| 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 | 81.5 | Confident | 90.2 | Very high | 130 Ų | 130 | 76.7 Ų | 76.7 | 64% | 0.64 | 42% | 0.418 | S | S | * | . | 0 | 118.7 | 0 | -174.1 | 177.1 | -90.1 | 0 | 0 | 107.4 | V303 Y333 V341 R343 | M1-V303 HydrophobicContact CE-CG1 4.46Å; M1-Y333 HydrophobicContact CE-CD1 3.81Å; M1-Y333 HydrophobicContact CE-CE1 3.67Å; M1-Y333 HydrophobicContact SD-CD1 4.43Å; M1-Y333 HydrophobicContact SD-CE1 4.02Å; M1-V341 CarbonylContact C-O 3.52Å; M1-V341 WeakPolarHBondContact CA-O 3.23Å; M1-V341 HydrophobicContact CB-CB 4.42Å; M1-V341 HydrophobicContact CE-CB 3.92Å; M1-V341 HydrophobicContact CE-CG1 3.4Å; M1-V341 VanDerWaalsContact CE-CG1 3.4Å; M1-V341 HydrophobicContact CE-CG2 4.34Å; M1-V341 HydrophobicContact CG-CB 4.06Å; M1-V341 HydrophobicContact CG-CG1 3.93Å; M1-V341 HydrophobicContact SD-CG1 4.35Å; M1-R343 HydrophobicContact CG-CG 3.76Å; M1-R343 WeakPolarHBondContact SD-CD 3.18Å; M1-R343 HydrophobicContact SD-CG 3.65Å | |||
| 2 | R | 89.1 | Confident | 90.7 | Very high | 79 Ų | 79 | 70.6 Ų | 70.6 | 30% | 0.298 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 140.6 | -177.7 | 164.7 | -179.5 | 147.3 | -155 | -4.2 | 108.8 | V4 V341 V342 R343 R388 | R2-V4 HydrophobicContact CG-CG1 4.36Å; R2-V341 PolarHBondContact N-O 3.16Å; R2-V342 CarbonylContact O-C 3.36Å; R2-V342 VanDerWaalsContact O-CA 3.32Å; R2-V342 WeakPolarHBondContact O-CA 3.22Å; R2-R343 PolarHBondContact O-N 2.96Å; R2-R388 PolarHBondContact NH1-O 2.81Å |
| 3 | S | 90.3 | Very high | 90.9 | Very high | 90 Ų | 90 | 73.5 Ų | 73.5 | 63% | 0.629 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94 | 142.6 | 170.3 | -176.4 | 0 | 0 | 0 | 0 | 109.8 | R343 | S3-R343 CarbonylContact C-O 3.51Å; S3-R343 WeakPolarHBondContact CA-O 3.31Å |
| 4 | V | 92 | Very high | 91 | Very high | 16 Ų | 16 | 68.8 Ų | 68.8 | 10% | 0.097 | 37% | 0.368 | C | S | . | . | trans | -127.6 | 162.4 | 174.2 | -63.5 | 0 | 0 | 0 | 0 | 109.8 | R2 Y6 V342 R343 F344 L386 | R2-V4 HydrophobicContact CG-CG1 4.36Å; V4-Y6 HydrophobicContact CG2-CE2 3.92Å; V4-V342 HydrophobicContact CB-CG1 4.06Å; V4-V342 HydrophobicContact CG1-CG1 3.53Å; V4-V342 HydrophobicContact CG2-CG1 3.38Å; V4-R343 PolarHBondContact N-O 3.47Å; V4-F344 HydrophobicContact CG2-CB 4.13Å; V4-L386 HydrophobicContact CB-CD2 4.45Å; V4-L386 HydrophobicContact CG1-CD2 3.97Å | ||
| 5 | S | 89.8 | Confident | 90.7 | Very high | 102 Ų | 102 | 69.9 Ų | 69.9 | 71% | 0.713 | 38% | 0.384 | S | S | * | . | trans | -134.1 | 123.1 | 174.5 | -56.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 6 | Y | 90.3 | Very high | 90.5 | Very high | 27 Ų | 27 | 67.1 Ų | 67.1 | 11% | 0.106 | 38% | 0.376 | C | S | . | . | trans | -92.3 | 129.9 | 171.7 | -60.9 | -67.7 | 0 | 0 | 0 | 109.3 | V4 I334 F344 L369 V384 L386 | V4-Y6 HydrophobicContact CG2-CE2 3.92Å; Y6-I334 HydrophobicContact CE2-CD1 4.47Å; Y6-F344 HydrophobicContact CD2-CB 4.31Å; Y6-F344 AromaticContact CD2-CD1 3.84Å; Y6-F344 HydrophobicContact CD2-CD1 3.84Å; Y6-F344 AromaticContact CD2-CD2 3.69Å; Y6-F344 HydrophobicContact CD2-CD2 3.69Å; Y6-F344 HydrophobicContact CD2-CE1 4.06Å; Y6-F344 AromaticContact CD2-CE2 3.93Å; Y6-F344 HydrophobicContact CD2-CE2 3.93Å; Y6-F344 AromaticContact CD2-CG 3.66Å; Y6-F344 HydrophobicContact CD2-CG 3.66Å; Y6-F344 HydrophobicContact CD2-CZ 4.12Å; Y6-F344 HydrophobicContact CE2-CB 4.09Å; Y6-F344 HydrophobicContact CE2-CD1 4.26Å; Y6-F344 HydrophobicContact CE2-CD2 4.27Å; Y6-F344 AromaticContact CE2-CG 3.94Å; Y6-F344 HydrophobicContact CE2-CG 3.94Å; Y6-L369 HydrophobicContact CD2-CD1 4.4Å; Y6-L369 HydrophobicContact CE2-CD1 4.13Å; Y6-V384 HydrophobicContact CD1-CG1 4.5Å; Y6-V384 HydrophobicContact CD2-CG1 4.4Å; Y6-V384 HydrophobicContact CE1-CB 4.41Å; Y6-V384 HydrophobicContact CE1-CG1 3.89Å; Y6-V384 HydrophobicContact CE2-CG1 3.76Å; Y6-V384 VanDerWaalsContact CZ-CG1 3.47Å; Y6-L386 HydrophobicContact CE1-CD2 4.15Å; Y6-L386 WeakPolarHBondContact OH-CG 3.23Å | ||
| 7 | V | 83.7 | Confident | 90.6 | Very high | 131 Ų | 131 | 64.9 Ų | 64.9 | 79% | 0.794 | 37% | 0.367 | S | S | * | . | trans | -97 | -36.3 | -175.8 | -178.7 | 0 | 0 | 0 | 0 | 111.2 | R9 | V7-R9 PolarHBondContact O-N 3.13Š| ||
| 8 | Q | 90.6 | Very high | 90.9 | Very high | 69 Ų | 69 | 61.6 Ų | 61.6 | 32% | 0.322 | 35% | 0.348 | S | S | . | . | trans | -73.8 | 109.1 | -177.7 | -66.3 | -171.7 | 11.9 | 0 | 0 | 110.1 | Y381 W382 E383 | Q8-Y381 WeakPolarHBondContact O-CA 3.46Å; Q8-W382 HydrophobicContact CB-CD2 4.12Å; Q8-W382 HydrophobicContact CB-CG 4.42Å; Q8-W382 HydrophobicContact CB-CZ2 3.92Å; Q8-W382 WeakPolarHBondContact CB-O 3.46Å; Q8-W382 HydrophobicContact CG-CH2 4.26Å; Q8-W382 HydrophobicContact CG-CZ2 4.02Å; Q8-W382 PolarHBondContact O-N 3.21Å; Q8-E383 VanDerWaalsContact CD-OE2 3.3Å; Q8-E383 PolarHBondContact NE2-OE2 2.85Å; Q8-E383 VanDerWaalsContact OE1-CB 3.29Å; Q8-E383 VanDerWaalsContact OE1-CD 3.3Å; Q8-E383 PolarHBondContact OE1-OE2 2.92Å | ||
| 9 | R | 93.6 | Very high | 91.1 | Very high | 135 Ų | 135 | 62.6 Ų | 62.6 | 51% | 0.509 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 151.8 | 177.7 | 70.9 | 177.7 | -174.4 | 146.9 | -0.1 | 112.7 | V7 Y379 V380 Y381 | V7-R9 PolarHBondContact O-N 3.13Å; R9-Y379 VanDerWaalsContact NH1-CE1 3.29Å; R9-V380 CarbonylContact C-O 3.39Å; R9-V380 WeakPolarHBondContact CA-O 3.29Å; R9-Y381 HydrophobicContact CB-CD1 3.77Å; R9-Y381 HydrophobicContact CB-CE1 3.84Å; R9-Y381 HydrophobicContact CB-CG 4.17Å; R9-Y381 HydrophobicContact CG-CE1 4.34Å |
| 10 | V | 95.4 | Very high | 91.2 | Very high | 20 Ų | 20 | 62.7 Ų | 62.7 | 12% | 0.121 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 143.6 | 169.5 | -178.7 | 0 | 0 | 0 | 0 | 108.3 | L12 D51 Y379 V380 | V10-L12 HydrophobicContact CG1-CD2 3.72Å; V10-D51 HydrophobicContact CG1-CB 4.35Å; V10-D51 HydrophobicContact CG2-CB 3.83Å; V10-Y379 WeakPolarHBondContact O-CA 3.49Å; V10-V380 PolarHBondContact N-O 2.86Å; V10-V380 PolarHBondContact O-N 2.97Å |
| 11 | A | 95.6 | Very high | 91.4 | Very high | 45 Ų | 45 | 62.4 Ų | 62.4 | 37% | 0.372 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 120 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | I378 Y379 | A11-I378 CarbonylContact C-O 3.55Å; A11-I378 WeakPolarHBondContact CA-O 3.45Å; A11-Y379 HydrophobicContact CB-CD1 3.93Å; A11-Y379 HydrophobicContact CB-CE1 3.83Å |
| 12 | L | 96.2 | Very high | 92.1 | Very high | 3 Ų | 3 | 56.2 Ų | 56.2 | 2% | 0.016 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 139.9 | 179.1 | -42 | 173.5 | 0 | 0 | 0 | 109.9 | V10 F14 L36 Y48 D52 S53 I378 V380 | V10-L12 HydrophobicContact CG1-CD2 3.72Å; L12-F14 PolarHBondContact O-N 2.86Å; L12-L36 HydrophobicContact CD1-CD2 3.59Å; L12-Y48 HydrophobicContact CB-CD1 3.95Å; L12-Y48 HydrophobicContact CB-CE1 3.87Å; L12-Y48 HydrophobicContact CD1-CD1 3.87Å; L12-Y48 HydrophobicContact CD1-CD2 4.44Å; L12-Y48 HydrophobicContact CD1-CE1 4.46Å; L12-Y48 HydrophobicContact CD1-CG 3.87Å; L12-Y48 HydrophobicContact CD2-CD1 4.41Å; L12-Y48 HydrophobicContact CG-CD1 4.3Å; L12-D52 VanDerWaalsContact CD2-O 3.3Å; L12-D52 WeakPolarHBondContact CD2-O 3.37Å; L12-S53 WeakPolarHBondContact CA-O 3.24Å; L12-I378 HydrophobicContact CB-CB 4.16Å; L12-I378 HydrophobicContact CD1-CB 4.42Å; L12-I378 HydrophobicContact CD1-CG2 4.31Å; L12-I378 PolarHBondContact N-O 2.79Å; L12-I378 PolarHBondContact O-N 3.47Å; L12-I378 VanDerWaalsContact O-N 3.16Å; L12-V380 HydrophobicContact CD1-CG2 3.71Å; L12-V380 HydrophobicContact CG-CG2 4.27Å |
| 13 | E | 93.6 | Very high | 92.5 | Very high | 109 Ų | 109 | 53 Ų | 53 | 51% | 0.509 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 115.2 | 175.9 | -63.5 | -173.5 | 155.4 | 0 | 0 | 109.3 | Y48 S53 R54 | E13-Y48 PolarHBondContact O-OH 2.95Å; E13-S53 PolarHBondContact N-O 3.07Å; E13-R54 WeakPolarHBondContact OE2-CG 3.39Å; E13-R54 IonicContact OE2-NE 3.18Å; E13-R54 PolarHBondContact OE2-NE 2.85Å |
| 14 | F | 92.9 | Very high | 92.9 | Very high | 7 Ų | 7 | 49.7 Ų | 49.7 | 3% | 0.031 | 28% | 0.282 | C | S | . | . | trans | -129.5 | 109.9 | 176.6 | 170.9 | -106 | 0 | 0 | 0 | 110.3 | L12 G16 L18 V38 D40 Q376 I378 | L12-F14 PolarHBondContact O-N 2.86Å; F14-G16 VanDerWaalsContact CE1-C 3.45Å; F14-G16 WeakPolarHBondContact CE1-O 3.38Å; F14-L18 HydrophobicContact CD1-CD2 4.41Å; F14-L18 HydrophobicContact CE1-CD2 3.64Å; F14-L18 HydrophobicContact CE2-CD2 4.24Å; F14-L18 HydrophobicContact CZ-CB 4.36Å; F14-L18 HydrophobicContact CZ-CD2 3.53Å; F14-L18 HydrophobicContact CZ-CG 4.49Å; F14-V38 HydrophobicContact CD2-CG1 4Å; F14-V38 HydrophobicContact CE2-CG1 3.58Å; F14-V38 HydrophobicContact CZ-CG1 4.12Å; F14-D40 HydrophobicContact CE2-CB 4.08Å; F14-D40 HydrophobicContact CZ-CB 3.93Å; F14-Q376 CarbonylContact O-C 3.52Å; F14-Q376 WeakPolarHBondContact O-CA 3.28Å; F14-Q376 VanDerWaalsContact O-CB 3.24Å; F14-Q376 WeakPolarHBondContact O-CB 3.18Å; F14-I378 HydrophobicContact CB-CD1 3.72Å; F14-I378 HydrophobicContact CB-CG1 3.75Å; F14-I378 HydrophobicContact CD2-CD1 4.29Å; F14-I378 HydrophobicContact CG-CD1 4Å; F14-I378 HydrophobicContact CG-CG1 4.22Å | ||
| 15 | S | 86.1 | Confident | 93.2 | Very high | 85 Ų | 85 | 50.5 Ų | 50.5 | 59% | 0.594 | 29% | 0.285 | S | S | * | . | trans | -92.5 | 112.1 | 173.2 | 59.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 16 | G | 88 | Confident | 93.5 | Very high | 26 Ų | 26 | 46 Ų | 46 | 27% | 0.268 | 26% | 0.256 | S | S | . | . | S | Bend | trans | 146.6 | -165.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | F14 | F14-G16 VanDerWaalsContact CE1-C 3.45Å; F14-G16 WeakPolarHBondContact CE1-O 3.38Å |
| 17 | S | 92.4 | Very high | 93.9 | Very high | 30 Ų | 30 | 45.7 Ų | 45.7 | 21% | 0.21 | 26% | 0.255 | C | S | . | . | trans | -134.3 | 145.8 | 178.7 | 157.8 | 0 | 0 | 0 | 0 | 107.4 | D40 T41 R351 | S17-D40 CarbonylContact O-C 3.58Å; S17-D40 VanDerWaalsContact O-CA 3.28Å; S17-D40 WeakPolarHBondContact O-CA 3.35Å; S17-D40 WeakPolarHBondContact O-CB 2.96Å; S17-T41 WeakPolarHBondContact O-CG2 3.3Å; S17-T41 PolarHBondContact O-N 3.39Å; S17-T41 PolarHBondContact O-OG1 2.93Å; S17-R351 PolarHBondContact OG-NH1 2.87Å; S17-R351 PolarHBondContact OG-NH2 3.13Å | ||
| 18 | L | 94.9 | Very high | 94.4 | Very high | 5 Ų | 5 | 39.4 Ų | 39.4 | 3% | 0.026 | 22% | 0.218 | C | C | . | . | trans | -139.4 | 158.4 | 179.6 | 67.6 | 101.9 | 0 | 0 | 0 | 112.3 | F14 A22 I23 V38 G39 R351 A352 V372 | F14-L18 HydrophobicContact CD1-CD2 4.41Å; F14-L18 HydrophobicContact CE1-CD2 3.64Å; F14-L18 HydrophobicContact CE2-CD2 4.24Å; F14-L18 HydrophobicContact CZ-CB 4.36Å; F14-L18 HydrophobicContact CZ-CD2 3.53Å; F14-L18 HydrophobicContact CZ-CG 4.49Å; L18-A22 HydrophobicContact CB-CB 4.36Å; L18-I23 HydrophobicContact CD1-CG2 4.5Å; L18-V38 HydrophobicContact CD2-CG1 3.5Å; L18-G39 WeakPolarHBondContact CB-O 3.45Å; L18-R351 PolarHBondContact O-NE 2.86Å; L18-R351 VanDerWaalsContact O-NE 3.13Å; L18-A352 HydrophobicContact CD1-CB 3.39Å; L18-V372 HydrophobicContact CD2-CB 4.34Å; L18-V372 HydrophobicContact CD2-CG1 3.5Å; L18-V372 HydrophobicContact CD2-CG2 4.14Å; L18-V372 HydrophobicContact CG-CG1 4.2Å | ||
| 19 | F | 94.9 | Very high | 94.7 | Very high | 81 Ų | 81 | 36.7 Ų | 36.7 | 36% | 0.355 | 21% | 0.205 | S | C | . | . | trans | -84.3 | 152.3 | 169.7 | -71.5 | -86.3 | 0 | 0 | 0 | 110.4 | H21 A22 T41 M64 L65 T66 | F19-H21 PolarHBondContact O-N 3.09Å; F19-A22 HydrophobicContact CB-CB 4.39Å; F19-A22 WeakPolarHBondContact O-CB 3.41Å; F19-A22 PolarHBondContact O-N 3.48Å; F19-T41 HydrophobicContact CD2-CG2 4.01Å; F19-T41 HydrophobicContact CE2-CG2 3.74Å; F19-M64 HydrophobicContact CE2-CG 3.76Å; F19-M64 HydrophobicContact CE2-SD 3.49Å; F19-M64 WeakPolarHBondContact CE2-SD 3.45Å; F19-M64 HydrophobicContact CZ-SD 3.67Å; F19-L65 VanDerWaalsContact CD2-O 3.22Å; F19-L65 WeakPolarHBondContact CD2-O 3.36Å; F19-T66 HydrophobicContact CD2-CG2 4.05Å; F19-T66 HydrophobicContact CE2-CG2 3.95Å; F19-T66 HydrophobicContact CZ-CG2 4.4Å | ||
| 20 | P | 92.9 | Very high | 94.7 | Very high | 63 Ų | 63 | 32.8 Ų | 32.8 | 41% | 0.409 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -33.5 | -176 | -29.6 | 36.4 | 0 | 0 | 0 | 115.4 | I23 | P20-I23 WeakPolarHBondContact O-CG2 3.37Š|
| 21 | H | 95.4 | Very high | 94.7 | Very high | 57 Ų | 57 | 34.8 Ų | 34.8 | 26% | 0.264 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 6.3 | -179.8 | -66.5 | -63.9 | 0 | 0 | 0 | 114.2 | F19 I23 T66 C67 V68 K128 D184 | F19-H21 PolarHBondContact O-N 3.09Å; H21-I23 VanDerWaalsContact C-N 3.26Å; H21-I23 PolarHBondContact O-N 2.95Å; H21-T66 CarbonylContact C-O 3.43Å; H21-C67 WeakPolarHBondContact O-CA 3.46Å; H21-V68 PolarHBondContact O-N 3.11Å; H21-K128 PolarHBondContact CD2-O 3.02Å; H21-D184 PolarHBondContact NE2-O 3.43Å |
| 22 | A | 97.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -93.7 | 31.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L18 F19 G39 V68 | L18-A22 HydrophobicContact CB-CB 4.36Å; F19-A22 HydrophobicContact CB-CB 4.39Å; F19-A22 WeakPolarHBondContact O-CB 3.41Å; F19-A22 PolarHBondContact O-N 3.48Å; A22-G39 WeakPolarHBondContact CB-O 3.05Å; A22-G39 PolarHBondContact O-N 2.77Å; A22-V68 WeakPolarHBondContact O-CG2 3.37Å |
| 23 | I | 97.6 | Very high | 94.7 | Very high | 13 Ų | 13 | 39.1 Ų | 39.1 | 7% | 0.067 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 138.3 | 174.5 | -179.2 | 165.8 | 0 | 0 | 0 | 109.2 | L18 P20 H21 L36 V37 V38 A352 C354 V370 V372 | L18-I23 HydrophobicContact CD1-CG2 4.5Å; P20-I23 WeakPolarHBondContact O-CG2 3.37Å; H21-I23 VanDerWaalsContact C-N 3.26Å; H21-I23 PolarHBondContact O-N 2.95Å; I23-L36 HydrophobicContact CD1-CD1 3.9Å; I23-L36 HydrophobicContact CG1-CD1 3.79Å; I23-V37 WeakPolarHBondContact CA-O 3.49Å; I23-V38 HydrophobicContact CD1-CG2 4.32Å; I23-V38 HydrophobicContact CG1-CG2 4.26Å; I23-A352 HydrophobicContact CG2-CB 4.14Å; I23-C354 HydrophobicContact CD1-CB 4.37Å; I23-C354 HydrophobicContact CG1-CB 4.24Å; I23-C354 HydrophobicContact CG2-CB 4.31Å; I23-V370 HydrophobicContact CD1-CG1 3.85Å; I23-V372 HydrophobicContact CD1-CG2 3.46Å; I23-V372 VanDerWaalsContact CD1-CG2 3.46Å |
| 24 | C | 97.7 | Very high | 94.9 | Very high | 20 Ų | 20 | 35.6 Ų | 35.6 | 14% | 0.135 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 161.5 | 172.5 | 67.1 | 0 | 0 | 0 | 0 | 111.9 | V37 V68 | C24-V37 PolarHBondContact N-O 3.4Å; C24-V37 PolarHBondContact O-N 3.45Å; C24-V68 HydrophobicContact CB-CG2 4.48Å |
| 25 | L | 98.1 | Very high | 95.1 | Very high | 32 Ų | 32 | 35.3 Ų | 35.3 | 17% | 0.168 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 134.9 | 170.7 | -67.1 | 172.7 | 0 | 0 | 0 | 108.9 | E35 L36 Y358 V370 | L25-E35 WeakPolarHBondContact CA-O 3.27Å; L25-L36 HydrophobicContact CD2-CB 3.88Å; L25-L36 HydrophobicContact CD2-CD1 3.77Å; L25-L36 HydrophobicContact CD2-CG 4.43Å; L25-Y358 HydrophobicContact CD2-CD2 3.79Å; L25-Y358 HydrophobicContact CD2-CG 4.11Å; L25-V370 HydrophobicContact CD1-CG2 4.27Å; L25-V370 HydrophobicContact CD2-CG2 4.35Å |
| 26 | G | 97.2 | Very high | 95.7 | Very high | 9 Ų | 9 | 31.2 Ų | 31.2 | 9% | 0.093 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.7 | 157.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | V28 E35 | G26-V28 PolarHBondContact O-N 3.02Å; G26-V28 VanDerWaalsContact O-N 3.12Å; G26-E35 PolarHBondContact N-O 2.89Å; G26-E35 PolarHBondContact O-N 2.93Å |
| 27 | D | 97.1 | Very high | 96.2 | Very high | 19 Ų | 19 | 30 Ų | 30 | 10% | 0.102 | 17% | 0.168 | C | C | . | . | trans | -72.5 | 96.3 | 177.2 | 175.1 | 9.3 | 0 | 0 | 0 | 110.4 | N30 D31 T32 L33 N34 V70 N79 | D27-N30 WeakPolarHBondContact OD1-CA 3.25Å; D27-N30 PolarHBondContact OD1-N 3.22Å; D27-N30 WeakPolarHBondContact OD2-CA 3.26Å; D27-D31 PolarHBondContact OD1-N 3.09Å; D27-T32 WeakPolarHBondContact OD2-CA 3.35Å; D27-T32 PolarHBondContact OD2-N 3.35Å; D27-L33 VanDerWaalsContact CA-O 3.29Å; D27-L33 WeakPolarHBondContact CA-O 3.26Å; D27-L33 WeakPolarHBondContact CB-O 3.42Å; D27-N34 PolarHBondContact N-OD1 3.15Å; D27-V70 WeakPolarHBondContact O-CG1 3.37Å; D27-N79 WeakPolarHBondContact O-CB 3.17Å; D27-N79 PolarHBondContact O-ND2 3.46Å | ||
| 28 | V | 96.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -90.5 | -27.5 | -170.6 | 79.8 | 0 | 0 | 0 | 0 | 112.6 | G26 E35 V37 V47 W56 V70 L81 L95 | G26-V28 PolarHBondContact O-N 3.02Å; G26-V28 VanDerWaalsContact O-N 3.12Å; V28-E35 HydrophobicContact CG1-CB 4Å; V28-E35 HydrophobicContact CG1-CG 3.92Å; V28-E35 WeakPolarHBondContact CG1-OE2 3.44Å; V28-E35 PolarHBondContact N-OE2 3.16Å; V28-V37 HydrophobicContact CG2-CG2 4.48Å; V28-V47 HydrophobicContact CG1-CG1 3.85Å; V28-W56 HydrophobicContact CG1-CZ3 4.26Å; V28-V70 HydrophobicContact CB-CG1 4.38Å; V28-V70 HydrophobicContact CB-CG2 4.34Å; V28-V70 HydrophobicContact CG2-CG1 4.45Å; V28-V70 HydrophobicContact CG2-CG2 4.08Å; V28-L81 HydrophobicContact CG2-CB 3.68Å; V28-L95 HydrophobicContact CG1-CD1 4.2Å; V28-L95 HydrophobicContact CG2-CB 4.47Å; V28-L95 HydrophobicContact CG2-CD1 3.76Å; V28-L95 HydrophobicContact CG2-CG 4.35Å |
| 29 | D | 94.9 | Very high | 96.5 | Very high | 12 Ų | 12 | 28.3 Ų | 28.3 | 6% | 0.064 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -101.9 | 1.4 | 179.8 | 69.4 | 2 | 0 | 0 | 0 | 113.4 | D31 K49 W56 L95 | D29-D31 WeakPolarHBondContact OD1-CB 3.22Å; D29-D31 PolarHBondContact OD1-N 3.36Å; D29-K49 IonicContact OD1-NZ 2.78Å; D29-K49 PolarHBondContact OD1-NZ 3.18Å; D29-K49 IonicContact OD2-NZ 2.75Å; D29-K49 PolarHBondContact OD2-NZ 3.34Å; D29-W56 HydrophobicContact CB-CH2 3.9Å; D29-W56 HydrophobicContact CB-CZ3 4.28Å; D29-L95 WeakPolarHBondContact CB-O 3.22Å |
| 30 | N | 95.4 | Very high | 96.5 | Very high | 52 Ų | 52 | 24.7 Ų | 24.7 | 28% | 0.278 | 14% | 0.14 | S | C | . | . | S | Bend | trans | 66.2 | 37.1 | 176.8 | -61.3 | -107.5 | 0 | 0 | 0 | 112.7 | D27 N79 T96 | D27-N30 WeakPolarHBondContact OD1-CA 3.25Å; D27-N30 PolarHBondContact OD1-N 3.22Å; D27-N30 WeakPolarHBondContact OD2-CA 3.26Å; N30-N79 PolarHBondContact ND2-O 3.23Å; N30-N79 PolarHBondContact OD1-N 2.96Å; N30-T96 PolarHBondContact ND2-OG1 3.02Å |
| 31 | D | 95.3 | Very high | 96.7 | Very high | 63 Ų | 63 | 23.7 Ų | 23.7 | 34% | 0.337 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -100.2 | 6.4 | 177.5 | 84.3 | -5.1 | 0 | 0 | 0 | 113.9 | D27 D29 L33 K49 | D27-D31 PolarHBondContact OD1-N 3.09Å; D29-D31 WeakPolarHBondContact OD1-CB 3.22Å; D29-D31 PolarHBondContact OD1-N 3.36Å; D31-L33 PolarHBondContact O-N 3.06Å; D31-L33 WeakPolarHBondContact OD1-CA 3.45Å; D31-L33 WeakPolarHBondContact OD1-CB 3.28Å; D31-L33 PolarHBondContact OD1-N 3.01Å; D31-K49 IonicContact OD1-NZ 2.69Å; D31-K49 IonicContact OD2-NZ 3.27Å; D31-K49 PolarHBondContact OD2-NZ 3.16Å |
| 32 | T | 95.1 | Very high | 96.7 | Very high | 108 Ų | 108 | 25.3 Ų | 25.3 | 66% | 0.663 | 15% | 0.151 | S | C | * | . | S | Bend | trans | 73.2 | -0.8 | -176 | 74.3 | 0 | 0 | 0 | 0 | 115.9 | D27 N365 | D27-T32 WeakPolarHBondContact OD2-CA 3.35Å; D27-T32 PolarHBondContact OD2-N 3.35Å; T32-N365 PolarHBondContact O-ND2 2.93Å |
| 33 | L | 96.7 | Very high | 96.5 | Very high | 31 Ų | 31 | 25.5 Ų | 25.5 | 16% | 0.162 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -100.8 | 141.1 | 173.1 | -57.9 | 179.5 | 0 | 0 | 0 | 109.4 | D27 D31 A359 G363 | D27-L33 VanDerWaalsContact CA-O 3.29Å; D27-L33 WeakPolarHBondContact CA-O 3.26Å; D27-L33 WeakPolarHBondContact CB-O 3.42Å; D31-L33 PolarHBondContact O-N 3.06Å; D31-L33 WeakPolarHBondContact OD1-CA 3.45Å; D31-L33 WeakPolarHBondContact OD1-CB 3.28Å; D31-L33 PolarHBondContact OD1-N 3.01Å; L33-A359 HydrophobicContact CB-CB 3.62Å; L33-A359 HydrophobicContact CD1-CB 4.34Å; L33-A359 HydrophobicContact CD2-CB 4.06Å; L33-A359 HydrophobicContact CG-CB 4.22Å; L33-G363 VanDerWaalsContact CD2-O 3.32Å; L33-G363 WeakPolarHBondContact CD2-O 3.49Å |
| 34 | N | 97.1 | Very high | 96.4 | Very high | 34 Ų | 34 | 27.8 Ų | 27.8 | 18% | 0.182 | 16% | 0.162 | C | C | . | . | P | Polyproline II helix | trans | -89.8 | 129 | -178.3 | -70.3 | -15.7 | 0 | 0 | 0 | 110.9 | D27 L357 Y358 A359 N365 | D27-N34 PolarHBondContact N-OD1 3.15Å; N34-L357 WeakPolarHBondContact CB-O 3.33Å; N34-L357 WeakPolarHBondContact ND2-CB 3.02Å; N34-L357 PolarHBondContact ND2-O 2.83Å; N34-Y358 WeakPolarHBondContact O-CD2 3.32Å; N34-A359 PolarHBondContact O-N 2.89Å; N34-A359 VanDerWaalsContact O-N 3.08Å; N34-N365 WeakPolarHBondContact CB-OD1 3.29Å; N34-N365 PolarHBondContact N-OD1 3.34Å |
| 35 | E | 97.5 | Very high | 96.4 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 166.3 | 169.4 | -70.5 | 70.1 | -143.9 | 0 | 0 | 111.9 | L25 G26 V28 V47 Y48 K49 | L25-E35 WeakPolarHBondContact CA-O 3.27Å; G26-E35 PolarHBondContact N-O 2.89Å; G26-E35 PolarHBondContact O-N 2.93Å; V28-E35 HydrophobicContact CG1-CB 4Å; V28-E35 HydrophobicContact CG1-CG 3.92Å; V28-E35 WeakPolarHBondContact CG1-OE2 3.44Å; V28-E35 PolarHBondContact N-OE2 3.16Å; E35-V47 HydrophobicContact CB-CG1 3.89Å; E35-V47 HydrophobicContact CG-CG1 4.1Å; E35-Y48 WeakPolarHBondContact CB-O 3.18Å; E35-K49 HydrophobicContact CG-CB 4.12Å; E35-K49 HydrophobicContact CG-CD 4.26Å; E35-K49 HydrophobicContact CG-CG 4.02Å; E35-K49 IonicContact OE1-NZ 3.4Å; E35-K49 PolarHBondContact OE1-NZ 2.84Å |
| 36 | L | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 121.4 | 170 | 170.8 | 66.7 | 0 | 0 | 0 | 109.4 | L12 I23 L25 V38 V47 Y48 Y358 V370 I378 V380 | L12-L36 HydrophobicContact CD1-CD2 3.59Å; I23-L36 HydrophobicContact CD1-CD1 3.9Å; I23-L36 HydrophobicContact CG1-CD1 3.79Å; L25-L36 HydrophobicContact CD2-CB 3.88Å; L25-L36 HydrophobicContact CD2-CD1 3.77Å; L25-L36 HydrophobicContact CD2-CG 4.43Å; L36-V38 HydrophobicContact CD1-CG2 4.23Å; L36-V38 HydrophobicContact CD2-CG2 4.39Å; L36-V38 HydrophobicContact CG-CG2 4.05Å; L36-V47 CarbonylContact O-C 3.55Å; L36-V47 WeakPolarHBondContact O-CA 3.2Å; L36-Y48 HydrophobicContact CD2-CD2 4.24Å; L36-Y48 HydrophobicContact CG-CD2 4.33Å; L36-Y48 PolarHBondContact N-O 3.38Å; L36-Y48 PolarHBondContact O-N 2.89Å; L36-Y358 HydrophobicContact CB-CD2 4.12Å; L36-Y358 HydrophobicContact CB-CE2 3.74Å; L36-V370 HydrophobicContact CD1-CG1 4.09Å; L36-V370 HydrophobicContact CD2-CG1 4.02Å; L36-I378 HydrophobicContact CD2-CG2 4.08Å; L36-V380 HydrophobicContact CD2-CG2 4.2Å |
| 37 | V | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 132.9 | 178.3 | 179.9 | 0 | 0 | 0 | 0 | 109.7 | I23 C24 V28 V45 V47 V68 V70 L81 | I23-V37 WeakPolarHBondContact CA-O 3.49Å; C24-V37 PolarHBondContact N-O 3.4Å; C24-V37 PolarHBondContact O-N 3.45Å; V28-V37 HydrophobicContact CG2-CG2 4.48Å; V37-V45 HydrophobicContact CG1-CG1 3.66Å; V37-V47 HydrophobicContact CG2-CG2 4.37Å; V37-V68 HydrophobicContact CG1-CB 4.23Å; V37-V68 HydrophobicContact CG1-CG2 4.1Å; V37-V70 HydrophobicContact CG2-CG2 3.88Å; V37-L81 HydrophobicContact CG1-CD1 3.5Å; V37-L81 HydrophobicContact CG2-CD1 4.39Å |
| 38 | V | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 120 | -179.6 | -174.5 | 0 | 0 | 0 | 0 | 110.3 | F14 L18 I23 L36 V45 S46 Y48 I378 | F14-V38 HydrophobicContact CD2-CG1 4Å; F14-V38 HydrophobicContact CE2-CG1 3.58Å; F14-V38 HydrophobicContact CZ-CG1 4.12Å; L18-V38 HydrophobicContact CD2-CG1 3.5Å; I23-V38 HydrophobicContact CD1-CG2 4.32Å; I23-V38 HydrophobicContact CG1-CG2 4.26Å; L36-V38 HydrophobicContact CD1-CG2 4.23Å; L36-V38 HydrophobicContact CD2-CG2 4.39Å; L36-V38 HydrophobicContact CG-CG2 4.05Å; V38-V45 CarbonylContact O-C 3.55Å; V38-V45 WeakPolarHBondContact O-CA 3.49Å; V38-S46 PolarHBondContact N-O 2.99Å; V38-S46 PolarHBondContact O-N 3.18Å; V38-Y48 HydrophobicContact CB-CE2 4.33Å; V38-Y48 HydrophobicContact CG2-CD2 4.33Å; V38-Y48 HydrophobicContact CG2-CE2 4.01Å; V38-I378 HydrophobicContact CG1-CD1 4.44Å; V38-I378 HydrophobicContact CG2-CD1 3.77Å |
| 39 | G | 96.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 133.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L18 A22 | L18-G39 WeakPolarHBondContact CB-O 3.45Å; A22-G39 WeakPolarHBondContact CB-O 3.05Å; A22-G39 PolarHBondContact O-N 2.77Å |
| 40 | D | 95.7 | Very high | 96.1 | Very high | 4 Ų | 4 | 27.8 Ų | 27.8 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | trans | -105 | 167.3 | 177 | 76.8 | 25.8 | 0 | 0 | 0 | 113.6 | F14 S17 S42 G43 K44 L65 | F14-D40 HydrophobicContact CE2-CB 4.08Å; F14-D40 HydrophobicContact CZ-CB 3.93Å; S17-D40 CarbonylContact O-C 3.58Å; S17-D40 VanDerWaalsContact O-CA 3.28Å; S17-D40 WeakPolarHBondContact O-CA 3.35Å; S17-D40 WeakPolarHBondContact O-CB 2.96Å; D40-S42 VanDerWaalsContact CG-OG 3.24Å; D40-S42 PolarHBondContact O-N 3.29Å; D40-S42 VanDerWaalsContact OD1-CA 3.27Å; D40-S42 WeakPolarHBondContact OD1-CA 3.33Å; D40-S42 VanDerWaalsContact OD1-CB 3.29Å; D40-S42 WeakPolarHBondContact OD1-CB 3.43Å; D40-S42 PolarHBondContact OD1-N 2.9Å; D40-S42 PolarHBondContact OD1-OG 3.19Å; D40-S42 PolarHBondContact OD2-OG 3Å; D40-G43 PolarHBondContact O-N 3.34Å; D40-G43 PolarHBondContact OD1-N 3.31Å; D40-G43 VanDerWaalsContact OD1-N 3.14Å; D40-K44 PolarHBondContact N-O 2.9Å; D40-K44 PolarHBondContact OD1-N 3.46Å; D40-K44 WeakPolarHBondContact OD2-CB 3.21Å; D40-L65 WeakPolarHBondContact O-CB 3.47Å; D40-L65 PolarHBondContact O-N 3.48Å | ||
| 41 | T | 95.9 | Very high | 96 | Very high | 42 Ų | 42 | 28.6 Ų | 28.6 | 26% | 0.258 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -7.6 | 179.7 | 54.2 | 0 | 0 | 0 | 0 | 114 | S17 F19 M64 | S17-T41 WeakPolarHBondContact O-CG2 3.3Å; S17-T41 PolarHBondContact O-N 3.39Å; S17-T41 PolarHBondContact O-OG1 2.93Å; F19-T41 HydrophobicContact CD2-CG2 4.01Å; F19-T41 HydrophobicContact CE2-CG2 3.74Å; T41-M64 HydrophobicContact CG2-CG 3.99Å; T41-M64 HydrophobicContact CG2-SD 4.15Å |
| 42 | S | 95.4 | Very high | 95.9 | Very high | 92 Ų | 92 | 30.1 Ų | 30.1 | 64% | 0.643 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -8.6 | 175.3 | 80.2 | 0 | 0 | 0 | 0 | 113 | D40 | D40-S42 VanDerWaalsContact CG-OG 3.24Å; D40-S42 PolarHBondContact O-N 3.29Å; D40-S42 VanDerWaalsContact OD1-CA 3.27Å; D40-S42 WeakPolarHBondContact OD1-CA 3.33Å; D40-S42 VanDerWaalsContact OD1-CB 3.29Å; D40-S42 WeakPolarHBondContact OD1-CB 3.43Å; D40-S42 PolarHBondContact OD1-N 2.9Å; D40-S42 PolarHBondContact OD1-OG 3.19Å; D40-S42 PolarHBondContact OD2-OG 3Å |
| 43 | G | 94.3 | Very high | 95.9 | Very high | 3 Ų | 3 | 27.4 Ų | 27.4 | 3% | 0.031 | 16% | 0.156 | C | C | . | . | S | Bend | trans | 96.8 | 8.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | D40 C61 G63 | D40-G43 PolarHBondContact O-N 3.34Å; D40-G43 PolarHBondContact OD1-N 3.31Å; D40-G43 VanDerWaalsContact OD1-N 3.14Å; G43-C61 WeakPolarHBondContact O-CA 3.47Å; G43-C61 VanDerWaalsContact O-CB 3.25Å; G43-C61 WeakPolarHBondContact O-CB 3.39Å; G43-C61 PolarHBondContact O-N 3.28Å; G43-G63 WeakPolarHBondContact CA-O 3.3Å |
| 44 | K | 95.5 | Very high | 95.8 | Very high | 62 Ų | 62 | 33.8 Ų | 33.8 | 27% | 0.27 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 130.9 | -178.7 | 176.6 | 176 | 160.4 | 155.4 | 0 | 110.6 | D40 S46 T58 C59 | D40-K44 PolarHBondContact N-O 2.9Å; D40-K44 PolarHBondContact OD1-N 3.46Å; D40-K44 WeakPolarHBondContact OD2-CB 3.21Å; K44-S46 WeakPolarHBondContact CE-OG 3.44Å; K44-T58 HydrophobicContact CD-CG2 3.62Å; K44-T58 VanDerWaalsContact CE-OG1 3.26Å; K44-T58 WeakPolarHBondContact CE-OG1 3.49Å; K44-T58 HydrophobicContact CG-CG2 3.62Å; K44-T58 PolarHBondContact NZ-OG1 2.78Å; K44-C59 WeakPolarHBondContact CA-O 3.47Å |
| 45 | V | 96.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 129.1 | 168 | -174.3 | 0 | 0 | 0 | 0 | 108.7 | V37 V38 T58 C59 L65 L81 A83 | V37-V45 HydrophobicContact CG1-CG1 3.66Å; V38-V45 CarbonylContact O-C 3.55Å; V38-V45 WeakPolarHBondContact O-CA 3.49Å; V45-T58 CarbonylContact O-C 3.47Å; V45-T58 VanDerWaalsContact O-CA 3.3Å; V45-T58 WeakPolarHBondContact O-CA 3.38Å; V45-C59 HydrophobicContact CB-CB 4.26Å; V45-C59 PolarHBondContact N-O 2.87Å; V45-C59 PolarHBondContact O-N 3.08Å; V45-L65 HydrophobicContact CG2-CD1 3.4Å; V45-L81 HydrophobicContact CG1-CD1 4.5Å; V45-L81 HydrophobicContact CG1-CD2 3.9Å; V45-A83 HydrophobicContact CG2-CB 4.05Å |
| 46 | S | 96.3 | Very high | 95.5 | Very high | 5 Ų | 5 | 37.2 Ų | 37.2 | 4% | 0.035 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 127.1 | 176.9 | -58 | 0 | 0 | 0 | 0 | 109.1 | V38 K44 | V38-S46 PolarHBondContact N-O 2.99Å; V38-S46 PolarHBondContact O-N 3.18Å; K44-S46 WeakPolarHBondContact CE-OG 3.44Å |
| 47 | V | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 127 | 176.7 | -176.3 | 0 | 0 | 0 | 0 | 108.3 | V28 E35 L36 V37 P55 W56 L57 L81 L95 | V28-V47 HydrophobicContact CG1-CG1 3.85Å; E35-V47 HydrophobicContact CB-CG1 3.89Å; E35-V47 HydrophobicContact CG-CG1 4.1Å; L36-V47 CarbonylContact O-C 3.55Å; L36-V47 WeakPolarHBondContact O-CA 3.2Å; V37-V47 HydrophobicContact CG2-CG2 4.37Å; V47-P55 CarbonylContact O-C 3.55Å; V47-P55 VanDerWaalsContact O-CA 3.27Å; V47-P55 WeakPolarHBondContact O-CA 3.33Å; V47-W56 HydrophobicContact CB-CE3 4.36Å; V47-W56 HydrophobicContact CG1-CE3 3.82Å; V47-W56 HydrophobicContact CG1-CZ3 4.28Å; V47-W56 PolarHBondContact O-N 2.82Å; V47-L57 HydrophobicContact CB-CB 4.23Å; V47-L57 HydrophobicContact CG2-CB 4.49Å; V47-L57 PolarHBondContact N-O 2.75Å; V47-L57 PolarHBondContact O-N 3.18Å; V47-L81 HydrophobicContact CG2-CD2 4.5Å; V47-L95 HydrophobicContact CG2-CD1 4.02Å |
| 48 | Y | 96.5 | Very high | 95 | Very high | 3 Ų | 3 | 39.5 Ų | 39.5 | 1% | 0.012 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 138.6 | 176.5 | -56.6 | -99.1 | 0 | 0 | 0 | 109.4 | L12 E13 E35 L36 V38 P55 I378 | L12-Y48 HydrophobicContact CB-CD1 3.95Å; L12-Y48 HydrophobicContact CB-CE1 3.87Å; L12-Y48 HydrophobicContact CD1-CD1 3.87Å; L12-Y48 HydrophobicContact CD1-CD2 4.44Å; L12-Y48 HydrophobicContact CD1-CE1 4.46Å; L12-Y48 HydrophobicContact CD1-CG 3.87Å; L12-Y48 HydrophobicContact CD2-CD1 4.41Å; L12-Y48 HydrophobicContact CG-CD1 4.3Å; E13-Y48 PolarHBondContact O-OH 2.95Å; E35-Y48 WeakPolarHBondContact CB-O 3.18Å; L36-Y48 HydrophobicContact CD2-CD2 4.24Å; L36-Y48 HydrophobicContact CG-CD2 4.33Å; L36-Y48 PolarHBondContact N-O 3.38Å; L36-Y48 PolarHBondContact O-N 2.89Å; V38-Y48 HydrophobicContact CB-CE2 4.33Å; V38-Y48 HydrophobicContact CG2-CD2 4.33Å; V38-Y48 HydrophobicContact CG2-CE2 4.01Å; Y48-P55 HydrophobicContact CD1-CB 4.33Å; Y48-P55 HydrophobicContact CE1-CB 4.07Å; Y48-P55 HydrophobicContact CE1-CG 4.48Å; Y48-I378 HydrophobicContact CE2-CD1 4.17Å |
| 49 | K | 94.7 | Very high | 94.8 | Very high | 29 Ų | 29 | 39.5 Ų | 39.5 | 13% | 0.126 | 21% | 0.206 | C | C | . | . | trans | -131.5 | 142.3 | -178.9 | -166.7 | 170.3 | 178.8 | 109.9 | 0 | 108.2 | D29 D31 E35 W56 | D29-K49 IonicContact OD1-NZ 2.78Å; D29-K49 PolarHBondContact OD1-NZ 3.18Å; D29-K49 IonicContact OD2-NZ 2.75Å; D29-K49 PolarHBondContact OD2-NZ 3.34Å; D31-K49 IonicContact OD1-NZ 2.69Å; D31-K49 IonicContact OD2-NZ 3.27Å; D31-K49 PolarHBondContact OD2-NZ 3.16Å; E35-K49 HydrophobicContact CG-CB 4.12Å; E35-K49 HydrophobicContact CG-CD 4.26Å; E35-K49 HydrophobicContact CG-CG 4.02Å; E35-K49 IonicContact OE1-NZ 3.4Å; E35-K49 PolarHBondContact OE1-NZ 2.84Å; K49-W56 HydrophobicContact CB-CB 4.09Å; K49-W56 HydrophobicContact CB-CG 4.39Å; K49-W56 HydrophobicContact CD-CD2 4.4Å; K49-W56 HydrophobicContact CD-CE3 4.47Å | ||
| 50 | N | 93.2 | Very high | 94.7 | Very high | 55 Ų | 55 | 41.9 Ų | 41.9 | 29% | 0.294 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | -141.6 | -179.9 | -51.5 | -50.2 | 0 | 0 | 0 | 114.4 | Y358 A359 C360 | N50-Y358 PolarHBondContact N-OH 2.82Å; N50-Y358 WeakPolarHBondContact O-CE1 3.06Å; N50-Y358 VanDerWaalsContact O-CZ 3.32Å; N50-Y358 PolarHBondContact O-OH 3.17Å; N50-A359 WeakPolarHBondContact CA-O 3.47Å; N50-A359 PolarHBondContact N-O 3.16Å; N50-C360 CarbonylContact C-O 3.57Å; N50-C360 WeakPolarHBondContact CA-O 3.37Å |
| 51 | D | 92.9 | Very high | 94.5 | Very high | 68 Ų | 68 | 42.6 Ų | 42.6 | 36% | 0.364 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 14.6 | 176.3 | 66 | -26.4 | 0 | 0 | 0 | 113.1 | V10 S53 C360 K361 | V10-D51 HydrophobicContact CG1-CB 4.35Å; V10-D51 HydrophobicContact CG2-CB 3.83Å; D51-S53 PolarHBondContact O-N 3.04Å; D51-C360 PolarHBondContact N-O 3Å; D51-C360 VanDerWaalsContact N-O 3.11Å; D51-K361 HydrophobicContact CB-CG 4.34Å; D51-K361 WeakPolarHBondContact OD2-CE 3.32Å; D51-K361 IonicContact OD2-NZ 3.49Å; D51-K361 PolarHBondContact OD2-NZ 3.15Å |
| 52 | D | 94 | Very high | 94.4 | Very high | 95 Ų | 95 | 45.3 Ų | 45.3 | 51% | 0.508 | 24% | 0.238 | S | C | . | . | trans | -67.7 | 121.1 | 178.5 | -81.3 | -44.1 | 0 | 0 | 0 | 111.1 | L12 R54 | L12-D52 VanDerWaalsContact CD2-O 3.3Å; L12-D52 WeakPolarHBondContact CD2-O 3.37Å; D52-R54 PolarHBondContact O-N 2.78Å; D52-R54 VanDerWaalsContact O-N 3.13Å | ||
| 53 | S | 93.6 | Very high | 94.3 | Very high | 52 Ų | 52 | 42.2 Ų | 42.2 | 36% | 0.364 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -62.1 | -21.5 | -179.6 | 61.2 | 0 | 0 | 0 | 0 | 114.1 | L12 E13 D51 | L12-S53 WeakPolarHBondContact CA-O 3.24Å; E13-S53 PolarHBondContact N-O 3.07Å; D51-S53 PolarHBondContact O-N 3.04Å |
| 54 | R | 94.6 | Very high | 94.4 | Very high | 164 Ų | 164 | 45.5 Ų | 45.5 | 62% | 0.619 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -107 | 152.7 | -177.7 | -72.6 | -178.2 | 179.7 | 171.5 | 4.9 | 110.3 | E13 D52 W56 | E13-R54 WeakPolarHBondContact OE2-CG 3.39Å; E13-R54 IonicContact OE2-NE 3.18Å; E13-R54 PolarHBondContact OE2-NE 2.85Å; D52-R54 PolarHBondContact O-N 2.78Å; D52-R54 VanDerWaalsContact O-N 3.13Å; R54-W56 PolarHBondContact O-N 2.8Å |
| 55 | P | 94.5 | Very high | 94.5 | Very high | 38 Ų | 38 | 42.5 Ų | 42.5 | 25% | 0.247 | 22% | 0.223 | C | C | . | . | trans | -61.5 | 133.6 | 175.7 | 26.2 | -34.1 | 0 | 0 | 0 | 110.6 | V47 Y48 L57 | V47-P55 CarbonylContact O-C 3.55Å; V47-P55 VanDerWaalsContact O-CA 3.27Å; V47-P55 WeakPolarHBondContact O-CA 3.33Å; Y48-P55 HydrophobicContact CD1-CB 4.33Å; Y48-P55 HydrophobicContact CE1-CB 4.07Å; Y48-P55 HydrophobicContact CE1-CG 4.48Å; P55-L57 VanDerWaalsContact C-N 3.3Å | ||
| 56 | W | 94 | Very high | 94.5 | Very high | 70 Ų | 70 | 43 Ų | 43 | 27% | 0.265 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -61.9 | -41.5 | 169.7 | 168.9 | 55.3 | 0 | 0 | 0 | 110.7 | V28 D29 V47 K49 R54 M111 | V28-W56 HydrophobicContact CG1-CZ3 4.26Å; D29-W56 HydrophobicContact CB-CH2 3.9Å; D29-W56 HydrophobicContact CB-CZ3 4.28Å; V47-W56 HydrophobicContact CB-CE3 4.36Å; V47-W56 HydrophobicContact CG1-CE3 3.82Å; V47-W56 HydrophobicContact CG1-CZ3 4.28Å; V47-W56 PolarHBondContact O-N 2.82Å; K49-W56 HydrophobicContact CB-CB 4.09Å; K49-W56 HydrophobicContact CB-CG 4.39Å; K49-W56 HydrophobicContact CD-CD2 4.4Å; K49-W56 HydrophobicContact CD-CE3 4.47Å; R54-W56 PolarHBondContact O-N 2.8Å; W56-M111 WeakPolarHBondContact O-CE 3.23Å |
| 57 | L | 92.7 | Very high | 94.6 | Very high | 15 Ų | 15 | 42.8 Ų | 42.8 | 8% | 0.079 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 148.5 | 179.3 | -167 | 77.7 | 0 | 0 | 0 | 111.5 | V47 P55 L95 Q115 | V47-L57 HydrophobicContact CB-CB 4.23Å; V47-L57 HydrophobicContact CG2-CB 4.49Å; V47-L57 PolarHBondContact N-O 2.75Å; V47-L57 PolarHBondContact O-N 3.18Å; P55-L57 VanDerWaalsContact C-N 3.3Å; L57-L95 HydrophobicContact CD2-CD1 3.57Å; L57-L95 HydrophobicContact CD2-CD2 3.41Å; L57-L95 VanDerWaalsContact CD2-CD2 3.41Å; L57-L95 HydrophobicContact CD2-CG 4.09Å; L57-Q115 HydrophobicContact CD1-CG 3.76Å; L57-Q115 HydrophobicContact CD2-CB 4.23Å; L57-Q115 HydrophobicContact CD2-CG 3.88Å; L57-Q115 HydrophobicContact CG-CG 4.24Å |
| 58 | T | 93.4 | Very high | 94.6 | Very high | 32 Ų | 32 | 43.2 Ų | 43.2 | 20% | 0.196 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 130.5 | 168.4 | -73.2 | 0 | 0 | 0 | 0 | 110.2 | K44 V45 | K44-T58 HydrophobicContact CD-CG2 3.62Å; K44-T58 VanDerWaalsContact CE-OG1 3.26Å; K44-T58 WeakPolarHBondContact CE-OG1 3.49Å; K44-T58 HydrophobicContact CG-CG2 3.62Å; K44-T58 PolarHBondContact NZ-OG1 2.78Å; V45-T58 CarbonylContact O-C 3.47Å; V45-T58 VanDerWaalsContact O-CA 3.3Å; V45-T58 WeakPolarHBondContact O-CA 3.38Å |
| 59 | C | 93.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 149 | 173.4 | -48.7 | 0 | 0 | 0 | 0 | 110.6 | K44 V45 F93 | K44-C59 WeakPolarHBondContact CA-O 3.47Å; V45-C59 HydrophobicContact CB-CB 4.26Å; V45-C59 PolarHBondContact N-O 2.87Å; V45-C59 PolarHBondContact O-N 3.08Å; C59-F93 HydrophobicContact CB-CD1 3.95Å; C59-F93 HydrophobicContact CB-CE1 3.52Å; C59-F93 HydrophobicContact CB-CZ 3.94Å |
| 60 | S | 93.5 | Very high | 94.9 | Very high | 51 Ų | 51 | 43.5 Ų | 43.5 | 36% | 0.357 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 125.7 | 178 | -63.9 | 0 | 0 | 0 | 0 | 110.5 | E114 | S60-E114 PolarHBondContact OG-OE2 3.33Å |
| 61 | C | 93.4 | Very high | 95 | Very high | 19 Ų | 19 | 41.3 Ų | 41.3 | 13% | 0.128 | 22% | 0.224 | C | C | . | . | trans | -113.5 | 160.3 | 178.4 | -60.7 | 0 | 0 | 0 | 0 | 111.1 | G43 L65 F93 | G43-C61 WeakPolarHBondContact O-CA 3.47Å; G43-C61 VanDerWaalsContact O-CB 3.25Å; G43-C61 WeakPolarHBondContact O-CB 3.39Å; G43-C61 PolarHBondContact O-N 3.28Å; C61-L65 HydrophobicContact CB-CD1 4.48Å; C61-L65 HydrophobicContact CB-CD2 3.79Å; C61-L65 HydrophobicContact CB-CG 4.46Å; C61-F93 VanDerWaalsContact SG-CE2 3.58Å; C61-F93 WeakPolarHBondContact SG-CZ 3.42Å | ||
| 62 | Q | 93.1 | Very high | 95.2 | Very high | 99 Ų | 99 | 39.6 Ų | 39.6 | 46% | 0.463 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -84.5 | 122.2 | 171.8 | -174.5 | 173.2 | -9.1 | 0 | 0 | 110.6 | S85 W89 H91 | Q62-S85 VanDerWaalsContact O-CB 3.31Å; Q62-S85 WeakPolarHBondContact O-CB 3.44Å; Q62-S85 PolarHBondContact O-OG 3.48Å; Q62-W89 HydrophobicContact CB-CG 4.33Å; Q62-W89 HydrophobicContact CG-CG 4.38Å; Q62-H91 PolarHBondContact N-NE2 3.4Å; Q62-H91 PolarHBondContact O-CE1 2.69Å |
| 63 | G | 93.5 | Very high | 95.3 | Very high | 27 Ų | 27 | 35.1 Ų | 35.1 | 28% | 0.278 | 19% | 0.191 | S | C | . | . | S | Bend | trans | 89.7 | -176.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | G43 E87 | G43-G63 WeakPolarHBondContact CA-O 3.3Å; G63-E87 VanDerWaalsContact CA-OE2 3.23Å; G63-E87 WeakPolarHBondContact CA-OE2 3.08Å |
| 64 | M | 96.4 | Very high | 95.4 | Very high | 71 Ų | 71 | 33 Ų | 33 | 35% | 0.35 | 18% | 0.176 | S | C | . | . | trans | -82.4 | 116.4 | -174.6 | -178.7 | -179 | -64.1 | 0 | 0 | 111 | F19 T41 T66 S85 A86 E87 | F19-M64 HydrophobicContact CE2-CG 3.76Å; F19-M64 HydrophobicContact CE2-SD 3.49Å; F19-M64 WeakPolarHBondContact CE2-SD 3.45Å; F19-M64 HydrophobicContact CZ-SD 3.67Å; T41-M64 HydrophobicContact CG2-CG 3.99Å; T41-M64 HydrophobicContact CG2-SD 4.15Å; M64-T66 PolarHBondContact O-N 3.06Å; M64-S85 CarbonylContact O-C 3.52Å; M64-S85 WeakPolarHBondContact O-CA 3.26Å; M64-A86 HydrophobicContact CB-CB 4.29Å; M64-A86 PolarHBondContact O-N 2.78Å; M64-E87 PolarHBondContact N-OE1 3.36Å; M64-E87 PolarHBondContact N-OE2 3.22Å; M64-E87 VanDerWaalsContact N-OE2 3.08Å | ||
| 65 | L | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 125.9 | -176.9 | -60.8 | 176.5 | 0 | 0 | 0 | 111.9 | F19 D40 V45 C61 A83 | F19-L65 VanDerWaalsContact CD2-O 3.22Å; F19-L65 WeakPolarHBondContact CD2-O 3.36Å; D40-L65 WeakPolarHBondContact O-CB 3.47Å; D40-L65 PolarHBondContact O-N 3.48Å; V45-L65 HydrophobicContact CG2-CD1 3.4Å; C61-L65 HydrophobicContact CB-CD1 4.48Å; C61-L65 HydrophobicContact CB-CD2 3.79Å; C61-L65 HydrophobicContact CB-CG 4.46Å; L65-A83 HydrophobicContact CD2-CB 4.02Å |
| 66 | T | 97.4 | Very high | 95.3 | Very high | 9 Ų | 9 | 30.6 Ų | 30.6 | 6% | 0.055 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | -30.2 | 177.5 | 57.2 | 0 | 0 | 0 | 0 | 112.8 | F19 H21 M64 V84 A86 T127 | F19-T66 HydrophobicContact CD2-CG2 4.05Å; F19-T66 HydrophobicContact CE2-CG2 3.95Å; F19-T66 HydrophobicContact CZ-CG2 4.4Å; H21-T66 CarbonylContact C-O 3.43Å; M64-T66 PolarHBondContact O-N 3.06Å; T66-V84 PolarHBondContact N-O 3.25Å; T66-V84 PolarHBondContact OG1-O 3.19Å; T66-A86 HydrophobicContact CG2-CB 3.69Å; T66-T127 WeakPolarHBondContact CB-O 3.33Å; T66-T127 PolarHBondContact OG1-O 3.3Å |
| 67 | C | 97.3 | Very high | 95.2 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.007 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 144 | 178.6 | -56.4 | 0 | 0 | 0 | 0 | 111.5 | H21 V84 T127 K128 V129 M130 | H21-C67 WeakPolarHBondContact O-CA 3.46Å; C67-V84 HydrophobicContact CB-CB 4.44Å; C67-V84 PolarHBondContact N-O 2.76Å; C67-V84 PolarHBondContact O-N 3.41Å; C67-T127 HydrophobicContact CB-CG2 4.46Å; C67-K128 PolarHBondContact SG-O 2.87Å; C67-K128 VanDerWaalsContact SG-O 3.36Å; C67-V129 VanDerWaalsContact SG-CA 3.59Å; C67-M130 HydrophobicContact CB-CB 3.87Å |
| 68 | V | 98 | Very high | 95.2 | Very high | 9 Ų | 9 | 32.8 Ų | 32.8 | 6% | 0.055 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 152.3 | 167.2 | -57.8 | 0 | 0 | 0 | 0 | 109.4 | H21 A22 C24 V37 V82 A83 M130 | H21-V68 PolarHBondContact O-N 3.11Å; A22-V68 WeakPolarHBondContact O-CG2 3.37Å; C24-V68 HydrophobicContact CB-CG2 4.48Å; V37-V68 HydrophobicContact CG1-CB 4.23Å; V37-V68 HydrophobicContact CG1-CG2 4.1Å; V68-V82 CarbonylContact C-O 3.46Å; V68-V82 VanDerWaalsContact CA-O 3.26Å; V68-V82 WeakPolarHBondContact CA-O 3.49Å; V68-A83 HydrophobicContact CG1-CB 4.4Å; V68-M130 VanDerWaalsContact C-CE 3.49Å |
| 69 | G | 97.7 | Very high | 95.3 | Very high | 9 Ų | 9 | 33.4 Ų | 33.4 | 9% | 0.093 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 156.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | V82 M130 | G69-V82 PolarHBondContact N-O 2.81Å; G69-V82 PolarHBondContact O-N 3.35Å; G69-M130 VanDerWaalsContact N-CE 3.35Å |
| 70 | V | 98.1 | Very high | 95.5 | Very high | 30 Ų | 30 | 33.7 Ų | 33.7 | 18% | 0.182 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 130.4 | 175.1 | 179 | 0 | 0 | 0 | 0 | 107.6 | D27 V28 V37 N79 L80 L81 | D27-V70 WeakPolarHBondContact O-CG1 3.37Å; V28-V70 HydrophobicContact CB-CG1 4.38Å; V28-V70 HydrophobicContact CB-CG2 4.34Å; V28-V70 HydrophobicContact CG2-CG1 4.45Å; V28-V70 HydrophobicContact CG2-CG2 4.08Å; V37-V70 HydrophobicContact CG2-CG2 3.88Å; V70-N79 HydrophobicContact CG1-CB 3.95Å; V70-L80 WeakPolarHBondContact CA-O 3.23Å; V70-L81 HydrophobicContact CG2-CD1 4.37Å |
| 71 | G | 96.9 | Very high | 95.7 | Very high | 9 Ų | 9 | 31.3 Ų | 31.3 | 9% | 0.093 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 171.6 | 173.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | V73 L80 | G71-V73 PolarHBondContact O-N 3.37Å; G71-L80 PolarHBondContact N-O 3.1Å; G71-L80 PolarHBondContact O-N 2.97Å |
| 72 | D | 95.9 | Very high | 95.9 | Very high | 31 Ų | 31 | 30.4 Ų | 30.4 | 17% | 0.166 | 18% | 0.18 | C | C | . | . | trans | -79.4 | 60.6 | -179.3 | -173 | 22 | 0 | 0 | 0 | 112.8 | C74 N75 K76 G77 K78 | D72-C74 PolarHBondContact O-N 2.84Å; D72-N75 PolarHBondContact O-N 3.24Å; D72-N75 VanDerWaalsContact O-N 3.16Å; D72-N75 WeakPolarHBondContact OD1-CA 3.34Å; D72-N75 PolarHBondContact OD1-N 3.31Å; D72-N75 VanDerWaalsContact OD1-N 3.12Å; D72-K76 PolarHBondContact OD1-N 3.3Å; D72-K76 PolarHBondContact OD2-N 2.88Å; D72-G77 PolarHBondContact OD1-N 3.39Å; D72-G77 VanDerWaalsContact OD2-CA 3.24Å; D72-G77 WeakPolarHBondContact OD2-CA 3.15Å; D72-G77 PolarHBondContact OD2-N 2.66Å; D72-K78 WeakPolarHBondContact CA-O 3.32Å; D72-K78 PolarHBondContact OD1-N 3.15Å | ||
| 73 | V | 95.9 | Very high | 96.1 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.006 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -23.9 | -178.4 | 66.3 | 0 | 0 | 0 | 0 | 113.5 | G71 L80 V82 F90 L92 L143 W157 | G71-V73 PolarHBondContact O-N 3.37Å; V73-L80 HydrophobicContact CG1-CB 4.24Å; V73-L80 HydrophobicContact CG1-CD1 4.15Å; V73-V82 HydrophobicContact CB-CG2 4.26Å; V73-V82 HydrophobicContact CG1-CG2 4.06Å; V73-F90 HydrophobicContact CG2-CZ 4.36Å; V73-L92 HydrophobicContact CG1-CD1 4.34Å; V73-L92 HydrophobicContact CG1-CD2 3.7Å; V73-L143 HydrophobicContact CG2-CB 4.41Å; V73-W157 WeakPolarHBondContact O-CB 3.42Å |
| 74 | C | 95.2 | Very high | 96.3 | Very high | 9 Ų | 9 | 24.4 Ų | 24.4 | 6% | 0.061 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -2 | -180 | -68.4 | 0 | 0 | 0 | 0 | 113.7 | D72 K76 L80 W157 L167 | D72-C74 PolarHBondContact O-N 2.84Å; C74-K76 VanDerWaalsContact C-N 3.34Å; C74-K76 HydrophobicContact CB-CG 4.33Å; C74-K76 PolarHBondContact O-N 3.19Å; C74-L80 HydrophobicContact CB-CD1 4.35Å; C74-L80 VanDerWaalsContact SG-CD1 3.6Å; C74-W157 HydrophobicContact CB-CD2 4.45Å; C74-W157 HydrophobicContact CB-CG 4.18Å; C74-W157 VanDerWaalsContact SG-CE2 3.58Å; C74-L167 HydrophobicContact CB-CD2 4.4Å; C74-L167 VanDerWaalsContact SG-CD2 3.6Å |
| 75 | N | 94.7 | Very high | 96.4 | Very high | 48 Ų | 48 | 21 Ų | 21 | 26% | 0.257 | 13% | 0.128 | S | C | . | . | S | Bend | trans | 57.5 | 42.4 | -179.2 | -61.7 | -57.2 | 0 | 0 | 0 | 113.6 | D72 C140 C141 | D72-N75 PolarHBondContact O-N 3.24Å; D72-N75 VanDerWaalsContact O-N 3.16Å; D72-N75 WeakPolarHBondContact OD1-CA 3.34Å; D72-N75 PolarHBondContact OD1-N 3.31Å; D72-N75 VanDerWaalsContact OD1-N 3.12Å; N75-C140 VanDerWaalsContact OD1-CA 3.31Å; N75-C140 WeakPolarHBondContact OD1-CA 3.41Å; N75-C141 PolarHBondContact ND2-O 3.46Å; N75-C141 PolarHBondContact OD1-N 3.14Å |
| 76 | K | 92.6 | Very high | 96.3 | Very high | 103 Ų | 103 | 22 Ų | 22 | 45% | 0.448 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -114.7 | 11.1 | -179.3 | -66 | -170.9 | 175.7 | -169.6 | 0 | 112.9 | D72 C74 K78 E159 | D72-K76 PolarHBondContact OD1-N 3.3Å; D72-K76 PolarHBondContact OD2-N 2.88Å; C74-K76 VanDerWaalsContact C-N 3.34Å; C74-K76 HydrophobicContact CB-CG 4.33Å; C74-K76 PolarHBondContact O-N 3.19Å; K76-K78 VanDerWaalsContact C-N 3.26Å; K76-K78 PolarHBondContact O-N 3.11Å; K76-E159 WeakPolarHBondContact CE-OE2 3.47Å; K76-E159 IonicContact NZ-OE1 2.69Å; K76-E159 PolarHBondContact NZ-OE1 2.74Å; K76-E159 IonicContact NZ-OE2 3.82Å; K76-E159 PolarHBondContact NZ-OE2 2.9Å |
| 77 | G | 91.8 | Very high | 96.3 | Very high | 73 Ų | 73 | 25.5 Ų | 25.5 | 75% | 0.753 | 15% | 0.153 | S | C | * | . | S | Bend | trans | 69.2 | 25.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | D72 | D72-G77 PolarHBondContact OD1-N 3.39Å; D72-G77 VanDerWaalsContact OD2-CA 3.24Å; D72-G77 WeakPolarHBondContact OD2-CA 3.15Å; D72-G77 PolarHBondContact OD2-N 2.66Å |
| 78 | K | 93.7 | Very high | 96.2 | Very high | 58 Ų | 58 | 25.5 Ų | 25.5 | 25% | 0.252 | 15% | 0.152 | S | C | . | . | trans | -138 | 126.9 | -173.5 | 178.6 | 179.1 | 173.9 | 165.4 | 0 | 110.9 | D72 K76 D94 T96 | D72-K78 WeakPolarHBondContact CA-O 3.32Å; D72-K78 PolarHBondContact OD1-N 3.15Å; K76-K78 VanDerWaalsContact C-N 3.26Å; K76-K78 PolarHBondContact O-N 3.11Å; K78-D94 WeakPolarHBondContact CE-OD1 3.28Å; K78-D94 WeakPolarHBondContact CE-OD2 3.45Å; K78-D94 IonicContact NZ-OD1 2.64Å; K78-D94 PolarHBondContact NZ-OD1 3.16Å; K78-D94 IonicContact NZ-OD2 2.93Å; K78-D94 PolarHBondContact NZ-OD2 3.05Å; K78-T96 WeakPolarHBondContact CE-OG1 3.44Å; K78-T96 VanDerWaalsContact NZ-CB 3.27Å; K78-T96 PolarHBondContact NZ-OG1 3.2Å | ||
| 79 | N | 96.3 | Very high | 96.2 | Very high | 45 Ų | 45 | 27.9 Ų | 27.9 | 24% | 0.241 | 16% | 0.161 | C | C | . | . | trans | -71.2 | 133.1 | 175.1 | -66.1 | -27.1 | 0 | 0 | 0 | 111 | D27 N30 V70 | D27-N79 WeakPolarHBondContact O-CB 3.17Å; D27-N79 PolarHBondContact O-ND2 3.46Å; N30-N79 PolarHBondContact ND2-O 3.23Å; N30-N79 PolarHBondContact OD1-N 2.96Å; V70-N79 HydrophobicContact CG1-CB 3.95Å | ||
| 80 | L | 96.5 | Very high | 96.2 | Very high | 6 Ų | 6 | 27.5 Ų | 27.5 | 3% | 0.031 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 149.5 | 169.1 | -62.5 | 177.9 | 0 | 0 | 0 | 109.5 | V70 G71 V73 C74 L92 D94 L167 | V70-L80 WeakPolarHBondContact CA-O 3.23Å; G71-L80 PolarHBondContact N-O 3.1Å; G71-L80 PolarHBondContact O-N 2.97Å; V73-L80 HydrophobicContact CG1-CB 4.24Å; V73-L80 HydrophobicContact CG1-CD1 4.15Å; C74-L80 HydrophobicContact CB-CD1 4.35Å; C74-L80 VanDerWaalsContact SG-CD1 3.6Å; L80-L92 HydrophobicContact CD1-CD1 4.25Å; L80-D94 HydrophobicContact CD2-CB 3.82Å; L80-L167 HydrophobicContact CD1-CD1 4.2Å; L80-L167 HydrophobicContact CD1-CD2 4.5Å |
| 81 | L | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 123 | 169.8 | 164 | 64.4 | 0 | 0 | 0 | 109.2 | V28 V37 V45 V47 V70 L92 F93 L95 | V28-L81 HydrophobicContact CG2-CB 3.68Å; V37-L81 HydrophobicContact CG1-CD1 3.5Å; V37-L81 HydrophobicContact CG2-CD1 4.39Å; V45-L81 HydrophobicContact CG1-CD1 4.5Å; V45-L81 HydrophobicContact CG1-CD2 3.9Å; V47-L81 HydrophobicContact CG2-CD2 4.5Å; V70-L81 HydrophobicContact CG2-CD1 4.37Å; L81-L92 CarbonylContact O-C 3.59Å; L81-L92 WeakPolarHBondContact O-CA 3.39Å; L81-F93 HydrophobicContact CB-CB 4.05Å; L81-F93 HydrophobicContact CD2-CB 4.08Å; L81-F93 HydrophobicContact CD2-CD2 4.04Å; L81-F93 HydrophobicContact CD2-CG 4.21Å; L81-F93 HydrophobicContact CG-CB 4.24Å; L81-F93 HydrophobicContact CG-CD2 4.05Å; L81-F93 PolarHBondContact N-O 3.08Å; L81-F93 PolarHBondContact O-N 2.73Å; L81-L95 HydrophobicContact CD2-CD1 4.04Å |
| 82 | V | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 129.4 | 176 | -176.4 | 0 | 0 | 0 | 0 | 109.4 | V68 G69 V73 V84 F90 H91 L92 M130 I132 | V68-V82 CarbonylContact C-O 3.46Å; V68-V82 VanDerWaalsContact CA-O 3.26Å; V68-V82 WeakPolarHBondContact CA-O 3.49Å; G69-V82 PolarHBondContact N-O 2.81Å; G69-V82 PolarHBondContact O-N 3.35Å; V73-V82 HydrophobicContact CB-CG2 4.26Å; V73-V82 HydrophobicContact CG1-CG2 4.06Å; V82-V84 HydrophobicContact CG1-CG2 4.3Å; V82-F90 HydrophobicContact CG1-CD2 3.91Å; V82-F90 HydrophobicContact CG1-CE2 3.31Å; V82-F90 HydrophobicContact CG1-CZ 4.08Å; V82-H91 WeakPolarHBondContact CA-O 3.47Å; V82-L92 HydrophobicContact CB-CD2 4.42Å; V82-L92 HydrophobicContact CG2-CD2 3.69Å; V82-M130 HydrophobicContact CB-CE 3.98Å; V82-M130 HydrophobicContact CB-SD 4.36Å; V82-M130 HydrophobicContact CG1-CE 3.83Å; V82-M130 HydrophobicContact CG1-SD 3.57Å; V82-M130 VanDerWaalsContact CG1-SD 3.57Å; V82-I132 HydrophobicContact CB-CD1 4.23Å; V82-I132 HydrophobicContact CG2-CD1 3.64Å |
| 83 | A | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 129.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | V45 L65 V68 H91 F93 | V45-A83 HydrophobicContact CG2-CB 4.05Å; L65-A83 HydrophobicContact CD2-CB 4.02Å; V68-A83 HydrophobicContact CG1-CB 4.4Å; A83-H91 HydrophobicContact CB-CB 4.41Å; A83-H91 PolarHBondContact N-O 3.07Å; A83-H91 PolarHBondContact O-N 3Å; A83-H91 PolarHBondContact O-ND1 2.83Å; A83-F93 HydrophobicContact CB-CE2 4.29Å |
| 84 | V | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 132.5 | -178.8 | -174.9 | 0 | 0 | 0 | 0 | 110.7 | T66 C67 V82 W89 F90 I123 T127 M130 | T66-V84 PolarHBondContact N-O 3.25Å; T66-V84 PolarHBondContact OG1-O 3.19Å; C67-V84 HydrophobicContact CB-CB 4.44Å; C67-V84 PolarHBondContact N-O 2.76Å; C67-V84 PolarHBondContact O-N 3.41Å; V82-V84 HydrophobicContact CG1-CG2 4.3Å; V84-W89 WeakPolarHBondContact CA-O 3.5Å; V84-F90 HydrophobicContact CG2-CD2 4.04Å; V84-I123 HydrophobicContact CG1-CD1 3.89Å; V84-T127 HydrophobicContact CB-CG2 4.27Å; V84-T127 HydrophobicContact CG1-CG2 3.73Å; V84-M130 HydrophobicContact CG2-SD 3.71Å |
| 85 | S | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 156.8 | 178.1 | 95.8 | 0 | 0 | 0 | 0 | 112.9 | Q62 M64 E87 G88 W89 | Q62-S85 VanDerWaalsContact O-CB 3.31Å; Q62-S85 WeakPolarHBondContact O-CB 3.44Å; Q62-S85 PolarHBondContact O-OG 3.48Å; M64-S85 CarbonylContact O-C 3.52Å; M64-S85 WeakPolarHBondContact O-CA 3.26Å; S85-E87 WeakPolarHBondContact CB-OE2 3.43Å; S85-E87 PolarHBondContact O-N 3.22Å; S85-E87 PolarHBondContact OG-N 3.27Å; S85-E87 PolarHBondContact OG-OE2 2.93Å; S85-G88 PolarHBondContact O-N 2.8Å; S85-W89 PolarHBondContact N-O 3.34Å; S85-W89 PolarHBondContact OG-N 3.13Å |
| 86 | A | 96.3 | Very high | 95.5 | Very high | 22 Ų | 22 | 27.2 Ų | 27.2 | 18% | 0.182 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -29 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | M64 T66 G88 A125 N126 | M64-A86 HydrophobicContact CB-CB 4.29Å; M64-A86 PolarHBondContact O-N 2.78Å; T66-A86 HydrophobicContact CG2-CB 3.69Å; A86-G88 PolarHBondContact O-N 3.46Å; A86-A125 WeakPolarHBondContact O-CB 3.49Å; A86-N126 PolarHBondContact O-N 2.81Å |
| 87 | E | 96.4 | Very high | 95 | Very high | 82 Ų | 82 | 26 Ų | 26 | 38% | 0.383 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -7.3 | 177.8 | -53.3 | 80.4 | 179.4 | 0 | 0 | 112.9 | G63 M64 S85 H122 | G63-E87 VanDerWaalsContact CA-OE2 3.23Å; G63-E87 WeakPolarHBondContact CA-OE2 3.08Å; M64-E87 PolarHBondContact N-OE1 3.36Å; M64-E87 PolarHBondContact N-OE2 3.22Å; M64-E87 VanDerWaalsContact N-OE2 3.08Å; S85-E87 WeakPolarHBondContact CB-OE2 3.43Å; S85-E87 PolarHBondContact O-N 3.22Å; S85-E87 PolarHBondContact OG-N 3.27Å; S85-E87 PolarHBondContact OG-OE2 2.93Å; E87-H122 PolarHBondContact O-NE2 2.71Å |
| 88 | G | 95.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | 93.5 | 15.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | S85 A86 F90 H122 I123 | S85-G88 PolarHBondContact O-N 2.8Å; A86-G88 PolarHBondContact O-N 3.46Å; G88-F90 PolarHBondContact O-N 2.61Å; G88-H122 CarbonylContact O-C 3.55Å; G88-H122 WeakPolarHBondContact O-CA 3.47Å; G88-I123 WeakPolarHBondContact CA-O 3.35Å; G88-I123 WeakPolarHBondContact O-CG1 3.35Å; G88-I123 PolarHBondContact O-N 3.48Å | ||
| 89 | W | 97.3 | Very high | 91.5 | Very high | 60 Ų | 60 | 33.1 Ų | 33.1 | 23% | 0.227 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 120.4 | 171.5 | -69 | 106.7 | 0 | 0 | 0 | 110.8 | Q62 V84 S85 H91 H122 | Q62-W89 HydrophobicContact CB-CG 4.33Å; Q62-W89 HydrophobicContact CG-CG 4.38Å; V84-W89 WeakPolarHBondContact CA-O 3.5Å; S85-W89 PolarHBondContact N-O 3.34Å; S85-W89 PolarHBondContact OG-N 3.13Å; W89-H91 WeakPolarHBondContact CB-CE1 3.42Å; W89-H91 PolarHBondContact O-ND1 2.79Å; W89-H122 HydrophobicContact CZ3-CB 4.33Å |
| 90 | F | 97.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 127.1 | 169.8 | 172.6 | -94.3 | 0 | 0 | 0 | 109.2 | V73 V82 V84 G88 L92 F119 K120 Q121 I123 L143 L171 | V73-F90 HydrophobicContact CG2-CZ 4.36Å; V82-F90 HydrophobicContact CG1-CD2 3.91Å; V82-F90 HydrophobicContact CG1-CE2 3.31Å; V82-F90 HydrophobicContact CG1-CZ 4.08Å; V84-F90 HydrophobicContact CG2-CD2 4.04Å; G88-F90 PolarHBondContact O-N 2.61Å; F90-L92 HydrophobicContact CD1-CG 4.43Å; F90-L92 HydrophobicContact CE1-CD1 3.89Å; F90-L92 HydrophobicContact CE1-CD2 3.67Å; F90-L92 HydrophobicContact CE1-CG 3.49Å; F90-L92 VanDerWaalsContact CE1-CG 3.49Å; F90-L92 HydrophobicContact CE2-CD2 4.27Å; F90-L92 HydrophobicContact CZ-CD1 4.24Å; F90-L92 HydrophobicContact CZ-CD2 3.37Å; F90-L92 HydrophobicContact CZ-CG 3.78Å; F90-F119 HydrophobicContact CD1-CD1 4.24Å; F90-F119 HydrophobicContact CD1-CE1 4.21Å; F90-F119 HydrophobicContact CE1-CD1 4.1Å; F90-F119 HydrophobicContact CE1-CE1 4.22Å; F90-K120 CarbonylContact O-C 3.57Å; F90-K120 VanDerWaalsContact O-CA 3.23Å; F90-K120 WeakPolarHBondContact O-CA 3.42Å; F90-Q121 WeakPolarHBondContact CB-O 3.35Å; F90-Q121 HydrophobicContact CD1-CB 4.37Å; F90-Q121 PolarHBondContact N-O 3.42Å; F90-Q121 PolarHBondContact O-N 2.91Å; F90-I123 HydrophobicContact CB-CD1 4.44Å; F90-I123 HydrophobicContact CB-CG1 4.35Å; F90-I123 HydrophobicContact CB-CG2 4.18Å; F90-L143 HydrophobicContact CD2-CD2 3.86Å; F90-L143 HydrophobicContact CE2-CD1 4.44Å; F90-L143 HydrophobicContact CE2-CD2 3.42Å; F90-L143 VanDerWaalsContact CE2-CD2 3.42Å; F90-L143 HydrophobicContact CZ-CD2 4.2Å; F90-L171 HydrophobicContact CD1-CD1 3.64Å; F90-L171 HydrophobicContact CD2-CD1 3.81Å; F90-L171 HydrophobicContact CE1-CD1 3.5Å; F90-L171 VanDerWaalsContact CE1-CD1 3.5Å; F90-L171 HydrophobicContact CE1-CG 4.06Å; F90-L171 HydrophobicContact CE2-CD1 3.69Å; F90-L171 HydrophobicContact CG-CD1 3.78Å; F90-L171 HydrophobicContact CZ-CD1 3.52Å; F90-L171 HydrophobicContact CZ-CD2 4.42Å; F90-L171 HydrophobicContact CZ-CG 4.2Å |
| 91 | H | 97.3 | Very high | 86.3 | Confident | 4 Ų | 4 | 44.1 Ų | 44.1 | 2% | 0.019 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 137.7 | -179.2 | -54.1 | 88.3 | 0 | 0 | 0 | 110.3 | Q62 V82 A83 W89 F93 P117 | Q62-H91 PolarHBondContact N-NE2 3.4Å; Q62-H91 PolarHBondContact O-CE1 2.69Å; V82-H91 WeakPolarHBondContact CA-O 3.47Å; A83-H91 HydrophobicContact CB-CB 4.41Å; A83-H91 PolarHBondContact N-O 3.07Å; A83-H91 PolarHBondContact O-N 3Å; A83-H91 PolarHBondContact O-ND1 2.83Å; W89-H91 WeakPolarHBondContact CB-CE1 3.42Å; W89-H91 PolarHBondContact O-ND1 2.79Å; H91-F93 HydrophobicContact CB-CD2 4.49Å; H91-F93 HydrophobicContact CB-CE2 3.71Å; H91-F93 HydrophobicContact CB-CZ 4.28Å; H91-P117 HydrophobicContact CB-CB 4.13Å |
| 92 | L | 96.4 | Very high | 83.3 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 140.1 | 168.4 | -63.3 | -179.8 | 0 | 0 | 0 | 110.2 | V73 L80 L81 V82 F90 P117 V118 F119 W157 | V73-L92 HydrophobicContact CG1-CD1 4.34Å; V73-L92 HydrophobicContact CG1-CD2 3.7Å; L80-L92 HydrophobicContact CD1-CD1 4.25Å; L81-L92 CarbonylContact O-C 3.59Å; L81-L92 WeakPolarHBondContact O-CA 3.39Å; V82-L92 HydrophobicContact CB-CD2 4.42Å; V82-L92 HydrophobicContact CG2-CD2 3.69Å; F90-L92 HydrophobicContact CD1-CG 4.43Å; F90-L92 HydrophobicContact CE1-CD1 3.89Å; F90-L92 HydrophobicContact CE1-CD2 3.67Å; F90-L92 HydrophobicContact CE1-CG 3.49Å; F90-L92 VanDerWaalsContact CE1-CG 3.49Å; F90-L92 HydrophobicContact CE2-CD2 4.27Å; F90-L92 HydrophobicContact CZ-CD1 4.24Å; F90-L92 HydrophobicContact CZ-CD2 3.37Å; F90-L92 HydrophobicContact CZ-CG 3.78Å; L92-P117 CarbonylContact O-C 3.57Å; L92-P117 WeakPolarHBondContact O-CA 3.27Å; L92-P117 WeakPolarHBondContact O-CB 3.47Å; L92-V118 HydrophobicContact CB-CG2 4.02Å; L92-V118 VanDerWaalsContact O-CG2 3.3Å; L92-V118 WeakPolarHBondContact O-CG2 3.33Å; L92-V118 PolarHBondContact O-N 2.81Å; L92-F119 HydrophobicContact CB-CB 4.08Å; L92-F119 HydrophobicContact CD1-CB 4.09Å; L92-F119 HydrophobicContact CD1-CD1 3.97Å; L92-F119 HydrophobicContact CD1-CG 4.35Å; L92-F119 HydrophobicContact CG-CB 4.34Å; L92-F119 HydrophobicContact CG-CD1 4.25Å; L92-F119 PolarHBondContact N-O 3.09Å; L92-F119 PolarHBondContact O-N 2.71Å; L92-W157 HydrophobicContact CD1-CE3 4.4Å; L92-W157 HydrophobicContact CD1-CH2 4.06Å; L92-W157 HydrophobicContact CD1-CZ3 3.78Å |
| 93 | F | 95.3 | Very high | 80.6 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 0% | 0.004 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 130.2 | 171.5 | -59.7 | -96.1 | 0 | 0 | 0 | 109.2 | C59 C61 L81 A83 H91 L95 P117 | C59-F93 HydrophobicContact CB-CD1 3.95Å; C59-F93 HydrophobicContact CB-CE1 3.52Å; C59-F93 HydrophobicContact CB-CZ 3.94Å; C61-F93 VanDerWaalsContact SG-CE2 3.58Å; C61-F93 WeakPolarHBondContact SG-CZ 3.42Å; L81-F93 HydrophobicContact CB-CB 4.05Å; L81-F93 HydrophobicContact CD2-CB 4.08Å; L81-F93 HydrophobicContact CD2-CD2 4.04Å; L81-F93 HydrophobicContact CD2-CG 4.21Å; L81-F93 HydrophobicContact CG-CB 4.24Å; L81-F93 HydrophobicContact CG-CD2 4.05Å; L81-F93 PolarHBondContact N-O 3.08Å; L81-F93 PolarHBondContact O-N 2.73Å; A83-F93 HydrophobicContact CB-CE2 4.29Å; H91-F93 HydrophobicContact CB-CD2 4.49Å; H91-F93 HydrophobicContact CB-CE2 3.71Å; H91-F93 HydrophobicContact CB-CZ 4.28Å; F93-L95 HydrophobicContact CB-CD2 4.09Å; F93-L95 HydrophobicContact CB-CG 4.31Å; F93-P117 HydrophobicContact CD1-CB 4.3Å; F93-P117 VanDerWaalsContact CE1-CA 3.48Å; F93-P117 HydrophobicContact CE1-CB 3.82Å; F93-P117 HydrophobicContact CE1-CG 4.33Å; F93-P117 HydrophobicContact CE2-CB 4.24Å; F93-P117 HydrophobicContact CZ-CB 3.77Å; F93-P117 HydrophobicContact CZ-CG 4.29Å |
| 94 | D | 93.3 | Very high | 77.7 | Confident | 54 Ų | 54 | 60.3 Ų | 60.3 | 29% | 0.289 | 35% | 0.351 | S | S | . | . | trans | -98.8 | 108.3 | 168.6 | -173.8 | -16.6 | 0 | 0 | 0 | 107.6 | K78 L80 T96 V118 | K78-D94 WeakPolarHBondContact CE-OD1 3.28Å; K78-D94 WeakPolarHBondContact CE-OD2 3.45Å; K78-D94 IonicContact NZ-OD1 2.64Å; K78-D94 PolarHBondContact NZ-OD1 3.16Å; K78-D94 IonicContact NZ-OD2 2.93Å; K78-D94 PolarHBondContact NZ-OD2 3.05Å; L80-D94 HydrophobicContact CD2-CB 3.82Å; D94-T96 WeakPolarHBondContact OD1-CB 3.44Å; D94-T96 PolarHBondContact OD1-N 3.34Å; D94-T96 PolarHBondContact OD1-OG1 3.31Å; D94-V118 HydrophobicContact CB-CG1 3.89Å; D94-V118 HydrophobicContact CB-CG2 4.14Å | ||
| 95 | L | 92.6 | Very high | 74.7 | Confident | 15 Ų | 15 | 64.2 Ų | 64.2 | 8% | 0.079 | 39% | 0.391 | C | S | . | . | trans | -104.1 | 11.7 | -178.5 | -57.3 | -170.1 | 0 | 0 | 0 | 112.6 | V28 D29 V47 L57 L81 F93 Q115 | V28-L95 HydrophobicContact CG1-CD1 4.2Å; V28-L95 HydrophobicContact CG2-CB 4.47Å; V28-L95 HydrophobicContact CG2-CD1 3.76Å; V28-L95 HydrophobicContact CG2-CG 4.35Å; D29-L95 WeakPolarHBondContact CB-O 3.22Å; V47-L95 HydrophobicContact CG2-CD1 4.02Å; L57-L95 HydrophobicContact CD2-CD1 3.57Å; L57-L95 HydrophobicContact CD2-CD2 3.41Å; L57-L95 VanDerWaalsContact CD2-CD2 3.41Å; L57-L95 HydrophobicContact CD2-CG 4.09Å; L81-L95 HydrophobicContact CD2-CD1 4.04Å; F93-L95 HydrophobicContact CB-CD2 4.09Å; F93-L95 HydrophobicContact CB-CG 4.31Å; L95-Q115 HydrophobicContact CD2-CB 4.46Å; L95-Q115 HydrophobicContact CD2-CG 4.49Å | ||
| 96 | T | 88.6 | Confident | 71.7 | Confident | 48 Ų | 48 | 71.9 Ų | 71.9 | 29% | 0.294 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -66 | 130.6 | 176.2 | -60.5 | 0 | 0 | 0 | 0 | 109.9 | N30 K78 D94 A98 | N30-T96 PolarHBondContact ND2-OG1 3.02Å; K78-T96 WeakPolarHBondContact CE-OG1 3.44Å; K78-T96 VanDerWaalsContact NZ-CB 3.27Å; K78-T96 PolarHBondContact NZ-OG1 3.2Å; D94-T96 WeakPolarHBondContact OD1-CB 3.44Å; D94-T96 PolarHBondContact OD1-N 3.34Å; D94-T96 PolarHBondContact OD1-OG1 3.31Å; T96-A98 PolarHBondContact O-N 2.8Å; T96-A98 VanDerWaalsContact O-N 3.17Å |
| 97 | P | 80.7 | Confident | 68.8 | Low | 78 Ų | 78 | 79.9 Ų | 79.9 | 51% | 0.506 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 124.2 | 177.3 | 21.8 | -31.3 | 0 | 0 | 0 | 109.9 | K99 | P97-K99 PolarHBondContact O-N 2.97Š|
| 98 | A | 66.6 | Low | 65.8 | Low | 80 Ų | 80 | 84.7 Ų | 84.7 | 66% | 0.661 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 124.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | T96 V100 | T96-A98 PolarHBondContact O-N 2.8Å; T96-A98 VanDerWaalsContact O-N 3.17Å; A98-V100 PolarHBondContact O-N 2.87Å |
| 99 | K | 46.1 | Very low | 63 | Low | 201 Ų | 201 | 89 Ų | 89 | 87% | 0.874 | 51% | 0.509 | S | S | * | . | trans | -66.1 | 86.9 | 169.2 | -72.6 | -177.5 | -179.3 | 175.8 | 0 | 108 | P97 L101 | P97-K99 PolarHBondContact O-N 2.97Å; K99-L101 PolarHBondContact O-N 2.9Å | ||
| 100 | V | 41.2 | Very low | 60.6 | Low | 120 Ų | 120 | 91 Ų | 91 | 73% | 0.727 | 52% | 0.524 | S | S | * | . | trans | -71.1 | 89.6 | 168.2 | -177.1 | 0 | 0 | 0 | 0 | 106.8 | A98 D102 | A98-V100 PolarHBondContact O-N 2.87Å; V100-D102 HydrophobicContact CG1-CB 4.3Å; V100-D102 PolarHBondContact O-N 2.88Å; V100-D102 VanDerWaalsContact O-N 3.07Å | ||
| 101 | L | 41.6 | Very low | 57.8 | Low | 161 Ų | 161 | 96.5 Ų | 96.5 | 84% | 0.843 | 55% | 0.551 | S | S | * | * | trans | -68.7 | 87.1 | 153.6 | -86.9 | 158.1 | 0 | 0 | 0 | 106.2 | K99 | K99-L101 PolarHBondContact O-N 2.9Š| ||
| 102 | D | 34.4 | Very low | 55.1 | Low | 140 Ų | 140 | 100 Ų | 100 | 75% | 0.749 | 59% | 0.588 | S | S | * | * | trans | -153.9 | 127.6 | 151.3 | -95.9 | -30.8 | 0 | 0 | 0 | 112.2 | V100 S104 | V100-D102 HydrophobicContact CG1-CB 4.3Å; V100-D102 PolarHBondContact O-N 2.88Å; V100-D102 VanDerWaalsContact O-N 3.07Å; D102-S104 PolarHBondContact O-N 2.82Å | ||
| 103 | A | 41.6 | Very low | 53 | Low | 108 Ų | 108 | 107.4 Ų | 107.4 | 89% | 0.893 | 62% | 0.623 | S | S | * | * | trans | -69.7 | 87.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 104 | S | 37.4 | Very low | 51.4 | Low | 92 Ų | 92 | 113.7 Ų | 113.7 | 64% | 0.643 | 65% | 0.652 | S | S | * | * | trans | -156.8 | 125.8 | 151.6 | 59.2 | 0 | 0 | 0 | 0 | 109.2 | D102 H106 | D102-S104 PolarHBondContact O-N 2.82Å; S104-H106 PolarHBondContact O-N 3.43Å | ||
| 105 | G | 35.8 | Very low | 50.6 | Low | 82 Ų | 82 | 113.8 Ų | 113.8 | 85% | 0.845 | 65% | 0.651 | S | S | * | * | trans | -72.7 | 62.2 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 106 | H | 33.1 | Very low | 50.2 | Low | 162 Ų | 162 | 123 Ų | 123 | 75% | 0.75 | 69% | 0.685 | S | S | * | * | trans | -122.2 | 111.2 | 165.8 | -69.9 | -52.9 | 0 | 0 | 0 | 109.3 | S104 E108 | S104-H106 PolarHBondContact O-N 3.43Å; H106-E108 PolarHBondContact O-N 2.87Å | ||
| 107 | H | 35.7 | Very low | 50.2 | Low | 189 Ų | 189 | 122.6 Ų | 122.6 | 88% | 0.875 | 68% | 0.682 | S | S | * | * | trans | -65.8 | 84.9 | 168.5 | -124.3 | -12.1 | 0 | 0 | 0 | 107.7 | T109 | H107-T109 VanDerWaalsContact C-N 3.28Å; H107-T109 PolarHBondContact O-N 2.9Å; H107-T109 VanDerWaalsContact O-N 3.15Å | ||
| 108 | E | 33.7 | Very low | 50.8 | Low | 184 Ų | 184 | 122 Ų | 122 | 86% | 0.86 | 68% | 0.677 | S | S | * | * | trans | -79.7 | 89.6 | 160.7 | -78 | -165.2 | 155.6 | 0 | 0 | 107.2 | H106 | H106-E108 PolarHBondContact O-N 2.87Š| ||
| 109 | T | 37.8 | Very low | 52 | Low | 90 Ų | 90 | 119.8 Ų | 119.8 | 55% | 0.552 | 65% | 0.653 | S | S | * | * | trans | -57.1 | 134.1 | 163.8 | -31.7 | 0 | 0 | 0 | 0 | 107.4 | H107 M111 | H107-T109 VanDerWaalsContact C-N 3.28Å; H107-T109 PolarHBondContact O-N 2.9Å; H107-T109 VanDerWaalsContact O-N 3.15Å; T109-M111 HydrophobicContact CG2-CB 4.38Å; T109-M111 HydrophobicContact CG2-CG 3.29Å; T109-M111 HydrophobicContact CG2-SD 4.41Å; T109-M111 PolarHBondContact O-N 3.04Å | ||
| 110 | L | 46.4 | Very low | 54.3 | Low | 102 Ų | 102 | 116.3 Ų | 116.3 | 53% | 0.534 | 64% | 0.638 | S | S | . | * | S | Bend | trans | -64.1 | 39.1 | 169.7 | -72.9 | 158 | 0 | 0 | 0 | 112.2 | G112 | L110-G112 PolarHBondContact O-N 2.83Š|
| 111 | M | 37.9 | Very low | 56.9 | Low | 116 Ų | 116 | 112.6 Ų | 112.6 | 57% | 0.571 | 61% | 0.612 | S | S | * | * | trans | -91.2 | 83.9 | 179.2 | -66.4 | -101.9 | 98.8 | 0 | 0 | 107.9 | W56 T109 | W56-M111 WeakPolarHBondContact O-CE 3.23Å; T109-M111 HydrophobicContact CG2-CB 4.38Å; T109-M111 HydrophobicContact CG2-CG 3.29Å; T109-M111 HydrophobicContact CG2-SD 4.41Å; T109-M111 PolarHBondContact O-N 3.04Å | ||
| 112 | G | 41.6 | Very low | 59.5 | Low | 78 Ų | 78 | 110.1 Ų | 110.1 | 80% | 0.804 | 60% | 0.596 | S | S | * | * | S | Bend | trans | 151.9 | -15.1 | 163.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | L110 | L110-G112 PolarHBondContact O-N 2.83Š|
| 113 | E | 51.1 | Low | 62.5 | Low | 155 Ų | 155 | 103.7 Ų | 103.7 | 72% | 0.724 | 56% | 0.562 | S | S | * | * | trans | -92.1 | 121.8 | 174.7 | -64.7 | -159.1 | 153.1 | 0 | 0 | 110.3 | Q115 | E113-Q115 PolarHBondContact O-N 3.18Š| ||
| 114 | E | 62.8 | Low | 65 | Low | 133 Ų | 133 | 100.4 Ų | 100.4 | 62% | 0.621 | 53% | 0.532 | S | S | * | . | trans | -57.6 | 111.3 | 169.5 | -74.6 | -172.6 | -177.6 | 0 | 0 | 108.9 | S60 R116 | S60-E114 PolarHBondContact OG-OE2 3.33Å; E114-R116 PolarHBondContact O-N 2.81Å | ||
| 115 | Q | 76.5 | Confident | 67.8 | Low | 55 Ų | 55 | 98 Ų | 98 | 26% | 0.257 | 52% | 0.518 | S | S | . | . | B | Isolated β-bridge | trans | -68.8 | 127.7 | 179.6 | -70.1 | -66.5 | -18.3 | 0 | 0 | 109.3 | L57 L95 E113 | L57-Q115 HydrophobicContact CD1-CG 3.76Å; L57-Q115 HydrophobicContact CD2-CB 4.23Å; L57-Q115 HydrophobicContact CD2-CG 3.88Å; L57-Q115 HydrophobicContact CG-CG 4.24Å; L95-Q115 HydrophobicContact CD2-CB 4.46Å; L95-Q115 HydrophobicContact CD2-CG 4.49Å; E113-Q115 PolarHBondContact O-N 3.18Å |
| 116 | R | 83.1 | Confident | 70.7 | Confident | 210 Ų | 210 | 98.6 Ų | 98.6 | 79% | 0.792 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -91.4 | 151.3 | 177.1 | -70.7 | -174.7 | 179.9 | -176.6 | 1.9 | 109.9 | E114 V118 | E114-R116 PolarHBondContact O-N 2.81Å; R116-V118 PolarHBondContact O-N 3.04Å |
| 117 | P | 89.6 | Confident | 73.7 | Confident | 38 Ų | 38 | 91 Ų | 91 | 25% | 0.247 | 47% | 0.466 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 134.1 | 175.8 | 26.3 | -34.7 | 0 | 0 | 0 | 110.2 | H91 L92 F93 F119 | H91-P117 HydrophobicContact CB-CB 4.13Å; L92-P117 CarbonylContact O-C 3.57Å; L92-P117 WeakPolarHBondContact O-CA 3.27Å; L92-P117 WeakPolarHBondContact O-CB 3.47Å; F93-P117 HydrophobicContact CD1-CB 4.3Å; F93-P117 VanDerWaalsContact CE1-CA 3.48Å; F93-P117 HydrophobicContact CE1-CB 3.82Å; F93-P117 HydrophobicContact CE1-CG 4.33Å; F93-P117 HydrophobicContact CE2-CB 4.24Å; F93-P117 HydrophobicContact CZ-CB 3.77Å; F93-P117 HydrophobicContact CZ-CG 4.29Å; P117-F119 VanDerWaalsContact C-N 3.27Å |
| 118 | V | 92.1 | Very high | 76.6 | Confident | 66 Ų | 66 | 84.7 Ų | 84.7 | 40% | 0.4 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -73.1 | -24.4 | 174.8 | -66.7 | 0 | 0 | 0 | 0 | 111.8 | L92 D94 R116 L167 | L92-V118 HydrophobicContact CB-CG2 4.02Å; L92-V118 VanDerWaalsContact O-CG2 3.3Å; L92-V118 WeakPolarHBondContact O-CG2 3.33Å; L92-V118 PolarHBondContact O-N 2.81Å; D94-V118 HydrophobicContact CB-CG1 3.89Å; D94-V118 HydrophobicContact CB-CG2 4.14Å; R116-V118 PolarHBondContact O-N 3.04Å; V118-L167 HydrophobicContact CB-CD1 4.05Å; V118-L167 HydrophobicContact CG2-CD1 3.38Å |
| 119 | F | 93.5 | Very high | 79.6 | Confident | 34 Ų | 34 | 76.2 Ų | 76.2 | 15% | 0.149 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 147.9 | 175.3 | 178.5 | -95.3 | 0 | 0 | 0 | 110.8 | F90 L92 P117 Q121 W157 G169 | F90-F119 HydrophobicContact CD1-CD1 4.24Å; F90-F119 HydrophobicContact CD1-CE1 4.21Å; F90-F119 HydrophobicContact CE1-CD1 4.1Å; F90-F119 HydrophobicContact CE1-CE1 4.22Å; L92-F119 HydrophobicContact CB-CB 4.08Å; L92-F119 HydrophobicContact CD1-CB 4.09Å; L92-F119 HydrophobicContact CD1-CD1 3.97Å; L92-F119 HydrophobicContact CD1-CG 4.35Å; L92-F119 HydrophobicContact CG-CB 4.34Å; L92-F119 HydrophobicContact CG-CD1 4.25Å; L92-F119 PolarHBondContact N-O 3.09Å; L92-F119 PolarHBondContact O-N 2.71Å; P117-F119 VanDerWaalsContact C-N 3.27Å; F119-Q121 HydrophobicContact CE1-CB 3.5Å; F119-Q121 VanDerWaalsContact CE1-CB 3.5Å; F119-Q121 HydrophobicContact CZ-CB 3.8Å; F119-W157 AromaticContact CD1-CH2 3.79Å; F119-W157 HydrophobicContact CD1-CH2 3.79Å; F119-W157 AromaticContact CD1-CZ3 3.72Å; F119-W157 HydrophobicContact CD1-CZ3 3.72Å; F119-W157 AromaticContact CD2-CH2 3.86Å; F119-W157 HydrophobicContact CD2-CH2 3.86Å; F119-W157 AromaticContact CE1-CH2 3.83Å; F119-W157 HydrophobicContact CE1-CH2 3.83Å; F119-W157 AromaticContact CE1-CZ3 3.53Å; F119-W157 HydrophobicContact CE1-CZ3 3.53Å; F119-W157 AromaticContact CE2-CH2 3.92Å; F119-W157 HydrophobicContact CE2-CH2 3.92Å; F119-W157 HydrophobicContact CE2-CZ3 4.4Å; F119-W157 AromaticContact CG-CH2 3.79Å; F119-W157 HydrophobicContact CG-CH2 3.79Å; F119-W157 HydrophobicContact CG-CZ3 4.22Å; F119-W157 AromaticContact CZ-CH2 3.9Å; F119-W157 HydrophobicContact CZ-CH2 3.9Å; F119-W157 AromaticContact CZ-CZ3 3.9Å; F119-W157 HydrophobicContact CZ-CZ3 3.9Å; F119-G169 WeakPolarHBondContact CE2-O 3.37Å; F119-G169 WeakPolarHBondContact CZ-O 3.42Å |
| 120 | K | 94.5 | Very high | 82.4 | Confident | 128 Ų | 128 | 73.2 Ų | 73.2 | 56% | 0.557 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 140.6 | 172.8 | 66 | -178.1 | -177.9 | 177.7 | 0 | 111.1 | F90 | F90-K120 CarbonylContact O-C 3.57Å; F90-K120 VanDerWaalsContact O-CA 3.23Å; F90-K120 WeakPolarHBondContact O-CA 3.42Å |
| 121 | Q | 95.3 | Very high | 84.9 | Confident | 41 Ų | 41 | 70.1 Ų | 70.1 | 19% | 0.192 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 150.7 | 174.9 | 176.2 | 171.8 | -19.8 | 0 | 0 | 110 | F90 F119 L171 | F90-Q121 WeakPolarHBondContact CB-O 3.35Å; F90-Q121 HydrophobicContact CD1-CB 4.37Å; F90-Q121 PolarHBondContact N-O 3.42Å; F90-Q121 PolarHBondContact O-N 2.91Å; F119-Q121 HydrophobicContact CE1-CB 3.5Å; F119-Q121 VanDerWaalsContact CE1-CB 3.5Å; F119-Q121 HydrophobicContact CZ-CB 3.8Å; Q121-L171 PolarHBondContact NE2-O 2.71Å |
| 122 | H | 96.3 | Very high | 87.8 | Confident | 110 Ų | 110 | 66.1 Ų | 66.1 | 51% | 0.509 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 124.1 | 171.5 | -162.2 | -65 | 0 | 0 | 0 | 109.7 | E87 G88 W89 | E87-H122 PolarHBondContact O-NE2 2.71Å; G88-H122 CarbonylContact O-C 3.55Å; G88-H122 WeakPolarHBondContact O-CA 3.47Å; W89-H122 HydrophobicContact CZ3-CB 4.33Å |
| 123 | I | 95.9 | Very high | 90.4 | Very high | 4 Ų | 4 | 64 Ų | 64 | 2% | 0.021 | 31% | 0.314 | C | S | . | . | trans | -111.3 | 171.1 | 168.9 | 63.9 | 167.2 | 0 | 0 | 0 | 108.7 | V84 G88 F90 V145 F155 L171 | V84-I123 HydrophobicContact CG1-CD1 3.89Å; G88-I123 WeakPolarHBondContact CA-O 3.35Å; G88-I123 WeakPolarHBondContact O-CG1 3.35Å; G88-I123 PolarHBondContact O-N 3.48Å; F90-I123 HydrophobicContact CB-CD1 4.44Å; F90-I123 HydrophobicContact CB-CG1 4.35Å; F90-I123 HydrophobicContact CB-CG2 4.18Å; I123-V145 HydrophobicContact CD1-CG2 4.34Å; I123-F155 HydrophobicContact CB-CZ 4.5Å; I123-F155 HydrophobicContact CG2-CZ 4.45Å; I123-L171 HydrophobicContact CG2-CD1 4.36Å | ||
| 124 | P | 95.8 | Very high | 92.5 | Very high | 40 Ų | 40 | 58.4 Ų | 58.4 | 26% | 0.26 | 29% | 0.289 | S | S | . | . | trans | -54.4 | 146.8 | 174.3 | -24.8 | 33.9 | 0 | 0 | 0 | 112.3 | Y147 | P124-Y147 HydrophobicContact CB-CE1 3.72Å; P124-Y147 WeakPolarHBondContact CD-OH 3.47Å; P124-Y147 HydrophobicContact CG-CE1 4.47Å; P124-Y147 WeakPolarHBondContact O-CE1 3.35Å | ||
| 125 | A | 95.9 | Very high | 94 | Very high | 42 Ų | 42 | 52.1 Ų | 52.1 | 35% | 0.347 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -76 | 172.2 | -179 | 0 | 0 | 0 | 0 | 0 | 112.7 | A86 Y147 | A86-A125 WeakPolarHBondContact O-CB 3.49Å; A125-Y147 VanDerWaalsContact O-CD1 3.3Å; A125-Y147 WeakPolarHBondContact O-CD1 3.42Å |
| 126 | N | 95.7 | Very high | 94.8 | Very high | 93 Ų | 93 | 50 Ų | 50 | 50% | 0.497 | 25% | 0.25 | S | S | . | . | trans | 64.3 | 38.4 | 178.4 | -49.3 | -54.3 | 0 | 0 | 0 | 114.4 | A86 K128 Y147 T148 | A86-N126 PolarHBondContact O-N 2.81Å; N126-K128 PolarHBondContact O-N 3.36Å; N126-Y147 WeakPolarHBondContact O-CA 3.5Å; N126-T148 HydrophobicContact CB-CG2 4.31Å; N126-T148 WeakPolarHBondContact CB-OG1 3.47Å; N126-T148 PolarHBondContact O-N 3.48Å; N126-T148 VanDerWaalsContact O-N 3.14Å | ||
| 127 | T | 96.8 | Very high | 95.1 | Very high | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.018 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 129.5 | 167.5 | -64.8 | 0 | 0 | 0 | 0 | 110.3 | T66 C67 V84 V145 | T66-T127 WeakPolarHBondContact CB-O 3.33Å; T66-T127 PolarHBondContact OG1-O 3.3Å; C67-T127 HydrophobicContact CB-CG2 4.46Å; V84-T127 HydrophobicContact CB-CG2 4.27Å; V84-T127 HydrophobicContact CG1-CG2 3.73Å; T127-V145 HydrophobicContact CG2-CG1 3.43Å; T127-V145 VanDerWaalsContact CG2-CG1 3.43Å; T127-V145 WeakPolarHBondContact OG1-CG1 3.33Å |
| 128 | K | 96.1 | Very high | 95.3 | Very high | 57 Ų | 57 | 43.4 Ų | 43.4 | 25% | 0.248 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | -37.6 | -178.8 | -178.6 | 178.2 | 172.6 | -168.9 | 0 | 113 | H21 C67 N126 G146 T148 V183 D184 | H21-K128 PolarHBondContact CD2-O 3.02Å; C67-K128 PolarHBondContact SG-O 2.87Å; C67-K128 VanDerWaalsContact SG-O 3.36Å; N126-K128 PolarHBondContact O-N 3.36Å; K128-G146 PolarHBondContact N-O 2.9Å; K128-T148 HydrophobicContact CB-CG2 4.07Å; K128-T148 HydrophobicContact CD-CG2 4.27Å; K128-V183 WeakPolarHBondContact CD-O 3.14Å; K128-V183 VanDerWaalsContact CE-O 3.28Å; K128-V183 WeakPolarHBondContact CE-O 3.4Å; K128-V183 PolarHBondContact NZ-O 3.29Å; K128-D184 WeakPolarHBondContact CE-OD1 3.46Å; K128-D184 IonicContact NZ-OD1 3.76Å; K128-D184 PolarHBondContact NZ-OD1 3.34Å |
| 129 | V | 97.2 | Very high | 95.3 | Very high | 5 Ų | 5 | 43.3 Ų | 43.3 | 3% | 0.03 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 150.8 | -179.8 | 59.6 | 0 | 0 | 0 | 0 | 109.8 | C67 G146 V183 L186 | C67-V129 VanDerWaalsContact SG-CA 3.59Å; V129-G146 PolarHBondContact N-O 2.69Å; V129-G146 PolarHBondContact O-N 2.8Å; V129-V183 HydrophobicContact CG1-CG1 3.88Å; V129-L186 HydrophobicContact CG1-CD1 3.81Å; V129-L186 HydrophobicContact CG1-CG 3.85Å; V129-L186 HydrophobicContact CG2-CD1 4.33Å; V129-L186 HydrophobicContact CG2-CG 4.33Å |
| 130 | M | 97.6 | Very high | 95.3 | Very high | 27 Ų | 27 | 43.6 Ų | 43.6 | 13% | 0.133 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 145.2 | -178.2 | -176.4 | 178 | 74.3 | 0 | 0 | 110.1 | C67 V68 G69 V82 V84 I132 L143 V144 | C67-M130 HydrophobicContact CB-CB 3.87Å; V68-M130 VanDerWaalsContact C-CE 3.49Å; G69-M130 VanDerWaalsContact N-CE 3.35Å; V82-M130 HydrophobicContact CB-CE 3.98Å; V82-M130 HydrophobicContact CB-SD 4.36Å; V82-M130 HydrophobicContact CG1-CE 3.83Å; V82-M130 HydrophobicContact CG1-SD 3.57Å; V82-M130 VanDerWaalsContact CG1-SD 3.57Å; V84-M130 HydrophobicContact CG2-SD 3.71Å; M130-I132 HydrophobicContact CE-CD1 4.47Å; M130-L143 HydrophobicContact CG-CD1 3.57Å; M130-L143 HydrophobicContact SD-CD1 3.63Å; M130-V144 CarbonylContact C-O 3.59Å; M130-V144 WeakPolarHBondContact CA-O 3.32Å |
| 131 | L | 97.9 | Very high | 95.4 | Very high | 37 Ų | 37 | 39 Ų | 39 | 19% | 0.194 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 135.3 | 173.8 | 175.8 | 64.5 | 0 | 0 | 0 | 109 | V144 L186 V188 L198 | L131-V144 HydrophobicContact CB-CB 4.32Å; L131-V144 PolarHBondContact N-O 2.9Å; L131-V144 PolarHBondContact O-N 3.45Å; L131-L186 HydrophobicContact CB-CB 4.05Å; L131-L186 HydrophobicContact CB-CD1 4.3Å; L131-L186 HydrophobicContact CD2-CB 4.09Å; L131-V188 HydrophobicContact CD2-CG2 4.02Å; L131-L198 HydrophobicContact CD2-CD1 4.07Å |
| 132 | I | 97.9 | Very high | 95.5 | Very high | 33 Ų | 33 | 37 Ų | 37 | 17% | 0.169 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 110.4 | 172 | -55.8 | 168.2 | 0 | 0 | 0 | 106.2 | V82 M130 C141 E142 L143 | V82-I132 HydrophobicContact CB-CD1 4.23Å; V82-I132 HydrophobicContact CG2-CD1 3.64Å; M130-I132 HydrophobicContact CE-CD1 4.47Å; I132-C141 HydrophobicContact CG2-CB 4.06Å; I132-E142 WeakPolarHBondContact CA-O 3.49Å; I132-L143 HydrophobicContact CG1-CD1 3.9Å |
| 133 | S | 96.8 | Very high | 95.5 | Very high | 33 Ų | 33 | 31.9 Ų | 31.9 | 23% | 0.231 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.9 | 154 | -177.5 | -173.1 | 0 | 0 | 0 | 0 | 109.7 | I135 E142 | S133-I135 WeakPolarHBondContact O-CG2 3.37Å; S133-I135 PolarHBondContact O-N 3.16Å; S133-E142 PolarHBondContact N-O 2.92Å; S133-E142 VanDerWaalsContact N-O 3.11Å; S133-E142 PolarHBondContact O-N 3.37Å |
| 134 | D | 95.3 | Very high | 95.7 | Very high | 37 Ų | 37 | 31.7 Ų | 31.7 | 20% | 0.198 | 21% | 0.206 | C | C | . | . | trans | -67.1 | 109.1 | 160.6 | -179.6 | 2.3 | 0 | 0 | 0 | 108.4 | D136 G137 D138 G139 C140 E142 | D134-D136 PolarHBondContact OD1-N 2.83Å; D134-D136 VanDerWaalsContact OD1-N 3.16Å; D134-G137 WeakPolarHBondContact OD1-CA 2.91Å; D134-G137 PolarHBondContact OD1-N 2.92Å; D134-G137 VanDerWaalsContact OD2-CA 3.26Å; D134-G137 WeakPolarHBondContact OD2-CA 3.42Å; D134-D138 PolarHBondContact OD1-N 3.3Å; D134-D138 PolarHBondContact OD2-N 2.89Å; D134-G139 WeakPolarHBondContact OD2-CA 3.42Å; D134-G139 PolarHBondContact OD2-N 2.87Å; D134-C140 VanDerWaalsContact CA-O 3.24Å; D134-C140 WeakPolarHBondContact CA-O 3.48Å; D134-C140 VanDerWaalsContact CB-O 3.25Å; D134-C140 WeakPolarHBondContact CB-O 3.36Å; D134-E142 WeakPolarHBondContact CA-OE2 3.2Å | ||
| 135 | I | 95.1 | Very high | 95.8 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -100.7 | -7.8 | -177.6 | 69.6 | 179.8 | 0 | 0 | 0 | 112.7 | S133 E142 V144 A154 V188 L198 C212 W214 | S133-I135 WeakPolarHBondContact O-CG2 3.37Å; S133-I135 PolarHBondContact O-N 3.16Å; I135-E142 HydrophobicContact CD1-CB 3.93Å; I135-E142 HydrophobicContact CD1-CG 3.96Å; I135-E142 HydrophobicContact CG1-CB 4.02Å; I135-E142 HydrophobicContact CG1-CG 3.86Å; I135-E142 WeakPolarHBondContact CG1-OE2 3.01Å; I135-E142 PolarHBondContact N-OE2 3.35Å; I135-V144 HydrophobicContact CD1-CG2 3.67Å; I135-V144 HydrophobicContact CG2-CG2 3.75Å; I135-A154 HydrophobicContact CD1-CB 3.77Å; I135-V188 HydrophobicContact CB-CG2 4.44Å; I135-V188 HydrophobicContact CG2-CG2 3.79Å; I135-L198 HydrophobicContact CB-CB 4.44Å; I135-L198 HydrophobicContact CD1-CD2 4.16Å; I135-L198 HydrophobicContact CG2-CD1 4.36Å; I135-C212 PolarHBondContact O-SG 2.91Å; I135-C212 VanDerWaalsContact O-SG 3.36Å; I135-W214 HydrophobicContact CD1-CH2 3.71Å; I135-W214 HydrophobicContact CD1-CZ2 4.06Å; I135-W214 HydrophobicContact CG1-CH2 4.24Å; I135-W214 HydrophobicContact CG1-CZ2 4.18Å |
| 136 | D | 92.3 | Very high | 95.9 | Very high | 11 Ų | 11 | 27.8 Ų | 27.8 | 6% | 0.059 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -122.8 | -9.5 | -175.1 | 79 | 24.9 | 0 | 0 | 0 | 113.9 | D134 D138 R156 C212 W214 K215 | D134-D136 PolarHBondContact OD1-N 2.83Å; D134-D136 VanDerWaalsContact OD1-N 3.16Å; D136-D138 WeakPolarHBondContact OD1-CB 3.21Å; D136-D138 PolarHBondContact OD1-N 3.27Å; D136-D138 VanDerWaalsContact OD1-N 3.1Å; D136-R156 IonicContact OD1-NH2 3.41Å; D136-R156 IonicContact OD2-NH2 2.71Å; D136-R156 PolarHBondContact OD2-NH2 3.37Å; D136-R156 VanDerWaalsContact OD2-NH2 3.1Å; D136-C212 HydrophobicContact CB-CB 3.98Å; D136-W214 HydrophobicContact CB-CZ2 3.98Å; D136-W214 PolarHBondContact OD2-NE1 2.84Å; D136-K215 PolarHBondContact O-NZ 2.86Å; D136-K215 WeakPolarHBondContact OD1-CE 3.39Å; D136-K215 IonicContact OD1-NZ 3.76Å; D136-K215 PolarHBondContact OD1-NZ 2.74Å; D136-K215 VanDerWaalsContact OD2-CE 3.23Å; D136-K215 WeakPolarHBondContact OD2-CE 3.29Å; D136-K215 IonicContact OD2-NZ 2.73Å |
| 137 | G | 90.8 | Very high | 96 | Very high | 43 Ų | 43 | 23.5 Ų | 23.5 | 44% | 0.443 | 16% | 0.155 | S | C | . | . | S | Bend | trans | 83.8 | 23.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | D134 P196 | D134-G137 WeakPolarHBondContact OD1-CA 2.91Å; D134-G137 PolarHBondContact OD1-N 2.92Å; D134-G137 VanDerWaalsContact OD2-CA 3.26Å; D134-G137 WeakPolarHBondContact OD2-CA 3.42Å; G137-P196 VanDerWaalsContact CA-CG 3.5Å; G137-P196 VanDerWaalsContact N-CG 3.28Å |
| 138 | D | 92.3 | Very high | 95.9 | Very high | 67 Ų | 67 | 26.4 Ų | 26.4 | 36% | 0.358 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -94 | 3.5 | 175.6 | 78.5 | 1.6 | 0 | 0 | 0 | 114.8 | D134 D136 C140 R156 | D134-D138 PolarHBondContact OD1-N 3.3Å; D134-D138 PolarHBondContact OD2-N 2.89Å; D136-D138 WeakPolarHBondContact OD1-CB 3.21Å; D136-D138 PolarHBondContact OD1-N 3.27Å; D136-D138 VanDerWaalsContact OD1-N 3.1Å; D138-C140 VanDerWaalsContact C-N 3.26Å; D138-C140 PolarHBondContact O-N 2.83Å; D138-C140 VanDerWaalsContact OD1-CB 3.27Å; D138-C140 WeakPolarHBondContact OD1-CB 3.49Å; D138-C140 PolarHBondContact OD1-N 2.98Å; D138-R156 IonicContact OD1-CZ 3.15Å; D138-R156 IonicContact OD1-NH2 2.64Å; D138-R156 PolarHBondContact OD1-NH2 2.95Å; D138-R156 IonicContact OD2-CZ 2.73Å; D138-R156 IonicContact OD2-NH1 3.87Å; D138-R156 PolarHBondContact OD2-NH1 3.21Å; D138-R156 IonicContact OD2-NH2 3.25Å; D138-R156 PolarHBondContact OD2-NH2 3.24Å |
| 139 | G | 91.7 | Very high | 95.8 | Very high | 64 Ų | 64 | 28.2 Ų | 28.2 | 66% | 0.66 | 19% | 0.185 | S | C | * | . | S | Bend | trans | 81.5 | -1.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | D134 | D134-G139 WeakPolarHBondContact OD2-CA 3.42Å; D134-G139 PolarHBondContact OD2-N 2.87Å |
| 140 | C | 94.4 | Very high | 95.7 | Very high | 40 Ų | 40 | 33.5 Ų | 33.5 | 27% | 0.27 | 20% | 0.204 | S | C | . | . | P | Polyproline II helix | trans | -95.9 | 143.1 | 169.4 | -61.5 | 0 | 0 | 0 | 0 | 109.9 | N75 D134 D138 | N75-C140 VanDerWaalsContact OD1-CA 3.31Å; N75-C140 WeakPolarHBondContact OD1-CA 3.41Å; D134-C140 VanDerWaalsContact CA-O 3.24Å; D134-C140 WeakPolarHBondContact CA-O 3.48Å; D134-C140 VanDerWaalsContact CB-O 3.25Å; D134-C140 WeakPolarHBondContact CB-O 3.36Å; D138-C140 VanDerWaalsContact C-N 3.26Å; D138-C140 PolarHBondContact O-N 2.83Å; D138-C140 VanDerWaalsContact OD1-CB 3.27Å; D138-C140 WeakPolarHBondContact OD1-CB 3.49Å; D138-C140 PolarHBondContact OD1-N 2.98Å |
| 141 | C | 96.1 | Very high | 95.7 | Very high | 31 Ų | 31 | 32.3 Ų | 32.3 | 21% | 0.209 | 20% | 0.198 | C | C | . | . | P | Polyproline II helix | trans | -78.7 | 133.6 | 170.3 | -65.2 | 0 | 0 | 0 | 0 | 111.3 | N75 I132 | N75-C141 PolarHBondContact ND2-O 3.46Å; N75-C141 PolarHBondContact OD1-N 3.14Å; I132-C141 HydrophobicContact CG2-CB 4.06Å |
| 142 | E | 97.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 152 | 166 | -71.8 | 65.3 | -127.9 | 0 | 0 | 110.7 | I132 S133 D134 I135 F155 R156 L174 | I132-E142 WeakPolarHBondContact CA-O 3.49Å; S133-E142 PolarHBondContact N-O 2.92Å; S133-E142 VanDerWaalsContact N-O 3.11Å; S133-E142 PolarHBondContact O-N 3.37Å; D134-E142 WeakPolarHBondContact CA-OE2 3.2Å; I135-E142 HydrophobicContact CD1-CB 3.93Å; I135-E142 HydrophobicContact CD1-CG 3.96Å; I135-E142 HydrophobicContact CG1-CB 4.02Å; I135-E142 HydrophobicContact CG1-CG 3.86Å; I135-E142 WeakPolarHBondContact CG1-OE2 3.01Å; I135-E142 PolarHBondContact N-OE2 3.35Å; E142-F155 WeakPolarHBondContact CA-O 3.4Å; E142-R156 IonicContact OE1-CZ 3.69Å; E142-R156 IonicContact OE1-NE 3.77Å; E142-R156 PolarHBondContact OE1-NE 2.85Å; E142-R156 IonicContact OE1-NH2 2.65Å; E142-R156 PolarHBondContact OE1-NH2 2.95Å; E142-L174 HydrophobicContact CG-CD1 3.75Å |
| 143 | L | 98 | Very high | 95.7 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 111.3 | 164.4 | 179.9 | 74 | 0 | 0 | 0 | 109.2 | V73 F90 M130 I132 V145 A154 F155 L171 | V73-L143 HydrophobicContact CG2-CB 4.41Å; F90-L143 HydrophobicContact CD2-CD2 3.86Å; F90-L143 HydrophobicContact CE2-CD1 4.44Å; F90-L143 HydrophobicContact CE2-CD2 3.42Å; F90-L143 VanDerWaalsContact CE2-CD2 3.42Å; F90-L143 HydrophobicContact CZ-CD2 4.2Å; M130-L143 HydrophobicContact CG-CD1 3.57Å; M130-L143 HydrophobicContact SD-CD1 3.63Å; I132-L143 HydrophobicContact CG1-CD1 3.9Å; L143-V145 HydrophobicContact CD2-CG2 4.18Å; L143-V145 HydrophobicContact CG-CG2 4.02Å; L143-A154 CarbonylContact O-C 3.55Å; L143-F155 HydrophobicContact CB-CB 4.33Å; L143-F155 PolarHBondContact N-O 2.99Å; L143-F155 PolarHBondContact O-N 2.8Å; L143-L171 HydrophobicContact CB-CD2 4.47Å; L143-L171 HydrophobicContact CD2-CD1 3.56Å; L143-L171 HydrophobicContact CD2-CD2 4.21Å |
| 144 | V | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 130.2 | 173.6 | -171.5 | 0 | 0 | 0 | 0 | 110 | M130 L131 I135 V152 R153 A154 L186 L198 | M130-V144 CarbonylContact C-O 3.59Å; M130-V144 WeakPolarHBondContact CA-O 3.32Å; L131-V144 HydrophobicContact CB-CB 4.32Å; L131-V144 PolarHBondContact N-O 2.9Å; L131-V144 PolarHBondContact O-N 3.45Å; I135-V144 HydrophobicContact CD1-CG2 3.67Å; I135-V144 HydrophobicContact CG2-CG2 3.75Å; V144-V152 HydrophobicContact CG1-CG1 3.47Å; V144-V152 VanDerWaalsContact CG1-CG1 3.47Å; V144-R153 CarbonylContact C-O 3.6Å; V144-R153 WeakPolarHBondContact CA-O 3.12Å; V144-A154 HydrophobicContact CG2-CB 4.37Å; V144-L186 HydrophobicContact CB-CD1 4.32Å; V144-L186 HydrophobicContact CG1-CD1 3.82Å; V144-L186 HydrophobicContact CG1-CD2 4.37Å; V144-L198 HydrophobicContact CG1-CD1 4.43Å; V144-L198 HydrophobicContact CG1-CD2 3.98Å; V144-L198 HydrophobicContact CG2-CD2 4.19Å |
| 145 | V | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 122.2 | -177.5 | -175 | 0 | 0 | 0 | 0 | 109.5 | I123 T127 L143 Y147 V152 R153 F155 | I123-V145 HydrophobicContact CD1-CG2 4.34Å; T127-V145 HydrophobicContact CG2-CG1 3.43Å; T127-V145 VanDerWaalsContact CG2-CG1 3.43Å; T127-V145 WeakPolarHBondContact OG1-CG1 3.33Å; L143-V145 HydrophobicContact CD2-CG2 4.18Å; L143-V145 HydrophobicContact CG-CG2 4.02Å; V145-Y147 HydrophobicContact CB-CE2 4.13Å; V145-Y147 HydrophobicContact CG1-CD1 4.44Å; V145-Y147 HydrophobicContact CG1-CE1 3.86Å; V145-Y147 HydrophobicContact CG1-CE2 3.95Å; V145-Y147 WeakPolarHBondContact O-CE2 3.5Å; V145-V152 CarbonylContact O-C 3.55Å; V145-V152 WeakPolarHBondContact O-CA 3.37Å; V145-R153 PolarHBondContact N-O 2.84Å; V145-R153 PolarHBondContact O-N 2.72Å; V145-F155 HydrophobicContact CB-CE2 4.36Å; V145-F155 HydrophobicContact CG2-CD2 4.25Å; V145-F155 HydrophobicContact CG2-CE2 4.09Å |
| 146 | G | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 132.9 | 171 | 0 | 0 | 0 | 0 | 0 | 110.9 | K128 V129 | K128-G146 PolarHBondContact N-O 2.9Å; V129-G146 PolarHBondContact N-O 2.69Å; V129-G146 PolarHBondContact O-N 2.8Å |
| 147 | Y | 97.4 | Very high | 96 | Very high | 4 Ų | 4 | 31.7 Ų | 31.7 | 2% | 0.016 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 162.6 | -176.1 | -59.9 | -86.6 | 0 | 0 | 0 | 111.5 | P124 A125 N126 V145 D149 V151 R153 | P124-Y147 HydrophobicContact CB-CE1 3.72Å; P124-Y147 WeakPolarHBondContact CD-OH 3.47Å; P124-Y147 HydrophobicContact CG-CE1 4.47Å; P124-Y147 WeakPolarHBondContact O-CE1 3.35Å; A125-Y147 VanDerWaalsContact O-CD1 3.3Å; A125-Y147 WeakPolarHBondContact O-CD1 3.42Å; N126-Y147 WeakPolarHBondContact O-CA 3.5Å; V145-Y147 HydrophobicContact CB-CE2 4.13Å; V145-Y147 HydrophobicContact CG1-CD1 4.44Å; V145-Y147 HydrophobicContact CG1-CE1 3.86Å; V145-Y147 HydrophobicContact CG1-CE2 3.95Å; V145-Y147 WeakPolarHBondContact O-CE2 3.5Å; Y147-D149 WeakPolarHBondContact CB-OD1 3.37Å; Y147-D149 PolarHBondContact O-N 2.77Å; Y147-V151 HydrophobicContact CD2-CB 4.03Å; Y147-V151 HydrophobicContact CD2-CG1 3.97Å; Y147-V151 WeakPolarHBondContact CD2-O 3.48Å; Y147-V151 HydrophobicContact CE2-CG1 4.41Å; Y147-V151 PolarHBondContact N-O 2.9Å; Y147-R153 HydrophobicContact CE2-CB 3.95Å; Y147-R153 HydrophobicContact CE2-CG 3.73Å |
| 148 | T | 95.4 | Very high | 96.1 | Very high | 63 Ų | 63 | 34 Ų | 34 | 39% | 0.387 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -13.6 | 176.3 | 60 | 0 | 0 | 0 | 0 | 114.1 | N126 K128 Q182 | N126-T148 HydrophobicContact CB-CG2 4.31Å; N126-T148 WeakPolarHBondContact CB-OG1 3.47Å; N126-T148 PolarHBondContact O-N 3.48Å; N126-T148 VanDerWaalsContact O-N 3.14Å; K128-T148 HydrophobicContact CB-CG2 4.07Å; K128-T148 HydrophobicContact CD-CG2 4.27Å; T148-Q182 PolarHBondContact O-NE2 3.17Å; T148-Q182 VanDerWaalsContact O-NE2 3.15Å; T148-Q182 PolarHBondContact O-OE1 3.42Å; T148-Q182 VanDerWaalsContact O-OE1 3.12Å |
| 149 | D | 94.3 | Very high | 96 | Very high | 95 Ų | 95 | 35.4 Ų | 35.4 | 51% | 0.508 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | 23.3 | -175.7 | 70.9 | -15.7 | 0 | 0 | 0 | 113.3 | Y147 V151 | Y147-D149 WeakPolarHBondContact CB-OD1 3.37Å; Y147-D149 PolarHBondContact O-N 2.77Å; D149-V151 PolarHBondContact O-N 3.05Å; D149-V151 VanDerWaalsContact OD1-CB 3.31Å; D149-V151 WeakPolarHBondContact OD1-CB 3.3Å; D149-V151 WeakPolarHBondContact OD1-CG2 3.22Å; D149-V151 PolarHBondContact OD1-N 3.4Å |
| 150 | R | 95.5 | Very high | 95.5 | Very high | 117 Ų | 117 | 38.6 Ų | 38.6 | 44% | 0.442 | 19% | 0.188 | S | C | . | . | S | Bend | trans | 66.6 | 16.4 | 178.4 | -41.4 | 177.7 | -163.7 | 176.3 | 7.1 | 113.8 | L179 E180 G181 | R150-L179 HydrophobicContact CB-CB 4.41Å; R150-L179 WeakPolarHBondContact CB-O 3.24Å; R150-L179 WeakPolarHBondContact O-CB 3.26Å; R150-L179 PolarHBondContact O-N 2.92Å; R150-E180 WeakPolarHBondContact CD-O 3.5Å; R150-E180 PolarHBondContact NH1-O 3.12Å; R150-G181 WeakPolarHBondContact CB-O 3.45Å; R150-G181 WeakPolarHBondContact CG-O 3.35Å |
| 151 | V | 97.1 | Very high | 94.2 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.012 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 142.5 | 173.9 | 177.6 | 0 | 0 | 0 | 0 | 109.3 | Y147 D149 R153 K176 W177 M178 | Y147-V151 HydrophobicContact CD2-CB 4.03Å; Y147-V151 HydrophobicContact CD2-CG1 3.97Å; Y147-V151 WeakPolarHBondContact CD2-O 3.48Å; Y147-V151 HydrophobicContact CE2-CG1 4.41Å; Y147-V151 PolarHBondContact N-O 2.9Å; D149-V151 PolarHBondContact O-N 3.05Å; D149-V151 VanDerWaalsContact OD1-CB 3.31Å; D149-V151 WeakPolarHBondContact OD1-CB 3.3Å; D149-V151 WeakPolarHBondContact OD1-CG2 3.22Å; D149-V151 PolarHBondContact OD1-N 3.4Å; V151-R153 HydrophobicContact CG1-CG 3.95Å; V151-K176 HydrophobicContact CG1-CD 4.27Å; V151-K176 HydrophobicContact CG1-CG 3.75Å; V151-W177 WeakPolarHBondContact CA-O 3.29Å; V151-M178 HydrophobicContact CG2-CE 3.52Å; V151-M178 HydrophobicContact CG2-SD 3.78Å |
| 152 | V | 98.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 140.1 | 162.5 | 176.8 | 0 | 0 | 0 | 0 | 107.8 | V144 V145 K176 W177 L179 V183 L186 V200 L210 | V144-V152 HydrophobicContact CG1-CG1 3.47Å; V144-V152 VanDerWaalsContact CG1-CG1 3.47Å; V145-V152 CarbonylContact O-C 3.55Å; V145-V152 WeakPolarHBondContact O-CA 3.37Å; V152-K176 WeakPolarHBondContact O-CA 3.33Å; V152-W177 HydrophobicContact CB-CE3 4.34Å; V152-W177 HydrophobicContact CG1-CE3 4.11Å; V152-W177 HydrophobicContact CG1-CZ3 4.4Å; V152-W177 PolarHBondContact N-O 3.02Å; V152-W177 PolarHBondContact O-N 3.38Å; V152-L179 HydrophobicContact CB-CD1 4.21Å; V152-L179 HydrophobicContact CG2-CD1 3.49Å; V152-L179 VanDerWaalsContact CG2-CD1 3.49Å; V152-V183 HydrophobicContact CG2-CG1 4.34Å; V152-V183 HydrophobicContact CG2-CG2 3.97Å; V152-L186 HydrophobicContact CG1-CD2 4.21Å; V152-L186 HydrophobicContact CG2-CD2 4.15Å; V152-V200 HydrophobicContact CG2-CG2 4.21Å; V152-L210 HydrophobicContact CB-CD1 3.88Å; V152-L210 HydrophobicContact CG1-CD1 3.71Å; V152-L210 HydrophobicContact CG2-CD1 4.16Å |
| 153 | R | 97.8 | Very high | 90.5 | Very high | 65 Ų | 65 | 47.7 Ų | 47.7 | 25% | 0.245 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 142.2 | 172.8 | -64.4 | -177.4 | -172.6 | -145.3 | 7.5 | 110.7 | V144 V145 Y147 V151 F155 K175 K176 | V144-R153 CarbonylContact C-O 3.6Å; V144-R153 WeakPolarHBondContact CA-O 3.12Å; V145-R153 PolarHBondContact N-O 2.84Å; V145-R153 PolarHBondContact O-N 2.72Å; Y147-R153 HydrophobicContact CE2-CB 3.95Å; Y147-R153 HydrophobicContact CE2-CG 3.73Å; V151-R153 HydrophobicContact CG1-CG 3.95Å; R153-F155 HydrophobicContact CB-CD2 4.42Å; R153-F155 HydrophobicContact CB-CE2 3.67Å; R153-F155 HydrophobicContact CB-CZ 4Å; R153-K175 VanDerWaalsContact CA-O 3.25Å; R153-K175 WeakPolarHBondContact CA-O 3.24Å; R153-K176 HydrophobicContact CG-CB 4.2Å; R153-K176 HydrophobicContact CG-CG 4.15Å |
| 154 | A | 97.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 139.2 | 169 | 0 | 0 | 0 | 0 | 0 | 109.4 | I135 L143 V144 L174 K175 W177 W214 | I135-A154 HydrophobicContact CD1-CB 3.77Å; L143-A154 CarbonylContact O-C 3.55Å; V144-A154 HydrophobicContact CG2-CB 4.37Å; A154-L174 HydrophobicContact CB-CB 4.29Å; A154-L174 PolarHBondContact O-N 2.91Å; A154-K175 PolarHBondContact N-O 2.93Å; A154-K175 PolarHBondContact O-N 3.18Å; A154-W177 HydrophobicContact CB-CH2 3.76Å; A154-W177 HydrophobicContact CB-CZ3 3.66Å; A154-W214 HydrophobicContact CB-CH2 4.26Å |
| 155 | F | 97.3 | Very high | 86.2 | Confident | 9 Ų | 9 | 62 Ų | 62 | 4% | 0.039 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 150.3 | 174 | -56.5 | -95.9 | 0 | 0 | 0 | 109.3 | I123 E142 L143 V145 R153 L171 V172 | I123-F155 HydrophobicContact CB-CZ 4.5Å; I123-F155 HydrophobicContact CG2-CZ 4.45Å; E142-F155 WeakPolarHBondContact CA-O 3.4Å; L143-F155 HydrophobicContact CB-CB 4.33Å; L143-F155 PolarHBondContact N-O 2.99Å; L143-F155 PolarHBondContact O-N 2.8Å; V145-F155 HydrophobicContact CB-CE2 4.36Å; V145-F155 HydrophobicContact CG2-CD2 4.25Å; V145-F155 HydrophobicContact CG2-CE2 4.09Å; R153-F155 HydrophobicContact CB-CD2 4.42Å; R153-F155 HydrophobicContact CB-CE2 3.67Å; R153-F155 HydrophobicContact CB-CZ 4Å; F155-L171 HydrophobicContact CB-CB 4.23Å; F155-L171 HydrophobicContact CB-CD2 4.18Å; F155-L171 HydrophobicContact CD1-CB 4.38Å; F155-V172 CarbonylContact C-O 3.4Å; F155-V172 WeakPolarHBondContact CA-O 3.3Å |
| 156 | R | 95.8 | Very high | 84.5 | Confident | 48 Ų | 48 | 68.9 Ų | 68.9 | 18% | 0.181 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 144.2 | 168.8 | -179.4 | 174.7 | -70.6 | -175.3 | 1.7 | 109.4 | D136 D138 E142 V172 L174 | D136-R156 IonicContact OD1-NH2 3.41Å; D136-R156 IonicContact OD2-NH2 2.71Å; D136-R156 PolarHBondContact OD2-NH2 3.37Å; D136-R156 VanDerWaalsContact OD2-NH2 3.1Å; D138-R156 IonicContact OD1-CZ 3.15Å; D138-R156 IonicContact OD1-NH2 2.64Å; D138-R156 PolarHBondContact OD1-NH2 2.95Å; D138-R156 IonicContact OD2-CZ 2.73Å; D138-R156 IonicContact OD2-NH1 3.87Å; D138-R156 PolarHBondContact OD2-NH1 3.21Å; D138-R156 IonicContact OD2-NH2 3.25Å; D138-R156 PolarHBondContact OD2-NH2 3.24Å; E142-R156 IonicContact OE1-CZ 3.69Å; E142-R156 IonicContact OE1-NE 3.77Å; E142-R156 PolarHBondContact OE1-NE 2.85Å; E142-R156 IonicContact OE1-NH2 2.65Å; E142-R156 PolarHBondContact OE1-NH2 2.95Å; R156-V172 PolarHBondContact N-O 2.82Å; R156-V172 PolarHBondContact O-N 2.92Å; R156-L174 HydrophobicContact CB-CD1 3.79Å; R156-L174 HydrophobicContact CB-CD2 4.06Å; R156-L174 HydrophobicContact CB-CG 3.96Å |
| 157 | W | 95.8 | Very high | 83.4 | Confident | 17 Ų | 17 | 70.6 Ų | 70.6 | 6% | 0.064 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 126.5 | 172.4 | -175.7 | -95.4 | 0 | 0 | 0 | 110.4 | V73 C74 L92 F119 L167 G169 L171 | V73-W157 WeakPolarHBondContact O-CB 3.42Å; C74-W157 HydrophobicContact CB-CD2 4.45Å; C74-W157 HydrophobicContact CB-CG 4.18Å; C74-W157 VanDerWaalsContact SG-CE2 3.58Å; L92-W157 HydrophobicContact CD1-CE3 4.4Å; L92-W157 HydrophobicContact CD1-CH2 4.06Å; L92-W157 HydrophobicContact CD1-CZ3 3.78Å; F119-W157 AromaticContact CD1-CH2 3.79Å; F119-W157 HydrophobicContact CD1-CH2 3.79Å; F119-W157 AromaticContact CD1-CZ3 3.72Å; F119-W157 HydrophobicContact CD1-CZ3 3.72Å; F119-W157 AromaticContact CD2-CH2 3.86Å; F119-W157 HydrophobicContact CD2-CH2 3.86Å; F119-W157 AromaticContact CE1-CH2 3.83Å; F119-W157 HydrophobicContact CE1-CH2 3.83Å; F119-W157 AromaticContact CE1-CZ3 3.53Å; F119-W157 HydrophobicContact CE1-CZ3 3.53Å; F119-W157 AromaticContact CE2-CH2 3.92Å; F119-W157 HydrophobicContact CE2-CH2 3.92Å; F119-W157 HydrophobicContact CE2-CZ3 4.4Å; F119-W157 AromaticContact CG-CH2 3.79Å; F119-W157 HydrophobicContact CG-CH2 3.79Å; F119-W157 HydrophobicContact CG-CZ3 4.22Å; F119-W157 AromaticContact CZ-CH2 3.9Å; F119-W157 HydrophobicContact CZ-CH2 3.9Å; F119-W157 AromaticContact CZ-CZ3 3.9Å; F119-W157 HydrophobicContact CZ-CZ3 3.9Å; W157-L167 HydrophobicContact CZ2-CD2 3.92Å; W157-G169 VanDerWaalsContact CZ2-C 3.48Å; W157-L171 HydrophobicContact CE3-CD2 4.08Å; W157-L171 HydrophobicContact CE3-CG 4.2Å |
| 158 | E | 93.1 | Very high | 82.7 | Confident | 92 Ų | 92 | 73 Ų | 73 | 43% | 0.43 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 130.4 | 171.3 | -69.6 | -174.5 | -176.5 | 0 | 0 | 109.9 | G169 Q170 V172 | E158-G169 CarbonylContact O-C 3.6Å; E158-G169 WeakPolarHBondContact O-CA 3.43Å; E158-Q170 PolarHBondContact N-O 2.92Å; E158-Q170 PolarHBondContact O-N 3.01Å; E158-V172 HydrophobicContact CB-CG2 3.99Å; E158-V172 VanDerWaalsContact CD-CG2 3.48Å; E158-V172 HydrophobicContact CG-CB 4.21Å; E158-V172 HydrophobicContact CG-CG2 3.83Å; E158-V172 WeakPolarHBondContact OE2-CG2 3.29Å |
| 159 | E | 89.1 | Confident | 82.4 | Confident | 95 Ų | 95 | 70.4 Ų | 70.4 | 44% | 0.444 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 129.3 | 177.4 | -170.1 | 155.7 | -150.7 | 0 | 0 | 110.5 | K76 G161 | K76-E159 WeakPolarHBondContact CE-OE2 3.47Å; K76-E159 IonicContact NZ-OE1 2.69Å; K76-E159 PolarHBondContact NZ-OE1 2.74Å; K76-E159 IonicContact NZ-OE2 3.82Å; K76-E159 PolarHBondContact NZ-OE2 2.9Å; E159-G161 WeakPolarHBondContact CG-O 3.13Å |
| 160 | L | 81.5 | Confident | 82.4 | Confident | 131 Ų | 131 | 69.7 Ų | 69.7 | 69% | 0.686 | 36% | 0.355 | S | S | * | . | trans | -98.9 | -6 | -175.2 | -145 | 76.8 | 0 | 0 | 0 | 112.6 | T168 | L160-T168 PolarHBondContact N-O 3.35Š| ||
| 161 | G | 67.9 | Low | 82.4 | Confident | 33 Ų | 33 | 64.4 Ų | 64.4 | 34% | 0.34 | 34% | 0.336 | S | S | . | . | trans | 175.4 | 158.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | E159 G163 T168 | E159-G161 WeakPolarHBondContact CG-O 3.13Å; G161-G163 PolarHBondContact O-N 3.2Å; G161-T168 PolarHBondContact O-OG1 2.73Å | ||
| 162 | E | 57.1 | Low | 82.3 | Confident | 195 Ų | 195 | 66.1 Ų | 66.1 | 91% | 0.911 | 35% | 0.346 | S | S | * | . | trans | -89.5 | 85 | 176.6 | -66.1 | -177.1 | 172.9 | 0 | 0 | 110.3 | ||||
| 163 | G | 56.4 | Low | 82.1 | Confident | 34 Ų | 34 | 69 Ų | 69 | 35% | 0.351 | 37% | 0.366 | S | S | . | . | trans | -108.6 | 125.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | G161 E165 | G161-G163 PolarHBondContact O-N 3.2Å; G163-E165 VanDerWaalsContact C-N 3.27Å; G163-E165 PolarHBondContact O-N 2.9Å | ||
| 164 | P | 53.7 | Low | 82 | Confident | 137 Ų | 137 | 68.2 Ų | 68.2 | 89% | 0.89 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -73.6 | -9.6 | -173.4 | 26.1 | -32.5 | 0 | 0 | 0 | 115.1 | ||
| 165 | E | 53.5 | Low | 81.9 | Confident | 166 Ų | 166 | 69.2 Ų | 69.2 | 78% | 0.776 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -118 | -13.5 | -170.2 | -66.9 | -168.7 | 163 | 0 | 0 | 115.6 | G163 | G163-E165 VanDerWaalsContact C-N 3.27Å; G163-E165 PolarHBondContact O-N 2.9Å |
| 166 | H | 62.6 | Low | 81.8 | Confident | 143 Ų | 143 | 74 Ų | 74 | 66% | 0.662 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -140 | 140 | -178.3 | -68.1 | 74.3 | 0 | 0 | 0 | 110.6 | T168 | H166-T168 PolarHBondContact O-N 3.21Å; H166-T168 PolarHBondContact O-OG1 2.98Å |
| 167 | L | 74.8 | Confident | 81.9 | Confident | 37 Ų | 37 | 71.8 Ų | 71.8 | 19% | 0.194 | 38% | 0.383 | C | S | . | . | trans | -61.2 | 95.4 | 171.4 | -91 | 147.8 | 0 | 0 | 0 | 109.8 | C74 L80 V118 W157 G169 | C74-L167 HydrophobicContact CB-CD2 4.4Å; C74-L167 VanDerWaalsContact SG-CD2 3.6Å; L80-L167 HydrophobicContact CD1-CD1 4.2Å; L80-L167 HydrophobicContact CD1-CD2 4.5Å; V118-L167 HydrophobicContact CB-CD1 4.05Å; V118-L167 HydrophobicContact CG2-CD1 3.38Å; W157-L167 HydrophobicContact CZ2-CD2 3.92Å; L167-G169 PolarHBondContact O-N 3.41Å | ||
| 168 | T | 81.8 | Confident | 81.9 | Confident | 54 Ų | 54 | 76.4 Ų | 76.4 | 33% | 0.331 | 41% | 0.407 | S | S | . | . | trans | -98.7 | 73.4 | 179.7 | 42.4 | 0 | 0 | 0 | 0 | 110.5 | L160 G161 H166 | L160-T168 PolarHBondContact N-O 3.35Å; G161-T168 PolarHBondContact O-OG1 2.73Å; H166-T168 PolarHBondContact O-N 3.21Å; H166-T168 PolarHBondContact O-OG1 2.98Å | ||
| 169 | G | 89.2 | Confident | 82 | Confident | 8 Ų | 8 | 72.4 Ų | 72.4 | 8% | 0.082 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | -175.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F119 W157 E158 L167 | F119-G169 WeakPolarHBondContact CE2-O 3.37Å; F119-G169 WeakPolarHBondContact CZ-O 3.42Å; W157-G169 VanDerWaalsContact CZ2-C 3.48Å; E158-G169 CarbonylContact O-C 3.6Å; E158-G169 WeakPolarHBondContact O-CA 3.43Å; L167-G169 PolarHBondContact O-N 3.41Å |
| 170 | Q | 94.1 | Very high | 82.1 | Confident | 80 Ų | 80 | 75.1 Ų | 75.1 | 37% | 0.374 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 154.6 | 177.7 | 62.9 | 179.4 | 10.4 | 0 | 0 | 110.8 | E158 V172 | E158-Q170 PolarHBondContact N-O 2.92Å; E158-Q170 PolarHBondContact O-N 3.01Å; Q170-V172 HydrophobicContact CG-CG2 3.94Å |
| 171 | L | 95.6 | Very high | 82.7 | Confident | 7 Ų | 7 | 69.4 Ų | 69.4 | 4% | 0.037 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 121.1 | 166.2 | -69.5 | 173.7 | 0 | 0 | 0 | 109.9 | F90 Q121 I123 L143 F155 W157 | F90-L171 HydrophobicContact CD1-CD1 3.64Å; F90-L171 HydrophobicContact CD2-CD1 3.81Å; F90-L171 HydrophobicContact CE1-CD1 3.5Å; F90-L171 VanDerWaalsContact CE1-CD1 3.5Å; F90-L171 HydrophobicContact CE1-CG 4.06Å; F90-L171 HydrophobicContact CE2-CD1 3.69Å; F90-L171 HydrophobicContact CG-CD1 3.78Å; F90-L171 HydrophobicContact CZ-CD1 3.52Å; F90-L171 HydrophobicContact CZ-CD2 4.42Å; F90-L171 HydrophobicContact CZ-CG 4.2Å; Q121-L171 PolarHBondContact NE2-O 2.71Å; I123-L171 HydrophobicContact CG2-CD1 4.36Å; L143-L171 HydrophobicContact CB-CD2 4.47Å; L143-L171 HydrophobicContact CD2-CD1 3.56Å; L143-L171 HydrophobicContact CD2-CD2 4.21Å; F155-L171 HydrophobicContact CB-CB 4.23Å; F155-L171 HydrophobicContact CB-CD2 4.18Å; F155-L171 HydrophobicContact CD1-CB 4.38Å; W157-L171 HydrophobicContact CE3-CD2 4.08Å; W157-L171 HydrophobicContact CE3-CG 4.2Å |
| 172 | V | 95.2 | Very high | 83.9 | Confident | 38 Ų | 38 | 71.2 Ų | 71.2 | 23% | 0.23 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 132.5 | 174.1 | -179.5 | 0 | 0 | 0 | 0 | 109.3 | F155 R156 E158 Q170 L174 | F155-V172 CarbonylContact C-O 3.4Å; F155-V172 WeakPolarHBondContact CA-O 3.3Å; R156-V172 PolarHBondContact N-O 2.82Å; R156-V172 PolarHBondContact O-N 2.92Å; E158-V172 HydrophobicContact CB-CG2 3.99Å; E158-V172 VanDerWaalsContact CD-CG2 3.48Å; E158-V172 HydrophobicContact CG-CB 4.21Å; E158-V172 HydrophobicContact CG-CG2 3.83Å; E158-V172 WeakPolarHBondContact OE2-CG2 3.29Å; Q170-V172 HydrophobicContact CG-CG2 3.94Å; V172-L174 PolarHBondContact O-N 3.05Å |
| 173 | S | 95.2 | Very high | 85.7 | Confident | 60 Ų | 60 | 62 Ų | 62 | 42% | 0.42 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 118.5 | 179.6 | 179 | 0 | 0 | 0 | 0 | 109.9 | ||
| 174 | L | 94.9 | Very high | 87.5 | Confident | 49 Ų | 49 | 61.2 Ų | 61.2 | 26% | 0.257 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | -53.1 | 176.1 | -65.4 | -178.6 | 0 | 0 | 0 | 111.6 | E142 A154 R156 V172 W214 | E142-L174 HydrophobicContact CG-CD1 3.75Å; A154-L174 HydrophobicContact CB-CB 4.29Å; A154-L174 PolarHBondContact O-N 2.91Å; R156-L174 HydrophobicContact CB-CD1 3.79Å; R156-L174 HydrophobicContact CB-CD2 4.06Å; R156-L174 HydrophobicContact CB-CG 3.96Å; V172-L174 PolarHBondContact O-N 3.05Å; L174-W214 HydrophobicContact CB-CD2 4.4Å; L174-W214 HydrophobicContact CB-CE3 4.43Å; L174-W214 HydrophobicContact CD1-CZ2 4.02Å |
| 175 | K | 95.4 | Very high | 89.6 | Confident | 21 Ų | 21 | 55.1 Ų | 55.1 | 9% | 0.091 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 154.9 | -175.1 | -169.9 | 160.1 | 178.4 | -177.9 | 0 | 112.7 | R153 A154 W177 L211 T213 W214 D239 | R153-K175 VanDerWaalsContact CA-O 3.25Å; R153-K175 WeakPolarHBondContact CA-O 3.24Å; A154-K175 PolarHBondContact N-O 2.93Å; A154-K175 PolarHBondContact O-N 3.18Å; K175-W177 HydrophobicContact CB-CE3 4.44Å; K175-W177 HydrophobicContact CB-CH2 3.85Å; K175-W177 HydrophobicContact CB-CZ2 4.02Å; K175-W177 HydrophobicContact CB-CZ3 4.05Å; K175-W177 HydrophobicContact CD-CD2 4.34Å; K175-W177 HydrophobicContact CD-CH2 4.29Å; K175-W177 HydrophobicContact CD-CZ2 3.58Å; K175-W177 HydrophobicContact CG-CD2 4.04Å; K175-W177 HydrophobicContact CG-CE3 4.31Å; K175-W177 HydrophobicContact CG-CH2 4.16Å; K175-W177 HydrophobicContact CG-CZ2 3.86Å; K175-W177 HydrophobicContact CG-CZ3 4.36Å; K175-L211 PolarHBondContact NZ-O 3.11Å; K175-T213 PolarHBondContact NZ-OG1 2.81Å; K175-W214 HydrophobicContact CB-CE3 3.61Å; K175-W214 HydrophobicContact CB-CZ3 3.48Å; K175-W214 VanDerWaalsContact CB-CZ3 3.48Å; K175-W214 HydrophobicContact CD-CE3 3.71Å; K175-W214 HydrophobicContact CD-CZ3 3.74Å; K175-W214 HydrophobicContact CG-CE3 4.29Å; K175-W214 HydrophobicContact CG-CZ3 4.19Å; K175-D239 VanDerWaalsContact CE-OD2 3.29Å; K175-D239 WeakPolarHBondContact CE-OD2 3.3Å; K175-D239 IonicContact NZ-OD1 2.67Å; K175-D239 PolarHBondContact NZ-OD1 3.06Å; K175-D239 IonicContact NZ-OD2 3.2Å; K175-D239 PolarHBondContact NZ-OD2 3.27Å |
| 176 | K | 95.7 | Very high | 91.7 | Very high | 108 Ų | 108 | 48 Ų | 48 | 47% | 0.47 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 125.6 | 172.7 | 178.9 | -172.9 | 173.8 | -175.4 | 0 | 109 | V151 V152 R153 | V151-K176 HydrophobicContact CG1-CD 4.27Å; V151-K176 HydrophobicContact CG1-CG 3.75Å; V152-K176 WeakPolarHBondContact O-CA 3.33Å; R153-K176 HydrophobicContact CG-CB 4.2Å; R153-K176 HydrophobicContact CG-CG 4.15Å |
| 177 | W | 96.9 | Very high | 93.3 | Very high | 3 Ų | 3 | 41.7 Ų | 41.7 | 1% | 0.011 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 144.4 | 169.8 | -58.3 | -98.3 | 0 | 0 | 0 | 110 | V151 V152 A154 K175 L198 L210 L211 W214 D239 V240 | V151-W177 WeakPolarHBondContact CA-O 3.29Å; V152-W177 HydrophobicContact CB-CE3 4.34Å; V152-W177 HydrophobicContact CG1-CE3 4.11Å; V152-W177 HydrophobicContact CG1-CZ3 4.4Å; V152-W177 PolarHBondContact N-O 3.02Å; V152-W177 PolarHBondContact O-N 3.38Å; A154-W177 HydrophobicContact CB-CH2 3.76Å; A154-W177 HydrophobicContact CB-CZ3 3.66Å; K175-W177 HydrophobicContact CB-CE3 4.44Å; K175-W177 HydrophobicContact CB-CH2 3.85Å; K175-W177 HydrophobicContact CB-CZ2 4.02Å; K175-W177 HydrophobicContact CB-CZ3 4.05Å; K175-W177 HydrophobicContact CD-CD2 4.34Å; K175-W177 HydrophobicContact CD-CH2 4.29Å; K175-W177 HydrophobicContact CD-CZ2 3.58Å; K175-W177 HydrophobicContact CG-CD2 4.04Å; K175-W177 HydrophobicContact CG-CE3 4.31Å; K175-W177 HydrophobicContact CG-CH2 4.16Å; K175-W177 HydrophobicContact CG-CZ2 3.86Å; K175-W177 HydrophobicContact CG-CZ3 4.36Å; W177-L198 HydrophobicContact CH2-CD2 4.26Å; W177-L198 HydrophobicContact CZ3-CD2 4.48Å; W177-L210 HydrophobicContact CB-CD1 4.36Å; W177-L210 HydrophobicContact CB-CD2 4.01Å; W177-L210 HydrophobicContact CD2-CB 4.18Å; W177-L210 HydrophobicContact CD2-CD1 4.11Å; W177-L210 HydrophobicContact CE3-CD1 4.21Å; W177-L210 HydrophobicContact CG-CB 4.31Å; W177-L210 HydrophobicContact CG-CD1 4.21Å; W177-L210 HydrophobicContact CG-CD2 3.95Å; W177-L210 HydrophobicContact CG-CG 4.4Å; W177-L210 HydrophobicContact CZ2-CB 4.21Å; W177-L211 PolarHBondContact NE1-O 3.28Å; W177-W214 AromaticContact CH2-CH2 3.72Å; W177-W214 HydrophobicContact CH2-CH2 3.72Å; W177-W214 AromaticContact CH2-CZ3 3.47Å; W177-W214 HydrophobicContact CH2-CZ3 3.47Å; W177-W214 VanDerWaalsContact CH2-CZ3 3.47Å; W177-W214 HydrophobicContact CZ2-CH2 4.03Å; W177-W214 AromaticContact CZ2-CZ3 3.52Å; W177-W214 HydrophobicContact CZ2-CZ3 3.52Å; W177-D239 PolarHBondContact NE1-O 3.17Å; W177-V240 HydrophobicContact CB-CG2 4.12Å; W177-V240 HydrophobicContact CG-CG2 4.38Å |
| 178 | M | 96.3 | Very high | 94.3 | Very high | 113 Ų | 113 | 40.9 Ų | 40.9 | 56% | 0.557 | 22% | 0.215 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 125.3 | 173.5 | -177.4 | 66.2 | 73.4 | 0 | 0 | 108.2 | V151 | V151-M178 HydrophobicContact CG2-CE 3.52Å; V151-M178 HydrophobicContact CG2-SD 3.78Å |
| 179 | L | 95.5 | Very high | 94.8 | Very high | 9 Ų | 9 | 38.3 Ų | 38.3 | 5% | 0.047 | 20% | 0.199 | C | C | . | . | trans | -105.2 | 157.6 | -176.5 | -69.1 | 124.3 | 0 | 0 | 0 | 112 | R150 V152 V183 V200 Q202 A208 L210 V240 | R150-L179 HydrophobicContact CB-CB 4.41Å; R150-L179 WeakPolarHBondContact CB-O 3.24Å; R150-L179 WeakPolarHBondContact O-CB 3.26Å; R150-L179 PolarHBondContact O-N 2.92Å; V152-L179 HydrophobicContact CB-CD1 4.21Å; V152-L179 HydrophobicContact CG2-CD1 3.49Å; V152-L179 VanDerWaalsContact CG2-CD1 3.49Å; L179-V183 HydrophobicContact CD1-CG2 3.67Å; L179-V200 HydrophobicContact CD1-CG1 4.26Å; L179-V200 HydrophobicContact CD1-CG2 4.42Å; L179-V200 HydrophobicContact CD2-CG1 3.39Å; L179-V200 HydrophobicContact CG-CG1 4.46Å; L179-Q202 HydrophobicContact CD2-CG 4.44Å; L179-A208 HydrophobicContact CD2-CB 3.83Å; L179-L210 HydrophobicContact CD2-CD2 4.17Å; L179-V240 HydrophobicContact CD2-CG1 4.12Å | ||
| 180 | E | 91.3 | Very high | 94.7 | Very high | 151 Ų | 151 | 41.6 Ų | 41.6 | 71% | 0.706 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -72.7 | -39.4 | 178.1 | -62.2 | -171.5 | 165.8 | 0 | 0 | 111.4 | R150 | R150-E180 WeakPolarHBondContact CD-O 3.5Å; R150-E180 PolarHBondContact NH1-O 3.12Å |
| 181 | G | 92.7 | Very high | 94.1 | Very high | 12 Ų | 12 | 37.8 Ų | 37.8 | 12% | 0.124 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -112.8 | 175.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | R150 | R150-G181 WeakPolarHBondContact CB-O 3.45Å; R150-G181 WeakPolarHBondContact CG-O 3.35Å |
| 182 | Q | 94.1 | Very high | 93.1 | Very high | 71 Ų | 71 | 39.2 Ų | 39.2 | 33% | 0.332 | 21% | 0.206 | S | C | . | . | trans | -64.3 | 147.3 | 175 | -74.9 | -66.1 | -28.3 | 0 | 0 | 111.5 | T148 Q202 P203 | T148-Q182 PolarHBondContact O-NE2 3.17Å; T148-Q182 VanDerWaalsContact O-NE2 3.15Å; T148-Q182 PolarHBondContact O-OE1 3.42Å; T148-Q182 VanDerWaalsContact O-OE1 3.12Å; Q182-Q202 PolarHBondContact O-NE2 2.83Å; Q182-P203 HydrophobicContact CB-CG 4.34Å | ||
| 183 | V | 94.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -101.7 | 121.7 | 176.2 | 175.8 | 0 | 0 | 0 | 0 | 108.1 | K128 V129 V152 L179 L186 V200 | K128-V183 WeakPolarHBondContact CD-O 3.14Å; K128-V183 VanDerWaalsContact CE-O 3.28Å; K128-V183 WeakPolarHBondContact CE-O 3.4Å; K128-V183 PolarHBondContact NZ-O 3.29Å; V129-V183 HydrophobicContact CG1-CG1 3.88Å; V152-V183 HydrophobicContact CG2-CG1 4.34Å; V152-V183 HydrophobicContact CG2-CG2 3.97Å; L179-V183 HydrophobicContact CD1-CG2 3.67Å; V183-L186 HydrophobicContact CG1-CD2 4.37Å; V183-V200 HydrophobicContact CB-CG2 4.12Å; V183-V200 HydrophobicContact CG1-CG2 3.49Å; V183-V200 VanDerWaalsContact CG1-CG2 3.49Å; V183-V200 HydrophobicContact CG2-CG2 3.74Å | ||
| 184 | D | 95.3 | Very high | 91.6 | Very high | 18 Ų | 18 | 43.6 Ų | 43.6 | 10% | 0.096 | 23% | 0.234 | C | C | . | . | trans | -111.3 | -36.6 | 177.6 | -71.8 | -38.7 | 0 | 0 | 0 | 112 | H21 K128 S201 S255 T256 | H21-D184 PolarHBondContact NE2-O 3.43Å; K128-D184 WeakPolarHBondContact CE-OD1 3.46Å; K128-D184 IonicContact NZ-OD1 3.76Å; K128-D184 PolarHBondContact NZ-OD1 3.34Å; D184-S201 WeakPolarHBondContact CB-OG 3.41Å; D184-S201 PolarHBondContact N-OG 3.43Å; D184-S255 WeakPolarHBondContact OD2-CA 3.46Å; D184-S255 WeakPolarHBondContact OD2-CB 3.32Å; D184-T256 VanDerWaalsContact CB-O 3.29Å; D184-T256 WeakPolarHBondContact CB-O 3.37Å; D184-T256 PolarHBondContact OD2-N 2.75Å | ||
| 185 | S | 96.6 | Very high | 91.1 | Very high | 9 Ų | 9 | 44.8 Ų | 44.8 | 6% | 0.063 | 24% | 0.243 | C | C | . | . | trans | -142.2 | 159 | 175.9 | 75.3 | 0 | 0 | 0 | 0 | 113.1 | S201 L258 | S185-S201 PolarHBondContact N-OG 3.02Å; S185-S201 PolarHBondContact O-N 3.41Å; S185-S201 VanDerWaalsContact O-N 3.08Å; S185-L258 WeakPolarHBondContact OG-CA 3.48Å; S185-L258 PolarHBondContact OG-N 2.8Å; S185-L258 PolarHBondContact OG-O 2.84Å | ||
| 186 | L | 97.6 | Very high | 90.9 | Very high | 16 Ų | 16 | 45 Ų | 45 | 8% | 0.084 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 142.3 | 175.8 | -65 | 168.9 | 0 | 0 | 0 | 108.3 | V129 L131 V144 V152 V183 V200 | V129-L186 HydrophobicContact CG1-CD1 3.81Å; V129-L186 HydrophobicContact CG1-CG 3.85Å; V129-L186 HydrophobicContact CG2-CD1 4.33Å; V129-L186 HydrophobicContact CG2-CG 4.33Å; L131-L186 HydrophobicContact CB-CB 4.05Å; L131-L186 HydrophobicContact CB-CD1 4.3Å; L131-L186 HydrophobicContact CD2-CB 4.09Å; V144-L186 HydrophobicContact CB-CD1 4.32Å; V144-L186 HydrophobicContact CG1-CD1 3.82Å; V144-L186 HydrophobicContact CG1-CD2 4.37Å; V152-L186 HydrophobicContact CG1-CD2 4.21Å; V152-L186 HydrophobicContact CG2-CD2 4.15Å; V183-L186 HydrophobicContact CG1-CD2 4.37Å; L186-V200 HydrophobicContact CD2-CB 3.96Å; L186-V200 HydrophobicContact CD2-CG2 3.78Å |
| 187 | S | 97 | Very high | 90.7 | Very high | 12 Ų | 12 | 42.5 Ų | 42.5 | 8% | 0.084 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 156.6 | 171.8 | -167.3 | 0 | 0 | 0 | 0 | 110.6 | M199 G260 | S187-M199 PolarHBondContact N-O 3.49Å; S187-M199 PolarHBondContact O-N 3.24Å; S187-G260 VanDerWaalsContact OG-CA 3.32Å; S187-G260 WeakPolarHBondContact OG-CA 3.39Å; S187-G260 PolarHBondContact OG-N 2.86Å |
| 188 | V | 95.1 | Very high | 90.7 | Very high | 20 Ų | 20 | 42.4 Ų | 42.4 | 12% | 0.121 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 141.6 | 164.2 | 175.1 | 0 | 0 | 0 | 0 | 109 | L131 I135 P196 E197 L198 N261 | L131-V188 HydrophobicContact CD2-CG2 4.02Å; I135-V188 HydrophobicContact CB-CG2 4.44Å; I135-V188 HydrophobicContact CG2-CG2 3.79Å; V188-P196 HydrophobicContact CG1-CB 3.58Å; V188-E197 WeakPolarHBondContact CA-O 3.19Å; V188-L198 HydrophobicContact CG2-CD1 4.4Å; V188-N261 WeakPolarHBondContact O-CB 3.17Å |
| 189 | T | 92.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 164.3 | 169.8 | -172.7 | 0 | 0 | 0 | 0 | 109.4 | P196 E197 M199 E290 | T189-P196 CarbonylContact O-C 3.55Å; T189-P196 WeakPolarHBondContact O-CA 3.36Å; T189-E197 HydrophobicContact CG2-CB 3.99Å; T189-E197 PolarHBondContact N-O 3.15Å; T189-E197 PolarHBondContact O-N 3.35Å; T189-M199 HydrophobicContact CG2-CE 4.36Å; T189-M199 HydrophobicContact CG2-CG 3.67Å; T189-M199 HydrophobicContact CG2-SD 3.35Å; T189-M199 WeakPolarHBondContact CG2-SD 3.4Å; T189-E290 WeakPolarHBondContact CG2-OE2 3.46Å; T189-E290 PolarHBondContact OG1-OE2 3.24Å |
| 190 | L | 87.9 | Confident | 90.7 | Very high | 76 Ų | 76 | 36.6 Ų | 36.6 | 40% | 0.398 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 111.7 | 169.1 | -68.9 | 173.7 | 0 | 0 | 0 | 108.3 | G274 | L190-G274 WeakPolarHBondContact O-CA 3.26Å; L190-G274 PolarHBondContact O-N 3.03Å |
| 191 | G | 81.8 | Confident | 91 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -63.9 | 170.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L193 G194 V195 G272 | G191-L193 PolarHBondContact O-N 2.84Å; G191-G194 WeakPolarHBondContact O-CA 3.18Å; G191-G194 PolarHBondContact O-N 2.87Å; G191-V195 PolarHBondContact N-O 2.9Å; G191-G272 VanDerWaalsContact O-O 3.11Å | ||
| 192 | P | 74.8 | Confident | 91.2 | Very high | 37 Ų | 37 | 29.1 Ų | 29.1 | 24% | 0.24 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -23.6 | -172.3 | -24.5 | 33.7 | 0 | 0 | 0 | 115.1 | G194 E290 E292 | P192-G194 VanDerWaalsContact C-N 3.31Å; P192-E290 HydrophobicContact CG-CG 4.35Å; P192-E292 HydrophobicContact CB-CB 4.45Å; P192-E292 HydrophobicContact CB-CG 3.43Å; P192-E292 VanDerWaalsContact CB-CG 3.43Å; P192-E292 HydrophobicContact CG-CG 4.01Å |
| 193 | L | 78.1 | Confident | 91.2 | Very high | 145 Ų | 145 | 27.3 Ų | 27.3 | 76% | 0.759 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | 7.4 | 177.5 | -60.3 | 176.3 | 0 | 0 | 0 | 113.1 | G191 V195 | G191-L193 PolarHBondContact O-N 2.84Å; L193-V195 HydrophobicContact CB-CG2 4.25Å; L193-V195 PolarHBondContact O-N 2.78Å |
| 194 | G | 80.4 | Confident | 91.1 | Very high | 46 Ų | 46 | 27.5 Ų | 27.5 | 47% | 0.474 | 17% | 0.166 | S | C | . | . | S | Bend | trans | 71.4 | 13.4 | -174 | 0 | 0 | 0 | 0 | 0 | 114.3 | G191 P192 | G191-G194 WeakPolarHBondContact O-CA 3.18Å; G191-G194 PolarHBondContact O-N 2.87Å; P192-G194 VanDerWaalsContact C-N 3.31Å |
| 195 | V | 84.9 | Confident | 91 | Very high | 74 Ų | 74 | 26.8 Ų | 26.8 | 45% | 0.448 | 16% | 0.162 | S | C | . | . | trans | -92.8 | 140.5 | 177.5 | -179.7 | 0 | 0 | 0 | 0 | 108.6 | G191 L193 E197 | G191-V195 PolarHBondContact N-O 2.9Å; L193-V195 HydrophobicContact CB-CG2 4.25Å; L193-V195 PolarHBondContact O-N 2.78Å; V195-E197 PolarHBondContact O-N 3.19Å | ||
| 196 | P | 90.8 | Very high | 90.9 | Very high | 26 Ų | 26 | 26.7 Ų | 26.7 | 17% | 0.169 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 136.1 | 176.3 | 24.9 | -34.3 | 0 | 0 | 0 | 111.7 | G137 V188 T189 | G137-P196 VanDerWaalsContact CA-CG 3.5Å; G137-P196 VanDerWaalsContact N-CG 3.28Å; V188-P196 HydrophobicContact CG1-CB 3.58Å; T189-P196 CarbonylContact O-C 3.55Å; T189-P196 WeakPolarHBondContact O-CA 3.36Å |
| 197 | E | 91.6 | Very high | 90.8 | Very high | 54 Ų | 54 | 26 Ų | 26 | 25% | 0.252 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 125.5 | 174 | -64.2 | -162.6 | -171.3 | 0 | 0 | 110.3 | V188 T189 V195 M199 I209 | V188-E197 WeakPolarHBondContact CA-O 3.19Å; T189-E197 HydrophobicContact CG2-CB 3.99Å; T189-E197 PolarHBondContact N-O 3.15Å; T189-E197 PolarHBondContact O-N 3.35Å; V195-E197 PolarHBondContact O-N 3.19Å; E197-M199 PolarHBondContact O-N 3.12Å; E197-I209 HydrophobicContact CB-CG2 4.24Å; E197-I209 WeakPolarHBondContact OE2-CD1 3.27Å; E197-I209 WeakPolarHBondContact OE2-CG2 3.34Å |
| 198 | L | 95.8 | Very high | 90.7 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 113.1 | 177.2 | 176.8 | 60.7 | 0 | 0 | 0 | 110 | L131 I135 V144 W177 V188 I209 L210 | L131-L198 HydrophobicContact CD2-CD1 4.07Å; I135-L198 HydrophobicContact CB-CB 4.44Å; I135-L198 HydrophobicContact CD1-CD2 4.16Å; I135-L198 HydrophobicContact CG2-CD1 4.36Å; V144-L198 HydrophobicContact CG1-CD1 4.43Å; V144-L198 HydrophobicContact CG1-CD2 3.98Å; V144-L198 HydrophobicContact CG2-CD2 4.19Å; W177-L198 HydrophobicContact CH2-CD2 4.26Å; W177-L198 HydrophobicContact CZ3-CD2 4.48Å; V188-L198 HydrophobicContact CG2-CD1 4.4Å; L198-I209 WeakPolarHBondContact O-CA 3.38Å; L198-L210 HydrophobicContact CB-CB 4.3Å; L198-L210 HydrophobicContact CD2-CB 3.99Å; L198-L210 HydrophobicContact CD2-CD1 3.88Å; L198-L210 HydrophobicContact CD2-CG 4.45Å; L198-L210 HydrophobicContact CG-CB 4.12Å; L198-L210 HydrophobicContact CG-CD1 4.21Å; L198-L210 HydrophobicContact CG-CG 4.46Å; L198-L210 PolarHBondContact O-N 3.14Å |
| 199 | M | 96 | Very high | 90.7 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 143.9 | 176.6 | -53.8 | -178.9 | 95.1 | 0 | 0 | 111.1 | S187 T189 E197 Y207 A208 L258 F276 | S187-M199 PolarHBondContact N-O 3.49Å; S187-M199 PolarHBondContact O-N 3.24Å; T189-M199 HydrophobicContact CG2-CE 4.36Å; T189-M199 HydrophobicContact CG2-CG 3.67Å; T189-M199 HydrophobicContact CG2-SD 3.35Å; T189-M199 WeakPolarHBondContact CG2-SD 3.4Å; E197-M199 PolarHBondContact O-N 3.12Å; M199-Y207 HydrophobicContact CE-CD2 3.46Å; M199-Y207 VanDerWaalsContact CE-CD2 3.46Å; M199-Y207 HydrophobicContact CE-CE2 3.45Å; M199-Y207 VanDerWaalsContact CE-CE2 3.45Å; M199-Y207 HydrophobicContact CE-CG 4.21Å; M199-A208 WeakPolarHBondContact CA-O 3.39Å; M199-L258 HydrophobicContact CB-CD1 4.38Å; M199-L258 HydrophobicContact CB-CD2 3.67Å; M199-L258 HydrophobicContact CE-CD1 4.03Å; M199-L258 HydrophobicContact SD-CD1 4.23Å; M199-L258 HydrophobicContact SD-CD2 4.19Å; M199-F276 HydrophobicContact CE-CB 4.47Å; M199-F276 HydrophobicContact CE-CD1 3.86Å; M199-F276 HydrophobicContact CE-CD2 3.8Å; M199-F276 HydrophobicContact CE-CE1 3.94Å; M199-F276 HydrophobicContact CE-CE2 3.86Å; M199-F276 HydrophobicContact CE-CG 3.79Å; M199-F276 HydrophobicContact CE-CZ 3.94Å; M199-F276 HydrophobicContact SD-CB 4.19Å; M199-F276 HydrophobicContact SD-CD1 4.41Å; M199-F276 HydrophobicContact SD-CG 4.14Å |
| 200 | V | 97.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 134.4 | 173.9 | 61 | 0 | 0 | 0 | 0 | 110.3 | V152 L179 V183 L186 Y207 A208 L210 | V152-V200 HydrophobicContact CG2-CG2 4.21Å; L179-V200 HydrophobicContact CD1-CG1 4.26Å; L179-V200 HydrophobicContact CD1-CG2 4.42Å; L179-V200 HydrophobicContact CD2-CG1 3.39Å; L179-V200 HydrophobicContact CG-CG1 4.46Å; V183-V200 HydrophobicContact CB-CG2 4.12Å; V183-V200 HydrophobicContact CG1-CG2 3.49Å; V183-V200 VanDerWaalsContact CG1-CG2 3.49Å; V183-V200 HydrophobicContact CG2-CG2 3.74Å; L186-V200 HydrophobicContact CD2-CB 3.96Å; L186-V200 HydrophobicContact CD2-CG2 3.78Å; V200-Y207 CarbonylContact O-C 3.54Å; V200-Y207 WeakPolarHBondContact O-CA 3.4Å; V200-Y207 VanDerWaalsContact O-CB 3.31Å; V200-Y207 WeakPolarHBondContact O-CB 3.24Å; V200-A208 HydrophobicContact CG1-CB 3.86Å; V200-A208 WeakPolarHBondContact CG1-O 3.37Å; V200-A208 PolarHBondContact N-O 3.17Å; V200-A208 PolarHBondContact O-N 3.27Å; V200-L210 HydrophobicContact CB-CD1 4.35Å; V200-L210 HydrophobicContact CG1-CD1 4.04Å; V200-L210 HydrophobicContact CG1-CD2 3.96Å; V200-L210 HydrophobicContact CG1-CG 3.89Å |
| 201 | S | 96.8 | Very high | 91 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 145.2 | 177.9 | 74.4 | 0 | 0 | 0 | 0 | 111.5 | D184 S185 T256 | D184-S201 WeakPolarHBondContact CB-OG 3.41Å; D184-S201 PolarHBondContact N-OG 3.43Å; S185-S201 PolarHBondContact N-OG 3.02Å; S185-S201 PolarHBondContact O-N 3.41Å; S185-S201 VanDerWaalsContact O-N 3.08Å; S201-T256 WeakPolarHBondContact CB-O 3.35Å; S201-T256 PolarHBondContact OG-O 2.91Å |
| 202 | Q | 96.2 | Very high | 91.4 | Very high | 6 Ų | 6 | 26.4 Ų | 26.4 | 3% | 0.028 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 151 | 175.4 | -69 | -68.8 | -80.1 | 0 | 0 | 110.1 | L179 Q182 A206 A208 L242 T256 | L179-Q202 HydrophobicContact CD2-CG 4.44Å; Q182-Q202 PolarHBondContact O-NE2 2.83Å; Q202-A206 HydrophobicContact CB-CB 3.92Å; Q202-A206 PolarHBondContact N-O 3.02Å; Q202-A206 PolarHBondContact O-N 3.1Å; Q202-A208 HydrophobicContact CG-CB 4.23Å; Q202-L242 HydrophobicContact CB-CD1 4.29Å; Q202-L242 HydrophobicContact CG-CD1 3.88Å; Q202-T256 WeakPolarHBondContact O-CB 3.21Å; Q202-T256 PolarHBondContact O-OG1 2.77Å |
| 203 | P | 94.7 | Very high | 91.8 | Very high | 33 Ų | 33 | 26.7 Ų | 26.7 | 21% | 0.214 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 149.5 | 179.9 | -25.1 | 35.1 | 0 | 0 | 0 | 113 | Q182 K252 V254 | Q182-P203 HydrophobicContact CB-CG 4.34Å; P203-K252 CarbonylContact C-O 3.57Å; P203-V254 CarbonylContact C-O 3.55Å; P203-V254 WeakPolarHBondContact CA-O 3.49Å |
| 204 | G | 92.5 | Very high | 91.9 | Very high | 5 Ų | 5 | 22.8 Ų | 22.8 | 5% | 0.052 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | 33.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | A206 I249 K252 V254 | G204-A206 PolarHBondContact O-N 3.01Å; G204-I249 WeakPolarHBondContact O-CD1 3.47Å; G204-K252 VanDerWaalsContact CA-O 3.29Å; G204-K252 WeakPolarHBondContact CA-O 3.21Å; G204-K252 PolarHBondContact N-O 2.95Å; G204-V254 PolarHBondContact N-O 3.14Å |
| 205 | C | 93.2 | Very high | 91.2 | Very high | 2 Ų | 2 | 24.9 Ų | 24.9 | 1% | 0.014 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 36.4 | -175.4 | -160.4 | 0 | 0 | 0 | 0 | 112.5 | T245 T256 T280 | C205-T245 WeakPolarHBondContact O-CB 3.25Å; C205-T245 WeakPolarHBondContact O-CG2 3.41Å; C205-T245 PolarHBondContact O-OG1 2.77Å; C205-T256 WeakPolarHBondContact CA-OG1 3.21Å; C205-T256 PolarHBondContact N-OG1 3.25Å; C205-T280 HydrophobicContact CB-CG2 3.55Å |
| 206 | A | 94.1 | Very high | 89.7 | Confident | 7 Ų | 7 | 29.1 Ų | 29.1 | 6% | 0.058 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 170.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q202 G204 H243 | Q202-A206 HydrophobicContact CB-CB 3.92Å; Q202-A206 PolarHBondContact N-O 3.02Å; Q202-A206 PolarHBondContact O-N 3.1Å; G204-A206 PolarHBondContact O-N 3.01Å; A206-H243 WeakPolarHBondContact CB-O 3.44Å |
| 207 | Y | 95.4 | Very high | 87.5 | Confident | 3 Ų | 3 | 35.3 Ų | 35.3 | 1% | 0.012 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 164.5 | 172.1 | 59.8 | -80.2 | 0 | 0 | 0 | 109.6 | M199 V200 I209 H243 T245 L258 F276 L278 D295 | M199-Y207 HydrophobicContact CE-CD2 3.46Å; M199-Y207 VanDerWaalsContact CE-CD2 3.46Å; M199-Y207 HydrophobicContact CE-CE2 3.45Å; M199-Y207 VanDerWaalsContact CE-CE2 3.45Å; M199-Y207 HydrophobicContact CE-CG 4.21Å; V200-Y207 CarbonylContact O-C 3.54Å; V200-Y207 WeakPolarHBondContact O-CA 3.4Å; V200-Y207 VanDerWaalsContact O-CB 3.31Å; V200-Y207 WeakPolarHBondContact O-CB 3.24Å; Y207-I209 HydrophobicContact CD2-CG1 4.39Å; Y207-I209 HydrophobicContact CE2-CD1 4.47Å; Y207-I209 HydrophobicContact CE2-CG1 4.31Å; Y207-H243 HydrophobicContact CD1-CB 4.29Å; Y207-H243 HydrophobicContact CD2-CB 4.01Å; Y207-H243 HydrophobicContact CE1-CB 3.79Å; Y207-H243 HydrophobicContact CE2-CB 3.5Å; Y207-H243 VanDerWaalsContact CE2-CB 3.5Å; Y207-H243 AromaticContact CE2-CG 3.68Å; Y207-H243 AromaticContact CE2-ND1 3.64Å; Y207-H243 HydrophobicContact CG-CB 4.38Å; Y207-H243 AromaticContact CZ-CG 3.9Å; Y207-H243 PolarHBondContact N-O 2.81Å; Y207-H243 VanDerWaalsContact N-O 3.16Å; Y207-H243 PolarHBondContact O-N 2.81Å; Y207-H243 VanDerWaalsContact O-O 3.06Å; Y207-T245 HydrophobicContact CD1-CG2 4.36Å; Y207-T245 HydrophobicContact CE1-CG2 3.97Å; Y207-L258 HydrophobicContact CD1-CD1 4.44Å; Y207-L258 HydrophobicContact CG-CD1 4.04Å; Y207-F276 HydrophobicContact CD1-CE2 4.07Å; Y207-F276 AromaticContact CE1-CE2 3.6Å; Y207-F276 HydrophobicContact CE1-CE2 3.6Å; Y207-F276 AromaticContact CE1-CZ 3.78Å; Y207-F276 HydrophobicContact CE1-CZ 3.78Å; Y207-F276 HydrophobicContact CE2-CE2 4.37Å; Y207-F276 HydrophobicContact CE2-CZ 4.18Å; Y207-F276 AromaticContact CZ-CE2 3.77Å; Y207-F276 AromaticContact CZ-CZ 3.51Å; Y207-F276 WeakPolarHBondContact OH-CZ 3.34Å; Y207-L278 HydrophobicContact CD1-CD1 3.9Å; Y207-L278 HydrophobicContact CE1-CD1 4.21Å; Y207-D295 WeakPolarHBondContact OH-CB 3.44Å; Y207-D295 PolarHBondContact OH-OD2 2.81Å |
| 208 | A | 95.3 | Very high | 85 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 149.5 | 170 | 0 | 0 | 0 | 0 | 0 | 110.3 | L179 M199 V200 Q202 V240 V241 L242 | L179-A208 HydrophobicContact CD2-CB 3.83Å; M199-A208 WeakPolarHBondContact CA-O 3.39Å; V200-A208 HydrophobicContact CG1-CB 3.86Å; V200-A208 WeakPolarHBondContact CG1-O 3.37Å; V200-A208 PolarHBondContact N-O 3.17Å; V200-A208 PolarHBondContact O-N 3.27Å; Q202-A208 HydrophobicContact CG-CB 4.23Å; A208-V240 HydrophobicContact CB-CG1 3.76Å; A208-V241 CarbonylContact C-O 3.51Å; A208-V241 WeakPolarHBondContact CA-O 3.29Å; A208-L242 HydrophobicContact CB-CD1 4.27Å |
| 209 | I | 94.3 | Very high | 82 | Confident | 11 Ų | 11 | 42.4 Ų | 42.4 | 6% | 0.056 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 127.6 | 170.9 | -58.4 | -179.6 | 0 | 0 | 0 | 107.5 | E197 L198 Y207 L211 V241 H243 | E197-I209 HydrophobicContact CB-CG2 4.24Å; E197-I209 WeakPolarHBondContact OE2-CD1 3.27Å; E197-I209 WeakPolarHBondContact OE2-CG2 3.34Å; L198-I209 WeakPolarHBondContact O-CA 3.38Å; Y207-I209 HydrophobicContact CD2-CG1 4.39Å; Y207-I209 HydrophobicContact CE2-CD1 4.47Å; Y207-I209 HydrophobicContact CE2-CG1 4.31Å; I209-L211 HydrophobicContact CG2-CD2 4.34Å; I209-V241 HydrophobicContact CB-CB 4.44Å; I209-V241 PolarHBondContact N-O 2.81Å; I209-V241 PolarHBondContact O-N 2.65Å; I209-H243 VanDerWaalsContact CD1-CE1 3.42Å; I209-H243 WeakPolarHBondContact CD1-CE1 3.39Å |
| 210 | L | 95.1 | Very high | 78.8 | Confident | 3 Ų | 3 | 47.4 Ų | 47.4 | 2% | 0.016 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 113.2 | -177.7 | -59.1 | -172.7 | 0 | 0 | 0 | 109.4 | V152 W177 L179 L198 V200 V240 | V152-L210 HydrophobicContact CB-CD1 3.88Å; V152-L210 HydrophobicContact CG1-CD1 3.71Å; V152-L210 HydrophobicContact CG2-CD1 4.16Å; W177-L210 HydrophobicContact CB-CD1 4.36Å; W177-L210 HydrophobicContact CB-CD2 4.01Å; W177-L210 HydrophobicContact CD2-CB 4.18Å; W177-L210 HydrophobicContact CD2-CD1 4.11Å; W177-L210 HydrophobicContact CE3-CD1 4.21Å; W177-L210 HydrophobicContact CG-CB 4.31Å; W177-L210 HydrophobicContact CG-CD1 4.21Å; W177-L210 HydrophobicContact CG-CD2 3.95Å; W177-L210 HydrophobicContact CG-CG 4.4Å; W177-L210 HydrophobicContact CZ2-CB 4.21Å; L179-L210 HydrophobicContact CD2-CD2 4.17Å; L198-L210 HydrophobicContact CB-CB 4.3Å; L198-L210 HydrophobicContact CD2-CB 3.99Å; L198-L210 HydrophobicContact CD2-CD1 3.88Å; L198-L210 HydrophobicContact CD2-CG 4.45Å; L198-L210 HydrophobicContact CG-CB 4.12Å; L198-L210 HydrophobicContact CG-CD1 4.21Å; L198-L210 HydrophobicContact CG-CG 4.46Å; L198-L210 PolarHBondContact O-N 3.14Å; V200-L210 HydrophobicContact CB-CD1 4.35Å; V200-L210 HydrophobicContact CG1-CD1 4.04Å; V200-L210 HydrophobicContact CG1-CD2 3.96Å; V200-L210 HydrophobicContact CG1-CG 3.89Å; L210-V240 HydrophobicContact CD2-CB 4.38Å; L210-V240 HydrophobicContact CD2-CG1 4.02Å; L210-V240 HydrophobicContact CD2-CG2 3.86Å |
| 211 | L | 92 | Very high | 75.9 | Confident | 70 Ų | 70 | 53 Ų | 53 | 37% | 0.366 | 31% | 0.308 | S | S | . | . | trans | -80.1 | 126.9 | -175.2 | -58.5 | -179.5 | 0 | 0 | 0 | 111.5 | K175 W177 I209 T213 D239 V241 | K175-L211 PolarHBondContact NZ-O 3.11Å; W177-L211 PolarHBondContact NE1-O 3.28Å; I209-L211 HydrophobicContact CG2-CD2 4.34Å; L211-T213 HydrophobicContact CB-CG2 4.03Å; L211-T213 PolarHBondContact O-N 2.99Å; L211-T213 VanDerWaalsContact O-N 3.1Å; L211-D239 PolarHBondContact N-O 3.17Å; L211-V241 HydrophobicContact CD1-CG2 4.09Å; L211-V241 HydrophobicContact CD2-CG2 4.48Å; L211-V241 HydrophobicContact CG-CG2 4.27Å | ||
| 212 | C | 89.2 | Confident | 73 | Confident | 31 Ų | 31 | 59.1 Ų | 59.1 | 21% | 0.209 | 35% | 0.348 | C | S | . | . | trans | -81.5 | 75.8 | 176 | -59.7 | 0 | 0 | 0 | 0 | 111 | I135 D136 W214 | I135-C212 PolarHBondContact O-SG 2.91Å; I135-C212 VanDerWaalsContact O-SG 3.36Å; D136-C212 HydrophobicContact CB-CB 3.98Å; C212-W214 HydrophobicContact CB-CD2 4.37Å; C212-W214 HydrophobicContact CB-CE3 4.28Å; C212-W214 HydrophobicContact CB-CH2 3.47Å; C212-W214 VanDerWaalsContact CB-CH2 3.47Å; C212-W214 HydrophobicContact CB-CZ2 3.55Å; C212-W214 HydrophobicContact CB-CZ3 3.86Å; C212-W214 PolarHBondContact O-N 2.64Å; C212-W214 WeakPolarHBondContact SG-CH2 3.28Å | ||
| 213 | T | 83.1 | Confident | 70.1 | Confident | 43 Ų | 43 | 63.3 Ų | 63.3 | 26% | 0.264 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -83.8 | -2.8 | -172.4 | 63.3 | 0 | 0 | 0 | 0 | 115.5 | K175 L211 K215 K216 D239 | K175-T213 PolarHBondContact NZ-OG1 2.81Å; L211-T213 HydrophobicContact CB-CG2 4.03Å; L211-T213 PolarHBondContact O-N 2.99Å; L211-T213 VanDerWaalsContact O-N 3.1Å; T213-K215 PolarHBondContact O-N 2.83Å; T213-K215 VanDerWaalsContact O-N 3.1Å; T213-K216 PolarHBondContact O-N 3.34Å; T213-K216 VanDerWaalsContact O-N 3.08Å; T213-D239 VanDerWaalsContact CG2-OD1 3.28Å; T213-D239 WeakPolarHBondContact CG2-OD1 3.43Å; T213-D239 PolarHBondContact OG1-OD1 3.02Å |
| 214 | W | 81.9 | Confident | 67.5 | Low | 64 Ų | 64 | 67 Ų | 67 | 24% | 0.242 | 41% | 0.41 | C | S | . | . | G | 310 helix | trans | -65.1 | -12.4 | 177.7 | 55.1 | 86.5 | 0 | 0 | 0 | 113.6 | I135 D136 A154 L174 K175 W177 C212 K216 | I135-W214 HydrophobicContact CD1-CH2 3.71Å; I135-W214 HydrophobicContact CD1-CZ2 4.06Å; I135-W214 HydrophobicContact CG1-CH2 4.24Å; I135-W214 HydrophobicContact CG1-CZ2 4.18Å; D136-W214 HydrophobicContact CB-CZ2 3.98Å; D136-W214 PolarHBondContact OD2-NE1 2.84Å; A154-W214 HydrophobicContact CB-CH2 4.26Å; L174-W214 HydrophobicContact CB-CD2 4.4Å; L174-W214 HydrophobicContact CB-CE3 4.43Å; L174-W214 HydrophobicContact CD1-CZ2 4.02Å; K175-W214 HydrophobicContact CB-CE3 3.61Å; K175-W214 HydrophobicContact CB-CZ3 3.48Å; K175-W214 VanDerWaalsContact CB-CZ3 3.48Å; K175-W214 HydrophobicContact CD-CE3 3.71Å; K175-W214 HydrophobicContact CD-CZ3 3.74Å; K175-W214 HydrophobicContact CG-CE3 4.29Å; K175-W214 HydrophobicContact CG-CZ3 4.19Å; W177-W214 AromaticContact CH2-CH2 3.72Å; W177-W214 HydrophobicContact CH2-CH2 3.72Å; W177-W214 AromaticContact CH2-CZ3 3.47Å; W177-W214 HydrophobicContact CH2-CZ3 3.47Å; W177-W214 VanDerWaalsContact CH2-CZ3 3.47Å; W177-W214 HydrophobicContact CZ2-CH2 4.03Å; W177-W214 AromaticContact CZ2-CZ3 3.52Å; W177-W214 HydrophobicContact CZ2-CZ3 3.52Å; C212-W214 HydrophobicContact CB-CD2 4.37Å; C212-W214 HydrophobicContact CB-CE3 4.28Å; C212-W214 HydrophobicContact CB-CH2 3.47Å; C212-W214 VanDerWaalsContact CB-CH2 3.47Å; C212-W214 HydrophobicContact CB-CZ2 3.55Å; C212-W214 HydrophobicContact CB-CZ3 3.86Å; C212-W214 PolarHBondContact O-N 2.64Å; C212-W214 WeakPolarHBondContact SG-CH2 3.28Å; W214-K216 VanDerWaalsContact C-N 3.31Å; W214-K216 PolarHBondContact O-N 2.96Å |
| 215 | K | 64.3 | Low | 64.8 | Low | 89 Ų | 89 | 76.1 Ų | 76.1 | 39% | 0.387 | 45% | 0.451 | S | S | . | . | G | 310 helix | trans | -73.8 | -15.5 | 172.3 | -67.2 | -167.1 | 172.8 | -179.3 | 0 | 114.2 | D136 T213 D217 | D136-K215 PolarHBondContact O-NZ 2.86Å; D136-K215 WeakPolarHBondContact OD1-CE 3.39Å; D136-K215 IonicContact OD1-NZ 3.76Å; D136-K215 PolarHBondContact OD1-NZ 2.74Å; D136-K215 VanDerWaalsContact OD2-CE 3.23Å; D136-K215 WeakPolarHBondContact OD2-CE 3.29Å; D136-K215 IonicContact OD2-NZ 2.73Å; T213-K215 PolarHBondContact O-N 2.83Å; T213-K215 VanDerWaalsContact O-N 3.1Å; K215-D217 VanDerWaalsContact C-N 3.32Å; K215-D217 PolarHBondContact O-N 3.5Å |
| 216 | K | 54 | Low | 61.9 | Low | 163 Ų | 163 | 79.6 Ų | 79.6 | 71% | 0.709 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -78.9 | 2 | -169.1 | -80.7 | -174.1 | 175.2 | 178.3 | 0 | 116.6 | T213 W214 | T213-K216 PolarHBondContact O-N 3.34Å; T213-K216 VanDerWaalsContact O-N 3.08Å; W214-K216 VanDerWaalsContact C-N 3.31Å; W214-K216 PolarHBondContact O-N 2.96Å |
| 217 | D | 44.2 | Very low | 59.3 | Low | 157 Ų | 157 | 84.8 Ų | 84.8 | 84% | 0.84 | 52% | 0.52 | S | S | * | . | G | 310 helix | trans | -101.8 | 18.6 | -177.1 | -77.3 | -25.7 | 0 | 0 | 0 | 115.9 | K215 | K215-D217 VanDerWaalsContact C-N 3.32Å; K215-D217 PolarHBondContact O-N 3.5Å |
| 218 | T | 39.4 | Very low | 56.2 | Low | 142 Ų | 142 | 91.3 Ų | 91.3 | 87% | 0.871 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -98.7 | 5.8 | 173.9 | 50.4 | 0 | 0 | 0 | 0 | 115 | ||
| 219 | G | 32.1 | Very low | 53.1 | Low | 61 Ų | 61 | 99.2 Ų | 99.2 | 63% | 0.629 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -100.9 | 121.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 220 | S | 30.6 | Very low | 50 | Low | 106 Ų | 106 | 101.4 Ų | 101.4 | 74% | 0.741 | 63% | 0.628 | S | S | * | * | trans | -37.2 | 140.2 | 176 | 51.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 221 | P | 34.8 | Very low | 47.5 | Very low | 117 Ų | 117 | 107.1 Ų | 107.1 | 76% | 0.76 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 133 | 172.7 | 25.2 | -31.5 | 0 | 0 | 0 | 109.6 | A223 | P221-A223 PolarHBondContact O-N 2.71Š|
| 222 | P | 36.8 | Very low | 44.7 | Very low | 128 Ų | 128 | 115 Ų | 115 | 83% | 0.831 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 132.4 | 171.9 | 24 | -29.7 | 0 | 0 | 0 | 109 | ||
| 223 | A | 34.4 | Very low | 42 | Very low | 94 Ų | 94 | 122.9 Ų | 122.9 | 78% | 0.777 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -55 | 139.4 | -180 | 0 | 0 | 0 | 0 | 0 | 111.7 | P221 | P221-A223 PolarHBondContact O-N 2.71Š|
| 224 | S | 40.3 | Very low | 39.6 | Very low | 112 Ų | 112 | 126.7 Ų | 126.7 | 78% | 0.783 | 75% | 0.75 | S | S | * | * | trans | -14.8 | 123.6 | 166.4 | 56.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 225 | E | 36.6 | Very low | 37.6 | Very low | 196 Ų | 196 | 129.5 Ų | 129.5 | 92% | 0.916 | 78% | 0.777 | S | S | * | * | trans | -142 | 120.7 | 140.6 | -74.5 | -155 | 161.6 | 0 | 0 | 111.4 | ||||
| 226 | G | 30.9 | Very low | 36.6 | Very low | 75 Ų | 75 | 129.3 Ų | 129.3 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | trans | 59.3 | 131.5 | 143.7 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 227 | P | 39.9 | Very low | 36.5 | Very low | 115 Ų | 115 | 126.6 Ų | 126.6 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | trans | -89.3 | 155.7 | 174.8 | 36.8 | -32.1 | 0 | 0 | 0 | 113.5 | ||||
| 228 | T | 31.6 | Very low | 37.8 | Very low | 140 Ų | 140 | 129.5 Ų | 129.5 | 86% | 0.859 | 79% | 0.789 | S | S | * | * | trans | 79 | 135.1 | 164.8 | 69.2 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 229 | D | 30.2 | Very low | 40.2 | Very low | 166 Ų | 166 | 125.2 Ų | 125.2 | 89% | 0.888 | 76% | 0.761 | S | S | * | * | cis | -165.4 | 160.2 | 9.9 | -163.8 | -0.6 | 0 | 0 | 0 | 107.7 | ||||
| 230 | G | 29 | Very low | 43.1 | Very low | 57 Ų | 57 | 124.1 Ų | 124.1 | 59% | 0.588 | 74% | 0.742 | S | S | * | * | trans | 111.9 | 92 | 161.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | R232 | G230-R232 PolarHBondContact O-N 2.98Š| ||
| 231 | S | 41.9 | Very low | 46.1 | Very low | 123 Ų | 123 | 121.8 Ų | 121.8 | 86% | 0.86 | 72% | 0.723 | S | S | * | * | trans | 13.5 | 101.5 | 148.9 | 62.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 232 | R | 33.8 | Very low | 48.8 | Very low | 237 Ų | 237 | 119.5 Ų | 119.5 | 89% | 0.894 | 70% | 0.704 | S | S | * | * | trans | -150.9 | 105.2 | 140.6 | -104.2 | 172.4 | 178.2 | 169.4 | -0.8 | 106.1 | G230 T234 | G230-R232 PolarHBondContact O-N 2.98Å; R232-T234 PolarHBondContact O-N 3.41Å | ||
| 233 | E | 32.8 | Very low | 51.3 | Low | 195 Ų | 195 | 115.7 Ų | 115.7 | 91% | 0.911 | 68% | 0.675 | S | S | * | * | trans | -52.8 | 110.8 | 162.5 | -71.1 | -180 | 165.1 | 0 | 0 | 106.3 | ||||
| 234 | T | 32.8 | Very low | 53.9 | Low | 123 Ų | 123 | 118.6 Ų | 118.6 | 76% | 0.755 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 130.3 | 164.7 | 36 | 0 | 0 | 0 | 0 | 106.4 | R232 A236 | R232-T234 PolarHBondContact O-N 3.41Å; T234-A236 PolarHBondContact O-N 2.76Å |
| 235 | P | 38.1 | Very low | 56 | Low | 123 Ų | 123 | 113.7 Ų | 113.7 | 80% | 0.799 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 116.3 | -178.7 | 24.3 | -29.9 | 0 | 0 | 0 | 106.8 | T237 | P235-T237 PolarHBondContact O-N 3.44Š|
| 236 | A | 43.3 | Very low | 57.7 | Low | 86 Ų | 86 | 107.6 Ų | 107.6 | 71% | 0.711 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -46.5 | 121.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | T234 R238 | T234-A236 PolarHBondContact O-N 2.76Å; A236-R238 PolarHBondContact O-N 3.35Å |
| 237 | T | 52.2 | Low | 59.5 | Low | 106 Ų | 106 | 106.9 Ų | 106.9 | 65% | 0.65 | 61% | 0.609 | S | S | * | * | trans | -46.8 | 112.7 | 174.2 | 14.1 | 0 | 0 | 0 | 0 | 107.6 | P235 D239 | P235-T237 PolarHBondContact O-N 3.44Å; T237-D239 PolarHBondContact O-N 3.37Å | ||
| 238 | R | 72.8 | Confident | 60.7 | Low | 217 Ų | 217 | 113 Ų | 113 | 82% | 0.819 | 62% | 0.618 | S | S | * | * | trans | -68.5 | 100.9 | 179 | -72.2 | -174.6 | 175.7 | -177 | -2.2 | 107.2 | A236 V240 | A236-R238 PolarHBondContact O-N 3.35Å; R238-V240 PolarHBondContact O-N 3.43Å; R238-V240 VanDerWaalsContact O-N 3.15Å | ||
| 239 | D | 88.9 | Confident | 62.6 | Low | 53 Ų | 53 | 109 Ų | 109 | 28% | 0.283 | 59% | 0.59 | S | S | . | * | S | Bend | trans | -66.4 | -8.2 | 177.7 | -76.3 | -34.2 | 0 | 0 | 0 | 113.6 | K175 W177 L211 T213 T237 | K175-D239 VanDerWaalsContact CE-OD2 3.29Å; K175-D239 WeakPolarHBondContact CE-OD2 3.3Å; K175-D239 IonicContact NZ-OD1 2.67Å; K175-D239 PolarHBondContact NZ-OD1 3.06Å; K175-D239 IonicContact NZ-OD2 3.2Å; K175-D239 PolarHBondContact NZ-OD2 3.27Å; W177-D239 PolarHBondContact NE1-O 3.17Å; L211-D239 PolarHBondContact N-O 3.17Å; T213-D239 VanDerWaalsContact CG2-OD1 3.28Å; T213-D239 WeakPolarHBondContact CG2-OD1 3.43Å; T213-D239 PolarHBondContact OG1-OD1 3.02Å; T237-D239 PolarHBondContact O-N 3.37Å |
| 240 | V | 93.2 | Very high | 64.3 | Low | 38 Ų | 38 | 109.4 Ų | 109.4 | 23% | 0.23 | 59% | 0.586 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -128.6 | 123.4 | -179.2 | -177.2 | 0 | 0 | 0 | 0 | 107.9 | W177 L179 A208 L210 R238 | W177-V240 HydrophobicContact CB-CG2 4.12Å; W177-V240 HydrophobicContact CG-CG2 4.38Å; L179-V240 HydrophobicContact CD2-CG1 4.12Å; A208-V240 HydrophobicContact CB-CG1 3.76Å; L210-V240 HydrophobicContact CD2-CB 4.38Å; L210-V240 HydrophobicContact CD2-CG1 4.02Å; L210-V240 HydrophobicContact CD2-CG2 3.86Å; R238-V240 PolarHBondContact O-N 3.43Å; R238-V240 VanDerWaalsContact O-N 3.15Å |
| 241 | V | 92.7 | Very high | 66.8 | Low | 56 Ų | 56 | 110.2 Ų | 110.2 | 34% | 0.339 | 58% | 0.577 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.8 | 106.7 | 176.5 | -170.8 | 0 | 0 | 0 | 0 | 108.5 | A208 I209 L211 H243 | A208-V241 CarbonylContact C-O 3.51Å; A208-V241 WeakPolarHBondContact CA-O 3.29Å; I209-V241 HydrophobicContact CB-CB 4.44Å; I209-V241 PolarHBondContact N-O 2.81Å; I209-V241 PolarHBondContact O-N 2.65Å; L211-V241 HydrophobicContact CD1-CG2 4.09Å; L211-V241 HydrophobicContact CD2-CG2 4.48Å; L211-V241 HydrophobicContact CG-CG2 4.27Å; V241-H243 WeakPolarHBondContact CG1-CE1 3.43Å; V241-H243 PolarHBondContact O-ND1 2.88Å |
| 242 | L | 91.9 | Very high | 68.7 | Low | 70 Ų | 70 | 111.9 Ų | 111.9 | 37% | 0.366 | 57% | 0.569 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.2 | 129.5 | -179.1 | -177.9 | 70.6 | 0 | 0 | 0 | 110.8 | Q202 A208 | Q202-L242 HydrophobicContact CB-CD1 4.29Å; Q202-L242 HydrophobicContact CG-CD1 3.88Å; A208-L242 HydrophobicContact CB-CD1 4.27Å |
| 243 | H | 90.8 | Very high | 71.4 | Confident | 47 Ų | 47 | 107.3 Ų | 107.3 | 22% | 0.218 | 56% | 0.562 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.6 | 128.9 | 176.5 | -62.9 | 95.3 | 0 | 0 | 0 | 110.5 | A206 Y207 I209 V241 D295 | A206-H243 WeakPolarHBondContact CB-O 3.44Å; Y207-H243 HydrophobicContact CD1-CB 4.29Å; Y207-H243 HydrophobicContact CD2-CB 4.01Å; Y207-H243 HydrophobicContact CE1-CB 3.79Å; Y207-H243 HydrophobicContact CE2-CB 3.5Å; Y207-H243 VanDerWaalsContact CE2-CB 3.5Å; Y207-H243 AromaticContact CE2-CG 3.68Å; Y207-H243 AromaticContact CE2-ND1 3.64Å; Y207-H243 HydrophobicContact CG-CB 4.38Å; Y207-H243 AromaticContact CZ-CG 3.9Å; Y207-H243 PolarHBondContact N-O 2.81Å; Y207-H243 VanDerWaalsContact N-O 3.16Å; Y207-H243 PolarHBondContact O-N 2.81Å; Y207-H243 VanDerWaalsContact O-O 3.06Å; I209-H243 VanDerWaalsContact CD1-CE1 3.42Å; I209-H243 WeakPolarHBondContact CD1-CE1 3.39Å; V241-H243 WeakPolarHBondContact CG1-CE1 3.43Å; V241-H243 PolarHBondContact O-ND1 2.88Å; H243-D295 IonicContact CD2-OD2 2.82Å |
| 244 | Q | 87.3 | Confident | 74.2 | Confident | 155 Ų | 155 | 98.7 Ų | 98.7 | 72% | 0.724 | 52% | 0.523 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 123.9 | 173 | -68.5 | -171.4 | -15.3 | 0 | 0 | 108.9 | ||
| 245 | T | 84.6 | Confident | 77.1 | Confident | 10 Ų | 10 | 94.4 Ų | 94.4 | 6% | 0.061 | 50% | 0.498 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 143.6 | 177.3 | 60.5 | 0 | 0 | 0 | 0 | 111.2 | C205 Y207 L278 K286 M288 | C205-T245 WeakPolarHBondContact O-CB 3.25Å; C205-T245 WeakPolarHBondContact O-CG2 3.41Å; C205-T245 PolarHBondContact O-OG1 2.77Å; Y207-T245 HydrophobicContact CD1-CG2 4.36Å; Y207-T245 HydrophobicContact CE1-CG2 3.97Å; T245-L278 HydrophobicContact CG2-CD1 3.43Å; T245-L278 VanDerWaalsContact CG2-CD1 3.43Å; T245-K286 PolarHBondContact OG1-NZ 3.42Å; T245-M288 HydrophobicContact CG2-CE 4.29Å; T245-M288 HydrophobicContact CG2-SD 4.32Å |
| 246 | S | 73.5 | Confident | 79.9 | Confident | 68 Ų | 68 | 88.5 Ų | 88.5 | 48% | 0.476 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -71.3 | 154.6 | 172.5 | 57 | 0 | 0 | 0 | 0 | 111.4 | K286 | S246-K286 PolarHBondContact O-NZ 2.82Š|
| 247 | G | 67.2 | Low | 82.4 | Confident | 60 Ų | 60 | 85.8 Ų | 85.8 | 62% | 0.619 | 43% | 0.432 | S | S | * | . | S | Bend | trans | 108.6 | 176.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | I249 | G247-I249 PolarHBondContact O-N 3.01Š|
| 248 | R | 65.1 | Low | 84.5 | Confident | 244 Ų | 244 | 81 Ų | 81 | 92% | 0.921 | 40% | 0.402 | S | S | * | . | trans | -68.6 | 119.2 | 179.5 | -73.5 | -174.1 | -178.7 | -167.6 | 0.9 | 109.6 | ||||
| 249 | I | 72.1 | Confident | 85.7 | Confident | 55 Ų | 55 | 71.9 Ų | 71.9 | 28% | 0.282 | 37% | 0.37 | S | S | . | . | trans | -105 | 118.6 | 169.2 | -62.8 | 159.8 | 0 | 0 | 0 | 106 | G204 G247 N251 | G204-I249 WeakPolarHBondContact O-CD1 3.47Å; G247-I249 PolarHBondContact O-N 3.01Å; I249-N251 WeakPolarHBondContact CG2-O 3.32Å | ||
| 250 | H | 66.6 | Low | 86 | Confident | 175 Ų | 175 | 69.4 Ų | 69.4 | 81% | 0.81 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -72.5 | -35.9 | -177.6 | -162.6 | -78.1 | 0 | 0 | 0 | 111.2 | ||
| 251 | N | 80.1 | Confident | 86 | Confident | 73 Ų | 73 | 70.8 Ų | 70.8 | 39% | 0.39 | 36% | 0.363 | S | S | . | . | trans | -143.4 | 122.6 | 178.3 | -176.5 | -3 | 0 | 0 | 0 | 111.6 | I249 N253 V254 | I249-N251 WeakPolarHBondContact CG2-O 3.32Å; N251-N253 PolarHBondContact O-N 3.19Å; N251-N253 PolarHBondContact OD1-N 2.6Å; N251-V254 HydrophobicContact CB-CB 4.2Å; N251-V254 WeakPolarHBondContact O-CG1 3.39Å; N251-V254 PolarHBondContact O-N 2.79Å | ||
| 252 | K | 83.5 | Confident | 86 | Confident | 159 Ų | 159 | 68.3 Ų | 68.3 | 69% | 0.691 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -14.7 | -179.5 | -65 | -172.9 | 177.7 | -173.1 | 0 | 114.1 | P203 G204 | P203-K252 CarbonylContact C-O 3.57Å; G204-K252 VanDerWaalsContact CA-O 3.29Å; G204-K252 WeakPolarHBondContact CA-O 3.21Å; G204-K252 PolarHBondContact N-O 2.95Å |
| 253 | N | 88.8 | Confident | 86 | Confident | 141 Ų | 141 | 70.6 Ų | 70.6 | 75% | 0.754 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.9 | 4.8 | -178.9 | -62.7 | -24 | 0 | 0 | 0 | 112.6 | N251 | N251-N253 PolarHBondContact O-N 3.19Å; N251-N253 PolarHBondContact OD1-N 2.6Å |
| 254 | V | 93.1 | Very high | 85.7 | Confident | 13 Ų | 13 | 71.2 Ų | 71.2 | 8% | 0.079 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -67.7 | 140.6 | 177.8 | 74 | 0 | 0 | 0 | 0 | 110 | P203 G204 N251 T280 L281 D282 | P203-V254 CarbonylContact C-O 3.55Å; P203-V254 WeakPolarHBondContact CA-O 3.49Å; G204-V254 PolarHBondContact N-O 3.14Å; N251-V254 HydrophobicContact CB-CB 4.2Å; N251-V254 WeakPolarHBondContact O-CG1 3.39Å; N251-V254 PolarHBondContact O-N 2.79Å; V254-T280 HydrophobicContact CG1-CG2 3.71Å; V254-L281 HydrophobicContact CG2-CB 3.79Å; V254-D282 HydrophobicContact CG2-CB 4.1Å |
| 255 | S | 93.9 | Very high | 85.1 | Confident | 33 Ų | 33 | 65 Ų | 65 | 23% | 0.231 | 34% | 0.335 | C | S | . | . | trans | -63.5 | 148.6 | 173.4 | 48.1 | 0 | 0 | 0 | 0 | 111 | D184 T280 L281 | D184-S255 WeakPolarHBondContact OD2-CA 3.46Å; D184-S255 WeakPolarHBondContact OD2-CB 3.32Å; S255-T280 WeakPolarHBondContact O-CA 3.36Å; S255-L281 PolarHBondContact O-N 3.49Å; S255-L281 VanDerWaalsContact O-N 3.1Å; S255-L281 WeakPolarHBondContact OG-CB 3.41Å | ||
| 256 | T | 95.6 | Very high | 83.6 | Confident | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 128.8 | -173.7 | -52.7 | 0 | 0 | 0 | 0 | 109.1 | D184 S201 Q202 C205 L278 C279 | D184-T256 VanDerWaalsContact CB-O 3.29Å; D184-T256 WeakPolarHBondContact CB-O 3.37Å; D184-T256 PolarHBondContact OD2-N 2.75Å; S201-T256 WeakPolarHBondContact CB-O 3.35Å; S201-T256 PolarHBondContact OG-O 2.91Å; Q202-T256 WeakPolarHBondContact O-CB 3.21Å; Q202-T256 PolarHBondContact O-OG1 2.77Å; C205-T256 WeakPolarHBondContact CA-OG1 3.21Å; C205-T256 PolarHBondContact N-OG1 3.25Å; T256-L278 HydrophobicContact CG2-CD2 3.48Å; T256-L278 VanDerWaalsContact CG2-CD2 3.48Å; T256-C279 CarbonylContact C-O 3.49Å; T256-C279 VanDerWaalsContact CA-O 3.27Å; T256-C279 WeakPolarHBondContact CA-O 3.4Å |
| 257 | H | 96.8 | Very high | 82.4 | Confident | 29 Ų | 29 | 74.6 Ų | 74.6 | 13% | 0.134 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 145 | 164.9 | -62.1 | 78.7 | 0 | 0 | 0 | 109.2 | L278 C279 F308 L310 | H257-L278 CarbonylContact O-C 3.33Å; H257-L278 WeakPolarHBondContact O-CA 3.45Å; H257-C279 PolarHBondContact N-O 3.4Å; H257-C279 PolarHBondContact O-N 2.83Å; H257-F308 PolarHBondContact CE1-O 3.18Å; H257-F308 PolarHBondContact ND1-O 3.49Å; H257-F308 PolarHBondContact NE2-O 2.7Å; H257-F308 VanDerWaalsContact NE2-O 3.14Å; H257-L310 HydrophobicContact CB-CB 3.98Å |
| 258 | L | 96.9 | Very high | 81.2 | Confident | 4 Ų | 4 | 76.2 Ų | 76.2 | 2% | 0.021 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 136.8 | 179.9 | 173.6 | 136.2 | 0 | 0 | 0 | 108.8 | S185 M199 Y207 F276 A277 L278 | S185-L258 WeakPolarHBondContact OG-CA 3.48Å; S185-L258 PolarHBondContact OG-N 2.8Å; S185-L258 PolarHBondContact OG-O 2.84Å; M199-L258 HydrophobicContact CB-CD1 4.38Å; M199-L258 HydrophobicContact CB-CD2 3.67Å; M199-L258 HydrophobicContact CE-CD1 4.03Å; M199-L258 HydrophobicContact SD-CD1 4.23Å; M199-L258 HydrophobicContact SD-CD2 4.19Å; Y207-L258 HydrophobicContact CD1-CD1 4.44Å; Y207-L258 HydrophobicContact CG-CD1 4.04Å; L258-F276 HydrophobicContact CD1-CD2 3.89Å; L258-F276 HydrophobicContact CD1-CE2 4.41Å; L258-A277 WeakPolarHBondContact CA-O 3.49Å; L258-L278 HydrophobicContact CB-CD2 3.74Å; L258-L278 HydrophobicContact CD1-CD2 3.64Å; L258-L278 HydrophobicContact CD1-CG 4.13Å; L258-L278 HydrophobicContact CG-CD2 4.15Å |
| 259 | I | 97.2 | Very high | 80.2 | Confident | 27 Ų | 27 | 73.7 Ų | 73.7 | 14% | 0.138 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 130.5 | 169.4 | -167.4 | 77.2 | 0 | 0 | 0 | 108.4 | I262 F276 A277 L310 K312 | I259-I262 HydrophobicContact CG2-CD1 4.34Å; I259-F276 CarbonylContact O-C 3.58Å; I259-F276 VanDerWaalsContact O-CA 3.27Å; I259-F276 WeakPolarHBondContact O-CA 3.44Å; I259-F276 WeakPolarHBondContact O-CB 3.18Å; I259-A277 HydrophobicContact CG2-CB 4Å; I259-A277 PolarHBondContact N-O 3.13Å; I259-A277 PolarHBondContact O-N 2.75Å; I259-L310 HydrophobicContact CB-CD2 4.35Å; I259-L310 HydrophobicContact CB-CG 4.36Å; I259-L310 HydrophobicContact CG2-CD2 3.76Å; I259-L310 HydrophobicContact CG2-CG 3.76Å; I259-K312 HydrophobicContact CG1-CB 4.4Å; I259-K312 HydrophobicContact CG1-CD 3.87Å; I259-K312 HydrophobicContact CG1-CG 4.19Å |
| 260 | G | 95.3 | Very high | 79 | Confident | 1 Ų | 1 | 76 Ų | 76 | 1% | 0.01 | 41% | 0.41 | C | S | . | . | trans | -111 | 179.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | S187 I262 L275 K312 | S187-G260 VanDerWaalsContact OG-CA 3.32Å; S187-G260 WeakPolarHBondContact OG-CA 3.39Å; S187-G260 PolarHBondContact OG-N 2.86Å; G260-I262 VanDerWaalsContact C-N 3.33Å; G260-I262 PolarHBondContact O-N 2.83Å; G260-L275 CarbonylContact C-O 3.58Å; G260-K312 WeakPolarHBondContact O-CE 3.46Å | ||
| 261 | N | 92.3 | Very high | 78.3 | Confident | 66 Ų | 66 | 71.4 Ų | 71.4 | 35% | 0.353 | 40% | 0.397 | S | S | . | . | trans | 53.6 | 45 | 177.1 | -164.3 | 21.7 | 0 | 0 | 0 | 113.5 | V188 K263 L275 K312 | V188-N261 WeakPolarHBondContact O-CB 3.17Å; N261-K263 PolarHBondContact O-N 2.9Å; N261-L275 PolarHBondContact N-O 2.88Å; N261-K312 PolarHBondContact O-NZ 3.25Å | ||
| 262 | I | 94.4 | Very high | 77.1 | Confident | 5 Ų | 5 | 69.9 Ų | 69.9 | 3% | 0.026 | 40% | 0.399 | C | S | . | . | trans | -73.4 | 121.1 | 177.2 | -58.8 | 165.9 | 0 | 0 | 0 | 108.9 | I259 G260 L275 A277 L287 K312 E321 V323 | I259-I262 HydrophobicContact CG2-CD1 4.34Å; G260-I262 VanDerWaalsContact C-N 3.33Å; G260-I262 PolarHBondContact O-N 2.83Å; I262-L275 HydrophobicContact CB-CB 3.91Å; I262-L275 PolarHBondContact N-O 3.04Å; I262-A277 HydrophobicContact CD1-CB 3.65Å; I262-L287 HydrophobicContact CD1-CD1 3.61Å; I262-K312 HydrophobicContact CG1-CB 4.36Å; I262-K312 HydrophobicContact CG1-CD 4.03Å; I262-E321 HydrophobicContact CG2-CB 3.95Å; I262-E321 VanDerWaalsContact CG2-O 3.24Å; I262-E321 WeakPolarHBondContact CG2-O 3.42Å; I262-V323 HydrophobicContact CD1-CG2 3.84Å | ||
| 263 | K | 91.1 | Very high | 76.5 | Confident | 117 Ų | 117 | 63.2 Ų | 63.2 | 51% | 0.509 | 37% | 0.373 | S | S | . | . | trans | -72.3 | 142.9 | -175.2 | -66.1 | 177.4 | -174.1 | 162.9 | 0 | 112.6 | N261 H320 E321 H337 | N261-K263 PolarHBondContact O-N 2.9Å; K263-H320 WeakPolarHBondContact O-CA 3.49Å; K263-E321 HydrophobicContact CB-CB 4.44Å; K263-E321 HydrophobicContact CB-CG 3.97Å; K263-E321 HydrophobicContact CD-CG 4.39Å; K263-E321 WeakPolarHBondContact CD-OE1 3.2Å; K263-E321 HydrophobicContact CG-CG 4.38Å; K263-E321 PolarHBondContact N-OE2 3.03Å; K263-E321 IonicContact NZ-OE1 2.71Å; K263-E321 PolarHBondContact O-N 3.18Å; K263-H337 PolarHBondContact O-NE2 3.22Å | ||
| 264 | Q | 84.1 | Confident | 76.3 | Confident | 60 Ų | 60 | 56.8 Ų | 56.8 | 28% | 0.28 | 34% | 0.339 | S | S | . | . | B | Isolated β-bridge | trans | -107 | 22.4 | 177.5 | -59.6 | -175.7 | 26.1 | 0 | 0 | 113.4 | L275 H320 | Q264-L275 HydrophobicContact CG-CD1 3.43Å; Q264-L275 VanDerWaalsContact CG-CD1 3.43Å; Q264-L275 HydrophobicContact CG-CG 4.18Å; Q264-L275 VanDerWaalsContact NE2-CD1 3.3Å; Q264-H320 PolarHBondContact O-CE1 3.36Å; Q264-H320 PolarHBondContact O-NE2 2.97Å; Q264-H320 VanDerWaalsContact O-NE2 3.11Å |
| 265 | G | 74.5 | Confident | 76.3 | Confident | 24 Ų | 24 | 56.3 Ų | 56.3 | 25% | 0.247 | 34% | 0.336 | C | S | . | . | trans | 76.4 | 172.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | G319 | G265-G319 VanDerWaalsContact CA-C 3.48Å; G265-G319 WeakPolarHBondContact CA-O 3.34Å; G265-G319 PolarHBondContact N-O 2.93Å | ||
| 266 | H | 53 | Low | 76.4 | Confident | 202 Ų | 202 | 54.7 Ų | 54.7 | 94% | 0.935 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -94.6 | 99.9 | 173.7 | -90.8 | -76.8 | 0 | 0 | 0 | 109 | ||
| 267 | G | 48.5 | Very low | 76.5 | Confident | 78 Ų | 78 | 54.7 Ų | 54.7 | 80% | 0.804 | 33% | 0.325 | S | S | * | . | S | Bend | trans | 166.7 | -16.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||
| 268 | T | 42.5 | Very low | 76.5 | Confident | 95 Ų | 95 | 53.3 Ų | 53.3 | 58% | 0.583 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -105.5 | 132.4 | 172.5 | 40.3 | 0 | 0 | 0 | 0 | 108.9 | S270 | T268-S270 PolarHBondContact O-N 3.24Š|
| 269 | E | 43.7 | Very low | 76.4 | Confident | 190 Ų | 190 | 53.1 Ų | 53.1 | 89% | 0.888 | 32% | 0.318 | S | S | * | . | trans | -39.8 | 110.9 | 164.7 | -64.8 | -177.6 | 159.8 | 0 | 0 | 107 | S271 | E269-S271 VanDerWaalsContact C-N 3.34Å; E269-S271 PolarHBondContact O-N 3.35Å | ||
| 270 | S | 48.3 | Very low | 76.4 | Confident | 105 Ų | 105 | 51.9 Ų | 51.9 | 73% | 0.734 | 31% | 0.312 | S | S | * | . | trans | -59.9 | 105.1 | -174.9 | 61.2 | 0 | 0 | 0 | 0 | 106.2 | T268 G272 | T268-S270 PolarHBondContact O-N 3.24Å; S270-G272 PolarHBondContact O-N 3.44Å | ||
| 271 | S | 51.3 | Low | 76.4 | Confident | 77 Ų | 77 | 53.8 Ų | 53.8 | 54% | 0.538 | 32% | 0.321 | S | S | . | . | trans | -51.6 | 117.4 | 153.9 | -68.7 | 0 | 0 | 0 | 0 | 103.3 | E269 S273 | E269-S271 VanDerWaalsContact C-N 3.34Å; E269-S271 PolarHBondContact O-N 3.35Å; S271-S273 PolarHBondContact O-N 3.39Å; S271-S273 PolarHBondContact O-OG 3.43Å | ||
| 272 | G | 55.3 | Low | 76.4 | Confident | 41 Ų | 41 | 52.8 Ų | 52.8 | 42% | 0.423 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -66 | 23.7 | -168.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | G191 S270 | G191-G272 VanDerWaalsContact O-O 3.11Å; S270-G272 PolarHBondContact O-N 3.44Å |
| 273 | S | 69.4 | Low | 76.3 | Confident | 20 Ų | 20 | 52.6 Ų | 52.6 | 14% | 0.14 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -100.6 | 122.2 | -177.6 | 42.8 | 0 | 0 | 0 | 0 | 110.8 | S271 E289 E290 | S271-S273 PolarHBondContact O-N 3.39Å; S271-S273 PolarHBondContact O-OG 3.43Å; S273-E289 PolarHBondContact OG-OE1 3.2Å; S273-E290 WeakPolarHBondContact CB-O 3.24Å |
| 274 | G | 86 | Confident | 76.5 | Confident | 5 Ų | 5 | 47.3 Ų | 47.3 | 5% | 0.052 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 139.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L190 E290 | L190-G274 WeakPolarHBondContact O-CA 3.26Å; L190-G274 PolarHBondContact O-N 3.03Å; G274-E290 VanDerWaalsContact O-CB 3.27Å; G274-E290 WeakPolarHBondContact O-CB 3.4Å; G274-E290 PolarHBondContact O-N 2.83Å |
| 275 | L | 92.6 | Very high | 77.1 | Confident | 3 Ų | 3 | 44.5 Ų | 44.5 | 2% | 0.016 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 141.4 | 165.8 | -68.3 | 180 | 0 | 0 | 0 | 110 | G260 N261 I262 Q264 M288 E289 L298 H337 | G260-L275 CarbonylContact C-O 3.58Å; N261-L275 PolarHBondContact N-O 2.88Å; I262-L275 HydrophobicContact CB-CB 3.91Å; I262-L275 PolarHBondContact N-O 3.04Å; Q264-L275 HydrophobicContact CG-CD1 3.43Å; Q264-L275 VanDerWaalsContact CG-CD1 3.43Å; Q264-L275 HydrophobicContact CG-CG 4.18Å; Q264-L275 VanDerWaalsContact NE2-CD1 3.3Å; L275-M288 WeakPolarHBondContact CA-O 3.4Å; L275-M288 WeakPolarHBondContact CD2-O 3.27Å; L275-E289 HydrophobicContact CD2-CB 3.69Å; L275-E289 HydrophobicContact CD2-CG 4.01Å; L275-L298 HydrophobicContact CD2-CD1 3.58Å; L275-H337 VanDerWaalsContact CD1-CE1 3.4Å; L275-H337 WeakPolarHBondContact CD1-CE1 3.36Å; L275-H337 WeakPolarHBondContact CD1-ND1 3.46Å |
| 276 | F | 95.7 | Very high | 78.1 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 151.4 | 173.1 | 66.2 | -84.8 | 0 | 0 | 0 | 110.6 | M199 Y207 L258 I259 L278 M288 E290 D295 | M199-F276 HydrophobicContact CE-CB 4.47Å; M199-F276 HydrophobicContact CE-CD1 3.86Å; M199-F276 HydrophobicContact CE-CD2 3.8Å; M199-F276 HydrophobicContact CE-CE1 3.94Å; M199-F276 HydrophobicContact CE-CE2 3.86Å; M199-F276 HydrophobicContact CE-CG 3.79Å; M199-F276 HydrophobicContact CE-CZ 3.94Å; M199-F276 HydrophobicContact SD-CB 4.19Å; M199-F276 HydrophobicContact SD-CD1 4.41Å; M199-F276 HydrophobicContact SD-CG 4.14Å; Y207-F276 HydrophobicContact CD1-CE2 4.07Å; Y207-F276 AromaticContact CE1-CE2 3.6Å; Y207-F276 HydrophobicContact CE1-CE2 3.6Å; Y207-F276 AromaticContact CE1-CZ 3.78Å; Y207-F276 HydrophobicContact CE1-CZ 3.78Å; Y207-F276 HydrophobicContact CE2-CE2 4.37Å; Y207-F276 HydrophobicContact CE2-CZ 4.18Å; Y207-F276 AromaticContact CZ-CE2 3.77Å; Y207-F276 AromaticContact CZ-CZ 3.51Å; Y207-F276 WeakPolarHBondContact OH-CZ 3.34Å; L258-F276 HydrophobicContact CD1-CD2 3.89Å; L258-F276 HydrophobicContact CD1-CE2 4.41Å; I259-F276 CarbonylContact O-C 3.58Å; I259-F276 VanDerWaalsContact O-CA 3.27Å; I259-F276 WeakPolarHBondContact O-CA 3.44Å; I259-F276 WeakPolarHBondContact O-CB 3.18Å; F276-L278 HydrophobicContact CD2-CD1 4.41Å; F276-L278 HydrophobicContact CD2-CG 4.44Å; F276-L278 HydrophobicContact CE2-CD1 3.97Å; F276-L278 HydrophobicContact CE2-CG 4.48Å; F276-M288 HydrophobicContact CD1-CB 4.04Å; F276-M288 HydrophobicContact CD2-CB 3.98Å; F276-M288 HydrophobicContact CD2-CG 4.3Å; F276-M288 HydrophobicContact CE1-CB 3.54Å; F276-M288 HydrophobicContact CE2-CB 3.49Å; F276-M288 VanDerWaalsContact CE2-CB 3.49Å; F276-M288 HydrophobicContact CE2-CG 3.64Å; F276-M288 HydrophobicContact CG-CB 4.24Å; F276-M288 HydrophobicContact CZ-CB 3.24Å; F276-M288 HydrophobicContact CZ-CG 3.77Å; F276-M288 PolarHBondContact N-O 3.46Å; F276-M288 VanDerWaalsContact N-O 3.09Å; F276-M288 PolarHBondContact O-N 2.98Å; F276-E290 HydrophobicContact CE1-CB 4.32Å; F276-D295 HydrophobicContact CZ-CB 4.34Å |
| 277 | A | 97.1 | Very high | 80.1 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 151 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111 | L258 I259 I262 K286 L287 L310 V323 | L258-A277 WeakPolarHBondContact CA-O 3.49Å; I259-A277 HydrophobicContact CG2-CB 4Å; I259-A277 PolarHBondContact N-O 3.13Å; I259-A277 PolarHBondContact O-N 2.75Å; I262-A277 HydrophobicContact CD1-CB 3.65Å; A277-K286 CarbonylContact C-O 3.54Å; A277-K286 WeakPolarHBondContact CA-O 3.44Å; A277-L287 HydrophobicContact CB-CD1 4.12Å; A277-L310 HydrophobicContact CB-CD2 4.21Å; A277-L310 WeakPolarHBondContact O-CD2 3.21Å; A277-V323 HydrophobicContact CB-CB 4.46Å; A277-V323 HydrophobicContact CB-CG1 3.85Å; A277-V323 HydrophobicContact CB-CG2 3.68Å |
| 278 | L | 96.7 | Very high | 82.2 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 138.9 | 177.9 | -74.2 | 156.6 | 0 | 0 | 0 | 109.1 | Y207 T245 T256 H257 L258 F276 L285 K286 M288 | Y207-L278 HydrophobicContact CD1-CD1 3.9Å; Y207-L278 HydrophobicContact CE1-CD1 4.21Å; T245-L278 HydrophobicContact CG2-CD1 3.43Å; T245-L278 VanDerWaalsContact CG2-CD1 3.43Å; T256-L278 HydrophobicContact CG2-CD2 3.48Å; T256-L278 VanDerWaalsContact CG2-CD2 3.48Å; H257-L278 CarbonylContact O-C 3.33Å; H257-L278 WeakPolarHBondContact O-CA 3.45Å; L258-L278 HydrophobicContact CB-CD2 3.74Å; L258-L278 HydrophobicContact CD1-CD2 3.64Å; L258-L278 HydrophobicContact CD1-CG 4.13Å; L258-L278 HydrophobicContact CG-CD2 4.15Å; F276-L278 HydrophobicContact CD2-CD1 4.41Å; F276-L278 HydrophobicContact CD2-CG 4.44Å; F276-L278 HydrophobicContact CE2-CD1 3.97Å; F276-L278 HydrophobicContact CE2-CG 4.48Å; L278-L285 CarbonylContact O-C 3.5Å; L278-L285 WeakPolarHBondContact O-CA 3.36Å; L278-K286 PolarHBondContact N-O 2.93Å; L278-K286 PolarHBondContact O-N 2.94Å; L278-M288 HydrophobicContact CD1-CG 4.43Å |
| 279 | C | 96.2 | Very high | 84.5 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 145.7 | 167.4 | 89.6 | 0 | 0 | 0 | 0 | 111.2 | T256 H257 T284 L285 L307 L310 | T256-C279 CarbonylContact C-O 3.49Å; T256-C279 VanDerWaalsContact CA-O 3.27Å; T256-C279 WeakPolarHBondContact CA-O 3.4Å; H257-C279 PolarHBondContact N-O 3.4Å; H257-C279 PolarHBondContact O-N 2.83Å; C279-T284 CarbonylContact C-O 3.39Å; C279-T284 WeakPolarHBondContact CA-O 3.43Å; C279-L285 HydrophobicContact CB-CD2 3.31Å; C279-L285 HydrophobicContact CB-CG 4.2Å; C279-L307 HydrophobicContact CB-CB 4.47Å; C279-L307 HydrophobicContact CB-CD1 4.21Å; C279-L310 HydrophobicContact CB-CB 4.49Å; C279-L310 HydrophobicContact CB-CD1 3.97Å; C279-L310 HydrophobicContact CB-CD2 4.08Å; C279-L310 HydrophobicContact CB-CG 4.42Å |
| 280 | T | 95.9 | Very high | 86.4 | Confident | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.006 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 155.4 | 174.8 | 56 | 0 | 0 | 0 | 0 | 111.3 | C205 V254 S255 D282 G283 T284 | C205-T280 HydrophobicContact CB-CG2 3.55Å; V254-T280 HydrophobicContact CG1-CG2 3.71Å; S255-T280 WeakPolarHBondContact O-CA 3.36Å; T280-D282 WeakPolarHBondContact CB-OD1 3.49Å; T280-D282 PolarHBondContact O-N 2.8Å; T280-D282 PolarHBondContact OG1-OD1 2.82Å; T280-G283 PolarHBondContact O-N 2.94Å; T280-T284 PolarHBondContact N-O 3.24Å; T280-T284 WeakPolarHBondContact OG1-CA 3.3Å; T280-T284 WeakPolarHBondContact OG1-CB 3.46Å; T280-T284 PolarHBondContact OG1-N 3.04Å; T280-T284 PolarHBondContact OG1-O 2.88Å |
| 281 | L | 94.9 | Very high | 88.1 | Confident | 41 Ų | 41 | 16.5 Ų | 16.5 | 22% | 0.215 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -21 | 177.3 | -176 | 66.9 | 0 | 0 | 0 | 113.8 | V254 S255 G283 Q306 L307 F308 W328 | V254-L281 HydrophobicContact CG2-CB 3.79Å; S255-L281 PolarHBondContact O-N 3.49Å; S255-L281 VanDerWaalsContact O-N 3.1Å; S255-L281 WeakPolarHBondContact OG-CB 3.41Å; L281-G283 VanDerWaalsContact C-N 3.28Å; L281-Q306 HydrophobicContact CD1-CB 3.97Å; L281-Q306 WeakPolarHBondContact O-CA 3.22Å; L281-Q306 WeakPolarHBondContact O-CB 3.49Å; L281-L307 VanDerWaalsContact CA-O 3.29Å; L281-L307 WeakPolarHBondContact CA-O 3.4Å; L281-F308 HydrophobicContact CD1-CB 4.46Å; L281-W328 HydrophobicContact CD1-CH2 3.74Å; L281-W328 HydrophobicContact CD1-CZ2 3.61Å; L281-W328 HydrophobicContact CD1-CZ3 4.32Å; L281-W328 HydrophobicContact CD2-CH2 4.04Å; L281-W328 HydrophobicContact CD2-CZ2 4.44Å; L281-W328 HydrophobicContact CG-CH2 4.44Å |
| 282 | D | 92.8 | Very high | 89.2 | Confident | 45 Ų | 45 | 20.2 Ų | 20.2 | 24% | 0.241 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 9.5 | 173.6 | 63.6 | -3.6 | 0 | 0 | 0 | 113.4 | V254 T280 Q302 | V254-D282 HydrophobicContact CG2-CB 4.1Å; T280-D282 WeakPolarHBondContact CB-OD1 3.49Å; T280-D282 PolarHBondContact O-N 2.8Å; T280-D282 PolarHBondContact OG1-OD1 2.82Å; D282-Q302 PolarHBondContact O-NE2 3.19Å |
| 283 | G | 93.7 | Very high | 90 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | S | Bend | trans | 91.1 | 14.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | T280 L281 Q302 V303 H305 | T280-G283 PolarHBondContact O-N 2.94Å; L281-G283 VanDerWaalsContact C-N 3.28Å; G283-Q302 VanDerWaalsContact C-NE2 3.34Å; G283-Q302 WeakPolarHBondContact O-CA 3.47Å; G283-Q302 PolarHBondContact O-NE2 2.77Å; G283-V303 WeakPolarHBondContact O-CG2 3.37Å; G283-V303 PolarHBondContact O-N 2.95Å; G283-H305 WeakPolarHBondContact CA-O 3.29Å |
| 284 | T | 94.7 | Very high | 90.5 | Very high | 6 Ų | 6 | 29.9 Ų | 29.9 | 4% | 0.037 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 130.3 | 169.2 | -53.6 | 0 | 0 | 0 | 0 | 109.7 | C279 T280 K286 Q302 | C279-T284 CarbonylContact C-O 3.39Å; C279-T284 WeakPolarHBondContact CA-O 3.43Å; T280-T284 PolarHBondContact N-O 3.24Å; T280-T284 WeakPolarHBondContact OG1-CA 3.3Å; T280-T284 WeakPolarHBondContact OG1-CB 3.46Å; T280-T284 PolarHBondContact OG1-N 3.04Å; T280-T284 PolarHBondContact OG1-O 2.88Å; T284-K286 HydrophobicContact CG2-CG 4.15Å; T284-Q302 PolarHBondContact OG1-OE1 3.35Å |
| 285 | L | 95.5 | Very high | 90.4 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 136.3 | 170.4 | -75.8 | 158.8 | 0 | 0 | 0 | 109.3 | L278 C279 W299 S300 V301 L307 L310 A325 I335 | L278-L285 CarbonylContact O-C 3.5Å; L278-L285 WeakPolarHBondContact O-CA 3.36Å; C279-L285 HydrophobicContact CB-CD2 3.31Å; C279-L285 HydrophobicContact CB-CG 4.2Å; L285-W299 HydrophobicContact CB-CH2 4.42Å; L285-W299 HydrophobicContact CB-CZ3 3.92Å; L285-S300 CarbonylContact O-C 3.46Å; L285-S300 VanDerWaalsContact O-CA 3.29Å; L285-S300 WeakPolarHBondContact O-CA 3.1Å; L285-S300 PolarHBondContact O-OG 3.18Å; L285-V301 HydrophobicContact CB-CB 4.38Å; L285-V301 PolarHBondContact N-O 3.16Å; L285-V301 PolarHBondContact O-N 3.34Å; L285-L307 HydrophobicContact CD1-CD1 3.58Å; L285-L307 HydrophobicContact CD2-CD1 3.9Å; L285-L307 HydrophobicContact CG-CD1 3.49Å; L285-L307 VanDerWaalsContact CG-CD1 3.49Å; L285-L310 HydrophobicContact CD2-CD1 3.91Å; L285-A325 HydrophobicContact CD1-CB 4Å; L285-A325 HydrophobicContact CD2-CB 3.64Å; L285-A325 HydrophobicContact CG-CB 4.41Å; L285-I335 HydrophobicContact CB-CD1 4.5Å; L285-I335 HydrophobicContact CD1-CD1 3.66Å |
| 286 | K | 95.6 | Very high | 90.3 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.009 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 140 | 175.3 | -60 | -173.3 | -173.6 | 179.3 | 0 | 110.2 | T245 S246 A277 L278 T284 L297 W299 | T245-K286 PolarHBondContact OG1-NZ 3.42Å; S246-K286 PolarHBondContact O-NZ 2.82Å; A277-K286 CarbonylContact C-O 3.54Å; A277-K286 WeakPolarHBondContact CA-O 3.44Å; L278-K286 PolarHBondContact N-O 2.93Å; L278-K286 PolarHBondContact O-N 2.94Å; T284-K286 HydrophobicContact CG2-CG 4.15Å; K286-L297 HydrophobicContact CB-CD1 3.99Å; K286-L297 HydrophobicContact CD-CD1 4.05Å; K286-L297 HydrophobicContact CG-CD1 4.15Å; K286-W299 WeakPolarHBondContact CA-O 3.39Å |
| 287 | L | 95.5 | Very high | 90.1 | Very high | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 130.7 | 164.2 | -176 | 71.6 | 0 | 0 | 0 | 108.4 | I262 A277 L298 W299 V323 | I262-L287 HydrophobicContact CD1-CD1 3.61Å; A277-L287 HydrophobicContact CB-CD1 4.12Å; L287-L298 HydrophobicContact CD2-CB 4.43Å; L287-L298 HydrophobicContact CD2-CD1 3.87Å; L287-L298 HydrophobicContact CG-CB 4.47Å; L287-L298 HydrophobicContact CG-CD1 4.1Å; L287-L298 PolarHBondContact O-N 2.88Å; L287-W299 HydrophobicContact CB-CD2 3.74Å; L287-W299 HydrophobicContact CB-CE3 4.36Å; L287-W299 HydrophobicContact CB-CG 4.18Å; L287-W299 HydrophobicContact CB-CH2 4.12Å; L287-W299 HydrophobicContact CB-CZ2 3.5Å; L287-W299 HydrophobicContact CD2-CZ2 4.25Å; L287-W299 VanDerWaalsContact CD2-NE1 3.26Å; L287-W299 HydrophobicContact CG-CZ2 4.39Å; L287-W299 PolarHBondContact N-O 3.07Å; L287-W299 VanDerWaalsContact N-O 3.07Å; L287-W299 PolarHBondContact O-N 2.85Å; L287-V323 HydrophobicContact CD1-CG2 4.1Å |
| 288 | M | 93.4 | Very high | 89.9 | Confident | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 149.8 | -175.3 | -57.3 | -71.4 | -62.3 | 0 | 0 | 109.3 | T245 L275 F276 L278 D295 K296 L297 | T245-M288 HydrophobicContact CG2-CE 4.29Å; T245-M288 HydrophobicContact CG2-SD 4.32Å; L275-M288 WeakPolarHBondContact CA-O 3.4Å; L275-M288 WeakPolarHBondContact CD2-O 3.27Å; F276-M288 HydrophobicContact CD1-CB 4.04Å; F276-M288 HydrophobicContact CD2-CB 3.98Å; F276-M288 HydrophobicContact CD2-CG 4.3Å; F276-M288 HydrophobicContact CE1-CB 3.54Å; F276-M288 HydrophobicContact CE2-CB 3.49Å; F276-M288 VanDerWaalsContact CE2-CB 3.49Å; F276-M288 HydrophobicContact CE2-CG 3.64Å; F276-M288 HydrophobicContact CG-CB 4.24Å; F276-M288 HydrophobicContact CZ-CB 3.24Å; F276-M288 HydrophobicContact CZ-CG 3.77Å; F276-M288 PolarHBondContact N-O 3.46Å; F276-M288 VanDerWaalsContact N-O 3.09Å; F276-M288 PolarHBondContact O-N 2.98Å; L278-M288 HydrophobicContact CD1-CG 4.43Å; M288-D295 HydrophobicContact CE-CB 3.81Å; M288-K296 CarbonylContact C-O 3.49Å; M288-K296 WeakPolarHBondContact CA-O 3.21Å; M288-L297 HydrophobicContact CE-CB 4.43Å; M288-L297 HydrophobicContact SD-CB 3.9Å; M288-L297 HydrophobicContact SD-CD1 3.5Å; M288-L297 WeakPolarHBondContact SD-CD1 3.29Å; M288-L297 HydrophobicContact SD-CG 4.32Å |
| 289 | E | 90.4 | Very high | 89.8 | Confident | 23 Ų | 23 | 42.1 Ų | 42.1 | 11% | 0.107 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 126.4 | 171.5 | 179.7 | 176 | -151.7 | 0 | 0 | 108.6 | S273 L275 M291 K296 L298 | S273-E289 PolarHBondContact OG-OE1 3.2Å; L275-E289 HydrophobicContact CD2-CB 3.69Å; L275-E289 HydrophobicContact CD2-CG 4.01Å; E289-M291 HydrophobicContact CG-CE 4.09Å; E289-M291 VanDerWaalsContact OE2-CE 3.28Å; E289-M291 WeakPolarHBondContact OE2-CE 3.28Å; E289-K296 HydrophobicContact CB-CB 4.43Å; E289-K296 PolarHBondContact N-O 2.77Å; E289-K296 PolarHBondContact O-N 3.3Å; E289-K296 IonicContact OE2-NZ 3.68Å; E289-K296 PolarHBondContact OE2-NZ 3.43Å; E289-L298 HydrophobicContact CB-CD1 4.15Å; E289-L298 HydrophobicContact CB-CD2 4.08Å; E289-L298 HydrophobicContact CB-CG 4.06Å |
| 290 | E | 84.3 | Confident | 89.8 | Confident | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.019 | 23% | 0.228 | C | C | . | . | trans | -72.1 | 132.1 | -180 | -170.3 | 161.3 | -156.9 | 0 | 0 | 110.9 | T189 P192 S273 G274 F276 D295 | T189-E290 WeakPolarHBondContact CG2-OE2 3.46Å; T189-E290 PolarHBondContact OG1-OE2 3.24Å; P192-E290 HydrophobicContact CG-CG 4.35Å; S273-E290 WeakPolarHBondContact CB-O 3.24Å; G274-E290 VanDerWaalsContact O-CB 3.27Å; G274-E290 WeakPolarHBondContact O-CB 3.4Å; G274-E290 PolarHBondContact O-N 2.83Å; F276-E290 HydrophobicContact CE1-CB 4.32Å; E290-D295 WeakPolarHBondContact CA-OD1 3.39Å | ||
| 291 | M | 82.4 | Confident | 89.7 | Confident | 74 Ų | 74 | 44.6 Ų | 44.6 | 37% | 0.365 | 23% | 0.232 | S | C | . | . | trans | -140.2 | 153.8 | -179.5 | -64.3 | -167.3 | 166.9 | 0 | 0 | 110.9 | E289 E293 A294 K296 | E289-M291 HydrophobicContact CG-CE 4.09Å; E289-M291 VanDerWaalsContact OE2-CE 3.28Å; E289-M291 WeakPolarHBondContact OE2-CE 3.28Å; M291-E293 VanDerWaalsContact C-N 3.31Å; M291-E293 PolarHBondContact O-N 3.45Å; M291-A294 WeakPolarHBondContact CB-O 3.47Å; M291-K296 HydrophobicContact CE-CB 3.96Å; M291-K296 HydrophobicContact CE-CD 3.37Å; M291-K296 HydrophobicContact CE-CG 4.36Å; M291-K296 HydrophobicContact CG-CB 4.41Å; M291-K296 HydrophobicContact SD-CB 3.83Å; M291-K296 HydrophobicContact SD-CD 4.05Å | ||
| 292 | E | 74.3 | Confident | 89.6 | Confident | 154 Ų | 154 | 47.7 Ų | 47.7 | 72% | 0.72 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -57 | -39.3 | -177.1 | -69.4 | -173.5 | 167 | 0 | 0 | 114.1 | P192 | P192-E292 HydrophobicContact CB-CB 4.45Å; P192-E292 HydrophobicContact CB-CG 3.43Å; P192-E292 VanDerWaalsContact CB-CG 3.43Å; P192-E292 HydrophobicContact CG-CG 4.01Å |
| 293 | E | 73 | Confident | 89.7 | Confident | 196 Ų | 196 | 45.8 Ų | 45.8 | 92% | 0.916 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -92.5 | -46.7 | -175.7 | -65.2 | -171.4 | 170 | 0 | 0 | 113.1 | M291 | M291-E293 VanDerWaalsContact C-N 3.31Å; M291-E293 PolarHBondContact O-N 3.45Å |
| 294 | A | 79.7 | Confident | 89.6 | Confident | 68 Ų | 68 | 53.4 Ų | 53.4 | 56% | 0.562 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -163.4 | 133.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | M291 K296 | M291-A294 WeakPolarHBondContact CB-O 3.47Å; A294-K296 PolarHBondContact O-N 2.84Å |
| 295 | D | 84.3 | Confident | 89.6 | Confident | 29 Ų | 29 | 55.1 Ų | 55.1 | 16% | 0.155 | 28% | 0.283 | C | S | . | . | trans | -59.2 | 131.5 | 179.1 | -56.2 | -62.3 | 0 | 0 | 0 | 112.3 | Y207 H243 F276 M288 E290 | Y207-D295 WeakPolarHBondContact OH-CB 3.44Å; Y207-D295 PolarHBondContact OH-OD2 2.81Å; H243-D295 IonicContact CD2-OD2 2.82Å; F276-D295 HydrophobicContact CZ-CB 4.34Å; M288-D295 HydrophobicContact CE-CB 3.81Å; E290-D295 WeakPolarHBondContact CA-OD1 3.39Å | ||
| 296 | K | 89.7 | Confident | 89.6 | Confident | 100 Ų | 100 | 60.2 Ų | 60.2 | 44% | 0.435 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 123.5 | -174.4 | 178.4 | -175.7 | 164.2 | -154 | 0 | 110.2 | M288 E289 M291 A294 L298 | M288-K296 CarbonylContact C-O 3.49Å; M288-K296 WeakPolarHBondContact CA-O 3.21Å; E289-K296 HydrophobicContact CB-CB 4.43Å; E289-K296 PolarHBondContact N-O 2.77Å; E289-K296 PolarHBondContact O-N 3.3Å; E289-K296 IonicContact OE2-NZ 3.68Å; E289-K296 PolarHBondContact OE2-NZ 3.43Å; M291-K296 HydrophobicContact CE-CB 3.96Å; M291-K296 HydrophobicContact CE-CD 3.37Å; M291-K296 HydrophobicContact CE-CG 4.36Å; M291-K296 HydrophobicContact CG-CB 4.41Å; M291-K296 HydrophobicContact SD-CB 3.83Å; M291-K296 HydrophobicContact SD-CD 4.05Å; A294-K296 PolarHBondContact O-N 2.84Å; K296-L298 HydrophobicContact CD-CD2 4.32Å; K296-L298 HydrophobicContact CG-CD2 4.46Å; K296-L298 PolarHBondContact O-N 3.12Å |
| 297 | L | 92.6 | Very high | 89.6 | Confident | 58 Ų | 58 | 60.1 Ų | 60.1 | 30% | 0.304 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 115.6 | 170.4 | 178.6 | 67 | 0 | 0 | 0 | 110 | K286 M288 W299 | K286-L297 HydrophobicContact CB-CD1 3.99Å; K286-L297 HydrophobicContact CD-CD1 4.05Å; K286-L297 HydrophobicContact CG-CD1 4.15Å; M288-L297 HydrophobicContact CE-CB 4.43Å; M288-L297 HydrophobicContact SD-CB 3.9Å; M288-L297 HydrophobicContact SD-CD1 3.5Å; M288-L297 WeakPolarHBondContact SD-CD1 3.29Å; M288-L297 HydrophobicContact SD-CG 4.32Å; L297-W299 VanDerWaalsContact CD1-O 3.28Å; L297-W299 WeakPolarHBondContact CD1-O 3.28Å |
| 298 | L | 92.9 | Very high | 89.6 | Confident | 64 Ų | 64 | 60.7 Ų | 60.7 | 34% | 0.335 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | -50.3 | 174.8 | -63.2 | -174.9 | 0 | 0 | 0 | 111.1 | L275 L287 E289 K296 | L275-L298 HydrophobicContact CD2-CD1 3.58Å; L287-L298 HydrophobicContact CD2-CB 4.43Å; L287-L298 HydrophobicContact CD2-CD1 3.87Å; L287-L298 HydrophobicContact CG-CB 4.47Å; L287-L298 HydrophobicContact CG-CD1 4.1Å; L287-L298 PolarHBondContact O-N 2.88Å; E289-L298 HydrophobicContact CB-CD1 4.15Å; E289-L298 HydrophobicContact CB-CD2 4.08Å; E289-L298 HydrophobicContact CB-CG 4.06Å; K296-L298 HydrophobicContact CD-CD2 4.32Å; K296-L298 HydrophobicContact CG-CD2 4.46Å; K296-L298 PolarHBondContact O-N 3.12Å |
| 299 | W | 94.8 | Very high | 89.7 | Confident | 14 Ų | 14 | 61 Ų | 61 | 5% | 0.053 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 157.7 | 174 | 56.9 | -109.1 | 0 | 0 | 0 | 112.1 | L285 K286 L287 L297 V301 V323 I335 D336 R339 | L285-W299 HydrophobicContact CB-CH2 4.42Å; L285-W299 HydrophobicContact CB-CZ3 3.92Å; K286-W299 WeakPolarHBondContact CA-O 3.39Å; L287-W299 HydrophobicContact CB-CD2 3.74Å; L287-W299 HydrophobicContact CB-CE3 4.36Å; L287-W299 HydrophobicContact CB-CG 4.18Å; L287-W299 HydrophobicContact CB-CH2 4.12Å; L287-W299 HydrophobicContact CB-CZ2 3.5Å; L287-W299 HydrophobicContact CD2-CZ2 4.25Å; L287-W299 VanDerWaalsContact CD2-NE1 3.26Å; L287-W299 HydrophobicContact CG-CZ2 4.39Å; L287-W299 PolarHBondContact N-O 3.07Å; L287-W299 VanDerWaalsContact N-O 3.07Å; L287-W299 PolarHBondContact O-N 2.85Å; L297-W299 VanDerWaalsContact CD1-O 3.28Å; L297-W299 WeakPolarHBondContact CD1-O 3.28Å; W299-V301 HydrophobicContact CE3-CB 4.4Å; W299-V301 HydrophobicContact CE3-CG2 3.79Å; W299-V301 HydrophobicContact CZ3-CB 4.25Å; W299-V301 HydrophobicContact CZ3-CG2 3.99Å; W299-V323 HydrophobicContact CZ2-CG2 4.39Å; W299-I335 HydrophobicContact CH2-CB 3.94Å; W299-I335 HydrophobicContact CH2-CD1 3.9Å; W299-I335 HydrophobicContact CH2-CG1 4.49Å; W299-I335 HydrophobicContact CH2-CG2 3.64Å; W299-I335 HydrophobicContact CZ2-CB 3.93Å; W299-I335 HydrophobicContact CZ2-CG2 3.41Å; W299-I335 VanDerWaalsContact CZ2-CG2 3.41Å; W299-I335 HydrophobicContact CZ3-CD1 4.16Å; W299-I335 HydrophobicContact CZ3-CG2 4.27Å; W299-D336 PolarHBondContact NE1-O 2.87Å; W299-D336 VanDerWaalsContact NE1-O 3.17Å; W299-R339 HydrophobicContact CB-CB 4.05Å; W299-R339 HydrophobicContact CB-CG 3.83Å; W299-R339 HydrophobicContact CD2-CB 4.45Å; W299-R339 HydrophobicContact CD2-CG 4.16Å; W299-R339 HydrophobicContact CE3-CG 4.47Å; W299-R339 HydrophobicContact CG-CB 3.93Å; W299-R339 HydrophobicContact CG-CG 3.9Å |
| 300 | S | 94.6 | Very high | 90.1 | Very high | 41 Ų | 41 | 60.5 Ų | 60.5 | 29% | 0.287 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 136.6 | 169.2 | -178.5 | 0 | 0 | 0 | 0 | 110.4 | L285 R339 | L285-S300 CarbonylContact O-C 3.46Å; L285-S300 VanDerWaalsContact O-CA 3.29Å; L285-S300 WeakPolarHBondContact O-CA 3.1Å; L285-S300 PolarHBondContact O-OG 3.18Å; S300-R339 PolarHBondContact O-NE 3.19Å; S300-R339 PolarHBondContact O-NH2 2.8Å |
| 301 | V | 94 | Very high | 90.7 | Very high | 13 Ų | 13 | 62.6 Ų | 62.6 | 8% | 0.079 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 133.5 | 178 | 175.6 | 0 | 0 | 0 | 0 | 107.7 | L285 W299 V303 I335 R339 | L285-V301 HydrophobicContact CB-CB 4.38Å; L285-V301 PolarHBondContact N-O 3.16Å; L285-V301 PolarHBondContact O-N 3.34Å; W299-V301 HydrophobicContact CE3-CB 4.4Å; W299-V301 HydrophobicContact CE3-CG2 3.79Å; W299-V301 HydrophobicContact CZ3-CB 4.25Å; W299-V301 HydrophobicContact CZ3-CG2 3.99Å; V301-V303 HydrophobicContact CG1-CG1 4.12Å; V301-I335 HydrophobicContact CB-CD1 4.38Å; V301-I335 HydrophobicContact CG1-CD1 4.43Å; V301-I335 HydrophobicContact CG2-CD1 4.41Å; V301-R339 HydrophobicContact CG2-CG 3.68Å |
| 302 | Q | 93.9 | Very high | 91.4 | Very high | 105 Ų | 105 | 61.3 Ų | 61.3 | 49% | 0.491 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 131.2 | 171.4 | -178.1 | 64.6 | 41.1 | 0 | 0 | 108.1 | D282 G283 T284 | D282-Q302 PolarHBondContact O-NE2 3.19Å; G283-Q302 VanDerWaalsContact C-NE2 3.34Å; G283-Q302 WeakPolarHBondContact O-CA 3.47Å; G283-Q302 PolarHBondContact O-NE2 2.77Å; T284-Q302 PolarHBondContact OG1-OE1 3.35Å |
| 303 | V | 94.2 | Very high | 92.4 | Very high | 6 Ų | 6 | 54.3 Ų | 54.3 | 4% | 0.036 | 28% | 0.279 | C | S | . | . | trans | -118.4 | 160.1 | 172.3 | -56.6 | 0 | 0 | 0 | 0 | 110.2 | M1 G283 V301 H305 L307 Y333 | M1-V303 HydrophobicContact CE-CG1 4.46Å; G283-V303 WeakPolarHBondContact O-CG2 3.37Å; G283-V303 PolarHBondContact O-N 2.95Å; V301-V303 HydrophobicContact CG1-CG1 4.12Å; V303-H305 VanDerWaalsContact C-N 3.28Å; V303-H305 PolarHBondContact O-N 2.99Å; V303-L307 HydrophobicContact CG2-CD1 3.8Å; V303-L307 HydrophobicContact CG2-CD2 4.17Å; V303-L307 HydrophobicContact CG2-CG 4Å; V303-Y333 HydrophobicContact CB-CE1 4.29Å; V303-Y333 HydrophobicContact CB-CE2 4.14Å; V303-Y333 HydrophobicContact CG1-CD1 4.1Å; V303-Y333 HydrophobicContact CG1-CD2 4.47Å; V303-Y333 HydrophobicContact CG1-CE1 3.75Å; V303-Y333 HydrophobicContact CG1-CE2 4.16Å; V303-Y333 HydrophobicContact CG1-CG 4.43Å; V303-Y333 HydrophobicContact CG2-CD2 4.5Å; V303-Y333 HydrophobicContact CG2-CE2 3.94Å | ||
| 304 | D | 92.4 | Very high | 93.5 | Very high | 160 Ų | 160 | 46.7 Ų | 46.7 | 86% | 0.856 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -91.4 | 16.2 | -177.7 | -56.9 | -42.9 | 0 | 0 | 0 | 113 | ||
| 305 | H | 94.6 | Very high | 94.2 | Very high | 41 Ų | 41 | 43.4 Ų | 43.4 | 19% | 0.19 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -120.9 | 150.6 | -172.4 | -59.6 | 51.4 | 0 | 0 | 0 | 110 | G283 V303 L307 A327 D329 Y333 R343 | G283-H305 WeakPolarHBondContact CA-O 3.29Å; V303-H305 VanDerWaalsContact C-N 3.28Å; V303-H305 PolarHBondContact O-N 2.99Å; H305-L307 PolarHBondContact O-N 3.09Å; H305-A327 HydrophobicContact CB-CB 3.77Å; H305-D329 IonicContact CD2-OD1 2.71Å; H305-D329 IonicContact CD2-OD2 3.17Å; H305-D329 PolarHBondContact CD2-OD2 3.49Å; H305-D329 IonicContact NE2-OD2 3.87Å; H305-Y333 HydrophobicContact CB-CE2 4.29Å; H305-Y333 PolarHBondContact CE1-OH 3.43Å; H305-Y333 PolarHBondContact ND1-OH 2.92Å; H305-R343 PolarHBondContact CE1-NH2 2.89Å; H305-R343 PolarHBondContact NE2-NH2 2.84Å; H305-R343 VanDerWaalsContact NE2-NH2 3.12Å |
| 306 | Q | 94.7 | Very high | 94.6 | Very high | 108 Ų | 108 | 43.6 Ų | 43.6 | 51% | 0.505 | 22% | 0.22 | S | C | . | . | trans | -83.5 | 99.4 | -176.7 | -69.1 | 177.4 | -16.9 | 0 | 0 | 111 | L281 A327 W328 | L281-Q306 HydrophobicContact CD1-CB 3.97Å; L281-Q306 WeakPolarHBondContact O-CA 3.22Å; L281-Q306 WeakPolarHBondContact O-CB 3.49Å; Q306-A327 WeakPolarHBondContact O-CA 3.5Å; Q306-A327 WeakPolarHBondContact O-CB 3.42Å; Q306-W328 HydrophobicContact CB-CE3 4.17Å; Q306-W328 PolarHBondContact O-N 2.84Å | ||
| 307 | L | 96.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 125.8 | -176.5 | -57.1 | 175 | 0 | 0 | 0 | 111.2 | C279 L281 L285 V303 H305 A325 C326 A327 Y333 | C279-L307 HydrophobicContact CB-CB 4.47Å; C279-L307 HydrophobicContact CB-CD1 4.21Å; L281-L307 VanDerWaalsContact CA-O 3.29Å; L281-L307 WeakPolarHBondContact CA-O 3.4Å; L285-L307 HydrophobicContact CD1-CD1 3.58Å; L285-L307 HydrophobicContact CD2-CD1 3.9Å; L285-L307 HydrophobicContact CG-CD1 3.49Å; L285-L307 VanDerWaalsContact CG-CD1 3.49Å; V303-L307 HydrophobicContact CG2-CD1 3.8Å; V303-L307 HydrophobicContact CG2-CD2 4.17Å; V303-L307 HydrophobicContact CG2-CG 4Å; H305-L307 PolarHBondContact O-N 3.09Å; L307-A325 HydrophobicContact CD1-CB 4.17Å; L307-A325 HydrophobicContact CD2-CB 4.1Å; L307-C326 WeakPolarHBondContact CA-O 3.35Å; L307-A327 HydrophobicContact CD2-CB 4.18Å; L307-Y333 HydrophobicContact CD2-CD2 3.83Å; L307-Y333 HydrophobicContact CD2-CE2 3.99Å |
| 308 | F | 95.1 | Very high | 94.4 | Very high | 14 Ų | 14 | 43.2 Ų | 43.2 | 6% | 0.061 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | -8.4 | -174.8 | 81 | -81.2 | 0 | 0 | 0 | 114 | H257 L281 C326 A327 W328 I350 F353 | H257-F308 PolarHBondContact CE1-O 3.18Å; H257-F308 PolarHBondContact ND1-O 3.49Å; H257-F308 PolarHBondContact NE2-O 2.7Å; H257-F308 VanDerWaalsContact NE2-O 3.14Å; L281-F308 HydrophobicContact CD1-CB 4.46Å; F308-C326 WeakPolarHBondContact CD1-O 3.36Å; F308-C326 HydrophobicContact CE1-CB 4.26Å; F308-C326 PolarHBondContact N-O 2.8Å; F308-A327 WeakPolarHBondContact CE1-O 3.35Å; F308-W328 HydrophobicContact CB-CZ2 4.45Å; F308-W328 AromaticContact CD1-CD1 3.06Å; F308-W328 AromaticContact CD1-CG 3.99Å; F308-W328 HydrophobicContact CD1-CG 3.99Å; F308-W328 AromaticContact CD1-NE1 3.52Å; F308-W328 AromaticContact CD2-CD1 3.91Å; F308-W328 AromaticContact CD2-NE1 3.72Å; F308-W328 AromaticContact CE1-CD1 3.61Å; F308-W328 AromaticContact CG-CD1 3.23Å; F308-W328 HydrophobicContact CG-CG 4.37Å; F308-W328 AromaticContact CG-NE1 3.12Å; F308-I350 HydrophobicContact CE1-CB 4.38Å; F308-I350 HydrophobicContact CE1-CG2 4.38Å; F308-I350 HydrophobicContact CZ-CB 4.26Å; F308-I350 HydrophobicContact CZ-CG2 3.85Å; F308-F353 HydrophobicContact CE2-CB 4.46Å; F308-F353 HydrophobicContact CZ-CB 3.93Å |
| 309 | A | 96.3 | Very high | 94.3 | Very high | 9 Ų | 9 | 41.4 Ų | 41.4 | 7% | 0.074 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 143.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | A325 C326 F353 | A309-A325 WeakPolarHBondContact O-CA 3.29Å; A309-C326 HydrophobicContact CB-CB 4.34Å; A309-C326 PolarHBondContact N-O 2.86Å; A309-C326 PolarHBondContact O-N 2.94Å; A309-F353 HydrophobicContact CB-CB 3.89Å; A309-F353 HydrophobicContact CB-CD1 3.7Å; A309-F353 HydrophobicContact CB-CG 4.24Å |
| 310 | L | 97.6 | Very high | 94.1 | Very high | 12 Ų | 12 | 43.9 Ų | 43.9 | 6% | 0.063 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 120.2 | -178.1 | -170.6 | 66.2 | 0 | 0 | 0 | 108.6 | H257 I259 A277 C279 L285 V323 V324 A325 | H257-L310 HydrophobicContact CB-CB 3.98Å; I259-L310 HydrophobicContact CB-CD2 4.35Å; I259-L310 HydrophobicContact CB-CG 4.36Å; I259-L310 HydrophobicContact CG2-CD2 3.76Å; I259-L310 HydrophobicContact CG2-CG 3.76Å; A277-L310 HydrophobicContact CB-CD2 4.21Å; A277-L310 WeakPolarHBondContact O-CD2 3.21Å; C279-L310 HydrophobicContact CB-CB 4.49Å; C279-L310 HydrophobicContact CB-CD1 3.97Å; C279-L310 HydrophobicContact CB-CD2 4.08Å; C279-L310 HydrophobicContact CB-CG 4.42Å; L285-L310 HydrophobicContact CD2-CD1 3.91Å; L310-V323 HydrophobicContact CD1-CG1 3.48Å; L310-V323 VanDerWaalsContact CD1-CG1 3.48Å; L310-V323 HydrophobicContact CG-CG1 4.42Å; L310-V324 WeakPolarHBondContact CA-O 3.35Å; L310-A325 HydrophobicContact CD1-CB 3.88Å |
| 311 | E | 97.8 | Very high | 94.1 | Very high | 49 Ų | 49 | 43 Ų | 43 | 23% | 0.229 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 169.9 | -177.7 | -63.8 | -67 | 176.1 | 0 | 0 | 109.7 | V324 F353 A355 | E311-V324 HydrophobicContact CB-CB 4.4Å; E311-V324 PolarHBondContact N-O 2.51Å; E311-V324 PolarHBondContact O-N 3.35Å; E311-F353 HydrophobicContact CB-CE1 4.21Å; E311-F353 HydrophobicContact CG-CD1 4.08Å; E311-F353 HydrophobicContact CG-CE1 3.75Å; E311-A355 HydrophobicContact CB-CB 3.7Å; E311-A355 HydrophobicContact CG-CB 4Å |
| 312 | K | 96.5 | Very high | 94.2 | Very high | 46 Ų | 46 | 42.6 Ų | 42.6 | 20% | 0.2 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 135.8 | 173.6 | 67.8 | -166.3 | -175.8 | 100.1 | 0 | 110 | I259 G260 N261 I262 E321 E322 | I259-K312 HydrophobicContact CG1-CB 4.4Å; I259-K312 HydrophobicContact CG1-CD 3.87Å; I259-K312 HydrophobicContact CG1-CG 4.19Å; G260-K312 WeakPolarHBondContact O-CE 3.46Å; N261-K312 PolarHBondContact O-NZ 3.25Å; I262-K312 HydrophobicContact CG1-CB 4.36Å; I262-K312 HydrophobicContact CG1-CD 4.03Å; K312-E321 HydrophobicContact CB-CB 4.34Å; K312-E321 WeakPolarHBondContact CD-OE2 3.5Å; K312-E321 IonicContact NZ-OE1 3.1Å; K312-E321 PolarHBondContact NZ-OE1 3.14Å; K312-E321 IonicContact NZ-OE2 3.2Å; K312-E321 PolarHBondContact NZ-OE2 3.49Å; K312-E322 WeakPolarHBondContact CA-O 3.17Å |
| 313 | L | 96.4 | Very high | 94.4 | Very high | 7 Ų | 7 | 37.7 Ų | 37.7 | 4% | 0.037 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 129 | -175.9 | -171.9 | 65.2 | 0 | 0 | 0 | 109.8 | V315 E322 V324 A355 P367 L369 | L313-V315 HydrophobicContact CB-CG1 4.32Å; L313-V315 HydrophobicContact CD2-CG1 3.85Å; L313-V315 HydrophobicContact CG-CG1 4.01Å; L313-V315 PolarHBondContact O-N 3.41Å; L313-E322 PolarHBondContact N-O 3.01Å; L313-E322 PolarHBondContact O-N 2.95Å; L313-E322 VanDerWaalsContact O-OE2 3.1Å; L313-V324 HydrophobicContact CB-CG2 3.91Å; L313-A355 HydrophobicContact CD2-CB 4.37Å; L313-P367 HydrophobicContact CD1-CB 3.9Å; L313-P367 HydrophobicContact CD2-CB 3.98Å; L313-P367 HydrophobicContact CG-CB 4.03Å; L313-L369 HydrophobicContact CD2-CD2 4.21Å |
| 314 | D | 95.7 | Very high | 94.6 | Very high | 36 Ų | 36 | 37.4 Ų | 37.4 | 19% | 0.193 | 21% | 0.211 | C | C | . | . | trans | -76 | 99.7 | 167.9 | 177.9 | 6.1 | 0 | 0 | 0 | 109 | T316 G317 N318 G319 H320 E321 E322 P367 | D314-T316 PolarHBondContact OD1-N 3.44Å; D314-T316 PolarHBondContact OD1-OG1 2.92Å; D314-G317 WeakPolarHBondContact OD1-CA 3.27Å; D314-G317 PolarHBondContact OD1-N 3.46Å; D314-G317 WeakPolarHBondContact OD2-CA 3.33Å; D314-N318 PolarHBondContact OD1-N 2.88Å; D314-N318 PolarHBondContact OD2-N 3.21Å; D314-G319 VanDerWaalsContact OD2-CA 3.28Å; D314-G319 WeakPolarHBondContact OD2-CA 3.33Å; D314-G319 PolarHBondContact OD2-N 3.19Å; D314-H320 WeakPolarHBondContact CA-O 3.15Å; D314-H320 WeakPolarHBondContact CB-O 3.33Å; D314-H320 VanDerWaalsContact CG-O 3.32Å; D314-E321 HydrophobicContact CB-CG 4.36Å; D314-E322 WeakPolarHBondContact CA-OE2 3.38Å; D314-P367 WeakPolarHBondContact O-CG 3.21Å | ||
| 315 | V | 93.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -91.1 | -9.5 | 177.8 | -60.2 | 0 | 0 | 0 | 0 | 112.2 | L313 E322 I334 V384 Q385 L386 M389 | L313-V315 HydrophobicContact CB-CG1 4.32Å; L313-V315 HydrophobicContact CD2-CG1 3.85Å; L313-V315 HydrophobicContact CG-CG1 4.01Å; L313-V315 PolarHBondContact O-N 3.41Å; V315-E322 HydrophobicContact CG2-CB 4.35Å; V315-E322 HydrophobicContact CG2-CG 4.06Å; V315-E322 VanDerWaalsContact CG2-OE2 3.26Å; V315-E322 WeakPolarHBondContact CG2-OE2 3.47Å; V315-E322 PolarHBondContact N-OE2 3.21Å; V315-I334 HydrophobicContact CG1-CD1 4.43Å; V315-I334 HydrophobicContact CG1-CG2 4.39Å; V315-I334 HydrophobicContact CG2-CG2 3.85Å; V315-V384 HydrophobicContact CG1-CG1 4.04Å; V315-Q385 CarbonylContact O-C 3.58Å; V315-Q385 VanDerWaalsContact O-CA 3.24Å; V315-Q385 WeakPolarHBondContact O-CA 3.43Å; V315-L386 HydrophobicContact CG2-CD1 4.02Å; V315-L386 HydrophobicContact CG2-CG 4.46Å; V315-L386 PolarHBondContact O-N 2.88Å; V315-M389 HydrophobicContact CG2-SD 4.02Å |
| 316 | T | 92.1 | Very high | 95 | Very high | 32 Ų | 32 | 27.9 Ų | 27.9 | 20% | 0.196 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -102.3 | -12.9 | -179.2 | 63.7 | 0 | 0 | 0 | 0 | 113.9 | D314 N318 E322 L386 M389 | D314-T316 PolarHBondContact OD1-N 3.44Å; D314-T316 PolarHBondContact OD1-OG1 2.92Å; T316-N318 VanDerWaalsContact C-N 3.25Å; T316-N318 PolarHBondContact O-N 3.41Å; T316-N318 PolarHBondContact OG1-ND2 2.99Å; T316-N318 VanDerWaalsContact OG1-ND2 3.09Å; T316-N318 PolarHBondContact OG1-OD1 3.44Å; T316-E322 PolarHBondContact OG1-OE1 3.34Å; T316-L386 WeakPolarHBondContact CA-O 3.44Å; T316-M389 HydrophobicContact CG2-CG 3.78Å |
| 317 | G | 90.4 | Very high | 95.1 | Very high | 61 Ų | 61 | 22.8 Ų | 22.8 | 63% | 0.629 | 14% | 0.138 | S | C | * | . | S | Bend | trans | 70.9 | 18.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | D314 | D314-G317 WeakPolarHBondContact OD1-CA 3.27Å; D314-G317 PolarHBondContact OD1-N 3.46Å; D314-G317 WeakPolarHBondContact OD2-CA 3.33Å |
| 318 | N | 89.2 | Confident | 95 | Very high | 89 Ų | 89 | 28 Ų | 28 | 48% | 0.476 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -95.3 | -0.3 | -179.5 | 70.3 | 3.3 | 0 | 0 | 0 | 112.9 | D314 T316 H320 | D314-N318 PolarHBondContact OD1-N 2.88Å; D314-N318 PolarHBondContact OD2-N 3.21Å; T316-N318 VanDerWaalsContact C-N 3.25Å; T316-N318 PolarHBondContact O-N 3.41Å; T316-N318 PolarHBondContact OG1-ND2 2.99Å; T316-N318 VanDerWaalsContact OG1-ND2 3.09Å; T316-N318 PolarHBondContact OG1-OD1 3.44Å; N318-H320 VanDerWaalsContact C-N 3.32Å; N318-H320 WeakPolarHBondContact OD1-CA 3.21Å; N318-H320 WeakPolarHBondContact OD1-CB 3.36Å; N318-H320 PolarHBondContact OD1-N 3.39Å |
| 319 | G | 89.1 | Confident | 95 | Very high | 27 Ų | 27 | 30.3 Ų | 30.3 | 28% | 0.278 | 17% | 0.17 | S | C | . | . | S | Bend | trans | 84.7 | -4.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | G265 D314 | G265-G319 VanDerWaalsContact CA-C 3.48Å; G265-G319 WeakPolarHBondContact CA-O 3.34Å; G265-G319 PolarHBondContact N-O 2.93Å; D314-G319 VanDerWaalsContact OD2-CA 3.28Å; D314-G319 WeakPolarHBondContact OD2-CA 3.33Å; D314-G319 PolarHBondContact OD2-N 3.19Å |
| 320 | H | 91.4 | Very high | 94.9 | Very high | 65 Ų | 65 | 29.9 Ų | 29.9 | 30% | 0.301 | 17% | 0.167 | S | C | . | . | B | Isolated β-bridge | trans | -87.3 | 128.9 | 170.5 | -64 | -127.4 | 0 | 0 | 0 | 108 | K263 Q264 D314 N318 H337 | K263-H320 WeakPolarHBondContact O-CA 3.49Å; Q264-H320 PolarHBondContact O-CE1 3.36Å; Q264-H320 PolarHBondContact O-NE2 2.97Å; Q264-H320 VanDerWaalsContact O-NE2 3.11Å; D314-H320 WeakPolarHBondContact CA-O 3.15Å; D314-H320 WeakPolarHBondContact CB-O 3.33Å; D314-H320 VanDerWaalsContact CG-O 3.32Å; N318-H320 VanDerWaalsContact C-N 3.32Å; N318-H320 WeakPolarHBondContact OD1-CA 3.21Å; N318-H320 WeakPolarHBondContact OD1-CB 3.36Å; N318-H320 PolarHBondContact OD1-N 3.39Å; H320-H337 AromaticContact ND1-CD2 3.97Å |
| 321 | E | 95.1 | Very high | 94.9 | Very high | 23 Ų | 23 | 30.1 Ų | 30.1 | 11% | 0.107 | 17% | 0.168 | C | C | . | . | P | Polyproline II helix | trans | -89.3 | 124.6 | 178.1 | -74.1 | 170.6 | 166.5 | 0 | 0 | 109.7 | I262 K263 K312 D314 H337 | I262-E321 HydrophobicContact CG2-CB 3.95Å; I262-E321 VanDerWaalsContact CG2-O 3.24Å; I262-E321 WeakPolarHBondContact CG2-O 3.42Å; K263-E321 HydrophobicContact CB-CB 4.44Å; K263-E321 HydrophobicContact CB-CG 3.97Å; K263-E321 HydrophobicContact CD-CG 4.39Å; K263-E321 WeakPolarHBondContact CD-OE1 3.2Å; K263-E321 HydrophobicContact CG-CG 4.38Å; K263-E321 PolarHBondContact N-OE2 3.03Å; K263-E321 IonicContact NZ-OE1 2.71Å; K263-E321 PolarHBondContact O-N 3.18Å; K312-E321 HydrophobicContact CB-CB 4.34Å; K312-E321 WeakPolarHBondContact CD-OE2 3.5Å; K312-E321 IonicContact NZ-OE1 3.1Å; K312-E321 PolarHBondContact NZ-OE1 3.14Å; K312-E321 IonicContact NZ-OE2 3.2Å; K312-E321 PolarHBondContact NZ-OE2 3.49Å; D314-E321 HydrophobicContact CB-CG 4.36Å; E321-H337 PolarHBondContact O-NE2 3.11Å |
| 322 | E | 96.1 | Very high | 94.8 | Very high | 4 Ų | 4 | 27.8 Ų | 27.8 | 2% | 0.019 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 150.6 | 170.5 | -69.8 | 78.4 | -164.4 | 0 | 0 | 111.7 | K312 L313 D314 V315 T316 I334 D336 M389 | K312-E322 WeakPolarHBondContact CA-O 3.17Å; L313-E322 PolarHBondContact N-O 3.01Å; L313-E322 PolarHBondContact O-N 2.95Å; L313-E322 VanDerWaalsContact O-OE2 3.1Å; D314-E322 WeakPolarHBondContact CA-OE2 3.38Å; V315-E322 HydrophobicContact CG2-CB 4.35Å; V315-E322 HydrophobicContact CG2-CG 4.06Å; V315-E322 VanDerWaalsContact CG2-OE2 3.26Å; V315-E322 WeakPolarHBondContact CG2-OE2 3.47Å; V315-E322 PolarHBondContact N-OE2 3.21Å; T316-E322 PolarHBondContact OG1-OE1 3.34Å; E322-I334 HydrophobicContact CB-CG2 3.61Å; E322-I334 HydrophobicContact CG-CG2 4.15Å; E322-D336 HydrophobicContact CG-CB 3.98Å; E322-M389 HydrophobicContact CG-CE 4.17Å; E322-M389 HydrophobicContact CG-CG 4.24Å; E322-M389 HydrophobicContact CG-SD 4.32Å |
| 323 | V | 97.6 | Very high | 94.9 | Very high | 3 Ų | 3 | 25.7 Ų | 25.7 | 2% | 0.018 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 121.7 | 173.9 | 179.8 | 0 | 0 | 0 | 0 | 109.1 | I262 A277 L287 W299 L310 I334 I335 | I262-V323 HydrophobicContact CD1-CG2 3.84Å; A277-V323 HydrophobicContact CB-CB 4.46Å; A277-V323 HydrophobicContact CB-CG1 3.85Å; A277-V323 HydrophobicContact CB-CG2 3.68Å; L287-V323 HydrophobicContact CD1-CG2 4.1Å; W299-V323 HydrophobicContact CZ2-CG2 4.39Å; L310-V323 HydrophobicContact CD1-CG1 3.48Å; L310-V323 VanDerWaalsContact CD1-CG1 3.48Å; L310-V323 HydrophobicContact CG-CG1 4.42Å; V323-I334 CarbonylContact O-C 3.56Å; V323-I334 WeakPolarHBondContact O-CA 3.24Å; V323-I335 PolarHBondContact N-O 3.18Å; V323-I335 PolarHBondContact O-N 3.1Å |
| 324 | V | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 115 | -179.8 | -172 | 0 | 0 | 0 | 0 | 109.7 | L310 E311 L313 T332 Y333 I334 F353 L369 | L310-V324 WeakPolarHBondContact CA-O 3.35Å; E311-V324 HydrophobicContact CB-CB 4.4Å; E311-V324 PolarHBondContact N-O 2.51Å; E311-V324 PolarHBondContact O-N 3.35Å; L313-V324 HydrophobicContact CB-CG2 3.91Å; V324-T332 HydrophobicContact CG1-CG2 3.55Å; V324-Y333 CarbonylContact C-O 3.49Å; V324-Y333 WeakPolarHBondContact CA-O 3.32Å; V324-I334 HydrophobicContact CG1-CG1 4.26Å; V324-I334 HydrophobicContact CG2-CG1 4.27Å; V324-I334 HydrophobicContact CG2-CG2 4.34Å; V324-F353 HydrophobicContact CG1-CE1 4.09Å; V324-F353 HydrophobicContact CG1-CZ 3.68Å; V324-L369 HydrophobicContact CG1-CD2 3.86Å |
| 325 | A | 98.1 | Very high | 95 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.008 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 129.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | L285 L307 A309 L310 T332 Y333 | L285-A325 HydrophobicContact CD1-CB 4Å; L285-A325 HydrophobicContact CD2-CB 3.64Å; L285-A325 HydrophobicContact CG-CB 4.41Å; L307-A325 HydrophobicContact CD1-CB 4.17Å; L307-A325 HydrophobicContact CD2-CB 4.1Å; A309-A325 WeakPolarHBondContact O-CA 3.29Å; L310-A325 HydrophobicContact CD1-CB 3.88Å; A325-T332 CarbonylContact O-C 3.07Å; A325-T332 WeakPolarHBondContact O-CA 3.25Å; A325-Y333 PolarHBondContact N-O 2.99Å; A325-Y333 PolarHBondContact O-N 2.8Å |
| 326 | C | 97.8 | Very high | 95 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 137.4 | -179.9 | -166.4 | 0 | 0 | 0 | 0 | 111.8 | L307 F308 A309 F353 | L307-C326 WeakPolarHBondContact CA-O 3.35Å; F308-C326 WeakPolarHBondContact CD1-O 3.36Å; F308-C326 HydrophobicContact CE1-CB 4.26Å; F308-C326 PolarHBondContact N-O 2.8Å; A309-C326 HydrophobicContact CB-CB 4.34Å; A309-C326 PolarHBondContact N-O 2.86Å; A309-C326 PolarHBondContact O-N 2.94Å; C326-F353 HydrophobicContact CB-CB 3.95Å; C326-F353 HydrophobicContact CB-CD1 3.61Å; C326-F353 HydrophobicContact CB-CD2 3.77Å; C326-F353 HydrophobicContact CB-CE1 3.98Å; C326-F353 HydrophobicContact CB-CE2 4.13Å; C326-F353 HydrophobicContact CB-CG 3.47Å; C326-F353 VanDerWaalsContact CB-CG 3.47Å; C326-F353 HydrophobicContact CB-CZ 4.22Å |
| 327 | A | 97.2 | Very high | 95 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 160.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | H305 Q306 L307 F308 D329 G330 Q331 | H305-A327 HydrophobicContact CB-CB 3.77Å; Q306-A327 WeakPolarHBondContact O-CA 3.5Å; Q306-A327 WeakPolarHBondContact O-CB 3.42Å; L307-A327 HydrophobicContact CD2-CB 4.18Å; F308-A327 WeakPolarHBondContact CE1-O 3.35Å; A327-D329 VanDerWaalsContact CB-OD1 3.3Å; A327-D329 WeakPolarHBondContact CB-OD1 3.27Å; A327-D329 PolarHBondContact O-N 2.88Å; A327-G330 PolarHBondContact O-N 2.86Å; A327-Q331 HydrophobicContact CB-CB 4.17Å; A327-Q331 WeakPolarHBondContact CB-O 3.49Å; A327-Q331 PolarHBondContact N-O 2.79Å |
| 328 | W | 94.1 | Very high | 95 | Very high | 111 Ų | 111 | 27.5 Ų | 27.5 | 42% | 0.42 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -23.6 | -178.8 | -70.7 | -28.8 | 0 | 0 | 0 | 114.7 | L281 Q306 F308 G330 N349 I350 | L281-W328 HydrophobicContact CD1-CH2 3.74Å; L281-W328 HydrophobicContact CD1-CZ2 3.61Å; L281-W328 HydrophobicContact CD1-CZ3 4.32Å; L281-W328 HydrophobicContact CD2-CH2 4.04Å; L281-W328 HydrophobicContact CD2-CZ2 4.44Å; L281-W328 HydrophobicContact CG-CH2 4.44Å; Q306-W328 HydrophobicContact CB-CE3 4.17Å; Q306-W328 PolarHBondContact O-N 2.84Å; F308-W328 HydrophobicContact CB-CZ2 4.45Å; F308-W328 AromaticContact CD1-CD1 3.06Å; F308-W328 AromaticContact CD1-CG 3.99Å; F308-W328 HydrophobicContact CD1-CG 3.99Å; F308-W328 AromaticContact CD1-NE1 3.52Å; F308-W328 AromaticContact CD2-CD1 3.91Å; F308-W328 AromaticContact CD2-NE1 3.72Å; F308-W328 AromaticContact CE1-CD1 3.61Å; F308-W328 AromaticContact CG-CD1 3.23Å; F308-W328 HydrophobicContact CG-CG 4.37Å; F308-W328 AromaticContact CG-NE1 3.12Å; W328-G330 VanDerWaalsContact C-N 3.3Å; W328-N349 CarbonylContact O-C 3.55Å; W328-N349 VanDerWaalsContact O-CA 3.29Å; W328-N349 WeakPolarHBondContact O-CA 3.47Å; W328-I350 PolarHBondContact O-N 3.04Å |
| 329 | D | 94.6 | Very high | 95.2 | Very high | 62 Ų | 62 | 30.1 Ų | 30.1 | 33% | 0.332 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | 10.6 | 179.8 | 63.4 | -3 | 0 | 0 | 0 | 113.4 | H305 A327 Q331 Q345 | H305-D329 IonicContact CD2-OD1 2.71Å; H305-D329 IonicContact CD2-OD2 3.17Å; H305-D329 PolarHBondContact CD2-OD2 3.49Å; H305-D329 IonicContact NE2-OD2 3.87Å; A327-D329 VanDerWaalsContact CB-OD1 3.3Å; A327-D329 WeakPolarHBondContact CB-OD1 3.27Å; A327-D329 PolarHBondContact O-N 2.88Å; D329-Q331 VanDerWaalsContact C-N 3.31Å; D329-Q331 PolarHBondContact O-N 2.69Å; D329-Q331 VanDerWaalsContact OD1-CB 3.29Å; D329-Q331 WeakPolarHBondContact OD1-CB 3.31Å; D329-Q331 PolarHBondContact OD1-N 2.82Å; D329-Q331 VanDerWaalsContact OD1-N 3.14Å; D329-Q345 PolarHBondContact O-NE2 3.37Å |
| 330 | G | 94.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | S | Bend | trans | 83.7 | 3.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | A327 W328 T332 V346 I350 | A327-G330 PolarHBondContact O-N 2.86Å; W328-G330 VanDerWaalsContact C-N 3.3Å; G330-T332 PolarHBondContact O-N 3.46Å; G330-V346 PolarHBondContact O-N 2.83Å; G330-I350 VanDerWaalsContact CA-CG1 3.48Å |
| 331 | Q | 96.8 | Very high | 95.6 | Very high | 17 Ų | 17 | 28 Ų | 28 | 8% | 0.079 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 118.8 | 171.3 | -171.5 | 67.4 | 83.7 | 0 | 0 | 110.7 | A327 D329 Y333 R343 F344 Q345 | A327-Q331 HydrophobicContact CB-CB 4.17Å; A327-Q331 WeakPolarHBondContact CB-O 3.49Å; A327-Q331 PolarHBondContact N-O 2.79Å; D329-Q331 VanDerWaalsContact C-N 3.31Å; D329-Q331 PolarHBondContact O-N 2.69Å; D329-Q331 VanDerWaalsContact OD1-CB 3.29Å; D329-Q331 WeakPolarHBondContact OD1-CB 3.31Å; D329-Q331 PolarHBondContact OD1-N 2.82Å; D329-Q331 VanDerWaalsContact OD1-N 3.14Å; Q331-Y333 HydrophobicContact CB-CE2 4.45Å; Q331-Y333 HydrophobicContact CG-CD2 4.38Å; Q331-Y333 HydrophobicContact CG-CE1 4.35Å; Q331-Y333 HydrophobicContact CG-CE2 3.62Å; Q331-R343 VanDerWaalsContact CD-NH2 3.27Å; Q331-R343 VanDerWaalsContact NE2-NE 3.16Å; Q331-R343 VanDerWaalsContact OE1-CZ 3.25Å; Q331-F344 PolarHBondContact NE2-O 2.87Å; Q331-Q345 VanDerWaalsContact CA-OE1 3.23Å |
| 332 | T | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 133.9 | 174.9 | -52.8 | 0 | 0 | 0 | 0 | 110.7 | V324 A325 G330 R343 F344 F353 Y371 | V324-T332 HydrophobicContact CG1-CG2 3.55Å; A325-T332 CarbonylContact O-C 3.07Å; A325-T332 WeakPolarHBondContact O-CA 3.25Å; G330-T332 PolarHBondContact O-N 3.46Å; T332-R343 WeakPolarHBondContact O-CA 3.16Å; T332-F344 PolarHBondContact N-O 2.69Å; T332-F344 PolarHBondContact O-N 3.16Å; T332-F353 HydrophobicContact CG2-CE2 4.48Å; T332-F353 HydrophobicContact CG2-CZ 4.3Å; T332-Y371 WeakPolarHBondContact CB-OH 3.45Å; T332-Y371 WeakPolarHBondContact OG1-CE1 3.06Å; T332-Y371 PolarHBondContact OG1-OH 2.92Å |
| 333 | Y | 97.7 | Very high | 95.6 | Very high | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.008 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 129.1 | 175.3 | -60.6 | -86 | 0 | 0 | 0 | 109.1 | M1 V303 H305 L307 V324 A325 Q331 V341 V342 R343 | M1-Y333 HydrophobicContact CE-CD1 3.81Å; M1-Y333 HydrophobicContact CE-CE1 3.67Å; M1-Y333 HydrophobicContact SD-CD1 4.43Å; M1-Y333 HydrophobicContact SD-CE1 4.02Å; V303-Y333 HydrophobicContact CB-CE1 4.29Å; V303-Y333 HydrophobicContact CB-CE2 4.14Å; V303-Y333 HydrophobicContact CG1-CD1 4.1Å; V303-Y333 HydrophobicContact CG1-CD2 4.47Å; V303-Y333 HydrophobicContact CG1-CE1 3.75Å; V303-Y333 HydrophobicContact CG1-CE2 4.16Å; V303-Y333 HydrophobicContact CG1-CG 4.43Å; V303-Y333 HydrophobicContact CG2-CD2 4.5Å; V303-Y333 HydrophobicContact CG2-CE2 3.94Å; H305-Y333 HydrophobicContact CB-CE2 4.29Å; H305-Y333 PolarHBondContact CE1-OH 3.43Å; H305-Y333 PolarHBondContact ND1-OH 2.92Å; L307-Y333 HydrophobicContact CD2-CD2 3.83Å; L307-Y333 HydrophobicContact CD2-CE2 3.99Å; V324-Y333 CarbonylContact C-O 3.49Å; V324-Y333 WeakPolarHBondContact CA-O 3.32Å; A325-Y333 PolarHBondContact N-O 2.99Å; A325-Y333 PolarHBondContact O-N 2.8Å; Q331-Y333 HydrophobicContact CB-CE2 4.45Å; Q331-Y333 HydrophobicContact CG-CD2 4.38Å; Q331-Y333 HydrophobicContact CG-CE1 4.35Å; Q331-Y333 HydrophobicContact CG-CE2 3.62Å; Y333-V341 HydrophobicContact CD1-CG1 3.99Å; Y333-V342 WeakPolarHBondContact CA-O 3.49Å; Y333-R343 HydrophobicContact CD1-CG 3.64Å; Y333-R343 HydrophobicContact CE1-CG 3.61Å; Y333-R343 PolarHBondContact OH-NH2 3.35Å |
| 334 | I | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 124.1 | 172.7 | -54.1 | 167.8 | 0 | 0 | 0 | 106.1 | Y6 V315 E322 V323 V324 V341 V342 M389 | Y6-I334 HydrophobicContact CE2-CD1 4.47Å; V315-I334 HydrophobicContact CG1-CD1 4.43Å; V315-I334 HydrophobicContact CG1-CG2 4.39Å; V315-I334 HydrophobicContact CG2-CG2 3.85Å; E322-I334 HydrophobicContact CB-CG2 3.61Å; E322-I334 HydrophobicContact CG-CG2 4.15Å; V323-I334 CarbonylContact O-C 3.56Å; V323-I334 WeakPolarHBondContact O-CA 3.24Å; V324-I334 HydrophobicContact CG1-CG1 4.26Å; V324-I334 HydrophobicContact CG2-CG1 4.27Å; V324-I334 HydrophobicContact CG2-CG2 4.34Å; I334-V341 WeakPolarHBondContact O-CA 3.26Å; I334-V342 HydrophobicContact CB-CB 4.34Å; I334-V342 PolarHBondContact N-O 2.68Å; I334-V342 PolarHBondContact O-N 3.03Å; I334-M389 HydrophobicContact CB-CE 4.26Å; I334-M389 HydrophobicContact CG2-CE 3.8Å; I334-M389 HydrophobicContact CG2-SD 4.13Å; I334-M389 WeakPolarHBondContact O-CE 3.33Å |
| 335 | I | 96.8 | Very high | 95.4 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 124.7 | -173.5 | -47.3 | -175 | 0 | 0 | 0 | 109.6 | L285 W299 V301 V323 T340 V341 | L285-I335 HydrophobicContact CB-CD1 4.5Å; L285-I335 HydrophobicContact CD1-CD1 3.66Å; W299-I335 HydrophobicContact CH2-CB 3.94Å; W299-I335 HydrophobicContact CH2-CD1 3.9Å; W299-I335 HydrophobicContact CH2-CG1 4.49Å; W299-I335 HydrophobicContact CH2-CG2 3.64Å; W299-I335 HydrophobicContact CZ2-CB 3.93Å; W299-I335 HydrophobicContact CZ2-CG2 3.41Å; W299-I335 VanDerWaalsContact CZ2-CG2 3.41Å; W299-I335 HydrophobicContact CZ3-CD1 4.16Å; W299-I335 HydrophobicContact CZ3-CG2 4.27Å; V301-I335 HydrophobicContact CB-CD1 4.38Å; V301-I335 HydrophobicContact CG1-CD1 4.43Å; V301-I335 HydrophobicContact CG2-CD1 4.41Å; V323-I335 PolarHBondContact N-O 3.18Å; V323-I335 PolarHBondContact O-N 3.1Å; I335-T340 WeakPolarHBondContact CA-O 2.87Å; I335-V341 HydrophobicContact CD1-CG1 4.31Å; I335-V341 HydrophobicContact CD1-CG2 4.05Å; I335-V341 HydrophobicContact CG1-CB 4.4Å; I335-V341 HydrophobicContact CG1-CG1 3.94Å; I335-V341 HydrophobicContact CG1-CG2 4Å; I335-V341 HydrophobicContact CG2-CG2 4.13Å |
| 336 | D | 93.6 | Very high | 95.2 | Very high | 14 Ų | 14 | 33.1 Ų | 33.1 | 8% | 0.075 | 15% | 0.151 | C | C | . | . | trans | -82.6 | 177.5 | 176.1 | 70.8 | 10.6 | 0 | 0 | 0 | 112.7 | W299 E322 N338 R339 T340 M389 | W299-D336 PolarHBondContact NE1-O 2.87Å; W299-D336 VanDerWaalsContact NE1-O 3.17Å; E322-D336 HydrophobicContact CG-CB 3.98Å; D336-N338 PolarHBondContact O-N 2.77Å; D336-N338 VanDerWaalsContact OD1-CA 3.3Å; D336-N338 WeakPolarHBondContact OD1-CA 3.32Å; D336-N338 WeakPolarHBondContact OD1-CB 2.95Å; D336-N338 PolarHBondContact OD1-N 2.67Å; D336-R339 PolarHBondContact O-N 3.35Å; D336-R339 VanDerWaalsContact O-N 3.17Å; D336-R339 PolarHBondContact OD1-N 3.49Å; D336-T340 VanDerWaalsContact CG-CB 3.49Å; D336-T340 PolarHBondContact N-O 3.02Å; D336-T340 WeakPolarHBondContact OD1-CA 3.27Å; D336-T340 WeakPolarHBondContact OD1-CB 3.36Å; D336-T340 PolarHBondContact OD1-N 2.83Å; D336-T340 PolarHBondContact OD1-OG1 2.85Å; D336-T340 WeakPolarHBondContact OD2-CB 3.47Å; D336-T340 PolarHBondContact OD2-OG1 3.32Å; D336-M389 HydrophobicContact CB-CB 4.33Å; D336-M389 HydrophobicContact CB-CE 4.19Å; D336-M389 HydrophobicContact CB-CG 4.12Å; D336-M389 WeakPolarHBondContact OD2-CB 3.18Å | ||
| 337 | H | 91.9 | Very high | 94.7 | Very high | 41 Ų | 41 | 40.4 Ų | 40.4 | 19% | 0.19 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -27.1 | 175.8 | -60.1 | -96.3 | 0 | 0 | 0 | 112.9 | K263 L275 H320 E321 R339 | K263-H337 PolarHBondContact O-NE2 3.22Å; L275-H337 VanDerWaalsContact CD1-CE1 3.4Å; L275-H337 WeakPolarHBondContact CD1-CE1 3.36Å; L275-H337 WeakPolarHBondContact CD1-ND1 3.46Å; H320-H337 AromaticContact ND1-CD2 3.97Å; E321-H337 PolarHBondContact O-NE2 3.11Å; H337-R339 VanDerWaalsContact C-N 3.27Å; H337-R339 PolarHBondContact O-N 2.86Å |
| 338 | N | 90.7 | Very high | 94.5 | Very high | 116 Ų | 116 | 42.5 Ų | 42.5 | 62% | 0.62 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | 7 | 179.7 | -66.6 | -16.7 | 0 | 0 | 0 | 113.2 | D336 T340 E390 | D336-N338 PolarHBondContact O-N 2.77Å; D336-N338 VanDerWaalsContact OD1-CA 3.3Å; D336-N338 WeakPolarHBondContact OD1-CA 3.32Å; D336-N338 WeakPolarHBondContact OD1-CB 2.95Å; D336-N338 PolarHBondContact OD1-N 2.67Å; N338-T340 PolarHBondContact O-N 3.02Å; N338-E390 PolarHBondContact ND2-OE1 2.78Å |
| 339 | R | 93.8 | Very high | 94.6 | Very high | 144 Ų | 144 | 42.2 Ų | 42.2 | 54% | 0.543 | 21% | 0.206 | S | C | . | . | trans | 65.7 | 20.3 | -177.7 | -160.2 | -165.1 | -179.8 | -162.1 | 0.1 | 113.4 | W299 S300 V301 D336 H337 | W299-R339 HydrophobicContact CB-CB 4.05Å; W299-R339 HydrophobicContact CB-CG 3.83Å; W299-R339 HydrophobicContact CD2-CB 4.45Å; W299-R339 HydrophobicContact CD2-CG 4.16Å; W299-R339 HydrophobicContact CE3-CG 4.47Å; W299-R339 HydrophobicContact CG-CB 3.93Å; W299-R339 HydrophobicContact CG-CG 3.9Å; S300-R339 PolarHBondContact O-NE 3.19Å; S300-R339 PolarHBondContact O-NH2 2.8Å; V301-R339 HydrophobicContact CG2-CG 3.68Å; D336-R339 PolarHBondContact O-N 3.35Å; D336-R339 VanDerWaalsContact O-N 3.17Å; D336-R339 PolarHBondContact OD1-N 3.49Å; H337-R339 VanDerWaalsContact C-N 3.27Å; H337-R339 PolarHBondContact O-N 2.86Å | ||
| 340 | T | 94.1 | Very high | 94.6 | Very high | 31 Ų | 31 | 39.2 Ų | 39.2 | 19% | 0.19 | 19% | 0.19 | C | C | . | . | trans | -73.2 | 127.1 | 169.1 | -50 | 0 | 0 | 0 | 0 | 109 | I335 D336 N338 M389 E390 | I335-T340 WeakPolarHBondContact CA-O 2.87Å; D336-T340 VanDerWaalsContact CG-CB 3.49Å; D336-T340 PolarHBondContact N-O 3.02Å; D336-T340 WeakPolarHBondContact OD1-CA 3.27Å; D336-T340 WeakPolarHBondContact OD1-CB 3.36Å; D336-T340 PolarHBondContact OD1-N 2.83Å; D336-T340 PolarHBondContact OD1-OG1 2.85Å; D336-T340 WeakPolarHBondContact OD2-CB 3.47Å; D336-T340 PolarHBondContact OD2-OG1 3.32Å; N338-T340 PolarHBondContact O-N 3.02Å; T340-M389 HydrophobicContact CG2-CB 4.27Å; T340-M389 WeakPolarHBondContact CG2-O 3.35Å; T340-E390 HydrophobicContact CG2-CG 4.34Å | ||
| 341 | V | 95.1 | Very high | 94.6 | Very high | 16 Ų | 16 | 43 Ų | 43 | 10% | 0.097 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 124.2 | -177.7 | -169 | 0 | 0 | 0 | 0 | 111.6 | M1 R2 Y333 I334 I335 | M1-V341 CarbonylContact C-O 3.52Å; M1-V341 WeakPolarHBondContact CA-O 3.23Å; M1-V341 HydrophobicContact CB-CB 4.42Å; M1-V341 HydrophobicContact CE-CB 3.92Å; M1-V341 HydrophobicContact CE-CG1 3.4Å; M1-V341 VanDerWaalsContact CE-CG1 3.4Å; M1-V341 HydrophobicContact CE-CG2 4.34Å; M1-V341 HydrophobicContact CG-CB 4.06Å; M1-V341 HydrophobicContact CG-CG1 3.93Å; M1-V341 HydrophobicContact SD-CG1 4.35Å; R2-V341 PolarHBondContact N-O 3.16Å; Y333-V341 HydrophobicContact CD1-CG1 3.99Å; I334-V341 WeakPolarHBondContact O-CA 3.26Å; I335-V341 HydrophobicContact CD1-CG1 4.31Å; I335-V341 HydrophobicContact CD1-CG2 4.05Å; I335-V341 HydrophobicContact CG1-CB 4.4Å; I335-V341 HydrophobicContact CG1-CG1 3.94Å; I335-V341 HydrophobicContact CG1-CG2 4Å; I335-V341 HydrophobicContact CG2-CG2 4.13Å |
| 342 | V | 95.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 139.9 | 168.1 | 172.8 | 0 | 0 | 0 | 0 | 109.3 | R2 V4 Y333 I334 L386 M389 | R2-V342 CarbonylContact O-C 3.36Å; R2-V342 VanDerWaalsContact O-CA 3.32Å; R2-V342 WeakPolarHBondContact O-CA 3.22Å; V4-V342 HydrophobicContact CB-CG1 4.06Å; V4-V342 HydrophobicContact CG1-CG1 3.53Å; V4-V342 HydrophobicContact CG2-CG1 3.38Å; Y333-V342 WeakPolarHBondContact CA-O 3.49Å; I334-V342 HydrophobicContact CB-CB 4.34Å; I334-V342 PolarHBondContact N-O 2.68Å; I334-V342 PolarHBondContact O-N 3.03Å; V342-L386 HydrophobicContact CB-CD1 4.38Å; V342-L386 HydrophobicContact CG1-CD1 4.02Å; V342-L386 HydrophobicContact CG2-CD1 4.17Å; V342-M389 HydrophobicContact CB-CE 4.08Å; V342-M389 HydrophobicContact CB-SD 4.23Å; V342-M389 HydrophobicContact CG2-CE 3.82Å; V342-M389 HydrophobicContact CG2-SD 3.7Å |
| 343 | R | 95.4 | Very high | 94.6 | Very high | 64 Ų | 64 | 42.4 Ų | 42.4 | 24% | 0.242 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 134.3 | 177.5 | -84.2 | -176.2 | 111 | 151.3 | -16.8 | 110.9 | M1 R2 S3 V4 H305 Q331 T332 Y333 | M1-R343 HydrophobicContact CG-CG 3.76Å; M1-R343 WeakPolarHBondContact SD-CD 3.18Å; M1-R343 HydrophobicContact SD-CG 3.65Å; R2-R343 PolarHBondContact O-N 2.96Å; S3-R343 CarbonylContact C-O 3.51Å; S3-R343 WeakPolarHBondContact CA-O 3.31Å; V4-R343 PolarHBondContact N-O 3.47Å; H305-R343 PolarHBondContact CE1-NH2 2.89Å; H305-R343 PolarHBondContact NE2-NH2 2.84Å; H305-R343 VanDerWaalsContact NE2-NH2 3.12Å; Q331-R343 VanDerWaalsContact CD-NH2 3.27Å; Q331-R343 VanDerWaalsContact NE2-NE 3.16Å; Q331-R343 VanDerWaalsContact OE1-CZ 3.25Å; T332-R343 WeakPolarHBondContact O-CA 3.16Å; Y333-R343 HydrophobicContact CD1-CG 3.64Å; Y333-R343 HydrophobicContact CE1-CG 3.61Å; Y333-R343 PolarHBondContact OH-NH2 3.35Å |
| 344 | F | 96.1 | Very high | 94.5 | Very high | 7 Ų | 7 | 42.9 Ų | 42.9 | 3% | 0.031 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 141.8 | 166.8 | 176.5 | -122.6 | 0 | 0 | 0 | 109 | V4 Y6 Q331 T332 V346 L369 Y371 Y381 | V4-F344 HydrophobicContact CG2-CB 4.13Å; Y6-F344 HydrophobicContact CD2-CB 4.31Å; Y6-F344 AromaticContact CD2-CD1 3.84Å; Y6-F344 HydrophobicContact CD2-CD1 3.84Å; Y6-F344 AromaticContact CD2-CD2 3.69Å; Y6-F344 HydrophobicContact CD2-CD2 3.69Å; Y6-F344 HydrophobicContact CD2-CE1 4.06Å; Y6-F344 AromaticContact CD2-CE2 3.93Å; Y6-F344 HydrophobicContact CD2-CE2 3.93Å; Y6-F344 AromaticContact CD2-CG 3.66Å; Y6-F344 HydrophobicContact CD2-CG 3.66Å; Y6-F344 HydrophobicContact CD2-CZ 4.12Å; Y6-F344 HydrophobicContact CE2-CB 4.09Å; Y6-F344 HydrophobicContact CE2-CD1 4.26Å; Y6-F344 HydrophobicContact CE2-CD2 4.27Å; Y6-F344 AromaticContact CE2-CG 3.94Å; Y6-F344 HydrophobicContact CE2-CG 3.94Å; Q331-F344 PolarHBondContact NE2-O 2.87Å; T332-F344 PolarHBondContact N-O 2.69Å; T332-F344 PolarHBondContact O-N 3.16Å; F344-V346 HydrophobicContact CD1-CG2 4.23Å; F344-V346 HydrophobicContact CE1-CG2 3.49Å; F344-V346 VanDerWaalsContact CE1-CG2 3.49Å; F344-V346 HydrophobicContact CZ-CG2 3.95Å; F344-L369 HydrophobicContact CD1-CD1 4.2Å; F344-Y371 HydrophobicContact CD1-CE2 4.48Å; F344-Y371 WeakPolarHBondContact CD1-OH 3.2Å; F344-Y371 AromaticContact CE1-CE2 3.99Å; F344-Y371 HydrophobicContact CE1-CE2 3.99Å; F344-Y381 HydrophobicContact CE1-CD1 4.27Å; F344-Y381 HydrophobicContact CE1-CD2 4.16Å; F344-Y381 HydrophobicContact CE1-CE1 4.2Å; F344-Y381 HydrophobicContact CE1-CE2 4.09Å; F344-Y381 HydrophobicContact CE1-CG 4.24Å; F344-Y381 HydrophobicContact CE2-CE1 4.42Å; F344-Y381 AromaticContact CZ-CD1 3.85Å; F344-Y381 HydrophobicContact CZ-CD1 3.85Å; F344-Y381 HydrophobicContact CZ-CD2 4.39Å; F344-Y381 AromaticContact CZ-CE1 3.49Å; F344-Y381 HydrophobicContact CZ-CE1 3.49Å; F344-Y381 VanDerWaalsContact CZ-CE1 3.49Å; F344-Y381 HydrophobicContact CZ-CE2 4.08Å; F344-Y381 HydrophobicContact CZ-CG 4.27Å; F344-Y381 AromaticContact CZ-CZ 3.61Å |
| 345 | Q | 95.3 | Very high | 94.6 | Very high | 65 Ų | 65 | 43.3 Ų | 43.3 | 30% | 0.304 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 127 | -179.5 | -179.8 | 63.8 | 34.8 | 0 | 0 | 109.1 | D329 Q331 | D329-Q345 PolarHBondContact O-NE2 3.37Å; Q331-Q345 VanDerWaalsContact CA-OE1 3.23Å |
| 346 | V | 93.8 | Very high | 94.6 | Very high | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.024 | 22% | 0.215 | C | C | . | . | trans | -101.2 | 127.7 | 165.3 | -178.7 | 0 | 0 | 0 | 0 | 107.7 | G330 F344 E348 I350 Y371 Y381 | G330-V346 PolarHBondContact O-N 2.83Å; F344-V346 HydrophobicContact CD1-CG2 4.23Å; F344-V346 HydrophobicContact CE1-CG2 3.49Å; F344-V346 VanDerWaalsContact CE1-CG2 3.49Å; F344-V346 HydrophobicContact CZ-CG2 3.95Å; V346-E348 PolarHBondContact O-N 2.98Å; V346-I350 HydrophobicContact CB-CD1 4.5Å; V346-I350 HydrophobicContact CG1-CD1 4.24Å; V346-Y371 HydrophobicContact CG2-CD1 3.93Å; V346-Y371 HydrophobicContact CG2-CD2 3.97Å; V346-Y371 HydrophobicContact CG2-CE1 3.72Å; V346-Y371 HydrophobicContact CG2-CE2 3.75Å; V346-Y371 HydrophobicContact CG2-CG 4.05Å; V346-Y381 HydrophobicContact CG2-CE2 3.94Å | ||
| 347 | D | 88.3 | Confident | 94.7 | Very high | 153 Ų | 153 | 47 Ų | 47 | 82% | 0.818 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -78.6 | 38.5 | -175.5 | -63.2 | -38.4 | 0 | 0 | 0 | 113.4 | ||
| 348 | E | 92.8 | Very high | 94.9 | Very high | 44 Ų | 44 | 45 Ų | 45 | 21% | 0.206 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -146.1 | 150.5 | 177.6 | -67.1 | -164.6 | -145 | 0 | 0 | 111.1 | V346 I350 T373 N375 Y379 | V346-E348 PolarHBondContact O-N 2.98Å; E348-I350 VanDerWaalsContact O-CD1 3.24Å; E348-I350 WeakPolarHBondContact O-CD1 3.2Å; E348-T373 HydrophobicContact CB-CG2 3.98Å; E348-T373 WeakPolarHBondContact OE2-CB 3.23Å; E348-T373 WeakPolarHBondContact OE2-CG2 3.33Å; E348-N375 PolarHBondContact OE2-ND2 2.84Å; E348-Y379 VanDerWaalsContact OE1-CE2 3.23Å; E348-Y379 WeakPolarHBondContact OE1-CE2 3.38Å; E348-Y379 PolarHBondContact OE1-OH 2.88Å |
| 349 | N | 94.7 | Very high | 95.2 | Very high | 104 Ų | 104 | 39.6 Ų | 39.6 | 56% | 0.556 | 19% | 0.193 | S | C | * | . | trans | -70.5 | 136.2 | 172.4 | -69.4 | -22.6 | 0 | 0 | 0 | 110.5 | W328 F374 | W328-N349 CarbonylContact O-C 3.55Å; W328-N349 VanDerWaalsContact O-CA 3.29Å; W328-N349 WeakPolarHBondContact O-CA 3.47Å; N349-F374 HydrophobicContact CB-CD2 3.74Å; N349-F374 HydrophobicContact CB-CE2 4.22Å; N349-F374 PolarHBondContact O-N 2.8Å | ||
| 350 | I | 95.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 127.3 | -171.9 | -50 | -53.1 | 0 | 0 | 0 | 109.9 | F308 W328 G330 V346 E348 A352 F353 Y371 T373 F374 | F308-I350 HydrophobicContact CE1-CB 4.38Å; F308-I350 HydrophobicContact CE1-CG2 4.38Å; F308-I350 HydrophobicContact CZ-CB 4.26Å; F308-I350 HydrophobicContact CZ-CG2 3.85Å; W328-I350 PolarHBondContact O-N 3.04Å; G330-I350 VanDerWaalsContact CA-CG1 3.48Å; V346-I350 HydrophobicContact CB-CD1 4.5Å; V346-I350 HydrophobicContact CG1-CD1 4.24Å; E348-I350 VanDerWaalsContact O-CD1 3.24Å; E348-I350 WeakPolarHBondContact O-CD1 3.2Å; I350-A352 WeakPolarHBondContact CG2-O 3.28Å; I350-F353 HydrophobicContact CG2-CB 4.28Å; I350-Y371 HydrophobicContact CD1-CD1 3.78Å; I350-Y371 HydrophobicContact CD1-CG 4.3Å; I350-Y371 HydrophobicContact CG1-CD1 3.96Å; I350-Y371 HydrophobicContact CG2-CD1 4.24Å; I350-T373 HydrophobicContact CD1-CG2 4.29Å; I350-F374 WeakPolarHBondContact O-CE2 3.38Å |
| 351 | R | 94.6 | Very high | 94.9 | Very high | 78 Ų | 78 | 35 Ų | 35 | 29% | 0.294 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | -41.3 | 177.8 | -174.9 | 175.5 | -161.8 | 130.6 | 18.5 | 112.1 | S17 L18 V372 F374 | S17-R351 PolarHBondContact OG-NH1 2.87Å; S17-R351 PolarHBondContact OG-NH2 3.13Å; L18-R351 PolarHBondContact O-NE 2.86Å; L18-R351 VanDerWaalsContact O-NE 3.13Å; R351-V372 HydrophobicContact CB-CG1 4.49Å; R351-V372 WeakPolarHBondContact CB-O 3.08Å; R351-V372 PolarHBondContact N-O 3.43Å; R351-F374 HydrophobicContact CB-CD1 4.38Å; R351-F374 HydrophobicContact CB-CD2 4.2Å; R351-F374 HydrophobicContact CB-CE1 4.19Å; R351-F374 HydrophobicContact CB-CE2 4.01Å; R351-F374 HydrophobicContact CB-CG 4.39Å; R351-F374 HydrophobicContact CB-CZ 4Å; R351-F374 HydrophobicContact CG-CD1 4.5Å; R351-F374 HydrophobicContact CG-CE1 4.06Å; R351-F374 HydrophobicContact CG-CZ 4.14Å |
| 352 | A | 96 | Very high | 94.4 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 151.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | L18 I23 I350 V372 | L18-A352 HydrophobicContact CD1-CB 3.39Å; I23-A352 HydrophobicContact CG2-CB 4.14Å; I350-A352 WeakPolarHBondContact CG2-O 3.28Å; A352-V372 HydrophobicContact CB-CB 4.01Å; A352-V372 HydrophobicContact CB-CG2 4.03Å; A352-V372 PolarHBondContact N-O 2.84Å; A352-V372 PolarHBondContact O-N 3.19Å |
| 353 | F | 97.5 | Very high | 94.1 | Very high | 6 Ų | 6 | 43 Ų | 43 | 3% | 0.026 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 139 | -177.2 | 172.2 | -95.7 | 0 | 0 | 0 | 108.3 | F308 A309 E311 V324 C326 T332 I350 A355 L369 V370 Y371 | F308-F353 HydrophobicContact CE2-CB 4.46Å; F308-F353 HydrophobicContact CZ-CB 3.93Å; A309-F353 HydrophobicContact CB-CB 3.89Å; A309-F353 HydrophobicContact CB-CD1 3.7Å; A309-F353 HydrophobicContact CB-CG 4.24Å; E311-F353 HydrophobicContact CB-CE1 4.21Å; E311-F353 HydrophobicContact CG-CD1 4.08Å; E311-F353 HydrophobicContact CG-CE1 3.75Å; V324-F353 HydrophobicContact CG1-CE1 4.09Å; V324-F353 HydrophobicContact CG1-CZ 3.68Å; C326-F353 HydrophobicContact CB-CB 3.95Å; C326-F353 HydrophobicContact CB-CD1 3.61Å; C326-F353 HydrophobicContact CB-CD2 3.77Å; C326-F353 HydrophobicContact CB-CE1 3.98Å; C326-F353 HydrophobicContact CB-CE2 4.13Å; C326-F353 HydrophobicContact CB-CG 3.47Å; C326-F353 VanDerWaalsContact CB-CG 3.47Å; C326-F353 HydrophobicContact CB-CZ 4.22Å; T332-F353 HydrophobicContact CG2-CE2 4.48Å; T332-F353 HydrophobicContact CG2-CZ 4.3Å; I350-F353 HydrophobicContact CG2-CB 4.28Å; F353-A355 HydrophobicContact CE1-CB 4.13Å; F353-A355 HydrophobicContact CZ-CB 3.99Å; F353-L369 HydrophobicContact CE2-CB 4.35Å; F353-L369 HydrophobicContact CE2-CD2 4.06Å; F353-L369 HydrophobicContact CZ-CD2 3.73Å; F353-V370 WeakPolarHBondContact CA-O 3.4Å; F353-Y371 AromaticContact CD2-CD1 3.78Å; F353-Y371 HydrophobicContact CD2-CD1 3.78Å; F353-Y371 AromaticContact CD2-CE1 3.57Å; F353-Y371 HydrophobicContact CD2-CE1 3.57Å; F353-Y371 HydrophobicContact CD2-CG 4.44Å; F353-Y371 HydrophobicContact CE2-CD1 4.24Å; F353-Y371 AromaticContact CE2-CE1 3.64Å; F353-Y371 HydrophobicContact CE2-CE1 3.64Å; F353-Y371 HydrophobicContact CE2-CE2 4.33Å; F353-Y371 AromaticContact CE2-CZ 3.68Å |
| 354 | C | 96.8 | Very high | 94 | Very high | 12 Ų | 12 | 45.3 Ų | 45.3 | 8% | 0.081 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 146.6 | 172.3 | 179.4 | 0 | 0 | 0 | 0 | 107.8 | I23 V370 | I23-C354 HydrophobicContact CD1-CB 4.37Å; I23-C354 HydrophobicContact CG1-CB 4.24Å; I23-C354 HydrophobicContact CG2-CB 4.31Å; C354-V370 HydrophobicContact CB-CB 4.47Å; C354-V370 PolarHBondContact N-O 3.47Å; C354-V370 VanDerWaalsContact N-O 3.1Å; C354-V370 PolarHBondContact O-N 2.96Å |
| 355 | A | 97.6 | Very high | 94 | Very high | 8 Ų | 8 | 47.5 Ų | 47.5 | 7% | 0.066 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 147 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | E311 L313 F353 C368 L369 | E311-A355 HydrophobicContact CB-CB 3.7Å; E311-A355 HydrophobicContact CG-CB 4Å; L313-A355 HydrophobicContact CD2-CB 4.37Å; F353-A355 HydrophobicContact CE1-CB 4.13Å; F353-A355 HydrophobicContact CZ-CB 3.99Å; A355-C368 WeakPolarHBondContact CA-O 3.04Å; A355-L369 HydrophobicContact CB-CD2 3.79Å |
| 356 | G | 96.8 | Very high | 94 | Very high | 15 Ų | 15 | 44.6 Ų | 44.6 | 16% | 0.155 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 164.4 | -165.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | C368 | G356-C368 PolarHBondContact N-O 3.39Å; G356-C368 PolarHBondContact O-N 2.97Å |
| 357 | L | 96.8 | Very high | 94.1 | Very high | 78 Ų | 78 | 45.1 Ų | 45.1 | 41% | 0.408 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 129.3 | 176.7 | -63.6 | -178.7 | 0 | 0 | 0 | 109.9 | N34 N365 S366 P367 | N34-L357 WeakPolarHBondContact CB-O 3.33Å; N34-L357 WeakPolarHBondContact ND2-CB 3.02Å; N34-L357 PolarHBondContact ND2-O 2.83Å; L357-N365 HydrophobicContact CB-CB 4.11Å; L357-N365 HydrophobicContact CD1-CB 4.45Å; L357-S366 WeakPolarHBondContact CA-O 3.2Å; L357-P367 HydrophobicContact CD2-CG 4.21Å |
| 358 | Y | 96.7 | Very high | 94.5 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 0% | 0.004 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 137.7 | 175.7 | 175.8 | -112.8 | 0 | 0 | 0 | 110 | L25 N34 L36 N50 C360 S366 V380 | L25-Y358 HydrophobicContact CD2-CD2 3.79Å; L25-Y358 HydrophobicContact CD2-CG 4.11Å; N34-Y358 WeakPolarHBondContact O-CD2 3.32Å; L36-Y358 HydrophobicContact CB-CD2 4.12Å; L36-Y358 HydrophobicContact CB-CE2 3.74Å; N50-Y358 PolarHBondContact N-OH 2.82Å; N50-Y358 WeakPolarHBondContact O-CE1 3.06Å; N50-Y358 VanDerWaalsContact O-CZ 3.32Å; N50-Y358 PolarHBondContact O-OH 3.17Å; Y358-C360 HydrophobicContact CD1-CB 3.61Å; Y358-C360 HydrophobicContact CE1-CB 3.58Å; Y358-C360 PolarHBondContact O-N 3.08Å; Y358-C360 VanDerWaalsContact O-N 3.16Å; Y358-S366 PolarHBondContact N-O 3.39Å; Y358-S366 PolarHBondContact O-N 2.99Å; Y358-S366 PolarHBondContact O-OG 2.82Å; Y358-V380 HydrophobicContact CD1-CG1 3.76Å; Y358-V380 HydrophobicContact CE1-CG1 4.05Å |
| 359 | A | 96.3 | Very high | 94.7 | Very high | 2 Ų | 2 | 35.7 Ų | 35.7 | 2% | 0.017 | 19% | 0.187 | C | C | . | . | trans | -87.7 | 74.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | L33 N34 N50 R364 | L33-A359 HydrophobicContact CB-CB 3.62Å; L33-A359 HydrophobicContact CD1-CB 4.34Å; L33-A359 HydrophobicContact CD2-CB 4.06Å; L33-A359 HydrophobicContact CG-CB 4.22Å; N34-A359 PolarHBondContact O-N 2.89Å; N34-A359 VanDerWaalsContact O-N 3.08Å; N50-A359 WeakPolarHBondContact CA-O 3.47Å; N50-A359 PolarHBondContact N-O 3.16Å; A359-R364 WeakPolarHBondContact CA-O 3.43Å | ||
| 360 | C | 91.7 | Very high | 94.9 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.007 | 16% | 0.16 | C | C | . | . | trans | -74.9 | -48.2 | -179.5 | -168.9 | 0 | 0 | 0 | 0 | 112.4 | N50 D51 Y358 W382 | N50-C360 CarbonylContact C-O 3.57Å; N50-C360 WeakPolarHBondContact CA-O 3.37Å; D51-C360 PolarHBondContact N-O 3Å; D51-C360 VanDerWaalsContact N-O 3.11Å; Y358-C360 HydrophobicContact CD1-CB 3.61Å; Y358-C360 HydrophobicContact CE1-CB 3.58Å; Y358-C360 PolarHBondContact O-N 3.08Å; Y358-C360 VanDerWaalsContact O-N 3.16Å; C360-W382 HydrophobicContact CB-CB 3.71Å; C360-W382 HydrophobicContact CB-CD2 4.4Å; C360-W382 HydrophobicContact CB-CG 3.95Å | ||
| 361 | K | 89.2 | Confident | 95 | Very high | 77 Ų | 77 | 30.8 Ų | 30.8 | 34% | 0.335 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -139.2 | 163.8 | -177.8 | -66.7 | -161.3 | 179.9 | -145.7 | 0 | 110.7 | D51 G363 W382 | D51-K361 HydrophobicContact CB-CG 4.34Å; D51-K361 WeakPolarHBondContact OD2-CE 3.32Å; D51-K361 IonicContact OD2-NZ 3.49Å; D51-K361 PolarHBondContact OD2-NZ 3.15Å; K361-G363 PolarHBondContact O-N 3.46Å; K361-G363 VanDerWaalsContact O-N 3.1Å; K361-W382 HydrophobicContact CB-CE3 4.31Å; K361-W382 HydrophobicContact CB-CZ3 4.11Å; K361-W382 HydrophobicContact CD-CH2 3.7Å; K361-W382 HydrophobicContact CD-CZ2 3.73Å; K361-W382 HydrophobicContact CD-CZ3 4.1Å; K361-W382 HydrophobicContact CG-CE3 4.41Å; K361-W382 HydrophobicContact CG-CH2 4.39Å; K361-W382 HydrophobicContact CG-CZ2 4.49Å; K361-W382 HydrophobicContact CG-CZ3 4.32Å |
| 362 | E | 86 | Confident | 95.1 | Very high | 136 Ų | 136 | 27 Ų | 27 | 64% | 0.636 | 15% | 0.146 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.3 | 16.2 | 170.8 | -48.5 | -179.1 | 154.9 | 0 | 0 | 114.8 | R364 | E362-R364 HydrophobicContact CB-CG 4.22Å; E362-R364 PolarHBondContact O-N 2.66Å; E362-R364 IonicContact OE2-CZ 2.78Å; E362-R364 IonicContact OE2-NE 2.85Å; E362-R364 PolarHBondContact OE2-NE 3.29Å; E362-R364 IonicContact OE2-NH2 3.9Å; E362-R364 PolarHBondContact OE2-NH2 2.77Å |
| 363 | G | 88.7 | Confident | 95 | Very high | 49 Ų | 49 | 27.2 Ų | 27.2 | 51% | 0.505 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57 | 32.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L33 K361 | L33-G363 VanDerWaalsContact CD2-O 3.32Å; L33-G363 WeakPolarHBondContact CD2-O 3.49Å; K361-G363 PolarHBondContact O-N 3.46Å; K361-G363 VanDerWaalsContact O-N 3.1Å |
| 364 | R | 93.7 | Very high | 94.7 | Very high | 111 Ų | 111 | 32.2 Ų | 32.2 | 42% | 0.419 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -135.5 | 143.9 | 178.1 | 68.5 | -178.1 | 174.1 | 128.6 | 2 | 111.4 | A359 E362 S366 E383 | A359-R364 WeakPolarHBondContact CA-O 3.43Å; E362-R364 HydrophobicContact CB-CG 4.22Å; E362-R364 PolarHBondContact O-N 2.66Å; E362-R364 IonicContact OE2-CZ 2.78Å; E362-R364 IonicContact OE2-NE 2.85Å; E362-R364 PolarHBondContact OE2-NE 3.29Å; E362-R364 IonicContact OE2-NH2 3.9Å; E362-R364 PolarHBondContact OE2-NH2 2.77Å; R364-S366 PolarHBondContact O-N 3.2Å; R364-E383 IonicContact CZ-OE1 2.59Å; R364-E383 IonicContact NH2-OE1 3.09Å; R364-E383 PolarHBondContact NH2-OE1 2.8Å |
| 365 | N | 95.1 | Very high | 94.4 | Very high | 53 Ų | 53 | 36.9 Ų | 36.9 | 28% | 0.283 | 19% | 0.193 | S | C | . | . | trans | -68.3 | 123 | 171 | -77.2 | -36.8 | 0 | 0 | 0 | 110.3 | T32 N34 L357 | T32-N365 PolarHBondContact O-ND2 2.93Å; N34-N365 WeakPolarHBondContact CB-OD1 3.29Å; N34-N365 PolarHBondContact N-OD1 3.34Å; L357-N365 HydrophobicContact CB-CB 4.11Å; L357-N365 HydrophobicContact CD1-CB 4.45Å | ||
| 366 | S | 94.8 | Very high | 93.9 | Very high | 5 Ų | 5 | 42 Ų | 42 | 4% | 0.035 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 149.2 | 177.2 | 67.9 | 0 | 0 | 0 | 0 | 110.9 | L357 Y358 R364 C368 | L357-S366 WeakPolarHBondContact CA-O 3.2Å; Y358-S366 PolarHBondContact N-O 3.39Å; Y358-S366 PolarHBondContact O-N 2.99Å; Y358-S366 PolarHBondContact O-OG 2.82Å; R364-S366 PolarHBondContact O-N 3.2Å; S366-C368 PolarHBondContact O-N 3.21Å; S366-C368 PolarHBondContact O-SG 2.83Å |
| 367 | P | 95.9 | Very high | 93.7 | Very high | 14 Ų | 14 | 46 Ų | 46 | 9% | 0.091 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 126.4 | 173.2 | -23.2 | 33.9 | 0 | 0 | 0 | 110.9 | L313 D314 L357 E383 V384 | L313-P367 HydrophobicContact CD1-CB 3.9Å; L313-P367 HydrophobicContact CD2-CB 3.98Å; L313-P367 HydrophobicContact CG-CB 4.03Å; D314-P367 WeakPolarHBondContact O-CG 3.21Å; L357-P367 HydrophobicContact CD2-CG 4.21Å; P367-E383 PolarHBondContact O-N 2.89Å; P367-V384 PolarHBondContact O-N 2.83Å |
| 368 | C | 97.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 149.7 | -174.2 | -68.3 | 0 | 0 | 0 | 0 | 111.9 | A355 G356 S366 V380 Y381 W382 | A355-C368 WeakPolarHBondContact CA-O 3.04Å; G356-C368 PolarHBondContact N-O 3.39Å; G356-C368 PolarHBondContact O-N 2.97Å; S366-C368 PolarHBondContact O-N 3.21Å; S366-C368 PolarHBondContact O-SG 2.83Å; C368-V380 HydrophobicContact CB-CG1 4.38Å; C368-Y381 VanDerWaalsContact CA-O 3.23Å; C368-Y381 WeakPolarHBondContact CA-O 3.46Å; C368-Y381 WeakPolarHBondContact CB-O 3.41Å; C368-W382 VanDerWaalsContact SG-CA 3.6Å |
| 369 | L | 97.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 122.1 | 168.9 | -61.1 | 169.6 | 0 | 0 | 0 | 108.3 | Y6 L313 V324 F344 F353 A355 Y371 Y381 V384 | Y6-L369 HydrophobicContact CD2-CD1 4.4Å; Y6-L369 HydrophobicContact CE2-CD1 4.13Å; L313-L369 HydrophobicContact CD2-CD2 4.21Å; V324-L369 HydrophobicContact CG1-CD2 3.86Å; F344-L369 HydrophobicContact CD1-CD1 4.2Å; F353-L369 HydrophobicContact CE2-CB 4.35Å; F353-L369 HydrophobicContact CE2-CD2 4.06Å; F353-L369 HydrophobicContact CZ-CD2 3.73Å; A355-L369 HydrophobicContact CB-CD2 3.79Å; L369-Y371 HydrophobicContact CB-CD2 4.35Å; L369-Y371 HydrophobicContact CB-CE2 3.51Å; L369-Y371 HydrophobicContact CD1-CE2 4.49Å; L369-Y381 PolarHBondContact N-O 2.87Å; L369-Y381 PolarHBondContact O-N 3.26Å; L369-V384 HydrophobicContact CB-CG2 4.28Å; L369-V384 HydrophobicContact CD1-CB 4.45Å; L369-V384 HydrophobicContact CD1-CG1 3.65Å; L369-V384 HydrophobicContact CD1-CG2 4Å; L369-V384 HydrophobicContact CG-CB 4.32Å; L369-V384 HydrophobicContact CG-CG1 3.88Å; L369-V384 HydrophobicContact CG-CG2 3.84Å |
| 370 | V | 98 | Very high | 93.7 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 120.6 | -176.4 | -173.2 | 0 | 0 | 0 | 0 | 109.7 | I23 L25 L36 F353 C354 I378 Y379 V380 | I23-V370 HydrophobicContact CD1-CG1 3.85Å; L25-V370 HydrophobicContact CD1-CG2 4.27Å; L25-V370 HydrophobicContact CD2-CG2 4.35Å; L36-V370 HydrophobicContact CD1-CG1 4.09Å; L36-V370 HydrophobicContact CD2-CG1 4.02Å; F353-V370 WeakPolarHBondContact CA-O 3.4Å; C354-V370 HydrophobicContact CB-CB 4.47Å; C354-V370 PolarHBondContact N-O 3.47Å; C354-V370 VanDerWaalsContact N-O 3.1Å; C354-V370 PolarHBondContact O-N 2.96Å; V370-I378 HydrophobicContact CG1-CG2 3.54Å; V370-Y379 WeakPolarHBondContact CA-O 3.22Å; V370-V380 HydrophobicContact CG1-CG2 4.23Å; V370-V380 HydrophobicContact CG2-CG1 4.4Å; V370-V380 HydrophobicContact CG2-CG2 4.29Å |
| 371 | Y | 97.6 | Very high | 94 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 113.9 | -176.7 | -64.5 | -88 | 0 | 0 | 0 | 110.2 | T332 F344 V346 I350 F353 L369 I378 Y379 Y381 | T332-Y371 WeakPolarHBondContact CB-OH 3.45Å; T332-Y371 WeakPolarHBondContact OG1-CE1 3.06Å; T332-Y371 PolarHBondContact OG1-OH 2.92Å; F344-Y371 HydrophobicContact CD1-CE2 4.48Å; F344-Y371 WeakPolarHBondContact CD1-OH 3.2Å; F344-Y371 AromaticContact CE1-CE2 3.99Å; F344-Y371 HydrophobicContact CE1-CE2 3.99Å; V346-Y371 HydrophobicContact CG2-CD1 3.93Å; V346-Y371 HydrophobicContact CG2-CD2 3.97Å; V346-Y371 HydrophobicContact CG2-CE1 3.72Å; V346-Y371 HydrophobicContact CG2-CE2 3.75Å; V346-Y371 HydrophobicContact CG2-CG 4.05Å; I350-Y371 HydrophobicContact CD1-CD1 3.78Å; I350-Y371 HydrophobicContact CD1-CG 4.3Å; I350-Y371 HydrophobicContact CG1-CD1 3.96Å; I350-Y371 HydrophobicContact CG2-CD1 4.24Å; F353-Y371 AromaticContact CD2-CD1 3.78Å; F353-Y371 HydrophobicContact CD2-CD1 3.78Å; F353-Y371 AromaticContact CD2-CE1 3.57Å; F353-Y371 HydrophobicContact CD2-CE1 3.57Å; F353-Y371 HydrophobicContact CD2-CG 4.44Å; F353-Y371 HydrophobicContact CE2-CD1 4.24Å; F353-Y371 AromaticContact CE2-CE1 3.64Å; F353-Y371 HydrophobicContact CE2-CE1 3.64Å; F353-Y371 HydrophobicContact CE2-CE2 4.33Å; F353-Y371 AromaticContact CE2-CZ 3.68Å; L369-Y371 HydrophobicContact CB-CD2 4.35Å; L369-Y371 HydrophobicContact CB-CE2 3.51Å; L369-Y371 HydrophobicContact CD1-CE2 4.49Å; Y371-I378 CarbonylContact O-C 3.57Å; Y371-I378 WeakPolarHBondContact O-CA 3.31Å; Y371-Y379 PolarHBondContact N-O 2.75Å; Y371-Y379 PolarHBondContact O-N 3.08Å; Y371-Y381 AromaticContact CD2-CD2 3.62Å; Y371-Y381 HydrophobicContact CD2-CD2 3.62Å; Y371-Y381 AromaticContact CD2-CE2 3.84Å; Y371-Y381 HydrophobicContact CD2-CE2 3.84Å; Y371-Y381 AromaticContact CE2-CD2 3.63Å; Y371-Y381 HydrophobicContact CE2-CD2 3.63Å; Y371-Y381 HydrophobicContact CE2-CE2 4.01Å |
| 372 | V | 96.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 119.9 | 170.2 | -174.3 | 0 | 0 | 0 | 0 | 108.2 | L18 I23 R351 A352 I378 | L18-V372 HydrophobicContact CD2-CB 4.34Å; L18-V372 HydrophobicContact CD2-CG1 3.5Å; L18-V372 HydrophobicContact CD2-CG2 4.14Å; L18-V372 HydrophobicContact CG-CG1 4.2Å; I23-V372 HydrophobicContact CD1-CG2 3.46Å; I23-V372 VanDerWaalsContact CD1-CG2 3.46Å; R351-V372 HydrophobicContact CB-CG1 4.49Å; R351-V372 WeakPolarHBondContact CB-O 3.08Å; R351-V372 PolarHBondContact N-O 3.43Å; A352-V372 HydrophobicContact CB-CB 4.01Å; A352-V372 HydrophobicContact CB-CG2 4.03Å; A352-V372 PolarHBondContact N-O 2.84Å; A352-V372 PolarHBondContact O-N 3.19Å; V372-I378 HydrophobicContact CG1-CG1 4.42Å; V372-I378 HydrophobicContact CG2-CG1 4.24Å; V372-I378 HydrophobicContact CG2-CG2 4.47Å |
| 373 | T | 94.7 | Very high | 94.4 | Very high | 3 Ų | 3 | 36.9 Ų | 36.9 | 2% | 0.018 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 160.9 | -177.7 | 65.4 | 0 | 0 | 0 | 0 | 112.3 | E348 I350 N375 K377 Y379 | E348-T373 HydrophobicContact CB-CG2 3.98Å; E348-T373 WeakPolarHBondContact OE2-CB 3.23Å; E348-T373 WeakPolarHBondContact OE2-CG2 3.33Å; I350-T373 HydrophobicContact CD1-CG2 4.29Å; T373-N375 PolarHBondContact O-N 3.26Å; T373-N375 PolarHBondContact OG1-N 2.59Å; T373-K377 PolarHBondContact N-O 3.23Å; T373-K377 PolarHBondContact OG1-N 2.98Å; T373-K377 PolarHBondContact OG1-O 2.76Å; T373-Y379 HydrophobicContact CG2-CD2 3.64Å; T373-Y379 HydrophobicContact CG2-CE2 3.65Å |
| 374 | F | 91.1 | Very high | 94.6 | Very high | 112 Ų | 112 | 34.6 Ų | 34.6 | 49% | 0.491 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -13.6 | 169.1 | -75 | -83.9 | 0 | 0 | 0 | 113.3 | N349 I350 R351 Q376 | N349-F374 HydrophobicContact CB-CD2 3.74Å; N349-F374 HydrophobicContact CB-CE2 4.22Å; N349-F374 PolarHBondContact O-N 2.8Å; I350-F374 WeakPolarHBondContact O-CE2 3.38Å; R351-F374 HydrophobicContact CB-CD1 4.38Å; R351-F374 HydrophobicContact CB-CD2 4.2Å; R351-F374 HydrophobicContact CB-CE1 4.19Å; R351-F374 HydrophobicContact CB-CE2 4.01Å; R351-F374 HydrophobicContact CB-CG 4.39Å; R351-F374 HydrophobicContact CB-CZ 4Å; R351-F374 HydrophobicContact CG-CD1 4.5Å; R351-F374 HydrophobicContact CG-CE1 4.06Å; R351-F374 HydrophobicContact CG-CZ 4.14Å; F374-Q376 VanDerWaalsContact C-N 3.26Å; F374-Q376 PolarHBondContact O-N 2.88Å |
| 375 | N | 89.3 | Confident | 94.5 | Very high | 109 Ų | 109 | 34.2 Ų | 34.2 | 58% | 0.583 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | 19.3 | 179.7 | -64.8 | -33 | 0 | 0 | 0 | 113.4 | E348 T373 K377 | E348-N375 PolarHBondContact OE2-ND2 2.84Å; T373-N375 PolarHBondContact O-N 3.26Å; T373-N375 PolarHBondContact OG1-N 2.59Å; N375-K377 VanDerWaalsContact C-N 3.28Å; N375-K377 PolarHBondContact O-N 2.8Å |
| 376 | Q | 86.9 | Confident | 94.3 | Very high | 115 Ų | 115 | 32.4 Ų | 32.4 | 54% | 0.537 | 15% | 0.152 | S | C | . | . | S | Bend | trans | 60.7 | 38.2 | 176.3 | -64 | 175.3 | 101.3 | 0 | 0 | 112.6 | F14 F374 | F14-Q376 CarbonylContact O-C 3.52Å; F14-Q376 WeakPolarHBondContact O-CA 3.28Å; F14-Q376 VanDerWaalsContact O-CB 3.24Å; F14-Q376 WeakPolarHBondContact O-CB 3.18Å; F374-Q376 VanDerWaalsContact C-N 3.26Å; F374-Q376 PolarHBondContact O-N 2.88Å |
| 377 | K | 93.4 | Very high | 93.9 | Very high | 99 Ų | 99 | 41.5 Ų | 41.5 | 43% | 0.43 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 145.3 | 172.7 | -71.1 | -172.2 | 178.1 | -178.2 | 0 | 110.3 | T373 N375 Y379 | T373-K377 PolarHBondContact N-O 3.23Å; T373-K377 PolarHBondContact OG1-N 2.98Å; T373-K377 PolarHBondContact OG1-O 2.76Å; N375-K377 VanDerWaalsContact C-N 3.28Å; N375-K377 PolarHBondContact O-N 2.8Å; K377-Y379 HydrophobicContact CB-CE2 4.35Å |
| 378 | I | 96.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 124.5 | 169.7 | -53.1 | 173.1 | 0 | 0 | 0 | 107.5 | A11 L12 F14 L36 V38 Y48 V370 Y371 V372 V380 | A11-I378 CarbonylContact C-O 3.55Å; A11-I378 WeakPolarHBondContact CA-O 3.45Å; L12-I378 HydrophobicContact CB-CB 4.16Å; L12-I378 HydrophobicContact CD1-CB 4.42Å; L12-I378 HydrophobicContact CD1-CG2 4.31Å; L12-I378 PolarHBondContact N-O 2.79Å; L12-I378 PolarHBondContact O-N 3.47Å; L12-I378 VanDerWaalsContact O-N 3.16Å; F14-I378 HydrophobicContact CB-CD1 3.72Å; F14-I378 HydrophobicContact CB-CG1 3.75Å; F14-I378 HydrophobicContact CD2-CD1 4.29Å; F14-I378 HydrophobicContact CG-CD1 4Å; F14-I378 HydrophobicContact CG-CG1 4.22Å; L36-I378 HydrophobicContact CD2-CG2 4.08Å; V38-I378 HydrophobicContact CG1-CD1 4.44Å; V38-I378 HydrophobicContact CG2-CD1 3.77Å; Y48-I378 HydrophobicContact CE2-CD1 4.17Å; V370-I378 HydrophobicContact CG1-CG2 3.54Å; Y371-I378 CarbonylContact O-C 3.57Å; Y371-I378 WeakPolarHBondContact O-CA 3.31Å; V372-I378 HydrophobicContact CG1-CG1 4.42Å; V372-I378 HydrophobicContact CG2-CG1 4.24Å; V372-I378 HydrophobicContact CG2-CG2 4.47Å; I378-V380 HydrophobicContact CG2-CG2 4.37Å |
| 379 | Y | 96.8 | Very high | 93 | Very high | 15 Ų | 15 | 46.3 Ų | 46.3 | 6% | 0.059 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 122.8 | 171 | -63.8 | -72.3 | 0 | 0 | 0 | 109.3 | R9 V10 A11 E348 V370 Y371 T373 K377 | R9-Y379 VanDerWaalsContact NH1-CE1 3.29Å; V10-Y379 WeakPolarHBondContact O-CA 3.49Å; A11-Y379 HydrophobicContact CB-CD1 3.93Å; A11-Y379 HydrophobicContact CB-CE1 3.83Å; E348-Y379 VanDerWaalsContact OE1-CE2 3.23Å; E348-Y379 WeakPolarHBondContact OE1-CE2 3.38Å; E348-Y379 PolarHBondContact OE1-OH 2.88Å; V370-Y379 WeakPolarHBondContact CA-O 3.22Å; Y371-Y379 PolarHBondContact N-O 2.75Å; Y371-Y379 PolarHBondContact O-N 3.08Å; T373-Y379 HydrophobicContact CG2-CD2 3.64Å; T373-Y379 HydrophobicContact CG2-CE2 3.65Å; K377-Y379 HydrophobicContact CB-CE2 4.35Å |
| 380 | V | 97.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 108.7 | 171.3 | -178.2 | 0 | 0 | 0 | 0 | 107.1 | R9 V10 L12 L36 Y358 C368 V370 I378 | R9-V380 CarbonylContact C-O 3.39Å; R9-V380 WeakPolarHBondContact CA-O 3.29Å; V10-V380 PolarHBondContact N-O 2.86Å; V10-V380 PolarHBondContact O-N 2.97Å; L12-V380 HydrophobicContact CD1-CG2 3.71Å; L12-V380 HydrophobicContact CG-CG2 4.27Å; L36-V380 HydrophobicContact CD2-CG2 4.2Å; Y358-V380 HydrophobicContact CD1-CG1 3.76Å; Y358-V380 HydrophobicContact CE1-CG1 4.05Å; C368-V380 HydrophobicContact CB-CG1 4.38Å; V370-V380 HydrophobicContact CG1-CG2 4.23Å; V370-V380 HydrophobicContact CG2-CG1 4.4Å; V370-V380 HydrophobicContact CG2-CG2 4.29Å; I378-V380 HydrophobicContact CG2-CG2 4.37Å |
| 381 | Y | 96.8 | Very high | 91.3 | Very high | 16 Ų | 16 | 54.7 Ų | 54.7 | 6% | 0.063 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 113.4 | 165.6 | -69.4 | -96 | 0 | 0 | 0 | 107 | Q8 R9 F344 V346 C368 L369 Y371 V384 | Q8-Y381 WeakPolarHBondContact O-CA 3.46Å; R9-Y381 HydrophobicContact CB-CD1 3.77Å; R9-Y381 HydrophobicContact CB-CE1 3.84Å; R9-Y381 HydrophobicContact CB-CG 4.17Å; R9-Y381 HydrophobicContact CG-CE1 4.34Å; F344-Y381 HydrophobicContact CE1-CD1 4.27Å; F344-Y381 HydrophobicContact CE1-CD2 4.16Å; F344-Y381 HydrophobicContact CE1-CE1 4.2Å; F344-Y381 HydrophobicContact CE1-CE2 4.09Å; F344-Y381 HydrophobicContact CE1-CG 4.24Å; F344-Y381 HydrophobicContact CE2-CE1 4.42Å; F344-Y381 AromaticContact CZ-CD1 3.85Å; F344-Y381 HydrophobicContact CZ-CD1 3.85Å; F344-Y381 HydrophobicContact CZ-CD2 4.39Å; F344-Y381 AromaticContact CZ-CE1 3.49Å; F344-Y381 HydrophobicContact CZ-CE1 3.49Å; F344-Y381 VanDerWaalsContact CZ-CE1 3.49Å; F344-Y381 HydrophobicContact CZ-CE2 4.08Å; F344-Y381 HydrophobicContact CZ-CG 4.27Å; F344-Y381 AromaticContact CZ-CZ 3.61Å; V346-Y381 HydrophobicContact CG2-CE2 3.94Å; C368-Y381 VanDerWaalsContact CA-O 3.23Å; C368-Y381 WeakPolarHBondContact CA-O 3.46Å; C368-Y381 WeakPolarHBondContact CB-O 3.41Å; L369-Y381 PolarHBondContact N-O 2.87Å; L369-Y381 PolarHBondContact O-N 3.26Å; Y371-Y381 AromaticContact CD2-CD2 3.62Å; Y371-Y381 HydrophobicContact CD2-CD2 3.62Å; Y371-Y381 AromaticContact CD2-CE2 3.84Å; Y371-Y381 HydrophobicContact CD2-CE2 3.84Å; Y371-Y381 AromaticContact CE2-CD2 3.63Å; Y371-Y381 HydrophobicContact CE2-CD2 3.63Å; Y371-Y381 HydrophobicContact CE2-CE2 4.01Å; Y381-V384 WeakPolarHBondContact O-CG2 3.42Å |
| 382 | W | 93.1 | Very high | 90.2 | Very high | 31 Ų | 31 | 57.3 Ų | 57.3 | 12% | 0.117 | 28% | 0.275 | C | S | . | . | trans | -104 | 156.8 | -178.1 | 60.9 | -79.7 | 0 | 0 | 0 | 109.9 | Q8 C360 K361 C368 | Q8-W382 HydrophobicContact CB-CD2 4.12Å; Q8-W382 HydrophobicContact CB-CG 4.42Å; Q8-W382 HydrophobicContact CB-CZ2 3.92Å; Q8-W382 WeakPolarHBondContact CB-O 3.46Å; Q8-W382 HydrophobicContact CG-CH2 4.26Å; Q8-W382 HydrophobicContact CG-CZ2 4.02Å; Q8-W382 PolarHBondContact O-N 3.21Å; C360-W382 HydrophobicContact CB-CB 3.71Å; C360-W382 HydrophobicContact CB-CD2 4.4Å; C360-W382 HydrophobicContact CB-CG 3.95Å; K361-W382 HydrophobicContact CB-CE3 4.31Å; K361-W382 HydrophobicContact CB-CZ3 4.11Å; K361-W382 HydrophobicContact CD-CH2 3.7Å; K361-W382 HydrophobicContact CD-CZ2 3.73Å; K361-W382 HydrophobicContact CD-CZ3 4.1Å; K361-W382 HydrophobicContact CG-CE3 4.41Å; K361-W382 HydrophobicContact CG-CH2 4.39Å; K361-W382 HydrophobicContact CG-CZ2 4.49Å; K361-W382 HydrophobicContact CG-CZ3 4.32Å; C368-W382 VanDerWaalsContact SG-CA 3.6Å | ||
| 383 | E | 90.6 | Very high | 89.4 | Confident | 42 Ų | 42 | 61.1 Ų | 61.1 | 20% | 0.196 | 30% | 0.295 | C | S | . | . | trans | 51.9 | 52.5 | -168.2 | -62.9 | -176.3 | 167.6 | 0 | 0 | 113.6 | Q8 R364 P367 Q385 | Q8-E383 VanDerWaalsContact CD-OE2 3.3Å; Q8-E383 PolarHBondContact NE2-OE2 2.85Å; Q8-E383 VanDerWaalsContact OE1-CB 3.29Å; Q8-E383 VanDerWaalsContact OE1-CD 3.3Å; Q8-E383 PolarHBondContact OE1-OE2 2.92Å; R364-E383 IonicContact CZ-OE1 2.59Å; R364-E383 IonicContact NH2-OE1 3.09Å; R364-E383 PolarHBondContact NH2-OE1 2.8Å; P367-E383 PolarHBondContact O-N 2.89Å; E383-Q385 PolarHBondContact O-N 2.86Å | ||
| 384 | V | 93 | Very high | 88.8 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | trans | -73.7 | 81.9 | 172.1 | 178.8 | 0 | 0 | 0 | 0 | 108.1 | Y6 V315 P367 L369 Y381 | Y6-V384 HydrophobicContact CD1-CG1 4.5Å; Y6-V384 HydrophobicContact CD2-CG1 4.4Å; Y6-V384 HydrophobicContact CE1-CB 4.41Å; Y6-V384 HydrophobicContact CE1-CG1 3.89Å; Y6-V384 HydrophobicContact CE2-CG1 3.76Å; Y6-V384 VanDerWaalsContact CZ-CG1 3.47Å; V315-V384 HydrophobicContact CG1-CG1 4.04Å; P367-V384 PolarHBondContact O-N 2.83Å; L369-V384 HydrophobicContact CB-CG2 4.28Å; L369-V384 HydrophobicContact CD1-CB 4.45Å; L369-V384 HydrophobicContact CD1-CG1 3.65Å; L369-V384 HydrophobicContact CD1-CG2 4Å; L369-V384 HydrophobicContact CG-CB 4.32Å; L369-V384 HydrophobicContact CG-CG1 3.88Å; L369-V384 HydrophobicContact CG-CG2 3.84Å; Y381-V384 WeakPolarHBondContact O-CG2 3.42Å | ||
| 385 | Q | 92.1 | Very high | 88.4 | Confident | 104 Ų | 104 | 60.8 Ų | 60.8 | 49% | 0.486 | 30% | 0.298 | S | S | . | . | trans | -123.7 | 141.7 | -178.3 | -68.3 | -173.9 | -13.7 | 0 | 0 | 111.4 | V315 E383 | V315-Q385 CarbonylContact O-C 3.58Å; V315-Q385 VanDerWaalsContact O-CA 3.24Å; V315-Q385 WeakPolarHBondContact O-CA 3.43Å; E383-Q385 PolarHBondContact O-N 2.86Å | ||
| 386 | L | 90.5 | Very high | 88 | Confident | 14 Ų | 14 | 61 Ų | 61 | 7% | 0.073 | 29% | 0.293 | C | S | . | . | trans | -128 | 127.2 | 175.4 | -63.5 | 177.1 | 0 | 0 | 0 | 107.9 | V4 Y6 V315 T316 V342 R388 M389 | V4-L386 HydrophobicContact CB-CD2 4.45Å; V4-L386 HydrophobicContact CG1-CD2 3.97Å; Y6-L386 HydrophobicContact CE1-CD2 4.15Å; Y6-L386 WeakPolarHBondContact OH-CG 3.23Å; V315-L386 HydrophobicContact CG2-CD1 4.02Å; V315-L386 HydrophobicContact CG2-CG 4.46Å; V315-L386 PolarHBondContact O-N 2.88Å; T316-L386 WeakPolarHBondContact CA-O 3.44Å; V342-L386 HydrophobicContact CB-CD1 4.38Å; V342-L386 HydrophobicContact CG1-CD1 4.02Å; V342-L386 HydrophobicContact CG2-CD1 4.17Å; L386-R388 PolarHBondContact O-N 2.67Å; L386-M389 HydrophobicContact CD1-SD 3.62Å | ||
| 387 | E | 85.9 | Confident | 87.8 | Confident | 196 Ų | 196 | 58.5 Ų | 58.5 | 92% | 0.916 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -56.1 | -38.2 | 173.9 | -64.1 | -179.7 | 172.3 | 0 | 0 | 111.6 | ||
| 388 | R | 84.9 | Confident | 87.3 | Confident | 109 Ų | 109 | 55.9 Ų | 55.9 | 41% | 0.411 | 27% | 0.274 | S | S | . | . | trans | -153.7 | 144.6 | 178.4 | -61 | -173.7 | 174 | -176.2 | -4.6 | 110.9 | R2 L386 | R2-R388 PolarHBondContact NH1-O 2.81Å; L386-R388 PolarHBondContact O-N 2.67Å | ||
| 389 | M | 89.3 | Confident | 86.7 | Confident | 7 Ų | 7 | 60.2 Ų | 60.2 | 3% | 0.034 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -72.8 | -49.3 | 168 | -73.9 | -66 | -75.2 | 0 | 0 | 111.2 | V315 T316 E322 I334 D336 T340 V342 L386 | V315-M389 HydrophobicContact CG2-SD 4.02Å; T316-M389 HydrophobicContact CG2-CG 3.78Å; E322-M389 HydrophobicContact CG-CE 4.17Å; E322-M389 HydrophobicContact CG-CG 4.24Å; E322-M389 HydrophobicContact CG-SD 4.32Å; I334-M389 HydrophobicContact CB-CE 4.26Å; I334-M389 HydrophobicContact CG2-CE 3.8Å; I334-M389 HydrophobicContact CG2-SD 4.13Å; I334-M389 WeakPolarHBondContact O-CE 3.33Å; D336-M389 HydrophobicContact CB-CB 4.33Å; D336-M389 HydrophobicContact CB-CE 4.19Å; D336-M389 HydrophobicContact CB-CG 4.12Å; D336-M389 WeakPolarHBondContact OD2-CB 3.18Å; T340-M389 HydrophobicContact CG2-CB 4.27Å; T340-M389 WeakPolarHBondContact CG2-O 3.35Å; V342-M389 HydrophobicContact CB-CE 4.08Å; V342-M389 HydrophobicContact CB-SD 4.23Å; V342-M389 HydrophobicContact CG2-CE 3.82Å; V342-M389 HydrophobicContact CG2-SD 3.7Å; L386-M389 HydrophobicContact CD1-SD 3.62Å |
| 390 | E | 84.2 | Confident | 85.9 | Confident | 92 Ų | 92 | 63.8 Ų | 63.8 | 43% | 0.43 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -63.5 | 137.4 | -178.5 | -67.4 | -177.8 | -166.7 | 0 | 0 | 112.6 | N338 T340 T392 | N338-E390 PolarHBondContact ND2-OE1 2.78Å; T340-E390 HydrophobicContact CG2-CG 4.34Å; E390-T392 PolarHBondContact O-N 2.84Å |
| 391 | S | 77.2 | Confident | 85.4 | Confident | 84 Ų | 84 | 70 Ų | 70 | 59% | 0.587 | 35% | 0.345 | S | S | * | . | trans | -74.7 | 110.5 | 169.3 | -58 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 392 | T | 74 | Confident | 84.7 | Confident | 54 Ų | 54 | 74.9 Ų | 74.9 | 33% | 0.331 | 38% | 0.379 | S | S | . | . | trans | -100 | 160.2 | 174.8 | 52.8 | 0 | 0 | 0 | 0 | 110.2 | E390 | E390-T392 PolarHBondContact O-N 2.84Š| ||
| 393 | N | 78.6 | Confident | 84.5 | Confident | 80 Ų | 80 | 79.8 Ų | 79.8 | 43% | 0.428 | 40% | 0.403 | S | S | . | . | trans | -114.1 | 166.3 | 168.4 | 62.9 | 31.8 | 0 | 0 | 0 | 108.2 | L395 K396 L397 | N393-L395 PolarHBondContact O-N 2.82Å; N393-L395 WeakPolarHBondContact OD1-CB 3.49Å; N393-L395 PolarHBondContact OD1-N 2.93Å; N393-K396 PolarHBondContact O-N 2.85Å; N393-K396 WeakPolarHBondContact OD1-CB 3.33Å; N393-K396 WeakPolarHBondContact OD1-CG 3.42Å; N393-K396 PolarHBondContact OD1-N 2.51Å; N393-L397 PolarHBondContact O-N 2.71Å | ||
| 394 | L | 82.5 | Confident | 84.3 | Confident | 77 Ų | 77 | 78.6 Ų | 78.6 | 40% | 0.403 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -56.2 | -39 | -178.3 | -179.4 | 65.4 | 0 | 0 | 0 | 112.3 | L397 L398 L425 L429 | L394-L397 WeakPolarHBondContact O-CB 3.36Å; L394-L397 PolarHBondContact O-N 2.93Å; L394-L398 HydrophobicContact CD1-CD1 4.04Å; L394-L398 HydrophobicContact CD1-CG 4.04Å; L394-L398 HydrophobicContact CD2-CD1 4.29Å; L394-L398 HydrophobicContact CG-CD1 3.74Å; L394-L398 HydrophobicContact CG-CG 4.17Å; L394-L398 WeakPolarHBondContact O-CB 3.42Å; L394-L398 VanDerWaalsContact O-CG 3.25Å; L394-L398 WeakPolarHBondContact O-CG 3.33Å; L394-L398 PolarHBondContact O-N 3.1Å; L394-L425 HydrophobicContact CD2-CD1 4.4Å; L394-L425 HydrophobicContact CD2-CD2 4.48Å; L394-L429 HydrophobicContact CD2-CD1 3.51Å |
| 395 | L | 82.5 | Confident | 83.8 | Confident | 31 Ų | 31 | 82.5 Ų | 82.5 | 16% | 0.162 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -58.5 | -53.1 | 178.7 | -74.6 | 156.4 | 0 | 0 | 0 | 111.3 | N393 L397 L398 E399 T421 L425 | N393-L395 PolarHBondContact O-N 2.82Å; N393-L395 WeakPolarHBondContact OD1-CB 3.49Å; N393-L395 PolarHBondContact OD1-N 2.93Å; L395-L397 VanDerWaalsContact C-N 3.26Å; L395-L397 PolarHBondContact O-N 2.64Å; L395-L398 PolarHBondContact O-N 2.69Å; L395-L398 VanDerWaalsContact O-N 3.08Å; L395-E399 WeakPolarHBondContact O-CG 3.47Å; L395-E399 PolarHBondContact O-N 3.39Å; L395-T421 HydrophobicContact CD2-CG2 3.66Å; L395-L425 HydrophobicContact CD2-CD1 3.62Å; L395-L425 HydrophobicContact CG-CD1 4.13Å |
| 396 | K | 80.9 | Confident | 83.5 | Confident | 113 Ų | 113 | 80.1 Ų | 80.1 | 49% | 0.491 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60.1 | -35.5 | 176.8 | -73.2 | -177.2 | 175.9 | -169.9 | 0 | 112.6 | N393 T400 | N393-K396 PolarHBondContact O-N 2.85Å; N393-K396 WeakPolarHBondContact OD1-CB 3.33Å; N393-K396 WeakPolarHBondContact OD1-CG 3.42Å; N393-K396 PolarHBondContact OD1-N 2.51Å; K396-T400 WeakPolarHBondContact O-CG2 3.3Å; K396-T400 PolarHBondContact O-N 3.1Å |
| 397 | L | 83.3 | Confident | 83.3 | Confident | 64 Ų | 64 | 83.4 Ų | 83.4 | 34% | 0.335 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -67.3 | -42 | 175.5 | -79.8 | 166.3 | 0 | 0 | 0 | 111.5 | N393 L394 L395 T400 | N393-L397 PolarHBondContact O-N 2.71Å; L394-L397 WeakPolarHBondContact O-CB 3.36Å; L394-L397 PolarHBondContact O-N 2.93Å; L395-L397 VanDerWaalsContact C-N 3.26Å; L395-L397 PolarHBondContact O-N 2.64Å; L397-T400 PolarHBondContact O-N 3.2Å; L397-T400 PolarHBondContact O-OG1 3.36Å |
| 398 | L | 84 | Confident | 83.4 | Confident | 44 Ų | 44 | 74.3 Ų | 74.3 | 23% | 0.23 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -71.2 | -38.1 | 179.3 | -70 | 173.1 | 0 | 0 | 0 | 112 | L394 L395 T400 K401 Y404 L425 | L394-L398 HydrophobicContact CD1-CD1 4.04Å; L394-L398 HydrophobicContact CD1-CG 4.04Å; L394-L398 HydrophobicContact CD2-CD1 4.29Å; L394-L398 HydrophobicContact CG-CD1 3.74Å; L394-L398 HydrophobicContact CG-CG 4.17Å; L394-L398 WeakPolarHBondContact O-CB 3.42Å; L394-L398 VanDerWaalsContact O-CG 3.25Å; L394-L398 WeakPolarHBondContact O-CG 3.33Å; L394-L398 PolarHBondContact O-N 3.1Å; L395-L398 PolarHBondContact O-N 2.69Å; L395-L398 VanDerWaalsContact O-N 3.08Å; L398-T400 PolarHBondContact O-N 2.81Å; L398-T400 VanDerWaalsContact O-N 3.16Å; L398-K401 WeakPolarHBondContact O-CA 3.49Å; L398-K401 VanDerWaalsContact O-CB 3.32Å; L398-K401 WeakPolarHBondContact O-CB 3.35Å; L398-K401 PolarHBondContact O-N 2.73Å; L398-Y404 HydrophobicContact CB-CD1 4.21Å; L398-Y404 HydrophobicContact CB-CD2 3.54Å; L398-Y404 HydrophobicContact CB-CE1 4.16Å; L398-Y404 HydrophobicContact CB-CE2 3.48Å; L398-Y404 VanDerWaalsContact CB-CE2 3.48Å; L398-Y404 HydrophobicContact CB-CG 3.86Å; L398-Y404 HydrophobicContact CD1-CD2 4.29Å; L398-Y404 HydrophobicContact CD1-CE2 3.76Å; L398-Y404 HydrophobicContact CD2-CD2 4.46Å; L398-Y404 HydrophobicContact CG-CD2 4.32Å; L398-Y404 HydrophobicContact CG-CE2 4.18Å; L398-Y404 WeakPolarHBondContact O-CB 3.08Å; L398-Y404 WeakPolarHBondContact O-CD1 3.44Å; L398-Y404 VanDerWaalsContact O-CG 3.29Å; L398-L425 HydrophobicContact CD1-CD1 3.77Å; L398-L425 HydrophobicContact CD1-CD2 3.38Å; L398-L425 HydrophobicContact CD1-CG 4.24Å |
| 399 | E | 82.9 | Confident | 83.3 | Confident | 91 Ų | 91 | 75.7 Ų | 75.7 | 43% | 0.425 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -55.4 | -31.6 | 172.8 | -75.2 | 165.5 | -168 | 0 | 0 | 112.5 | L395 K401 Y404 | L395-E399 WeakPolarHBondContact O-CG 3.47Å; L395-E399 PolarHBondContact O-N 3.39Å; E399-K401 VanDerWaalsContact C-N 3.25Å; E399-K401 PolarHBondContact O-N 3.46Å; E399-Y404 HydrophobicContact CG-CD1 4.32Å; E399-Y404 HydrophobicContact CG-CE1 3.87Å |
| 400 | T | 80.4 | Confident | 83.2 | Confident | 90 Ų | 90 | 82.8 Ų | 82.8 | 55% | 0.552 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -9 | 175.2 | 64.1 | 0 | 0 | 0 | 0 | 114.2 | K396 L397 L398 | K396-T400 WeakPolarHBondContact O-CG2 3.3Å; K396-T400 PolarHBondContact O-N 3.1Å; L397-T400 PolarHBondContact O-N 3.2Å; L397-T400 PolarHBondContact O-OG1 3.36Å; L398-T400 PolarHBondContact O-N 2.81Å; L398-T400 VanDerWaalsContact O-N 3.16Å |
| 401 | K | 87.1 | Confident | 83.3 | Confident | 130 Ų | 130 | 82.9 Ų | 82.9 | 57% | 0.565 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -89.2 | 125.1 | 176.4 | -63.6 | -68.1 | -175.4 | 176.6 | 0 | 109.6 | L398 E399 E403 Y404 | L398-K401 WeakPolarHBondContact O-CA 3.49Å; L398-K401 VanDerWaalsContact O-CB 3.32Å; L398-K401 WeakPolarHBondContact O-CB 3.35Å; L398-K401 PolarHBondContact O-N 2.73Å; E399-K401 VanDerWaalsContact C-N 3.25Å; E399-K401 PolarHBondContact O-N 3.46Å; K401-E403 PolarHBondContact O-N 2.65Å; K401-E403 VanDerWaalsContact O-N 3.15Å; K401-Y404 VanDerWaalsContact O-CB 3.27Å; K401-Y404 WeakPolarHBondContact O-CB 3.42Å; K401-Y404 PolarHBondContact O-N 2.81Å |
| 402 | P | 82.7 | Confident | 83.6 | Confident | 119 Ų | 119 | 82.2 Ų | 82.2 | 77% | 0.773 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -61.9 | -28.9 | -175.4 | 24.2 | -33.4 | 0 | 0 | 0 | 113 | Y404 | P402-Y404 VanDerWaalsContact C-N 3.33Å |
| 403 | E | 87.8 | Confident | 84.1 | Confident | 134 Ų | 134 | 80.4 Ų | 80.4 | 63% | 0.626 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -79.7 | -13.4 | -179.7 | -63.5 | 172.4 | -172.9 | 0 | 0 | 113.6 | K401 H405 S406 L407 | K401-E403 PolarHBondContact O-N 2.65Å; K401-E403 VanDerWaalsContact O-N 3.15Å; E403-H405 PolarHBondContact O-N 3.27Å; E403-S406 WeakPolarHBondContact CA-OG 3.37Å; E403-S406 PolarHBondContact O-N 3.48Å; E403-S406 PolarHBondContact O-OG 3.14Å; E403-L407 HydrophobicContact CB-CD1 4.03Å; E403-L407 WeakPolarHBondContact O-CB 3.38Å; E403-L407 WeakPolarHBondContact O-CD1 3.37Å; E403-L407 WeakPolarHBondContact O-CG 3.29Å; E403-L407 PolarHBondContact O-N 3.43Å |
| 404 | Y | 86.3 | Confident | 84.1 | Confident | 17 Ų | 17 | 81.1 Ų | 81.1 | 7% | 0.067 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -63.7 | -46.1 | -173.3 | 174.5 | -118.2 | 0 | 0 | 0 | 112.4 | L398 E399 K401 P402 S406 L407 L408 T421 | L398-Y404 HydrophobicContact CB-CD1 4.21Å; L398-Y404 HydrophobicContact CB-CD2 3.54Å; L398-Y404 HydrophobicContact CB-CE1 4.16Å; L398-Y404 HydrophobicContact CB-CE2 3.48Å; L398-Y404 VanDerWaalsContact CB-CE2 3.48Å; L398-Y404 HydrophobicContact CB-CG 3.86Å; L398-Y404 HydrophobicContact CD1-CD2 4.29Å; L398-Y404 HydrophobicContact CD1-CE2 3.76Å; L398-Y404 HydrophobicContact CD2-CD2 4.46Å; L398-Y404 HydrophobicContact CG-CD2 4.32Å; L398-Y404 HydrophobicContact CG-CE2 4.18Å; L398-Y404 WeakPolarHBondContact O-CB 3.08Å; L398-Y404 WeakPolarHBondContact O-CD1 3.44Å; L398-Y404 VanDerWaalsContact O-CG 3.29Å; E399-Y404 HydrophobicContact CG-CD1 4.32Å; E399-Y404 HydrophobicContact CG-CE1 3.87Å; K401-Y404 VanDerWaalsContact O-CB 3.27Å; K401-Y404 WeakPolarHBondContact O-CB 3.42Å; K401-Y404 PolarHBondContact O-N 2.81Å; P402-Y404 VanDerWaalsContact C-N 3.33Å; Y404-S406 VanDerWaalsContact C-N 3.34Å; Y404-S406 PolarHBondContact O-N 2.78Å; Y404-L407 PolarHBondContact O-N 3.23Å; Y404-L408 HydrophobicContact CD1-CD1 4.16Å; Y404-L408 HydrophobicContact CD2-CD1 4.2Å; Y404-L408 HydrophobicContact CD2-CG 4.23Å; Y404-L408 HydrophobicContact CE1-CD1 3.65Å; Y404-L408 HydrophobicContact CE2-CD1 3.7Å; Y404-L408 HydrophobicContact CE2-CD2 4.28Å; Y404-L408 HydrophobicContact CE2-CG 3.95Å; Y404-L408 HydrophobicContact CG-CD1 4.45Å; Y404-L408 VanDerWaalsContact CZ-CD1 3.44Å; Y404-L408 WeakPolarHBondContact O-CG 3.16Å; Y404-L408 PolarHBondContact O-N 3.12Å; Y404-T421 WeakPolarHBondContact OH-CG2 3.42Å |
| 405 | H | 83.4 | Confident | 83.8 | Confident | 83 Ų | 83 | 78.5 Ų | 78.5 | 38% | 0.384 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63.9 | -39.3 | 177.9 | -77.2 | -83.5 | 0 | 0 | 0 | 112 | E403 Q409 P415 | E403-H405 PolarHBondContact O-N 3.27Å; H405-Q409 WeakPolarHBondContact O-CG 3.5Å; H405-Q409 PolarHBondContact O-N 3.41Å; H405-P415 VanDerWaalsContact ND1-CB 3.35Å; H405-P415 WeakPolarHBondContact ND1-CB 3.4Å |
| 406 | S | 85.1 | Confident | 83.7 | Confident | 54 Ų | 54 | 83.8 Ų | 83.8 | 38% | 0.378 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -67.1 | -42 | 176.3 | 46.8 | 0 | 0 | 0 | 0 | 112.2 | E403 Y404 Q409 E410 | E403-S406 WeakPolarHBondContact CA-OG 3.37Å; E403-S406 PolarHBondContact O-N 3.48Å; E403-S406 PolarHBondContact O-OG 3.14Å; Y404-S406 VanDerWaalsContact C-N 3.34Å; Y404-S406 PolarHBondContact O-N 2.78Å; S406-Q409 PolarHBondContact O-N 3.3Å; S406-E410 WeakPolarHBondContact O-CG 3.25Å; S406-E410 PolarHBondContact O-N 2.98Å |
| 407 | L | 87.3 | Confident | 83.9 | Confident | 82 Ų | 82 | 81.4 Ų | 81.4 | 43% | 0.429 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65.8 | -39.1 | 179.2 | -80 | 158.2 | 0 | 0 | 0 | 112.3 | E403 Y404 E410 L411 | E403-L407 HydrophobicContact CB-CD1 4.03Å; E403-L407 WeakPolarHBondContact O-CB 3.38Å; E403-L407 WeakPolarHBondContact O-CD1 3.37Å; E403-L407 WeakPolarHBondContact O-CG 3.29Å; E403-L407 PolarHBondContact O-N 3.43Å; Y404-L407 PolarHBondContact O-N 3.23Å; L407-E410 PolarHBondContact O-N 2.88Å; L407-L411 WeakPolarHBondContact O-CB 3.46Å; L407-L411 VanDerWaalsContact O-CG 3.29Å; L407-L411 WeakPolarHBondContact O-CG 3.45Å; L407-L411 PolarHBondContact O-N 3.02Å; L407-L411 VanDerWaalsContact O-N 3.09Å |
| 408 | L | 86.6 | Confident | 83.9 | Confident | 6 Ų | 6 | 82.7 Ų | 82.7 | 3% | 0.031 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -63.8 | -41.8 | 174.7 | -74.3 | 179 | 0 | 0 | 0 | 111.8 | Y404 L411 G412 V413 P415 T421 L424 | Y404-L408 HydrophobicContact CD1-CD1 4.16Å; Y404-L408 HydrophobicContact CD2-CD1 4.2Å; Y404-L408 HydrophobicContact CD2-CG 4.23Å; Y404-L408 HydrophobicContact CE1-CD1 3.65Å; Y404-L408 HydrophobicContact CE2-CD1 3.7Å; Y404-L408 HydrophobicContact CE2-CD2 4.28Å; Y404-L408 HydrophobicContact CE2-CG 3.95Å; Y404-L408 HydrophobicContact CG-CD1 4.45Å; Y404-L408 VanDerWaalsContact CZ-CD1 3.44Å; Y404-L408 WeakPolarHBondContact O-CG 3.16Å; Y404-L408 PolarHBondContact O-N 3.12Å; L408-L411 CarbonylContact O-C 3.51Å; L408-L411 PolarHBondContact O-N 2.93Å; L408-G412 PolarHBondContact O-N 3.27Å; L408-G412 VanDerWaalsContact O-N 3.16Å; L408-V413 CarbonylContact C-O 3.04Å; L408-V413 HydrophobicContact CD2-CB 4.3Å; L408-V413 HydrophobicContact CD2-CG1 4.27Å; L408-V413 PolarHBondContact O-N 3.36Å; L408-V413 VanDerWaalsContact O-O 3.12Å; L408-P415 HydrophobicContact CB-CG 4.35Å; L408-P415 HydrophobicContact CD1-CB 4.09Å; L408-P415 HydrophobicContact CD1-CG 4.36Å; L408-T421 HydrophobicContact CD1-CG2 4.05Å; L408-T421 HydrophobicContact CD2-CG2 4.13Å; L408-L424 HydrophobicContact CD2-CD2 3.85Å |
| 409 | Q | 84.3 | Confident | 84 | Confident | 137 Ų | 137 | 85.2 Ų | 85.2 | 64% | 0.64 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -64.6 | -41.3 | 176.1 | -73.6 | 177.1 | 2.5 | 0 | 0 | 112.5 | H405 S406 L411 G412 | H405-Q409 WeakPolarHBondContact O-CG 3.5Å; H405-Q409 PolarHBondContact O-N 3.41Å; S406-Q409 PolarHBondContact O-N 3.3Å; Q409-L411 PolarHBondContact O-N 2.9Å; Q409-G412 PolarHBondContact O-N 2.85Å |
| 410 | E | 86.6 | Confident | 84.1 | Confident | 156 Ų | 156 | 83.6 Ų | 83.6 | 73% | 0.729 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -60.9 | -34.1 | 174.2 | -75.9 | 179.6 | -174.9 | 0 | 0 | 112.4 | S406 L407 G412 | S406-E410 WeakPolarHBondContact O-CG 3.25Å; S406-E410 PolarHBondContact O-N 2.98Å; L407-E410 PolarHBondContact O-N 2.88Å; E410-G412 VanDerWaalsContact C-N 3.25Å; E410-G412 PolarHBondContact O-N 3.25Å |
| 411 | L | 85.4 | Confident | 84.3 | Confident | 94 Ų | 94 | 79.3 Ų | 79.3 | 49% | 0.492 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 1.4 | 175.9 | -66.6 | 171.1 | 0 | 0 | 0 | 113.4 | L407 L408 Q409 V413 L424 | L407-L411 WeakPolarHBondContact O-CB 3.46Å; L407-L411 VanDerWaalsContact O-CG 3.29Å; L407-L411 WeakPolarHBondContact O-CG 3.45Å; L407-L411 PolarHBondContact O-N 3.02Å; L407-L411 VanDerWaalsContact O-N 3.09Å; L408-L411 CarbonylContact O-C 3.51Å; L408-L411 PolarHBondContact O-N 2.93Å; Q409-L411 PolarHBondContact O-N 2.9Å; L411-V413 VanDerWaalsContact C-N 3.31Å; L411-V413 PolarHBondContact O-N 3.36Å; L411-L424 HydrophobicContact CB-CD2 4.39Å; L411-L424 HydrophobicContact CD1-CD2 3.86Å |
| 412 | G | 83.1 | Confident | 84.3 | Confident | 70 Ų | 70 | 81.8 Ų | 81.8 | 72% | 0.722 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.5 | 22.4 | 179 | 0 | 0 | 0 | 0 | 0 | 114.3 | L408 Q409 E410 | L408-G412 PolarHBondContact O-N 3.27Å; L408-G412 VanDerWaalsContact O-N 3.16Å; Q409-G412 PolarHBondContact O-N 2.85Å; E410-G412 VanDerWaalsContact C-N 3.25Å; E410-G412 PolarHBondContact O-N 3.25Å |
| 413 | V | 85.3 | Confident | 84.4 | Confident | 17 Ų | 17 | 79 Ų | 79 | 10% | 0.103 | 43% | 0.428 | C | S | . | . | trans | -105.4 | 129.6 | 178.1 | 177.6 | 0 | 0 | 0 | 0 | 109.8 | L408 L411 P415 V420 L424 | L408-V413 CarbonylContact C-O 3.04Å; L408-V413 HydrophobicContact CD2-CB 4.3Å; L408-V413 HydrophobicContact CD2-CG1 4.27Å; L408-V413 PolarHBondContact O-N 3.36Å; L408-V413 VanDerWaalsContact O-O 3.12Å; L411-V413 VanDerWaalsContact C-N 3.31Å; L411-V413 PolarHBondContact O-N 3.36Å; V413-P415 WeakPolarHBondContact O-CD 3.38Å; V413-V420 HydrophobicContact CB-CG1 4.42Å; V413-V420 HydrophobicContact CG1-CB 4.28Å; V413-V420 HydrophobicContact CG1-CG1 3.73Å; V413-V420 HydrophobicContact CG2-CG1 3.9Å; V413-L424 HydrophobicContact CB-CD2 4.48Å; V413-L424 HydrophobicContact CG2-CD2 3.91Å | ||
| 414 | D | 79.6 | Confident | 84.3 | Confident | 95 Ų | 95 | 73.8 Ų | 73.8 | 51% | 0.508 | 40% | 0.404 | S | S | . | . | trans | -69.4 | 122.5 | 172.1 | -171.2 | -14.7 | 0 | 0 | 0 | 109.6 | D416 D417 | D414-D416 PolarHBondContact O-N 2.84Å; D414-D416 VanDerWaalsContact O-N 3.16Å; D414-D416 PolarHBondContact OD1-N 2.83Å; D414-D416 VanDerWaalsContact OD1-N 3.07Å; D414-D417 HydrophobicContact CB-CB 4.12Å; D414-D417 PolarHBondContact O-N 3.45Å | ||
| 415 | P | 74.8 | Confident | 84.4 | Confident | 21 Ų | 21 | 74.4 Ų | 74.4 | 14% | 0.136 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -26.5 | 177.5 | -22.8 | 32.5 | 0 | 0 | 0 | 114.5 | H405 L408 V413 D417 | H405-P415 VanDerWaalsContact ND1-CB 3.35Å; H405-P415 WeakPolarHBondContact ND1-CB 3.4Å; L408-P415 HydrophobicContact CB-CG 4.35Å; L408-P415 HydrophobicContact CD1-CB 4.09Å; L408-P415 HydrophobicContact CD1-CG 4.36Å; V413-P415 WeakPolarHBondContact O-CD 3.38Å; P415-D417 VanDerWaalsContact C-N 3.34Å |
| 416 | D | 79.9 | Confident | 84.5 | Confident | 142 Ų | 142 | 75.4 Ų | 75.4 | 76% | 0.759 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -12 | 179.4 | -66.1 | -32.5 | 0 | 0 | 0 | 112.4 | D414 L418 | D414-D416 PolarHBondContact O-N 2.84Å; D414-D416 VanDerWaalsContact O-N 3.16Å; D414-D416 PolarHBondContact OD1-N 2.83Å; D414-D416 VanDerWaalsContact OD1-N 3.07Å; D416-L418 PolarHBondContact O-N 2.99Å; D416-L418 VanDerWaalsContact O-N 3.14Å |
| 417 | D | 85.5 | Confident | 84.6 | Confident | 63 Ų | 63 | 74.2 Ų | 74.2 | 34% | 0.337 | 40% | 0.401 | S | S | . | . | trans | -84.9 | 82.1 | 174.1 | -166.4 | -26.9 | 0 | 0 | 0 | 111 | D414 P415 P419 V420 T421 | D414-D417 HydrophobicContact CB-CB 4.12Å; D414-D417 PolarHBondContact O-N 3.45Å; P415-D417 VanDerWaalsContact C-N 3.34Å; D417-P419 WeakPolarHBondContact OD1-CD 3.22Å; D417-V420 HydrophobicContact CB-CB 4.31Å; D417-V420 HydrophobicContact CB-CG2 4.48Å; D417-V420 VanDerWaalsContact CG-CG2 3.45Å; D417-V420 PolarHBondContact O-N 2.82Å; D417-V420 WeakPolarHBondContact OD1-CG2 3.3Å; D417-V420 PolarHBondContact OD1-N 3.16Å; D417-V420 VanDerWaalsContact OD2-CG2 3.26Å; D417-V420 WeakPolarHBondContact OD2-CG2 3.39Å; D417-T421 VanDerWaalsContact O-CB 3.28Å; D417-T421 WeakPolarHBondContact O-CB 3.41Å; D417-T421 PolarHBondContact O-N 2.9Å; D417-T421 PolarHBondContact O-OG1 2.84Å | ||
| 418 | L | 83 | Confident | 84.6 | Confident | 91 Ų | 91 | 74.3 Ų | 74.3 | 48% | 0.476 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -56.7 | -42.7 | -179.4 | -69.5 | 172.1 | 0 | 0 | 0 | 114.3 | D416 R422 | D416-L418 PolarHBondContact O-N 2.99Å; D416-L418 VanDerWaalsContact O-N 3.14Å; L418-R422 VanDerWaalsContact O-CB 3.22Å; L418-R422 WeakPolarHBondContact O-CB 3.31Å; L418-R422 PolarHBondContact O-N 3.26Å |
| 419 | P | 86.3 | Confident | 84.6 | Confident | 97 Ų | 97 | 79 Ų | 79 | 63% | 0.63 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -58 | -48.6 | 174.6 | -26.3 | 32.5 | 0 | 0 | 0 | 114 | D417 R422 A423 | D417-P419 WeakPolarHBondContact OD1-CD 3.22Å; P419-R422 PolarHBondContact O-N 3.47Å; P419-A423 PolarHBondContact O-N 3.41Å |
| 420 | V | 85.5 | Confident | 84.7 | Confident | 57 Ų | 57 | 80 Ų | 80 | 35% | 0.345 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -68 | -43.2 | -178.8 | 177.1 | 0 | 0 | 0 | 0 | 110.2 | V413 D417 R422 A423 L424 | V413-V420 HydrophobicContact CB-CG1 4.42Å; V413-V420 HydrophobicContact CG1-CB 4.28Å; V413-V420 HydrophobicContact CG1-CG1 3.73Å; V413-V420 HydrophobicContact CG2-CG1 3.9Å; D417-V420 HydrophobicContact CB-CB 4.31Å; D417-V420 HydrophobicContact CB-CG2 4.48Å; D417-V420 VanDerWaalsContact CG-CG2 3.45Å; D417-V420 PolarHBondContact O-N 2.82Å; D417-V420 WeakPolarHBondContact OD1-CG2 3.3Å; D417-V420 PolarHBondContact OD1-N 3.16Å; D417-V420 VanDerWaalsContact OD2-CG2 3.26Å; D417-V420 WeakPolarHBondContact OD2-CG2 3.39Å; V420-R422 VanDerWaalsContact C-N 3.32Å; V420-R422 PolarHBondContact O-N 3.36Å; V420-A423 PolarHBondContact O-N 3.28Å; V420-L424 WeakPolarHBondContact O-CB 3.44Å; V420-L424 PolarHBondContact O-N 3.15Å |
| 421 | T | 85.4 | Confident | 84.8 | Confident | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -59.2 | -42.9 | 175.6 | -59.9 | 0 | 0 | 0 | 0 | 111.6 | L395 Y404 L408 D417 L424 L425 | L395-T421 HydrophobicContact CD2-CG2 3.66Å; Y404-T421 WeakPolarHBondContact OH-CG2 3.42Å; L408-T421 HydrophobicContact CD1-CG2 4.05Å; L408-T421 HydrophobicContact CD2-CG2 4.13Å; D417-T421 VanDerWaalsContact O-CB 3.28Å; D417-T421 WeakPolarHBondContact O-CB 3.41Å; D417-T421 PolarHBondContact O-N 2.9Å; D417-T421 PolarHBondContact O-OG1 2.84Å; T421-L424 PolarHBondContact O-N 2.89Å; T421-L425 HydrophobicContact CG2-CD1 4.2Å; T421-L425 WeakPolarHBondContact O-CB 3.35Å; T421-L425 VanDerWaalsContact O-CG 3.26Å; T421-L425 WeakPolarHBondContact O-CG 3.4Å; T421-L425 PolarHBondContact O-N 2.85Å |
| 422 | R | 85.8 | Confident | 84.5 | Confident | 183 Ų | 183 | 76.8 Ų | 76.8 | 69% | 0.691 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -66.5 | -38.9 | 176.5 | -174 | 177.4 | -180 | 170.6 | 0.3 | 112.4 | L418 P419 V420 H426 | L418-R422 VanDerWaalsContact O-CB 3.22Å; L418-R422 WeakPolarHBondContact O-CB 3.31Å; L418-R422 PolarHBondContact O-N 3.26Å; P419-R422 PolarHBondContact O-N 3.47Å; V420-R422 VanDerWaalsContact C-N 3.32Å; V420-R422 PolarHBondContact O-N 3.36Å; R422-H426 VanDerWaalsContact O-CB 3.3Å; R422-H426 WeakPolarHBondContact O-CB 3.44Å; R422-H426 PolarHBondContact O-N 3.4Å |
| 423 | A | 85.3 | Confident | 84.4 | Confident | 61 Ų | 61 | 81.1 Ų | 81.1 | 50% | 0.504 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.3 | -44.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | P419 V420 H426 Q427 | P419-A423 PolarHBondContact O-N 3.41Å; V420-A423 PolarHBondContact O-N 3.28Å; A423-H426 PolarHBondContact O-N 2.92Å; A423-Q427 WeakPolarHBondContact O-CB 3.36Å; A423-Q427 PolarHBondContact O-N 3.15Å |
| 424 | L | 86.6 | Confident | 83.6 | Confident | 24 Ų | 24 | 85.6 Ų | 85.6 | 13% | 0.126 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -59.4 | -50.8 | 174.1 | 179.4 | 67.6 | 0 | 0 | 0 | 110.9 | L408 L411 V413 V420 T421 H426 Q427 T428 | L408-L424 HydrophobicContact CD2-CD2 3.85Å; L411-L424 HydrophobicContact CB-CD2 4.39Å; L411-L424 HydrophobicContact CD1-CD2 3.86Å; V413-L424 HydrophobicContact CB-CD2 4.48Å; V413-L424 HydrophobicContact CG2-CD2 3.91Å; V420-L424 WeakPolarHBondContact O-CB 3.44Å; V420-L424 PolarHBondContact O-N 3.15Å; T421-L424 PolarHBondContact O-N 2.89Å; L424-H426 VanDerWaalsContact C-N 3.3Å; L424-H426 PolarHBondContact O-N 3.24Å; L424-Q427 PolarHBondContact O-N 2.7Å; L424-Q427 VanDerWaalsContact O-N 3.15Å; L424-T428 PolarHBondContact O-N 3.1Å; L424-T428 PolarHBondContact O-OG1 2.77Å |
| 425 | L | 87.1 | Confident | 82.9 | Confident | 29 Ų | 29 | 86.2 Ų | 86.2 | 15% | 0.152 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -60.2 | -39.9 | 178.1 | -71.5 | 172.6 | 0 | 0 | 0 | 112.5 | L394 L395 L398 T421 T428 L429 | L394-L425 HydrophobicContact CD2-CD1 4.4Å; L394-L425 HydrophobicContact CD2-CD2 4.48Å; L395-L425 HydrophobicContact CD2-CD1 3.62Å; L395-L425 HydrophobicContact CG-CD1 4.13Å; L398-L425 HydrophobicContact CD1-CD1 3.77Å; L398-L425 HydrophobicContact CD1-CD2 3.38Å; L398-L425 HydrophobicContact CD1-CG 4.24Å; T421-L425 HydrophobicContact CG2-CD1 4.2Å; T421-L425 WeakPolarHBondContact O-CB 3.35Å; T421-L425 VanDerWaalsContact O-CG 3.26Å; T421-L425 WeakPolarHBondContact O-CG 3.4Å; T421-L425 PolarHBondContact O-N 2.85Å; L425-T428 PolarHBondContact O-N 2.82Å; L425-L429 WeakPolarHBondContact O-CB 3.5Å; L425-L429 VanDerWaalsContact O-CG 3.28Å; L425-L429 WeakPolarHBondContact O-CG 3.46Å; L425-L429 PolarHBondContact O-N 3.26Å |
| 426 | H | 86.5 | Confident | 82.1 | Confident | 104 Ų | 104 | 89 Ų | 89 | 48% | 0.481 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.7 | -44.4 | 175.4 | -176.7 | -79.5 | 0 | 0 | 0 | 111.5 | R422 A423 L424 Y430 | R422-H426 VanDerWaalsContact O-CB 3.3Å; R422-H426 WeakPolarHBondContact O-CB 3.44Å; R422-H426 PolarHBondContact O-N 3.4Å; A423-H426 PolarHBondContact O-N 2.92Å; L424-H426 VanDerWaalsContact C-N 3.3Å; L424-H426 PolarHBondContact O-N 3.24Å; H426-Y430 AromaticContact CD2-CD2 3.82Å; H426-Y430 AromaticContact NE2-CD2 3.91Å; H426-Y430 WeakPolarHBondContact O-CD2 3.29Å; H426-Y430 PolarHBondContact O-N 3.1Å |
| 427 | Q | 86.4 | Confident | 81 | Confident | 29 Ų | 29 | 90.5 Ų | 90.5 | 14% | 0.136 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -61.7 | -47.3 | 175.9 | -176.8 | 172.1 | -0.7 | 0 | 0 | 111.2 | A423 L424 L429 H431 Q434 P435 | A423-Q427 WeakPolarHBondContact O-CB 3.36Å; A423-Q427 PolarHBondContact O-N 3.15Å; L424-Q427 PolarHBondContact O-N 2.7Å; L424-Q427 VanDerWaalsContact O-N 3.15Å; Q427-L429 VanDerWaalsContact C-N 3.34Å; Q427-L429 PolarHBondContact O-N 3.38Å; Q427-H431 HydrophobicContact CG-CB 4.39Å; Q427-H431 CarbonylContact O-C 3.53Å; Q427-H431 VanDerWaalsContact O-CA 3.22Å; Q427-H431 WeakPolarHBondContact O-CA 3.28Å; Q427-H431 PolarHBondContact O-N 3.5Å; Q427-Q434 PolarHBondContact NE2-O 3.2Å; Q427-P435 VanDerWaalsContact NE2-C 3.26Å; Q427-P435 PolarHBondContact NE2-O 2.92Å |
| 428 | T | 86.9 | Confident | 79.1 | Confident | 85 Ų | 85 | 92.9 Ų | 92.9 | 52% | 0.521 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.3 | -38.3 | -178.9 | -53.3 | 0 | 0 | 0 | 0 | 112.7 | L424 L425 | L424-T428 PolarHBondContact O-N 3.1Å; L424-T428 PolarHBondContact O-OG1 2.77Å; L425-T428 PolarHBondContact O-N 2.82Å |
| 429 | L | 86.8 | Confident | 77.1 | Confident | 103 Ų | 103 | 92.9 Ų | 92.9 | 54% | 0.539 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -78.8 | -37 | -177.9 | -72.6 | 172.6 | 0 | 0 | 0 | 113.8 | L394 L425 Q427 | L394-L429 HydrophobicContact CD2-CD1 3.51Å; L425-L429 WeakPolarHBondContact O-CB 3.5Å; L425-L429 VanDerWaalsContact O-CG 3.28Å; L425-L429 WeakPolarHBondContact O-CG 3.46Å; L425-L429 PolarHBondContact O-N 3.26Å; Q427-L429 VanDerWaalsContact C-N 3.34Å; Q427-L429 PolarHBondContact O-N 3.38Å |
| 430 | Y | 87.8 | Confident | 74.8 | Confident | 160 Ų | 160 | 93.1 Ų | 93.1 | 63% | 0.627 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -112.4 | -18.1 | -170.2 | -61.9 | -75.2 | 0 | 0 | 0 | 113.9 | H426 | H426-Y430 AromaticContact CD2-CD2 3.82Å; H426-Y430 AromaticContact NE2-CD2 3.91Å; H426-Y430 WeakPolarHBondContact O-CD2 3.29Å; H426-Y430 PolarHBondContact O-N 3.1Å |
| 431 | H | 87.5 | Confident | 72.7 | Confident | 88 Ų | 88 | 96.4 Ų | 96.4 | 41% | 0.407 | 54% | 0.539 | S | S | . | . | trans | -138.1 | 56.2 | -178.6 | -57.9 | -51.1 | 0 | 0 | 0 | 112.6 | Q427 D433 Q434 | Q427-H431 HydrophobicContact CG-CB 4.39Å; Q427-H431 CarbonylContact O-C 3.53Å; Q427-H431 VanDerWaalsContact O-CA 3.22Å; Q427-H431 WeakPolarHBondContact O-CA 3.28Å; Q427-H431 PolarHBondContact O-N 3.5Å; H431-D433 PolarHBondContact O-N 3.08Å; H431-D433 VanDerWaalsContact O-N 3.16Å; H431-Q434 HydrophobicContact CB-CB 4.38Å; H431-Q434 HydrophobicContact CB-CG 4.41Å; H431-Q434 PolarHBondContact O-N 2.88Å; H431-Q434 VanDerWaalsContact O-N 3.13Å | ||
| 432 | P | 80.2 | Confident | 70.3 | Confident | 94 Ų | 94 | 100.7 Ų | 100.7 | 61% | 0.61 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -23.9 | -175.2 | 26.9 | -35.7 | 0 | 0 | 0 | 113.7 | Q434 | P432-Q434 VanDerWaalsContact C-N 3.33Š|
| 433 | D | 79.4 | Confident | 68 | Low | 161 Ų | 161 | 100.2 Ų | 100.2 | 86% | 0.861 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -6 | -179.3 | -58.4 | -44.6 | 0 | 0 | 0 | 113.7 | H431 | H431-D433 PolarHBondContact O-N 3.08Å; H431-D433 VanDerWaalsContact O-N 3.16Å |
| 434 | Q | 70.3 | Confident | 65.6 | Low | 111 Ų | 111 | 106.1 Ų | 106.1 | 52% | 0.519 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -95.1 | 129.5 | 176.9 | -71.6 | -175.9 | -3.9 | 0 | 0 | 110.3 | Q427 H431 P432 | Q427-Q434 PolarHBondContact NE2-O 3.2Å; H431-Q434 HydrophobicContact CB-CB 4.38Å; H431-Q434 HydrophobicContact CB-CG 4.41Å; H431-Q434 PolarHBondContact O-N 2.88Å; H431-Q434 VanDerWaalsContact O-N 3.13Å; P432-Q434 VanDerWaalsContact C-N 3.33Å |
| 435 | P | 63.1 | Low | 63.2 | Low | 107 Ų | 107 | 112.2 Ų | 112.2 | 70% | 0.695 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 141.2 | 176.9 | 24.4 | -32 | 0 | 0 | 0 | 110.5 | Q427 Q437 | Q427-P435 VanDerWaalsContact NE2-C 3.26Å; Q427-P435 PolarHBondContact NE2-O 2.92Å; P435-Q437 PolarHBondContact O-N 3.05Å |
| 436 | P | 59.6 | Low | 61.1 | Low | 81 Ų | 81 | 116.5 Ų | 116.5 | 53% | 0.526 | 66% | 0.659 | S | S | . | * | P | Polyproline II helix | trans | -54.4 | 126.3 | -178.9 | 19.8 | -30 | 0 | 0 | 0 | 109.8 | C438 | P436-C438 PolarHBondContact O-N 2.94Š|
| 437 | Q | 55.7 | Low | 59.1 | Low | 173 Ų | 173 | 121.8 Ų | 121.8 | 81% | 0.808 | 70% | 0.698 | S | S | * | * | trans | -71.4 | 87.5 | 172.7 | -74.1 | -172 | -6.2 | 0 | 0 | 107.9 | P435 A439 | P435-Q437 PolarHBondContact O-N 3.05Å; Q437-A439 PolarHBondContact O-N 2.94Å; Q437-A439 VanDerWaalsContact O-N 3.13Å | ||
| 438 | C | 45.3 | Very low | 57.8 | Low | 112 Ų | 112 | 126.5 Ų | 126.5 | 76% | 0.757 | 73% | 0.727 | S | S | * | * | trans | -55 | 120.2 | 166.6 | -92 | 0 | 0 | 0 | 0 | 108.2 | P436 S440 | P436-C438 PolarHBondContact O-N 2.94Å; C438-S440 PolarHBondContact O-N 3.33Å; C438-S440 VanDerWaalsContact O-N 3.09Å | ||
| 439 | A | 42.5 | Very low | 56.2 | Low | 92 Ų | 92 | 128.6 Ų | 128.6 | 76% | 0.76 | 74% | 0.737 | S | S | * | * | trans | -55.5 | 118.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | Q437 S441 | Q437-A439 PolarHBondContact O-N 2.94Å; Q437-A439 VanDerWaalsContact O-N 3.13Å; A439-S441 PolarHBondContact O-N 2.95Å; A439-S441 VanDerWaalsContact O-N 3.11Å | ||
| 440 | S | 37.2 | Very low | 54.5 | Low | 101 Ų | 101 | 130.1 Ų | 130.1 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | trans | -59.9 | 112.6 | 178.9 | 50.9 | 0 | 0 | 0 | 0 | 110.2 | C438 S442 | C438-S440 PolarHBondContact O-N 3.33Å; C438-S440 VanDerWaalsContact O-N 3.09Å; S440-S442 VanDerWaalsContact C-N 3.28Å; S440-S442 PolarHBondContact O-N 3.48Å | ||
| 441 | S | 40.7 | Very low | 52.6 | Low | 127 Ų | 127 | 128.3 Ų | 128.3 | 89% | 0.888 | 76% | 0.755 | S | S | * | * | trans | -70.4 | 87.7 | 158.9 | 47.9 | 0 | 0 | 0 | 0 | 108.7 | A439 | A439-S441 PolarHBondContact O-N 2.95Å; A439-S441 VanDerWaalsContact O-N 3.11Å | ||
| 442 | S | 36 | Very low | 50.4 | Low | 90 Ų | 90 | 130.8 Ų | 130.8 | 63% | 0.629 | 78% | 0.777 | S | S | * | * | trans | -134.9 | 74.3 | 170.4 | 64.2 | 0 | 0 | 0 | 0 | 110.9 | S440 | S440-S442 VanDerWaalsContact C-N 3.28Å; S440-S442 PolarHBondContact O-N 3.48Å | ||
| 443 | L | 36.6 | Very low | 48.4 | Very low | 172 Ų | 172 | 133.3 Ų | 133.3 | 90% | 0.901 | 79% | 0.788 | S | S | * | * | trans | -99.3 | 87.9 | 145.9 | -82.4 | 160.1 | 0 | 0 | 0 | 106.4 | ||||
| 444 | Q | 35.9 | Very low | 46.2 | Very low | 186 Ų | 186 | 131.3 Ų | 131.3 | 87% | 0.869 | 78% | 0.783 | S | S | * | * | trans | -99.2 | 108.1 | 156.3 | -87.4 | -175.1 | -18.2 | 0 | 0 | 106.5 | ||||
| 445 | D | 35.7 | Very low | 44.4 | Very low | 151 Ų | 151 | 132.8 Ų | 132.8 | 81% | 0.807 | 80% | 0.803 | S | S | * | * | trans | -58.8 | 131.3 | 165.9 | -79.3 | -36.3 | 0 | 0 | 0 | 109.9 | ||||
| 446 | P | 43.8 | Very low | 42.8 | Very low | 120 Ų | 120 | 135 Ų | 135 | 78% | 0.779 | 81% | 0.813 | S | S | * | * | trans | -89.9 | 123.9 | 157.4 | 30.9 | -21.6 | 0 | 0 | 0 | 109.3 | ||||
| 447 | T | 44.8 | Very low | 41.3 | Very low | 215 Ų | 215 | 139.9 Ų | 139.9 | 100% | 1.319 | 84% | 0.839 | S | S | * | * | trans | -52.1 | 0 | 162.5 | 44.3 | 0 | 0 | 0 | 0 | 113.6 |
Retrieved 447 of 447 residues in 1438.2 ms
(Link to these results)