | G1346 | S1344-G1346 PolarHBondContact O-N 2.64Å; S1344-G1346 VanDerWaalsContact O-N 3.11Å | ||
| 1345 | M | 52.8 | Low | 58.1 | Low | 175 Ų | 175 | 87.5 Ų | 87.5 | 86% | 0.862 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -72.6 | 5.6 | 177.2 | -74.3 | -75.8 | -74.1 | 0 | 0 | 113.7 | T1338 | T1338-M1345 HydrophobicContact CG2-SD 4.1Š|
| 1346 | G | 50.8 | Low | 56.3 | Low | 41 Ų | 41 | 89.6 Ų | 89.6 | 42% | 0.423 | 49% | 0.491 | S | S | . | . | trans | -83.4 | 129 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S1344 Y1348 | S1344-G1346 PolarHBondContact O-N 2.64Å; S1344-G1346 VanDerWaalsContact O-N 3.11Å; G1346-Y1348 PolarHBondContact O-N 3.22Å | ||
| 1347 | P | 42.2 | Very low | 54.4 | Low | 114 Ų | 114 | 98.9 Ų | 98.9 | 74% | 0.74 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | 11.5 | -171 | 25.2 | -32 | 0 | 0 | 0 | 116.9 | ||
| 1348 | Y | 42.2 | Very low | 52.5 | Low | 214 Ų | 214 | 102.9 Ų | 102.9 | 84% | 0.839 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.1 | 9.2 | -165.4 | -67.7 | -65.7 | 0 | 0 | 0 | 117.5 | G1346 | G1346-Y1348 PolarHBondContact O-N 3.22Š|
| 1349 | Q | 43.5 | Very low | 50.4 | Low | 159 Ų | 159 | 109.4 Ų | 109.4 | 74% | 0.743 | 58% | 0.578 | S | S | * | * | trans | -131.9 | 68.5 | 174.3 | -75.8 | -179.9 | -27.8 | 0 | 0 | 112.2 | ||||
| 1350 | M | 44.6 | Very low | 48.7 | Very low | 72 Ų | 72 | 110.3 Ų | 110.3 | 36% | 0.355 | 59% | 0.586 | S | S | . | * | trans | -121.6 | 138.2 | 165.5 | -78.7 | -163.3 | 74 | 0 | 0 | 110.7 | R1334 Q1352 W1355 | R1334-M1350 PolarHBondContact NH2-SD 3.33Å; R1334-M1350 VanDerWaalsContact NH2-SD 3.44Å; M1350-Q1352 PolarHBondContact O-N 3.23Å; M1350-W1355 HydrophobicContact CE-CE3 4.26Å; M1350-W1355 HydrophobicContact CE-CZ3 3.94Å | ||
| 1351 | P | 46 | Very low | 46.6 | Very low | 68 Ų | 68 | 114.8 Ų | 114.8 | 44% | 0.442 | 60% | 0.602 | S | S | . | * | trans | -60.9 | 115.7 | 161.3 | -16.4 | 30.1 | 0 | 0 | 0 | 108.8 | S1353 L1354 | P1351-S1353 PolarHBondContact O-N 3.43Å; P1351-S1353 VanDerWaalsContact O-N 3.08Å; P1351-L1354 HydrophobicContact CB-CD1 4.45Å; P1351-L1354 HydrophobicContact CG-CD1 4.48Å | ||
| 1352 | Q | 44.6 | Very low | 44.8 | Very low | 174 Ų | 174 | 123 Ų | 123 | 81% | 0.813 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -1.5 | -179.9 | -68.5 | -174.6 | -7.9 | 0 | 0 | 113.5 | M1350 | M1350-Q1352 PolarHBondContact O-N 3.23Š|
| 1353 | S | 46.2 | Very low | 43 | Very low | 102 Ų | 102 | 128.2 Ų | 128.2 | 71% | 0.713 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -16 | -176 | 51.7 | 0 | 0 | 0 | 0 | 115.3 | P1351 | P1351-S1353 PolarHBondContact O-N 3.43Å; P1351-S1353 VanDerWaalsContact O-N 3.08Å |
| 1354 | L | 46.9 | Very low | 41.3 | Very low | 38 Ų | 38 | 134.3 Ų | 134.3 | 20% | 0.199 | 68% | 0.679 | C | S | . | * | S | Bend | trans | -85.6 | -36.7 | -165.6 | -70.4 | 169.7 | 0 | 0 | 0 | 114.9 | F1145 P1351 | F1145-L1354 HydrophobicContact CE1-CD1 3.74Å; F1145-L1354 HydrophobicContact CE1-CD2 3.96Å; F1145-L1354 HydrophobicContact CZ-CD1 3.79Å; F1145-L1354 HydrophobicContact CZ-CD2 3.66Å; F1145-L1354 HydrophobicContact CZ-CG 4.36Å; P1351-L1354 HydrophobicContact CB-CD1 4.45Å; P1351-L1354 HydrophobicContact CG-CD1 4.48Å |
| 1355 | W | 52 | Low | 40.2 | Very low | 62 Ų | 62 | 139 Ų | 139 | 24% | 0.235 | 69% | 0.691 | C | S | . | * | S | Bend | trans | -135.7 | 117.3 | 179.6 | -60.5 | -44.6 | 0 | 0 | 0 | 110.1 | H1331 I1333 R1334 M1350 R1357 | H1331-W1355 AromaticContact CD2-CD2 3.78Å; H1331-W1355 AromaticContact CD2-CG 3.86Å; I1333-W1355 HydrophobicContact CB-CZ2 4.21Å; I1333-W1355 HydrophobicContact CG2-CZ2 4.14Å; R1334-W1355 HydrophobicContact CB-CH2 3.49Å; R1334-W1355 VanDerWaalsContact CB-CH2 3.49Å; R1334-W1355 HydrophobicContact CB-CZ3 3.59Å; R1334-W1355 HydrophobicContact CG-CH2 3.97Å; R1334-W1355 HydrophobicContact CG-CZ3 3.67Å; M1350-W1355 HydrophobicContact CE-CE3 4.26Å; M1350-W1355 HydrophobicContact CE-CZ3 3.94Å; W1355-R1357 PolarHBondContact O-N 3.14Å |
| 1356 | P | 37.3 | Very low | 39.1 | Very low | 120 Ų | 120 | 135.5 Ų | 135.5 | 78% | 0.779 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 131.9 | 173.8 | 27 | -32.3 | 0 | 0 | 0 | 108.9 | ||
| 1357 | R | 35.1 | Very low | 38.2 | Very low | 230 Ų | 230 | 138.7 Ų | 138.7 | 87% | 0.868 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 135.6 | 168.3 | -85.7 | -175.8 | 171 | -178.6 | -1.8 | 108.1 | W1355 E1359 | W1355-R1357 PolarHBondContact O-N 3.14Å; R1357-E1359 PolarHBondContact O-N 3.37Å |
| 1358 | P | 36.3 | Very low | 37.7 | Very low | 91 Ų | 91 | 141.8 Ų | 141.8 | 59% | 0.591 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 116.6 | 166.3 | 25.5 | -31.7 | 0 | 0 | 0 | 107.3 | L1360 | P1358-L1360 VanDerWaalsContact C-N 3.35Å; P1358-L1360 PolarHBondContact O-N 3Å |
| 1359 | E | 29.6 | Very low | 37.1 | Very low | 181 Ų | 181 | 143 Ų | 143 | 85% | 0.846 | 71% | 0.708 | S | S | * | * | trans | -62.1 | 102.7 | 169.3 | -72.1 | -169.3 | 154.8 | 0 | 0 | 107.5 | R1357 K1361 | R1357-E1359 PolarHBondContact O-N 3.37Å; E1359-K1361 PolarHBondContact O-N 3.31Å | ||
| 1360 | L | 35.4 | Very low | 36.8 | Very low | 164 Ų | 164 | 141.4 Ų | 141.4 | 86% | 0.859 | 71% | 0.711 | S | S | * | * | trans | -59 | 91.9 | 161.1 | -101.7 | 149 | 0 | 0 | 0 | 106.8 | P1358 R1362 | P1358-L1360 VanDerWaalsContact C-N 3.35Å; P1358-L1360 PolarHBondContact O-N 3Å; L1360-R1362 VanDerWaalsContact C-N 3.31Å; L1360-R1362 PolarHBondContact O-N 2.98Å | ||
| 1361 | K | 29.4 | Very low | 36.2 | Very low | 182 Ų | 182 | 141.7 Ų | 141.7 | 79% | 0.791 | 73% | 0.733 | S | S | * | * | trans | -52.3 | 101.1 | 164.5 | -77.1 | -176.7 | 175.7 | 178.8 | 0 | 106.8 | E1359 D1363 | E1359-K1361 PolarHBondContact O-N 3.31Å; K1361-D1363 PolarHBondContact O-N 3.05Å | ||
| 1362 | R | 31.5 | Very low | 35.4 | Very low | 230 Ų | 230 | 147.2 Ų | 147.2 | 87% | 0.868 | 76% | 0.758 | S | S | * | * | trans | -71.5 | 111.6 | 162.6 | -75.4 | -175.3 | -176.6 | 152.7 | 1.6 | 106 | L1360 N1364 | L1360-R1362 VanDerWaalsContact C-N 3.31Å; L1360-R1362 PolarHBondContact O-N 2.98Å; R1362-N1364 PolarHBondContact O-N 2.95Å | ||
| 1363 | D | 33.1 | Very low | 34.8 | Very low | 156 Ų | 156 | 142.6 Ų | 142.6 | 83% | 0.834 | 76% | 0.757 | S | S | * | * | trans | -58.6 | 127.6 | 166.6 | -70.2 | -46.9 | 0 | 0 | 0 | 109.2 | K1361 Q1365 | K1361-D1363 PolarHBondContact O-N 3.05Å; D1363-Q1365 PolarHBondContact O-N 3.16Å | ||
| 1364 | N | 29.7 | Very low | 33.9 | Very low | 161 Ų | 161 | 145.8 Ų | 145.8 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | trans | -76.1 | 111.6 | 178.3 | -87.4 | -33.1 | 0 | 0 | 0 | 110 | R1362 | R1362-N1364 PolarHBondContact O-N 2.95Š| ||
| 1365 | Q | 34.9 | Very low | 33.2 | Very low | 184 Ų | 184 | 155.6 Ų | 155.6 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | -134.8 | 99.3 | 153.4 | -71.7 | -163.4 | -2.4 | 0 | 0 | 112 | D1363 | D1363-Q1365 PolarHBondContact O-N 3.16Š| ||
| 1366 | S | 30.3 | Very low | 32 | Very low | 103 Ų | 103 | 161.6 Ų | 161.6 | 72% | 0.72 | 83% | 0.831 | S | S | * | * | trans | 46.1 | 120.7 | 137.9 | 57.1 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1367 | S | 32.2 | Very low | 31.6 | Very low | 107 Ų | 107 | 161.4 Ų | 161.4 | 75% | 0.748 | 83% | 0.832 | S | S | * | * | trans | 97.4 | 109 | 131.1 | -59 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1368 | E | 31.8 | Very low | 31.4 | Very low | 180 Ų | 180 | 156.6 Ų | 156.6 | 84% | 0.841 | 83% | 0.83 | S | S | * | * | trans | 57.8 | 101.8 | 131.6 | -54.2 | -164.9 | 135.8 | 0 | 0 | 122.7 | ||||
| 1369 | R | 29.7 | Very low | 31 | Very low | 240 Ų | 240 | 157 Ų | 157 | 91% | 0.906 | 84% | 0.836 | S | S | * | * | 37.5 | 155.7 | 114.7 | -85.6 | -171.6 | 176.5 | -175.9 | 1 | 121.1 | |||||
| 1370 | P | 37.1 | Very low | 30.8 | Very low | 124 Ų | 124 | 155.3 Ų | 155.3 | 81% | 0.805 | 83% | 0.832 | S | S | * | * | -137.5 | 163.8 | -53.7 | 35.9 | -16.2 | 0 | 0 | 0 | 113.1 | |||||
| 1371 | G | 31.1 | Very low | 30.4 | Very low | 78 Ų | 78 | 153.6 Ų | 153.6 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | trans | -171.6 | 130.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1372 | L | 29.5 | Very low | 30.4 | Very low | 185 Ų | 185 | 149 Ų | 149 | 97% | 0.969 | 83% | 0.825 | S | S | * | * | trans | -56.3 | 154 | -173.9 | -69.1 | 83.8 | 0 | 0 | 0 | 116.9 | ||||
| 1373 | G | 32.4 | Very low | 30.3 | Very low | 77 Ų | 77 | 145.7 Ų | 145.7 | 79% | 0.794 | 82% | 0.824 | S | S | * | * | trans | 175.4 | 94.4 | 160.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1374 | N | 27.5 | Very low | 30 | Very low | 168 Ų | 168 | 149.2 Ų | 149.2 | 90% | 0.898 | 83% | 0.825 | S | S | * | * | trans | -56.4 | 134.3 | 175.3 | -78.1 | -30.6 | 0 | 0 | 0 | 113.4 | ||||
| 1375 | R | 30.9 | Very low | 30 | Very low | 245 Ų | 245 | 149 Ų | 149 | 93% | 0.925 | 82% | 0.823 | S | S | * | * | -162.4 | 145.9 | 122.9 | -110.5 | 170.5 | -170.7 | -159.6 | 1.6 | 113.6 | |||||
| 1376 | Q | 28.1 | Very low | 30 | Very low | 188 Ų | 188 | 147.4 Ų | 147.4 | 88% | 0.879 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 139 | -173.4 | -62.7 | 143.3 | -34.9 | 0 | 0 | 111.5 | ||
| 1377 | S | 27.5 | Very low | 29.8 | Very low | 115 Ų | 115 | 151.5 Ų | 151.5 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 120.4 | 157.3 | 50.2 | 0 | 0 | 0 | 0 | 109 | ||
| 1378 | P | 31.2 | Very low | 29.5 | Very low | 129 Ų | 129 | 149.5 Ų | 149.5 | 84% | 0.838 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 141.7 | -176.7 | 32 | -34.3 | 0 | 0 | 0 | 112.1 | ||
| 1379 | S | 27.8 | Very low | 29.4 | Very low | 101 Ų | 101 | 151.1 Ų | 151.1 | 71% | 0.706 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 163.4 | 165.8 | 57.8 | 0 | 0 | 0 | 0 | 111.8 | ||
| 1380 | L | 26.7 | Very low | 29.4 | Very low | 145 Ų | 145 | 145.3 Ų | 145.3 | 76% | 0.759 | 82% | 0.821 | S | S | * | * | trans | 95.9 | 111.3 | 155.1 | -61.6 | 168.6 | 0 | 0 | 0 | 120.3 | ||||
| 1381 | T | 26.3 | Very low | 28.9 | Very low | 127 Ų | 127 | 144.9 Ų | 144.9 | 78% | 0.779 | 82% | 0.821 | S | S | * | * | 67.2 | 124.9 | 126.1 | 59.3 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 1382 | A | 28.5 | Very low | 28.8 | Very low | 87 Ų | 87 | 147 Ų | 147 | 72% | 0.719 | 82% | 0.818 | S | S | * | * | -166.5 | 129.1 | 117.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 1383 | N | 30.8 | Very low | 28.7 | Very low | 159 Ų | 159 | 145.9 Ų | 145.9 | 85% | 0.85 | 81% | 0.812 | S | S | * | * | cis | -160.7 | 162.2 | 47.2 | -95.3 | -40.5 | 0 | 0 | 0 | 113.7 | ||||
| 1384 | R | 26.1 | Very low | 28.7 | Very low | 230 Ų | 230 | 147.5 Ų | 147.5 | 87% | 0.868 | 81% | 0.809 | S | S | * | * | trans | -100.7 | -169.6 | 166.6 | -82.1 | 179.4 | 167.3 | 173 | -3.8 | 110.4 | ||||
| 1385 | I | 29.8 | Very low | 28.8 | Very low | 157 Ų | 157 | 144.4 Ų | 144.4 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | trans | 94.9 | 121.5 | 162.5 | -53 | 156 | 0 | 0 | 0 | 110.4 | ||||
| 1386 | I | 33.8 | Very low | 28.7 | Very low | 151 Ų | 151 | 140 Ų | 140 | 77% | 0.774 | 80% | 0.795 | S | S | * | * | cis | -131.8 | 154.1 | 22.1 | -61.1 | 178.7 | 0 | 0 | 0 | 113.5 | ||||
| 1387 | Q | 26.9 | Very low | 28.5 | Very low | 188 Ų | 188 | 136 Ų | 136 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | trans | -58 | 162.8 | 175 | -57.6 | 153.4 | -39.5 | 0 | 0 | 118 | ||||
| 1388 | G | 25.6 | Very low | 28.8 | Very low | 66 Ų | 66 | 136.3 Ų | 136.3 | 68% | 0.68 | 79% | 0.785 | S | S | * | * | trans | 173.8 | 94.9 | 160.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1389 | F | 29.5 | Very low | 28.9 | Very low | 214 Ų | 214 | 139.8 Ų | 139.8 | 94% | 0.939 | 79% | 0.79 | S | S | * | * | trans | 92.5 | 140.1 | 164.8 | -66.3 | -79.4 | 0 | 0 | 0 | 120.7 | ||||
| 1390 | P | 29.8 | Very low | 29.4 | Very low | 117 Ų | 117 | 140.8 Ų | 140.8 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | trans | -102.8 | 156.1 | -157.5 | 39.9 | -35.7 | 0 | 0 | 0 | 115.6 | ||||
| 1391 | S | 26.4 | Very low | 30 | Very low | 115 Ų | 115 | 141.9 Ų | 141.9 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -83.5 | 142.6 | 174.2 | 54.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1392 | T | 28.8 | Very low | 31.1 | Very low | 123 Ų | 123 | 140.1 Ų | 140.1 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | trans | -138.2 | 116.5 | 162.6 | 42.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1393 | L | 29.2 | Very low | 32.4 | Very low | 161 Ų | 161 | 141.5 Ų | 141.5 | 84% | 0.843 | 77% | 0.769 | S | S | * | * | trans | 67.6 | 159.6 | 162.5 | -74.4 | 88.3 | 0 | 0 | 0 | 118.3 | ||||
| 1394 | P | 31.6 | Very low | 33.9 | Very low | 112 Ų | 112 | 137 Ų | 137 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | cis | -137.5 | -176.2 | -48.1 | 40.1 | -23.7 | 0 | 0 | 0 | 112.5 | ||||
| 1395 | S | 29.8 | Very low | 36.1 | Very low | 102 Ų | 102 | 127.1 Ų | 127.1 | 71% | 0.713 | 71% | 0.712 | S | S | * | * | trans | -70.1 | 157.7 | 175.8 | 46.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1396 | N | 27.6 | Very low | 38 | Very low | 153 Ų | 153 | 121.4 Ų | 121.4 | 82% | 0.818 | 68% | 0.682 | S | S | * | * | trans | 86.7 | 90.9 | 170 | -58.2 | -13.1 | 0 | 0 | 0 | 118.2 | ||||
| 1397 | S | 25.5 | Very low | 39.8 | Very low | 105 Ų | 105 | 117 Ų | 117 | 73% | 0.734 | 66% | 0.663 | S | S | * | * | S | Bend | 178.3 | 136.5 | 117.1 | 35.7 | 0 | 0 | 0 | 0 | 113.4 | |||
| 1398 | T | 31.9 | Very low | 42.1 | Very low | 120 Ų | 120 | 108.8 Ų | 108.8 | 74% | 0.736 | 63% | 0.625 | S | S | * | * | trans | 45.8 | 69.2 | 154 | 55.6 | 0 | 0 | 0 | 0 | 119.8 | D1400 | T1398-D1400 PolarHBondContact O-N 2.93Š| ||
| 1399 | E | 34.4 | Very low | 44.2 | Very low | 203 Ų | 203 | 107.8 Ų | 107.8 | 95% | 0.949 | 60% | 0.604 | S | S | * | * | trans | -78.1 | 44.4 | 163.8 | -68.1 | -169.6 | 156.6 | 0 | 0 | 113.2 | ||||
| 1400 | D | 38.1 | Very low | 46.1 | Very low | 122 Ų | 122 | 100.6 Ų | 100.6 | 65% | 0.652 | 58% | 0.577 | S | S | * | * | trans | -106.6 | 28.3 | 171.6 | -143.7 | 40.1 | 0 | 0 | 0 | 109.3 | T1398 L1402 R1709 | T1398-D1400 PolarHBondContact O-N 2.93Å; D1400-L1402 PolarHBondContact O-N 3.03Å; D1400-L1402 VanDerWaalsContact O-N 3.12Å; D1400-R1709 IonicContact OD2-NH2 3.7Å; D1400-R1709 PolarHBondContact OD2-NH2 2.81Å; D1400-R1709 VanDerWaalsContact OD2-NH2 3.07Å | ||
| 1401 | E | 39.6 | Very low | 47.9 | Very low | 167 Ų | 167 | 103.6 Ų | 103.6 | 78% | 0.78 | 58% | 0.581 | S | S | * | * | trans | -74.6 | 99.1 | -177.9 | -79.6 | -163.9 | 138 | 0 | 0 | 111.5 | ||||
| 1402 | L | 49.8 | Very low | 50 | Low | 90 Ų | 90 | 100.2 Ų | 100.2 | 47% | 0.471 | 55% | 0.554 | S | S | . | * | trans | 56.8 | 68.7 | 142.3 | -51 | -178.2 | 0 | 0 | 0 | 115.6 | E1148 D1400 | E1148-L1402 WeakPolarHBondContact OE1-CD2 3.36Å; D1400-L1402 PolarHBondContact O-N 3.03Å; D1400-L1402 VanDerWaalsContact O-N 3.12Å | ||
| 1403 | L | 54.3 | Low | 51.8 | Low | 117 Ų | 117 | 102 Ų | 102 | 61% | 0.613 | 56% | 0.558 | S | S | * | * | trans | -49.7 | 126.1 | 153.1 | -78.2 | 170.4 | 0 | 0 | 0 | 108.8 | L1405 | L1403-L1405 PolarHBondContact O-N 3.45Å; L1403-L1405 VanDerWaalsContact O-N 3.1Å | ||
| 1404 | P | 64.1 | Low | 53.9 | Low | 63 Ų | 63 | 99.1 Ų | 99.1 | 41% | 0.409 | 54% | 0.543 | S | S | . | . | S | Bend | trans | -69.8 | -11.2 | -173.9 | 29.4 | -36.8 | 0 | 0 | 0 | 112.8 | S1147 Y1342 | S1147-P1404 WeakPolarHBondContact CA-O 3.47Å; Y1342-P1404 HydrophobicContact CD1-CB 4.14Å |
| 1405 | L | 70.6 | Confident | 56.1 | Low | 23 Ų | 23 | 94.2 Ų | 94.2 | 12% | 0.12 | 51% | 0.511 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 123.7 | 175.1 | -148 | 83.2 | 0 | 0 | 0 | 109.7 | F1145 W1146 I1153 L1337 Y1342 L1403 | F1145-L1405 HydrophobicContact CB-CD1 4.19Å; F1145-L1405 HydrophobicContact CB-CD2 3.9Å; F1145-L1405 HydrophobicContact CB-CG 3.79Å; F1145-L1405 HydrophobicContact CD1-CD2 3.61Å; F1145-L1405 HydrophobicContact CD1-CG 4.06Å; F1145-L1405 HydrophobicContact CD2-CD2 4.33Å; F1145-L1405 HydrophobicContact CE1-CD2 4.2Å; F1145-L1405 HydrophobicContact CG-CD2 3.67Å; F1145-L1405 HydrophobicContact CG-CG 4.09Å; W1146-L1405 CarbonylContact O-C 3.59Å; W1146-L1405 WeakPolarHBondContact O-CA 3.44Å; I1153-L1405 HydrophobicContact CD1-CD1 4.25Å; L1337-L1405 HydrophobicContact CD1-CD2 4.05Å; L1337-L1405 HydrophobicContact CD2-CD2 4.2Å; Y1342-L1405 HydrophobicContact CD1-CB 4.27Å; Y1342-L1405 HydrophobicContact CD1-CD1 3.59Å; Y1342-L1405 HydrophobicContact CD2-CD1 4.23Å; Y1342-L1405 HydrophobicContact CE1-CD1 3.87Å; Y1342-L1405 HydrophobicContact CE2-CD1 4.47Å; Y1342-L1405 HydrophobicContact CG-CD1 3.79Å; L1403-L1405 PolarHBondContact O-N 3.45Å; L1403-L1405 VanDerWaalsContact O-N 3.1Å |
| 1406 | F | 71 | Confident | 58.2 | Low | 38 Ų | 38 | 91.1 Ų | 91.1 | 17% | 0.167 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 127.1 | -177.5 | 176 | -102.7 | 0 | 0 | 0 | 110.5 | F1145 W1146 N1704 R1705 V1708 | F1145-F1406 CarbonylContact C-O 3.58Å; F1145-F1406 WeakPolarHBondContact CA-O 3.26Å; W1146-F1406 HydrophobicContact CB-CB 4.49Å; W1146-F1406 HydrophobicContact CE3-CB 4.31Å; W1146-F1406 PolarHBondContact N-O 3.27Å; W1146-F1406 PolarHBondContact O-N 3.17Å; F1406-N1704 WeakPolarHBondContact CE1-ND2 3.45Å; F1406-R1705 HydrophobicContact CD1-CG 4.42Å; F1406-R1705 HydrophobicContact CE1-CG 3.98Å; F1406-R1705 HydrophobicContact CZ-CG 4.07Å; F1406-V1708 HydrophobicContact CE1-CG2 4.4Å; F1406-V1708 HydrophobicContact CE2-CG1 4.27Å; F1406-V1708 HydrophobicContact CZ-CB 3.86Å; F1406-V1708 HydrophobicContact CZ-CG1 4.04Å; F1406-V1708 HydrophobicContact CZ-CG2 3.82Å |
| 1407 | P | 72 | Confident | 60.7 | Low | 57 Ų | 57 | 88.6 Ų | 88.6 | 37% | 0.37 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 142.7 | -177.4 | 28.5 | -34.5 | 0 | 0 | 0 | 112.3 | F1145 N1704 | F1145-P1407 HydrophobicContact CD1-CB 4.28Å; F1145-P1407 HydrophobicContact CE1-CB 4.29Å; P1407-N1704 PolarHBondContact O-ND2 3Å |
| 1408 | F | 73.8 | Confident | 63.3 | Low | 17 Ų | 17 | 85.7 Ų | 85.7 | 8% | 0.075 | 45% | 0.453 | C | S | . | . | trans | -85.7 | 142.3 | 166.4 | -101.3 | -83.3 | 0 | 0 | 0 | 110.8 | Y1144 W1146 I1152 V1410 F1415 N1704 | Y1144-F1408 PolarHBondContact O-N 2.93Å; W1146-F1408 HydrophobicContact CB-CD2 3.99Å; W1146-F1408 HydrophobicContact CB-CE2 3.68Å; W1146-F1408 HydrophobicContact CG-CE2 4.18Å; I1152-F1408 HydrophobicContact CD1-CE2 3.97Å; I1152-F1408 HydrophobicContact CD1-CZ 4.08Å; I1152-F1408 HydrophobicContact CG1-CE2 3.83Å; I1152-F1408 HydrophobicContact CG1-CZ 4.4Å; I1152-F1408 HydrophobicContact CG2-CD2 4.46Å; I1152-F1408 HydrophobicContact CG2-CE2 4.47Å; F1408-V1410 PolarHBondContact O-N 3.35Å; F1408-V1410 VanDerWaalsContact O-N 3.14Å; F1408-F1415 HydrophobicContact CB-CE2 3.95Å; F1408-F1415 HydrophobicContact CB-CZ 4.05Å; F1408-F1415 AromaticContact CD1-CD2 3.93Å; F1408-F1415 HydrophobicContact CD1-CD2 3.93Å; F1408-F1415 AromaticContact CD1-CE2 3.41Å; F1408-F1415 HydrophobicContact CD1-CE2 3.41Å; F1408-F1415 VanDerWaalsContact CD1-CE2 3.41Å; F1408-F1415 HydrophobicContact CD1-CZ 4.31Å; F1408-F1415 HydrophobicContact CE1-CD2 4.47Å; F1408-F1415 AromaticContact CE1-CE2 3.99Å; F1408-F1415 HydrophobicContact CE1-CE2 3.99Å; F1408-F1415 AromaticContact CG-CE2 3.72Å; F1408-F1415 HydrophobicContact CG-CE2 3.72Å; F1408-F1415 HydrophobicContact CG-CZ 4.19Å; F1408-N1704 WeakPolarHBondContact CA-ND2 3.39Å; F1408-N1704 HydrophobicContact CD1-CB 4.01Å; F1408-N1704 WeakPolarHBondContact CD1-ND2 3.39Å; F1408-N1704 HydrophobicContact CE1-CB 3.57Å; F1408-N1704 HydrophobicContact CZ-CB 4.22Å | ||
| 1409 | D | 69.4 | Low | 65.7 | Low | 45 Ų | 45 | 80.1 Ų | 80.1 | 24% | 0.241 | 42% | 0.419 | C | S | . | . | trans | -74.3 | 101.2 | 170.3 | -175.7 | 1.1 | 0 | 0 | 0 | 109.3 | E1411 N1412 | D1409-E1411 VanDerWaalsContact C-N 3.31Å; D1409-E1411 PolarHBondContact OD1-N 3.45Å; D1409-N1412 PolarHBondContact OD1-N 2.71Å | ||
| 1410 | V | 69.7 | Low | 67.9 | Low | 62 Ų | 62 | 72.9 Ų | 72.9 | 38% | 0.376 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -16.3 | -179.2 | -166.1 | 0 | 0 | 0 | 0 | 111.5 | Y1144 F1408 N1412 F1415 | Y1144-V1410 HydrophobicContact CD2-CG1 4.18Å; Y1144-V1410 HydrophobicContact CD2-CG2 3.85Å; Y1144-V1410 HydrophobicContact CE2-CG1 4.38Å; F1408-V1410 PolarHBondContact O-N 3.35Å; F1408-V1410 VanDerWaalsContact O-N 3.14Å; V1410-N1412 VanDerWaalsContact C-N 3.32Å; V1410-F1415 HydrophobicContact CG1-CD1 4.37Å |
| 1411 | E | 67.6 | Low | 70 | Confident | 181 Ų | 181 | 71.5 Ų | 71.5 | 85% | 0.846 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -9.9 | 176.8 | -63 | -164.3 | 175.7 | 0 | 0 | 112.8 | D1409 L1413 | D1409-E1411 VanDerWaalsContact C-N 3.31Å; D1409-E1411 PolarHBondContact OD1-N 3.45Å; E1411-L1413 PolarHBondContact O-N 3.06Å; E1411-L1413 VanDerWaalsContact O-N 3.15Å |
| 1412 | N | 71.2 | Confident | 72.2 | Confident | 44 Ų | 44 | 63.7 Ų | 63.7 | 24% | 0.235 | 35% | 0.345 | C | S | . | . | trans | -62.5 | 115.5 | 169.7 | -179.3 | -2.4 | 0 | 0 | 0 | 110.4 | D1409 V1410 D1414 F1415 | D1409-N1412 PolarHBondContact OD1-N 2.71Å; V1410-N1412 VanDerWaalsContact C-N 3.32Å; N1412-D1414 PolarHBondContact O-N 3.44Å; N1412-D1414 VanDerWaalsContact O-N 3.1Å; N1412-D1414 PolarHBondContact OD1-N 3.36Å; N1412-D1414 VanDerWaalsContact OD1-N 3.08Å; N1412-F1415 HydrophobicContact CB-CB 4.31Å; N1412-F1415 WeakPolarHBondContact O-CB 3.44Å; N1412-F1415 PolarHBondContact O-N 3.24Å | ||
| 1413 | L | 66.5 | Low | 73.7 | Confident | 161 Ų | 161 | 60.8 Ų | 60.8 | 84% | 0.843 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -34.5 | -179.7 | -66.1 | 169.9 | 0 | 0 | 0 | 113.1 | E1411 F1415 | E1411-L1413 PolarHBondContact O-N 3.06Å; E1411-L1413 VanDerWaalsContact O-N 3.15Å; L1413-F1415 VanDerWaalsContact C-N 3.32Å; L1413-F1415 PolarHBondContact O-N 3.4Å |
| 1414 | D | 74.5 | Confident | 74.9 | Confident | 100 Ų | 100 | 57.8 Ų | 57.8 | 54% | 0.535 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -10.3 | -178.9 | -62.3 | -15.9 | 0 | 0 | 0 | 113 | N1412 A1416 D1417 I1418 | N1412-D1414 PolarHBondContact O-N 3.44Å; N1412-D1414 VanDerWaalsContact O-N 3.1Å; N1412-D1414 PolarHBondContact OD1-N 3.36Å; N1412-D1414 VanDerWaalsContact OD1-N 3.08Å; D1414-A1416 VanDerWaalsContact C-N 3.31Å; D1414-A1416 PolarHBondContact O-N 2.99Å; D1414-D1417 PolarHBondContact O-N 3.26Å; D1414-D1417 VanDerWaalsContact O-N 3.11Å; D1414-I1418 HydrophobicContact CB-CD1 4.44Å; D1414-I1418 WeakPolarHBondContact O-CG1 3.26Å; D1414-I1418 PolarHBondContact O-N 2.8Å |
| 1415 | F | 77.4 | Confident | 75.8 | Confident | 9 Ų | 9 | 56.4 Ų | 56.4 | 4% | 0.039 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.7 | -35.9 | -174 | -177.2 | -110.9 | 0 | 0 | 0 | 112.8 | Y1144 F1408 V1410 N1412 L1413 D1417 I1418 L1419 | Y1144-F1415 HydrophobicContact CD1-CE1 4.07Å; Y1144-F1415 AromaticContact CD1-CZ 3.89Å; Y1144-F1415 HydrophobicContact CD1-CZ 3.89Å; Y1144-F1415 AromaticContact CD2-CE1 3.56Å; Y1144-F1415 HydrophobicContact CD2-CE1 3.56Å; Y1144-F1415 HydrophobicContact CD2-CZ 4.07Å; Y1144-F1415 HydrophobicContact CE1-CE1 4.3Å; Y1144-F1415 HydrophobicContact CE1-CZ 4.42Å; Y1144-F1415 AromaticContact CE2-CE1 3.81Å; Y1144-F1415 HydrophobicContact CE2-CE1 3.81Å; Y1144-F1415 AromaticContact CG-CE1 3.66Å; Y1144-F1415 HydrophobicContact CG-CE1 3.66Å; Y1144-F1415 AromaticContact CG-CZ 3.65Å; Y1144-F1415 HydrophobicContact CG-CZ 3.65Å; F1408-F1415 HydrophobicContact CB-CE2 3.95Å; F1408-F1415 HydrophobicContact CB-CZ 4.05Å; F1408-F1415 AromaticContact CD1-CD2 3.93Å; F1408-F1415 HydrophobicContact CD1-CD2 3.93Å; F1408-F1415 AromaticContact CD1-CE2 3.41Å; F1408-F1415 HydrophobicContact CD1-CE2 3.41Å; F1408-F1415 VanDerWaalsContact CD1-CE2 3.41Å; F1408-F1415 HydrophobicContact CD1-CZ 4.31Å; F1408-F1415 HydrophobicContact CE1-CD2 4.47Å; F1408-F1415 AromaticContact CE1-CE2 3.99Å; F1408-F1415 HydrophobicContact CE1-CE2 3.99Å; F1408-F1415 AromaticContact CG-CE2 3.72Å; F1408-F1415 HydrophobicContact CG-CE2 3.72Å; F1408-F1415 HydrophobicContact CG-CZ 4.19Å; V1410-F1415 HydrophobicContact CG1-CD1 4.37Å; N1412-F1415 HydrophobicContact CB-CB 4.31Å; N1412-F1415 WeakPolarHBondContact O-CB 3.44Å; N1412-F1415 PolarHBondContact O-N 3.24Å; L1413-F1415 VanDerWaalsContact C-N 3.32Å; L1413-F1415 PolarHBondContact O-N 3.4Å; F1415-D1417 VanDerWaalsContact C-N 3.34Å; F1415-D1417 PolarHBondContact O-N 2.86Å; F1415-I1418 PolarHBondContact O-N 3.45Å; F1415-L1419 HydrophobicContact CD1-CD1 4.19Å; F1415-L1419 HydrophobicContact CE1-CD1 3.54Å; F1415-L1419 HydrophobicContact CE1-CG 4.05Å; F1415-L1419 HydrophobicContact CE2-CD2 4.25Å; F1415-L1419 HydrophobicContact CE2-CG 4.21Å; F1415-L1419 HydrophobicContact CZ-CD1 3.75Å; F1415-L1419 HydrophobicContact CZ-CD2 3.98Å; F1415-L1419 HydrophobicContact CZ-CG 3.88Å; F1415-L1419 PolarHBondContact O-N 3.35Å |
| 1416 | A | 74 | Confident | 76.4 | Confident | 37 Ų | 37 | 56 Ų | 56 | 31% | 0.306 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.4 | -41.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | D1414 T1420 | D1414-A1416 VanDerWaalsContact C-N 3.31Å; D1414-A1416 PolarHBondContact O-N 2.99Å; A1416-T1420 WeakPolarHBondContact O-CB 3.36Å; A1416-T1420 PolarHBondContact O-N 3.49Å; A1416-T1420 PolarHBondContact O-OG1 3.19Å |
| 1417 | D | 78.7 | Confident | 76.8 | Confident | 99 Ų | 99 | 55.2 Ų | 55.2 | 53% | 0.529 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -73.2 | -34.4 | 177.4 | -74.9 | -13.4 | 0 | 0 | 0 | 111.5 | D1414 F1415 T1420 N1421 | D1414-D1417 PolarHBondContact O-N 3.26Å; D1414-D1417 VanDerWaalsContact O-N 3.11Å; F1415-D1417 VanDerWaalsContact C-N 3.34Å; F1415-D1417 PolarHBondContact O-N 2.86Å; D1417-T1420 PolarHBondContact O-N 3.12Å; D1417-N1421 VanDerWaalsContact O-CB 3.26Å; D1417-N1421 WeakPolarHBondContact O-CB 3.45Å; D1417-N1421 VanDerWaalsContact O-CG 3.24Å; D1417-N1421 PolarHBondContact O-N 2.82Å; D1417-N1421 PolarHBondContact O-ND2 2.78Å |
| 1418 | I | 81.5 | Confident | 77.3 | Confident | 44 Ų | 44 | 53.3 Ų | 53.3 | 23% | 0.226 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.6 | -51.3 | 172.7 | -74.3 | 166.9 | 0 | 0 | 0 | 111 | D1414 F1415 T1420 N1421 L1422 L1700 | D1414-I1418 HydrophobicContact CB-CD1 4.44Å; D1414-I1418 WeakPolarHBondContact O-CG1 3.26Å; D1414-I1418 PolarHBondContact O-N 2.8Å; F1415-I1418 PolarHBondContact O-N 3.45Å; I1418-T1420 VanDerWaalsContact C-N 3.31Å; I1418-T1420 PolarHBondContact O-N 3.12Å; I1418-N1421 PolarHBondContact O-N 3.41Å; I1418-L1422 VanDerWaalsContact O-CB 3.3Å; I1418-L1422 WeakPolarHBondContact O-CB 3.49Å; I1418-L1422 PolarHBondContact O-N 3Å; I1418-L1700 HydrophobicContact CD1-CD2 4.35Å; I1418-L1700 HydrophobicContact CG1-CD2 4.25Å; I1418-L1700 HydrophobicContact CG2-CD1 3.62Å; I1418-L1700 HydrophobicContact CG2-CD2 3.57Å; I1418-L1700 HydrophobicContact CG2-CG 4.16Å |
| 1419 | L | 81.7 | Confident | 77.9 | Confident | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.016 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.5 | -40 | 177.5 | -69.5 | -178 | 0 | 0 | 0 | 111.7 | Y1144 I1152 F1415 L1422 D1423 | Y1144-L1419 HydrophobicContact CD1-CD1 4.21Å; Y1144-L1419 HydrophobicContact CE1-CD1 3.52Å; Y1144-L1419 HydrophobicContact CE2-CD1 4.49Å; I1152-L1419 HydrophobicContact CD1-CD2 4.35Å; I1152-L1419 HydrophobicContact CG2-CD2 4.32Å; F1415-L1419 HydrophobicContact CD1-CD1 4.19Å; F1415-L1419 HydrophobicContact CE1-CD1 3.54Å; F1415-L1419 HydrophobicContact CE1-CG 4.05Å; F1415-L1419 HydrophobicContact CE2-CD2 4.25Å; F1415-L1419 HydrophobicContact CE2-CG 4.21Å; F1415-L1419 HydrophobicContact CZ-CD1 3.75Å; F1415-L1419 HydrophobicContact CZ-CD2 3.98Å; F1415-L1419 HydrophobicContact CZ-CG 3.88Å; F1415-L1419 PolarHBondContact O-N 3.35Å; L1419-L1422 PolarHBondContact O-N 3.34Å; L1419-D1423 WeakPolarHBondContact O-CB 3.27Å; L1419-D1423 PolarHBondContact O-N 2.91Å |
| 1420 | T | 80.3 | Confident | 78.6 | Confident | 51 Ų | 51 | 50.9 Ų | 50.9 | 31% | 0.313 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.5 | -50.8 | 177.9 | -57.9 | 0 | 0 | 0 | 0 | 110.9 | A1416 D1417 I1418 L1422 D1423 H1424 | A1416-T1420 WeakPolarHBondContact O-CB 3.36Å; A1416-T1420 PolarHBondContact O-N 3.49Å; A1416-T1420 PolarHBondContact O-OG1 3.19Å; D1417-T1420 PolarHBondContact O-N 3.12Å; I1418-T1420 VanDerWaalsContact C-N 3.31Å; I1418-T1420 PolarHBondContact O-N 3.12Å; T1420-L1422 VanDerWaalsContact C-N 3.32Å; T1420-L1422 PolarHBondContact O-N 2.87Å; T1420-D1423 PolarHBondContact O-N 3.46Å; T1420-D1423 VanDerWaalsContact O-N 3.15Å; T1420-H1424 VanDerWaalsContact CG2-CE1 3.47Å; T1420-H1424 WeakPolarHBondContact CG2-CE1 3.39Å; T1420-H1424 PolarHBondContact O-N 3.2Å; T1420-H1424 PolarHBondContact O-ND1 2.84Å |
| 1421 | N | 82.3 | Confident | 79.4 | Confident | 94 Ų | 94 | 47.9 Ų | 47.9 | 50% | 0.503 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.9 | -39.9 | 177.6 | -76.3 | -49.2 | 0 | 0 | 0 | 112.3 | D1417 I1418 H1424 M1425 | D1417-N1421 VanDerWaalsContact O-CB 3.26Å; D1417-N1421 WeakPolarHBondContact O-CB 3.45Å; D1417-N1421 VanDerWaalsContact O-CG 3.24Å; D1417-N1421 PolarHBondContact O-N 2.82Å; D1417-N1421 PolarHBondContact O-ND2 2.78Å; I1418-N1421 PolarHBondContact O-N 3.41Å; N1421-H1424 PolarHBondContact O-N 3.22Å; N1421-M1425 PolarHBondContact O-N 3.38Å |
| 1422 | L | 85.2 | Confident | 80.5 | Confident | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.016 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.9 | -45.3 | 173.7 | 176.6 | 65.1 | 0 | 0 | 0 | 111 | I1152 R1185 I1418 L1419 T1420 H1424 M1425 R1693 L1697 | I1152-L1422 HydrophobicContact CD1-CD2 4.01Å; R1185-L1422 HydrophobicContact CB-CD2 4.29Å; I1418-L1422 VanDerWaalsContact O-CB 3.3Å; I1418-L1422 WeakPolarHBondContact O-CB 3.49Å; I1418-L1422 PolarHBondContact O-N 3Å; L1419-L1422 PolarHBondContact O-N 3.34Å; T1420-L1422 VanDerWaalsContact C-N 3.32Å; T1420-L1422 PolarHBondContact O-N 2.87Å; L1422-H1424 VanDerWaalsContact C-N 3.3Å; L1422-H1424 PolarHBondContact O-N 2.9Å; L1422-M1425 HydrophobicContact CD1-SD 3.99Å; L1422-M1425 VanDerWaalsContact O-CB 3.26Å; L1422-M1425 WeakPolarHBondContact O-CB 3.39Å; L1422-M1425 WeakPolarHBondContact O-CG 3.37Å; L1422-M1425 PolarHBondContact O-N 3.09Å; L1422-R1693 HydrophobicContact CD1-CG 3.9Å; L1422-R1693 VanDerWaalsContact O-CZ 3.28Å; L1422-R1693 PolarHBondContact O-NH1 3.47Å; L1422-L1697 HydrophobicContact CD1-CD2 4.25Å; L1422-L1697 HydrophobicContact CD1-CG 4Å; L1422-L1697 HydrophobicContact CD2-CD2 3.66Å; L1422-L1697 HydrophobicContact CD2-CG 4.33Å |
| 1423 | D | 80.9 | Confident | 81.5 | Confident | 29 Ų | 29 | 37.6 Ų | 37.6 | 16% | 0.155 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -70.4 | -23.8 | 179.7 | -73.3 | -21.3 | 0 | 0 | 0 | 113.5 | R1185 R1190 L1419 T1420 M1425 R1693 | R1185-D1423 IonicContact CZ-OD2 3.58Å; R1185-D1423 VanDerWaalsContact CZ-OD2 3.29Å; R1185-D1423 IonicContact NE-OD1 3.98Å; R1185-D1423 PolarHBondContact NE-OD1 2.86Å; R1185-D1423 IonicContact NE-OD2 3Å; R1185-D1423 PolarHBondContact NE-OD2 2.78Å; R1185-D1423 IonicContact NH2-OD2 2.64Å; R1185-D1423 PolarHBondContact NH2-OD2 3.09Å; R1190-D1423 IonicContact CZ-OD2 2.7Å; R1190-D1423 IonicContact NE-OD2 3.64Å; R1190-D1423 IonicContact NH1-OD2 3.74Å; R1190-D1423 PolarHBondContact NH1-OD2 2.76Å; L1419-D1423 WeakPolarHBondContact O-CB 3.27Å; L1419-D1423 PolarHBondContact O-N 2.91Å; T1420-D1423 PolarHBondContact O-N 3.46Å; T1420-D1423 VanDerWaalsContact O-N 3.15Å; D1423-M1425 VanDerWaalsContact C-N 3.25Å; D1423-M1425 PolarHBondContact O-N 3.1Å; D1423-R1693 IonicContact OD1-NH2 3.24Å; D1423-R1693 PolarHBondContact OD1-NH2 3.33Å |
| 1424 | H | 80.8 | Confident | 82.8 | Confident | 53 Ų | 53 | 30 Ų | 30 | 25% | 0.245 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -5.3 | 168 | -72.1 | 75.7 | 0 | 0 | 0 | 113.8 | T1420 N1421 L1422 Y1489 | T1420-H1424 VanDerWaalsContact CG2-CE1 3.47Å; T1420-H1424 WeakPolarHBondContact CG2-CE1 3.39Å; T1420-H1424 PolarHBondContact O-N 3.2Å; T1420-H1424 PolarHBondContact O-ND1 2.84Å; N1421-H1424 PolarHBondContact O-N 3.22Å; L1422-H1424 VanDerWaalsContact C-N 3.3Å; L1422-H1424 PolarHBondContact O-N 2.9Å; H1424-Y1489 PolarHBondContact CD2-O 3.46Å; H1424-Y1489 WeakPolarHBondContact O-CB 3.38Å |
| 1425 | M | 83.4 | Confident | 83.8 | Confident | 35 Ų | 35 | 25.3 Ų | 25.3 | 17% | 0.172 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -75 | 130.8 | 173.8 | -64.3 | -174 | 70.1 | 0 | 0 | 111.5 | N1421 L1422 D1423 R1692 R1693 E1696 | N1421-M1425 PolarHBondContact O-N 3.38Å; L1422-M1425 HydrophobicContact CD1-SD 3.99Å; L1422-M1425 VanDerWaalsContact O-CB 3.26Å; L1422-M1425 WeakPolarHBondContact O-CB 3.39Å; L1422-M1425 WeakPolarHBondContact O-CG 3.37Å; L1422-M1425 PolarHBondContact O-N 3.09Å; D1423-M1425 VanDerWaalsContact C-N 3.25Å; D1423-M1425 PolarHBondContact O-N 3.1Å; M1425-R1692 HydrophobicContact CE-CB 4.25Å; M1425-R1693 HydrophobicContact CE-CB 4.31Å; M1425-R1693 PolarHBondContact O-NH1 2.74Å; M1425-R1693 VanDerWaalsContact O-NH1 3.11Å; M1425-R1693 HydrophobicContact SD-CG 4.46Å; M1425-E1696 HydrophobicContact CE-CB 4.18Å; M1425-E1696 HydrophobicContact SD-CB 3.88Å; M1425-E1696 HydrophobicContact SD-CG 4.09Å |
| 1426 | P | 81.9 | Confident | 84.6 | Confident | 14 Ų | 14 | 25.1 Ų | 25.1 | 9% | 0.091 | 14% | 0.139 | C | C | . | . | trans | -61.4 | 143.7 | -178.7 | 24.5 | -34.7 | 0 | 0 | 0 | 112.8 | Y1489 P1689 | P1426-Y1489 HydrophobicContact CB-CD2 4.44Å; P1426-Y1489 HydrophobicContact CB-CE1 4.34Å; P1426-Y1489 HydrophobicContact CB-CE2 3.75Å; P1426-Y1489 HydrophobicContact CG-CE2 4.38Å; P1426-P1689 VanDerWaalsContact O-CB 3.23Å; P1426-P1689 WeakPolarHBondContact O-CB 3.45Å | ||
| 1427 | T | 80.8 | Confident | 85.7 | Confident | 22 Ų | 22 | 23.6 Ų | 23.6 | 14% | 0.135 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -95.2 | -30 | 170.9 | 57.7 | 0 | 0 | 0 | 0 | 112.6 | T1115 F1188 | T1115-T1427 PolarHBondContact OG1-OG1 2.99Å; F1188-T1427 VanDerWaalsContact O-CG2 3.26Å; F1188-T1427 WeakPolarHBondContact O-CG2 3.32Å |
| 1428 | R | 82.4 | Confident | 86.4 | Confident | 17 Ų | 17 | 19 Ų | 19 | 6% | 0.064 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -112.5 | 166 | 177.6 | -73.8 | -174.7 | -70.3 | -160.5 | -0.9 | 111.4 | D1113 T1115 Y1521 A1523 D1524 I1526 E1528 P1689 | D1113-R1428 PolarHBondContact O-NH2 3.06Å; T1115-R1428 HydrophobicContact CG2-CG 4Å; R1428-Y1521 PolarHBondContact NH2-OH 3.45Å; R1428-A1523 VanDerWaalsContact NH1-CB 3.3Å; R1428-D1524 VanDerWaalsContact CD-O 3.22Å; R1428-D1524 WeakPolarHBondContact CD-O 3.23Å; R1428-D1524 PolarHBondContact NH1-O 3.01Å; R1428-I1526 WeakPolarHBondContact CB-O 3.46Å; R1428-E1528 HydrophobicContact CB-CG 3.78Å; R1428-E1528 IonicContact CZ-OE1 3.88Å; R1428-E1528 VanDerWaalsContact CZ-OE1 3.25Å; R1428-E1528 VanDerWaalsContact NE-CG 3.35Å; R1428-E1528 IonicContact NE-OE1 3.23Å; R1428-E1528 PolarHBondContact NE-OE1 3.08Å; R1428-E1528 IonicContact NH2-OE1 2.93Å; R1428-E1528 PolarHBondContact NH2-OE1 3.44Å; R1428-P1689 VanDerWaalsContact C-CG 3.5Å; R1428-P1689 WeakPolarHBondContact O-CG 3.26Å |
| 1429 | T | 85.4 | Confident | 87 | Confident | 9 Ų | 9 | 17.8 Ų | 17.8 | 6% | 0.055 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 118.6 | 173.9 | 60.8 | 0 | 0 | 0 | 0 | 110.1 | I1526 T1527 E1528 F1686 P1689 | T1429-I1526 PolarHBondContact N-O 2.68Å; T1429-I1526 PolarHBondContact OG1-O 3.03Å; T1429-T1527 CarbonylContact O-C 3.51Å; T1429-T1527 VanDerWaalsContact O-CA 3.29Å; T1429-T1527 WeakPolarHBondContact O-CA 3.44Å; T1429-T1527 WeakPolarHBondContact O-CG2 3.28Å; T1429-T1527 PolarHBondContact OG1-OG1 2.85Å; T1429-T1527 VanDerWaalsContact OG1-OG1 3.1Å; T1429-E1528 PolarHBondContact O-N 3.02Å; T1429-F1686 HydrophobicContact CG2-CZ 3.98Å; T1429-P1689 HydrophobicContact CG2-CG 3.95Å |
| 1430 | G | 84 | Confident | 87.4 | Confident | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.01 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 150.8 | 166.2 | 0 | 0 | 0 | 0 | 0 | 112 | E1528 T1585 G1586 R1680 | G1430-E1528 CarbonylContact C-O 3.5Å; G1430-E1528 WeakPolarHBondContact CA-O 3.48Å; G1430-T1585 CarbonylContact C-O 3.54Å; G1430-T1585 VanDerWaalsContact C-O 3.31Å; G1430-T1585 CarbonylContact O-C 3.56Å; G1430-G1586 WeakPolarHBondContact O-CA 3.37Å; G1430-G1586 PolarHBondContact O-N 2.83Å; G1430-R1680 PolarHBondContact O-NH1 2.68Å |
| 1431 | D | 87.2 | Confident | 87.7 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 149.7 | 169.5 | -78.9 | -40.9 | 0 | 0 | 0 | 109.3 | W1481 T1527 E1528 L1529 A1530 G1586 S1676 R1680 | D1431-W1481 PolarHBondContact O-NE1 3.45Å; D1431-T1527 HydrophobicContact CB-CG2 4.38Å; D1431-T1527 WeakPolarHBondContact OD2-CG2 3.49Å; D1431-E1528 PolarHBondContact N-O 2.69Å; D1431-L1529 HydrophobicContact CB-CD1 3.99Å; D1431-L1529 WeakPolarHBondContact O-CA 3.48Å; D1431-A1530 PolarHBondContact O-N 3.17Å; D1431-G1586 WeakPolarHBondContact OD1-CA 3.44Å; D1431-S1676 VanDerWaalsContact CG-CB 3.44Å; D1431-S1676 WeakPolarHBondContact OD1-CB 3.37Å; D1431-S1676 PolarHBondContact OD1-OG 3.41Å; D1431-S1676 WeakPolarHBondContact OD2-CB 3.22Å; D1431-R1680 IonicContact OD1-CZ 3.31Å; D1431-R1680 IonicContact OD1-NH1 2.81Å; D1431-R1680 PolarHBondContact OD1-NH1 3Å; D1431-R1680 IonicContact OD1-NH2 2.67Å; D1431-R1680 PolarHBondContact OD1-NH2 3.39Å; D1431-R1680 IonicContact OD2-CZ 3.34Å; D1431-R1680 IonicContact OD2-NH1 3.82Å; D1431-R1680 PolarHBondContact OD2-NH1 2.93Å; D1431-R1680 IonicContact OD2-NH2 3.01Å; D1431-R1680 PolarHBondContact OD2-NH2 3.06Å |
| 1432 | T | 89.5 | Confident | 88.1 | Confident | 8 Ų | 8 | 17.4 Ų | 17.4 | 5% | 0.049 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 126.5 | -174.4 | -50 | 0 | 0 | 0 | 0 | 112.3 | L1434 W1481 A1530 I1532 R1588 V1589 | T1432-L1434 HydrophobicContact CG2-CD2 4.24Å; T1432-W1481 WeakPolarHBondContact OG1-CZ2 3.47Å; T1432-W1481 PolarHBondContact OG1-NE1 2.92Å; T1432-A1530 CarbonylContact C-O 3.58Å; T1432-A1530 WeakPolarHBondContact CA-O 3.44Å; T1432-I1532 HydrophobicContact CG2-CD1 4.3Å; T1432-R1588 WeakPolarHBondContact O-CA 3.48Å; T1432-V1589 PolarHBondContact O-N 3.47Å |
| 1433 | L | 92.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 123.8 | 176.3 | -178.5 | 60.6 | 0 | 0 | 0 | 109.8 | V1435 I1469 L1529 A1530 C1531 I1532 V1589 V1591 V1668 V1672 | L1433-V1435 HydrophobicContact CD2-CG2 4.27Å; L1433-V1435 HydrophobicContact CG-CG2 4.06Å; L1433-I1469 HydrophobicContact CD2-CD1 4.28Å; L1433-I1469 HydrophobicContact CD2-CG2 4.32Å; L1433-L1529 HydrophobicContact CB-CD1 4.12Å; L1433-A1530 PolarHBondContact N-O 3.09Å; L1433-C1531 HydrophobicContact CB-CB 4.18Å; L1433-C1531 HydrophobicContact CD2-CB 4.35Å; L1433-C1531 WeakPolarHBondContact O-CA 3.4Å; L1433-I1532 PolarHBondContact O-N 2.94Å; L1433-V1589 HydrophobicContact CD1-CB 4.24Å; L1433-V1589 HydrophobicContact CD1-CG1 4.38Å; L1433-V1589 WeakPolarHBondContact CD1-O 3.46Å; L1433-V1591 HydrophobicContact CD1-CB 4.44Å; L1433-V1591 HydrophobicContact CD1-CG2 3.68Å; L1433-V1591 HydrophobicContact CG-CG2 4.49Å; L1433-V1668 HydrophobicContact CD2-CG1 4.32Å; L1433-V1672 HydrophobicContact CD1-CG2 3.78Å |
| 1434 | L | 94 | Very high | 88.6 | Confident | 3 Ų | 3 | 24.4 Ų | 24.4 | 2% | 0.016 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 129.1 | 171.5 | -57.1 | -172.9 | 0 | 0 | 0 | 109.3 | T1432 F1436 I1532 P1534 V1589 A1590 V1591 F1620 | T1432-L1434 HydrophobicContact CG2-CD2 4.24Å; L1434-F1436 HydrophobicContact CB-CE2 3.72Å; L1434-F1436 HydrophobicContact CB-CZ 4.04Å; L1434-F1436 HydrophobicContact CD1-CZ 4.23Å; L1434-I1532 CarbonylContact C-O 3.34Å; L1434-I1532 WeakPolarHBondContact CA-O 3.39Å; L1434-I1532 HydrophobicContact CD2-CB 4Å; L1434-I1532 HydrophobicContact CD2-CG2 4.3Å; L1434-P1534 HydrophobicContact CB-CG 4.33Å; L1434-P1534 HydrophobicContact CD2-CG 4.22Å; L1434-V1589 PolarHBondContact N-O 2.91Å; L1434-A1590 CarbonylContact O-C 3.4Å; L1434-A1590 WeakPolarHBondContact O-CA 3.44Å; L1434-V1591 PolarHBondContact O-N 2.73Å; L1434-F1620 HydrophobicContact CD1-CB 3.9Å; L1434-F1620 HydrophobicContact CD1-CD1 3.88Å; L1434-F1620 HydrophobicContact CD1-CG 4.15Å |
| 1435 | V | 95.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 120.9 | 179.9 | -171.8 | 0 | 0 | 0 | 0 | 110.4 | L1433 F1462 F1465 L1466 C1531 I1532 C1533 P1534 V1591 | L1433-V1435 HydrophobicContact CD2-CG2 4.27Å; L1433-V1435 HydrophobicContact CG-CG2 4.06Å; V1435-F1462 HydrophobicContact CG1-CE2 3.69Å; V1435-F1462 HydrophobicContact CG1-CZ 3.9Å; V1435-F1465 HydrophobicContact CG1-CE1 4.28Å; V1435-L1466 HydrophobicContact CB-CD2 4.28Å; V1435-L1466 HydrophobicContact CG1-CD2 4.09Å; V1435-L1466 HydrophobicContact CG2-CD2 4Å; V1435-C1531 WeakPolarHBondContact CG2-SG 3.29Å; V1435-I1532 PolarHBondContact N-O 3.19Å; V1435-C1533 WeakPolarHBondContact O-CA 3.46Å; V1435-P1534 WeakPolarHBondContact O-CD 3.2Å; V1435-V1591 CarbonylContact C-O 3.53Å; V1435-V1591 WeakPolarHBondContact CA-O 3.37Å; V1435-V1591 HydrophobicContact CG1-CB 4.33Å; V1435-V1591 HydrophobicContact CG1-CG1 4.12Å; V1435-V1591 HydrophobicContact CG2-CB 4.24Å |
| 1436 | F | 95.3 | Very high | 89.2 | Confident | 5 Ų | 5 | 23.4 Ų | 23.4 | 2% | 0.022 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 141.5 | 178.3 | -56.1 | -88 | 0 | 0 | 0 | 110 | L1434 I1448 L1449 P1534 A1590 V1591 V1592 W1593 M1615 T1616 F1620 | L1434-F1436 HydrophobicContact CB-CE2 3.72Å; L1434-F1436 HydrophobicContact CB-CZ 4.04Å; L1434-F1436 HydrophobicContact CD1-CZ 4.23Å; F1436-I1448 HydrophobicContact CB-CG2 4.46Å; F1436-L1449 HydrophobicContact CD1-CD2 4.22Å; F1436-L1449 HydrophobicContact CE1-CD2 4.05Å; F1436-P1534 HydrophobicContact CD1-CG 4.49Å; F1436-P1534 HydrophobicContact CE1-CB 4.02Å; F1436-P1534 HydrophobicContact CE1-CG 3.75Å; F1436-P1534 HydrophobicContact CZ-CG 3.93Å; F1436-A1590 HydrophobicContact CD2-CB 4.38Å; F1436-A1590 HydrophobicContact CE2-CB 4.02Å; F1436-V1591 PolarHBondContact N-O 3.42Å; F1436-V1592 HydrophobicContact CB-CG2 4.42Å; F1436-V1592 HydrophobicContact CD2-CG2 4.34Å; F1436-W1593 PolarHBondContact O-N 2.86Å; F1436-M1615 HydrophobicContact CD1-SD 4.42Å; F1436-M1615 HydrophobicContact CE1-SD 4.41Å; F1436-T1616 HydrophobicContact CD2-CG2 4.26Å; F1436-T1616 HydrophobicContact CE2-CG2 4.11Å; F1436-F1620 AromaticContact CE1-CD2 3.94Å; F1436-F1620 HydrophobicContact CE1-CD2 3.94Å; F1436-F1620 HydrophobicContact CE1-CE1 4.38Å; F1436-F1620 AromaticContact CE1-CE2 3.64Å; F1436-F1620 HydrophobicContact CE1-CE2 3.64Å; F1436-F1620 HydrophobicContact CE1-CG 4.44Å; F1436-F1620 AromaticContact CE1-CZ 3.89Å; F1436-F1620 HydrophobicContact CE1-CZ 3.89Å; F1436-F1620 HydrophobicContact CZ-CB 4.46Å; F1436-F1620 HydrophobicContact CZ-CD1 4.19Å; F1436-F1620 AromaticContact CZ-CD2 3.64Å; F1436-F1620 HydrophobicContact CZ-CD2 3.64Å; F1436-F1620 HydrophobicContact CZ-CE1 4.38Å; F1436-F1620 AromaticContact CZ-CE2 3.85Å; F1436-F1620 HydrophobicContact CZ-CE2 3.85Å; F1436-F1620 AromaticContact CZ-CG 3.83Å; F1436-F1620 HydrophobicContact CZ-CG 3.83Å; F1436-F1620 HydrophobicContact CZ-CZ 4.23Å |
| 1437 | Y | 95.8 | Very high | 89.7 | Confident | 6 Ų | 6 | 26.4 Ų | 26.4 | 2% | 0.024 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 127.2 | 170.6 | -173.7 | -83.6 | 0 | 0 | 0 | 108.4 | A1439 N1451 L1458 P1459 F1462 W1593 E1595 | Y1437-A1439 HydrophobicContact CE1-CB 4.31Å; Y1437-N1451 HydrophobicContact CD1-CB 4.17Å; Y1437-N1451 PolarHBondContact O-ND2 3.01Å; Y1437-L1458 HydrophobicContact CD1-CD2 3.94Å; Y1437-L1458 HydrophobicContact CD2-CD2 4.28Å; Y1437-L1458 HydrophobicContact CE1-CD2 4.04Å; Y1437-L1458 HydrophobicContact CE2-CD2 4.36Å; Y1437-L1458 HydrophobicContact CG-CD2 4.07Å; Y1437-P1459 VanDerWaalsContact CE2-CD 3.49Å; Y1437-P1459 HydrophobicContact CE2-CG 3.98Å; Y1437-P1459 WeakPolarHBondContact OH-CD 3.12Å; Y1437-P1459 WeakPolarHBondContact OH-CG 3.4Å; Y1437-F1462 HydrophobicContact CD2-CD1 4.1Å; Y1437-F1462 HydrophobicContact CD2-CD2 4.03Å; Y1437-F1462 HydrophobicContact CD2-CE1 4.28Å; Y1437-F1462 HydrophobicContact CD2-CE2 4.22Å; Y1437-F1462 AromaticContact CD2-CG 3.96Å; Y1437-F1462 HydrophobicContact CD2-CG 3.96Å; Y1437-F1462 HydrophobicContact CD2-CZ 4.34Å; Y1437-F1462 HydrophobicContact CE2-CB 4.44Å; Y1437-F1462 HydrophobicContact CE2-CG 4.36Å; Y1437-W1593 HydrophobicContact CD2-CB 4.27Å; Y1437-W1593 AromaticContact CD2-CD1 3.66Å; Y1437-W1593 HydrophobicContact CD2-CG 4.16Å; Y1437-W1593 AromaticContact CE2-CD1 3.45Å; Y1437-W1593 VanDerWaalsContact CE2-CD1 3.45Å; Y1437-W1593 HydrophobicContact CE2-CG 4.33Å; Y1437-W1593 AromaticContact CE2-NE1 3.91Å; Y1437-E1595 HydrophobicContact CE1-CG 4.18Å; Y1437-E1595 WeakPolarHBondContact CE1-OE1 3.38Å; Y1437-E1595 VanDerWaalsContact OH-CG 3.23Å; Y1437-E1595 WeakPolarHBondContact OH-CG 3.47Å; Y1437-E1595 PolarHBondContact OH-OE1 2.89Å |
| 1438 | V | 94.9 | Very high | 90.3 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.006 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 113.3 | -179.2 | 179.3 | 0 | 0 | 0 | 0 | 108.5 | Q1442 I1448 V1592 W1593 L1594 E1595 I1612 | V1438-Q1442 HydrophobicContact CG1-CB 4.16Å; V1438-I1448 HydrophobicContact CG1-CD1 4.21Å; V1438-I1448 HydrophobicContact CG1-CG1 4.35Å; V1438-I1448 HydrophobicContact CG2-CD1 4Å; V1438-I1448 HydrophobicContact CG2-CG1 4.12Å; V1438-I1448 HydrophobicContact CG2-CG2 3.94Å; V1438-V1592 HydrophobicContact CB-CG1 4.45Å; V1438-V1592 HydrophobicContact CG2-CG1 3.63Å; V1438-W1593 PolarHBondContact N-O 3.19Å; V1438-L1594 HydrophobicContact CB-CD2 4.05Å; V1438-L1594 HydrophobicContact CG1-CD2 4.25Å; V1438-L1594 HydrophobicContact CG2-CD2 4.44Å; V1438-E1595 PolarHBondContact O-N 3.27Å; V1438-E1595 VanDerWaalsContact O-N 3.12Å; V1438-I1612 HydrophobicContact CG1-CD1 3.81Å; V1438-I1612 HydrophobicContact CG2-CD1 4.19Å |
| 1439 | A | 93.2 | Very high | 90.8 | Very high | 19 Ų | 19 | 24.7 Ų | 24.7 | 16% | 0.157 | 16% | 0.156 | C | C | . | . | trans | -76.6 | 156.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111 | Y1437 G1441 Q1442 E1595 | Y1437-A1439 HydrophobicContact CE1-CB 4.31Å; A1439-G1441 PolarHBondContact O-N 3.48Å; A1439-Q1442 HydrophobicContact CB-CG 4.13Å; A1439-Q1442 VanDerWaalsContact O-CB 3.31Å; A1439-Q1442 WeakPolarHBondContact O-CB 3.39Å; A1439-Q1442 WeakPolarHBondContact O-CG 3.31Å; A1439-Q1442 PolarHBondContact O-N 2.83Å; A1439-E1595 VanDerWaalsContact CA-CD 3.46Å; A1439-E1595 VanDerWaalsContact CA-OE2 3.25Å; A1439-E1595 WeakPolarHBondContact CA-OE2 3.43Å; A1439-E1595 WeakPolarHBondContact CB-OE2 3.45Å | ||
| 1440 | A | 90.2 | Very high | 91.1 | Very high | 60 Ų | 60 | 25.8 Ų | 25.8 | 50% | 0.496 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 123.2 | -169.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q1442 E1595 R1596 D1599 | A1440-Q1442 VanDerWaalsContact C-N 3.33Å; A1440-Q1442 PolarHBondContact O-N 2.83Å; A1440-E1595 HydrophobicContact CB-CB 4.28Å; A1440-E1595 PolarHBondContact N-OE2 3.5Å; A1440-R1596 HydrophobicContact CB-CB 4.26Å; A1440-D1599 WeakPolarHBondContact CA-OD2 3.41Å |
| 1441 | G | 85.8 | Confident | 91.5 | Very high | 39 Ų | 39 | 26.4 Ų | 26.4 | 40% | 0.402 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | -1.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | A1439 S1443 D1599 | A1439-G1441 PolarHBondContact O-N 3.48Å; G1441-S1443 PolarHBondContact O-N 2.78Å; G1441-D1599 PolarHBondContact N-OD2 2.82Å |
| 1442 | Q | 90.6 | Very high | 91.7 | Very high | 41 Ų | 41 | 26.5 Ų | 26.5 | 19% | 0.192 | 17% | 0.17 | C | C | . | . | trans | -70.2 | 129.4 | 178.1 | -72.8 | -177.8 | -22.6 | 0 | 0 | 112 | V1438 A1439 A1440 I1448 N1451 V1608 | V1438-Q1442 HydrophobicContact CG1-CB 4.16Å; A1439-Q1442 HydrophobicContact CB-CG 4.13Å; A1439-Q1442 VanDerWaalsContact O-CB 3.31Å; A1439-Q1442 WeakPolarHBondContact O-CB 3.39Å; A1439-Q1442 WeakPolarHBondContact O-CG 3.31Å; A1439-Q1442 PolarHBondContact O-N 2.83Å; A1440-Q1442 VanDerWaalsContact C-N 3.33Å; A1440-Q1442 PolarHBondContact O-N 2.83Å; Q1442-I1448 HydrophobicContact CB-CD1 4.38Å; Q1442-I1448 HydrophobicContact CB-CG1 3.92Å; Q1442-N1451 PolarHBondContact NE2-OD1 2.88Å; Q1442-N1451 PolarHBondContact OE1-ND2 2.88Å; Q1442-V1608 WeakPolarHBondContact O-CG1 3.48Å | ||
| 1443 | S | 86.5 | Confident | 91.5 | Very high | 39 Ų | 39 | 33.3 Ų | 33.3 | 27% | 0.273 | 20% | 0.199 | S | C | . | . | trans | -131.2 | -10.9 | -179.8 | 58 | 0 | 0 | 0 | 0 | 115.3 | G1441 | G1441-S1443 PolarHBondContact O-N 2.78Š| ||
| 1444 | K | 89.9 | Confident | 91.3 | Very high | 140 Ų | 140 | 37.4 Ų | 37.4 | 61% | 0.609 | 22% | 0.22 | S | C | * | . | trans | -88 | 136.8 | 178.2 | -61 | -177.1 | -174.3 | 170.8 | 0 | 110.5 | G1446 D1447 I1448 | K1444-G1446 PolarHBondContact O-N 2.78Å; K1444-D1447 HydrophobicContact CB-CB 4.33Å; K1444-D1447 WeakPolarHBondContact CB-OD2 3.39Å; K1444-D1447 WeakPolarHBondContact CD-OD2 3.17Å; K1444-D1447 PolarHBondContact O-N 3.15Å; K1444-I1448 PolarHBondContact O-N 3.28Å | ||
| 1445 | V | 89.1 | Confident | 90.9 | Very high | 36 Ų | 36 | 37.7 Ų | 37.7 | 22% | 0.218 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -54.9 | -50 | 179.5 | -177.8 | 0 | 0 | 0 | 0 | 111.6 | D1447 I1448 L1449 Y1539 M1615 | V1445-D1447 VanDerWaalsContact C-N 3.31Å; V1445-D1447 PolarHBondContact O-N 3.18Å; V1445-I1448 PolarHBondContact O-N 2.86Å; V1445-L1449 HydrophobicContact CG1-CD1 3.75Å; V1445-L1449 HydrophobicContact CG1-CG 4.3Å; V1445-L1449 WeakPolarHBondContact O-CB 3.33Å; V1445-L1449 VanDerWaalsContact O-CG 3.3Å; V1445-L1449 WeakPolarHBondContact O-CG 3.34Å; V1445-L1449 PolarHBondContact O-N 2.86Å; V1445-Y1539 HydrophobicContact CG1-CE1 4.24Å; V1445-M1615 HydrophobicContact CB-CE 4.29Å; V1445-M1615 HydrophobicContact CB-CG 4.48Å; V1445-M1615 HydrophobicContact CB-SD 4.48Å; V1445-M1615 HydrophobicContact CG1-CE 4.47Å; V1445-M1615 HydrophobicContact CG1-CG 4.01Å; V1445-M1615 HydrophobicContact CG1-SD 4.03Å; V1445-M1615 HydrophobicContact CG2-CB 4.2Å; V1445-M1615 HydrophobicContact CG2-CE 4.04Å; V1445-M1615 HydrophobicContact CG2-CG 3.91Å; V1445-M1615 HydrophobicContact CG2-SD 4.39Å |
| 1446 | G | 88.5 | Confident | 90.5 | Very high | 32 Ų | 32 | 42.5 Ų | 42.5 | 33% | 0.33 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.7 | -29.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | K1444 A1450 N1536 | K1444-G1446 PolarHBondContact O-N 2.78Å; G1446-A1450 VanDerWaalsContact O-CB 3.28Å; G1446-A1450 WeakPolarHBondContact O-CB 3.48Å; G1446-A1450 PolarHBondContact O-N 3.12Å; G1446-A1450 VanDerWaalsContact O-N 3.12Å; G1446-N1536 PolarHBondContact O-ND2 3.38Å |
| 1447 | D | 91.7 | Very high | 90.2 | Very high | 76 Ų | 76 | 52.5 Ų | 52.5 | 41% | 0.406 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -74.9 | -45.8 | 177.4 | -61.1 | -18 | 0 | 0 | 0 | 110.2 | K1444 V1445 L1449 A1450 N1451 | K1444-D1447 HydrophobicContact CB-CB 4.33Å; K1444-D1447 WeakPolarHBondContact CB-OD2 3.39Å; K1444-D1447 WeakPolarHBondContact CD-OD2 3.17Å; K1444-D1447 PolarHBondContact O-N 3.15Å; V1445-D1447 VanDerWaalsContact C-N 3.31Å; V1445-D1447 PolarHBondContact O-N 3.18Å; D1447-L1449 PolarHBondContact O-N 2.87Å; D1447-A1450 WeakPolarHBondContact O-CB 3.25Å; D1447-A1450 PolarHBondContact O-N 3.31Å; D1447-N1451 PolarHBondContact O-N 3.35Å; D1447-N1451 PolarHBondContact O-OD1 3.26Å |
| 1448 | I | 93.4 | Very high | 89.9 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 177.7 | -72.1 | 166.5 | 0 | 0 | 0 | 111 | F1436 V1438 Q1442 K1444 V1445 A1450 N1451 I1612 M1615 | F1436-I1448 HydrophobicContact CB-CG2 4.46Å; V1438-I1448 HydrophobicContact CG1-CD1 4.21Å; V1438-I1448 HydrophobicContact CG1-CG1 4.35Å; V1438-I1448 HydrophobicContact CG2-CD1 4Å; V1438-I1448 HydrophobicContact CG2-CG1 4.12Å; V1438-I1448 HydrophobicContact CG2-CG2 3.94Å; Q1442-I1448 HydrophobicContact CB-CD1 4.38Å; Q1442-I1448 HydrophobicContact CB-CG1 3.92Å; K1444-I1448 PolarHBondContact O-N 3.28Å; V1445-I1448 PolarHBondContact O-N 2.86Å; I1448-A1450 VanDerWaalsContact C-N 3.27Å; I1448-A1450 PolarHBondContact O-N 3.15Å; I1448-N1451 WeakPolarHBondContact O-CB 3.49Å; I1448-N1451 PolarHBondContact O-N 2.91Å; I1448-N1451 PolarHBondContact O-ND2 2.88Å; I1448-I1612 HydrophobicContact CD1-CD1 4.5Å; I1448-I1612 HydrophobicContact CD1-CG1 3.98Å; I1448-M1615 HydrophobicContact CB-CE 4.12Å; I1448-M1615 HydrophobicContact CD1-CE 3.51Å; I1448-M1615 HydrophobicContact CG1-CE 4.39Å; I1448-M1615 HydrophobicContact CG2-CE 4.06Å; I1448-M1615 HydrophobicContact CG2-SD 4.36Å |
| 1449 | L | 92.6 | Very high | 89.8 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -18 | 174.5 | -66.6 | 177.7 | 0 | 0 | 0 | 113.7 | F1436 V1445 D1447 P1534 N1536 Y1539 F1620 | F1436-L1449 HydrophobicContact CD1-CD2 4.22Å; F1436-L1449 HydrophobicContact CE1-CD2 4.05Å; V1445-L1449 HydrophobicContact CG1-CD1 3.75Å; V1445-L1449 HydrophobicContact CG1-CG 4.3Å; V1445-L1449 WeakPolarHBondContact O-CB 3.33Å; V1445-L1449 VanDerWaalsContact O-CG 3.3Å; V1445-L1449 WeakPolarHBondContact O-CG 3.34Å; V1445-L1449 PolarHBondContact O-N 2.86Å; D1447-L1449 PolarHBondContact O-N 2.87Å; L1449-P1534 HydrophobicContact CD2-CB 3.8Å; L1449-P1534 WeakPolarHBondContact CD2-O 3.34Å; L1449-N1536 WeakPolarHBondContact CB-OD1 3.26Å; L1449-N1536 WeakPolarHBondContact CD1-OD1 3.45Å; L1449-Y1539 HydrophobicContact CD1-CD1 4.1Å; L1449-Y1539 HydrophobicContact CD1-CG 3.87Å; L1449-F1620 HydrophobicContact CD1-CZ 4.27Å; L1449-F1620 HydrophobicContact CD2-CZ 4.01Å |
| 1450 | A | 92 | Very high | 89.6 | Confident | 33 Ų | 33 | 58.5 Ų | 58.5 | 27% | 0.273 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -23.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G1446 D1447 I1448 M1452 K1453 | G1446-A1450 VanDerWaalsContact O-CB 3.28Å; G1446-A1450 WeakPolarHBondContact O-CB 3.48Å; G1446-A1450 PolarHBondContact O-N 3.12Å; G1446-A1450 VanDerWaalsContact O-N 3.12Å; D1447-A1450 WeakPolarHBondContact O-CB 3.25Å; D1447-A1450 PolarHBondContact O-N 3.31Å; I1448-A1450 VanDerWaalsContact C-N 3.27Å; I1448-A1450 PolarHBondContact O-N 3.15Å; A1450-M1452 PolarHBondContact O-N 3Å; A1450-K1453 VanDerWaalsContact O-CB 3.28Å; A1450-K1453 WeakPolarHBondContact O-CB 3.4Å; A1450-K1453 PolarHBondContact O-N 3.36Å |
| 1451 | N | 93 | Very high | 89.7 | Confident | 13 Ų | 13 | 57.2 Ų | 57.2 | 7% | 0.07 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -56 | -34.1 | 177.8 | -64.3 | -27.2 | 0 | 0 | 0 | 112.7 | Y1437 Q1442 D1447 I1448 K1453 I1454 | Y1437-N1451 HydrophobicContact CD1-CB 4.17Å; Y1437-N1451 PolarHBondContact O-ND2 3.01Å; Q1442-N1451 PolarHBondContact NE2-OD1 2.88Å; Q1442-N1451 PolarHBondContact OE1-ND2 2.88Å; D1447-N1451 PolarHBondContact O-N 3.35Å; D1447-N1451 PolarHBondContact O-OD1 3.26Å; I1448-N1451 WeakPolarHBondContact O-CB 3.49Å; I1448-N1451 PolarHBondContact O-N 2.91Å; I1448-N1451 PolarHBondContact O-ND2 2.88Å; N1451-K1453 PolarHBondContact O-N 3.26Å; N1451-I1454 WeakPolarHBondContact O-CG1 3.47Å; N1451-I1454 PolarHBondContact O-N 3.49Å; N1451-I1454 VanDerWaalsContact O-N 3.11Å |
| 1452 | M | 90.6 | Very high | 90.1 | Very high | 3 Ų | 3 | 55.3 Ų | 55.3 | 2% | 0.015 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -66.3 | -17.6 | 178 | -62.9 | -55.1 | 168.3 | 0 | 0 | 113.5 | A1450 I1454 W1455 L1458 F1462 C1533 T1535 | A1450-M1452 PolarHBondContact O-N 3Å; M1452-I1454 VanDerWaalsContact C-N 3.26Å; M1452-I1454 PolarHBondContact O-N 3.28Å; M1452-W1455 PolarHBondContact O-N 3.01Å; M1452-L1458 HydrophobicContact SD-CD1 4.22Å; M1452-F1462 HydrophobicContact CE-CE1 4.4Å; M1452-F1462 HydrophobicContact CE-CZ 4.04Å; M1452-C1533 HydrophobicContact CE-CB 4.06Å; M1452-C1533 HydrophobicContact CG-CB 4.26Å; M1452-C1533 HydrophobicContact SD-CB 3.83Å; M1452-T1535 HydrophobicContact CB-CG2 3.92Å |
| 1453 | K | 86.2 | Confident | 90.1 | Very high | 150 Ų | 150 | 54.2 Ų | 54.2 | 65% | 0.652 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -71.3 | -19.4 | 173.5 | -61.6 | -176.6 | 175.2 | -175.9 | 0 | 113.6 | A1450 N1451 | A1450-K1453 VanDerWaalsContact O-CB 3.28Å; A1450-K1453 WeakPolarHBondContact O-CB 3.4Å; A1450-K1453 PolarHBondContact O-N 3.36Å; N1451-K1453 PolarHBondContact O-N 3.26Å |
| 1454 | I | 87.3 | Confident | 90.3 | Very high | 86 Ų | 86 | 56.3 Ų | 56.3 | 44% | 0.441 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -106.7 | 33.1 | 177.3 | 54.2 | 172.5 | 0 | 0 | 0 | 111.4 | N1451 M1452 P1456 R1457 | N1451-I1454 WeakPolarHBondContact O-CG1 3.47Å; N1451-I1454 PolarHBondContact O-N 3.49Å; N1451-I1454 VanDerWaalsContact O-N 3.11Å; M1452-I1454 VanDerWaalsContact C-N 3.26Å; M1452-I1454 PolarHBondContact O-N 3.28Å; I1454-P1456 VanDerWaalsContact O-N 3.17Å; I1454-R1457 WeakPolarHBondContact O-CB 3.27Å; I1454-R1457 PolarHBondContact O-N 2.89Å |
| 1455 | W | 87.1 | Confident | 90.5 | Very high | 9 Ų | 9 | 49.6 Ų | 49.6 | 3% | 0.034 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -41.4 | -48.7 | -177.3 | 170.1 | -99.4 | 0 | 0 | 0 | 115.4 | M1452 R1457 L1458 F1462 H1463 L1466 A1509 C1512 P1513 | M1452-W1455 PolarHBondContact O-N 3.01Å; W1455-R1457 PolarHBondContact O-N 3.03Å; W1455-L1458 HydrophobicContact CE3-CD1 4.01Å; W1455-L1458 PolarHBondContact O-N 2.97Å; W1455-F1462 HydrophobicContact CZ3-CE1 4.13Å; W1455-H1463 AromaticContact CD2-CE1 3.74Å; W1455-H1463 AromaticContact CE2-CE1 3.64Å; W1455-H1463 AromaticContact CE2-ND1 3.84Å; W1455-H1463 AromaticContact CE3-CE1 4Å; W1455-H1463 AromaticContact CH2-ND1 3.7Å; W1455-H1463 AromaticContact CZ2-CE1 3.82Å; W1455-H1463 AromaticContact CZ2-ND1 3.53Å; W1455-H1463 PolarHBondContact O-CE1 3.07Å; W1455-H1463 VanDerWaalsContact O-CE1 3.23Å; W1455-H1463 PolarHBondContact O-NE2 2.86Å; W1455-L1466 HydrophobicContact CH2-CD1 3.56Å; W1455-L1466 HydrophobicContact CZ3-CD1 3.62Å; W1455-A1509 PolarHBondContact NE1-O 2.99Å; W1455-C1512 HydrophobicContact CB-CB 3.98Å; W1455-C1512 HydrophobicContact CD2-CB 3.83Å; W1455-C1512 HydrophobicContact CE3-CB 3.77Å; W1455-C1512 HydrophobicContact CG-CB 3.93Å; W1455-P1513 HydrophobicContact CH2-CG 4.14Å; W1455-P1513 HydrophobicContact CZ3-CG 4.37Å |
| 1456 | P | 86.2 | Confident | 90.7 | Very high | 101 Ų | 101 | 48 Ų | 48 | 66% | 0.656 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -69 | -3.4 | -179.9 | -19.5 | 33.6 | 0 | 0 | 0 | 115.5 | I1454 | I1454-P1456 VanDerWaalsContact O-N 3.17Š|
| 1457 | R | 88.4 | Confident | 90.8 | Very high | 216 Ų | 216 | 49.4 Ų | 49.4 | 82% | 0.815 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -109.9 | 1.5 | 178.8 | -62.1 | -177.1 | 176.6 | 175.7 | -0.9 | 113.1 | I1454 W1455 | I1454-R1457 WeakPolarHBondContact O-CB 3.27Å; I1454-R1457 PolarHBondContact O-N 2.89Å; W1455-R1457 PolarHBondContact O-N 3.03Å |
| 1458 | L | 91.3 | Very high | 90.7 | Very high | 15 Ų | 15 | 47.3 Ų | 47.3 | 8% | 0.079 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -72.2 | 158.8 | 176.1 | -61.3 | 177 | 0 | 0 | 0 | 110.3 | Y1437 M1452 W1455 F1462 H1463 | Y1437-L1458 HydrophobicContact CD1-CD2 3.94Å; Y1437-L1458 HydrophobicContact CD2-CD2 4.28Å; Y1437-L1458 HydrophobicContact CE1-CD2 4.04Å; Y1437-L1458 HydrophobicContact CE2-CD2 4.36Å; Y1437-L1458 HydrophobicContact CG-CD2 4.07Å; M1452-L1458 HydrophobicContact SD-CD1 4.22Å; W1455-L1458 HydrophobicContact CE3-CD1 4.01Å; W1455-L1458 PolarHBondContact O-N 2.97Å; L1458-F1462 HydrophobicContact CB-CD1 4.15Å; L1458-F1462 HydrophobicContact CD1-CD1 3.87Å; L1458-F1462 HydrophobicContact CD1-CE1 3.73Å; L1458-H1463 PolarHBondContact O-NE2 3.43Å |
| 1459 | P | 92.1 | Very high | 90.6 | Very high | 52 Ų | 52 | 47.3 Ų | 47.3 | 34% | 0.338 | 25% | 0.252 | S | S | . | . | trans | -62.6 | 140.2 | -177.5 | -23.2 | 33.9 | 0 | 0 | 0 | 112.7 | Y1437 A1461 F1462 H1463 | Y1437-P1459 VanDerWaalsContact CE2-CD 3.49Å; Y1437-P1459 HydrophobicContact CE2-CG 3.98Å; Y1437-P1459 WeakPolarHBondContact OH-CD 3.12Å; Y1437-P1459 WeakPolarHBondContact OH-CG 3.4Å; P1459-A1461 PolarHBondContact O-N 3.2Å; P1459-A1461 VanDerWaalsContact O-N 3.15Å; P1459-F1462 WeakPolarHBondContact O-CA 3.37Å; P1459-F1462 VanDerWaalsContact O-CB 3.29Å; P1459-F1462 WeakPolarHBondContact O-CB 3.24Å; P1459-F1462 PolarHBondContact O-N 3.19Å; P1459-H1463 PolarHBondContact O-N 3.24Å | ||
| 1460 | E | 89.6 | Confident | 90.4 | Very high | 85 Ų | 85 | 48.1 Ų | 48.1 | 40% | 0.397 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -53.5 | -37.1 | 176.7 | 175.7 | 57.1 | -160.5 | 0 | 0 | 112.8 | F1462 H1463 Q1464 | E1460-F1462 VanDerWaalsContact C-N 3.25Å; E1460-F1462 PolarHBondContact O-N 3.03Å; E1460-H1463 PolarHBondContact O-N 2.76Å; E1460-Q1464 HydrophobicContact CG-CG 4.34Å; E1460-Q1464 WeakPolarHBondContact O-CB 3.46Å; E1460-Q1464 WeakPolarHBondContact O-CG 3.47Å; E1460-Q1464 PolarHBondContact O-N 3.3Å; E1460-Q1464 VanDerWaalsContact OE1-CG 3.29Å; E1460-Q1464 WeakPolarHBondContact OE1-CG 3.36Å; E1460-Q1464 PolarHBondContact OE1-NE2 3.31Å |
| 1461 | A | 90.8 | Very high | 90.1 | Very high | 32 Ų | 32 | 48.6 Ų | 48.6 | 26% | 0.264 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61 | -30.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | P1459 F1465 W1593 Q1661 | P1459-A1461 PolarHBondContact O-N 3.2Å; P1459-A1461 VanDerWaalsContact O-N 3.15Å; A1461-F1465 WeakPolarHBondContact O-CB 3.42Å; A1461-F1465 PolarHBondContact O-N 3.4Å; A1461-F1465 VanDerWaalsContact O-N 3.09Å; A1461-W1593 HydrophobicContact CB-CH2 4.18Å; A1461-W1593 HydrophobicContact CB-CZ2 3.99Å; A1461-W1593 WeakPolarHBondContact O-CH2 3.3Å; A1461-Q1661 PolarHBondContact O-NE2 3.28Å |
| 1462 | F | 94.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -72.7 | -43.6 | 174.8 | -179.9 | -112.1 | 0 | 0 | 0 | 111.2 | V1435 Y1437 M1452 W1455 L1458 P1459 E1460 F1465 L1466 W1593 | V1435-F1462 HydrophobicContact CG1-CE2 3.69Å; V1435-F1462 HydrophobicContact CG1-CZ 3.9Å; Y1437-F1462 HydrophobicContact CD2-CD1 4.1Å; Y1437-F1462 HydrophobicContact CD2-CD2 4.03Å; Y1437-F1462 HydrophobicContact CD2-CE1 4.28Å; Y1437-F1462 HydrophobicContact CD2-CE2 4.22Å; Y1437-F1462 AromaticContact CD2-CG 3.96Å; Y1437-F1462 HydrophobicContact CD2-CG 3.96Å; Y1437-F1462 HydrophobicContact CD2-CZ 4.34Å; Y1437-F1462 HydrophobicContact CE2-CB 4.44Å; Y1437-F1462 HydrophobicContact CE2-CG 4.36Å; M1452-F1462 HydrophobicContact CE-CE1 4.4Å; M1452-F1462 HydrophobicContact CE-CZ 4.04Å; W1455-F1462 HydrophobicContact CZ3-CE1 4.13Å; L1458-F1462 HydrophobicContact CB-CD1 4.15Å; L1458-F1462 HydrophobicContact CD1-CD1 3.87Å; L1458-F1462 HydrophobicContact CD1-CE1 3.73Å; P1459-F1462 WeakPolarHBondContact O-CA 3.37Å; P1459-F1462 VanDerWaalsContact O-CB 3.29Å; P1459-F1462 WeakPolarHBondContact O-CB 3.24Å; P1459-F1462 PolarHBondContact O-N 3.19Å; E1460-F1462 VanDerWaalsContact C-N 3.25Å; E1460-F1462 PolarHBondContact O-N 3.03Å; F1462-F1465 PolarHBondContact O-N 2.9Å; F1462-L1466 HydrophobicContact CD1-CD1 4.1Å; F1462-L1466 HydrophobicContact CE1-CD1 3.55Å; F1462-L1466 HydrophobicContact CE1-CG 4.48Å; F1462-L1466 HydrophobicContact CE2-CD1 4.27Å; F1462-L1466 HydrophobicContact CE2-CG 4.45Å; F1462-L1466 HydrophobicContact CZ-CD1 3.66Å; F1462-L1466 HydrophobicContact CZ-CG 4.31Å; F1462-L1466 WeakPolarHBondContact O-CG 3.3Å; F1462-L1466 PolarHBondContact O-N 2.89Å; F1462-W1593 HydrophobicContact CB-CD2 4.37Å; F1462-W1593 HydrophobicContact CB-CZ2 4.38Å; F1462-W1593 HydrophobicContact CD2-CB 3.82Å; F1462-W1593 AromaticContact CD2-CD2 3.62Å; F1462-W1593 HydrophobicContact CD2-CD2 3.62Å; F1462-W1593 AromaticContact CD2-CE3 3.84Å; F1462-W1593 HydrophobicContact CD2-CE3 3.84Å; F1462-W1593 AromaticContact CD2-CG 3.62Å; F1462-W1593 HydrophobicContact CD2-CG 3.62Å; F1462-W1593 HydrophobicContact CE2-CB 3.81Å; F1462-W1593 HydrophobicContact CE2-CD2 4.45Å; F1462-W1593 HydrophobicContact CE2-CG 4.14Å; F1462-W1593 HydrophobicContact CG-CD2 4.46Å |
| 1463 | H | 91.7 | Very high | 89.6 | Confident | 18 Ų | 18 | 53.6 Ų | 53.6 | 8% | 0.083 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.6 | -42 | 174.8 | -65.7 | -66.1 | 0 | 0 | 0 | 112.2 | W1455 L1458 P1459 E1460 F1465 L1466 S1467 | W1455-H1463 AromaticContact CD2-CE1 3.74Å; W1455-H1463 AromaticContact CE2-CE1 3.64Å; W1455-H1463 AromaticContact CE2-ND1 3.84Å; W1455-H1463 AromaticContact CE3-CE1 4Å; W1455-H1463 AromaticContact CH2-ND1 3.7Å; W1455-H1463 AromaticContact CZ2-CE1 3.82Å; W1455-H1463 AromaticContact CZ2-ND1 3.53Å; W1455-H1463 PolarHBondContact O-CE1 3.07Å; W1455-H1463 VanDerWaalsContact O-CE1 3.23Å; W1455-H1463 PolarHBondContact O-NE2 2.86Å; L1458-H1463 PolarHBondContact O-NE2 3.43Å; P1459-H1463 PolarHBondContact O-N 3.24Å; E1460-H1463 PolarHBondContact O-N 2.76Å; H1463-F1465 PolarHBondContact O-N 2.84Å; H1463-L1466 PolarHBondContact O-N 2.88Å; H1463-S1467 WeakPolarHBondContact O-CB 3.21Å; H1463-S1467 PolarHBondContact O-N 3.35Å; H1463-S1467 PolarHBondContact O-OG 2.97Å |
| 1464 | Q | 90 | Very high | 89.6 | Confident | 82 Ų | 82 | 50 Ų | 50 | 38% | 0.383 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.4 | -45.2 | 174.7 | -73.7 | 179.7 | 9.7 | 0 | 0 | 111.7 | E1460 L1466 S1467 G1468 Q1661 | E1460-Q1464 HydrophobicContact CG-CG 4.34Å; E1460-Q1464 WeakPolarHBondContact O-CB 3.46Å; E1460-Q1464 WeakPolarHBondContact O-CG 3.47Å; E1460-Q1464 PolarHBondContact O-N 3.3Å; E1460-Q1464 VanDerWaalsContact OE1-CG 3.29Å; E1460-Q1464 WeakPolarHBondContact OE1-CG 3.36Å; E1460-Q1464 PolarHBondContact OE1-NE2 3.31Å; Q1464-L1466 PolarHBondContact O-N 3.1Å; Q1464-S1467 PolarHBondContact O-N 3.3Å; Q1464-S1467 PolarHBondContact O-OG 3.47Å; Q1464-G1468 PolarHBondContact O-N 2.92Å; Q1464-Q1661 HydrophobicContact CB-CG 4.39Å |
| 1465 | F | 94.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -56.3 | -51.2 | 175.7 | 161.5 | -108.9 | 0 | 0 | 0 | 111.1 | V1435 A1461 F1462 H1463 S1467 G1468 I1469 V1591 W1593 I1628 Q1661 L1664 S1665 V1668 | V1435-F1465 HydrophobicContact CG1-CE1 4.28Å; A1461-F1465 WeakPolarHBondContact O-CB 3.42Å; A1461-F1465 PolarHBondContact O-N 3.4Å; A1461-F1465 VanDerWaalsContact O-N 3.09Å; F1462-F1465 PolarHBondContact O-N 2.9Å; H1463-F1465 PolarHBondContact O-N 2.84Å; F1465-S1467 PolarHBondContact O-N 2.81Å; F1465-G1468 WeakPolarHBondContact O-CA 3.39Å; F1465-G1468 PolarHBondContact O-N 3.18Å; F1465-G1468 VanDerWaalsContact O-N 3.1Å; F1465-I1469 HydrophobicContact CE1-CG1 4.5Å; F1465-I1469 HydrophobicContact CE2-CD1 3.87Å; F1465-I1469 HydrophobicContact CE2-CG1 4.05Å; F1465-I1469 HydrophobicContact CZ-CD1 3.99Å; F1465-I1469 HydrophobicContact CZ-CG1 4.02Å; F1465-I1469 PolarHBondContact O-N 3.37Å; F1465-V1591 HydrophobicContact CE1-CG1 4.04Å; F1465-V1591 HydrophobicContact CZ-CG1 4.02Å; F1465-W1593 HydrophobicContact CB-CH2 4.34Å; F1465-W1593 HydrophobicContact CB-CZ3 3.74Å; F1465-W1593 HydrophobicContact CD1-CE3 4.12Å; F1465-W1593 HydrophobicContact CD1-CZ3 4.1Å; F1465-W1593 HydrophobicContact CG-CE3 4.38Å; F1465-W1593 AromaticContact CG-CZ3 3.9Å; F1465-W1593 HydrophobicContact CG-CZ3 3.9Å; F1465-I1628 HydrophobicContact CD2-CD1 4.46Å; F1465-I1628 HydrophobicContact CE1-CD1 4.29Å; F1465-I1628 HydrophobicContact CE2-CD1 3.85Å; F1465-I1628 HydrophobicContact CZ-CD1 3.76Å; F1465-Q1661 VanDerWaalsContact N-NE2 3.16Å; F1465-L1664 HydrophobicContact CB-CD2 4.4Å; F1465-L1664 HydrophobicContact CD2-CD2 3.61Å; F1465-L1664 HydrophobicContact CD2-CG 3.8Å; F1465-L1664 HydrophobicContact CE2-CD2 4.27Å; F1465-L1664 HydrophobicContact CE2-CG 4.11Å; F1465-L1664 HydrophobicContact CG-CD2 4.24Å; F1465-S1665 WeakPolarHBondContact CD2-OG 3.44Å; F1465-S1665 PolarHBondContact O-OG 3.27Å; F1465-V1668 HydrophobicContact CE2-CB 4.25Å; F1465-V1668 HydrophobicContact CE2-CG1 4.39Å; F1465-V1668 HydrophobicContact CE2-CG2 4.05Å; F1465-V1668 HydrophobicContact CZ-CG1 4.27Å; F1465-V1668 HydrophobicContact CZ-CG2 4.5Å |
| 1466 | L | 93.2 | Very high | 89.3 | Confident | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.016 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.9 | -42.6 | 178.9 | -74.3 | -177.7 | 0 | 0 | 0 | 112.9 | V1435 W1455 F1462 H1463 Q1464 G1468 I1469 I1520 | V1435-L1466 HydrophobicContact CB-CD2 4.28Å; V1435-L1466 HydrophobicContact CG1-CD2 4.09Å; V1435-L1466 HydrophobicContact CG2-CD2 4Å; W1455-L1466 HydrophobicContact CH2-CD1 3.56Å; W1455-L1466 HydrophobicContact CZ3-CD1 3.62Å; F1462-L1466 HydrophobicContact CD1-CD1 4.1Å; F1462-L1466 HydrophobicContact CE1-CD1 3.55Å; F1462-L1466 HydrophobicContact CE1-CG 4.48Å; F1462-L1466 HydrophobicContact CE2-CD1 4.27Å; F1462-L1466 HydrophobicContact CE2-CG 4.45Å; F1462-L1466 HydrophobicContact CZ-CD1 3.66Å; F1462-L1466 HydrophobicContact CZ-CG 4.31Å; F1462-L1466 WeakPolarHBondContact O-CG 3.3Å; F1462-L1466 PolarHBondContact O-N 2.89Å; H1463-L1466 PolarHBondContact O-N 2.88Å; Q1464-L1466 PolarHBondContact O-N 3.1Å; L1466-G1468 PolarHBondContact O-N 3.38Å; L1466-I1469 WeakPolarHBondContact O-CB 3.33Å; L1466-I1469 PolarHBondContact O-N 2.75Å; L1466-I1520 HydrophobicContact CB-CD1 3.73Å; L1466-I1520 HydrophobicContact CD1-CD1 4.23Å; L1466-I1520 HydrophobicContact CD2-CD1 3.85Å; L1466-I1520 HydrophobicContact CG-CD1 4.15Å |
| 1467 | S | 89.7 | Confident | 88.9 | Confident | 61 Ų | 61 | 49.4 Ų | 49.4 | 43% | 0.427 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.9 | -24.9 | 174.7 | 79.5 | 0 | 0 | 0 | 0 | 113.3 | H1463 Q1464 F1465 | H1463-S1467 WeakPolarHBondContact O-CB 3.21Å; H1463-S1467 PolarHBondContact O-N 3.35Å; H1463-S1467 PolarHBondContact O-OG 2.97Å; Q1464-S1467 PolarHBondContact O-N 3.3Å; Q1464-S1467 PolarHBondContact O-OG 3.47Å; F1465-S1467 PolarHBondContact O-N 2.81Å |
| 1468 | G | 89.8 | Confident | 88.5 | Confident | 32 Ų | 32 | 39.4 Ų | 39.4 | 33% | 0.33 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -80.8 | -18.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q1464 F1465 L1466 S1665 R1669 | Q1464-G1468 PolarHBondContact O-N 2.92Å; F1465-G1468 WeakPolarHBondContact O-CA 3.39Å; F1465-G1468 PolarHBondContact O-N 3.18Å; F1465-G1468 VanDerWaalsContact O-N 3.1Å; L1466-G1468 PolarHBondContact O-N 3.38Å; G1468-S1665 VanDerWaalsContact O-CB 3.31Å; G1468-S1665 WeakPolarHBondContact O-CB 3.34Å; G1468-R1669 PolarHBondContact O-NH1 2.83Å |
| 1469 | I | 92.1 | Very high | 87.9 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -74.8 | -44.1 | 177.1 | -68.4 | -71 | 0 | 0 | 0 | 110.4 | L1433 F1465 L1466 I1520 L1529 C1531 V1668 R1669 | L1433-I1469 HydrophobicContact CD2-CD1 4.28Å; L1433-I1469 HydrophobicContact CD2-CG2 4.32Å; F1465-I1469 HydrophobicContact CE1-CG1 4.5Å; F1465-I1469 HydrophobicContact CE2-CD1 3.87Å; F1465-I1469 HydrophobicContact CE2-CG1 4.05Å; F1465-I1469 HydrophobicContact CZ-CD1 3.99Å; F1465-I1469 HydrophobicContact CZ-CG1 4.02Å; F1465-I1469 PolarHBondContact O-N 3.37Å; L1466-I1469 WeakPolarHBondContact O-CB 3.33Å; L1466-I1469 PolarHBondContact O-N 2.75Å; I1469-I1520 HydrophobicContact CB-CG2 4.34Å; I1469-I1520 HydrophobicContact CG2-CG2 4.1Å; I1469-L1529 HydrophobicContact CG2-CD2 4.45Å; I1469-C1531 HydrophobicContact CG2-CB 4.02Å; I1469-V1668 HydrophobicContact CD1-CB 4.14Å; I1469-V1668 HydrophobicContact CD1-CG1 3.95Å; I1469-R1669 HydrophobicContact CD1-CB 4.45Å; I1469-R1669 PolarHBondContact O-NH1 3.21Å |
| 1470 | G | 88.7 | Confident | 87.3 | Confident | 18 Ų | 18 | 37.4 Ų | 37.4 | 19% | 0.186 | 22% | 0.222 | C | C | . | . | trans | -175.2 | -164.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y1521 | G1470-Y1521 CarbonylContact C-O 3.55Å; G1470-Y1521 WeakPolarHBondContact CA-O 3.43Å | ||
| 1471 | C | 85.8 | Confident | 87.1 | Confident | 43 Ų | 43 | 33.5 Ų | 33.5 | 29% | 0.291 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 143.1 | 179.5 | 60.5 | 0 | 0 | 0 | 0 | 111.5 | K1473 I1520 Y1521 | C1471-K1473 WeakPolarHBondContact SG-CE 3.36Å; C1471-I1520 CarbonylContact O-C 3.3Å; C1471-I1520 WeakPolarHBondContact O-CA 3.47Å; C1471-Y1521 PolarHBondContact N-O 3.06Å; C1471-Y1521 PolarHBondContact O-N 3.36Å; C1471-Y1521 PolarHBondContact SG-O 3.27Å; C1471-Y1521 VanDerWaalsContact SG-O 3.38Å |
| 1472 | I | 87.9 | Confident | 86.9 | Confident | 64 Ų | 64 | 32 Ų | 32 | 33% | 0.328 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 133.8 | 176.8 | -60.9 | 173.2 | 0 | 0 | 0 | 109.5 | A1509 I1519 I1520 | I1472-A1509 HydrophobicContact CD1-CB 3.69Å; I1472-I1519 CarbonylContact C-O 3.56Å; I1472-I1519 WeakPolarHBondContact CA-O 3.28Å; I1472-I1520 HydrophobicContact CG1-CG1 3.85Å |
| 1473 | K | 85.5 | Confident | 86.2 | Confident | 57 Ų | 57 | 33.1 Ų | 33.1 | 25% | 0.248 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 143.1 | 179.7 | -63.2 | -72.6 | 178.4 | 158.1 | 0 | 110.5 | D1113 C1471 H1478 S1518 I1519 | D1113-K1473 VanDerWaalsContact CG-NZ 3.35Å; D1113-K1473 IonicContact OD1-NZ 2.97Å; D1113-K1473 PolarHBondContact OD1-NZ 3.49Å; D1113-K1473 IonicContact OD2-NZ 2.68Å; D1113-K1473 PolarHBondContact OD2-NZ 2.9Å; C1471-K1473 WeakPolarHBondContact SG-CE 3.36Å; K1473-H1478 HydrophobicContact CB-CB 4.32Å; K1473-S1518 VanDerWaalsContact O-CA 3.26Å; K1473-S1518 WeakPolarHBondContact O-CA 3.49Å; K1473-S1518 VanDerWaalsContact O-CB 3.31Å; K1473-S1518 WeakPolarHBondContact O-CB 3.39Å; K1473-I1519 HydrophobicContact CB-CG1 4.25Å; K1473-I1519 PolarHBondContact N-O 3.08Å; K1473-I1519 PolarHBondContact O-N 3.2Å |
| 1474 | N | 86.5 | Confident | 85.6 | Confident | 75 Ų | 75 | 34.9 Ų | 34.9 | 40% | 0.401 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 134 | 171.1 | -177.8 | 1.1 | 0 | 0 | 0 | 110 | S1476 D1477 H1478 Q1517 | N1474-S1476 PolarHBondContact ND2-OG 3.35Å; N1474-S1476 PolarHBondContact OD1-N 3.02Å; N1474-S1476 PolarHBondContact OD1-OG 3.47Å; N1474-D1477 PolarHBondContact ND2-OD2 2.92Å; N1474-D1477 PolarHBondContact O-N 3.47Å; N1474-H1478 WeakPolarHBondContact O-CB 3.32Å; N1474-H1478 PolarHBondContact O-N 3.39Å; N1474-Q1517 PolarHBondContact OD1-O 3.45Å |
| 1475 | I | 85.7 | Confident | 84.8 | Confident | 14 Ų | 14 | 33.8 Ų | 33.8 | 7% | 0.072 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -31.9 | -177.6 | -64.3 | 176.5 | 0 | 0 | 0 | 112 | D1477 T1482 T1487 G1515 Q1517 I1519 | I1475-D1477 PolarHBondContact O-N 3.02Å; I1475-T1482 HydrophobicContact CG2-CG2 4.17Å; I1475-T1487 HydrophobicContact CG2-CG2 4.28Å; I1475-G1515 WeakPolarHBondContact CD1-O 3.47Å; I1475-Q1517 PolarHBondContact N-O 2.97Å; I1475-I1519 HydrophobicContact CD1-CG2 3.74Å; I1475-I1519 HydrophobicContact CG1-CG1 4.48Å; I1475-I1519 HydrophobicContact CG1-CG2 3.87Å |
| 1476 | S | 81.4 | Confident | 83.9 | Confident | 75 Ų | 75 | 37 Ų | 37 | 52% | 0.524 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -24.6 | -179.9 | 61 | 0 | 0 | 0 | 0 | 113.5 | N1474 | N1474-S1476 PolarHBondContact ND2-OG 3.35Å; N1474-S1476 PolarHBondContact OD1-N 3.02Å; N1474-S1476 PolarHBondContact OD1-OG 3.47Å |
| 1477 | D | 76.9 | Confident | 83.3 | Confident | 95 Ų | 95 | 39 Ų | 39 | 51% | 0.508 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.3 | -2.4 | -167.4 | -42.4 | -33.1 | 0 | 0 | 0 | 112.2 | N1474 I1475 | N1474-D1477 PolarHBondContact ND2-OD2 2.92Å; N1474-D1477 PolarHBondContact O-N 3.47Å; I1475-D1477 PolarHBondContact O-N 3.02Å |
| 1478 | H | 80.9 | Confident | 82.9 | Confident | 6 Ų | 6 | 36.2 Ų | 36.2 | 3% | 0.028 | 22% | 0.217 | C | C | . | . | trans | -99.8 | 120.7 | -172.6 | -179.3 | 68.6 | 0 | 0 | 0 | 113 | K1473 N1474 G1480 Y1521 | K1473-H1478 HydrophobicContact CB-CB 4.32Å; N1474-H1478 WeakPolarHBondContact O-CB 3.32Å; N1474-H1478 PolarHBondContact O-N 3.39Å; H1478-G1480 PolarHBondContact CD2-N 3.44Å; H1478-G1480 VanDerWaalsContact CD2-N 3.33Å; H1478-G1480 VanDerWaalsContact NE2-CA 3.26Å; H1478-G1480 WeakPolarHBondContact NE2-CA 3.46Å; H1478-G1480 PolarHBondContact NE2-N 2.74Å; H1478-G1480 PolarHBondContact O-N 3.13Å; H1478-Y1521 AromaticContact CE1-CD1 3.73Å; H1478-Y1521 AromaticContact CE1-CD2 3.63Å; H1478-Y1521 AromaticContact CE1-CE1 3.83Å; H1478-Y1521 AromaticContact CE1-CE2 3.7Å; H1478-Y1521 AromaticContact CE1-CG 3.62Å; H1478-Y1521 AromaticContact CE1-CZ 3.79Å; H1478-Y1521 AromaticContact NE2-CD2 3.17Å; H1478-Y1521 WeakPolarHBondContact NE2-CD2 3.35Å; H1478-Y1521 AromaticContact NE2-CE2 3.23Å; H1478-Y1521 WeakPolarHBondContact NE2-CE2 3.49Å; H1478-Y1521 AromaticContact NE2-CG 3.64Å; H1478-Y1521 AromaticContact NE2-CZ 3.77Å | ||
| 1479 | P | 77.9 | Confident | 82.4 | Confident | 24 Ų | 24 | 35.7 Ų | 35.7 | 16% | 0.156 | 21% | 0.205 | C | C | . | . | trans | -86.9 | 2.5 | -174.3 | 35.4 | -38.3 | 0 | 0 | 0 | 115.2 | T1114 Q1118 Y1489 | T1114-P1479 HydrophobicContact CG2-CB 4.4Å; T1114-P1479 HydrophobicContact CG2-CG 3.68Å; Q1118-P1479 VanDerWaalsContact CD-CB 3.48Å; Q1118-P1479 HydrophobicContact CG-CB 4.36Å; Q1118-P1479 HydrophobicContact CG-CG 4.2Å; P1479-Y1489 WeakPolarHBondContact O-CA 3.39Å; P1479-Y1489 WeakPolarHBondContact O-CD1 3.47Å | ||
| 1480 | G | 80.9 | Confident | 81.5 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -97.3 | -163 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | H1478 T1482 S1488 Y1489 | H1478-G1480 PolarHBondContact CD2-N 3.44Å; H1478-G1480 VanDerWaalsContact CD2-N 3.33Å; H1478-G1480 VanDerWaalsContact NE2-CA 3.26Å; H1478-G1480 WeakPolarHBondContact NE2-CA 3.46Å; H1478-G1480 PolarHBondContact NE2-N 2.74Å; H1478-G1480 PolarHBondContact O-N 3.13Å; G1480-T1482 PolarHBondContact O-N 2.84Å; G1480-S1488 WeakPolarHBondContact O-CA 3.22Å; G1480-S1488 WeakPolarHBondContact O-CB 3.35Å; G1480-Y1489 PolarHBondContact O-N 2.93Å |
| 1481 | W | 85.2 | Confident | 80.1 | Confident | 3 Ų | 3 | 44.1 Ų | 44.1 | 1% | 0.011 | 24% | 0.236 | C | C | . | . | trans | -64.1 | 124.1 | 170.5 | -176.1 | -125.2 | 0 | 0 | 0 | 112.4 | D1431 T1432 G1483 L1485 S1488 Y1489 E1528 A1530 T1585 | D1431-W1481 PolarHBondContact O-NE1 3.45Å; T1432-W1481 WeakPolarHBondContact OG1-CZ2 3.47Å; T1432-W1481 PolarHBondContact OG1-NE1 2.92Å; W1481-G1483 VanDerWaalsContact CE2-CA 3.41Å; W1481-L1485 HydrophobicContact CZ3-CB 4.33Å; W1481-S1488 WeakPolarHBondContact CZ3-OG 3.29Å; W1481-Y1489 WeakPolarHBondContact CB-OH 3.41Å; W1481-Y1489 AromaticContact CE3-CE2 4Å; W1481-Y1489 HydrophobicContact CE3-CE2 4Å; W1481-E1528 HydrophobicContact CB-CB 3.82Å; W1481-E1528 WeakPolarHBondContact CB-OE2 3.31Å; W1481-E1528 PolarHBondContact N-OE2 2.99Å; W1481-A1530 VanDerWaalsContact CD1-CB 3.5Å; W1481-A1530 HydrophobicContact CG-CB 4.3Å; W1481-T1585 HydrophobicContact CD2-CG2 4.36Å; W1481-T1585 HydrophobicContact CE3-CG2 3.83Å; W1481-T1585 HydrophobicContact CH2-CG2 3.34Å; W1481-T1585 VanDerWaalsContact CH2-OG1 3.28Å; W1481-T1585 WeakPolarHBondContact CH2-OG1 3.31Å; W1481-T1585 HydrophobicContact CZ2-CG2 3.88Å; W1481-T1585 WeakPolarHBondContact CZ2-OG1 3.25Å; W1481-T1585 HydrophobicContact CZ3-CG2 3.3Å | ||
| 1482 | T | 85.4 | Confident | 78.6 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | trans | -110 | 7.8 | -179.4 | 61.1 | 0 | 0 | 0 | 0 | 114 | I1475 G1480 N1484 T1487 S1488 I1519 | I1475-T1482 HydrophobicContact CG2-CG2 4.17Å; G1480-T1482 PolarHBondContact O-N 2.84Å; T1482-N1484 PolarHBondContact O-N 3.18Å; T1482-N1484 PolarHBondContact OG1-O 3Å; T1482-T1487 PolarHBondContact OG1-OG1 2.85Å; T1482-S1488 PolarHBondContact N-OG 3.35Å; T1482-S1488 PolarHBondContact OG1-N 3.05Å; T1482-S1488 PolarHBondContact OG1-OG 3.13Å; T1482-I1519 HydrophobicContact CG2-CD1 3.99Å | ||
| 1483 | G | 79.9 | Confident | 76.7 | Confident | 22 Ų | 22 | 47.6 Ų | 47.6 | 23% | 0.227 | 26% | 0.257 | C | S | . | . | S | Bend | trans | 81.7 | -8.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | W1481 | W1481-G1483 VanDerWaalsContact CE2-CA 3.41Š|
| 1484 | N | 79.2 | Confident | 74.8 | Confident | 56 Ų | 56 | 46.9 Ų | 46.9 | 30% | 0.299 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -137.3 | 126.9 | 173.5 | 178.4 | -3.7 | 0 | 0 | 0 | 110.3 | T1482 Q1486 T1487 S1488 | T1482-N1484 PolarHBondContact O-N 3.18Å; T1482-N1484 PolarHBondContact OG1-O 3Å; N1484-Q1486 PolarHBondContact O-N 3.04Å; N1484-Q1486 WeakPolarHBondContact OD1-CB 3.31Å; N1484-Q1486 PolarHBondContact OD1-N 3.08Å; N1484-T1487 PolarHBondContact O-N 3.49Å; N1484-T1487 PolarHBondContact O-OG1 3.46Å; N1484-S1488 WeakPolarHBondContact O-CB 3.47Å; N1484-S1488 PolarHBondContact O-N 2.7Å; N1484-S1488 PolarHBondContact O-OG 3.15Å |
| 1485 | L | 74.4 | Confident | 72.6 | Confident | 59 Ų | 59 | 49 Ų | 49 | 31% | 0.309 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -27.5 | -179.8 | -172.5 | 65.1 | 0 | 0 | 0 | 112.8 | W1481 T1487 | W1481-L1485 HydrophobicContact CZ3-CB 4.33Å; L1485-T1487 VanDerWaalsContact C-N 3.32Å; L1485-T1487 PolarHBondContact O-N 3.14Å |
| 1486 | Q | 75.4 | Confident | 70.6 | Confident | 67 Ų | 67 | 53 Ų | 53 | 31% | 0.313 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -28.3 | 178.4 | -66.5 | -176.9 | -13.9 | 0 | 0 | 113.2 | N1484 R1490 | N1484-Q1486 PolarHBondContact O-N 3.04Å; N1484-Q1486 WeakPolarHBondContact OD1-CB 3.31Å; N1484-Q1486 PolarHBondContact OD1-N 3.08Å; Q1486-R1490 PolarHBondContact O-NE 3.33Å; Q1486-R1490 PolarHBondContact O-NH2 3.11Å |
| 1487 | T | 80 | Confident | 68.5 | Low | 46 Ų | 46 | 55 Ų | 55 | 28% | 0.282 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | -14.6 | -177.6 | 45.8 | 0 | 0 | 0 | 0 | 113.5 | I1475 T1482 N1484 L1485 | I1475-T1487 HydrophobicContact CG2-CG2 4.28Å; T1482-T1487 PolarHBondContact OG1-OG1 2.85Å; N1484-T1487 PolarHBondContact O-N 3.49Å; N1484-T1487 PolarHBondContact O-OG1 3.46Å; L1485-T1487 VanDerWaalsContact C-N 3.32Å; L1485-T1487 PolarHBondContact O-N 3.14Å |
| 1488 | S | 81.7 | Confident | 66.7 | Low | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.014 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | 159 | 179.9 | -55.2 | 0 | 0 | 0 | 0 | 112.6 | G1480 W1481 T1482 N1484 R1490 | G1480-S1488 WeakPolarHBondContact O-CA 3.22Å; G1480-S1488 WeakPolarHBondContact O-CB 3.35Å; W1481-S1488 WeakPolarHBondContact CZ3-OG 3.29Å; T1482-S1488 PolarHBondContact N-OG 3.35Å; T1482-S1488 PolarHBondContact OG1-N 3.05Å; T1482-S1488 PolarHBondContact OG1-OG 3.13Å; N1484-S1488 WeakPolarHBondContact O-CB 3.47Å; N1484-S1488 PolarHBondContact O-N 2.7Å; N1484-S1488 PolarHBondContact O-OG 3.15Å; S1488-R1490 PolarHBondContact O-N 3.41Å |
| 1489 | Y | 78.5 | Confident | 64.5 | Low | 20 Ų | 20 | 60.7 Ų | 60.7 | 8% | 0.078 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | 17.7 | 170.8 | -47.2 | -59.6 | 0 | 0 | 0 | 115.5 | H1424 P1426 P1479 G1480 W1481 E1528 | H1424-Y1489 PolarHBondContact CD2-O 3.46Å; H1424-Y1489 WeakPolarHBondContact O-CB 3.38Å; P1426-Y1489 HydrophobicContact CB-CD2 4.44Å; P1426-Y1489 HydrophobicContact CB-CE1 4.34Å; P1426-Y1489 HydrophobicContact CB-CE2 3.75Å; P1426-Y1489 HydrophobicContact CG-CE2 4.38Å; P1479-Y1489 WeakPolarHBondContact O-CA 3.39Å; P1479-Y1489 WeakPolarHBondContact O-CD1 3.47Å; G1480-Y1489 PolarHBondContact O-N 2.93Å; W1481-Y1489 WeakPolarHBondContact CB-OH 3.41Å; W1481-Y1489 AromaticContact CE3-CE2 4Å; W1481-Y1489 HydrophobicContact CE3-CE2 4Å; Y1489-E1528 VanDerWaalsContact CE1-OE2 3.3Å; Y1489-E1528 WeakPolarHBondContact CE1-OE2 3.09Å; Y1489-E1528 PolarHBondContact OH-OE2 3.11Å |
| 1490 | R | 73.4 | Confident | 62.4 | Low | 146 Ų | 146 | 67.2 Ų | 67.2 | 55% | 0.551 | 38% | 0.38 | S | S | * | . | P | Polyproline II helix | trans | -84.4 | 125.8 | 173.9 | -61.3 | -169.1 | 177 | -133.3 | -1.6 | 110.1 | Q1486 S1488 | Q1486-R1490 PolarHBondContact O-NE 3.33Å; Q1486-R1490 PolarHBondContact O-NH2 3.11Å; S1488-R1490 PolarHBondContact O-N 3.41Å |
| 1491 | T | 60 | Low | 60.4 | Low | 50 Ų | 50 | 72.9 Ų | 72.9 | 31% | 0.307 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -79.5 | 120.2 | 165 | 29.4 | 0 | 0 | 0 | 0 | 108.3 | ||
| 1492 | S | 54.1 | Low | 58 | Low | 55 Ų | 55 | 79.6 Ų | 79.6 | 39% | 0.385 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -73.6 | 132.3 | 175.1 | 54.2 | 0 | 0 | 0 | 0 | 109.9 | G1494 | S1492-G1494 PolarHBondContact O-N 2.92Š|
| 1493 | N | 47.8 | Very low | 55.6 | Low | 126 Ų | 126 | 87.8 Ų | 87.8 | 67% | 0.674 | 49% | 0.493 | S | S | * | . | trans | -74.3 | 16.4 | 177.3 | -80.1 | -16.6 | 0 | 0 | 0 | 113.5 | ||||
| 1494 | G | 45.8 | Very low | 53.8 | Low | 41 Ų | 41 | 90.9 Ų | 90.9 | 42% | 0.423 | 51% | 0.508 | S | S | . | . | trans | -69.7 | 152.4 | -177 | 0 | 0 | 0 | 0 | 0 | 112.6 | S1492 | S1492-G1494 PolarHBondContact O-N 2.92Š| ||
| 1495 | P | 40.5 | Very low | 52.2 | Low | 121 Ų | 121 | 98 Ų | 98 | 79% | 0.786 | 54% | 0.536 | S | S | * | . | trans | -61.3 | 144.4 | 172.7 | 27.9 | -34.1 | 0 | 0 | 0 | 110.2 | V1497 | P1495-V1497 PolarHBondContact O-N 3.47Š| ||
| 1496 | F | 43.8 | Very low | 51 | Low | 96 Ų | 96 | 99.9 Ų | 99.9 | 42% | 0.421 | 55% | 0.546 | S | S | . | . | trans | -59.7 | 98.9 | -175.6 | -82.7 | -87.7 | 0 | 0 | 0 | 112.4 | L1119 N1123 L1127 T1498 | L1119-F1496 HydrophobicContact CD2-CE1 3.69Å; L1119-F1496 HydrophobicContact CD2-CZ 3.51Å; N1123-F1496 HydrophobicContact CB-CE2 3.75Å; N1123-F1496 HydrophobicContact CB-CZ 3.75Å; L1127-F1496 HydrophobicContact CD1-CD2 4.33Å; L1127-F1496 HydrophobicContact CD1-CE2 3.76Å; L1127-F1496 HydrophobicContact CD1-CZ 4.03Å; L1127-F1496 HydrophobicContact CD2-CD2 4.31Å; L1127-F1496 HydrophobicContact CD2-CE2 4.48Å; L1127-F1496 HydrophobicContact CG-CD2 4.43Å; L1127-F1496 HydrophobicContact CG-CE2 4.13Å; F1496-T1498 PolarHBondContact O-N 3.02Å; F1496-T1498 VanDerWaalsContact O-N 3.12Å | ||
| 1497 | V | 38 | Very low | 49.8 | Very low | 117 Ų | 117 | 99.9 Ų | 99.9 | 71% | 0.709 | 55% | 0.548 | S | S | * | . | trans | -79.1 | 95.2 | 166.3 | -176.9 | 0 | 0 | 0 | 0 | 108.1 | P1495 S1499 | P1495-V1497 PolarHBondContact O-N 3.47Å; V1497-S1499 PolarHBondContact O-N 2.84Å | ||
| 1498 | T | 38.2 | Very low | 48.5 | Very low | 130 Ų | 130 | 104.9 Ų | 104.9 | 80% | 0.798 | 57% | 0.567 | S | S | * | * | trans | -72.6 | 56.5 | 167.6 | 55.6 | 0 | 0 | 0 | 0 | 111 | F1496 | F1496-T1498 PolarHBondContact O-N 3.02Å; F1496-T1498 VanDerWaalsContact O-N 3.12Å | ||
| 1499 | S | 33.8 | Very low | 47.3 | Very low | 91 Ų | 91 | 106 Ų | 106 | 64% | 0.636 | 58% | 0.577 | S | S | * | * | trans | -85 | 116.2 | 169.7 | 59.9 | 0 | 0 | 0 | 0 | 109.4 | V1497 | V1497-S1499 PolarHBondContact O-N 2.84Š| ||
| 1500 | H | 35.7 | Very low | 46.7 | Very low | 162 Ų | 162 | 111.4 Ų | 111.4 | 75% | 0.75 | 61% | 0.607 | S | S | * | * | trans | -47.6 | 136.6 | -177.9 | -68.6 | -80.5 | 0 | 0 | 0 | 114 | N1502 | H1500-N1502 PolarHBondContact O-N 2.84Š| ||
| 1501 | C | 38 | Very low | 46.9 | Very low | 120 Ų | 120 | 110 Ų | 110 | 81% | 0.811 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | 22 | 175.7 | 48.6 | 0 | 0 | 0 | 0 | 116 | ||
| 1502 | N | 34.8 | Very low | 48.2 | Very low | 144 Ų | 144 | 108.5 Ų | 108.5 | 77% | 0.77 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.5 | -0.9 | -174.4 | -79.7 | -14 | 0 | 0 | 0 | 114.8 | H1500 | H1500-N1502 PolarHBondContact O-N 2.84Š|
| 1503 | Q | 35.4 | Very low | 49.9 | Very low | 173 Ų | 173 | 105.9 Ų | 105.9 | 81% | 0.808 | 58% | 0.579 | S | S | * | * | trans | -139.8 | 128.5 | 176 | -65.6 | 179.3 | -7.3 | 0 | 0 | 106.8 | ||||
| 1504 | T | 41.8 | Very low | 51.8 | Low | 87 Ų | 87 | 100.5 Ų | 100.5 | 53% | 0.534 | 55% | 0.55 | S | S | . | * | cis | -147.1 | 139.2 | 25.1 | 50.9 | 0 | 0 | 0 | 0 | 113 | N1506 | T1504-N1506 VanDerWaalsContact CB-OD1 3.3Å; T1504-N1506 WeakPolarHBondContact CB-OD1 3.43Å; T1504-N1506 WeakPolarHBondContact CG2-OD1 3.36Å; T1504-N1506 PolarHBondContact O-N 3.44Å; T1504-N1506 VanDerWaalsContact O-N 3.07Å; T1504-N1506 WeakPolarHBondContact OG1-CB 3.31Å | ||
| 1505 | K | 45.3 | Very low | 53.6 | Low | 205 Ų | 205 | 99.3 Ų | 99.3 | 89% | 0.891 | 54% | 0.539 | S | S | * | . | trans | -76.7 | 66.1 | 147.1 | -75.8 | -174.3 | 176.2 | -178.4 | 0 | 108.6 | I1507 | K1505-I1507 PolarHBondContact O-N 3.45Š| ||
| 1506 | N | 48.6 | Very low | 55.7 | Low | 99 Ų | 99 | 97.4 Ų | 97.4 | 53% | 0.529 | 52% | 0.521 | S | S | . | . | trans | -76.4 | 93.5 | 178.1 | -93.8 | 4.8 | 0 | 0 | 0 | 109 | T1504 H1508 | T1504-N1506 VanDerWaalsContact CB-OD1 3.3Å; T1504-N1506 WeakPolarHBondContact CB-OD1 3.43Å; T1504-N1506 WeakPolarHBondContact CG2-OD1 3.36Å; T1504-N1506 PolarHBondContact O-N 3.44Å; T1504-N1506 VanDerWaalsContact O-N 3.07Å; T1504-N1506 WeakPolarHBondContact OG1-CB 3.31Å; N1506-H1508 PolarHBondContact O-N 2.96Å | ||
| 1507 | I | 50.4 | Low | 57.7 | Low | 67 Ų | 67 | 98.1 Ų | 98.1 | 34% | 0.344 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -63.5 | -19.8 | 173 | -64.9 | 168.7 | 0 | 0 | 0 | 110.7 | K1505 | K1505-I1507 PolarHBondContact O-N 3.45Š|
| 1508 | H | 52.5 | Low | 60.2 | Low | 151 Ų | 151 | 93.1 Ų | 93.1 | 70% | 0.699 | 50% | 0.496 | S | S | * | . | trans | -110.7 | 76.1 | 172.6 | -55.2 | -57 | 0 | 0 | 0 | 111.4 | N1506 | N1506-H1508 PolarHBondContact O-N 2.96Š| ||
| 1509 | A | 57.7 | Low | 62.6 | Low | 25 Ų | 25 | 87 Ų | 87 | 21% | 0.207 | 46% | 0.458 | C | S | . | . | trans | -80 | 128.9 | 156.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | W1455 I1472 H1511 | W1455-A1509 PolarHBondContact NE1-O 2.99Å; I1472-A1509 HydrophobicContact CD1-CB 3.69Å; A1509-H1511 PolarHBondContact O-N 2.77Å | ||
| 1510 | D | 66.1 | Low | 65.4 | Low | 133 Ų | 133 | 82.8 Ų | 82.8 | 71% | 0.711 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -62.8 | -23.6 | -178.7 | -70.2 | -35.7 | 0 | 0 | 0 | 113.5 | ||
| 1511 | H | 76.1 | Confident | 68 | Low | 117 Ų | 117 | 75.1 Ų | 75.1 | 54% | 0.542 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -118.8 | 143.6 | -173.3 | -59.3 | 83.1 | 0 | 0 | 0 | 110.8 | A1509 | A1509-H1511 PolarHBondContact O-N 2.77Š|
| 1512 | C | 87.7 | Confident | 70.4 | Confident | 18 Ų | 18 | 72.2 Ų | 72.2 | 12% | 0.122 | 37% | 0.365 | C | S | . | . | trans | -72.3 | 149.7 | 177.7 | 59 | 0 | 0 | 0 | 0 | 112.2 | W1455 D1514 S1518 | W1455-C1512 HydrophobicContact CB-CB 3.98Å; W1455-C1512 HydrophobicContact CD2-CB 3.83Å; W1455-C1512 HydrophobicContact CE3-CB 3.77Å; W1455-C1512 HydrophobicContact CG-CB 3.93Å; C1512-D1514 PolarHBondContact O-N 3.03Å; C1512-S1518 PolarHBondContact O-OG 3.02Å | ||
| 1513 | P | 89.7 | Confident | 72.7 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 33% | 0.333 | C | S | . | . | trans | -74.6 | 71.3 | 174.1 | 31.9 | -34.8 | 0 | 0 | 0 | 111.4 | W1455 G1515 S1518 I1520 C1533 | W1455-P1513 HydrophobicContact CH2-CG 4.14Å; W1455-P1513 HydrophobicContact CZ3-CG 4.37Å; P1513-G1515 VanDerWaalsContact C-N 3.32Å; P1513-G1515 PolarHBondContact O-N 3Å; P1513-S1518 CarbonylContact C-O 3.59Å; P1513-S1518 VanDerWaalsContact CA-O 3.26Å; P1513-S1518 WeakPolarHBondContact CA-O 3.47Å; P1513-S1518 WeakPolarHBondContact CA-OG 3.28Å; P1513-I1520 HydrophobicContact CB-CD1 4.35Å; P1513-I1520 HydrophobicContact CB-CG1 4.07Å; P1513-I1520 HydrophobicContact CG-CD1 3.76Å; P1513-I1520 HydrophobicContact CG-CG1 4.01Å; P1513-C1533 HydrophobicContact CG-CB 4.19Å; P1513-C1533 PolarHBondContact O-N 2.89Å | ||
| 1514 | D | 87.6 | Confident | 74.8 | Confident | 13 Ų | 13 | 59.2 Ų | 59.2 | 7% | 0.07 | 30% | 0.303 | C | S | . | . | trans | -78.3 | -6.3 | -170.8 | 68.7 | -10.9 | 0 | 0 | 0 | 115.8 | C1512 I1516 Q1517 S1518 T1535 F1538 | C1512-D1514 PolarHBondContact O-N 3.03Å; D1514-I1516 VanDerWaalsContact C-N 3.25Å; D1514-I1516 PolarHBondContact O-N 2.86Å; D1514-I1516 WeakPolarHBondContact OD1-CA 3.5Å; D1514-I1516 PolarHBondContact OD1-N 2.89Å; D1514-Q1517 PolarHBondContact OD1-N 2.95Å; D1514-S1518 PolarHBondContact N-O 2.87Å; D1514-T1535 HydrophobicContact CB-CG2 3.65Å; D1514-F1538 VanDerWaalsContact O-CD2 3.3Å; D1514-F1538 WeakPolarHBondContact O-CD2 3.4Å | ||
| 1515 | G | 84.2 | Confident | 76.3 | Confident | 17 Ų | 17 | 55.9 Ų | 55.9 | 18% | 0.175 | 29% | 0.285 | C | S | . | . | S | Bend | trans | 75.3 | 11 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | I1475 P1513 S1518 | I1475-G1515 WeakPolarHBondContact CD1-O 3.47Å; P1513-G1515 VanDerWaalsContact C-N 3.32Å; P1513-G1515 PolarHBondContact O-N 3Å; G1515-S1518 PolarHBondContact N-O 3.41Å |
| 1516 | I | 85.1 | Confident | 78 | Confident | 80 Ų | 80 | 47.2 Ų | 47.2 | 41% | 0.41 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -115.1 | -47.7 | 175 | -51.9 | 176.6 | 0 | 0 | 0 | 110.3 | D1514 Q1537 | D1514-I1516 VanDerWaalsContact C-N 3.25Å; D1514-I1516 PolarHBondContact O-N 2.86Å; D1514-I1516 WeakPolarHBondContact OD1-CA 3.5Å; D1514-I1516 PolarHBondContact OD1-N 2.89Å; I1516-Q1537 HydrophobicContact CD1-CB 3.79Å |
| 1517 | Q | 85.8 | Confident | 79.7 | Confident | 111 Ų | 111 | 42.6 Ų | 42.6 | 52% | 0.519 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -105 | -42.1 | 175.6 | -66.2 | -174.9 | -11.7 | 0 | 0 | 112.1 | N1474 I1475 D1514 | N1474-Q1517 PolarHBondContact OD1-O 3.45Å; I1475-Q1517 PolarHBondContact N-O 2.97Å; D1514-Q1517 PolarHBondContact OD1-N 2.95Å |
| 1518 | S | 89.8 | Confident | 81.3 | Confident | 13 Ų | 13 | 39.6 Ų | 39.6 | 9% | 0.091 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 160.2 | -176.8 | 66.1 | 0 | 0 | 0 | 0 | 113.2 | K1473 C1512 P1513 D1514 G1515 | K1473-S1518 VanDerWaalsContact O-CA 3.26Å; K1473-S1518 WeakPolarHBondContact O-CA 3.49Å; K1473-S1518 VanDerWaalsContact O-CB 3.31Å; K1473-S1518 WeakPolarHBondContact O-CB 3.39Å; C1512-S1518 PolarHBondContact O-OG 3.02Å; P1513-S1518 CarbonylContact C-O 3.59Å; P1513-S1518 VanDerWaalsContact CA-O 3.26Å; P1513-S1518 WeakPolarHBondContact CA-O 3.47Å; P1513-S1518 WeakPolarHBondContact CA-OG 3.28Å; D1514-S1518 PolarHBondContact N-O 2.87Å; G1515-S1518 PolarHBondContact N-O 3.41Å |
| 1519 | I | 89.3 | Confident | 83 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 160.4 | 178.2 | 58.5 | -179.2 | 0 | 0 | 0 | 109.8 | I1472 K1473 I1475 T1482 I1532 | I1472-I1519 CarbonylContact C-O 3.56Å; I1472-I1519 WeakPolarHBondContact CA-O 3.28Å; K1473-I1519 HydrophobicContact CB-CG1 4.25Å; K1473-I1519 PolarHBondContact N-O 3.08Å; K1473-I1519 PolarHBondContact O-N 3.2Å; I1475-I1519 HydrophobicContact CD1-CG2 3.74Å; I1475-I1519 HydrophobicContact CG1-CG1 4.48Å; I1475-I1519 HydrophobicContact CG1-CG2 3.87Å; T1482-I1519 HydrophobicContact CG2-CD1 3.99Å; I1519-I1532 HydrophobicContact CG2-CG1 4.16Å |
| 1520 | I | 91.6 | Very high | 84.5 | Confident | 3 Ų | 3 | 31.2 Ų | 31.2 | 2% | 0.015 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 124.3 | 159.6 | -69 | 159.9 | 0 | 0 | 0 | 107.7 | L1466 I1469 C1471 I1472 P1513 C1531 | L1466-I1520 HydrophobicContact CB-CD1 3.73Å; L1466-I1520 HydrophobicContact CD1-CD1 4.23Å; L1466-I1520 HydrophobicContact CD2-CD1 3.85Å; L1466-I1520 HydrophobicContact CG-CD1 4.15Å; I1469-I1520 HydrophobicContact CB-CG2 4.34Å; I1469-I1520 HydrophobicContact CG2-CG2 4.1Å; C1471-I1520 CarbonylContact O-C 3.3Å; C1471-I1520 WeakPolarHBondContact O-CA 3.47Å; I1472-I1520 HydrophobicContact CG1-CG1 3.85Å; P1513-I1520 HydrophobicContact CB-CD1 4.35Å; P1513-I1520 HydrophobicContact CB-CG1 4.07Å; P1513-I1520 HydrophobicContact CG-CD1 3.76Å; P1513-I1520 HydrophobicContact CG-CG1 4.01Å; I1520-C1531 HydrophobicContact CB-CB 3.84Å; I1520-C1531 HydrophobicContact CG2-CB 4.07Å; I1520-C1531 PolarHBondContact N-O 3.36Å; I1520-C1531 PolarHBondContact O-N 3.16Å |
| 1521 | Y | 90 | Very high | 85.8 | Confident | 2 Ų | 2 | 24.9 Ų | 24.9 | 1% | 0.008 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 140.3 | -175.5 | 179.4 | -91.9 | 0 | 0 | 0 | 112.3 | T1112 D1113 R1428 G1470 C1471 H1478 A1523 E1528 | T1112-Y1521 WeakPolarHBondContact O-CE1 3.32Å; D1113-Y1521 PolarHBondContact O-OH 3.34Å; R1428-Y1521 PolarHBondContact NH2-OH 3.45Å; G1470-Y1521 CarbonylContact C-O 3.55Å; G1470-Y1521 WeakPolarHBondContact CA-O 3.43Å; C1471-Y1521 PolarHBondContact N-O 3.06Å; C1471-Y1521 PolarHBondContact O-N 3.36Å; C1471-Y1521 PolarHBondContact SG-O 3.27Å; C1471-Y1521 VanDerWaalsContact SG-O 3.38Å; H1478-Y1521 AromaticContact CE1-CD1 3.73Å; H1478-Y1521 AromaticContact CE1-CD2 3.63Å; H1478-Y1521 AromaticContact CE1-CE1 3.83Å; H1478-Y1521 AromaticContact CE1-CE2 3.7Å; H1478-Y1521 AromaticContact CE1-CG 3.62Å; H1478-Y1521 AromaticContact CE1-CZ 3.79Å; H1478-Y1521 AromaticContact NE2-CD2 3.17Å; H1478-Y1521 WeakPolarHBondContact NE2-CD2 3.35Å; H1478-Y1521 AromaticContact NE2-CE2 3.23Å; H1478-Y1521 WeakPolarHBondContact NE2-CE2 3.49Å; H1478-Y1521 AromaticContact NE2-CG 3.64Å; H1478-Y1521 AromaticContact NE2-CZ 3.77Å; Y1521-A1523 HydrophobicContact CE1-CB 4.06Å; Y1521-A1523 WeakPolarHBondContact OH-CB 3.32Å; Y1521-E1528 HydrophobicContact CE2-CB 4.23Å; Y1521-E1528 PolarHBondContact OH-OE1 3.25Å |
| 1522 | Y | 88.3 | Confident | 86.6 | Confident | 58 Ų | 58 | 19.5 Ų | 19.5 | 23% | 0.227 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 151.6 | 169.7 | 170.4 | -83.5 | 0 | 0 | 0 | 109.3 | D1524 L1529 R1669 I1673 | Y1522-D1524 HydrophobicContact CE1-CB 4.2Å; Y1522-L1529 HydrophobicContact CD1-CB 4.39Å; Y1522-L1529 PolarHBondContact N-O 3.02Å; Y1522-L1529 PolarHBondContact O-N 3.33Å; Y1522-R1669 HydrophobicContact CD1-CG 4.34Å; Y1522-R1669 HydrophobicContact CE1-CG 4.4Å; Y1522-I1673 HydrophobicContact CD1-CD1 4.44Å; Y1522-I1673 HydrophobicContact CE1-CD1 4.12Å |
| 1523 | A | 84.5 | Confident | 86.8 | Confident | 12 Ų | 12 | 18.7 Ų | 18.7 | 10% | 0.099 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 155.2 | 164 | 0 | 0 | 0 | 0 | 0 | 112.8 | T1112 R1428 Y1521 T1527 E1528 | T1112-A1523 WeakPolarHBondContact O-CB 3.33Å; R1428-A1523 VanDerWaalsContact NH1-CB 3.3Å; Y1521-A1523 HydrophobicContact CE1-CB 4.06Å; Y1521-A1523 WeakPolarHBondContact OH-CB 3.32Å; A1523-T1527 CarbonylContact C-O 3.6Å; A1523-T1527 VanDerWaalsContact CA-O 3.28Å; A1523-T1527 WeakPolarHBondContact CA-O 3.41Å; A1523-T1527 WeakPolarHBondContact CB-O 3.31Å; A1523-E1528 HydrophobicContact CB-CB 4.34Å; A1523-E1528 HydrophobicContact CB-CG 3.88Å |
| 1524 | D | 78.2 | Confident | 86.9 | Confident | 32 Ų | 32 | 18.7 Ų | 18.7 | 17% | 0.171 | 10% | 0.1 | C | C | . | . | trans | -113.2 | -167 | 165.6 | 72.4 | 24.9 | 0 | 0 | 0 | 110.8 | R1428 Y1522 I1526 T1527 R1677 | R1428-D1524 VanDerWaalsContact CD-O 3.22Å; R1428-D1524 WeakPolarHBondContact CD-O 3.23Å; R1428-D1524 PolarHBondContact NH1-O 3.01Å; Y1522-D1524 HydrophobicContact CE1-CB 4.2Å; D1524-I1526 PolarHBondContact O-N 3.39Å; D1524-I1526 WeakPolarHBondContact OD1-CA 3.48Å; D1524-I1526 PolarHBondContact OD1-N 2.81Å; D1524-T1527 PolarHBondContact N-O 3.48Å; D1524-T1527 PolarHBondContact OD1-N 3.03Å; D1524-R1677 IonicContact OD1-NH2 3.35Å; D1524-R1677 PolarHBondContact OD1-NH2 2.88Å; D1524-R1677 IonicContact OD2-CZ 3.2Å; D1524-R1677 IonicContact OD2-NH2 3.2Å; D1524-R1677 PolarHBondContact OD2-NH2 3.06Å | ||
| 1525 | A | 74.5 | Confident | 86.9 | Confident | 18 Ų | 18 | 18.5 Ų | 18.5 | 15% | 0.149 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -63 | -17.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | V1032 | V1032-A1525 HydrophobicContact CB-CB 4.06Å; V1032-A1525 HydrophobicContact CG1-CB 4.21Å; V1032-A1525 HydrophobicContact CG2-CB 3.71Å |
| 1526 | I | 79.5 | Confident | 86.8 | Confident | 23 Ų | 23 | 19.4 Ų | 19.4 | 12% | 0.118 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -127.8 | -32.3 | -165.9 | -49.1 | 176.5 | 0 | 0 | 0 | 111.1 | Y1025 R1428 T1429 D1524 | Y1025-I1526 HydrophobicContact CD1-CD1 3.9Å; Y1025-I1526 HydrophobicContact CD1-CG2 4.36Å; Y1025-I1526 HydrophobicContact CE1-CG2 4.47Å; Y1025-I1526 HydrophobicContact CG-CD1 3.91Å; R1428-I1526 WeakPolarHBondContact CB-O 3.46Å; T1429-I1526 PolarHBondContact N-O 2.68Å; T1429-I1526 PolarHBondContact OG1-O 3.03Å; D1524-I1526 PolarHBondContact O-N 3.39Å; D1524-I1526 WeakPolarHBondContact OD1-CA 3.48Å; D1524-I1526 PolarHBondContact OD1-N 2.81Å |
| 1527 | T | 84.3 | Confident | 86.3 | Confident | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.006 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 139.8 | -162.3 | -57.7 | 0 | 0 | 0 | 0 | 111.5 | T1429 D1431 A1523 D1524 I1673 R1677 | T1429-T1527 CarbonylContact O-C 3.51Å; T1429-T1527 VanDerWaalsContact O-CA 3.29Å; T1429-T1527 WeakPolarHBondContact O-CA 3.44Å; T1429-T1527 WeakPolarHBondContact O-CG2 3.28Å; T1429-T1527 PolarHBondContact OG1-OG1 2.85Å; T1429-T1527 VanDerWaalsContact OG1-OG1 3.1Å; D1431-T1527 HydrophobicContact CB-CG2 4.38Å; D1431-T1527 WeakPolarHBondContact OD2-CG2 3.49Å; A1523-T1527 CarbonylContact C-O 3.6Å; A1523-T1527 VanDerWaalsContact CA-O 3.28Å; A1523-T1527 WeakPolarHBondContact CA-O 3.41Å; A1523-T1527 WeakPolarHBondContact CB-O 3.31Å; D1524-T1527 PolarHBondContact N-O 3.48Å; D1524-T1527 PolarHBondContact OD1-N 3.03Å; T1527-I1673 HydrophobicContact CG2-CG1 4.08Å; T1527-I1673 HydrophobicContact CG2-CG2 4.15Å; T1527-R1677 PolarHBondContact OG1-NH2 3.42Å; T1527-R1677 VanDerWaalsContact OG1-NH2 3.12Å |
| 1528 | E | 85.8 | Confident | 85.5 | Confident | 4 Ų | 4 | 19 Ų | 19 | 2% | 0.019 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 136.8 | 173.8 | -60.9 | 179.6 | 160.3 | 0 | 0 | 108.8 | R1428 T1429 G1430 D1431 W1481 Y1489 Y1521 A1523 | R1428-E1528 HydrophobicContact CB-CG 3.78Å; R1428-E1528 IonicContact CZ-OE1 3.88Å; R1428-E1528 VanDerWaalsContact CZ-OE1 3.25Å; R1428-E1528 VanDerWaalsContact NE-CG 3.35Å; R1428-E1528 IonicContact NE-OE1 3.23Å; R1428-E1528 PolarHBondContact NE-OE1 3.08Å; R1428-E1528 IonicContact NH2-OE1 2.93Å; R1428-E1528 PolarHBondContact NH2-OE1 3.44Å; T1429-E1528 PolarHBondContact O-N 3.02Å; G1430-E1528 CarbonylContact C-O 3.5Å; G1430-E1528 WeakPolarHBondContact CA-O 3.48Å; D1431-E1528 PolarHBondContact N-O 2.69Å; W1481-E1528 HydrophobicContact CB-CB 3.82Å; W1481-E1528 WeakPolarHBondContact CB-OE2 3.31Å; W1481-E1528 PolarHBondContact N-OE2 2.99Å; Y1489-E1528 VanDerWaalsContact CE1-OE2 3.3Å; Y1489-E1528 WeakPolarHBondContact CE1-OE2 3.09Å; Y1489-E1528 PolarHBondContact OH-OE2 3.11Å; Y1521-E1528 HydrophobicContact CE2-CB 4.23Å; Y1521-E1528 PolarHBondContact OH-OE1 3.25Å; A1523-E1528 HydrophobicContact CB-CB 4.34Å; A1523-E1528 HydrophobicContact CB-CG 3.88Å |
| 1529 | L | 87.7 | Confident | 84.3 | Confident | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 116.4 | -177.8 | 179.9 | 64.3 | 0 | 0 | 0 | 109.8 | D1431 L1433 I1469 Y1522 R1669 V1672 | D1431-L1529 HydrophobicContact CB-CD1 3.99Å; D1431-L1529 WeakPolarHBondContact O-CA 3.48Å; L1433-L1529 HydrophobicContact CB-CD1 4.12Å; I1469-L1529 HydrophobicContact CG2-CD2 4.45Å; Y1522-L1529 HydrophobicContact CD1-CB 4.39Å; Y1522-L1529 PolarHBondContact N-O 3.02Å; Y1522-L1529 PolarHBondContact O-N 3.33Å; L1529-R1669 HydrophobicContact CD2-CB 4.43Å; L1529-R1669 HydrophobicContact CD2-CG 3.86Å; L1529-V1672 HydrophobicContact CD1-CG1 3.89Å |
| 1530 | A | 89.5 | Confident | 82.6 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 125.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | D1431 T1432 L1433 W1481 | D1431-A1530 PolarHBondContact O-N 3.17Å; T1432-A1530 CarbonylContact C-O 3.58Å; T1432-A1530 WeakPolarHBondContact CA-O 3.44Å; L1433-A1530 PolarHBondContact N-O 3.09Å; W1481-A1530 VanDerWaalsContact CD1-CB 3.5Å; W1481-A1530 HydrophobicContact CG-CB 4.3Å |
| 1531 | C | 92.4 | Very high | 80 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 124.2 | 175.7 | 170 | 0 | 0 | 0 | 0 | 109.4 | L1433 V1435 I1469 I1520 | L1433-C1531 HydrophobicContact CB-CB 4.18Å; L1433-C1531 HydrophobicContact CD2-CB 4.35Å; L1433-C1531 WeakPolarHBondContact O-CA 3.4Å; V1435-C1531 WeakPolarHBondContact CG2-SG 3.29Å; I1469-C1531 HydrophobicContact CG2-CB 4.02Å; I1520-C1531 HydrophobicContact CB-CB 3.84Å; I1520-C1531 HydrophobicContact CG2-CB 4.07Å; I1520-C1531 PolarHBondContact N-O 3.36Å; I1520-C1531 PolarHBondContact O-N 3.16Å |
| 1532 | I | 92.7 | Very high | 77.7 | Confident | 4 Ų | 4 | 39.3 Ų | 39.3 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 140.3 | -173.3 | -66.1 | 170.7 | 0 | 0 | 0 | 108.7 | T1432 L1433 L1434 V1435 I1519 P1534 F1538 | T1432-I1532 HydrophobicContact CG2-CD1 4.3Å; L1433-I1532 PolarHBondContact O-N 2.94Å; L1434-I1532 CarbonylContact C-O 3.34Å; L1434-I1532 WeakPolarHBondContact CA-O 3.39Å; L1434-I1532 HydrophobicContact CD2-CB 4Å; L1434-I1532 HydrophobicContact CD2-CG2 4.3Å; V1435-I1532 PolarHBondContact N-O 3.19Å; I1519-I1532 HydrophobicContact CG2-CG1 4.16Å; I1532-P1534 HydrophobicContact CG2-CG 4.31Å; I1532-P1534 WeakPolarHBondContact O-CD 3.19Å; I1532-F1538 HydrophobicContact CD1-CE2 4.35Å; I1532-F1538 HydrophobicContact CG2-CD2 4.31Å; I1532-F1538 HydrophobicContact CG2-CE2 3.97Å; I1532-F1538 HydrophobicContact CG2-CZ 4.37Å |
| 1533 | C | 93.2 | Very high | 75.2 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -109.1 | 91.6 | 172.5 | -71.3 | 0 | 0 | 0 | 0 | 109.6 | V1435 M1452 P1513 | V1435-C1533 WeakPolarHBondContact O-CA 3.46Å; M1452-C1533 HydrophobicContact CE-CB 4.06Å; M1452-C1533 HydrophobicContact CG-CB 4.26Å; M1452-C1533 HydrophobicContact SD-CB 3.83Å; P1513-C1533 HydrophobicContact CG-CB 4.19Å; P1513-C1533 PolarHBondContact O-N 2.89Å | ||
| 1534 | P | 90.7 | Very high | 72.7 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | trans | -60.8 | 140.7 | -169.4 | -26.8 | 37.7 | 0 | 0 | 0 | 113.8 | L1434 V1435 F1436 L1449 I1532 F1538 F1620 | L1434-P1534 HydrophobicContact CB-CG 4.33Å; L1434-P1534 HydrophobicContact CD2-CG 4.22Å; V1435-P1534 WeakPolarHBondContact O-CD 3.2Å; F1436-P1534 HydrophobicContact CD1-CG 4.49Å; F1436-P1534 HydrophobicContact CE1-CB 4.02Å; F1436-P1534 HydrophobicContact CE1-CG 3.75Å; F1436-P1534 HydrophobicContact CZ-CG 3.93Å; L1449-P1534 HydrophobicContact CD2-CB 3.8Å; L1449-P1534 WeakPolarHBondContact CD2-O 3.34Å; I1532-P1534 HydrophobicContact CG2-CG 4.31Å; I1532-P1534 WeakPolarHBondContact O-CD 3.19Å; P1534-F1538 HydrophobicContact CB-CB 4.49Å; P1534-F1538 HydrophobicContact CB-CD1 3.84Å; P1534-F1538 HydrophobicContact CB-CE1 4.34Å; P1534-F1538 HydrophobicContact CB-CG 4.27Å; P1534-F1538 HydrophobicContact CG-CD1 4.37Å; P1534-F1538 HydrophobicContact CG-CE1 4.4Å; P1534-F1620 HydrophobicContact CB-CE1 4.11Å; P1534-F1620 HydrophobicContact CB-CZ 4.32Å; P1534-F1620 HydrophobicContact CG-CE1 4.37Å | ||
| 1535 | T | 87.7 | Confident | 70.8 | Confident | 8 Ų | 8 | 54.5 Ų | 54.5 | 5% | 0.049 | 29% | 0.285 | C | S | . | . | trans | -114.7 | 171.4 | 175 | 72 | 0 | 0 | 0 | 0 | 111 | M1452 D1514 Q1537 F1538 Y1539 | M1452-T1535 HydrophobicContact CB-CG2 3.92Å; D1514-T1535 HydrophobicContact CB-CG2 3.65Å; T1535-Q1537 PolarHBondContact O-N 3.34Å; T1535-Q1537 PolarHBondContact OG1-N 2.7Å; T1535-F1538 WeakPolarHBondContact O-CB 3.47Å; T1535-F1538 PolarHBondContact O-N 2.72Å; T1535-F1538 PolarHBondContact OG1-N 3.5Å; T1535-Y1539 PolarHBondContact O-N 3.35Å | ||
| 1536 | N | 81.4 | Confident | 68.6 | Low | 36 Ų | 36 | 60 Ų | 60 | 19% | 0.193 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.5 | -24.8 | 171.4 | -75.6 | -37.3 | 0 | 0 | 0 | 113.4 | G1446 L1449 G1540 | G1446-N1536 PolarHBondContact O-ND2 3.38Å; L1449-N1536 WeakPolarHBondContact CB-OD1 3.26Å; L1449-N1536 WeakPolarHBondContact CD1-OD1 3.45Å; N1536-G1540 PolarHBondContact O-N 3.27Å |
| 1537 | Q | 74.4 | Confident | 66.3 | Low | 151 Ų | 151 | 66.9 Ų | 66.9 | 71% | 0.706 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -75 | -33.3 | 173.4 | -67.9 | -176.1 | -1.2 | 0 | 0 | 112.4 | I1516 T1535 | I1516-Q1537 HydrophobicContact CD1-CB 3.79Å; T1535-Q1537 PolarHBondContact O-N 3.34Å; T1535-Q1537 PolarHBondContact OG1-N 2.7Å |
| 1538 | F | 69.7 | Low | 63.5 | Low | 31 Ų | 31 | 75.2 Ų | 75.2 | 14% | 0.136 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -67.8 | -39.7 | 173.5 | -176.3 | -85.6 | 0 | 0 | 0 | 111.4 | D1514 I1532 P1534 T1535 Y1556 F1620 | D1514-F1538 VanDerWaalsContact O-CD2 3.3Å; D1514-F1538 WeakPolarHBondContact O-CD2 3.4Å; I1532-F1538 HydrophobicContact CD1-CE2 4.35Å; I1532-F1538 HydrophobicContact CG2-CD2 4.31Å; I1532-F1538 HydrophobicContact CG2-CE2 3.97Å; I1532-F1538 HydrophobicContact CG2-CZ 4.37Å; P1534-F1538 HydrophobicContact CB-CB 4.49Å; P1534-F1538 HydrophobicContact CB-CD1 3.84Å; P1534-F1538 HydrophobicContact CB-CE1 4.34Å; P1534-F1538 HydrophobicContact CB-CG 4.27Å; P1534-F1538 HydrophobicContact CG-CD1 4.37Å; P1534-F1538 HydrophobicContact CG-CE1 4.4Å; T1535-F1538 WeakPolarHBondContact O-CB 3.47Å; T1535-F1538 PolarHBondContact O-N 2.72Å; T1535-F1538 PolarHBondContact OG1-N 3.5Å; F1538-Y1556 WeakPolarHBondContact CE1-OH 3.31Å; F1538-Y1556 WeakPolarHBondContact CZ-OH 3.43Å; F1538-Y1556 PolarHBondContact O-OH 3.44Å; F1538-Y1556 VanDerWaalsContact O-OH 3.12Å; F1538-F1620 HydrophobicContact CD1-CE1 4.15Å; F1538-F1620 HydrophobicContact CE1-CD1 4.45Å; F1538-F1620 HydrophobicContact CE1-CE1 4.12Å |
| 1539 | Y | 64.3 | Low | 60.7 | Low | 89 Ų | 89 | 78.8 Ų | 78.8 | 35% | 0.349 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -72.5 | -41.7 | -176.8 | -171.1 | -121.9 | 0 | 0 | 0 | 113.5 | V1445 L1449 T1535 N1619 F1620 | V1445-Y1539 HydrophobicContact CG1-CE1 4.24Å; L1449-Y1539 HydrophobicContact CD1-CD1 4.1Å; L1449-Y1539 HydrophobicContact CD1-CG 3.87Å; T1535-Y1539 PolarHBondContact O-N 3.35Å; Y1539-N1619 HydrophobicContact CE2-CB 3.97Å; Y1539-N1619 PolarHBondContact OH-ND2 3.19Å; Y1539-F1620 AromaticContact CD2-CE1 3.98Å; Y1539-F1620 HydrophobicContact CD2-CE1 3.98Å; Y1539-F1620 HydrophobicContact CD2-CE2 4.3Å; Y1539-F1620 AromaticContact CD2-CZ 3.62Å; Y1539-F1620 HydrophobicContact CD2-CZ 3.62Å; Y1539-F1620 HydrophobicContact CE2-CE2 4.48Å; Y1539-F1620 HydrophobicContact CE2-CZ 4.22Å; Y1539-F1620 HydrophobicContact CG-CZ 4.32Å |
| 1540 | G | 53.7 | Low | 57.9 | Low | 39 Ų | 39 | 87.3 Ų | 87.3 | 40% | 0.402 | 46% | 0.457 | S | S | . | . | trans | 77.4 | 115.8 | 180 | 0 | 0 | 0 | 0 | 0 | 113.3 | N1536 E1542 | N1536-G1540 PolarHBondContact O-N 3.27Å; G1540-E1542 PolarHBondContact O-N 2.92Å | ||
| 1541 | N | 37.8 | Very low | 55 | Low | 123 Ų | 123 | 93.4 Ų | 93.4 | 66% | 0.658 | 49% | 0.488 | S | S | * | . | trans | -71.8 | 121.4 | 177.1 | -69.6 | 11 | 0 | 0 | 0 | 111 | E1543 | N1541-E1543 VanDerWaalsContact C-N 3.25Å; N1541-E1543 PolarHBondContact O-N 3.26Å | ||
| 1542 | E | 41.1 | Very low | 51.8 | Low | 194 Ų | 194 | 101.1 Ų | 101.1 | 91% | 0.907 | 52% | 0.522 | S | S | * | . | trans | -76.5 | -7.8 | 169 | -68.4 | -159.9 | 144.5 | 0 | 0 | 113.5 | G1540 N1544 | G1540-E1542 PolarHBondContact O-N 2.92Å; E1542-N1544 PolarHBondContact O-N 2.96Å | ||
| 1543 | E | 36.9 | Very low | 48.7 | Very low | 173 Ų | 173 | 106.4 Ų | 106.4 | 81% | 0.808 | 56% | 0.559 | S | S | * | * | trans | -78.6 | 22.4 | -171.4 | -62.5 | -170.7 | 148.3 | 0 | 0 | 116 | N1541 | N1541-E1543 VanDerWaalsContact C-N 3.25Å; N1541-E1543 PolarHBondContact O-N 3.26Å | ||
| 1544 | N | 31.8 | Very low | 45.6 | Very low | 132 Ų | 132 | 110.2 Ų | 110.2 | 71% | 0.706 | 58% | 0.583 | S | S | * | * | trans | -143.2 | 96.2 | 172.5 | -110 | -35.9 | 0 | 0 | 0 | 111.6 | E1542 D1546 | E1542-N1544 PolarHBondContact O-N 2.96Å; N1544-D1546 VanDerWaalsContact C-N 3.32Å | ||
| 1545 | P | 37.1 | Very low | 43 | Very low | 116 Ų | 116 | 118.1 Ų | 118.1 | 75% | 0.753 | 61% | 0.613 | S | S | * | * | trans | -73.4 | -23.6 | 177.1 | 29.6 | -33.7 | 0 | 0 | 0 | 112.9 | ||||
| 1546 | D | 29.4 | Very low | 40.6 | Very low | 135 Ų | 135 | 123.7 Ų | 123.7 | 72% | 0.722 | 63% | 0.633 | S | S | * | * | trans | -108.8 | 78.9 | -169 | -64.8 | -45.3 | 0 | 0 | 0 | 113.1 | N1544 | N1544-D1546 VanDerWaalsContact C-N 3.32Š| ||
| 1547 | Q | 30.1 | Very low | 38.1 | Very low | 166 Ų | 166 | 133 Ų | 133 | 78% | 0.776 | 67% | 0.666 | S | S | * | * | trans | -161.6 | 119.4 | 150.8 | -114.9 | 166.2 | 37.1 | 0 | 0 | 113.2 | C1549 | Q1547-C1549 PolarHBondContact O-N 3.11Å; Q1547-C1549 VanDerWaalsContact O-N 3.13Å | ||
| 1548 | N | 25.5 | Very low | 35.9 | Very low | 177 Ų | 177 | 126.9 Ų | 126.9 | 95% | 0.947 | 64% | 0.639 | S | S | * | * | trans | -49.8 | 110.4 | 179.3 | -78 | -37.5 | 0 | 0 | 0 | 113.4 | ||||
| 1549 | C | 26.8 | Very low | 34 | Very low | 78 Ų | 78 | 127.8 Ų | 127.8 | 53% | 0.527 | 65% | 0.652 | S | S | . | * | trans | -157.1 | 126.9 | 153.8 | -154.4 | 0 | 0 | 0 | 0 | 110.1 | Q1547 L1551 | Q1547-C1549 PolarHBondContact O-N 3.11Å; Q1547-C1549 VanDerWaalsContact O-N 3.13Å; C1549-L1551 PolarHBondContact O-N 3.35Å | ||
| 1550 | I | 30.2 | Very low | 32.4 | Very low | 180 Ų | 180 | 127.6 Ų | 127.6 | 92% | 0.923 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | 34.7 | -169.6 | -62.7 | 165.4 | 0 | 0 | 0 | 112.4 | ||
| 1551 | L | 28.7 | Very low | 31.2 | Very low | 128 Ų | 128 | 131.2 Ų | 131.2 | 67% | 0.67 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.5 | 5.8 | -172.2 | -84.7 | 164.6 | 0 | 0 | 0 | 114.5 | C1549 | C1549-L1551 PolarHBondContact O-N 3.35Š|
| 1552 | K | 24.4 | Very low | 30.9 | Very low | 162 Ų | 162 | 130.3 Ų | 130.3 | 70% | 0.704 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -111.7 | 85.8 | -174.2 | -67.7 | -177.8 | 179.2 | 176.7 | 0 | 113 | ||
| 1553 | S | 27.7 | Very low | 30.4 | Very low | 115 Ų | 115 | 125.4 Ų | 125.4 | 80% | 0.804 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -175.6 | -15.2 | 154.5 | -172.5 | 0 | 0 | 0 | 0 | 112.9 | ||
| 1554 | T | 29.1 | Very low | 30 | Very low | 81 Ų | 81 | 118.9 Ų | 118.9 | 50% | 0.497 | 62% | 0.615 | S | S | . | * | trans | -111.1 | 30.5 | -154.3 | -18.7 | 0 | 0 | 0 | 0 | 115.5 | T1558 | T1554-T1558 HydrophobicContact CG2-CG2 3.82Å; T1554-T1558 PolarHBondContact O-OG1 3.01Å | ||
| 1555 | R | 35 | Very low | 29.8 | Very low | 167 Ų | 167 | 119 Ų | 119 | 63% | 0.63 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -109.5 | -9.7 | -175.8 | -79.2 | -169.5 | 180 | 178.4 | 2.1 | 117.6 | ||
| 1556 | Y | 37.4 | Very low | 29.6 | Very low | 124 Ų | 124 | 118 Ų | 118 | 49% | 0.486 | 60% | 0.604 | S | S | . | * | S | Bend | trans | -127.8 | 5.3 | -178.8 | -73 | -70.6 | 0 | 0 | 0 | 116.4 | F1538 | F1538-Y1556 WeakPolarHBondContact CE1-OH 3.31Å; F1538-Y1556 WeakPolarHBondContact CZ-OH 3.43Å; F1538-Y1556 PolarHBondContact O-OH 3.44Å; F1538-Y1556 VanDerWaalsContact O-OH 3.12Å |
| 1557 | R | 28.7 | Very low | 29.4 | Very low | 233 Ų | 233 | 115.3 Ų | 115.3 | 88% | 0.879 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -122.3 | -3.3 | 176.5 | -74 | -170.9 | 178 | 179 | 2.6 | 115.7 | ||
| 1558 | T | 29 | Very low | 29.2 | Very low | 22 Ų | 22 | 116.7 Ų | 116.7 | 14% | 0.135 | 59% | 0.59 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -121.8 | 48.9 | -159.9 | 43 | 0 | 0 | 0 | 0 | 114.6 | T1554 E1561 | T1554-T1558 HydrophobicContact CG2-CG2 3.82Å; T1554-T1558 PolarHBondContact O-OG1 3.01Å; T1558-E1561 HydrophobicContact CG2-CB 4.32Å; T1558-E1561 HydrophobicContact CG2-CG 4.35Å; T1558-E1561 VanDerWaalsContact CG2-OE2 3.26Å; T1558-E1561 WeakPolarHBondContact CG2-OE2 3.47Å |
| 1559 | A | 30.4 | Very low | 29 | Very low | 49 Ų | 49 | 111.3 Ų | 111.3 | 41% | 0.405 | 58% | 0.576 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.3 | -18.7 | 151.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 1560 | S | 30.7 | Very low | 28.9 | Very low | 86 Ų | 86 | 114.6 Ų | 114.6 | 60% | 0.601 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -84.6 | -29.5 | -176.9 | -162.1 | 0 | 0 | 0 | 0 | 114 | T1564 | S1560-T1564 WeakPolarHBondContact O-CG2 3.43Å; S1560-T1564 PolarHBondContact O-OG1 2.79Å |
| 1561 | E | 27 | Very low | 28.6 | Very low | 115 Ų | 115 | 111.4 Ų | 111.4 | 54% | 0.537 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -87.4 | -26.3 | -171.2 | -68.7 | -171.8 | 149.9 | 0 | 0 | 114.7 | T1558 T1564 N1565 | T1558-E1561 HydrophobicContact CG2-CB 4.32Å; T1558-E1561 HydrophobicContact CG2-CG 4.35Å; T1558-E1561 VanDerWaalsContact CG2-OE2 3.26Å; T1558-E1561 WeakPolarHBondContact CG2-OE2 3.47Å; E1561-T1564 WeakPolarHBondContact CA-OG1 3.46Å; E1561-T1564 PolarHBondContact O-OG1 2.96Å; E1561-N1565 PolarHBondContact O-N 3.11Å; E1561-N1565 PolarHBondContact O-ND2 3.24Å |
| 1562 | I | 31.3 | Very low | 28.5 | Very low | 104 Ų | 104 | 114.2 Ų | 114.2 | 53% | 0.533 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -78.3 | -32.3 | -177.3 | -61.2 | 179.2 | 0 | 0 | 0 | 111.7 | ||
| 1563 | I | 31.5 | Very low | 28.4 | Very low | 90 Ų | 90 | 118.1 Ų | 118.1 | 46% | 0.462 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -81.3 | -23 | 176.4 | -62.5 | 177.8 | 0 | 0 | 0 | 111.9 | T1567 | I1563-T1567 PolarHBondContact O-OG1 3Å |
| 1564 | T | 28.7 | Very low | 28.3 | Very low | 37 Ų | 37 | 119.1 Ų | 119.1 | 23% | 0.227 | 61% | 0.609 | C | S | . | * | H | α-helix | trans | -81.2 | -16.5 | 178.5 | 44.5 | 0 | 0 | 0 | 0 | 114.3 | S1560 E1561 | S1560-T1564 WeakPolarHBondContact O-CG2 3.43Å; S1560-T1564 PolarHBondContact O-OG1 2.79Å; E1561-T1564 WeakPolarHBondContact CA-OG1 3.46Å; E1561-T1564 PolarHBondContact O-OG1 2.96Å |
| 1565 | N | 27.1 | Very low | 28 | Very low | 135 Ų | 135 | 119.6 Ų | 119.6 | 72% | 0.722 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -80 | -15.5 | 177.3 | -75.6 | -14.5 | 0 | 0 | 0 | 114.5 | E1561 | E1561-N1565 PolarHBondContact O-N 3.11Å; E1561-N1565 PolarHBondContact O-ND2 3.24Å |
| 1566 | I | 32.2 | Very low | 27.4 | Very low | 95 Ų | 95 | 114.2 Ų | 114.2 | 49% | 0.487 | 61% | 0.608 | S | S | . | * | S | Bend | trans | -95.1 | -5.2 | 179.6 | -67 | 175.9 | 0 | 0 | 0 | 112.2 | R1699 | I1566-R1699 PolarHBondContact O-NH1 3.13Š|
| 1567 | T | 25.6 | Very low | 26.7 | Very low | 78 Ų | 78 | 116.2 Ų | 116.2 | 48% | 0.479 | 62% | 0.624 | S | S | . | * | S | Bend | trans | -126.5 | 6.9 | -173.3 | 43.4 | 0 | 0 | 0 | 0 | 115.8 | I1563 | I1563-T1567 PolarHBondContact O-OG1 3Š|
| 1568 | R | 25.6 | Very low | 26.4 | Very low | 195 Ų | 195 | 107.5 Ų | 107.5 | 74% | 0.736 | 61% | 0.606 | S | S | * | * | trans | -110.2 | 73.9 | -179.7 | -77.2 | -175.4 | 171.3 | 162.5 | -0.3 | 114.8 | ||||
| 1569 | G | 22.5 | Very low | 26.1 | Very low | 64 Ų | 64 | 114.6 Ų | 114.6 | 66% | 0.66 | 64% | 0.638 | S | S | * | * | trans | -76.5 | 138.8 | 141.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1570 | T | 24.7 | Very low | 26.2 | Very low | 147 Ų | 147 | 118.7 Ų | 118.7 | 90% | 0.902 | 66% | 0.657 | S | S | * | * | S | Bend | trans | 75.5 | 143.4 | -179.8 | 73.4 | 0 | 0 | 0 | 0 | 117.7 | ||
| 1571 | S | 24.2 | Very low | 26.1 | Very low | 113 Ų | 113 | 116.9 Ų | 116.9 | 79% | 0.79 | 65% | 0.652 | S | S | * | * | trans | -107.6 | 132.8 | -166.1 | 173.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1572 | Q | 25.1 | Very low | 26.5 | Very low | 187 Ų | 187 | 113.7 Ų | 113.7 | 87% | 0.874 | 65% | 0.645 | S | S | * | * | trans | -164.9 | 138.8 | 138.9 | -109.8 | 169.3 | 18.3 | 0 | 0 | 111.5 | ||||
| 1573 | R | 22.8 | Very low | 27 | Very low | 244 Ų | 244 | 111.4 Ų | 111.4 | 92% | 0.921 | 63% | 0.634 | S | S | * | * | trans | -83.7 | 129.3 | 171.6 | -76.1 | 174.7 | 167.2 | 168.3 | -5.4 | 109.4 | ||||
| 1574 | V | 24.7 | Very low | 27.5 | Very low | 136 Ų | 136 | 108.3 Ų | 108.3 | 82% | 0.824 | 62% | 0.62 | S | S | * | * | trans | -130.2 | 130 | 158.5 | 177.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1575 | V | 23.9 | Very low | 28.2 | Very low | 90 Ų | 90 | 107.1 Ų | 107.1 | 55% | 0.545 | 61% | 0.613 | S | S | . | * | trans | -81.4 | 134.1 | 173.6 | 173 | 0 | 0 | 0 | 0 | 108.3 | L590 | L590-V1575 HydrophobicContact CD1-CB 4.48Å; L590-V1575 HydrophobicContact CD1-CG2 4.19Å | ||
| 1576 | G | 22.5 | Very low | 29.3 | Very low | 54 Ų | 54 | 100.9 Ų | 100.9 | 56% | 0.557 | 58% | 0.581 | S | S | * | * | trans | -178.1 | 115.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110 | G1578 | G1576-G1578 PolarHBondContact O-N 3Š| ||
| 1577 | M | 21.9 | Very low | 30.4 | Very low | 167 Ų | 167 | 96.7 Ų | 96.7 | 82% | 0.823 | 56% | 0.56 | S | S | * | * | trans | -84.1 | 69.9 | -173.8 | -165.6 | 174.8 | -179.2 | 0 | 0 | 109.8 | A587 | A587-M1577 PolarHBondContact O-N 2.61Š| ||
| 1578 | G | 22.5 | Very low | 32.9 | Very low | 49 Ų | 49 | 96.4 Ų | 96.4 | 51% | 0.505 | 55% | 0.551 | S | S | . | * | trans | -74.3 | 144.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | G1576 | G1576-G1578 PolarHBondContact O-N 3Š| ||
| 1579 | E | 24 | Very low | 35.9 | Very low | 172 Ų | 172 | 87.4 Ų | 87.4 | 80% | 0.804 | 52% | 0.517 | S | S | * | . | trans | -56.4 | 156.5 | 172.9 | -64.3 | -178 | 122.7 | 0 | 0 | 111.6 | G1581 | E1579-G1581 PolarHBondContact O-N 3.42Š| ||
| 1580 | V | 31.5 | Very low | 39.3 | Very low | 135 Ų | 135 | 84.3 Ų | 84.3 | 82% | 0.818 | 49% | 0.486 | S | S | * | . | trans | -68.2 | 77.5 | 177.4 | -178.1 | 0 | 0 | 0 | 0 | 110 | A1582 | V1580-A1582 PolarHBondContact O-N 2.87Š| ||
| 1581 | G | 27.8 | Very low | 42.7 | Very low | 48 Ų | 48 | 77.3 Ų | 77.3 | 50% | 0.495 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | 119.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | E1579 | E1579-G1581 PolarHBondContact O-N 3.42Š|
| 1582 | A | 35.9 | Very low | 46.1 | Very low | 47 Ų | 47 | 72 Ų | 72 | 39% | 0.388 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 75.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | V1580 P1584 | V1580-A1582 PolarHBondContact O-N 2.87Å; A1582-P1584 VanDerWaalsContact O-CD 3.25Å; A1582-P1584 WeakPolarHBondContact O-CD 3.47Å |
| 1583 | D | 42.3 | Very low | 49.5 | Very low | 56 Ų | 56 | 63.1 Ų | 63.1 | 30% | 0.299 | 36% | 0.364 | S | S | . | . | trans | -54.5 | 116.3 | 133.7 | -176 | -29.2 | 0 | 0 | 0 | 106.6 | T1585 | D1583-T1585 PolarHBondContact O-N 2.85Å; D1583-T1585 VanDerWaalsContact O-N 3.1Å; D1583-T1585 WeakPolarHBondContact OD1-CA 3.41Å; D1583-T1585 PolarHBondContact OD1-N 3.42Å; D1583-T1585 PolarHBondContact OD1-OG1 2.92Å | ||
| 1584 | P | 41.5 | Very low | 52.9 | Low | 26 Ų | 26 | 51.5 Ų | 51.5 | 17% | 0.169 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -8.4 | -176.8 | 27.6 | -34.1 | 0 | 0 | 0 | 113.4 | A1582 R1692 | A1582-P1584 VanDerWaalsContact O-CD 3.25Å; A1582-P1584 WeakPolarHBondContact O-CD 3.47Å; P1584-R1692 VanDerWaalsContact CB-NH1 3.28Å |
| 1585 | T | 44.5 | Very low | 56.1 | Low | 12 Ų | 12 | 49 Ų | 49 | 7% | 0.074 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.4 | 28.3 | -165.5 | 57.6 | 0 | 0 | 0 | 0 | 114.1 | G1430 W1481 D1583 | G1430-T1585 CarbonylContact C-O 3.54Å; G1430-T1585 VanDerWaalsContact C-O 3.31Å; G1430-T1585 CarbonylContact O-C 3.56Å; W1481-T1585 HydrophobicContact CD2-CG2 4.36Å; W1481-T1585 HydrophobicContact CE3-CG2 3.83Å; W1481-T1585 HydrophobicContact CH2-CG2 3.34Å; W1481-T1585 VanDerWaalsContact CH2-OG1 3.28Å; W1481-T1585 WeakPolarHBondContact CH2-OG1 3.31Å; W1481-T1585 HydrophobicContact CZ2-CG2 3.88Å; W1481-T1585 WeakPolarHBondContact CZ2-OG1 3.25Å; W1481-T1585 HydrophobicContact CZ3-CG2 3.3Å; D1583-T1585 PolarHBondContact O-N 2.85Å; D1583-T1585 VanDerWaalsContact O-N 3.1Å; D1583-T1585 WeakPolarHBondContact OD1-CA 3.41Å; D1583-T1585 PolarHBondContact OD1-N 3.42Å; D1583-T1585 PolarHBondContact OD1-OG1 2.92Å |
| 1586 | G | 48.7 | Very low | 59.1 | Low | 4 Ų | 4 | 49.6 Ų | 49.6 | 4% | 0.041 | 29% | 0.292 | C | S | . | . | trans | 83.4 | 179.9 | 165.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | G1430 D1431 R1679 | G1430-G1586 WeakPolarHBondContact O-CA 3.37Å; G1430-G1586 PolarHBondContact O-N 2.83Å; D1431-G1586 WeakPolarHBondContact OD1-CA 3.44Å; G1586-R1679 PolarHBondContact O-NH2 3.36Å | ||
| 1587 | G | 57.1 | Low | 62.1 | Low | 6 Ų | 6 | 48.2 Ų | 48.2 | 6% | 0.062 | 27% | 0.27 | C | S | . | . | trans | -85.8 | 142.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | S1676 | G1587-S1676 PolarHBondContact N-OG 2.92Š| ||
| 1588 | R | 77.3 | Confident | 64.8 | Low | 73 Ų | 73 | 42.7 Ų | 42.7 | 28% | 0.275 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 125.5 | 164.5 | -62.9 | -179.8 | -174 | 172.1 | 3.5 | 109 | T1432 F1620 | T1432-R1588 WeakPolarHBondContact O-CA 3.48Å; R1588-F1620 VanDerWaalsContact CD-O 3.28Å; R1588-F1620 WeakPolarHBondContact CD-O 3.44Å; R1588-F1620 PolarHBondContact NH1-O 3.01Å |
| 1589 | V | 89.6 | Confident | 67.8 | Low | 5 Ų | 5 | 40.8 Ų | 40.8 | 3% | 0.03 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 136.8 | 167.5 | -178.8 | 0 | 0 | 0 | 0 | 107.6 | T1432 L1433 L1434 V1624 I1626 V1672 L1675 | T1432-V1589 PolarHBondContact O-N 3.47Å; L1433-V1589 HydrophobicContact CD1-CB 4.24Å; L1433-V1589 HydrophobicContact CD1-CG1 4.38Å; L1433-V1589 WeakPolarHBondContact CD1-O 3.46Å; L1434-V1589 PolarHBondContact N-O 2.91Å; V1589-V1624 HydrophobicContact CG1-CB 4.34Å; V1589-V1624 HydrophobicContact CG1-CG1 4.3Å; V1589-I1626 HydrophobicContact CG1-CD1 3.96Å; V1589-I1626 HydrophobicContact CG1-CG1 4.3Å; V1589-V1672 HydrophobicContact CB-CG1 4.27Å; V1589-V1672 HydrophobicContact CB-CG2 4.02Å; V1589-V1672 HydrophobicContact CG1-CG2 3.98Å; V1589-V1672 HydrophobicContact CG2-CG1 4.12Å; V1589-V1672 HydrophobicContact CG2-CG2 4.32Å; V1589-L1675 HydrophobicContact CG2-CD1 4.13Å |
| 1590 | A | 93.1 | Very high | 70.4 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 139 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | L1434 F1436 T1616 C1622 V1624 T1625 I1626 | L1434-A1590 CarbonylContact O-C 3.4Å; L1434-A1590 WeakPolarHBondContact O-CA 3.44Å; F1436-A1590 HydrophobicContact CD2-CB 4.38Å; F1436-A1590 HydrophobicContact CE2-CB 4.02Å; A1590-T1616 HydrophobicContact CB-CG2 3.73Å; A1590-C1622 HydrophobicContact CB-CB 3.74Å; A1590-V1624 PolarHBondContact N-O 3.13Å; A1590-V1624 VanDerWaalsContact N-O 3.08Å; A1590-T1625 HydrophobicContact CB-CG2 3.97Å; A1590-T1625 CarbonylContact O-C 3.59Å; A1590-T1625 WeakPolarHBondContact O-CA 3.46Å; A1590-I1626 PolarHBondContact O-N 3.24Å |
| 1591 | V | 96.1 | Very high | 72.2 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 132.4 | 160.4 | 167.7 | 0 | 0 | 0 | 0 | 107.5 | L1433 L1434 V1435 F1436 F1465 I1626 I1628 V1668 | L1433-V1591 HydrophobicContact CD1-CB 4.44Å; L1433-V1591 HydrophobicContact CD1-CG2 3.68Å; L1433-V1591 HydrophobicContact CG-CG2 4.49Å; L1434-V1591 PolarHBondContact O-N 2.73Å; V1435-V1591 CarbonylContact C-O 3.53Å; V1435-V1591 WeakPolarHBondContact CA-O 3.37Å; V1435-V1591 HydrophobicContact CG1-CB 4.33Å; V1435-V1591 HydrophobicContact CG1-CG1 4.12Å; V1435-V1591 HydrophobicContact CG2-CB 4.24Å; F1436-V1591 PolarHBondContact N-O 3.42Å; F1465-V1591 HydrophobicContact CE1-CG1 4.04Å; F1465-V1591 HydrophobicContact CZ-CG1 4.02Å; V1591-I1626 CarbonylContact C-O 3.39Å; V1591-I1626 VanDerWaalsContact CA-O 3.26Å; V1591-I1626 WeakPolarHBondContact CA-O 3.35Å; V1591-I1626 HydrophobicContact CG2-CB 4.06Å; V1591-I1626 HydrophobicContact CG2-CD1 4.35Å; V1591-I1626 HydrophobicContact CG2-CG2 4.5Å; V1591-I1628 HydrophobicContact CG1-CD1 3.54Å; V1591-I1628 HydrophobicContact CG1-CG1 4.12Å; V1591-V1668 HydrophobicContact CG2-CG1 3.85Å |
| 1592 | V | 95.9 | Very high | 74 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 110.8 | 176.1 | 179.8 | 0 | 0 | 0 | 0 | 107.9 | F1436 V1438 L1594 I1612 T1616 T1625 I1626 Y1627 I1628 | F1436-V1592 HydrophobicContact CB-CG2 4.42Å; F1436-V1592 HydrophobicContact CD2-CG2 4.34Å; V1438-V1592 HydrophobicContact CB-CG1 4.45Å; V1438-V1592 HydrophobicContact CG2-CG1 3.63Å; V1592-L1594 HydrophobicContact CG1-CD2 3.67Å; V1592-L1594 HydrophobicContact CG1-CG 4.17Å; V1592-I1612 HydrophobicContact CG1-CG2 4.02Å; V1592-I1612 HydrophobicContact CG2-CG2 4.08Å; V1592-T1616 HydrophobicContact CG2-CG2 3.97Å; V1592-T1625 HydrophobicContact CB-CG2 4.47Å; V1592-T1625 HydrophobicContact CG2-CG2 3.6Å; V1592-I1626 PolarHBondContact N-O 2.76Å; V1592-Y1627 HydrophobicContact CB-CD1 3.7Å; V1592-Y1627 HydrophobicContact CB-CE1 3.78Å; V1592-Y1627 HydrophobicContact CG1-CD1 3.96Å; V1592-Y1627 HydrophobicContact CG1-CE1 3.98Å; V1592-Y1627 HydrophobicContact CG2-CD1 4.33Å; V1592-Y1627 HydrophobicContact CG2-CE1 3.94Å; V1592-Y1627 WeakPolarHBondContact O-CA 3.4Å; V1592-I1628 PolarHBondContact O-N 2.95Å |
| 1593 | W | 96.1 | Very high | 75 | Confident | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.008 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 116.9 | 171.5 | -169.7 | -80.8 | 0 | 0 | 0 | 109.2 | F1436 Y1437 V1438 A1461 F1462 F1465 I1628 P1630 L1664 | F1436-W1593 PolarHBondContact O-N 2.86Å; Y1437-W1593 HydrophobicContact CD2-CB 4.27Å; Y1437-W1593 AromaticContact CD2-CD1 3.66Å; Y1437-W1593 HydrophobicContact CD2-CG 4.16Å; Y1437-W1593 AromaticContact CE2-CD1 3.45Å; Y1437-W1593 VanDerWaalsContact CE2-CD1 3.45Å; Y1437-W1593 HydrophobicContact CE2-CG 4.33Å; Y1437-W1593 AromaticContact CE2-NE1 3.91Å; V1438-W1593 PolarHBondContact N-O 3.19Å; A1461-W1593 HydrophobicContact CB-CH2 4.18Å; A1461-W1593 HydrophobicContact CB-CZ2 3.99Å; A1461-W1593 WeakPolarHBondContact O-CH2 3.3Å; F1462-W1593 HydrophobicContact CB-CD2 4.37Å; F1462-W1593 HydrophobicContact CB-CZ2 4.38Å; F1462-W1593 HydrophobicContact CD2-CB 3.82Å; F1462-W1593 AromaticContact CD2-CD2 3.62Å; F1462-W1593 HydrophobicContact CD2-CD2 3.62Å; F1462-W1593 AromaticContact CD2-CE3 3.84Å; F1462-W1593 HydrophobicContact CD2-CE3 3.84Å; F1462-W1593 AromaticContact CD2-CG 3.62Å; F1462-W1593 HydrophobicContact CD2-CG 3.62Å; F1462-W1593 HydrophobicContact CE2-CB 3.81Å; F1462-W1593 HydrophobicContact CE2-CD2 4.45Å; F1462-W1593 HydrophobicContact CE2-CG 4.14Å; F1462-W1593 HydrophobicContact CG-CD2 4.46Å; F1465-W1593 HydrophobicContact CB-CH2 4.34Å; F1465-W1593 HydrophobicContact CB-CZ3 3.74Å; F1465-W1593 HydrophobicContact CD1-CE3 4.12Å; F1465-W1593 HydrophobicContact CD1-CZ3 4.1Å; F1465-W1593 HydrophobicContact CG-CE3 4.38Å; F1465-W1593 AromaticContact CG-CZ3 3.9Å; F1465-W1593 HydrophobicContact CG-CZ3 3.9Å; W1593-I1628 WeakPolarHBondContact CA-O 3.19Å; W1593-I1628 HydrophobicContact CD2-CG2 4.43Å; W1593-I1628 HydrophobicContact CE3-CB 4.07Å; W1593-I1628 HydrophobicContact CE3-CG2 3.66Å; W1593-I1628 HydrophobicContact CH2-CG2 4.37Å; W1593-I1628 HydrophobicContact CZ3-CG2 3.63Å; W1593-P1630 HydrophobicContact CZ2-CB 4.04Å; W1593-P1630 HydrophobicContact CZ2-CG 3.8Å; W1593-L1664 HydrophobicContact CZ3-CD2 4.17Å |
| 1594 | L | 94.2 | Very high | 75.5 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 122.7 | -177.5 | -63 | 176.2 | 0 | 0 | 0 | 110.4 | V1438 V1592 R1596 W1597 D1599 I1612 Y1627 I1628 H1629 | V1438-L1594 HydrophobicContact CB-CD2 4.05Å; V1438-L1594 HydrophobicContact CG1-CD2 4.25Å; V1438-L1594 HydrophobicContact CG2-CD2 4.44Å; V1592-L1594 HydrophobicContact CG1-CD2 3.67Å; V1592-L1594 HydrophobicContact CG1-CG 4.17Å; L1594-R1596 PolarHBondContact O-N 3.22Å; L1594-W1597 HydrophobicContact CD1-CE3 4.43Å; L1594-D1599 HydrophobicContact CD2-CB 4.35Å; L1594-I1612 HydrophobicContact CD2-CD1 4.41Å; L1594-Y1627 HydrophobicContact CD1-CD1 3.87Å; L1594-Y1627 HydrophobicContact CD1-CG 4.46Å; L1594-Y1627 HydrophobicContact CD2-CD1 4.43Å; L1594-Y1627 HydrophobicContact CG-CD1 4.23Å; L1594-I1628 PolarHBondContact N-O 3.05Å; L1594-H1629 PolarHBondContact O-ND1 3.12Å |
| 1595 | E | 92 | Very high | 76 | Confident | 84 Ų | 84 | 26.4 Ų | 26.4 | 39% | 0.393 | 12% | 0.123 | S | C | . | . | S | Bend | trans | -63.3 | -28.9 | 164.9 | -76.1 | -177.1 | 179.3 | 0 | 0 | 112.4 | Y1437 V1438 A1439 A1440 H1629 | Y1437-E1595 HydrophobicContact CE1-CG 4.18Å; Y1437-E1595 WeakPolarHBondContact CE1-OE1 3.38Å; Y1437-E1595 VanDerWaalsContact OH-CG 3.23Å; Y1437-E1595 WeakPolarHBondContact OH-CG 3.47Å; Y1437-E1595 PolarHBondContact OH-OE1 2.89Å; V1438-E1595 PolarHBondContact O-N 3.27Å; V1438-E1595 VanDerWaalsContact O-N 3.12Å; A1439-E1595 VanDerWaalsContact CA-CD 3.46Å; A1439-E1595 VanDerWaalsContact CA-OE2 3.25Å; A1439-E1595 WeakPolarHBondContact CA-OE2 3.43Å; A1439-E1595 WeakPolarHBondContact CB-OE2 3.45Å; A1440-E1595 HydrophobicContact CB-CB 4.28Å; A1440-E1595 PolarHBondContact N-OE2 3.5Å; E1595-H1629 PolarHBondContact O-CE1 3.45Å; E1595-H1629 PolarHBondContact O-ND1 2.98Å |
| 1596 | R | 87.3 | Confident | 76.5 | Confident | 102 Ų | 102 | 29.6 Ų | 29.6 | 39% | 0.385 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -133.1 | 119.4 | 179.5 | 179.6 | -172.6 | -175.4 | 171.9 | -1.3 | 110.5 | A1440 L1594 E1598 D1599 | A1440-R1596 HydrophobicContact CB-CB 4.26Å; L1594-R1596 PolarHBondContact O-N 3.22Å; R1596-E1598 HydrophobicContact CG-CB 4.17Å; R1596-E1598 IonicContact CZ-OE2 2.72Å; R1596-E1598 VanDerWaalsContact CZ-OE2 3.23Å; R1596-E1598 IonicContact NE-OE2 3.49Å; R1596-E1598 PolarHBondContact NE-OE2 3.36Å; R1596-E1598 IonicContact NH2-OE2 3.86Å; R1596-E1598 PolarHBondContact NH2-OE2 2.72Å; R1596-E1598 PolarHBondContact O-N 3.45Å; R1596-E1598 VanDerWaalsContact O-N 3.13Å; R1596-D1599 WeakPolarHBondContact CB-OD2 3.37Å; R1596-D1599 WeakPolarHBondContact O-CB 3.26Å; R1596-D1599 PolarHBondContact O-N 3.14Å |
| 1597 | W | 85.4 | Confident | 77.5 | Confident | 25 Ų | 25 | 31.2 Ų | 31.2 | 10% | 0.095 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -55.2 | -32.1 | -179.6 | -175.3 | -116.5 | 0 | 0 | 0 | 114.8 | L1594 D1599 G1600 H1603 H1629 R1637 | L1594-W1597 HydrophobicContact CD1-CE3 4.43Å; W1597-D1599 PolarHBondContact O-N 3.43Å; W1597-G1600 PolarHBondContact O-N 3.24Å; W1597-H1603 AromaticContact CD1-CE1 3.9Å; W1597-H1603 AromaticContact CD1-NE2 3.19Å; W1597-H1603 AromaticContact CE2-NE2 3.62Å; W1597-H1603 AromaticContact NE1-CE1 3.45Å; W1597-H1603 PolarHBondContact NE1-CE1 3.38Å; W1597-H1603 AromaticContact NE1-NE2 2.9Å; W1597-H1603 PolarHBondContact NE1-NE2 3Å; W1597-H1629 HydrophobicContact CB-CB 4.49Å; W1597-H1629 HydrophobicContact CE3-CB 3.66Å; W1597-H1629 HydrophobicContact CZ3-CB 4.36Å; W1597-R1637 HydrophobicContact CD2-CG 4.48Å; W1597-R1637 VanDerWaalsContact CE2-CZ 3.44Å; W1597-R1637 HydrophobicContact CE3-CG 4.29Å; W1597-R1637 HydrophobicContact CH2-CG 3.99Å; W1597-R1637 HydrophobicContact CZ2-CG 4.22Å; W1597-R1637 HydrophobicContact CZ3-CG 4.02Å |
| 1598 | E | 78.5 | Confident | 78.3 | Confident | 51 Ų | 51 | 32.6 Ų | 32.6 | 24% | 0.238 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -68.5 | -16.3 | 179.6 | -58 | -176.2 | 142.9 | 0 | 0 | 113.7 | R701 R1596 G1600 | R701-E1598 IonicContact CZ-OE1 3.66Å; R701-E1598 VanDerWaalsContact NH2-CD 3.33Å; R701-E1598 IonicContact NH2-OE1 3.46Å; R701-E1598 PolarHBondContact NH2-OE1 2.83Å; R1596-E1598 HydrophobicContact CG-CB 4.17Å; R1596-E1598 IonicContact CZ-OE2 2.72Å; R1596-E1598 VanDerWaalsContact CZ-OE2 3.23Å; R1596-E1598 IonicContact NE-OE2 3.49Å; R1596-E1598 PolarHBondContact NE-OE2 3.36Å; R1596-E1598 IonicContact NH2-OE2 3.86Å; R1596-E1598 PolarHBondContact NH2-OE2 2.72Å; R1596-E1598 PolarHBondContact O-N 3.45Å; R1596-E1598 VanDerWaalsContact O-N 3.13Å; E1598-G1600 PolarHBondContact O-N 3.42Å |
| 1599 | D | 84.5 | Confident | 78.4 | Confident | 8 Ų | 8 | 29.4 Ų | 29.4 | 4% | 0.043 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -78.8 | -8.2 | 176.3 | -64.6 | -26.2 | 0 | 0 | 0 | 112.3 | A1440 G1441 L1594 R1596 W1597 V1608 G1609 | A1440-D1599 WeakPolarHBondContact CA-OD2 3.41Å; G1441-D1599 PolarHBondContact N-OD2 2.82Å; L1594-D1599 HydrophobicContact CD2-CB 4.35Å; R1596-D1599 WeakPolarHBondContact CB-OD2 3.37Å; R1596-D1599 WeakPolarHBondContact O-CB 3.26Å; R1596-D1599 PolarHBondContact O-N 3.14Å; W1597-D1599 PolarHBondContact O-N 3.43Å; D1599-V1608 HydrophobicContact CB-CB 4.47Å; D1599-V1608 HydrophobicContact CB-CG1 3.74Å; D1599-G1609 WeakPolarHBondContact O-CA 3.47Å; D1599-G1609 PolarHBondContact O-N 3.14Å; D1599-G1609 VanDerWaalsContact O-N 3.1Å |
| 1600 | G | 80 | Confident | 77.9 | Confident | 3 Ų | 3 | 32.3 Ų | 32.3 | 3% | 0.031 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -79 | 153.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | W1597 E1598 M1602 | W1597-G1600 PolarHBondContact O-N 3.24Å; E1598-G1600 PolarHBondContact O-N 3.42Å; G1600-M1602 PolarHBondContact O-N 2.75Å |
| 1601 | P | 68.5 | Low | 77.5 | Confident | 13 Ų | 13 | 35.9 Ų | 35.9 | 8% | 0.084 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -67.1 | -8.1 | -177.9 | 27.7 | -35.9 | 0 | 0 | 0 | 114.7 | H1603 Q1613 Y1627 M1641 | P1601-H1603 PolarHBondContact O-N 3.2Å; P1601-H1603 VanDerWaalsContact O-N 3.16Å; P1601-Q1613 HydrophobicContact CB-CB 4.31Å; P1601-Q1613 HydrophobicContact CG-CB 4.29Å; P1601-Y1627 VanDerWaalsContact CD-CE1 3.46Å; P1601-Y1627 WeakPolarHBondContact CD-OH 3.34Å; P1601-Y1627 HydrophobicContact CG-CD2 4.46Å; P1601-Y1627 HydrophobicContact CG-CE1 4.18Å; P1601-Y1627 HydrophobicContact CG-CE2 3.6Å; P1601-Y1627 VanDerWaalsContact CG-CZ 3.45Å; P1601-Y1627 WeakPolarHBondContact CG-OH 3.33Å; P1601-M1641 HydrophobicContact CB-CE 3.59Å; P1601-M1641 HydrophobicContact CB-SD 4.18Å; P1601-M1641 HydrophobicContact CG-CE 3.34Å; P1601-M1641 HydrophobicContact CG-SD 4.05Å |
| 1602 | M | 65 | Low | 77 | Confident | 24 Ų | 24 | 36 Ų | 36 | 12% | 0.118 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -64.1 | -15.9 | -180 | -57.3 | -75.8 | 80 | 0 | 0 | 113.7 | G1600 M1641 | G1600-M1602 PolarHBondContact O-N 2.75Å; M1602-M1641 HydrophobicContact CE-CB 3.79Å; M1602-M1641 HydrophobicContact CE-CG 3.73Å; M1602-M1641 HydrophobicContact CE-SD 3.29Å; M1602-M1641 WeakPolarHBondContact CE-SD 3.47Å |
| 1603 | H | 57.6 | Low | 76.5 | Confident | 23 Ų | 23 | 36.5 Ų | 36.5 | 11% | 0.106 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -117.4 | -10.7 | -173 | -56.9 | -64.4 | 0 | 0 | 0 | 115.1 | L697 W1597 P1601 | L697-H1603 HydrophobicContact CD1-CB 4.45Å; L697-H1603 PolarHBondContact N-O 2.91Å; L697-H1603 VanDerWaalsContact N-O 3.16Å; W1597-H1603 AromaticContact CD1-CE1 3.9Å; W1597-H1603 AromaticContact CD1-NE2 3.19Å; W1597-H1603 AromaticContact CE2-NE2 3.62Å; W1597-H1603 AromaticContact NE1-CE1 3.45Å; W1597-H1603 PolarHBondContact NE1-CE1 3.38Å; W1597-H1603 AromaticContact NE1-NE2 2.9Å; W1597-H1603 PolarHBondContact NE1-NE2 3Å; P1601-H1603 PolarHBondContact O-N 3.2Å; P1601-H1603 VanDerWaalsContact O-N 3.16Å |
| 1604 | C | 52.2 | Low | 76 | Confident | 24 Ų | 24 | 38.4 Ų | 38.4 | 16% | 0.162 | 21% | 0.206 | C | C | . | . | trans | -158.6 | 129.6 | -175.2 | -156.5 | 0 | 0 | 0 | 0 | 113.9 | S1606 | C1604-S1606 VanDerWaalsContact C-N 3.31Å; C1604-S1606 PolarHBondContact SG-O 2.88Å | ||
| 1605 | E | 52.5 | Low | 75.8 | Confident | 95 Ų | 95 | 38.5 Ų | 38.5 | 44% | 0.444 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -71.3 | -24.1 | 174.6 | -62.8 | -171.6 | 140.1 | 0 | 0 | 113.2 | I696 M1610 | I696-E1605 HydrophobicContact CD1-CG 3.9Å; I696-E1605 VanDerWaalsContact CD1-OE1 3.28Å; I696-E1605 WeakPolarHBondContact CD1-OE1 3.48Å; I696-E1605 HydrophobicContact CG1-CG 4.09Å; I696-E1605 HydrophobicContact CG2-CG 4.12Å; E1605-M1610 WeakPolarHBondContact O-CB 3.45Å; E1605-M1610 WeakPolarHBondContact O-CE 3.49Å; E1605-M1610 WeakPolarHBondContact O-CG 3.36Å |
| 1606 | S | 54.6 | Low | 75.6 | Confident | 79 Ų | 79 | 34.5 Ų | 34.5 | 55% | 0.552 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -125 | 113.7 | -177.7 | 65.4 | 0 | 0 | 0 | 0 | 112 | C1604 | C1604-S1606 VanDerWaalsContact C-N 3.31Å; C1604-S1606 PolarHBondContact SG-O 2.88Å |
| 1607 | G | 69.8 | Low | 75.4 | Confident | 38 Ų | 38 | 30.4 Ų | 30.4 | 39% | 0.392 | 18% | 0.175 | S | C | . | . | S | Bend | trans | 137.3 | -146.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | G1609 M1610 N1611 | G1607-G1609 PolarHBondContact O-N 2.76Å; G1607-M1610 PolarHBondContact O-N 2.8Å; G1607-N1611 PolarHBondContact O-N 2.88Å |
| 1608 | V | 74.9 | Confident | 75.2 | Confident | 36 Ų | 36 | 36.6 Ų | 36.6 | 22% | 0.218 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -50.5 | -55.5 | -171.4 | -176.4 | 0 | 0 | 0 | 0 | 112.3 | Q1442 D1599 M1610 N1611 I1612 | Q1442-V1608 WeakPolarHBondContact O-CG1 3.48Å; D1599-V1608 HydrophobicContact CB-CB 4.47Å; D1599-V1608 HydrophobicContact CB-CG1 3.74Å; V1608-M1610 PolarHBondContact O-N 3.04Å; V1608-N1611 WeakPolarHBondContact O-CB 3.39Å; V1608-N1611 PolarHBondContact O-N 3.03Å; V1608-N1611 VanDerWaalsContact O-N 3.13Å; V1608-I1612 HydrophobicContact CG1-CD1 3.76Å; V1608-I1612 WeakPolarHBondContact O-CG1 3.42Å; V1608-I1612 PolarHBondContact O-N 2.62Å |
| 1609 | G | 77.7 | Confident | 75.5 | Confident | 5 Ų | 5 | 37.3 Ų | 37.3 | 5% | 0.052 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.2 | -38.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | D1599 G1607 I1612 Q1613 | D1599-G1609 WeakPolarHBondContact O-CA 3.47Å; D1599-G1609 PolarHBondContact O-N 3.14Å; D1599-G1609 VanDerWaalsContact O-N 3.1Å; G1607-G1609 PolarHBondContact O-N 2.76Å; G1609-I1612 PolarHBondContact O-N 2.98Å; G1609-Q1613 PolarHBondContact O-N 2.97Å |
| 1610 | M | 79.6 | Confident | 75.5 | Confident | 66 Ų | 66 | 37.3 Ų | 37.3 | 33% | 0.325 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -69.5 | -34.1 | 176 | -170.8 | 57.6 | 69.8 | 0 | 0 | 111.5 | E1605 G1607 V1608 Q1613 N1614 | E1605-M1610 WeakPolarHBondContact O-CB 3.45Å; E1605-M1610 WeakPolarHBondContact O-CE 3.49Å; E1605-M1610 WeakPolarHBondContact O-CG 3.36Å; G1607-M1610 PolarHBondContact O-N 2.8Å; V1608-M1610 PolarHBondContact O-N 3.04Å; M1610-Q1613 PolarHBondContact O-N 2.78Å; M1610-N1614 WeakPolarHBondContact O-CB 3.41Å; M1610-N1614 PolarHBondContact O-N 3.33Å; M1610-N1614 PolarHBondContact O-ND2 2.62Å |
| 1611 | N | 84.5 | Confident | 75.6 | Confident | 76 Ų | 76 | 42.5 Ų | 42.5 | 41% | 0.406 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -66.7 | -41.6 | 172.9 | -71.1 | -12.6 | 0 | 0 | 0 | 111.8 | G1607 V1608 N1614 M1615 | G1607-N1611 PolarHBondContact O-N 2.88Å; V1608-N1611 WeakPolarHBondContact O-CB 3.39Å; V1608-N1611 PolarHBondContact O-N 3.03Å; V1608-N1611 VanDerWaalsContact O-N 3.13Å; N1611-N1614 PolarHBondContact O-N 3.38Å; N1611-M1615 WeakPolarHBondContact O-CB 3.5Å; N1611-M1615 PolarHBondContact O-N 3.35Å |
| 1612 | I | 87 | Confident | 76.5 | Confident | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.5 | -44.2 | 174.6 | -66.4 | 164.2 | 0 | 0 | 0 | 110.9 | V1438 I1448 V1592 L1594 V1608 G1609 M1615 T1616 Y1627 | V1438-I1612 HydrophobicContact CG1-CD1 3.81Å; V1438-I1612 HydrophobicContact CG2-CD1 4.19Å; I1448-I1612 HydrophobicContact CD1-CD1 4.5Å; I1448-I1612 HydrophobicContact CD1-CG1 3.98Å; V1592-I1612 HydrophobicContact CG1-CG2 4.02Å; V1592-I1612 HydrophobicContact CG2-CG2 4.08Å; L1594-I1612 HydrophobicContact CD2-CD1 4.41Å; V1608-I1612 HydrophobicContact CG1-CD1 3.76Å; V1608-I1612 WeakPolarHBondContact O-CG1 3.42Å; V1608-I1612 PolarHBondContact O-N 2.62Å; G1609-I1612 PolarHBondContact O-N 2.98Å; I1612-M1615 WeakPolarHBondContact O-CB 3.36Å; I1612-M1615 PolarHBondContact O-N 2.79Å; I1612-T1616 PolarHBondContact O-N 3.36Å; I1612-Y1627 HydrophobicContact CG2-CE1 3.98Å |
| 1613 | Q | 85.3 | Confident | 77.3 | Confident | 10 Ų | 10 | 42.2 Ų | 42.2 | 5% | 0.047 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.5 | -42 | 175.8 | -176.3 | 63.4 | 26.7 | 0 | 0 | 112 | P1601 G1609 M1610 M1615 T1616 S1617 Y1627 M1641 | P1601-Q1613 HydrophobicContact CB-CB 4.31Å; P1601-Q1613 HydrophobicContact CG-CB 4.29Å; G1609-Q1613 PolarHBondContact O-N 2.97Å; M1610-Q1613 PolarHBondContact O-N 2.78Å; Q1613-M1615 VanDerWaalsContact C-N 3.27Å; Q1613-M1615 PolarHBondContact O-N 3.01Å; Q1613-T1616 PolarHBondContact O-N 3.01Å; Q1613-T1616 PolarHBondContact O-OG1 3.1Å; Q1613-S1617 WeakPolarHBondContact O-CB 3.38Å; Q1613-S1617 PolarHBondContact O-N 3.14Å; Q1613-S1617 PolarHBondContact O-OG 3.34Å; Q1613-Y1627 PolarHBondContact OE1-OH 3.39Å; Q1613-M1641 HydrophobicContact CB-CE 3.81Å; Q1613-M1641 HydrophobicContact CG-CE 3.25Å |
| 1614 | N | 85.7 | Confident | 78.8 | Confident | 42 Ų | 42 | 41.5 Ų | 41.5 | 23% | 0.225 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.6 | -39.7 | 175.1 | -81.1 | -59.9 | 0 | 0 | 0 | 110.7 | M1610 N1611 K1618 | M1610-N1614 WeakPolarHBondContact O-CB 3.41Å; M1610-N1614 PolarHBondContact O-N 3.33Å; M1610-N1614 PolarHBondContact O-ND2 2.62Å; N1611-N1614 PolarHBondContact O-N 3.38Å; N1614-K1618 HydrophobicContact CB-CD 4.43Å; N1614-K1618 WeakPolarHBondContact O-CA 3.35Å; N1614-K1618 VanDerWaalsContact O-CB 3.24Å; N1614-K1618 WeakPolarHBondContact O-CB 3.32Å; N1614-K1618 PolarHBondContact O-N 3.19Å; N1614-K1618 WeakPolarHBondContact OD1-CD 3.3Å; N1614-K1618 WeakPolarHBondContact OD1-CE 3.29Å; N1614-K1618 PolarHBondContact OD1-NZ 3.09Å |
| 1615 | M | 88.6 | Confident | 80.6 | Confident | 3 Ų | 3 | 40.3 Ų | 40.3 | 2% | 0.015 | 22% | 0.224 | C | C | . | . | I | π-helix | trans | -58.5 | -56.9 | 173 | -174.7 | -161.7 | -36.2 | 0 | 0 | 111.5 | F1436 V1445 I1448 N1611 I1612 Q1613 S1617 N1619 F1620 | F1436-M1615 HydrophobicContact CD1-SD 4.42Å; F1436-M1615 HydrophobicContact CE1-SD 4.41Å; V1445-M1615 HydrophobicContact CB-CE 4.29Å; V1445-M1615 HydrophobicContact CB-CG 4.48Å; V1445-M1615 HydrophobicContact CB-SD 4.48Å; V1445-M1615 HydrophobicContact CG1-CE 4.47Å; V1445-M1615 HydrophobicContact CG1-CG 4.01Å; V1445-M1615 HydrophobicContact CG1-SD 4.03Å; V1445-M1615 HydrophobicContact CG2-CB 4.2Å; V1445-M1615 HydrophobicContact CG2-CE 4.04Å; V1445-M1615 HydrophobicContact CG2-CG 3.91Å; V1445-M1615 HydrophobicContact CG2-SD 4.39Å; I1448-M1615 HydrophobicContact CB-CE 4.12Å; I1448-M1615 HydrophobicContact CD1-CE 3.51Å; I1448-M1615 HydrophobicContact CG1-CE 4.39Å; I1448-M1615 HydrophobicContact CG2-CE 4.06Å; I1448-M1615 HydrophobicContact CG2-SD 4.36Å; N1611-M1615 WeakPolarHBondContact O-CB 3.5Å; N1611-M1615 PolarHBondContact O-N 3.35Å; I1612-M1615 WeakPolarHBondContact O-CB 3.36Å; I1612-M1615 PolarHBondContact O-N 2.79Å; Q1613-M1615 VanDerWaalsContact C-N 3.27Å; Q1613-M1615 PolarHBondContact O-N 3.01Å; M1615-S1617 PolarHBondContact O-N 3.37Å; M1615-N1619 WeakPolarHBondContact O-CA 3.45Å; M1615-N1619 VanDerWaalsContact O-CB 3.25Å; M1615-N1619 WeakPolarHBondContact O-CB 3.36Å; M1615-N1619 PolarHBondContact O-N 2.86Å; M1615-F1620 HydrophobicContact CG-CD2 3.91Å; M1615-F1620 HydrophobicContact CG-CE2 3.73Å; M1615-F1620 WeakPolarHBondContact O-CD2 3.16Å; M1615-F1620 PolarHBondContact O-N 2.78Å; M1615-F1620 HydrophobicContact SD-CE2 4.06Å |
| 1616 | T | 88.4 | Confident | 82.6 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | I | π-helix | trans | -63.5 | -43.7 | -176.5 | 59.9 | 0 | 0 | 0 | 0 | 111.9 | F1436 A1590 V1592 I1612 Q1613 F1620 D1621 C1622 T1625 | F1436-T1616 HydrophobicContact CD2-CG2 4.26Å; F1436-T1616 HydrophobicContact CE2-CG2 4.11Å; A1590-T1616 HydrophobicContact CB-CG2 3.73Å; V1592-T1616 HydrophobicContact CG2-CG2 3.97Å; I1612-T1616 PolarHBondContact O-N 3.36Å; Q1613-T1616 PolarHBondContact O-N 3.01Å; Q1613-T1616 PolarHBondContact O-OG1 3.1Å; T1616-F1620 CarbonylContact O-C 3.59Å; T1616-D1621 PolarHBondContact O-N 3.35Å; T1616-C1622 WeakPolarHBondContact O-CB 3.39Å; T1616-C1622 PolarHBondContact O-N 3.45Å; T1616-T1625 WeakPolarHBondContact CB-OG1 3.35Å; T1616-T1625 HydrophobicContact CG2-CG2 4.04Å; T1616-T1625 PolarHBondContact OG1-OG1 3.08Å |
| 1617 | S | 83.2 | Confident | 84.5 | Confident | 16 Ų | 16 | 32.1 Ų | 32.1 | 11% | 0.112 | 18% | 0.177 | C | C | . | . | I | π-helix | trans | -80.3 | -41.6 | -175.2 | 59.3 | 0 | 0 | 0 | 0 | 115.2 | Q1613 M1615 D1621 | Q1613-S1617 WeakPolarHBondContact O-CB 3.38Å; Q1613-S1617 PolarHBondContact O-N 3.14Å; Q1613-S1617 PolarHBondContact O-OG 3.34Å; M1615-S1617 PolarHBondContact O-N 3.37Å; S1617-D1621 WeakPolarHBondContact O-CA 3.26Å |
| 1618 | K | 81.7 | Confident | 85.7 | Confident | 155 Ų | 155 | 30.3 Ų | 30.3 | 67% | 0.674 | 16% | 0.158 | S | C | * | . | I | π-helix | trans | -95.7 | -38.9 | -176 | -60.7 | 176.1 | 175.5 | 163.8 | 0 | 112.8 | N1614 | N1614-K1618 HydrophobicContact CB-CD 4.43Å; N1614-K1618 WeakPolarHBondContact O-CA 3.35Å; N1614-K1618 VanDerWaalsContact O-CB 3.24Å; N1614-K1618 WeakPolarHBondContact O-CB 3.32Å; N1614-K1618 PolarHBondContact O-N 3.19Å; N1614-K1618 WeakPolarHBondContact OD1-CD 3.3Å; N1614-K1618 WeakPolarHBondContact OD1-CE 3.29Å; N1614-K1618 PolarHBondContact OD1-NZ 3.09Å |
| 1619 | N | 84.9 | Confident | 86.6 | Confident | 66 Ų | 66 | 29.9 Ų | 29.9 | 35% | 0.353 | 15% | 0.154 | S | C | . | . | I | π-helix | trans | -87.6 | -32 | -174.7 | -56.2 | 20.4 | 0 | 0 | 0 | 111.9 | Y1539 M1615 | Y1539-N1619 HydrophobicContact CE2-CB 3.97Å; Y1539-N1619 PolarHBondContact OH-ND2 3.19Å; M1615-N1619 WeakPolarHBondContact O-CA 3.45Å; M1615-N1619 VanDerWaalsContact O-CB 3.25Å; M1615-N1619 WeakPolarHBondContact O-CB 3.36Å; M1615-N1619 PolarHBondContact O-N 2.86Å |
| 1620 | F | 83.9 | Confident | 87.3 | Confident | 7 Ų | 7 | 31.8 Ų | 31.8 | 3% | 0.031 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -112 | -4.2 | -178.4 | -69.3 | -78.8 | 0 | 0 | 0 | 115.2 | L1434 F1436 L1449 P1534 F1538 Y1539 R1588 M1615 T1616 | L1434-F1620 HydrophobicContact CD1-CB 3.9Å; L1434-F1620 HydrophobicContact CD1-CD1 3.88Å; L1434-F1620 HydrophobicContact CD1-CG 4.15Å; F1436-F1620 AromaticContact CE1-CD2 3.94Å; F1436-F1620 HydrophobicContact CE1-CD2 3.94Å; F1436-F1620 HydrophobicContact CE1-CE1 4.38Å; F1436-F1620 AromaticContact CE1-CE2 3.64Å; F1436-F1620 HydrophobicContact CE1-CE2 3.64Å; F1436-F1620 HydrophobicContact CE1-CG 4.44Å; F1436-F1620 AromaticContact CE1-CZ 3.89Å; F1436-F1620 HydrophobicContact CE1-CZ 3.89Å; F1436-F1620 HydrophobicContact CZ-CB 4.46Å; F1436-F1620 HydrophobicContact CZ-CD1 4.19Å; F1436-F1620 AromaticContact CZ-CD2 3.64Å; F1436-F1620 HydrophobicContact CZ-CD2 3.64Å; F1436-F1620 HydrophobicContact CZ-CE1 4.38Å; F1436-F1620 AromaticContact CZ-CE2 3.85Å; F1436-F1620 HydrophobicContact CZ-CE2 3.85Å; F1436-F1620 AromaticContact CZ-CG 3.83Å; F1436-F1620 HydrophobicContact CZ-CG 3.83Å; F1436-F1620 HydrophobicContact CZ-CZ 4.23Å; L1449-F1620 HydrophobicContact CD1-CZ 4.27Å; L1449-F1620 HydrophobicContact CD2-CZ 4.01Å; P1534-F1620 HydrophobicContact CB-CE1 4.11Å; P1534-F1620 HydrophobicContact CB-CZ 4.32Å; P1534-F1620 HydrophobicContact CG-CE1 4.37Å; F1538-F1620 HydrophobicContact CD1-CE1 4.15Å; F1538-F1620 HydrophobicContact CE1-CD1 4.45Å; F1538-F1620 HydrophobicContact CE1-CE1 4.12Å; Y1539-F1620 AromaticContact CD2-CE1 3.98Å; Y1539-F1620 HydrophobicContact CD2-CE1 3.98Å; Y1539-F1620 HydrophobicContact CD2-CE2 4.3Å; Y1539-F1620 AromaticContact CD2-CZ 3.62Å; Y1539-F1620 HydrophobicContact CD2-CZ 3.62Å; Y1539-F1620 HydrophobicContact CE2-CE2 4.48Å; Y1539-F1620 HydrophobicContact CE2-CZ 4.22Å; Y1539-F1620 HydrophobicContact CG-CZ 4.32Å; R1588-F1620 VanDerWaalsContact CD-O 3.28Å; R1588-F1620 WeakPolarHBondContact CD-O 3.44Å; R1588-F1620 PolarHBondContact NH1-O 3.01Å; M1615-F1620 HydrophobicContact CG-CD2 3.91Å; M1615-F1620 HydrophobicContact CG-CE2 3.73Å; M1615-F1620 WeakPolarHBondContact O-CD2 3.16Å; M1615-F1620 PolarHBondContact O-N 2.78Å; M1615-F1620 HydrophobicContact SD-CE2 4.06Å; T1616-F1620 CarbonylContact O-C 3.59Å |
| 1621 | D | 82.9 | Confident | 87.7 | Confident | 112 Ų | 112 | 29.4 Ų | 29.4 | 60% | 0.599 | 15% | 0.154 | S | C | * | . | trans | 56.6 | 44.9 | -178.6 | -163.6 | 30.6 | 0 | 0 | 0 | 113.6 | T1616 S1617 P1623 | T1616-D1621 PolarHBondContact O-N 3.35Å; S1617-D1621 WeakPolarHBondContact O-CA 3.26Å; D1621-P1623 VanDerWaalsContact O-CD 3.27Å; D1621-P1623 WeakPolarHBondContact O-CD 3.44Å | ||
| 1622 | C | 85.8 | Confident | 87.6 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | -100 | 100.4 | 175.5 | -60.9 | 0 | 0 | 0 | 0 | 110.9 | A1590 T1616 V1624 | A1590-C1622 HydrophobicContact CB-CB 3.74Å; T1616-C1622 WeakPolarHBondContact O-CB 3.39Å; T1616-C1622 PolarHBondContact O-N 3.45Å; C1622-V1624 PolarHBondContact O-N 3.49Å | ||
| 1623 | P | 83.1 | Confident | 87.3 | Confident | 32 Ų | 32 | 31.1 Ų | 31.1 | 21% | 0.208 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -73.1 | -14.6 | -178.9 | 30.1 | -37.6 | 0 | 0 | 0 | 114.3 | D1621 L1643 T1647 | D1621-P1623 VanDerWaalsContact O-CD 3.27Å; D1621-P1623 WeakPolarHBondContact O-CD 3.44Å; P1623-L1643 HydrophobicContact CB-CD1 4.19Å; P1623-L1643 PolarHBondContact O-N 3.2Å; P1623-T1647 HydrophobicContact CB-CG2 3.96Å; P1623-T1647 WeakPolarHBondContact O-CG2 3.08Å |
| 1624 | V | 88.6 | Confident | 87.1 | Confident | 7 Ų | 7 | 33 Ų | 33 | 4% | 0.042 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 132.8 | 171.8 | -178.7 | 0 | 0 | 0 | 0 | 108.7 | V1589 A1590 C1622 I1640 M1641 R1642 T1647 L1675 | V1589-V1624 HydrophobicContact CG1-CB 4.34Å; V1589-V1624 HydrophobicContact CG1-CG1 4.3Å; A1590-V1624 PolarHBondContact N-O 3.13Å; A1590-V1624 VanDerWaalsContact N-O 3.08Å; C1622-V1624 PolarHBondContact O-N 3.49Å; V1624-I1640 HydrophobicContact CG1-CG2 3.91Å; V1624-M1641 WeakPolarHBondContact CA-O 3.2Å; V1624-R1642 HydrophobicContact CG1-CG 4.26Å; V1624-R1642 HydrophobicContact CG2-CG 4.21Å; V1624-T1647 HydrophobicContact CG2-CG2 3.65Å; V1624-L1675 HydrophobicContact CB-CD1 4.27Å; V1624-L1675 HydrophobicContact CG1-CD1 3.91Å; V1624-L1675 HydrophobicContact CG2-CD1 4.23Å; V1624-L1675 HydrophobicContact CG2-CD2 4.43Å |
| 1625 | T | 90.9 | Very high | 87.3 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 125.5 | 174.1 | -55 | 0 | 0 | 0 | 0 | 110 | A1590 V1592 T1616 Y1627 M1641 | A1590-T1625 HydrophobicContact CB-CG2 3.97Å; A1590-T1625 CarbonylContact O-C 3.59Å; A1590-T1625 WeakPolarHBondContact O-CA 3.46Å; V1592-T1625 HydrophobicContact CB-CG2 4.47Å; V1592-T1625 HydrophobicContact CG2-CG2 3.6Å; T1616-T1625 WeakPolarHBondContact CB-OG1 3.35Å; T1616-T1625 HydrophobicContact CG2-CG2 4.04Å; T1616-T1625 PolarHBondContact OG1-OG1 3.08Å; T1625-Y1627 HydrophobicContact CG2-CD2 4.2Å; T1625-Y1627 HydrophobicContact CG2-CE1 4.02Å; T1625-Y1627 HydrophobicContact CG2-CE2 3.53Å; T1625-Y1627 VanDerWaalsContact CG2-CZ 3.4Å; T1625-Y1627 WeakPolarHBondContact CG2-OH 3.42Å; T1625-M1641 PolarHBondContact N-O 3.3Å; T1625-M1641 PolarHBondContact O-N 2.94Å |
| 1626 | I | 93.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 115.3 | 178.2 | -59.1 | 168.7 | 0 | 0 | 0 | 107.7 | V1589 A1590 V1591 V1592 I1628 V1638 G1639 I1640 L1653 V1668 V1672 | V1589-I1626 HydrophobicContact CG1-CD1 3.96Å; V1589-I1626 HydrophobicContact CG1-CG1 4.3Å; A1590-I1626 PolarHBondContact O-N 3.24Å; V1591-I1626 CarbonylContact C-O 3.39Å; V1591-I1626 VanDerWaalsContact CA-O 3.26Å; V1591-I1626 WeakPolarHBondContact CA-O 3.35Å; V1591-I1626 HydrophobicContact CG2-CB 4.06Å; V1591-I1626 HydrophobicContact CG2-CD1 4.35Å; V1591-I1626 HydrophobicContact CG2-CG2 4.5Å; V1592-I1626 PolarHBondContact N-O 2.76Å; I1626-I1628 HydrophobicContact CG2-CG1 4.16Å; I1626-V1638 HydrophobicContact CG2-CG1 3.82Å; I1626-G1639 CarbonylContact C-O 3.51Å; I1626-G1639 WeakPolarHBondContact CA-O 3.37Å; I1626-I1640 HydrophobicContact CG1-CG2 4.47Å; I1626-L1653 HydrophobicContact CD1-CD2 4.08Å; I1626-L1653 HydrophobicContact CG1-CD2 4.48Å; I1626-L1653 HydrophobicContact CG2-CD2 3.71Å; I1626-V1668 HydrophobicContact CD1-CG1 4.41Å; I1626-V1672 HydrophobicContact CD1-CG2 4.43Å |
| 1627 | Y | 94.1 | Very high | 87.7 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 0% | 0.004 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 129.3 | 176.7 | -65.5 | -84.6 | 0 | 0 | 0 | 109.4 | V1592 L1594 P1601 I1612 Q1613 T1625 V1638 G1639 M1641 | V1592-Y1627 HydrophobicContact CB-CD1 3.7Å; V1592-Y1627 HydrophobicContact CB-CE1 3.78Å; V1592-Y1627 HydrophobicContact CG1-CD1 3.96Å; V1592-Y1627 HydrophobicContact CG1-CE1 3.98Å; V1592-Y1627 HydrophobicContact CG2-CD1 4.33Å; V1592-Y1627 HydrophobicContact CG2-CE1 3.94Å; V1592-Y1627 WeakPolarHBondContact O-CA 3.4Å; L1594-Y1627 HydrophobicContact CD1-CD1 3.87Å; L1594-Y1627 HydrophobicContact CD1-CG 4.46Å; L1594-Y1627 HydrophobicContact CD2-CD1 4.43Å; L1594-Y1627 HydrophobicContact CG-CD1 4.23Å; P1601-Y1627 VanDerWaalsContact CD-CE1 3.46Å; P1601-Y1627 WeakPolarHBondContact CD-OH 3.34Å; P1601-Y1627 HydrophobicContact CG-CD2 4.46Å; P1601-Y1627 HydrophobicContact CG-CE1 4.18Å; P1601-Y1627 HydrophobicContact CG-CE2 3.6Å; P1601-Y1627 VanDerWaalsContact CG-CZ 3.45Å; P1601-Y1627 WeakPolarHBondContact CG-OH 3.33Å; I1612-Y1627 HydrophobicContact CG2-CE1 3.98Å; Q1613-Y1627 PolarHBondContact OE1-OH 3.39Å; T1625-Y1627 HydrophobicContact CG2-CD2 4.2Å; T1625-Y1627 HydrophobicContact CG2-CE1 4.02Å; T1625-Y1627 HydrophobicContact CG2-CE2 3.53Å; T1625-Y1627 VanDerWaalsContact CG2-CZ 3.4Å; T1625-Y1627 WeakPolarHBondContact CG2-OH 3.42Å; Y1627-V1638 CarbonylContact O-C 3.56Å; Y1627-V1638 VanDerWaalsContact O-CA 3.31Å; Y1627-V1638 WeakPolarHBondContact O-CA 3.46Å; Y1627-G1639 PolarHBondContact N-O 3.42Å; Y1627-G1639 PolarHBondContact O-N 3.3Å; Y1627-M1641 HydrophobicContact CE2-CB 4.17Å |
| 1628 | I | 95.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 134.1 | -179.9 | -56.4 | 178.5 | 0 | 0 | 0 | 108.5 | F1465 V1591 V1592 W1593 L1594 I1626 C1636 R1637 L1664 V1668 | F1465-I1628 HydrophobicContact CD2-CD1 4.46Å; F1465-I1628 HydrophobicContact CE1-CD1 4.29Å; F1465-I1628 HydrophobicContact CE2-CD1 3.85Å; F1465-I1628 HydrophobicContact CZ-CD1 3.76Å; V1591-I1628 HydrophobicContact CG1-CD1 3.54Å; V1591-I1628 HydrophobicContact CG1-CG1 4.12Å; V1592-I1628 PolarHBondContact O-N 2.95Å; W1593-I1628 WeakPolarHBondContact CA-O 3.19Å; W1593-I1628 HydrophobicContact CD2-CG2 4.43Å; W1593-I1628 HydrophobicContact CE3-CB 4.07Å; W1593-I1628 HydrophobicContact CE3-CG2 3.66Å; W1593-I1628 HydrophobicContact CH2-CG2 4.37Å; W1593-I1628 HydrophobicContact CZ3-CG2 3.63Å; L1594-I1628 PolarHBondContact N-O 3.05Å; I1626-I1628 HydrophobicContact CG2-CG1 4.16Å; I1628-C1636 HydrophobicContact CG2-CB 4.02Å; I1628-R1637 WeakPolarHBondContact CA-O 3.16Å; I1628-L1664 HydrophobicContact CD1-CD1 4.21Å; I1628-L1664 HydrophobicContact CD1-CD2 4.42Å; I1628-L1664 HydrophobicContact CG2-CD1 4.41Å; I1628-L1664 HydrophobicContact CG2-CD2 3.99Å; I1628-V1668 HydrophobicContact CD1-CG2 4.13Å |
| 1629 | H | 93.3 | Very high | 88.4 | Confident | 28 Ų | 28 | 23.7 Ų | 23.7 | 13% | 0.13 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 123.3 | 176 | 173.5 | 61.7 | 0 | 0 | 0 | 110.9 | L1594 E1595 W1597 C1636 R1637 | L1594-H1629 PolarHBondContact O-ND1 3.12Å; E1595-H1629 PolarHBondContact O-CE1 3.45Å; E1595-H1629 PolarHBondContact O-ND1 2.98Å; W1597-H1629 HydrophobicContact CB-CB 4.49Å; W1597-H1629 HydrophobicContact CE3-CB 3.66Å; W1597-H1629 HydrophobicContact CZ3-CB 4.36Å; H1629-C1636 CarbonylContact O-C 3.6Å; H1629-C1636 WeakPolarHBondContact O-CA 3.41Å; H1629-R1637 PolarHBondContact N-O 3.17Å; H1629-R1637 PolarHBondContact O-N 3.39Å |
| 1630 | P | 92.5 | Very high | 88.6 | Confident | 44 Ų | 44 | 20.8 Ų | 20.8 | 29% | 0.286 | 13% | 0.134 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 137.3 | 175.1 | 30.8 | -34.6 | 0 | 0 | 0 | 111.1 | W1593 | W1593-P1630 HydrophobicContact CZ2-CB 4.04Å; W1593-P1630 HydrophobicContact CZ2-CG 3.8Å |
| 1631 | L | 88.2 | Confident | 88.6 | Confident | 16 Ų | 16 | 21.4 Ų | 21.4 | 8% | 0.084 | 14% | 0.137 | C | C | . | . | trans | -102.8 | 155.8 | 178.5 | -50.9 | 178.1 | 0 | 0 | 0 | 110.2 | D809 S1633 G1634 L1635 R1637 V1658 | D809-L1631 HydrophobicContact CB-CB 4.42Å; D809-L1631 HydrophobicContact CB-CD2 4.04Å; L1631-S1633 PolarHBondContact O-N 3.31Å; L1631-G1634 PolarHBondContact O-N 2.91Å; L1631-L1635 WeakPolarHBondContact CB-O 3.46Å; L1631-L1635 HydrophobicContact CD1-CB 4.27Å; L1631-L1635 PolarHBondContact N-O 3.31Å; L1631-R1637 HydrophobicContact CD1-CB 4.19Å; L1631-R1637 HydrophobicContact CD2-CB 3.89Å; L1631-R1637 HydrophobicContact CG-CB 4.24Å; L1631-V1658 HydrophobicContact CD1-CG1 4.02Å | ||
| 1632 | S | 82.9 | Confident | 88.7 | Confident | 94 Ų | 94 | 16.8 Ų | 16.8 | 66% | 0.657 | 11% | 0.111 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -23.1 | 177 | 72.8 | 0 | 0 | 0 | 0 | 114.2 | D809 G1634 | D809-S1632 VanDerWaalsContact CG-N 3.29Å; D809-S1632 VanDerWaalsContact CG-OG 3.26Å; D809-S1632 WeakPolarHBondContact OD1-CB 3.32Å; D809-S1632 PolarHBondContact OD1-N 2.98Å; D809-S1632 VanDerWaalsContact OD1-N 3.11Å; D809-S1632 PolarHBondContact OD1-OG 3.13Å; D809-S1632 VanDerWaalsContact OD2-CB 3.26Å; D809-S1632 WeakPolarHBondContact OD2-CB 3.48Å; D809-S1632 PolarHBondContact OD2-N 3.06Å; D809-S1632 PolarHBondContact OD2-OG 3.37Å; S1632-G1634 PolarHBondContact O-N 3.17Å |
| 1633 | S | 78.9 | Confident | 88.2 | Confident | 21 Ų | 21 | 20 Ų | 20 | 15% | 0.147 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -8.5 | 175 | 58.8 | 0 | 0 | 0 | 0 | 114.9 | Q861 L1631 L1635 | Q861-S1633 PolarHBondContact NE2-O 3.2Å; L1631-S1633 PolarHBondContact O-N 3.31Å; S1633-L1635 VanDerWaalsContact C-N 3.31Å; S1633-L1635 WeakPolarHBondContact OG-CG 3.47Å |
| 1634 | G | 82.4 | Confident | 87.5 | Confident | 50 Ų | 50 | 26.9 Ų | 26.9 | 52% | 0.515 | 16% | 0.157 | S | C | . | . | S | Bend | trans | 81.2 | 8.8 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114 | L1631 S1632 | L1631-G1634 PolarHBondContact O-N 2.91Å; S1632-G1634 PolarHBondContact O-N 3.17Å |
| 1635 | L | 89.6 | Confident | 86.3 | Confident | 6 Ų | 6 | 30.7 Ų | 30.7 | 3% | 0.031 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 162.3 | 171.6 | -56.3 | 179 | 0 | 0 | 0 | 110.6 | C857 I858 P859 L1631 S1633 V1658 | C857-L1635 HydrophobicContact CB-CD2 4.3Å; C857-L1635 WeakPolarHBondContact O-CD2 3.46Å; I858-L1635 HydrophobicContact CG1-CD1 4.13Å; P859-L1635 HydrophobicContact CG-CD2 3.82Å; P859-L1635 HydrophobicContact CG-CG 4.25Å; L1631-L1635 WeakPolarHBondContact CB-O 3.46Å; L1631-L1635 HydrophobicContact CD1-CB 4.27Å; L1631-L1635 PolarHBondContact N-O 3.31Å; S1633-L1635 VanDerWaalsContact C-N 3.31Å; S1633-L1635 WeakPolarHBondContact OG-CG 3.47Å; L1635-V1658 HydrophobicContact CB-CG1 3.75Å; L1635-V1658 HydrophobicContact CD1-CG1 3.67Å; L1635-V1658 HydrophobicContact CG-CG1 4.32Å |
| 1636 | C | 92.6 | Very high | 84.9 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.007 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 125.4 | 171.3 | -74.7 | 0 | 0 | 0 | 0 | 110.7 | I1628 H1629 V1658 L1659 Q1661 L1664 | I1628-C1636 HydrophobicContact CG2-CB 4.02Å; H1629-C1636 CarbonylContact O-C 3.6Å; H1629-C1636 WeakPolarHBondContact O-CA 3.41Å; C1636-V1658 WeakPolarHBondContact O-CA 2.95Å; C1636-L1659 PolarHBondContact N-O 3.12Å; C1636-L1659 PolarHBondContact O-N 3.04Å; C1636-Q1661 PolarHBondContact SG-OE1 2.95Å; C1636-L1664 HydrophobicContact CB-CD1 4.26Å; C1636-L1664 HydrophobicContact CB-CD2 3.81Å |
| 1637 | R | 91.8 | Very high | 83.7 | Confident | 13 Ų | 13 | 41 Ų | 41 | 5% | 0.049 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 138.2 | 167.4 | 176 | 172.5 | 178.5 | 155.3 | -1.3 | 109.5 | D804 R807 W1597 I1628 H1629 L1631 | D804-R1637 IonicContact OD1-NH2 3.91Å; D804-R1637 IonicContact OD2-CZ 3.51Å; D804-R1637 IonicContact OD2-NH1 3.19Å; D804-R1637 PolarHBondContact OD2-NH1 2.94Å; D804-R1637 IonicContact OD2-NH2 2.67Å; D804-R1637 PolarHBondContact OD2-NH2 3.32Å; R807-R1637 WeakPolarHBondContact O-CD 3.35Å; R807-R1637 PolarHBondContact O-NH1 3.22Å; W1597-R1637 HydrophobicContact CD2-CG 4.48Å; W1597-R1637 VanDerWaalsContact CE2-CZ 3.44Å; W1597-R1637 HydrophobicContact CE3-CG 4.29Å; W1597-R1637 HydrophobicContact CH2-CG 3.99Å; W1597-R1637 HydrophobicContact CZ2-CG 4.22Å; W1597-R1637 HydrophobicContact CZ3-CG 4.02Å; I1628-R1637 WeakPolarHBondContact CA-O 3.16Å; H1629-R1637 PolarHBondContact N-O 3.17Å; H1629-R1637 PolarHBondContact O-N 3.39Å; L1631-R1637 HydrophobicContact CD1-CB 4.19Å; L1631-R1637 HydrophobicContact CD2-CB 3.89Å; L1631-R1637 HydrophobicContact CG-CB 4.24Å |
| 1638 | V | 92.1 | Very high | 83 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 138.9 | 179.3 | -177.4 | 0 | 0 | 0 | 0 | 111.6 | I1626 Y1627 I1640 L1653 G1656 S1657 L1664 | I1626-V1638 HydrophobicContact CG2-CG1 3.82Å; Y1627-V1638 CarbonylContact O-C 3.56Å; Y1627-V1638 VanDerWaalsContact O-CA 3.31Å; Y1627-V1638 WeakPolarHBondContact O-CA 3.46Å; V1638-I1640 HydrophobicContact CG1-CG1 4.37Å; V1638-L1653 HydrophobicContact CB-CD1 4.25Å; V1638-L1653 HydrophobicContact CG1-CD1 3.92Å; V1638-L1653 HydrophobicContact CG1-CD2 3.82Å; V1638-L1653 HydrophobicContact CG1-CG 3.88Å; V1638-L1653 HydrophobicContact CG2-CD1 4.15Å; V1638-G1656 WeakPolarHBondContact O-CA 3.4Å; V1638-G1656 PolarHBondContact O-N 3.47Å; V1638-S1657 PolarHBondContact N-O 2.87Å; V1638-L1664 HydrophobicContact CG2-CD1 3.83Å |
| 1639 | G | 89.1 | Confident | 82.3 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 150 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | I1626 Y1627 N1655 | I1626-G1639 CarbonylContact C-O 3.51Å; I1626-G1639 WeakPolarHBondContact CA-O 3.37Å; Y1627-G1639 PolarHBondContact N-O 3.42Å; Y1627-G1639 PolarHBondContact O-N 3.3Å; G1639-N1655 VanDerWaalsContact CA-OD1 3.27Å; G1639-N1655 WeakPolarHBondContact CA-OD1 3.36Å |
| 1640 | I | 88.5 | Confident | 82 | Confident | 5 Ų | 5 | 46.2 Ų | 46.2 | 3% | 0.026 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 120.7 | 177.8 | -49 | 175.7 | 0 | 0 | 0 | 108.5 | V1624 I1626 V1638 R1642 L1653 N1655 | V1624-I1640 HydrophobicContact CG1-CG2 3.91Å; I1626-I1640 HydrophobicContact CG1-CG2 4.47Å; V1638-I1640 HydrophobicContact CG1-CG1 4.37Å; I1640-R1642 HydrophobicContact CG2-CG 4.11Å; I1640-L1653 HydrophobicContact CD1-CB 4.19Å; I1640-L1653 HydrophobicContact CD1-CD2 4.38Å; I1640-L1653 HydrophobicContact CD1-CG 4.01Å; I1640-L1653 WeakPolarHBondContact CD1-O 3.23Å; I1640-N1655 PolarHBondContact N-OD1 3.01Å |
| 1641 | M | 84.7 | Confident | 81.6 | Confident | 20 Ų | 20 | 44.1 Ų | 44.1 | 10% | 0.099 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 138.2 | 169.1 | -157.1 | 160.8 | 66.4 | 0 | 0 | 111 | P1601 M1602 Q1613 V1624 T1625 Y1627 | P1601-M1641 HydrophobicContact CB-CE 3.59Å; P1601-M1641 HydrophobicContact CB-SD 4.18Å; P1601-M1641 HydrophobicContact CG-CE 3.34Å; P1601-M1641 HydrophobicContact CG-SD 4.05Å; M1602-M1641 HydrophobicContact CE-CB 3.79Å; M1602-M1641 HydrophobicContact CE-CG 3.73Å; M1602-M1641 HydrophobicContact CE-SD 3.29Å; M1602-M1641 WeakPolarHBondContact CE-SD 3.47Å; Q1613-M1641 HydrophobicContact CB-CE 3.81Å; Q1613-M1641 HydrophobicContact CG-CE 3.25Å; V1624-M1641 WeakPolarHBondContact CA-O 3.2Å; T1625-M1641 PolarHBondContact N-O 3.3Å; T1625-M1641 PolarHBondContact O-N 2.94Å; Y1627-M1641 HydrophobicContact CE2-CB 4.17Å |
| 1642 | R | 83.2 | Confident | 81.8 | Confident | 15 Ų | 15 | 43.4 Ų | 43.4 | 6% | 0.057 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 135.9 | -174.9 | -57.7 | -173 | 177.3 | 86.9 | -2 | 108.9 | Y692 V1624 I1640 T1647 | Y692-R1642 HydrophobicContact CE1-CB 4.04Å; Y692-R1642 HydrophobicContact CE1-CG 4.28Å; V1624-R1642 HydrophobicContact CG1-CG 4.26Å; V1624-R1642 HydrophobicContact CG2-CG 4.21Å; I1640-R1642 HydrophobicContact CG2-CG 4.11Å; R1642-T1647 HydrophobicContact CB-CG2 4.03Å; R1642-T1647 WeakPolarHBondContact CB-OG1 3.13Å |
| 1643 | L | 75.8 | Confident | 82.3 | Confident | 66 Ų | 66 | 38.9 Ų | 38.9 | 35% | 0.346 | 22% | 0.215 | S | C | . | . | trans | -70.9 | 127.8 | 174.7 | -76.6 | 172.4 | 0 | 0 | 0 | 111 | P1623 R1646 T1647 | P1623-L1643 HydrophobicContact CB-CD1 4.19Å; P1623-L1643 PolarHBondContact O-N 3.2Å; L1643-R1646 PolarHBondContact O-N 2.91Å; L1643-T1647 PolarHBondContact O-OG1 3.43Å | ||
| 1644 | Q | 68.7 | Low | 82.7 | Confident | 177 Ų | 177 | 38.2 Ų | 38.2 | 83% | 0.827 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | 140 | -179.9 | -68.1 | -173.6 | -4.4 | 0 | 0 | 112.1 | R1646 | Q1644-R1646 PolarHBondContact O-N 2.7Š|
| 1645 | G | 63.7 | Low | 82.8 | Confident | 87 Ų | 87 | 36.8 Ų | 36.8 | 90% | 0.897 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.7 | -7.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 1646 | R | 61.1 | Low | 82.3 | Confident | 186 Ų | 186 | 36.7 Ų | 36.7 | 70% | 0.702 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -123.8 | 4.4 | -175 | -71.1 | -172 | 171.8 | -176.5 | -1.3 | 115.8 | L1643 Q1644 | L1643-R1646 PolarHBondContact O-N 2.91Å; Q1644-R1646 PolarHBondContact O-N 2.7Å |
| 1647 | T | 69.4 | Low | 82.2 | Confident | 31 Ų | 31 | 36.8 Ų | 36.8 | 19% | 0.19 | 19% | 0.192 | C | C | . | . | trans | -129 | 143.8 | -170.9 | 56.3 | 0 | 0 | 0 | 0 | 112.9 | P1623 V1624 R1642 L1643 | P1623-T1647 HydrophobicContact CB-CG2 3.96Å; P1623-T1647 WeakPolarHBondContact O-CG2 3.08Å; V1624-T1647 HydrophobicContact CG2-CG2 3.65Å; R1642-T1647 HydrophobicContact CB-CG2 4.03Å; R1642-T1647 WeakPolarHBondContact CB-OG1 3.13Å; L1643-T1647 PolarHBondContact O-OG1 3.43Å | ||
| 1648 | F | 79.3 | Confident | 82.1 | Confident | 81 Ų | 81 | 36.2 Ų | 36.2 | 36% | 0.355 | 19% | 0.189 | S | C | . | . | trans | -91.8 | 153.8 | 170.8 | -59 | -80.9 | 0 | 0 | 0 | 110.9 | L1675 R1678 R1679 A1682 | F1648-L1675 WeakPolarHBondContact O-CD2 3.17Å; F1648-R1678 HydrophobicContact CB-CB 3.6Å; F1648-R1678 HydrophobicContact CB-CG 4.15Å; F1648-R1678 HydrophobicContact CD1-CB 4.36Å; F1648-R1678 HydrophobicContact CD2-CB 4.11Å; F1648-R1678 HydrophobicContact CG-CB 3.73Å; F1648-R1679 HydrophobicContact CD2-CB 4.18Å; F1648-R1679 HydrophobicContact CE2-CB 4.1Å; F1648-R1679 HydrophobicContact CE2-CG 4.17Å; F1648-A1682 HydrophobicContact CD1-CB 4.44Å; F1648-A1682 HydrophobicContact CE1-CB 3.44Å; F1648-A1682 VanDerWaalsContact CE1-CB 3.44Å; F1648-A1682 HydrophobicContact CE2-CB 3.99Å; F1648-A1682 HydrophobicContact CZ-CB 3.18Å | ||
| 1649 | E | 79.9 | Confident | 82.1 | Confident | 57 Ų | 57 | 36.3 Ų | 36.3 | 27% | 0.266 | 19% | 0.19 | S | C | . | . | trans | -84.1 | 133.4 | 158.7 | -66.5 | -170.8 | 126.7 | 0 | 0 | 109.4 | T691 Y692 | T691-E1649 WeakPolarHBondContact CB-OE1 3.5Å; T691-E1649 PolarHBondContact OG1-OE1 3.28Å; Y692-E1649 HydrophobicContact CE2-CG 4.31Å; Y692-E1649 WeakPolarHBondContact CE2-OE1 3.1Å; Y692-E1649 WeakPolarHBondContact OH-CG 3.3Å; Y692-E1649 PolarHBondContact OH-OE1 3.01Å | ||
| 1650 | A | 88 | Confident | 82.2 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.008 | 19% | 0.193 | C | C | . | . | trans | -149.5 | 144.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | N1674 L1675 R1678 | A1650-N1674 HydrophobicContact CB-CB 3.82Å; A1650-L1675 HydrophobicContact CB-CB 4.49Å; A1650-L1675 HydrophobicContact CB-CD2 3.88Å; A1650-L1675 HydrophobicContact CB-CG 3.99Å; A1650-R1678 HydrophobicContact CB-CG 3.98Å | ||
| 1651 | G | 84.4 | Confident | 82.1 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -95.4 | 179.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114 | Y969 E972 T1671 N1674 | Y969-G1651 VanDerWaalsContact CE2-CA 3.41Å; Y969-G1651 VanDerWaalsContact CE2-N 3.3Å; Y969-G1651 VanDerWaalsContact CZ-CA 3.48Å; Y969-G1651 VanDerWaalsContact OH-CA 3.28Å; Y969-G1651 WeakPolarHBondContact OH-CA 3.33Å; E972-G1651 PolarHBondContact OE2-N 3.08Å; G1651-T1671 WeakPolarHBondContact O-CA 3.38Å; G1651-N1674 PolarHBondContact O-ND2 3.2Å |
| 1652 | P | 92.6 | Very high | 82.2 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | S | Bend | cis | -91.7 | -9.6 | 6.2 | 36.1 | -40.3 | 0 | 0 | 0 | 115.8 | S912 L915 I973 Q1654 F1667 Q1670 T1671 | S912-P1652 WeakPolarHBondContact CB-O 3.5Å; S912-P1652 PolarHBondContact OG-O 3.07Å; L915-P1652 HydrophobicContact CD2-CB 3.68Å; L915-P1652 HydrophobicContact CD2-CG 3.94Å; I973-P1652 HydrophobicContact CD1-CB 3.71Å; P1652-Q1654 PolarHBondContact O-N 3.28Å; P1652-F1667 HydrophobicContact CB-CD1 3.87Å; P1652-F1667 HydrophobicContact CB-CE1 3.57Å; P1652-F1667 HydrophobicContact CB-CZ 3.98Å; P1652-F1667 HydrophobicContact CG-CB 4.3Å; P1652-F1667 HydrophobicContact CG-CD1 3.6Å; P1652-F1667 HydrophobicContact CG-CD2 4.24Å; P1652-F1667 HydrophobicContact CG-CE1 3.79Å; P1652-F1667 HydrophobicContact CG-CE2 4.38Å; P1652-F1667 HydrophobicContact CG-CG 3.82Å; P1652-F1667 HydrophobicContact CG-CZ 4.14Å; P1652-Q1670 HydrophobicContact CG-CB 4.2Å; P1652-T1671 WeakPolarHBondContact CD-OG1 3.18Å |
| 1653 | L | 92.3 | Very high | 82.6 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -75.1 | 129.1 | -172.3 | -165.8 | 64.4 | 0 | 0 | 0 | 111.3 | I1626 V1638 I1640 L1659 F1667 V1668 T1671 | I1626-L1653 HydrophobicContact CD1-CD2 4.08Å; I1626-L1653 HydrophobicContact CG1-CD2 4.48Å; I1626-L1653 HydrophobicContact CG2-CD2 3.71Å; V1638-L1653 HydrophobicContact CB-CD1 4.25Å; V1638-L1653 HydrophobicContact CG1-CD1 3.92Å; V1638-L1653 HydrophobicContact CG1-CD2 3.82Å; V1638-L1653 HydrophobicContact CG1-CG 3.88Å; V1638-L1653 HydrophobicContact CG2-CD1 4.15Å; I1640-L1653 HydrophobicContact CD1-CB 4.19Å; I1640-L1653 HydrophobicContact CD1-CD2 4.38Å; I1640-L1653 HydrophobicContact CD1-CG 4.01Å; I1640-L1653 WeakPolarHBondContact CD1-O 3.23Å; L1653-L1659 HydrophobicContact CD1-CD1 3.49Å; L1653-L1659 VanDerWaalsContact CD1-CD1 3.49Å; L1653-F1667 HydrophobicContact CD1-CB 4.12Å; L1653-F1667 HydrophobicContact CD1-CD1 4.17Å; L1653-V1668 HydrophobicContact CD2-CG2 3.84Å; L1653-T1671 HydrophobicContact CB-CG2 4.05Å; L1653-T1671 WeakPolarHBondContact CB-OG1 3.43Å; L1653-T1671 PolarHBondContact N-OG1 3.21Å | ||
| 1654 | Q | 88.2 | Confident | 83.5 | Confident | 6 Ų | 6 | 36.8 Ų | 36.8 | 3% | 0.028 | 19% | 0.189 | C | C | . | . | trans | -116.3 | 156.7 | -176.2 | -72.4 | -67.6 | -9.4 | 0 | 0 | 111.6 | M853 L909 Y969 P1652 G1656 S1657 | M853-Q1654 HydrophobicContact CE-CB 3.97Å; M853-Q1654 HydrophobicContact CE-CG 4.19Å; M853-Q1654 HydrophobicContact SD-CB 3.87Å; L909-Q1654 HydrophobicContact CD2-CB 4.38Å; L909-Q1654 HydrophobicContact CD2-CG 4.05Å; Y969-Q1654 PolarHBondContact OH-NE2 3.17Å; P1652-Q1654 PolarHBondContact O-N 3.28Å; Q1654-G1656 PolarHBondContact O-N 3.44Å; Q1654-S1657 PolarHBondContact N-OG 3.31Å; Q1654-S1657 PolarHBondContact O-N 2.84Å; Q1654-S1657 VanDerWaalsContact O-N 3.14Å; Q1654-S1657 PolarHBondContact O-OG 2.9Å; Q1654-S1657 VanDerWaalsContact O-OG 3.05Å | ||
| 1655 | N | 83.5 | Confident | 84.7 | Confident | 21 Ų | 21 | 28.6 Ų | 28.6 | 11% | 0.112 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | 126.5 | 178.5 | -166.5 | 33.6 | 0 | 0 | 0 | 109.7 | T691 G1639 I1640 | T691-N1655 WeakPolarHBondContact O-CB 3.29Å; T691-N1655 PolarHBondContact O-ND2 3.12Å; G1639-N1655 VanDerWaalsContact CA-OD1 3.27Å; G1639-N1655 WeakPolarHBondContact CA-OD1 3.36Å; I1640-N1655 PolarHBondContact N-OD1 3.01Å |
| 1656 | G | 80.3 | Confident | 86.1 | Confident | 4 Ų | 4 | 25.1 Ų | 25.1 | 4% | 0.041 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.6 | 13.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115 | R807 V1638 Q1654 | R807-G1656 WeakPolarHBondContact CD-O 3.19Å; R807-G1656 PolarHBondContact NE-O 3.11Å; R807-G1656 PolarHBondContact NH2-O 3.19Å; V1638-G1656 WeakPolarHBondContact O-CA 3.4Å; V1638-G1656 PolarHBondContact O-N 3.47Å; Q1654-G1656 PolarHBondContact O-N 3.44Å |
| 1657 | S | 89 | Confident | 87.7 | Confident | 3 Ų | 3 | 16.3 Ų | 16.3 | 2% | 0.021 | 8% | 0.08 | C | C | . | . | trans | -59 | 141.2 | 168.1 | -64 | 0 | 0 | 0 | 0 | 111 | M853 V1638 Q1654 | M853-S1657 PolarHBondContact SD-OG 3.25Å; V1638-S1657 PolarHBondContact N-O 2.87Å; Q1654-S1657 PolarHBondContact N-OG 3.31Å; Q1654-S1657 PolarHBondContact O-N 2.84Å; Q1654-S1657 VanDerWaalsContact O-N 3.14Å; Q1654-S1657 PolarHBondContact O-OG 2.9Å; Q1654-S1657 VanDerWaalsContact O-OG 3.05Å | ||
| 1658 | V | 90.5 | Very high | 89 | Confident | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 112.4 | 167.9 | -178.5 | 0 | 0 | 0 | 0 | 107 | R807 L1631 L1635 C1636 | R807-V1658 HydrophobicContact CB-CG2 3.93Å; R807-V1658 HydrophobicContact CG-CG2 3.69Å; L1631-V1658 HydrophobicContact CD1-CG1 4.02Å; L1635-V1658 HydrophobicContact CB-CG1 3.75Å; L1635-V1658 HydrophobicContact CD1-CG1 3.67Å; L1635-V1658 HydrophobicContact CG-CG1 4.32Å; C1636-V1658 WeakPolarHBondContact O-CA 2.95Å |
| 1659 | L | 92.9 | Very high | 89.7 | Confident | 3 Ų | 3 | 12.7 Ų | 12.7 | 2% | 0.016 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 149.2 | -172.3 | -62.8 | 179.8 | 0 | 0 | 0 | 111.1 | A916 C1636 L1653 L1664 F1667 | A916-L1659 HydrophobicContact CB-CD2 4.17Å; C1636-L1659 PolarHBondContact N-O 3.12Å; C1636-L1659 PolarHBondContact O-N 3.04Å; L1653-L1659 HydrophobicContact CD1-CD1 3.49Å; L1653-L1659 VanDerWaalsContact CD1-CD1 3.49Å; L1659-L1664 HydrophobicContact CB-CD1 4.45Å; L1659-L1664 HydrophobicContact CD1-CD1 4.23Å; L1659-F1667 HydrophobicContact CD1-CB 3.64Å; L1659-F1667 HydrophobicContact CD1-CD1 3.72Å; L1659-F1667 HydrophobicContact CD1-CG 3.69Å; L1659-F1667 HydrophobicContact CD2-CD1 4.21Å; L1659-F1667 HydrophobicContact CD2-CE1 4.32Å |
| 1660 | S | 90.1 | Very high | 90.3 | Very high | 8 Ų | 8 | 10.8 Ų | 10.8 | 6% | 0.056 | 5% | 0.051 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 151.6 | 168.7 | 58.2 | 0 | 0 | 0 | 0 | 109.6 | C857 D920 R1662 C1663 L1664 | C857-S1660 VanDerWaalsContact CB-N 3.28Å; C857-S1660 PolarHBondContact SG-N 2.75Å; D920-S1660 VanDerWaalsContact OD1-CB 3.31Å; D920-S1660 WeakPolarHBondContact OD1-CB 3.28Å; D920-S1660 PolarHBondContact OD1-OG 2.68Å; S1660-R1662 PolarHBondContact O-N 3.15Å; S1660-R1662 VanDerWaalsContact OG-CG 3.28Å; S1660-R1662 WeakPolarHBondContact OG-CG 3.41Å; S1660-C1663 PolarHBondContact O-N 3.46Å; S1660-C1663 PolarHBondContact OG-SG 2.88Å; S1660-C1663 VanDerWaalsContact OG-SG 3.42Å; S1660-L1664 PolarHBondContact O-N 3.07Å |
| 1661 | Q | 87.5 | Confident | 90.6 | Very high | 36 Ų | 36 | 10.8 Ų | 10.8 | 17% | 0.168 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -53.8 | -29.2 | 180 | -171.5 | 63.5 | 17.2 | 0 | 0 | 113.1 | A1461 Q1464 F1465 C1636 | A1461-Q1661 PolarHBondContact O-NE2 3.28Å; Q1464-Q1661 HydrophobicContact CB-CG 4.39Å; F1465-Q1661 VanDerWaalsContact N-NE2 3.16Å; C1636-Q1661 PolarHBondContact SG-OE1 2.95Å |
| 1662 | R | 86.4 | Confident | 90.9 | Very high | 70 Ų | 70 | 10.8 Ų | 10.8 | 26% | 0.264 | 5% | 0.051 | S | C | . | . | H | α-helix | trans | -74.1 | -30.7 | 178.9 | 60 | -163.9 | -175.4 | 179.6 | -0.5 | 114.5 | D920 A923 D924 S1660 | D920-R1662 VanDerWaalsContact O-CZ 3.26Å; D920-R1662 PolarHBondContact O-NE 3.48Å; D920-R1662 PolarHBondContact O-NH2 3.22Å; D920-R1662 VanDerWaalsContact O-NH2 3.1Å; D920-R1662 IonicContact OD1-CZ 3.47Å; D920-R1662 IonicContact OD1-NE 2.82Å; D920-R1662 PolarHBondContact OD1-NE 3.07Å; D920-R1662 IonicContact OD1-NH2 2.81Å; D920-R1662 PolarHBondContact OD1-NH2 2.78Å; D920-R1662 VanDerWaalsContact OD1-NH2 3.1Å; D920-R1662 IonicContact OD2-CZ 3.65Å; D920-R1662 IonicContact OD2-NE 2.81Å; D920-R1662 IonicContact OD2-NH2 3.79Å; D920-R1662 PolarHBondContact OD2-NH2 2.79Å; A923-R1662 HydrophobicContact CB-CB 3.93Å; A923-R1662 HydrophobicContact CB-CG 3.74Å; D924-R1662 VanDerWaalsContact CA-NH1 3.32Å; D924-R1662 IonicContact OD1-CZ 3.69Å; D924-R1662 IonicContact OD1-NH1 2.76Å; D924-R1662 PolarHBondContact OD1-NH1 3.39Å; D924-R1662 IonicContact OD1-NH2 3.95Å; D924-R1662 PolarHBondContact OD1-NH2 3.28Å; S1660-R1662 PolarHBondContact O-N 3.15Å; S1660-R1662 VanDerWaalsContact OG-CG 3.28Å; S1660-R1662 WeakPolarHBondContact OG-CG 3.41Å |
| 1663 | C | 90.7 | Very high | 90.8 | Very high | 1 Ų | 1 | 11 Ų | 11 | 1% | 0.007 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -93.8 | -30 | 178.5 | -59.1 | 0 | 0 | 0 | 0 | 113 | D920 S1660 S1665 S1666 F1667 | D920-C1663 VanDerWaalsContact CA-SG 3.51Å; D920-C1663 PolarHBondContact N-SG 3.38Å; D920-C1663 VanDerWaalsContact N-SG 3.4Å; S1660-C1663 PolarHBondContact O-N 3.46Å; S1660-C1663 PolarHBondContact OG-SG 2.88Å; S1660-C1663 VanDerWaalsContact OG-SG 3.42Å; C1663-S1665 VanDerWaalsContact C-N 3.33Å; C1663-S1665 PolarHBondContact O-N 2.65Å; C1663-S1665 VanDerWaalsContact O-N 3.17Å; C1663-S1666 WeakPolarHBondContact O-CB 3.09Å; C1663-S1666 PolarHBondContact O-N 3.11Å; C1663-F1667 HydrophobicContact CB-CD2 4.38Å; C1663-F1667 PolarHBondContact O-N 2.77Å |
| 1664 | L | 94.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -46.9 | -50.8 | -171.7 | 179.3 | 65.3 | 0 | 0 | 0 | 113.5 | F1465 W1593 I1628 C1636 V1638 L1659 S1660 F1667 V1668 | F1465-L1664 HydrophobicContact CB-CD2 4.4Å; F1465-L1664 HydrophobicContact CD2-CD2 3.61Å; F1465-L1664 HydrophobicContact CD2-CG 3.8Å; F1465-L1664 HydrophobicContact CE2-CD2 4.27Å; F1465-L1664 HydrophobicContact CE2-CG 4.11Å; F1465-L1664 HydrophobicContact CG-CD2 4.24Å; W1593-L1664 HydrophobicContact CZ3-CD2 4.17Å; I1628-L1664 HydrophobicContact CD1-CD1 4.21Å; I1628-L1664 HydrophobicContact CD1-CD2 4.42Å; I1628-L1664 HydrophobicContact CG2-CD1 4.41Å; I1628-L1664 HydrophobicContact CG2-CD2 3.99Å; C1636-L1664 HydrophobicContact CB-CD1 4.26Å; C1636-L1664 HydrophobicContact CB-CD2 3.81Å; V1638-L1664 HydrophobicContact CG2-CD1 3.83Å; L1659-L1664 HydrophobicContact CB-CD1 4.45Å; L1659-L1664 HydrophobicContact CD1-CD1 4.23Å; S1660-L1664 PolarHBondContact O-N 3.07Å; L1664-F1667 PolarHBondContact O-N 2.92Å; L1664-V1668 HydrophobicContact CD1-CG2 4.29Å; L1664-V1668 WeakPolarHBondContact O-CG2 3.47Å; L1664-V1668 PolarHBondContact O-N 3.06Å |
| 1665 | S | 94.6 | Very high | 90.9 | Very high | 5 Ų | 5 | 11.7 Ų | 11.7 | 4% | 0.035 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -70.2 | -32.7 | -176.1 | -45.4 | 0 | 0 | 0 | 0 | 113.2 | F1465 G1468 C1663 R1669 | F1465-S1665 WeakPolarHBondContact CD2-OG 3.44Å; F1465-S1665 PolarHBondContact O-OG 3.27Å; G1468-S1665 VanDerWaalsContact O-CB 3.31Å; G1468-S1665 WeakPolarHBondContact O-CB 3.34Å; C1663-S1665 VanDerWaalsContact C-N 3.33Å; C1663-S1665 PolarHBondContact O-N 2.65Å; C1663-S1665 VanDerWaalsContact O-N 3.17Å; S1665-R1669 WeakPolarHBondContact O-CB 3.46Å; S1665-R1669 PolarHBondContact O-N 2.78Å |
| 1666 | S | 92.6 | Very high | 91 | Very high | 15 Ų | 15 | 10.8 Ų | 10.8 | 11% | 0.105 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -64.8 | -49.3 | 173.6 | -169.6 | 0 | 0 | 0 | 0 | 110.4 | E919 C1663 V1668 R1669 Q1670 | E919-S1666 WeakPolarHBondContact OE1-CB 3.38Å; E919-S1666 PolarHBondContact OE1-OG 3.48Å; E919-S1666 VanDerWaalsContact OE2-CB 3.3Å; E919-S1666 WeakPolarHBondContact OE2-CB 3.43Å; C1663-S1666 WeakPolarHBondContact O-CB 3.09Å; C1663-S1666 PolarHBondContact O-N 3.11Å; S1666-V1668 PolarHBondContact O-N 3.41Å; S1666-R1669 PolarHBondContact O-N 3.19Å; S1666-Q1670 WeakPolarHBondContact O-CB 3.22Å; S1666-Q1670 WeakPolarHBondContact O-CG 3.42Å; S1666-Q1670 PolarHBondContact O-N 3.02Å; S1666-Q1670 PolarHBondContact OG-NE2 2.66Å |
| 1667 | F | 95.6 | Very high | 91.4 | Very high | 1 Ų | 1 | 11.7 Ų | 11.7 | 0% | 0.004 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -59.4 | -46.1 | 178.5 | -93.9 | -115.4 | 0 | 0 | 0 | 113 | L915 A916 E919 P1652 L1653 L1659 C1663 L1664 T1671 | L915-F1667 HydrophobicContact CB-CZ 4.11Å; L915-F1667 HydrophobicContact CD2-CE2 4.27Å; L915-F1667 HydrophobicContact CD2-CZ 4.15Å; L915-F1667 HydrophobicContact CG-CE2 4.08Å; L915-F1667 HydrophobicContact CG-CZ 4Å; A916-F1667 VanDerWaalsContact CA-CZ 3.47Å; A916-F1667 HydrophobicContact CB-CE1 4.11Å; A916-F1667 HydrophobicContact CB-CE2 4.26Å; A916-F1667 HydrophobicContact CB-CZ 3.59Å; E919-F1667 VanDerWaalsContact OE2-CD2 3.3Å; E919-F1667 WeakPolarHBondContact OE2-CD2 3.46Å; E919-F1667 WeakPolarHBondContact OE2-CE2 3.2Å; P1652-F1667 HydrophobicContact CB-CD1 3.87Å; P1652-F1667 HydrophobicContact CB-CE1 3.57Å; P1652-F1667 HydrophobicContact CB-CZ 3.98Å; P1652-F1667 HydrophobicContact CG-CB 4.3Å; P1652-F1667 HydrophobicContact CG-CD1 3.6Å; P1652-F1667 HydrophobicContact CG-CD2 4.24Å; P1652-F1667 HydrophobicContact CG-CE1 3.79Å; P1652-F1667 HydrophobicContact CG-CE2 4.38Å; P1652-F1667 HydrophobicContact CG-CG 3.82Å; P1652-F1667 HydrophobicContact CG-CZ 4.14Å; L1653-F1667 HydrophobicContact CD1-CB 4.12Å; L1653-F1667 HydrophobicContact CD1-CD1 4.17Å; L1659-F1667 HydrophobicContact CD1-CB 3.64Å; L1659-F1667 HydrophobicContact CD1-CD1 3.72Å; L1659-F1667 HydrophobicContact CD1-CG 3.69Å; L1659-F1667 HydrophobicContact CD2-CD1 4.21Å; L1659-F1667 HydrophobicContact CD2-CE1 4.32Å; C1663-F1667 HydrophobicContact CB-CD2 4.38Å; C1663-F1667 PolarHBondContact O-N 2.77Å; L1664-F1667 PolarHBondContact O-N 2.92Å; F1667-T1671 VanDerWaalsContact O-CB 3.31Å; F1667-T1671 WeakPolarHBondContact O-CB 3.44Å; F1667-T1671 PolarHBondContact O-N 2.89Å; F1667-T1671 PolarHBondContact O-OG1 3.36Å |
| 1668 | V | 95.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -62.5 | -49.4 | 175.9 | 170.6 | 0 | 0 | 0 | 0 | 110.5 | L1433 F1465 I1469 V1591 I1626 I1628 L1653 L1664 S1666 T1671 V1672 | L1433-V1668 HydrophobicContact CD2-CG1 4.32Å; F1465-V1668 HydrophobicContact CE2-CB 4.25Å; F1465-V1668 HydrophobicContact CE2-CG1 4.39Å; F1465-V1668 HydrophobicContact CE2-CG2 4.05Å; F1465-V1668 HydrophobicContact CZ-CG1 4.27Å; F1465-V1668 HydrophobicContact CZ-CG2 4.5Å; I1469-V1668 HydrophobicContact CD1-CB 4.14Å; I1469-V1668 HydrophobicContact CD1-CG1 3.95Å; V1591-V1668 HydrophobicContact CG2-CG1 3.85Å; I1626-V1668 HydrophobicContact CD1-CG1 4.41Å; I1628-V1668 HydrophobicContact CD1-CG2 4.13Å; L1653-V1668 HydrophobicContact CD2-CG2 3.84Å; L1664-V1668 HydrophobicContact CD1-CG2 4.29Å; L1664-V1668 WeakPolarHBondContact O-CG2 3.47Å; L1664-V1668 PolarHBondContact O-N 3.06Å; S1666-V1668 PolarHBondContact O-N 3.41Å; V1668-T1671 PolarHBondContact O-N 2.89Å; V1668-V1672 HydrophobicContact CG1-CG2 4.37Å; V1668-V1672 VanDerWaalsContact O-CG2 3.28Å; V1668-V1672 WeakPolarHBondContact O-CG2 3.3Å; V1668-V1672 PolarHBondContact O-N 3.49Å |
| 1669 | R | 93.3 | Very high | 91 | Very high | 35 Ų | 35 | 16.9 Ų | 16.9 | 13% | 0.132 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -58.6 | -51.3 | 179.8 | 174 | 173.6 | 61.5 | -117.1 | -7.8 | 112.5 | G1468 I1469 Y1522 L1529 S1665 S1666 T1671 V1672 I1673 | G1468-R1669 PolarHBondContact O-NH1 2.83Å; I1469-R1669 HydrophobicContact CD1-CB 4.45Å; I1469-R1669 PolarHBondContact O-NH1 3.21Å; Y1522-R1669 HydrophobicContact CD1-CG 4.34Å; Y1522-R1669 HydrophobicContact CE1-CG 4.4Å; L1529-R1669 HydrophobicContact CD2-CB 4.43Å; L1529-R1669 HydrophobicContact CD2-CG 3.86Å; S1665-R1669 WeakPolarHBondContact O-CB 3.46Å; S1665-R1669 PolarHBondContact O-N 2.78Å; S1666-R1669 PolarHBondContact O-N 3.19Å; R1669-T1671 VanDerWaalsContact C-N 3.31Å; R1669-T1671 PolarHBondContact O-N 2.96Å; R1669-V1672 PolarHBondContact O-N 3.45Å; R1669-I1673 HydrophobicContact CG-CD1 3.86Å; R1669-I1673 WeakPolarHBondContact O-CG1 3.48Å; R1669-I1673 PolarHBondContact O-N 3.43Å |
| 1670 | Q | 92.7 | Very high | 90.7 | Very high | 17 Ų | 17 | 17.7 Ų | 17.7 | 8% | 0.079 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -59.6 | -43.1 | 177.8 | -73.6 | 179.1 | 16.8 | 0 | 0 | 111 | E919 S979 P1652 S1666 V1672 I1673 N1674 | E919-Q1670 PolarHBondContact OE1-NE2 2.98Å; S979-Q1670 PolarHBondContact OG-NE2 2.79Å; P1652-Q1670 HydrophobicContact CG-CB 4.2Å; S1666-Q1670 WeakPolarHBondContact O-CB 3.22Å; S1666-Q1670 WeakPolarHBondContact O-CG 3.42Å; S1666-Q1670 PolarHBondContact O-N 3.02Å; S1666-Q1670 PolarHBondContact OG-NE2 2.66Å; Q1670-V1672 PolarHBondContact O-N 3.39Å; Q1670-I1673 PolarHBondContact O-N 3.46Å; Q1670-N1674 VanDerWaalsContact O-CB 3.25Å; Q1670-N1674 WeakPolarHBondContact O-CB 3.32Å; Q1670-N1674 PolarHBondContact O-N 3.35Å; Q1670-N1674 PolarHBondContact O-ND2 3.42Å; Q1670-N1674 VanDerWaalsContact O-ND2 3.16Å |
| 1671 | T | 94.2 | Very high | 90.6 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.006 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63.3 | -43.4 | 179.4 | -54.3 | 0 | 0 | 0 | 0 | 112.3 | G1651 P1652 L1653 F1667 V1668 R1669 N1674 L1675 | G1651-T1671 WeakPolarHBondContact O-CA 3.38Å; P1652-T1671 WeakPolarHBondContact CD-OG1 3.18Å; L1653-T1671 HydrophobicContact CB-CG2 4.05Å; L1653-T1671 WeakPolarHBondContact CB-OG1 3.43Å; L1653-T1671 PolarHBondContact N-OG1 3.21Å; F1667-T1671 VanDerWaalsContact O-CB 3.31Å; F1667-T1671 WeakPolarHBondContact O-CB 3.44Å; F1667-T1671 PolarHBondContact O-N 2.89Å; F1667-T1671 PolarHBondContact O-OG1 3.36Å; V1668-T1671 PolarHBondContact O-N 2.89Å; R1669-T1671 VanDerWaalsContact C-N 3.31Å; R1669-T1671 PolarHBondContact O-N 2.96Å; T1671-N1674 PolarHBondContact O-N 3.34Å; T1671-L1675 HydrophobicContact CG2-CD1 4.06Å; T1671-L1675 HydrophobicContact CG2-CG 4.29Å; T1671-L1675 WeakPolarHBondContact O-CB 3.36Å; T1671-L1675 WeakPolarHBondContact O-CG 3.36Å; T1671-L1675 PolarHBondContact O-N 3.23Å |
| 1672 | V | 92 | Very high | 90.4 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -60.6 | -48.8 | 176.5 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | L1433 L1529 V1589 I1626 V1668 R1669 Q1670 N1674 L1675 S1676 | L1433-V1672 HydrophobicContact CD1-CG2 3.78Å; L1529-V1672 HydrophobicContact CD1-CG1 3.89Å; V1589-V1672 HydrophobicContact CB-CG1 4.27Å; V1589-V1672 HydrophobicContact CB-CG2 4.02Å; V1589-V1672 HydrophobicContact CG1-CG2 3.98Å; V1589-V1672 HydrophobicContact CG2-CG1 4.12Å; V1589-V1672 HydrophobicContact CG2-CG2 4.32Å; I1626-V1672 HydrophobicContact CD1-CG2 4.43Å; V1668-V1672 HydrophobicContact CG1-CG2 4.37Å; V1668-V1672 VanDerWaalsContact O-CG2 3.28Å; V1668-V1672 WeakPolarHBondContact O-CG2 3.3Å; V1668-V1672 PolarHBondContact O-N 3.49Å; R1669-V1672 PolarHBondContact O-N 3.45Å; Q1670-V1672 PolarHBondContact O-N 3.39Å; V1672-N1674 VanDerWaalsContact C-N 3.34Å; V1672-N1674 PolarHBondContact O-N 3.42Å; V1672-L1675 PolarHBondContact O-N 2.94Å; V1672-S1676 PolarHBondContact O-N 2.86Å; V1672-S1676 VanDerWaalsContact O-N 3.14Å |
| 1673 | I | 89.8 | Confident | 90.3 | Very high | 6 Ų | 6 | 16.4 Ų | 16.4 | 3% | 0.031 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -60.7 | -43.9 | 178 | -70.5 | 171.7 | 0 | 0 | 0 | 110.9 | Y1522 T1527 R1669 Q1670 S1676 R1677 | Y1522-I1673 HydrophobicContact CD1-CD1 4.44Å; Y1522-I1673 HydrophobicContact CE1-CD1 4.12Å; T1527-I1673 HydrophobicContact CG2-CG1 4.08Å; T1527-I1673 HydrophobicContact CG2-CG2 4.15Å; R1669-I1673 HydrophobicContact CG-CD1 3.86Å; R1669-I1673 WeakPolarHBondContact O-CG1 3.48Å; R1669-I1673 PolarHBondContact O-N 3.43Å; Q1670-I1673 PolarHBondContact O-N 3.46Å; I1673-S1676 PolarHBondContact O-N 2.93Å; I1673-R1677 HydrophobicContact CG2-CG 4.4Å; I1673-R1677 VanDerWaalsContact CG2-NE 3.35Å; I1673-R1677 WeakPolarHBondContact O-CB 3.4Å; I1673-R1677 VanDerWaalsContact O-CG 3.28Å; I1673-R1677 WeakPolarHBondContact O-CG 3.32Å; I1673-R1677 PolarHBondContact O-N 2.6Å |
| 1674 | N | 92.3 | Very high | 89.5 | Confident | 6 Ų | 6 | 22 Ų | 22 | 3% | 0.032 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -70.8 | -39.8 | -178.3 | -68.3 | -23.9 | 0 | 0 | 0 | 112.3 | E972 A1650 G1651 Q1670 T1671 V1672 S1676 R1677 R1678 | E972-N1674 HydrophobicContact CG-CB 4.04Å; A1650-N1674 HydrophobicContact CB-CB 3.82Å; G1651-N1674 PolarHBondContact O-ND2 3.2Å; Q1670-N1674 VanDerWaalsContact O-CB 3.25Å; Q1670-N1674 WeakPolarHBondContact O-CB 3.32Å; Q1670-N1674 PolarHBondContact O-N 3.35Å; Q1670-N1674 PolarHBondContact O-ND2 3.42Å; Q1670-N1674 VanDerWaalsContact O-ND2 3.16Å; T1671-N1674 PolarHBondContact O-N 3.34Å; V1672-N1674 VanDerWaalsContact C-N 3.34Å; V1672-N1674 PolarHBondContact O-N 3.42Å; N1674-S1676 VanDerWaalsContact C-N 3.33Å; N1674-S1676 PolarHBondContact O-N 2.87Å; N1674-R1677 PolarHBondContact O-N 3.49Å; N1674-R1678 WeakPolarHBondContact O-CG 3.2Å; N1674-R1678 PolarHBondContact O-N 3.31Å |
| 1675 | L | 89.7 | Confident | 88.8 | Confident | 13 Ų | 13 | 25.2 Ų | 25.2 | 7% | 0.068 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -55.9 | -47.3 | 171.6 | -76.8 | 169.4 | 0 | 0 | 0 | 111.4 | V1589 V1624 F1648 A1650 T1671 V1672 R1678 R1679 | V1589-L1675 HydrophobicContact CG2-CD1 4.13Å; V1624-L1675 HydrophobicContact CB-CD1 4.27Å; V1624-L1675 HydrophobicContact CG1-CD1 3.91Å; V1624-L1675 HydrophobicContact CG2-CD1 4.23Å; V1624-L1675 HydrophobicContact CG2-CD2 4.43Å; F1648-L1675 WeakPolarHBondContact O-CD2 3.17Å; A1650-L1675 HydrophobicContact CB-CB 4.49Å; A1650-L1675 HydrophobicContact CB-CD2 3.88Å; A1650-L1675 HydrophobicContact CB-CG 3.99Å; T1671-L1675 HydrophobicContact CG2-CD1 4.06Å; T1671-L1675 HydrophobicContact CG2-CG 4.29Å; T1671-L1675 WeakPolarHBondContact O-CB 3.36Å; T1671-L1675 WeakPolarHBondContact O-CG 3.36Å; T1671-L1675 PolarHBondContact O-N 3.23Å; V1672-L1675 PolarHBondContact O-N 2.94Å; L1675-R1678 PolarHBondContact O-N 3.3Å; L1675-R1679 PolarHBondContact O-N 2.91Å |
| 1676 | S | 87 | Confident | 88.3 | Confident | 3 Ų | 3 | 26.1 Ų | 26.1 | 2% | 0.021 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.5 | -38.5 | 176.1 | -82.1 | 0 | 0 | 0 | 0 | 113 | D1431 G1587 V1672 I1673 N1674 R1679 R1680 | D1431-S1676 VanDerWaalsContact CG-CB 3.44Å; D1431-S1676 WeakPolarHBondContact OD1-CB 3.37Å; D1431-S1676 PolarHBondContact OD1-OG 3.41Å; D1431-S1676 WeakPolarHBondContact OD2-CB 3.22Å; G1587-S1676 PolarHBondContact N-OG 2.92Å; V1672-S1676 PolarHBondContact O-N 2.86Å; V1672-S1676 VanDerWaalsContact O-N 3.14Å; I1673-S1676 PolarHBondContact O-N 2.93Å; N1674-S1676 VanDerWaalsContact C-N 3.33Å; N1674-S1676 PolarHBondContact O-N 2.87Å; S1676-R1679 PolarHBondContact O-N 3.38Å; S1676-R1680 WeakPolarHBondContact O-CG 3.23Å; S1676-R1680 PolarHBondContact O-N 3.42Å |
| 1677 | R | 87.8 | Confident | 88 | Confident | 22 Ų | 22 | 29.8 Ų | 29.8 | 8% | 0.083 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.4 | -47.1 | 172.7 | -75.7 | 173.1 | -178.5 | 167.4 | 5 | 111.2 | D1524 T1527 I1673 N1674 R1679 R1680 L1681 | D1524-R1677 IonicContact OD1-NH2 3.35Å; D1524-R1677 PolarHBondContact OD1-NH2 2.88Å; D1524-R1677 IonicContact OD2-CZ 3.2Å; D1524-R1677 IonicContact OD2-NH2 3.2Å; D1524-R1677 PolarHBondContact OD2-NH2 3.06Å; T1527-R1677 PolarHBondContact OG1-NH2 3.42Å; T1527-R1677 VanDerWaalsContact OG1-NH2 3.12Å; I1673-R1677 HydrophobicContact CG2-CG 4.4Å; I1673-R1677 VanDerWaalsContact CG2-NE 3.35Å; I1673-R1677 WeakPolarHBondContact O-CB 3.4Å; I1673-R1677 VanDerWaalsContact O-CG 3.28Å; I1673-R1677 WeakPolarHBondContact O-CG 3.32Å; I1673-R1677 PolarHBondContact O-N 2.6Å; N1674-R1677 PolarHBondContact O-N 3.49Å; R1677-R1679 VanDerWaalsContact C-N 3.33Å; R1677-R1679 PolarHBondContact O-N 3.1Å; R1677-R1680 PolarHBondContact O-N 2.93Å; R1677-L1681 VanDerWaalsContact O-CG 3.3Å; R1677-L1681 WeakPolarHBondContact O-CG 3.47Å; R1677-L1681 PolarHBondContact O-N 3.19Å |
| 1678 | R | 88.1 | Confident | 87.6 | Confident | 20 Ų | 20 | 30.4 Ų | 30.4 | 8% | 0.075 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -55.5 | -46.2 | 173.2 | -69.8 | -75.3 | -176.6 | 128.1 | 12 | 111.6 | Y969 E972 F1648 A1650 N1674 L1675 R1680 L1681 A1682 | Y969-R1678 VanDerWaalsContact N-NH2 3.2Å; E972-R1678 VanDerWaalsContact CD-NH2 3.32Å; E972-R1678 WeakPolarHBondContact OE1-CG 3.33Å; E972-R1678 IonicContact OE1-CZ 3.41Å; E972-R1678 IonicContact OE1-NE 3.06Å; E972-R1678 PolarHBondContact OE1-NE 3.43Å; E972-R1678 IonicContact OE1-NH2 2.78Å; E972-R1678 PolarHBondContact OE1-NH2 3.43Å; E972-R1678 IonicContact OE2-CZ 3.09Å; E972-R1678 IonicContact OE2-NE 2.82Å; E972-R1678 IonicContact OE2-NH2 3.96Å; E972-R1678 PolarHBondContact OE2-NH2 3.28Å; F1648-R1678 HydrophobicContact CB-CB 3.6Å; F1648-R1678 HydrophobicContact CB-CG 4.15Å; F1648-R1678 HydrophobicContact CD1-CB 4.36Å; F1648-R1678 HydrophobicContact CD2-CB 4.11Å; F1648-R1678 HydrophobicContact CG-CB 3.73Å; A1650-R1678 HydrophobicContact CB-CG 3.98Å; N1674-R1678 WeakPolarHBondContact O-CG 3.2Å; N1674-R1678 PolarHBondContact O-N 3.31Å; L1675-R1678 PolarHBondContact O-N 3.3Å; R1678-R1680 PolarHBondContact O-N 3.21Å; R1678-L1681 PolarHBondContact O-N 3.01Å; R1678-A1682 VanDerWaalsContact O-CB 3.27Å; R1678-A1682 WeakPolarHBondContact O-CB 3.44Å; R1678-A1682 PolarHBondContact O-N 3.42Å |
| 1679 | R | 84.2 | Confident | 87.3 | Confident | 92 Ų | 92 | 31 Ų | 31 | 35% | 0.347 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -61.3 | -42 | 177.1 | -164 | -178.3 | 81.2 | 164.3 | 6.3 | 112.6 | G1586 F1648 L1675 S1676 R1677 A1682 S1683 | G1586-R1679 PolarHBondContact O-NH2 3.36Å; F1648-R1679 HydrophobicContact CD2-CB 4.18Å; F1648-R1679 HydrophobicContact CE2-CB 4.1Å; F1648-R1679 HydrophobicContact CE2-CG 4.17Å; L1675-R1679 PolarHBondContact O-N 2.91Å; S1676-R1679 PolarHBondContact O-N 3.38Å; R1677-R1679 VanDerWaalsContact C-N 3.33Å; R1677-R1679 PolarHBondContact O-N 3.1Å; R1679-A1682 CarbonylContact O-C 3.5Å; R1679-A1682 PolarHBondContact O-N 3.28Å; R1679-S1683 PolarHBondContact O-N 3.02Å; R1679-S1683 VanDerWaalsContact O-N 3.08Å |
| 1680 | R | 86.3 | Confident | 87 | Confident | 21 Ų | 21 | 30 Ų | 30 | 8% | 0.079 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.7 | -44.7 | 175.7 | -74.1 | -176.6 | -80.6 | -100.7 | 2.2 | 111.9 | R1087 G1430 D1431 S1676 R1677 R1678 A1682 S1683 F1686 | R1087-R1680 PolarHBondContact NH2-O 3.46Å; G1430-R1680 PolarHBondContact O-NH1 2.68Å; D1431-R1680 IonicContact OD1-CZ 3.31Å; D1431-R1680 IonicContact OD1-NH1 2.81Å; D1431-R1680 PolarHBondContact OD1-NH1 3Å; D1431-R1680 IonicContact OD1-NH2 2.67Å; D1431-R1680 PolarHBondContact OD1-NH2 3.39Å; D1431-R1680 IonicContact OD2-CZ 3.34Å; D1431-R1680 IonicContact OD2-NH1 3.82Å; D1431-R1680 PolarHBondContact OD2-NH1 2.93Å; D1431-R1680 IonicContact OD2-NH2 3.01Å; D1431-R1680 PolarHBondContact OD2-NH2 3.06Å; S1676-R1680 WeakPolarHBondContact O-CG 3.23Å; S1676-R1680 PolarHBondContact O-N 3.42Å; R1677-R1680 PolarHBondContact O-N 2.93Å; R1678-R1680 PolarHBondContact O-N 3.21Å; R1680-A1682 VanDerWaalsContact C-N 3.34Å; R1680-A1682 PolarHBondContact O-N 3.29Å; R1680-S1683 PolarHBondContact O-N 3.1Å; R1680-F1686 HydrophobicContact CB-CD1 3.79Å; R1680-F1686 HydrophobicContact CB-CD2 4.3Å; R1680-F1686 HydrophobicContact CB-CE1 3.93Å; R1680-F1686 HydrophobicContact CB-CE2 4.43Å; R1680-F1686 HydrophobicContact CB-CG 4Å; R1680-F1686 HydrophobicContact CB-CZ 4.26Å; R1680-F1686 VanDerWaalsContact CD-CE2 3.5Å; R1680-F1686 HydrophobicContact CG-CD1 4.17Å; R1680-F1686 HydrophobicContact CG-CD2 3.81Å; R1680-F1686 HydrophobicContact CG-CE1 4.1Å; R1680-F1686 HydrophobicContact CG-CE2 3.74Å; R1680-F1686 HydrophobicContact CG-CG 4.04Å; R1680-F1686 HydrophobicContact CG-CZ 3.9Å |
| 1681 | L | 87.5 | Confident | 86.9 | Confident | 13 Ų | 13 | 29.7 Ų | 29.7 | 7% | 0.068 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.3 | -42.1 | 175.3 | -69.6 | 172.6 | 0 | 0 | 0 | 111.8 | L968 V1021 A1022 R1087 R1677 R1678 S1683 | L968-L1681 HydrophobicContact CD2-CD1 4.25Å; V1021-L1681 HydrophobicContact CB-CD2 3.96Å; V1021-L1681 HydrophobicContact CG1-CD2 3.65Å; A1022-L1681 HydrophobicContact CB-CD1 4.1Å; R1087-L1681 PolarHBondContact NH1-O 3.48Å; R1087-L1681 PolarHBondContact NH2-O 2.94Å; R1677-L1681 VanDerWaalsContact O-CG 3.3Å; R1677-L1681 WeakPolarHBondContact O-CG 3.47Å; R1677-L1681 PolarHBondContact O-N 3.19Å; R1678-L1681 PolarHBondContact O-N 3.01Å; L1681-S1683 VanDerWaalsContact C-N 3.32Å; L1681-S1683 PolarHBondContact O-N 3.38Å |
| 1682 | A | 83.8 | Confident | 86.7 | Confident | 43 Ų | 43 | 32.5 Ų | 32.5 | 36% | 0.355 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 6.8 | 179 | 0 | 0 | 0 | 0 | 0 | 115.3 | R1014 F1648 R1678 R1679 R1680 | R1014-A1682 PolarHBondContact NH2-O 3.49Å; F1648-A1682 HydrophobicContact CD1-CB 4.44Å; F1648-A1682 HydrophobicContact CE1-CB 3.44Å; F1648-A1682 VanDerWaalsContact CE1-CB 3.44Å; F1648-A1682 HydrophobicContact CE2-CB 3.99Å; F1648-A1682 HydrophobicContact CZ-CB 3.18Å; R1678-A1682 VanDerWaalsContact O-CB 3.27Å; R1678-A1682 WeakPolarHBondContact O-CB 3.44Å; R1678-A1682 PolarHBondContact O-N 3.42Å; R1679-A1682 CarbonylContact O-C 3.5Å; R1679-A1682 PolarHBondContact O-N 3.28Å; R1680-A1682 VanDerWaalsContact C-N 3.34Å; R1680-A1682 PolarHBondContact O-N 3.29Å |
| 1683 | S | 82.9 | Confident | 86.6 | Confident | 30 Ų | 30 | 32.6 Ų | 32.6 | 21% | 0.21 | 17% | 0.169 | C | C | . | . | trans | -101.6 | 140 | 165.5 | 176.8 | 0 | 0 | 0 | 0 | 110.9 | R1014 R1087 R1679 R1680 L1681 S1685 F1686 | R1014-S1683 VanDerWaalsContact NH2-CA 3.33Å; R1014-S1683 PolarHBondContact NH2-O 2.66Å; R1087-S1683 PolarHBondContact NH2-O 3.04Å; R1679-S1683 PolarHBondContact O-N 3.02Å; R1679-S1683 VanDerWaalsContact O-N 3.08Å; R1680-S1683 PolarHBondContact O-N 3.1Å; L1681-S1683 VanDerWaalsContact C-N 3.32Å; L1681-S1683 PolarHBondContact O-N 3.38Å; S1683-S1685 PolarHBondContact OG-N 3.23Å; S1683-S1685 PolarHBondContact OG-OG 3.22Å; S1683-S1685 VanDerWaalsContact OG-OG 3.12Å; S1683-F1686 PolarHBondContact OG-N 2.97Å | ||
| 1684 | D | 75.6 | Confident | 86.5 | Confident | 118 Ų | 118 | 34.1 Ų | 34.1 | 63% | 0.631 | 18% | 0.18 | S | C | * | . | S | Bend | trans | -90.9 | -25.7 | 173.9 | -70 | -54.6 | 0 | 0 | 0 | 111.7 | R1014 F1686 | R1014-D1684 VanDerWaalsContact CD-OD1 3.29Å; R1014-D1684 WeakPolarHBondContact CD-OD1 3.33Å; R1014-D1684 IonicContact CZ-OD1 3.87Å; R1014-D1684 IonicContact CZ-OD2 2.7Å; R1014-D1684 IonicContact NE-OD1 3.78Å; R1014-D1684 PolarHBondContact NE-OD1 2.99Å; R1014-D1684 IonicContact NE-OD2 2.61Å; R1014-D1684 VanDerWaalsContact NH1-CG 3.3Å; R1014-D1684 IonicContact NH1-OD1 2.73Å; R1014-D1684 PolarHBondContact NH1-OD1 3.38Å; R1014-D1684 IonicContact NH1-OD2 3.92Å; R1014-D1684 PolarHBondContact NH1-OD2 3.17Å; R1014-D1684 VanDerWaalsContact NH2-CG 3.29Å; R1014-D1684 VanDerWaalsContact NH2-N 3.13Å; R1014-D1684 IonicContact NH2-OD1 3.61Å; R1014-D1684 PolarHBondContact NH2-OD1 2.86Å; R1014-D1684 IonicContact NH2-OD2 2.72Å; R1014-D1684 PolarHBondContact NH2-OD2 3.35Å; D1684-F1686 VanDerWaalsContact C-N 3.32Å |
| 1685 | S | 78.9 | Confident | 86.4 | Confident | 68 Ų | 68 | 38 Ų | 38 | 48% | 0.476 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -81.7 | -10.1 | 176.4 | 61.8 | 0 | 0 | 0 | 0 | 113.2 | S1683 Q1687 | S1683-S1685 PolarHBondContact OG-N 3.23Å; S1683-S1685 PolarHBondContact OG-OG 3.22Å; S1683-S1685 VanDerWaalsContact OG-OG 3.12Å; S1685-Q1687 PolarHBondContact O-N 2.89Å |
| 1686 | F | 84 | Confident | 86.2 | Confident | 24 Ų | 24 | 39.6 Ų | 39.6 | 11% | 0.105 | 21% | 0.205 | C | C | . | . | trans | -72.3 | 114.7 | 178.5 | 178.1 | -99.7 | 0 | 0 | 0 | 111.8 | T1429 R1680 S1683 D1684 P1688 | T1429-F1686 HydrophobicContact CG2-CZ 3.98Å; R1680-F1686 HydrophobicContact CB-CD1 3.79Å; R1680-F1686 HydrophobicContact CB-CD2 4.3Å; R1680-F1686 HydrophobicContact CB-CE1 3.93Å; R1680-F1686 HydrophobicContact CB-CE2 4.43Å; R1680-F1686 HydrophobicContact CB-CG 4Å; R1680-F1686 HydrophobicContact CB-CZ 4.26Å; R1680-F1686 VanDerWaalsContact CD-CE2 3.5Å; R1680-F1686 HydrophobicContact CG-CD1 4.17Å; R1680-F1686 HydrophobicContact CG-CD2 3.81Å; R1680-F1686 HydrophobicContact CG-CE1 4.1Å; R1680-F1686 HydrophobicContact CG-CE2 3.74Å; R1680-F1686 HydrophobicContact CG-CG 4.04Å; R1680-F1686 HydrophobicContact CG-CZ 3.9Å; S1683-F1686 PolarHBondContact OG-N 2.97Å; D1684-F1686 VanDerWaalsContact C-N 3.32Å; F1686-P1688 HydrophobicContact CE1-CG 4.33Å | ||
| 1687 | Q | 86.5 | Confident | 86.3 | Confident | 93 Ų | 93 | 39.5 Ų | 39.5 | 44% | 0.435 | 20% | 0.204 | S | C | . | . | trans | -103.4 | 131.7 | 169.4 | -64.6 | -178.4 | -3 | 0 | 0 | 110.2 | S1685 R1692 | S1685-Q1687 PolarHBondContact O-N 2.89Å; Q1687-R1692 HydrophobicContact CB-CG 3.68Å | ||
| 1688 | P | 88.4 | Confident | 86.1 | Confident | 13 Ų | 13 | 43.3 Ų | 43.3 | 8% | 0.084 | 22% | 0.222 | C | C | . | . | trans | -57.4 | 154.4 | 173.8 | -23.9 | 32.9 | 0 | 0 | 0 | 113 | D1090 F1686 H1690 V1691 R1692 | D1090-P1688 HydrophobicContact CB-CG 4.36Å; F1686-P1688 HydrophobicContact CE1-CG 4.33Å; P1688-H1690 PolarHBondContact O-N 3.37Å; P1688-V1691 HydrophobicContact CB-CG2 4.04Å; P1688-V1691 HydrophobicContact CG-CG2 4Å; P1688-V1691 WeakPolarHBondContact O-CB 3.36Å; P1688-V1691 PolarHBondContact O-N 3.41Å; P1688-V1691 VanDerWaalsContact O-N 3.13Å; P1688-R1692 PolarHBondContact O-N 3.18Å | ||
| 1689 | P | 87.8 | Confident | 86 | Confident | 14 Ų | 14 | 46.2 Ų | 46.2 | 9% | 0.091 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.5 | -44 | -176.7 | -20.3 | 29 | 0 | 0 | 0 | 113.3 | P1426 R1428 T1429 V1691 R1692 R1693 | P1426-P1689 VanDerWaalsContact O-CB 3.23Å; P1426-P1689 WeakPolarHBondContact O-CB 3.45Å; R1428-P1689 VanDerWaalsContact C-CG 3.5Å; R1428-P1689 WeakPolarHBondContact O-CG 3.26Å; T1429-P1689 HydrophobicContact CG2-CG 3.95Å; P1689-V1691 VanDerWaalsContact C-N 3.35Å; P1689-V1691 PolarHBondContact O-N 2.98Å; P1689-R1692 PolarHBondContact O-N 2.63Å; P1689-R1693 PolarHBondContact O-N 2.9Å |
| 1690 | H | 87.9 | Confident | 85.9 | Confident | 12 Ų | 12 | 42.6 Ų | 42.6 | 6% | 0.056 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.2 | -36.7 | 178.2 | 67.1 | -92.5 | 0 | 0 | 0 | 113 | D1090 P1187 F1188 P1688 R1693 S1694 | D1090-H1690 PolarHBondContact O-CE1 2.94Å; D1090-H1690 VanDerWaalsContact O-CE1 3.31Å; D1090-H1690 PolarHBondContact O-NE2 3.47Å; D1090-H1690 VanDerWaalsContact O-NE2 3.12Å; P1187-H1690 HydrophobicContact CB-CB 4.26Å; P1187-H1690 VanDerWaalsContact O-CA 3.22Å; P1187-H1690 WeakPolarHBondContact O-CA 3.44Å; P1187-H1690 WeakPolarHBondContact O-CB 3.49Å; F1188-H1690 HydrophobicContact CD1-CB 3.67Å; F1188-H1690 HydrophobicContact CE1-CB 3.43Å; F1188-H1690 VanDerWaalsContact CE1-CB 3.43Å; F1188-H1690 AromaticContact CE1-CD2 3.9Å; F1188-H1690 AromaticContact CE1-CG 3.43Å; F1188-H1690 VanDerWaalsContact CE1-CG 3.43Å; F1188-H1690 AromaticContact CE1-ND1 3.84Å; F1188-H1690 HydrophobicContact CG-CB 4.41Å; F1188-H1690 HydrophobicContact CZ-CB 4.01Å; F1188-H1690 AromaticContact CZ-CD2 3.89Å; F1188-H1690 AromaticContact CZ-CG 3.89Å; P1688-H1690 PolarHBondContact O-N 3.37Å; H1690-R1693 PolarHBondContact O-N 3.41Å; H1690-S1694 VanDerWaalsContact O-CB 3.31Å; H1690-S1694 WeakPolarHBondContact O-CB 3.5Å; H1690-S1694 PolarHBondContact O-N 3.22Å |
| 1691 | V | 90.8 | Very high | 85.5 | Confident | 11 Ų | 11 | 41.7 Ų | 41.7 | 7% | 0.067 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.2 | -44.9 | 174.3 | -179.6 | 0 | 0 | 0 | 0 | 110.1 | D1090 P1688 P1689 S1694 H1695 | D1090-V1691 HydrophobicContact CB-CG2 3.76Å; P1688-V1691 HydrophobicContact CB-CG2 4.04Å; P1688-V1691 HydrophobicContact CG-CG2 4Å; P1688-V1691 WeakPolarHBondContact O-CB 3.36Å; P1688-V1691 PolarHBondContact O-N 3.41Å; P1688-V1691 VanDerWaalsContact O-N 3.13Å; P1689-V1691 VanDerWaalsContact C-N 3.35Å; P1689-V1691 PolarHBondContact O-N 2.98Å; V1691-S1694 PolarHBondContact O-N 2.97Å; V1691-H1695 VanDerWaalsContact CG1-CE1 3.47Å; V1691-H1695 WeakPolarHBondContact CG1-CE1 3.37Å; V1691-H1695 PolarHBondContact O-N 2.75Å; V1691-H1695 PolarHBondContact O-ND1 3.43Å |
| 1692 | R | 89.1 | Confident | 85.1 | Confident | 60 Ų | 60 | 45 Ų | 45 | 23% | 0.226 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.1 | -44.8 | 177.3 | -67.3 | 174.6 | 63.1 | -144.5 | -2.4 | 111.8 | M1425 P1584 Q1687 P1688 P1689 S1694 H1695 E1696 | M1425-R1692 HydrophobicContact CE-CB 4.25Å; P1584-R1692 VanDerWaalsContact CB-NH1 3.28Å; Q1687-R1692 HydrophobicContact CB-CG 3.68Å; P1688-R1692 PolarHBondContact O-N 3.18Å; P1689-R1692 PolarHBondContact O-N 2.63Å; R1692-S1694 VanDerWaalsContact C-N 3.33Å; R1692-S1694 PolarHBondContact O-N 3.47Å; R1692-H1695 PolarHBondContact O-N 3.35Å; R1692-E1696 PolarHBondContact O-N 3.06Å |
| 1693 | R | 89.7 | Confident | 84.8 | Confident | 3 Ų | 3 | 45 Ų | 45 | 1% | 0.011 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.6 | -39.5 | 176.8 | -167.2 | 169.7 | 175.8 | 112.1 | 10.8 | 111.5 | G1186 P1187 L1422 D1423 M1425 P1689 H1690 E1696 L1697 | G1186-R1693 WeakPolarHBondContact O-CD 3.41Å; G1186-R1693 PolarHBondContact O-NE 2.91Å; P1187-R1693 WeakPolarHBondContact O-CD 3.44Å; L1422-R1693 HydrophobicContact CD1-CG 3.9Å; L1422-R1693 VanDerWaalsContact O-CZ 3.28Å; L1422-R1693 PolarHBondContact O-NH1 3.47Å; D1423-R1693 IonicContact OD1-NH2 3.24Å; D1423-R1693 PolarHBondContact OD1-NH2 3.33Å; M1425-R1693 HydrophobicContact CE-CB 4.31Å; M1425-R1693 PolarHBondContact O-NH1 2.74Å; M1425-R1693 VanDerWaalsContact O-NH1 3.11Å; M1425-R1693 HydrophobicContact SD-CG 4.46Å; P1689-R1693 PolarHBondContact O-N 2.9Å; H1690-R1693 PolarHBondContact O-N 3.41Å; R1693-E1696 PolarHBondContact O-N 3.08Å; R1693-L1697 HydrophobicContact CG-CD1 4.08Å; R1693-L1697 WeakPolarHBondContact O-CB 3.47Å; R1693-L1697 WeakPolarHBondContact O-CD1 3.45Å; R1693-L1697 VanDerWaalsContact O-CG 3.3Å; R1693-L1697 WeakPolarHBondContact O-CG 3.5Å; R1693-L1697 PolarHBondContact O-N 2.85Å |
| 1694 | S | 89.2 | Confident | 84.4 | Confident | 38 Ų | 38 | 44 Ų | 44 | 27% | 0.266 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63 | -42.3 | 173.4 | -171.8 | 0 | 0 | 0 | 0 | 113.1 | H1690 V1691 R1692 L1697 F1698 | H1690-S1694 VanDerWaalsContact O-CB 3.31Å; H1690-S1694 WeakPolarHBondContact O-CB 3.5Å; H1690-S1694 PolarHBondContact O-N 3.22Å; V1691-S1694 PolarHBondContact O-N 2.97Å; R1692-S1694 VanDerWaalsContact C-N 3.33Å; R1692-S1694 PolarHBondContact O-N 3.47Å; S1694-L1697 PolarHBondContact O-N 2.75Å; S1694-F1698 WeakPolarHBondContact O-CB 3.32Å; S1694-F1698 PolarHBondContact O-N 2.71Å |
| 1695 | H | 88.4 | Confident | 84.3 | Confident | 88 Ų | 88 | 41 Ų | 41 | 41% | 0.407 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -64.9 | -39.7 | 175.6 | -74.7 | 72.8 | 0 | 0 | 0 | 112 | V1691 R1692 F1698 R1699 | V1691-H1695 VanDerWaalsContact CG1-CE1 3.47Å; V1691-H1695 WeakPolarHBondContact CG1-CE1 3.37Å; V1691-H1695 PolarHBondContact O-N 2.75Å; V1691-H1695 PolarHBondContact O-ND1 3.43Å; R1692-H1695 PolarHBondContact O-N 3.35Å; H1695-F1698 PolarHBondContact O-N 2.87Å; H1695-R1699 WeakPolarHBondContact O-CB 3.49Å; H1695-R1699 PolarHBondContact O-N 2.84Å |
| 1696 | E | 87.5 | Confident | 84 | Confident | 46 Ų | 46 | 43.4 Ų | 43.4 | 22% | 0.215 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -69.9 | -41.8 | 176.5 | -169.1 | 57.4 | -151.9 | 0 | 0 | 111.6 | M1425 R1692 R1693 F1698 R1699 L1700 | M1425-E1696 HydrophobicContact CE-CB 4.18Å; M1425-E1696 HydrophobicContact SD-CB 3.88Å; M1425-E1696 HydrophobicContact SD-CG 4.09Å; R1692-E1696 PolarHBondContact O-N 3.06Å; R1693-E1696 PolarHBondContact O-N 3.08Å; E1696-F1698 VanDerWaalsContact C-N 3.28Å; E1696-F1698 PolarHBondContact O-N 2.83Å; E1696-R1699 VanDerWaalsContact CD-NE 3.32Å; E1696-R1699 WeakPolarHBondContact O-CB 3.35Å; E1696-R1699 PolarHBondContact O-N 2.86Å; E1696-R1699 VanDerWaalsContact O-N 3.11Å; E1696-R1699 IonicContact OE1-CZ 2.84Å; E1696-R1699 VanDerWaalsContact OE1-CZ 3.24Å; E1696-R1699 IonicContact OE1-NE 3.36Å; E1696-R1699 PolarHBondContact OE1-NE 3.37Å; E1696-R1699 IonicContact OE1-NH2 3.98Å; E1696-R1699 PolarHBondContact OE1-NH2 2.85Å; E1696-R1699 IonicContact OE2-CZ 3.3Å; E1696-R1699 IonicContact OE2-NE 2.78Å; E1696-R1699 PolarHBondContact OE2-NE 2.74Å; E1696-L1700 HydrophobicContact CG-CD1 4.18Å; E1696-L1700 HydrophobicContact CG-CG 4.29Å; E1696-L1700 WeakPolarHBondContact O-CB 3.46Å; E1696-L1700 VanDerWaalsContact O-CG 3.26Å; E1696-L1700 WeakPolarHBondContact O-CG 3.36Å; E1696-L1700 PolarHBondContact O-N 3.41Å |
| 1697 | L | 87.8 | Confident | 83.3 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -55.5 | -42.2 | 172.4 | -79.6 | 158.4 | 0 | 0 | 0 | 112.2 | S1150 I1152 G1186 L1422 R1693 S1694 A1701 | S1150-L1697 WeakPolarHBondContact O-CD1 3.48Å; I1152-L1697 HydrophobicContact CD1-CD2 3.76Å; I1152-L1697 HydrophobicContact CG1-CD2 3.74Å; G1186-L1697 VanDerWaalsContact C-CD1 3.4Å; L1422-L1697 HydrophobicContact CD1-CD2 4.25Å; L1422-L1697 HydrophobicContact CD1-CG 4Å; L1422-L1697 HydrophobicContact CD2-CD2 3.66Å; L1422-L1697 HydrophobicContact CD2-CG 4.33Å; R1693-L1697 HydrophobicContact CG-CD1 4.08Å; R1693-L1697 WeakPolarHBondContact O-CB 3.47Å; R1693-L1697 WeakPolarHBondContact O-CD1 3.45Å; R1693-L1697 VanDerWaalsContact O-CG 3.3Å; R1693-L1697 WeakPolarHBondContact O-CG 3.5Å; R1693-L1697 PolarHBondContact O-N 2.85Å; S1694-L1697 PolarHBondContact O-N 2.75Å; L1697-A1701 WeakPolarHBondContact O-CB 3.37Å; L1697-A1701 PolarHBondContact O-N 2.82Å; L1697-A1701 VanDerWaalsContact O-N 3.13Å |
| 1698 | F | 84.8 | Confident | 82.2 | Confident | 103 Ų | 103 | 44.4 Ų | 44.4 | 45% | 0.452 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -66.1 | -44.5 | 174.2 | -174.5 | -90.3 | 0 | 0 | 0 | 112 | S1694 H1695 E1696 L1700 A1701 E1702 | S1694-F1698 WeakPolarHBondContact O-CB 3.32Å; S1694-F1698 PolarHBondContact O-N 2.71Å; H1695-F1698 PolarHBondContact O-N 2.87Å; E1696-F1698 VanDerWaalsContact C-N 3.28Å; E1696-F1698 PolarHBondContact O-N 2.83Å; F1698-L1700 PolarHBondContact O-N 2.9Å; F1698-A1701 WeakPolarHBondContact O-CB 3.42Å; F1698-A1701 PolarHBondContact O-N 3.26Å; F1698-E1702 PolarHBondContact O-N 3.4Å |
| 1699 | R | 85 | Confident | 81.2 | Confident | 81 Ų | 81 | 52.2 Ų | 52.2 | 31% | 0.306 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.4 | -44 | 178.4 | -164.4 | -169.6 | 79.5 | 100 | 7.6 | 112 | I1566 H1695 E1696 E1702 A1703 | I1566-R1699 PolarHBondContact O-NH1 3.13Å; H1695-R1699 WeakPolarHBondContact O-CB 3.49Å; H1695-R1699 PolarHBondContact O-N 2.84Å; E1696-R1699 VanDerWaalsContact CD-NE 3.32Å; E1696-R1699 WeakPolarHBondContact O-CB 3.35Å; E1696-R1699 PolarHBondContact O-N 2.86Å; E1696-R1699 VanDerWaalsContact O-N 3.11Å; E1696-R1699 IonicContact OE1-CZ 2.84Å; E1696-R1699 VanDerWaalsContact OE1-CZ 3.24Å; E1696-R1699 IonicContact OE1-NE 3.36Å; E1696-R1699 PolarHBondContact OE1-NE 3.37Å; E1696-R1699 IonicContact OE1-NH2 3.98Å; E1696-R1699 PolarHBondContact OE1-NH2 2.85Å; E1696-R1699 IonicContact OE2-CZ 3.3Å; E1696-R1699 IonicContact OE2-NE 2.78Å; E1696-R1699 PolarHBondContact OE2-NE 2.74Å; R1699-E1702 PolarHBondContact O-N 3Å; R1699-A1703 WeakPolarHBondContact O-CB 3.43Å; R1699-A1703 PolarHBondContact O-N 3.36Å |
| 1700 | L | 82.4 | Confident | 79.8 | Confident | 15 Ų | 15 | 55 Ų | 55 | 8% | 0.079 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.7 | -40.7 | 176.7 | -69.2 | 173 | 0 | 0 | 0 | 111.6 | I1418 E1696 F1698 A1703 N1704 | I1418-L1700 HydrophobicContact CD1-CD2 4.35Å; I1418-L1700 HydrophobicContact CG1-CD2 4.25Å; I1418-L1700 HydrophobicContact CG2-CD1 3.62Å; I1418-L1700 HydrophobicContact CG2-CD2 3.57Å; I1418-L1700 HydrophobicContact CG2-CG 4.16Å; E1696-L1700 HydrophobicContact CG-CD1 4.18Å; E1696-L1700 HydrophobicContact CG-CG 4.29Å; E1696-L1700 WeakPolarHBondContact O-CB 3.46Å; E1696-L1700 VanDerWaalsContact O-CG 3.26Å; E1696-L1700 WeakPolarHBondContact O-CG 3.36Å; E1696-L1700 PolarHBondContact O-N 3.41Å; F1698-L1700 PolarHBondContact O-N 2.9Å; L1700-A1703 PolarHBondContact O-N 3.29Å; L1700-N1704 WeakPolarHBondContact O-CB 3.44Å; L1700-N1704 PolarHBondContact O-N 2.85Å |
| 1701 | A | 77.4 | Confident | 78.2 | Confident | 2 Ų | 2 | 61.3 Ų | 61.3 | 2% | 0.017 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.3 | -42.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | W1146 L1697 F1698 N1704 R1705 | W1146-A1701 HydrophobicContact CD2-CB 3.81Å; W1146-A1701 HydrophobicContact CG-CB 4.01Å; W1146-A1701 HydrophobicContact CH2-CB 4.32Å; W1146-A1701 HydrophobicContact CZ2-CB 3.53Å; L1697-A1701 WeakPolarHBondContact O-CB 3.37Å; L1697-A1701 PolarHBondContact O-N 2.82Å; L1697-A1701 VanDerWaalsContact O-N 3.13Å; F1698-A1701 WeakPolarHBondContact O-CB 3.42Å; F1698-A1701 PolarHBondContact O-N 3.26Å; A1701-N1704 PolarHBondContact O-N 3.37Å; A1701-R1705 WeakPolarHBondContact O-CB 3.33Å; A1701-R1705 WeakPolarHBondContact O-CG 3.31Å; A1701-R1705 PolarHBondContact O-N 3.23Å |
| 1702 | E | 78.5 | Confident | 75.8 | Confident | 83 Ų | 83 | 65.7 Ų | 65.7 | 39% | 0.388 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.1 | -39 | 176.3 | -158.3 | -161 | 143.7 | 0 | 0 | 111.7 | F1698 R1699 K1706 | F1698-E1702 PolarHBondContact O-N 3.4Å; R1699-E1702 PolarHBondContact O-N 3Å; E1702-K1706 WeakPolarHBondContact O-CG 3.42Å; E1702-K1706 PolarHBondContact O-N 2.82Å; E1702-K1706 VanDerWaalsContact O-N 3.09Å; E1702-K1706 WeakPolarHBondContact OE1-CE 3.41Å; E1702-K1706 IonicContact OE1-NZ 2.68Å; E1702-K1706 PolarHBondContact OE1-NZ 2.93Å |
| 1703 | A | 78 | Confident | 73.3 | Confident | 43 Ų | 43 | 69.3 Ų | 69.3 | 36% | 0.355 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.1 | -47.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | R1699 L1700 K1706 I1707 | R1699-A1703 WeakPolarHBondContact O-CB 3.43Å; R1699-A1703 PolarHBondContact O-N 3.36Å; L1700-A1703 PolarHBondContact O-N 3.29Å; A1703-K1706 WeakPolarHBondContact O-CB 3.44Å; A1703-K1706 PolarHBondContact O-N 2.89Å; A1703-K1706 VanDerWaalsContact O-N 3.13Å; A1703-I1707 WeakPolarHBondContact O-CG1 3.47Å; A1703-I1707 PolarHBondContact O-N 3.43Å |
| 1704 | N | 75 | Confident | 70.7 | Confident | 8 Ų | 8 | 73.3 Ų | 73.3 | 4% | 0.043 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -66.7 | -40.8 | 178.3 | -174.3 | 40.8 | 0 | 0 | 0 | 112.3 | F1406 P1407 F1408 L1700 A1701 K1706 I1707 V1708 | F1406-N1704 WeakPolarHBondContact CE1-ND2 3.45Å; P1407-N1704 PolarHBondContact O-ND2 3Å; F1408-N1704 WeakPolarHBondContact CA-ND2 3.39Å; F1408-N1704 HydrophobicContact CD1-CB 4.01Å; F1408-N1704 WeakPolarHBondContact CD1-ND2 3.39Å; F1408-N1704 HydrophobicContact CE1-CB 3.57Å; F1408-N1704 HydrophobicContact CZ-CB 4.22Å; L1700-N1704 WeakPolarHBondContact O-CB 3.44Å; L1700-N1704 PolarHBondContact O-N 2.85Å; A1701-N1704 PolarHBondContact O-N 3.37Å; N1704-K1706 PolarHBondContact O-N 3.3Å; N1704-I1707 PolarHBondContact O-N 2.72Å; N1704-I1707 VanDerWaalsContact O-N 3.11Å; N1704-V1708 WeakPolarHBondContact O-CG2 3.39Å; N1704-V1708 PolarHBondContact O-N 3.41Å |
| 1705 | R | 73 | Confident | 68.1 | Low | 55 Ų | 55 | 77.4 Ų | 77.4 | 21% | 0.208 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -54.4 | -37 | 170 | -82 | 175.3 | 166.4 | 171.9 | -5.4 | 111.8 | E1148 F1406 A1701 R1709 | E1148-R1705 IonicContact OE1-CZ 2.89Å; E1148-R1705 IonicContact OE1-NH1 2.73Å; E1148-R1705 PolarHBondContact OE1-NH1 2.97Å; E1148-R1705 IonicContact OE1-NH2 3.98Å; E1148-R1705 PolarHBondContact OE1-NH2 3.49Å; F1406-R1705 HydrophobicContact CD1-CG 4.42Å; F1406-R1705 HydrophobicContact CE1-CG 3.98Å; F1406-R1705 HydrophobicContact CZ-CG 4.07Å; A1701-R1705 WeakPolarHBondContact O-CB 3.33Å; A1701-R1705 WeakPolarHBondContact O-CG 3.31Å; A1701-R1705 PolarHBondContact O-N 3.23Å; R1705-R1709 VanDerWaalsContact O-CB 3.29Å; R1705-R1709 WeakPolarHBondContact O-CB 3.36Å; R1705-R1709 WeakPolarHBondContact O-CD 3.26Å; R1705-R1709 VanDerWaalsContact O-CG 3.23Å; R1705-R1709 WeakPolarHBondContact O-CG 3.45Å; R1705-R1709 PolarHBondContact O-N 3.4Å |
| 1706 | K | 71.8 | Confident | 65.3 | Low | 120 Ų | 120 | 76.7 Ų | 76.7 | 52% | 0.522 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -71.6 | -42.1 | 175.1 | -72.1 | 167.3 | -172.5 | 168.9 | 0 | 112.5 | E1702 A1703 N1704 R1709 A1710 | E1702-K1706 WeakPolarHBondContact O-CG 3.42Å; E1702-K1706 PolarHBondContact O-N 2.82Å; E1702-K1706 VanDerWaalsContact O-N 3.09Å; E1702-K1706 WeakPolarHBondContact OE1-CE 3.41Å; E1702-K1706 IonicContact OE1-NZ 2.68Å; E1702-K1706 PolarHBondContact OE1-NZ 2.93Å; A1703-K1706 WeakPolarHBondContact O-CB 3.44Å; A1703-K1706 PolarHBondContact O-N 2.89Å; A1703-K1706 VanDerWaalsContact O-N 3.13Å; N1704-K1706 PolarHBondContact O-N 3.3Å; K1706-R1709 PolarHBondContact O-N 3.25Å; K1706-A1710 WeakPolarHBondContact O-CB 3.43Å; K1706-A1710 PolarHBondContact O-N 2.85Å |
| 1707 | I | 69.5 | Low | 62.7 | Low | 70 Ų | 70 | 82.3 Ų | 82.3 | 36% | 0.359 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.1 | -51.2 | 177.5 | -66.2 | 167.1 | 0 | 0 | 0 | 110.6 | A1703 N1704 R1709 A1710 Q1711 | A1703-I1707 WeakPolarHBondContact O-CG1 3.47Å; A1703-I1707 PolarHBondContact O-N 3.43Å; N1704-I1707 PolarHBondContact O-N 2.72Å; N1704-I1707 VanDerWaalsContact O-N 3.11Å; I1707-R1709 VanDerWaalsContact C-N 3.29Å; I1707-R1709 PolarHBondContact O-N 3.48Å; I1707-A1710 PolarHBondContact O-N 3.05Å; I1707-Q1711 PolarHBondContact O-N 3.11Å |
| 1708 | V | 65 | Low | 60 | Low | 68 Ų | 68 | 92.3 Ų | 92.3 | 41% | 0.412 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.8 | -35.3 | 179.9 | 176 | 0 | 0 | 0 | 0 | 111.9 | F1406 N1704 A1710 | F1406-V1708 HydrophobicContact CE1-CG2 4.4Å; F1406-V1708 HydrophobicContact CE2-CG1 4.27Å; F1406-V1708 HydrophobicContact CZ-CB 3.86Å; F1406-V1708 HydrophobicContact CZ-CG1 4.04Å; F1406-V1708 HydrophobicContact CZ-CG2 3.82Å; N1704-V1708 WeakPolarHBondContact O-CG2 3.39Å; N1704-V1708 PolarHBondContact O-N 3.41Å; V1708-A1710 VanDerWaalsContact C-N 3.33Å |
| 1709 | R | 65.7 | Low | 57.4 | Low | 176 Ų | 176 | 94.3 Ų | 94.3 | 66% | 0.664 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -74.9 | -17 | 173.2 | -76 | 176.2 | 167.3 | 177.3 | -4.8 | 114.2 | D1400 R1705 K1706 I1707 | D1400-R1709 IonicContact OD2-NH2 3.7Å; D1400-R1709 PolarHBondContact OD2-NH2 2.81Å; D1400-R1709 VanDerWaalsContact OD2-NH2 3.07Å; R1705-R1709 VanDerWaalsContact O-CB 3.29Å; R1705-R1709 WeakPolarHBondContact O-CB 3.36Å; R1705-R1709 WeakPolarHBondContact O-CD 3.26Å; R1705-R1709 VanDerWaalsContact O-CG 3.23Å; R1705-R1709 WeakPolarHBondContact O-CG 3.45Å; R1705-R1709 PolarHBondContact O-N 3.4Å; K1706-R1709 PolarHBondContact O-N 3.25Å; I1707-R1709 VanDerWaalsContact C-N 3.29Å; I1707-R1709 PolarHBondContact O-N 3.48Å |
| 1710 | A | 58.2 | Low | 54.6 | Low | 72 Ų | 72 | 95.7 Ų | 95.7 | 60% | 0.595 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -97.2 | -10.4 | -174 | 0 | 0 | 0 | 0 | 0 | 114.4 | K1706 I1707 V1708 P1712 | K1706-A1710 WeakPolarHBondContact O-CB 3.43Å; K1706-A1710 PolarHBondContact O-N 2.85Å; I1707-A1710 PolarHBondContact O-N 3.05Å; V1708-A1710 VanDerWaalsContact C-N 3.33Å; A1710-P1712 WeakPolarHBondContact O-CD 3.46Å |
| 1711 | Q | 54.5 | Low | 52.2 | Low | 145 Ų | 145 | 100.8 Ų | 100.8 | 68% | 0.678 | 59% | 0.585 | S | S | * | * | trans | -65.7 | 114.7 | 173.1 | -73 | -160.2 | 0.4 | 0 | 0 | 110.4 | I1707 | I1707-Q1711 PolarHBondContact O-N 3.11Š| ||
| 1712 | P | 40.3 | Very low | 49.9 | Very low | 104 Ų | 104 | 111.6 Ų | 111.6 | 68% | 0.675 | 63% | 0.627 | S | S | * | * | trans | -86.3 | 138.5 | -174.8 | 34 | -31.4 | 0 | 0 | 0 | 111.3 | A1710 S1714 | A1710-P1712 WeakPolarHBondContact O-CD 3.46Å; P1712-S1714 VanDerWaalsContact C-N 3.28Å; P1712-S1714 PolarHBondContact O-N 3.41Å | ||
| 1713 | S | 38.1 | Very low | 47.4 | Very low | 136 Ų | 136 | 113 Ų | 113 | 95% | 0.951 | 65% | 0.646 | S | S | * | * | trans | -75.8 | 69.8 | 176.1 | 43.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1714 | S | 34.3 | Very low | 45 | Very low | 86 Ų | 86 | 116.9 Ų | 116.9 | 60% | 0.601 | 67% | 0.67 | S | S | * | * | trans | -122.6 | 94.4 | -178.2 | 63.6 | 0 | 0 | 0 | 0 | 115.1 | P1712 | P1712-S1714 VanDerWaalsContact C-N 3.28Å; P1712-S1714 PolarHBondContact O-N 3.41Å | ||
| 1715 | S | 33.8 | Very low | 42.8 | Very low | 124 Ų | 124 | 122 Ų | 122 | 87% | 0.867 | 70% | 0.697 | S | S | * | * | trans | 45.3 | 124 | 135.5 | 63.1 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1716 | G | 31.2 | Very low | 40.7 | Very low | 74 Ų | 74 | 126 Ų | 126 | 76% | 0.763 | 73% | 0.728 | S | S | * | * | 113 | 86.9 | 117.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 1717 | N | 32.7 | Very low | 38.6 | Very low | 163 Ų | 163 | 124.1 Ų | 124.1 | 87% | 0.872 | 74% | 0.735 | S | S | * | * | trans | 34.4 | 101.7 | 152.5 | -72 | -5.9 | 0 | 0 | 0 | 119.1 | ||||
| 1718 | K | 29.7 | Very low | 36.6 | Very low | 210 Ų | 210 | 126.5 Ų | 126.5 | 91% | 0.913 | 75% | 0.748 | S | S | * | * | -155.3 | 147.2 | 124 | -108.9 | 159.1 | -170.3 | 178.3 | 0 | 111.6 | S1720 | K1718-S1720 PolarHBondContact O-N 2.95Š| |||
| 1719 | T | 31.4 | Very low | 35 | Very low | 146 Ų | 146 | 128.7 Ų | 128.7 | 90% | 0.896 | 76% | 0.756 | S | S | * | * | trans | -68.1 | 112.4 | -167.8 | 46 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1720 | S | 27 | Very low | 33.3 | Very low | 110 Ų | 110 | 127.2 Ų | 127.2 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | trans | -147.6 | 148.9 | 143.8 | 53.7 | 0 | 0 | 0 | 0 | 109.2 | K1718 | K1718-S1720 PolarHBondContact O-N 2.95Š| ||
| 1721 | T | 30.5 | Very low | 31.8 | Very low | 121 Ų | 121 | 135.4 Ų | 135.4 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -59.5 | 148.8 | -175.9 | 41.8 | 0 | 0 | 0 | 0 | 113.4 | ||
| 1722 | Y | 28.6 | Very low | 30.5 | Very low | 229 Ų | 229 | 132.2 Ų | 132.2 | 90% | 0.898 | 78% | 0.776 | S | S | * | * | trans | 75.8 | 91.8 | -179.3 | -56.8 | -82.3 | 0 | 0 | 0 | 116.4 | ||||
| 1723 | S | 26.5 | Very low | 29.9 | Very low | 113 Ų | 113 | 134.6 Ų | 134.6 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | trans | -148.7 | 123.3 | 153.5 | 66.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 1724 | C | 29.2 | Very low | 29.2 | Very low | 125 Ų | 125 | 137.9 Ų | 137.9 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | trans | -72.7 | 141.8 | 178.6 | -161 | 0 | 0 | 0 | 0 | 111.1 | T1726 | C1724-T1726 PolarHBondContact O-N 3.34Š| ||
| 1725 | N | 27.3 | Very low | 28.9 | Very low | 116 Ų | 116 | 146.6 Ų | 146.6 | 62% | 0.62 | 81% | 0.807 | S | S | * | * | trans | -104.3 | 75.5 | -161 | -160.6 | -6 | 0 | 0 | 0 | 112.7 | A1727 | N1725-A1727 VanDerWaalsContact C-N 3.26Å; N1725-A1727 PolarHBondContact O-N 3.23Å | ||
| 1726 | T | 29.4 | Very low | 28.6 | Very low | 139 Ų | 139 | 147.8 Ų | 147.8 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | 7.5 | -169.4 | -19.8 | 0 | 0 | 0 | 0 | 115.5 | C1724 | C1724-T1726 PolarHBondContact O-N 3.34Š|
| 1727 | A | 27 | Very low | 28.5 | Very low | 80 Ų | 80 | 151.6 Ų | 151.6 | 66% | 0.661 | 81% | 0.806 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.1 | -8.8 | -167.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | N1725 | N1725-A1727 VanDerWaalsContact C-N 3.26Å; N1725-A1727 PolarHBondContact O-N 3.23Å |
| 1728 | N | 28.4 | Very low | 28.3 | Very low | 119 Ų | 119 | 151 Ų | 151 | 64% | 0.636 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -108.5 | -1.3 | -166 | -85.2 | -23.8 | 0 | 0 | 0 | 117.2 | ||
| 1729 | I | 31.7 | Very low | 28.2 | Very low | 115 Ų | 115 | 147.5 Ų | 147.5 | 59% | 0.59 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -95.4 | -20.7 | -174.2 | -63.6 | 178 | 0 | 0 | 0 | 113.3 | R1731 S1732 | I1729-R1731 PolarHBondContact O-N 3.27Å; I1729-R1731 VanDerWaalsContact O-N 3.1Å; I1729-S1732 PolarHBondContact O-N 3.01Å |
| 1730 | V | 29.3 | Very low | 28 | Very low | 145 Ų | 145 | 147.6 Ų | 147.6 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | -6.9 | 179.6 | -176.4 | 0 | 0 | 0 | 0 | 113 | ||
| 1731 | R | 26.8 | Very low | 28.1 | Very low | 243 Ų | 243 | 150.1 Ų | 150.1 | 92% | 0.917 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | 1.9 | -178 | -112.6 | 178.9 | -177.1 | 149.4 | 1.7 | 115.9 | I1729 | I1729-R1731 PolarHBondContact O-N 3.27Å; I1729-R1731 VanDerWaalsContact O-N 3.1Å |
| 1732 | S | 26.6 | Very low | 27.9 | Very low | 79 Ų | 79 | 152.2 Ų | 152.2 | 55% | 0.552 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -127.2 | 24 | -173.3 | 68.3 | 0 | 0 | 0 | 0 | 115.4 | I1729 | I1729-S1732 PolarHBondContact O-N 3.01Š|
| 1733 | L | 28.2 | Very low | 27.8 | Very low | 154 Ų | 154 | 146.3 Ų | 146.3 | 81% | 0.806 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -128.1 | 27.2 | 170.8 | -77.5 | 171.7 | 0 | 0 | 0 | 113 | ||
| 1734 | F | 24.7 | Very low | 27.9 | Very low | 205 Ų | 205 | 149.1 Ų | 149.1 | 90% | 0.899 | 79% | 0.787 | S | S | * | * | trans | -116.9 | 58.4 | 154.6 | -98.6 | -79 | 0 | 0 | 0 | 108.5 | ||||
| 1735 | F | 26.8 | Very low | 27.8 | Very low | 269 Ų | 269 | 151.3 Ų | 151.3 | 100% | 1.18 | 78% | 0.781 | S | S | * | * | trans | -167.1 | 0 | 159.3 | -108.2 | -67.1 | 0 | 0 | 0 | 110.5 |
Retrieved 1,735 of 1,735 residues in 2098.2 ms
(Link to these results)