| 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 | 55.8 | Low | 79.8 | Confident | 133 Ų | 133 | 75.5 Ų | 75.5 | 66% | 0.655 | 42% | 0.421 | S | S | * | . | 0 | 159.9 | 0 | -71.2 | -46.1 | -156.2 | 0 | 0 | 109.7 | E278 | M1-E278 WeakPolarHBondContact CE-OE1 3.16Å; M1-E278 WeakPolarHBondContact CE-OE2 3.45Å | |||
| 2 | P | 66.9 | Low | 80.4 | Confident | 106 Ų | 106 | 70.4 Ų | 70.4 | 69% | 0.688 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 165.2 | 162.8 | 30.4 | -36.1 | 0 | 0 | 0 | 111.2 | ||
| 3 | V | 78.4 | Confident | 81.2 | Confident | 102 Ų | 102 | 67.6 Ų | 67.6 | 62% | 0.618 | 38% | 0.376 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 135.2 | 174.2 | 176.8 | 0 | 0 | 0 | 0 | 110.3 | P5 | V3-P5 WeakPolarHBondContact O-CD 3.14Š|
| 4 | I | 84.1 | Confident | 82.1 | Confident | 28 Ų | 28 | 62.9 Ų | 62.9 | 14% | 0.144 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -84.2 | 119.8 | -179.1 | -65.2 | 162.3 | 0 | 0 | 0 | 108.9 | T376 C379 M380 L414 | I4-T376 HydrophobicContact CD1-CG2 4.1Å; I4-C379 HydrophobicContact CB-CB 4.45Å; I4-C379 HydrophobicContact CD1-CB 4.39Å; I4-C379 HydrophobicContact CG2-CB 4.32Å; I4-M380 HydrophobicContact CG2-CB 4.43Å; I4-M380 HydrophobicContact CG2-CG 3.34Å; I4-L414 HydrophobicContact CD1-CD1 3.52Å |
| 5 | P | 86.2 | Confident | 82.9 | Confident | 43 Ų | 43 | 58.7 Ų | 58.7 | 28% | 0.279 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -74.4 | 132 | -178.1 | 27.1 | -30.7 | 0 | 0 | 0 | 111.5 | V3 Y281 P283 | V3-P5 WeakPolarHBondContact O-CD 3.14Å; P5-Y281 HydrophobicContact CB-CD1 4.14Å; P5-Y281 HydrophobicContact CG-CD1 4.04Å; P5-Y281 WeakPolarHBondContact CG-O 3.41Å; P5-P283 HydrophobicContact CB-CG 4.15Å |
| 6 | V | 88.4 | Confident | 83.6 | Confident | 65 Ų | 65 | 55.1 Ų | 55.1 | 39% | 0.394 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -71.7 | 137.2 | 178.6 | 177.1 | 0 | 0 | 0 | 0 | 110.9 | Q382 | V6-Q382 HydrophobicContact CG1-CG 3.77Å; V6-Q382 HydrophobicContact CG2-CG 4.05Å |
| 7 | V | 88.6 | Confident | 84.1 | Confident | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.012 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -79.6 | 136.8 | 176.8 | 179.2 | 0 | 0 | 0 | 0 | 110.1 | H11 L270 Y281 M380 F381 H383 | V7-H11 HydrophobicContact CG1-CB 3.8Å; V7-L270 HydrophobicContact CG1-CD2 3.59Å; V7-Y281 HydrophobicContact CG2-CD1 4.02Å; V7-Y281 HydrophobicContact CG2-CE1 4.2Å; V7-Y281 HydrophobicContact CG2-CG 4.24Å; V7-M380 HydrophobicContact CG2-CB 4.31Å; V7-M380 HydrophobicContact CG2-CE 3.83Å; V7-M380 PolarHBondContact N-O 3.48Å; V7-F381 HydrophobicContact CB-CD1 4.28Å; V7-F381 HydrophobicContact CB-CE1 4.14Å; V7-F381 HydrophobicContact CB-CZ 4.44Å; V7-F381 HydrophobicContact CG1-CD1 4.38Å; V7-F381 HydrophobicContact CG1-CE1 3.9Å; V7-F381 HydrophobicContact CG1-CZ 4.33Å; V7-F381 HydrophobicContact CG2-CD2 4.49Å; V7-F381 HydrophobicContact CG2-CE1 4.2Å; V7-F381 HydrophobicContact CG2-CE2 4.14Å; V7-F381 HydrophobicContact CG2-CZ 3.99Å; V7-H383 PolarHBondContact O-CE1 3.29Å |
| 8 | P | 85.1 | Confident | 84.3 | Confident | 60 Ų | 60 | 50.6 Ų | 50.6 | 39% | 0.39 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 140.5 | 178.5 | -26.5 | 34 | 0 | 0 | 0 | 113.5 | N10 H11 Y281 | P8-N10 PolarHBondContact O-N 2.91Å; P8-H11 PolarHBondContact O-N 2.81Å; P8-H11 PolarHBondContact O-ND1 2.99Å; P8-Y281 WeakPolarHBondContact CD-OH 3.37Å |
| 9 | E | 81.1 | Confident | 84.4 | Confident | 154 Ų | 154 | 49.9 Ų | 49.9 | 72% | 0.72 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -28.1 | -168.1 | -59.5 | -177.9 | 164.1 | 0 | 0 | 115.2 | H11 H383 | E9-H11 PolarHBondContact O-N 3.02Å; E9-H11 VanDerWaalsContact O-N 3.12Å; E9-H383 VanDerWaalsContact CA-CD2 3.49Å; E9-H383 WeakPolarHBondContact CA-CD2 3.28Å; E9-H383 HydrophobicContact CG-CB 4.02Å; E9-H383 PolarHBondContact O-CD2 3.02Å |
| 10 | N | 78.6 | Confident | 84.4 | Confident | 123 Ų | 123 | 50.2 Ų | 50.2 | 66% | 0.658 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -22.9 | 176.6 | -62.5 | -8.8 | 0 | 0 | 0 | 113.6 | P8 | P8-N10 PolarHBondContact O-N 2.91Š|
| 11 | H | 84.6 | Confident | 84.5 | Confident | 15 Ų | 15 | 47.9 Ų | 47.9 | 7% | 0.069 | 27% | 0.267 | C | S | . | . | trans | -99 | 108.2 | -179.6 | -47.5 | 92.5 | 0 | 0 | 0 | 110.6 | V7 P8 E9 L270 H383 | V7-H11 HydrophobicContact CG1-CB 3.8Å; P8-H11 PolarHBondContact O-N 2.81Å; P8-H11 PolarHBondContact O-ND1 2.99Å; E9-H11 PolarHBondContact O-N 3.02Å; E9-H11 VanDerWaalsContact O-N 3.12Å; H11-L270 HydrophobicContact CB-CD1 3.89Å; H11-L270 HydrophobicContact CB-CD2 4.41Å; H11-H383 PolarHBondContact O-CE1 3.38Å; H11-H383 PolarHBondContact O-NE2 3.45Å | ||
| 12 | S | 87 | Confident | 85.8 | Confident | 14 Ų | 14 | 44.1 Ų | 44.1 | 10% | 0.098 | 25% | 0.25 | C | S | . | . | trans | -102.9 | -9.5 | 176.9 | 53.5 | 0 | 0 | 0 | 0 | 113.7 | S357 A358 | S12-S357 VanDerWaalsContact O-CA 3.3Å; S12-S357 WeakPolarHBondContact O-CA 3.45Å; S12-A358 PolarHBondContact O-N 3.18Å; S12-A358 VanDerWaalsContact O-N 3.1Å | ||
| 13 | H | 91.1 | Very high | 86.6 | Confident | 34 Ų | 34 | 43.2 Ų | 43.2 | 16% | 0.157 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 155.7 | -173.6 | -66 | 72.6 | 0 | 0 | 0 | 112 | L270 L323 L324 L355 L356 | H13-L270 WeakPolarHBondContact O-CD1 3.41Å; H13-L323 HydrophobicContact CB-CD1 4.34Å; H13-L323 HydrophobicContact CB-CD2 4.35Å; H13-L323 HydrophobicContact CB-CG 4.35Å; H13-L324 HydrophobicContact CB-CD2 4.47Å; H13-L355 HydrophobicContact CB-CD1 3.98Å; H13-L356 CarbonylContact C-O 3.53Å; H13-L356 WeakPolarHBondContact CA-O 3.4Å; H13-L356 WeakPolarHBondContact CB-O 3.44Å |
| 14 | L | 93.1 | Very high | 86.9 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 166 | 178.4 | 62.1 | 76.2 | 0 | 0 | 0 | 111.4 | A16 I273 L356 A358 C361 V377 F381 | L14-A16 HydrophobicContact CD1-CB 3.94Å; L14-I273 HydrophobicContact CD1-CB 4.48Å; L14-I273 HydrophobicContact CD1-CG1 3.83Å; L14-I273 HydrophobicContact CD2-CG1 3.92Å; L14-I273 HydrophobicContact CG-CG1 4.39Å; L14-L356 PolarHBondContact N-O 3.12Å; L14-L356 PolarHBondContact O-N 2.75Å; L14-L356 VanDerWaalsContact O-N 3.13Å; L14-A358 HydrophobicContact CD2-CB 4.37Å; L14-C361 HydrophobicContact CD1-CB 3.88Å; L14-C361 HydrophobicContact CD2-CB 4.04Å; L14-C361 HydrophobicContact CG-CB 4.28Å; L14-V377 HydrophobicContact CD2-CG1 3.88Å; L14-F381 HydrophobicContact CB-CE2 4.47Å; L14-F381 HydrophobicContact CB-CZ 4.02Å; L14-F381 HydrophobicContact CD2-CD2 4.14Å; L14-F381 HydrophobicContact CD2-CE2 3.66Å; L14-F381 HydrophobicContact CD2-CZ 4Å |
| 15 | L | 94.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 137.3 | 168.4 | -68.9 | 179.1 | 0 | 0 | 0 | 110.6 | L272 I273 V312 I314 L324 L341 S354 L355 | L15-L272 HydrophobicContact CB-CD1 3.56Å; L15-I273 PolarHBondContact O-N 2.94Å; L15-V312 HydrophobicContact CD1-CG1 4.44Å; L15-I314 HydrophobicContact CD1-CD1 4.49Å; L15-I314 HydrophobicContact CD2-CD1 4.14Å; L15-L324 HydrophobicContact CD1-CD1 4.1Å; L15-L324 HydrophobicContact CG-CD1 4.11Å; L15-L324 HydrophobicContact CG-CD2 4.38Å; L15-L341 HydrophobicContact CD1-CD2 4.41Å; L15-L341 HydrophobicContact CD2-CD2 3.68Å; L15-S354 WeakPolarHBondContact CA-O 3.36Å; L15-L355 HydrophobicContact CD2-CB 4.01Å; L15-L355 HydrophobicContact CD2-CD1 4.09Å |
| 16 | A | 93.8 | Very high | 86.6 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.008 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 133 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L14 F18 I273 L353 S354 | L14-A16 HydrophobicContact CD1-CB 3.94Å; A16-F18 HydrophobicContact CB-CD2 4.05Å; A16-F18 HydrophobicContact CB-CE2 3.48Å; A16-F18 VanDerWaalsContact CB-CE2 3.48Å; A16-F18 HydrophobicContact CB-CZ 3.79Å; A16-I273 CarbonylContact C-O 3.41Å; A16-I273 VanDerWaalsContact CA-O 3.26Å; A16-I273 WeakPolarHBondContact CA-O 3.31Å; A16-I273 HydrophobicContact CB-CB 4Å; A16-L353 WeakPolarHBondContact O-CA 3.38Å; A16-S354 PolarHBondContact N-O 3.33Å; A16-S354 PolarHBondContact O-N 3.48Å |
| 17 | E | 93 | Very high | 86.3 | Confident | 12 Ų | 12 | 39.8 Ų | 39.8 | 6% | 0.056 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 99.7 | 168.9 | -167.4 | -166.5 | 173.4 | 0 | 0 | 109.2 | I273 T274 Y275 R276 L353 | E17-I273 PolarHBondContact N-O 3.21Å; E17-T274 HydrophobicContact CB-CG2 3.85Å; E17-Y275 HydrophobicContact CG-CE1 3.95Å; E17-Y275 PolarHBondContact OE1-OH 3.3Å; E17-R276 IonicContact OE1-CZ 2.86Å; E17-R276 VanDerWaalsContact OE1-CZ 3.3Å; E17-R276 IonicContact OE1-NE 3.52Å; E17-R276 PolarHBondContact OE1-NE 2.72Å; E17-R276 IonicContact OE1-NH2 2.76Å; E17-R276 PolarHBondContact OE1-NH2 3.27Å; E17-R276 WeakPolarHBondContact OE2-CD 3.35Å; E17-R276 IonicContact OE2-CZ 2.8Å; E17-R276 IonicContact OE2-NE 3.65Å; E17-R276 PolarHBondContact OE2-NE 2.9Å; E17-L353 HydrophobicContact CB-CD2 3.61Å; E17-L353 HydrophobicContact CG-CD2 3.98Å |
| 18 | F | 88.3 | Confident | 86 | Confident | 17 Ų | 17 | 40.6 Ų | 40.6 | 8% | 0.075 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | -34.1 | 175.9 | -69.5 | -75.8 | 0 | 0 | 0 | 112.9 | A16 L356 R364 L365 R368 | A16-F18 HydrophobicContact CB-CD2 4.05Å; A16-F18 HydrophobicContact CB-CE2 3.48Å; A16-F18 VanDerWaalsContact CB-CE2 3.48Å; A16-F18 HydrophobicContact CB-CZ 3.79Å; F18-L356 HydrophobicContact CE2-CD1 3.49Å; F18-L356 VanDerWaalsContact CE2-CD1 3.49Å; F18-L356 HydrophobicContact CZ-CD1 3.75Å; F18-R364 HydrophobicContact CD1-CB 4.48Å; F18-R364 HydrophobicContact CE1-CB 3.65Å; F18-R364 HydrophobicContact CZ-CB 3.81Å; F18-R364 HydrophobicContact CZ-CG 4.47Å; F18-L365 HydrophobicContact CE1-CD2 4.21Å; F18-L365 HydrophobicContact CE1-CG 4.35Å; F18-R368 PolarHBondContact O-NH1 3.17Å |
| 19 | D | 86.3 | Confident | 85.8 | Confident | 38 Ų | 38 | 46.3 Ų | 46.3 | 20% | 0.203 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 121.3 | -167.6 | -53 | -42.4 | 0 | 0 | 0 | 111.5 | L21 W64 H352 R368 | D19-L21 PolarHBondContact O-N 3.5Å; D19-W64 HydrophobicContact CB-CZ2 4.47Å; D19-H352 IonicContact OD2-CE1 3.65Å; D19-H352 PolarHBondContact OD2-CE1 3.37Å; D19-H352 IonicContact OD2-ND1 2.74Å; D19-H352 PolarHBondContact OD2-ND1 3.2Å; D19-R368 IonicContact OD1-CZ 2.74Å; D19-R368 IonicContact OD1-NH1 2.95Å; D19-R368 PolarHBondContact OD1-NH1 2.98Å; D19-R368 IonicContact OD1-NH2 2.76Å; D19-R368 PolarHBondContact OD1-NH2 3.27Å |
| 20 | C | 83.1 | Confident | 85.8 | Confident | 56 Ų | 56 | 39.4 Ų | 39.4 | 38% | 0.378 | 22% | 0.219 | S | C | . | . | trans | -77.1 | 110.1 | 177.5 | -171.7 | 0 | 0 | 0 | 0 | 110.6 | P23 Y275 | C20-P23 WeakPolarHBondContact O-CD 3.44Å; C20-Y275 VanDerWaalsContact CA-OH 3.29Å; C20-Y275 WeakPolarHBondContact CA-OH 3.48Å; C20-Y275 HydrophobicContact CB-CE1 4.4Å; C20-Y275 HydrophobicContact CB-CE2 4.18Å; C20-Y275 WeakPolarHBondContact CB-OH 3.41Å; C20-Y275 PolarHBondContact SG-OH 3.43Å | ||
| 21 | L | 86.3 | Confident | 85.4 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | trans | -84.8 | -9.4 | 175.2 | -61.4 | -170.5 | 0 | 0 | 0 | 113.4 | D19 P23 L24 L25 W64 F342 L350 H352 | D19-L21 PolarHBondContact O-N 3.5Å; L21-P23 VanDerWaalsContact C-CD 3.45Å; L21-L24 WeakPolarHBondContact O-CA 3.49Å; L21-L24 WeakPolarHBondContact O-CB 3.37Å; L21-L24 PolarHBondContact O-N 3.24Å; L21-L25 WeakPolarHBondContact O-CG 3.23Å; L21-L25 PolarHBondContact O-N 3.01Å; L21-W64 HydrophobicContact CD2-CD2 3.63Å; L21-W64 HydrophobicContact CD2-CE3 3.76Å; L21-W64 HydrophobicContact CD2-CG 4.17Å; L21-W64 HydrophobicContact CD2-CH2 4.2Å; L21-W64 HydrophobicContact CD2-CZ2 4.06Å; L21-W64 HydrophobicContact CD2-CZ3 4.05Å; L21-F342 HydrophobicContact CD1-CD1 4.45Å; L21-F342 HydrophobicContact CD1-CE1 4.47Å; L21-L350 HydrophobicContact CD1-CD2 3.79Å; L21-L350 HydrophobicContact CD1-CG 4.06Å; L21-H352 HydrophobicContact CD1-CB 3.96Å; L21-H352 HydrophobicContact CG-CB 4.19Å | ||
| 22 | D | 83.2 | Confident | 84.6 | Confident | 55 Ų | 55 | 40.3 Ų | 40.3 | 29% | 0.294 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -52.2 | -43.4 | -178.1 | -59.6 | 19.7 | 0 | 0 | 0 | 113.6 | L24 L25 S26 R276 | D22-L24 VanDerWaalsContact C-N 3.3Å; D22-L24 PolarHBondContact O-N 2.89Å; D22-L25 PolarHBondContact O-N 3.12Å; D22-L25 VanDerWaalsContact O-N 3.15Å; D22-S26 PolarHBondContact O-N 2.62Å; D22-R276 IonicContact OD1-CZ 3.3Å; D22-R276 IonicContact OD1-NH1 2.76Å; D22-R276 PolarHBondContact OD1-NH1 2.96Å; D22-R276 IonicContact OD1-NH2 3.44Å; D22-R276 PolarHBondContact OD1-NH2 3.33Å; D22-R276 IonicContact OD2-CZ 3.94Å; D22-R276 IonicContact OD2-NH1 3.63Å; D22-R276 PolarHBondContact OD2-NH1 2.99Å; D22-R276 IonicContact OD2-NH2 3.54Å |
| 23 | P | 84.1 | Confident | 83.7 | Confident | 87 Ų | 87 | 42 Ų | 42 | 57% | 0.565 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -62.9 | -35 | 177.8 | -22.2 | 34.6 | 0 | 0 | 0 | 113.2 | C20 L21 A27 | C20-P23 WeakPolarHBondContact O-CD 3.44Å; L21-P23 VanDerWaalsContact C-CD 3.45Å; P23-A27 WeakPolarHBondContact O-CB 3.47Å; P23-A27 PolarHBondContact O-N 3.2Å |
| 24 | L | 84.3 | Confident | 83 | Confident | 21 Ų | 21 | 51.5 Ų | 51.5 | 11% | 0.11 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.7 | -44.4 | 173.7 | 174.6 | 63.4 | 0 | 0 | 0 | 110.6 | L21 D22 S26 A27 L28 I59 W64 | L21-L24 WeakPolarHBondContact O-CA 3.49Å; L21-L24 WeakPolarHBondContact O-CB 3.37Å; L21-L24 PolarHBondContact O-N 3.24Å; D22-L24 VanDerWaalsContact C-N 3.3Å; D22-L24 PolarHBondContact O-N 2.89Å; L24-S26 VanDerWaalsContact C-N 3.32Å; L24-S26 PolarHBondContact O-N 3.34Å; L24-A27 PolarHBondContact O-N 3.03Å; L24-L28 HydrophobicContact CD1-CD1 3.89Å; L24-L28 HydrophobicContact CD1-CG 4.11Å; L24-L28 HydrophobicContact CG-CD1 4.05Å; L24-L28 WeakPolarHBondContact O-CB 3.14Å; L24-L28 VanDerWaalsContact O-CG 3.28Å; L24-L28 WeakPolarHBondContact O-CG 3.04Å; L24-L28 PolarHBondContact O-N 3.09Å; L24-I59 HydrophobicContact CD1-CG1 4.49Å; L24-I59 HydrophobicContact CD2-CD1 4.07Å; L24-I59 HydrophobicContact CD2-CG1 4.18Å; L24-I59 HydrophobicContact CD2-CG2 3.84Å; L24-W64 WeakPolarHBondContact CD1-O 3.37Å; L24-W64 HydrophobicContact CD2-CB 4.34Å |
| 25 | L | 82.9 | Confident | 82.6 | Confident | 10 Ų | 10 | 53 Ų | 53 | 5% | 0.052 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.8 | -38.1 | 178.9 | -64.2 | 174.1 | 0 | 0 | 0 | 112.1 | L21 D22 L28 R29 F30 L350 | L21-L25 WeakPolarHBondContact O-CG 3.23Å; L21-L25 PolarHBondContact O-N 3.01Å; D22-L25 PolarHBondContact O-N 3.12Å; D22-L25 VanDerWaalsContact O-N 3.15Å; L25-L28 CarbonylContact O-C 3.46Å; L25-L28 PolarHBondContact O-N 3.26Å; L25-R29 PolarHBondContact O-N 3.16Å; L25-F30 HydrophobicContact CB-CB 4.42Å; L25-F30 HydrophobicContact CD2-CB 4.39Å; L25-F30 HydrophobicContact CD2-CD2 3.78Å; L25-F30 HydrophobicContact CD2-CG 4.46Å; L25-F30 PolarHBondContact O-N 2.83Å; L25-L350 HydrophobicContact CD1-CB 4.04Å; L25-L350 HydrophobicContact CD2-CB 4.06Å |
| 26 | S | 81.8 | Confident | 82.3 | Confident | 56 Ų | 56 | 58.2 Ų | 58.2 | 39% | 0.392 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -69.4 | -40.6 | 172.2 | -73.2 | 0 | 0 | 0 | 0 | 113.1 | D22 L24 L28 R29 D31 | D22-S26 PolarHBondContact O-N 2.62Å; L24-S26 VanDerWaalsContact C-N 3.32Å; L24-S26 PolarHBondContact O-N 3.34Å; S26-L28 PolarHBondContact O-N 3.44Å; S26-R29 PolarHBondContact O-N 2.71Å; S26-D31 WeakPolarHBondContact CA-OD2 3.44Å; S26-D31 VanDerWaalsContact CB-OD2 3.23Å; S26-D31 WeakPolarHBondContact CB-OD2 3.24Å; S26-D31 PolarHBondContact OG-OD2 3.2Å |
| 27 | A | 82.1 | Confident | 82.1 | Confident | 79 Ų | 79 | 58.6 Ų | 58.6 | 65% | 0.653 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -60.2 | -34.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | P23 L24 | P23-A27 WeakPolarHBondContact O-CB 3.47Å; P23-A27 PolarHBondContact O-N 3.2Å; L24-A27 PolarHBondContact O-N 3.03Å |
| 28 | L | 83.1 | Confident | 82 | Confident | 18 Ų | 18 | 60.6 Ų | 60.6 | 9% | 0.094 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -2 | 174.6 | -61.4 | -179.9 | 0 | 0 | 0 | 114 | L24 L25 S26 F30 I59 Q66 | L24-L28 HydrophobicContact CD1-CD1 3.89Å; L24-L28 HydrophobicContact CD1-CG 4.11Å; L24-L28 HydrophobicContact CG-CD1 4.05Å; L24-L28 WeakPolarHBondContact O-CB 3.14Å; L24-L28 VanDerWaalsContact O-CG 3.28Å; L24-L28 WeakPolarHBondContact O-CG 3.04Å; L24-L28 PolarHBondContact O-N 3.09Å; L25-L28 CarbonylContact O-C 3.46Å; L25-L28 PolarHBondContact O-N 3.26Å; S26-L28 PolarHBondContact O-N 3.44Å; L28-F30 VanDerWaalsContact C-N 3.3Å; L28-F30 HydrophobicContact CB-CD2 3.63Å; L28-F30 HydrophobicContact CB-CE2 3.64Å; L28-F30 HydrophobicContact CD1-CD2 4.29Å; L28-F30 HydrophobicContact CD1-CE2 3.78Å; L28-F30 HydrophobicContact CG-CE2 4.35Å; L28-F30 PolarHBondContact O-N 3.34Å; L28-I59 HydrophobicContact CD1-CD1 3.98Å; L28-I59 HydrophobicContact CD1-CG1 4.42Å; L28-Q66 HydrophobicContact CD2-CB 4.34Å; L28-Q66 HydrophobicContact CD2-CG 4.37Å |
| 29 | R | 80.9 | Confident | 82.2 | Confident | 180 Ų | 180 | 59.9 Ų | 59.9 | 68% | 0.679 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | 26 | 179.4 | -54.7 | 179.7 | 176.4 | 175.7 | -1.9 | 115.5 | L25 S26 D31 S32 | L25-R29 PolarHBondContact O-N 3.16Å; S26-R29 PolarHBondContact O-N 2.71Å; R29-D31 VanDerWaalsContact C-N 3.25Å; R29-D31 VanDerWaalsContact C-OD1 3.3Å; R29-D31 VanDerWaalsContact CA-OD1 3.3Å; R29-D31 WeakPolarHBondContact CA-OD1 3.48Å; R29-D31 PolarHBondContact O-N 3.23Å; R29-S32 WeakPolarHBondContact O-CB 3.16Å; R29-S32 PolarHBondContact O-N 3.16Å; R29-S32 PolarHBondContact O-OG 3Å |
| 30 | F | 79.6 | Confident | 82.7 | Confident | 9 Ų | 9 | 58.5 Ų | 58.5 | 4% | 0.039 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -70.3 | -23.3 | 173.9 | -71.3 | -57 | 0 | 0 | 0 | 113 | L25 L28 S32 L35 C37 L49 T51 | L25-F30 HydrophobicContact CB-CB 4.42Å; L25-F30 HydrophobicContact CD2-CB 4.39Å; L25-F30 HydrophobicContact CD2-CD2 3.78Å; L25-F30 HydrophobicContact CD2-CG 4.46Å; L25-F30 PolarHBondContact O-N 2.83Å; L28-F30 VanDerWaalsContact C-N 3.3Å; L28-F30 HydrophobicContact CB-CD2 3.63Å; L28-F30 HydrophobicContact CB-CE2 3.64Å; L28-F30 HydrophobicContact CD1-CD2 4.29Å; L28-F30 HydrophobicContact CD1-CE2 3.78Å; L28-F30 HydrophobicContact CG-CE2 4.35Å; L28-F30 PolarHBondContact O-N 3.34Å; F30-S32 VanDerWaalsContact C-N 3.31Å; F30-L35 HydrophobicContact CD1-CD2 4.18Å; F30-L35 HydrophobicContact CD1-CG 4.03Å; F30-L35 HydrophobicContact CE1-CD2 3.83Å; F30-L35 HydrophobicContact CE1-CG 3.81Å; F30-L35 HydrophobicContact CZ-CD2 4.43Å; F30-C37 HydrophobicContact CD1-CB 4.18Å; F30-C37 HydrophobicContact CE1-CB 4.02Å; F30-C37 HydrophobicContact CZ-CB 4.36Å; F30-L49 HydrophobicContact CE2-CD1 3.99Å; F30-T51 HydrophobicContact CE1-CG2 3.48Å; F30-T51 VanDerWaalsContact CE1-CG2 3.48Å; F30-T51 HydrophobicContact CZ-CG2 3.54Å |
| 31 | D | 70 | Confident | 83.2 | Confident | 99 Ų | 99 | 56.2 Ų | 56.2 | 53% | 0.529 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -64.7 | -29.7 | 169.6 | 59 | -7.8 | 0 | 0 | 0 | 113.7 | S26 R29 G33 | S26-D31 WeakPolarHBondContact CA-OD2 3.44Å; S26-D31 VanDerWaalsContact CB-OD2 3.23Å; S26-D31 WeakPolarHBondContact CB-OD2 3.24Å; S26-D31 PolarHBondContact OG-OD2 3.2Å; R29-D31 VanDerWaalsContact C-N 3.25Å; R29-D31 VanDerWaalsContact C-OD1 3.3Å; R29-D31 VanDerWaalsContact CA-OD1 3.3Å; R29-D31 WeakPolarHBondContact CA-OD1 3.48Å; R29-D31 PolarHBondContact O-N 3.23Å; D31-G33 PolarHBondContact O-N 3.14Å |
| 32 | S | 68.2 | Low | 83.6 | Confident | 59 Ų | 59 | 57.1 Ų | 57.1 | 41% | 0.413 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -67.7 | -4.7 | -173 | 75.5 | 0 | 0 | 0 | 0 | 115.3 | R29 F30 R34 | R29-S32 WeakPolarHBondContact O-CB 3.16Å; R29-S32 PolarHBondContact O-N 3.16Å; R29-S32 PolarHBondContact O-OG 3Å; F30-S32 VanDerWaalsContact C-N 3.31Å; S32-R34 PolarHBondContact O-N 3.39Å |
| 33 | G | 67.6 | Low | 84 | Confident | 49 Ų | 49 | 54.8 Ų | 54.8 | 51% | 0.505 | 30% | 0.297 | S | S | . | . | S | Bend | trans | 68.8 | -18 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | D31 | D31-G33 PolarHBondContact O-N 3.14Š|
| 34 | R | 77.7 | Confident | 84.3 | Confident | 233 Ų | 233 | 59.3 Ų | 59.3 | 88% | 0.879 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -77.6 | -38.8 | 179 | -64.1 | -177 | -179.3 | -163.3 | 0.6 | 112.7 | S32 | S32-R34 PolarHBondContact O-N 3.39Š|
| 35 | L | 84.6 | Confident | 84.5 | Confident | 34 Ų | 34 | 63.2 Ų | 63.2 | 18% | 0.178 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -107 | 126.3 | 174.3 | -174.6 | 67.4 | 0 | 0 | 0 | 107.9 | F30 T51 A53 | F30-L35 HydrophobicContact CD1-CD2 4.18Å; F30-L35 HydrophobicContact CD1-CG 4.03Å; F30-L35 HydrophobicContact CE1-CD2 3.83Å; F30-L35 HydrophobicContact CE1-CG 3.81Å; F30-L35 HydrophobicContact CZ-CD2 4.43Å; L35-T51 HydrophobicContact CD1-CG2 4.35Å; L35-A53 HydrophobicContact CD1-CB 3.51Å |
| 36 | K | 87.1 | Confident | 85 | Confident | 108 Ų | 108 | 63.5 Ų | 63.5 | 47% | 0.47 | 32% | 0.319 | S | S | . | . | trans | -116.4 | 137.5 | 176.8 | -64 | -169.9 | 175.1 | -167.1 | 0 | 110.2 | T51 S52 | K36-T51 VanDerWaalsContact O-CA 3.3Å; K36-T51 WeakPolarHBondContact O-CA 3.39Å; K36-S52 PolarHBondContact N-OG 2.84Å; K36-S52 PolarHBondContact O-N 3.28Å | ||
| 37 | C | 90.4 | Very high | 85.6 | Confident | 10 Ų | 10 | 60.8 Ų | 60.8 | 7% | 0.068 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 131.2 | 161.8 | -173.8 | 0 | 0 | 0 | 0 | 108.1 | F30 G50 L344 | F30-C37 HydrophobicContact CD1-CB 4.18Å; F30-C37 HydrophobicContact CE1-CB 4.02Å; F30-C37 HydrophobicContact CZ-CB 4.36Å; C37-G50 WeakPolarHBondContact CA-O 3.43Å; C37-L344 HydrophobicContact CB-CD1 3.82Å |
| 38 | T | 91.4 | Very high | 86.2 | Confident | 54 Ų | 54 | 57 Ų | 57 | 33% | 0.331 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | -26.1 | -173.1 | 44.1 | 0 | 0 | 0 | 0 | 113.4 | G50 T51 I77 | T38-G50 PolarHBondContact N-O 3.39Å; T38-G50 VanDerWaalsContact OG1-C 3.31Å; T38-G50 PolarHBondContact OG1-O 3.36Å; T38-T51 WeakPolarHBondContact OG1-CA 3.33Å; T38-T51 PolarHBondContact OG1-N 3.03Å; T38-I77 VanDerWaalsContact CB-O 3.3Å; T38-I77 WeakPolarHBondContact CB-O 3.36Å; T38-I77 PolarHBondContact OG1-O 2.65Å |
| 39 | C | 92.5 | Very high | 86.8 | Confident | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.007 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.2 | 159.1 | 176.4 | 56.7 | 0 | 0 | 0 | 0 | 109.2 | G50 | C39-G50 PolarHBondContact O-N 3.23Å |
| 40 | L | 95.3 | Very high | 87.4 | Confident | 10 Ų | 10 | 47.7 Ų | 47.7 | 5% | 0.052 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 161.7 | 174.6 | 71.8 | 137.4 | 0 | 0 | 0 | 112.9 | L47 A48 L49 A335 F342 L344 L350 | L40-L47 HydrophobicContact CD1-CD1 4.13Å; L40-A48 CarbonylContact C-O 3.57Å; L40-A48 VanDerWaalsContact CA-O 3.26Å; L40-A48 WeakPolarHBondContact CA-O 3.46Å; L40-L49 HydrophobicContact CB-CD2 3.7Å; L40-A335 HydrophobicContact CD1-CB 3.56Å; L40-A335 HydrophobicContact CG-CB 3.88Å; L40-F342 HydrophobicContact CD1-CB 3.42Å; L40-F342 VanDerWaalsContact CD1-CB 3.42Å; L40-F342 HydrophobicContact CD1-CG 4.39Å; L40-L344 HydrophobicContact CD2-CB 3.45Å; L40-L344 VanDerWaalsContact CD2-CB 3.45Å; L40-L344 HydrophobicContact CD2-CD2 4.46Å; L40-L350 HydrophobicContact CD1-CD1 4.26Å; L40-L350 HydrophobicContact CD2-CD1 4.19Å |
| 41 | A | 95.2 | Very high | 88 | Confident | 7 Ų | 7 | 47.3 Ų | 47.3 | 6% | 0.058 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 160.1 | 163.2 | 0 | 0 | 0 | 0 | 0 | 110 | A48 V80 | A41-A48 HydrophobicContact CB-CB 4.45Å; A41-A48 PolarHBondContact N-O 2.79Å; A41-A48 PolarHBondContact O-N 3.37Å; A41-V80 HydrophobicContact CB-CB 4.18Å; A41-V80 HydrophobicContact CB-CG1 3.83Å |
| 42 | V | 94.1 | Very high | 89 | Confident | 20 Ų | 20 | 44.9 Ų | 44.9 | 12% | 0.121 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 145 | -178.5 | 60.1 | 0 | 0 | 0 | 0 | 111 | W46 K61 A335 V336 H337 F342 | V42-W46 CarbonylContact C-O 3.59Å; V42-W46 WeakPolarHBondContact CA-O 2.95Å; V42-K61 HydrophobicContact CG2-CD 4.12Å; V42-A335 HydrophobicContact CG1-CB 3.88Å; V42-V336 WeakPolarHBondContact CG1-O 3.41Å; V42-H337 HydrophobicContact CG1-CB 3.97Å; V42-H337 HydrophobicContact CG2-CB 4Å; V42-F342 HydrophobicContact CB-CD2 4.33Å; V42-F342 HydrophobicContact CB-CE2 4.49Å; V42-F342 HydrophobicContact CG1-CD2 4.3Å; V42-F342 HydrophobicContact CG2-CD2 4.11Å; V42-F342 HydrophobicContact CG2-CE2 3.78Å; V42-F342 HydrophobicContact CG2-CZ 4.44Å |
| 43 | S | 92.1 | Very high | 90.1 | Very high | 6 Ų | 6 | 45.5 Ų | 45.5 | 4% | 0.042 | 23% | 0.231 | C | C | . | . | trans | -130.4 | -163.8 | 172.9 | 78.7 | 0 | 0 | 0 | 0 | 110.5 | K45 W46 K61 E87 | S43-K45 PolarHBondContact OG-N 3.26Å; S43-W46 PolarHBondContact N-O 2.87Å; S43-W46 PolarHBondContact OG-N 3.33Å; S43-K61 WeakPolarHBondContact O-CD 3.3Å; S43-K61 PolarHBondContact O-NZ 3.48Å; S43-E87 WeakPolarHBondContact CB-OE1 3.45Å; S43-E87 PolarHBondContact OG-OE1 2.6Å | ||
| 44 | R | 89.5 | Confident | 91.3 | Very high | 183 Ų | 183 | 43.2 Ų | 43.2 | 69% | 0.691 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -69.4 | -46.1 | 175.7 | 179.3 | -176.5 | 176.1 | -176.3 | -1.4 | 110.8 | E87 | R44-E87 WeakPolarHBondContact CA-OE1 3.4Å; R44-E87 WeakPolarHBondContact CB-OE1 3.42Å; R44-E87 PolarHBondContact N-OE1 3.21Å |
| 45 | K | 89.4 | Confident | 92 | Very high | 103 Ų | 103 | 32.5 Ų | 32.5 | 45% | 0.448 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -89.6 | -38.8 | 178.6 | -67.8 | 166.3 | -164.1 | 161 | 0 | 113.8 | S43 K61 E87 | S43-K45 PolarHBondContact OG-N 3.26Å; K45-K61 PolarHBondContact O-N 3.47Å; K45-E87 HydrophobicContact CD-CB 4.37Å; K45-E87 WeakPolarHBondContact CD-OE2 3.39Å; K45-E87 WeakPolarHBondContact CE-OE2 3.45Å; K45-E87 WeakPolarHBondContact CG-OE2 3.27Å; K45-E87 PolarHBondContact N-OE1 3.5Å; K45-E87 IonicContact NZ-OE2 3.36Å |
| 46 | W | 92.1 | Very high | 92.6 | Very high | 15 Ų | 15 | 30.9 Ų | 30.9 | 6% | 0.057 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 141.2 | -163.3 | -61.4 | 116.8 | 0 | 0 | 0 | 114.4 | V42 S43 L58 I59 Q60 R67 L104 L106 | V42-W46 CarbonylContact C-O 3.59Å; V42-W46 WeakPolarHBondContact CA-O 2.95Å; S43-W46 PolarHBondContact N-O 2.87Å; S43-W46 PolarHBondContact OG-N 3.33Å; W46-L58 HydrophobicContact CE3-CB 4.04Å; W46-L58 HydrophobicContact CZ3-CB 4.24Å; W46-I59 WeakPolarHBondContact CA-O 3.48Å; W46-Q60 HydrophobicContact CE3-CB 4.5Å; W46-Q60 HydrophobicContact CZ3-CB 4.05Å; W46-R67 HydrophobicContact CH2-CB 3.81Å; W46-R67 HydrophobicContact CH2-CG 3.92Å; W46-R67 HydrophobicContact CZ3-CB 3.8Å; W46-R67 HydrophobicContact CZ3-CG 3.83Å; W46-L104 HydrophobicContact CZ2-CD1 4.49Å; W46-L106 HydrophobicContact CZ2-CD1 3.72Å; W46-L106 HydrophobicContact CZ2-CD2 3.88Å; W46-L106 HydrophobicContact CZ2-CG 4.5Å |
| 47 | L | 94.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 119.3 | 154.4 | 170.7 | 66.5 | 0 | 0 | 0 | 107.2 | L40 L49 I59 K61 W64 F342 L350 | L40-L47 HydrophobicContact CD1-CD1 4.13Å; L47-L49 HydrophobicContact CD1-CD2 3.93Å; L47-L49 HydrophobicContact CD2-CD2 4.42Å; L47-L49 HydrophobicContact CG-CD2 4.02Å; L47-L49 HydrophobicContact CG-CG 4.33Å; L47-I59 HydrophobicContact CB-CB 4.26Å; L47-I59 HydrophobicContact CD2-CD1 4.26Å; L47-I59 HydrophobicContact CG-CD1 4.4Å; L47-I59 PolarHBondContact N-O 3.26Å; L47-I59 PolarHBondContact O-N 3.17Å; L47-K61 HydrophobicContact CB-CG 4.35Å; L47-W64 HydrophobicContact CD2-CZ3 4.02Å; L47-F342 HydrophobicContact CD1-CD1 4Å; L47-F342 HydrophobicContact CD1-CE1 4.36Å; L47-F342 HydrophobicContact CD1-CG 4.29Å; L47-F342 HydrophobicContact CD2-CD1 4.28Å; L47-F342 HydrophobicContact CD2-CE1 4.21Å; L47-L350 HydrophobicContact CD1-CD2 4.48Å; L47-L350 HydrophobicContact CD2-CD2 3.83Å |
| 48 | A | 95.3 | Very high | 93 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 117.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | L40 A41 L56 H57 L58 V80 | L40-A48 CarbonylContact C-O 3.57Å; L40-A48 VanDerWaalsContact CA-O 3.26Å; L40-A48 WeakPolarHBondContact CA-O 3.46Å; A41-A48 HydrophobicContact CB-CB 4.45Å; A41-A48 PolarHBondContact N-O 2.79Å; A41-A48 PolarHBondContact O-N 3.37Å; A48-L56 HydrophobicContact CB-CD1 4.4Å; A48-H57 WeakPolarHBondContact CA-O 3.49Å; A48-L58 HydrophobicContact CB-CD2 3.51Å; A48-V80 HydrophobicContact CB-CG1 4.04Å |
| 49 | L | 94.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 117.1 | -177.8 | -55.8 | -176.9 | 0 | 0 | 0 | 110.8 | F30 L40 L47 L56 H57 I59 L350 | F30-L49 HydrophobicContact CE2-CD1 3.99Å; L40-L49 HydrophobicContact CB-CD2 3.7Å; L47-L49 HydrophobicContact CD1-CD2 3.93Å; L47-L49 HydrophobicContact CD2-CD2 4.42Å; L47-L49 HydrophobicContact CG-CD2 4.02Å; L47-L49 HydrophobicContact CG-CG 4.33Å; L49-L56 WeakPolarHBondContact O-CA 3.35Å; L49-H57 HydrophobicContact CB-CB 4.5Å; L49-H57 PolarHBondContact N-O 3.34Å; L49-H57 PolarHBondContact O-N 2.71Å; L49-I59 HydrophobicContact CD1-CD1 3.57Å; L49-I59 HydrophobicContact CG-CD1 3.86Å; L49-L350 HydrophobicContact CD1-CD2 4.19Å; L49-L350 HydrophobicContact CD2-CD2 3.87Å |
| 50 | G | 94.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 148.5 | 172 | 0 | 0 | 0 | 0 | 0 | 111.5 | C37 T38 C39 | C37-G50 WeakPolarHBondContact CA-O 3.43Å; T38-G50 PolarHBondContact N-O 3.39Å; T38-G50 VanDerWaalsContact OG1-C 3.31Å; T38-G50 PolarHBondContact OG1-O 3.36Å; C39-G50 PolarHBondContact O-N 3.23Å |
| 51 | T | 92.9 | Very high | 92.8 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.006 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 158.8 | -173.1 | 69.7 | 0 | 0 | 0 | 0 | 115.5 | F30 L35 K36 T38 A53 G54 G55 I77 | F30-T51 HydrophobicContact CE1-CG2 3.48Å; F30-T51 VanDerWaalsContact CE1-CG2 3.48Å; F30-T51 HydrophobicContact CZ-CG2 3.54Å; L35-T51 HydrophobicContact CD1-CG2 4.35Å; K36-T51 VanDerWaalsContact O-CA 3.3Å; K36-T51 WeakPolarHBondContact O-CA 3.39Å; T38-T51 WeakPolarHBondContact OG1-CA 3.33Å; T38-T51 PolarHBondContact OG1-N 3.03Å; T51-A53 PolarHBondContact O-N 2.88Å; T51-A53 VanDerWaalsContact O-N 3.13Å; T51-G54 PolarHBondContact O-N 3.44Å; T51-G54 VanDerWaalsContact O-N 3.14Å; T51-G55 WeakPolarHBondContact CB-O 3.29Å; T51-G55 WeakPolarHBondContact CG2-O 3.23Å; T51-G55 PolarHBondContact N-O 3.11Å; T51-G55 WeakPolarHBondContact OG1-CA 3.29Å; T51-G55 PolarHBondContact OG1-N 2.86Å; T51-G55 PolarHBondContact OG1-O 2.81Å; T51-I77 PolarHBondContact O-N 2.59Å |
| 52 | S | 91.4 | Very high | 92.2 | Very high | 48 Ų | 48 | 32.9 Ų | 32.9 | 34% | 0.336 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -18.1 | 172.9 | 63.1 | 0 | 0 | 0 | 0 | 114.4 | K36 S76 | K36-S52 PolarHBondContact N-OG 2.84Å; K36-S52 PolarHBondContact O-N 3.28Å; S52-S76 WeakPolarHBondContact O-CB 3.47Å |
| 53 | A | 91.1 | Very high | 91.7 | Very high | 73 Ų | 73 | 34.6 Ų | 34.6 | 60% | 0.603 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | 3.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | L35 T51 G55 | L35-A53 HydrophobicContact CD1-CB 3.51Å; T51-A53 PolarHBondContact O-N 2.88Å; T51-A53 VanDerWaalsContact O-N 3.13Å; A53-G55 VanDerWaalsContact C-N 3.33Å |
| 54 | G | 91.6 | Very high | 91.5 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | S | Bend | trans | 82.3 | 6.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | T51 H72 G75 | T51-G54 PolarHBondContact O-N 3.44Å; T51-G54 VanDerWaalsContact O-N 3.14Å; G54-H72 WeakPolarHBondContact O-CB 3.17Å; G54-H72 PolarHBondContact O-N 2.8Å; G54-G75 WeakPolarHBondContact CA-O 3.26Å |
| 55 | G | 93.9 | Very high | 91.4 | Very high | 7 Ų | 7 | 34.4 Ų | 34.4 | 7% | 0.072 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 135.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | T51 A53 I77 | T51-G55 WeakPolarHBondContact CB-O 3.29Å; T51-G55 WeakPolarHBondContact CG2-O 3.23Å; T51-G55 PolarHBondContact N-O 3.11Å; T51-G55 WeakPolarHBondContact OG1-CA 3.29Å; T51-G55 PolarHBondContact OG1-N 2.86Å; T51-G55 PolarHBondContact OG1-O 2.81Å; A53-G55 VanDerWaalsContact C-N 3.33Å; G55-I77 WeakPolarHBondContact O-CD1 3.35Å |
| 56 | L | 95.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 119.2 | 165.4 | -179 | 75.7 | 0 | 0 | 0 | 108.3 | A48 L49 L58 I69 L70 I77 V80 I90 V92 | A48-L56 HydrophobicContact CB-CD1 4.4Å; L49-L56 WeakPolarHBondContact O-CA 3.35Å; L56-L58 HydrophobicContact CD2-CD2 3.86Å; L56-L58 HydrophobicContact CD2-CG 4.34Å; L56-L58 HydrophobicContact CG-CD2 4.01Å; L56-I69 CarbonylContact O-C 3.59Å; L56-I69 VanDerWaalsContact O-CA 3.29Å; L56-I69 WeakPolarHBondContact O-CA 3.5Å; L56-L70 HydrophobicContact CB-CB 4.27Å; L56-L70 HydrophobicContact CD2-CB 4.46Å; L56-L70 HydrophobicContact CD2-CD1 4.09Å; L56-L70 HydrophobicContact CD2-CG 4.47Å; L56-L70 PolarHBondContact N-O 2.74Å; L56-L70 PolarHBondContact O-N 3.25Å; L56-I77 HydrophobicContact CB-CD1 3.68Å; L56-I77 HydrophobicContact CD1-CD1 4.31Å; L56-V80 HydrophobicContact CD1-CB 4.43Å; L56-V80 HydrophobicContact CD1-CG1 3.92Å; L56-V80 HydrophobicContact CD1-CG2 3.57Å; L56-I90 HydrophobicContact CD2-CG2 4.2Å; L56-V92 HydrophobicContact CD2-CG2 3.82Å |
| 57 | H | 93.6 | Very high | 91.2 | Very high | 16 Ų | 16 | 38.9 Ų | 38.9 | 7% | 0.074 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 123.4 | 178.4 | -61 | -109.5 | 0 | 0 | 0 | 109.3 | A48 L49 Q66 | A48-H57 WeakPolarHBondContact CA-O 3.49Å; L49-H57 HydrophobicContact CB-CB 4.5Å; L49-H57 PolarHBondContact N-O 3.34Å; L49-H57 PolarHBondContact O-N 2.71Å; H57-Q66 PolarHBondContact ND1-OE1 2.95Å |
| 58 | L | 93.9 | Very high | 91 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 112 | 177.7 | -57.8 | -179 | 0 | 0 | 0 | 109.7 | W46 A48 L56 Q66 R67 L68 L70 I90 L104 | W46-L58 HydrophobicContact CE3-CB 4.04Å; W46-L58 HydrophobicContact CZ3-CB 4.24Å; A48-L58 HydrophobicContact CB-CD2 3.51Å; L56-L58 HydrophobicContact CD2-CD2 3.86Å; L56-L58 HydrophobicContact CD2-CG 4.34Å; L56-L58 HydrophobicContact CG-CD2 4.01Å; L58-Q66 WeakPolarHBondContact O-CA 3.31Å; L58-R67 PolarHBondContact O-N 3.12Å; L58-L68 HydrophobicContact CB-CB 4.19Å; L58-L68 HydrophobicContact CD1-CB 4.18Å; L58-L68 HydrophobicContact CD1-CD1 4.13Å; L58-L68 HydrophobicContact CG-CB 4.48Å; L58-L68 PolarHBondContact N-O 3.01Å; L58-L68 PolarHBondContact O-N 3.48Å; L58-L70 HydrophobicContact CD1-CD1 4.27Å; L58-I90 HydrophobicContact CD1-CD1 3.86Å; L58-I90 HydrophobicContact CD2-CD1 3.56Å; L58-I90 HydrophobicContact CG-CD1 4.39Å; L58-L104 HydrophobicContact CD1-CD1 3.93Å; L58-L104 HydrophobicContact CD1-CD2 3.63Å; L58-L104 HydrophobicContact CD1-CG 4.46Å |
| 59 | I | 93.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 122.7 | -178.4 | -63.3 | 134.7 | 0 | 0 | 0 | 108.5 | L24 L28 W46 L47 L49 K61 W64 Q66 | L24-I59 HydrophobicContact CD1-CG1 4.49Å; L24-I59 HydrophobicContact CD2-CD1 4.07Å; L24-I59 HydrophobicContact CD2-CG1 4.18Å; L24-I59 HydrophobicContact CD2-CG2 3.84Å; L28-I59 HydrophobicContact CD1-CD1 3.98Å; L28-I59 HydrophobicContact CD1-CG1 4.42Å; W46-I59 WeakPolarHBondContact CA-O 3.48Å; L47-I59 HydrophobicContact CB-CB 4.26Å; L47-I59 HydrophobicContact CD2-CD1 4.26Å; L47-I59 HydrophobicContact CG-CD1 4.4Å; L47-I59 PolarHBondContact N-O 3.26Å; L47-I59 PolarHBondContact O-N 3.17Å; L49-I59 HydrophobicContact CD1-CD1 3.57Å; L49-I59 HydrophobicContact CG-CD1 3.86Å; I59-K61 PolarHBondContact O-N 3.05Å; I59-W64 HydrophobicContact CG2-CE3 4.21Å; I59-Q66 HydrophobicContact CG1-CB 4.28Å |
| 60 | Q | 91.4 | Very high | 90.7 | Very high | 40 Ų | 40 | 45.4 Ų | 45.4 | 19% | 0.187 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 122.6 | 167.7 | -178.1 | 179.8 | -0.8 | 0 | 0 | 107.5 | W46 E62 W64 K65 R67 | W46-Q60 HydrophobicContact CE3-CB 4.5Å; W46-Q60 HydrophobicContact CZ3-CB 4.05Å; Q60-E62 VanDerWaalsContact C-N 3.26Å; Q60-E62 HydrophobicContact CG-CB 4.03Å; Q60-E62 PolarHBondContact NE2-OE2 2.87Å; Q60-E62 PolarHBondContact O-N 3.25Å; Q60-W64 VanDerWaalsContact O-CA 3.32Å; Q60-W64 WeakPolarHBondContact O-CA 3.38Å; Q60-W64 PolarHBondContact O-N 3.34Å; Q60-K65 PolarHBondContact N-O 3.49Å; Q60-K65 PolarHBondContact O-N 3.13Å; Q60-R67 HydrophobicContact CB-CG 4.01Å |
| 61 | K | 88.8 | Confident | 90.6 | Very high | 27 Ų | 27 | 50 Ų | 50 | 12% | 0.117 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -40.3 | -179.4 | -68.4 | 171.8 | 64.9 | -173.7 | 0 | 111.2 | V42 S43 K45 L47 I59 G63 W64 E340 | V42-K61 HydrophobicContact CG2-CD 4.12Å; S43-K61 WeakPolarHBondContact O-CD 3.3Å; S43-K61 PolarHBondContact O-NZ 3.48Å; K45-K61 PolarHBondContact O-N 3.47Å; L47-K61 HydrophobicContact CB-CG 4.35Å; I59-K61 PolarHBondContact O-N 3.05Å; K61-G63 PolarHBondContact O-N 2.93Å; K61-G63 VanDerWaalsContact O-N 3.1Å; K61-W64 HydrophobicContact CB-CZ3 4.42Å; K61-W64 HydrophobicContact CG-CZ3 4.27Å; K61-W64 PolarHBondContact O-N 3.28Å; K61-E340 WeakPolarHBondContact CE-OE2 3.38Å; K61-E340 IonicContact NZ-OE2 2.96Å; K61-E340 PolarHBondContact NZ-OE2 3.33Å |
| 62 | E | 84.4 | Confident | 90.6 | Very high | 150 Ų | 150 | 50.4 Ų | 50.4 | 70% | 0.701 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -62.4 | 109.7 | 172 | -175.8 | 178.4 | -146.9 | 0 | 0 | 111.1 | Q60 W64 | Q60-E62 VanDerWaalsContact C-N 3.26Å; Q60-E62 HydrophobicContact CG-CB 4.03Å; Q60-E62 PolarHBondContact NE2-OE2 2.87Å; Q60-E62 PolarHBondContact O-N 3.25Å; E62-W64 PolarHBondContact O-N 3.3Å |
| 63 | G | 82.3 | Confident | 90.4 | Very high | 55 Ų | 55 | 57.7 Ų | 57.7 | 57% | 0.567 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | 73 | 7.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | K61 K65 | K61-G63 PolarHBondContact O-N 2.93Å; K61-G63 VanDerWaalsContact O-N 3.1Å; G63-K65 VanDerWaalsContact C-N 3.3Å; G63-K65 WeakPolarHBondContact O-CG 3.46Å; G63-K65 PolarHBondContact O-N 3.41Å |
| 64 | W | 89 | Confident | 90.3 | Very high | 56 Ų | 56 | 56.2 Ų | 56.2 | 21% | 0.212 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | 53.3 | 36.5 | 177 | -60.3 | 113.5 | 0 | 0 | 0 | 115.2 | D19 L21 L24 L47 I59 Q60 K61 E62 F342 H352 | D19-W64 HydrophobicContact CB-CZ2 4.47Å; L21-W64 HydrophobicContact CD2-CD2 3.63Å; L21-W64 HydrophobicContact CD2-CE3 3.76Å; L21-W64 HydrophobicContact CD2-CG 4.17Å; L21-W64 HydrophobicContact CD2-CH2 4.2Å; L21-W64 HydrophobicContact CD2-CZ2 4.06Å; L21-W64 HydrophobicContact CD2-CZ3 4.05Å; L24-W64 WeakPolarHBondContact CD1-O 3.37Å; L24-W64 HydrophobicContact CD2-CB 4.34Å; L47-W64 HydrophobicContact CD2-CZ3 4.02Å; I59-W64 HydrophobicContact CG2-CE3 4.21Å; Q60-W64 VanDerWaalsContact O-CA 3.32Å; Q60-W64 WeakPolarHBondContact O-CA 3.38Å; Q60-W64 PolarHBondContact O-N 3.34Å; K61-W64 HydrophobicContact CB-CZ3 4.42Å; K61-W64 HydrophobicContact CG-CZ3 4.27Å; K61-W64 PolarHBondContact O-N 3.28Å; E62-W64 PolarHBondContact O-N 3.3Å; W64-F342 AromaticContact CH2-CE1 3.64Å; W64-F342 HydrophobicContact CH2-CE1 3.64Å; W64-F342 AromaticContact CH2-CZ 3.83Å; W64-F342 HydrophobicContact CH2-CZ 3.83Å; W64-F342 AromaticContact CZ3-CE1 3.94Å; W64-F342 HydrophobicContact CZ3-CE1 3.94Å; W64-F342 HydrophobicContact CZ3-CZ 4.36Å; W64-H352 AromaticContact CZ2-ND1 3.7Å |
| 65 | K | 87.4 | Confident | 90.2 | Very high | 129 Ų | 129 | 57.2 Ų | 57.2 | 56% | 0.561 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 123.7 | -175.6 | -61.4 | -175.6 | -177.6 | 172 | 0 | 111.9 | Q60 G63 R67 | Q60-K65 PolarHBondContact N-O 3.49Å; Q60-K65 PolarHBondContact O-N 3.13Å; G63-K65 VanDerWaalsContact C-N 3.3Å; G63-K65 WeakPolarHBondContact O-CG 3.46Å; G63-K65 PolarHBondContact O-N 3.41Å; K65-R67 PolarHBondContact O-N 2.88Å |
| 66 | Q | 88.4 | Confident | 90.2 | Very high | 69 Ų | 69 | 58.5 Ų | 58.5 | 32% | 0.322 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 124.1 | 167.3 | -173 | -157 | -108.8 | 0 | 0 | 109.9 | L28 H57 L58 I59 I69 | L28-Q66 HydrophobicContact CD2-CB 4.34Å; L28-Q66 HydrophobicContact CD2-CG 4.37Å; H57-Q66 PolarHBondContact ND1-OE1 2.95Å; L58-Q66 WeakPolarHBondContact O-CA 3.31Å; I59-Q66 HydrophobicContact CG1-CB 4.28Å; Q66-I69 HydrophobicContact CG-CG1 4.45Å; Q66-I69 VanDerWaalsContact OE1-CG1 3.3Å |
| 67 | R | 88.8 | Confident | 90.2 | Very high | 143 Ų | 143 | 58.5 Ų | 58.5 | 54% | 0.54 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | -40.1 | 178.3 | -64.2 | -60.8 | -169.7 | 164.1 | 3.6 | 113.3 | W46 L58 Q60 K65 | W46-R67 HydrophobicContact CH2-CB 3.81Å; W46-R67 HydrophobicContact CH2-CG 3.92Å; W46-R67 HydrophobicContact CZ3-CB 3.8Å; W46-R67 HydrophobicContact CZ3-CG 3.83Å; L58-R67 PolarHBondContact O-N 3.12Å; Q60-R67 HydrophobicContact CB-CG 4.01Å; K65-R67 PolarHBondContact O-N 2.88Å |
| 68 | L | 89.3 | Confident | 90.2 | Very high | 45 Ų | 45 | 59 Ų | 59 | 24% | 0.236 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 147.9 | -174.7 | -60.6 | 169.4 | 0 | 0 | 0 | 110.5 | L58 L104 P112 | L58-L68 HydrophobicContact CB-CB 4.19Å; L58-L68 HydrophobicContact CD1-CB 4.18Å; L58-L68 HydrophobicContact CD1-CD1 4.13Å; L58-L68 HydrophobicContact CG-CB 4.48Å; L58-L68 PolarHBondContact N-O 3.01Å; L58-L68 PolarHBondContact O-N 3.48Å; L68-L104 HydrophobicContact CD1-CD2 4.14Å; L68-P112 HydrophobicContact CD1-CG 3.96Å; L68-P112 HydrophobicContact CD2-CG 4.33Å |
| 69 | I | 91.9 | Very high | 90.3 | Very high | 82 Ų | 82 | 60.5 Ų | 60.5 | 42% | 0.421 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 119.9 | 163 | -52.9 | 176.9 | 0 | 0 | 0 | 107.3 | L56 Q66 T71 | L56-I69 CarbonylContact O-C 3.59Å; L56-I69 VanDerWaalsContact O-CA 3.29Å; L56-I69 WeakPolarHBondContact O-CA 3.5Å; Q66-I69 HydrophobicContact CG-CG1 4.45Å; Q66-I69 VanDerWaalsContact OE1-CG1 3.3Å; I69-T71 HydrophobicContact CG2-CG2 4.17Å |
| 70 | L | 92.4 | Very high | 90.4 | Very high | 11 Ų | 11 | 61.1 Ų | 61.1 | 6% | 0.058 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 134.5 | 173.2 | -47.6 | -176.5 | 0 | 0 | 0 | 108 | L56 L58 W102 L104 P112 | L56-L70 HydrophobicContact CB-CB 4.27Å; L56-L70 HydrophobicContact CD2-CB 4.46Å; L56-L70 HydrophobicContact CD2-CD1 4.09Å; L56-L70 HydrophobicContact CD2-CG 4.47Å; L56-L70 PolarHBondContact N-O 2.74Å; L56-L70 PolarHBondContact O-N 3.25Å; L58-L70 HydrophobicContact CD1-CD1 4.27Å; L70-W102 HydrophobicContact CB-CD2 4.43Å; L70-W102 HydrophobicContact CB-CH2 4.3Å; L70-W102 HydrophobicContact CB-CZ2 3.83Å; L70-W102 HydrophobicContact CD1-CB 3.97Å; L70-W102 HydrophobicContact CD1-CD2 3.59Å; L70-W102 HydrophobicContact CD1-CE3 4.04Å; L70-W102 HydrophobicContact CD1-CG 3.57Å; L70-W102 HydrophobicContact CG-CD2 4.48Å; L70-L104 HydrophobicContact CD1-CD2 3.98Å; L70-P112 HydrophobicContact CD1-CB 4.47Å; L70-P112 HydrophobicContact CD2-CB 3.74Å; L70-P112 HydrophobicContact CD2-CG 3.92Å |
| 71 | T | 91.9 | Very high | 90.6 | Very high | 96 Ų | 96 | 59.9 Ų | 59.9 | 59% | 0.589 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116 | 141.6 | -173.4 | 52.6 | 0 | 0 | 0 | 0 | 112.9 | I69 R114 | I69-T71 HydrophobicContact CG2-CG2 4.17Å; T71-R114 PolarHBondContact O-NH2 3.05Å |
| 72 | H | 91.5 | Very high | 90.9 | Very high | 10 Ų | 10 | 59.2 Ų | 59.2 | 5% | 0.046 | 30% | 0.304 | C | S | . | . | trans | -120.7 | 133.3 | 177.8 | -64.7 | -95.9 | 0 | 0 | 0 | 109 | G54 E74 T94 W102 R114 | G54-H72 WeakPolarHBondContact O-CB 3.17Å; G54-H72 PolarHBondContact O-N 2.8Å; H72-E74 VanDerWaalsContact C-N 3.35Å; H72-E74 WeakPolarHBondContact CA-OE2 3.34Å; H72-E74 VanDerWaalsContact CB-OE2 3.29Å; H72-E74 WeakPolarHBondContact CB-OE2 3.28Å; H72-E74 IonicContact CG-OE2 2.86Å; H72-E74 IonicContact ND1-OE2 3.88Å; H72-T94 HydrophobicContact CB-CG2 4.3Å; H72-W102 AromaticContact CE1-CE2 3.96Å; H72-W102 AromaticContact CE1-NE1 3.32Å; H72-W102 PolarHBondContact CE1-NE1 2.76Å; H72-W102 VanDerWaalsContact CE1-NE1 3.32Å; H72-W102 AromaticContact NE2-CE2 3.73Å; H72-W102 AromaticContact NE2-CZ2 3.82Å; H72-W102 AromaticContact NE2-NE1 3.04Å; H72-W102 PolarHBondContact NE2-NE1 3.37Å; H72-R114 PolarHBondContact ND1-NH2 3.2Å | ||
| 73 | K | 88.8 | Confident | 91.2 | Very high | 202 Ų | 202 | 52.1 Ų | 52.1 | 88% | 0.878 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -90.7 | -11.2 | 172.1 | -61.5 | -179.8 | -178.6 | 178.3 | 0 | 111.1 | G75 | K73-G75 VanDerWaalsContact C-N 3.26Å; K73-G75 PolarHBondContact O-N 3.2Å |
| 74 | E | 88.7 | Confident | 91.3 | Very high | 42 Ų | 42 | 53.8 Ų | 53.8 | 20% | 0.196 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -92 | 31.2 | -165.4 | -50 | 95.1 | 154.5 | 0 | 0 | 112.3 | H72 T94 Q96 L98 R114 | H72-E74 VanDerWaalsContact C-N 3.35Å; H72-E74 WeakPolarHBondContact CA-OE2 3.34Å; H72-E74 VanDerWaalsContact CB-OE2 3.29Å; H72-E74 WeakPolarHBondContact CB-OE2 3.28Å; H72-E74 IonicContact CG-OE2 2.86Å; H72-E74 IonicContact ND1-OE2 3.88Å; E74-T94 HydrophobicContact CB-CG2 4.34Å; E74-T94 WeakPolarHBondContact O-CB 3.3Å; E74-T94 PolarHBondContact O-OG1 2.99Å; E74-Q96 WeakPolarHBondContact O-CB 3.29Å; E74-Q96 VanDerWaalsContact O-CG 3.23Å; E74-Q96 WeakPolarHBondContact O-CG 3.42Å; E74-L98 HydrophobicContact CB-CD2 3.9Å; E74-L98 HydrophobicContact CG-CD2 3.77Å; E74-R114 IonicContact OE1-CZ 2.72Å; E74-R114 IonicContact OE1-NH1 3.03Å; E74-R114 PolarHBondContact OE1-NH1 3.3Å; E74-R114 IonicContact OE1-NH2 3.31Å; E74-R114 PolarHBondContact OE1-NH2 3.02Å; E74-R114 IonicContact OE2-NH1 2.82Å; E74-R114 IonicContact OE2-NH2 2.72Å; E74-R114 PolarHBondContact OE2-NH2 3.26Å |
| 75 | G | 89.9 | Confident | 91 | Very high | 21 Ų | 21 | 58.3 Ų | 58.3 | 22% | 0.216 | 30% | 0.295 | C | S | . | . | S | Bend | trans | 101.7 | 178.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | G54 K73 | G54-G75 WeakPolarHBondContact CA-O 3.26Å; K73-G75 VanDerWaalsContact C-N 3.26Å; K73-G75 PolarHBondContact O-N 3.2Å |
| 76 | S | 93 | Very high | 90.9 | Very high | 35 Ų | 35 | 55 Ų | 55 | 25% | 0.245 | 28% | 0.283 | C | S | . | . | trans | -60.1 | 150.1 | 169.7 | 53.5 | 0 | 0 | 0 | 0 | 111.6 | S52 T94 S95 | S52-S76 WeakPolarHBondContact O-CB 3.47Å; S76-T94 CarbonylContact O-C 3.49Å; S76-T94 VanDerWaalsContact O-CA 3.29Å; S76-T94 WeakPolarHBondContact O-CA 3.33Å; S76-S95 PolarHBondContact N-OG 3.41Å; S76-S95 VanDerWaalsContact N-OG 3.09Å; S76-S95 PolarHBondContact O-N 3.3Å; S76-S95 PolarHBondContact O-OG 3.33Å; S76-S95 WeakPolarHBondContact OG-CB 3.46Å; S76-S95 PolarHBondContact OG-OG 2.69Å | ||
| 77 | I | 95.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 133.6 | 173 | -57.2 | -176.7 | 0 | 0 | 0 | 108.7 | T38 T51 G55 L56 V80 V92 A93 | T38-I77 VanDerWaalsContact CB-O 3.3Å; T38-I77 WeakPolarHBondContact CB-O 3.36Å; T38-I77 PolarHBondContact OG1-O 2.65Å; T51-I77 PolarHBondContact O-N 2.59Å; G55-I77 WeakPolarHBondContact O-CD1 3.35Å; L56-I77 HydrophobicContact CB-CD1 3.68Å; L56-I77 HydrophobicContact CD1-CD1 4.31Å; I77-V80 HydrophobicContact CG2-CG2 3.6Å; I77-V92 HydrophobicContact CB-CG1 4.48Å; I77-V92 HydrophobicContact CD1-CG1 3.77Å; I77-V92 HydrophobicContact CG1-CG1 4.01Å; I77-V92 HydrophobicContact CG2-CG1 3.72Å; I77-A93 CarbonylContact C-O 3.56Å; I77-A93 WeakPolarHBondContact CA-O 3.38Å; I77-A93 WeakPolarHBondContact CG2-O 3.33Å |
| 78 | T | 94.1 | Very high | 90.7 | Very high | 26 Ų | 26 | 47.3 Ų | 47.3 | 16% | 0.16 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | -31.3 | -177.2 | 53.6 | 0 | 0 | 0 | 0 | 113.8 | A93 | T78-A93 PolarHBondContact N-O 3.31Å; T78-A93 PolarHBondContact OG1-O 3.38Å |
| 79 | Q | 95.3 | Very high | 90.9 | Very high | 32 Ų | 32 | 46.2 Ų | 46.2 | 15% | 0.15 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 150.9 | 171.9 | -67.8 | -69.8 | -80.7 | 0 | 0 | 109.9 | A93 T127 L129 | Q79-A93 HydrophobicContact CB-CB 4.04Å; Q79-A93 PolarHBondContact O-N 3.37Å; Q79-T127 PolarHBondContact OE1-O 3.31Å; Q79-L129 HydrophobicContact CB-CD1 3.81Å; Q79-L129 HydrophobicContact CB-CG 3.93Å |
| 80 | V | 96.6 | Very high | 91 | Very high | 12 Ų | 12 | 42.3 Ų | 42.3 | 7% | 0.073 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 146.3 | 172.4 | 178.6 | 0 | 0 | 0 | 0 | 107.8 | A41 A48 L56 I77 I90 A91 | A41-V80 HydrophobicContact CB-CB 4.18Å; A41-V80 HydrophobicContact CB-CG1 3.83Å; A48-V80 HydrophobicContact CB-CG1 4.04Å; L56-V80 HydrophobicContact CD1-CB 4.43Å; L56-V80 HydrophobicContact CD1-CG1 3.92Å; L56-V80 HydrophobicContact CD1-CG2 3.57Å; I77-V80 HydrophobicContact CG2-CG2 3.6Å; V80-I90 HydrophobicContact CG1-CG2 3.89Å; V80-A91 CarbonylContact C-O 3.53Å; V80-A91 WeakPolarHBondContact CA-O 3.18Å |
| 81 | A | 95.3 | Very high | 91.2 | Very high | 14 Ų | 14 | 41.8 Ų | 41.8 | 12% | 0.116 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 121.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | A91 L129 W131 | A81-A91 HydrophobicContact CB-CB 4.48Å; A81-A91 PolarHBondContact N-O 2.92Å; A81-A91 PolarHBondContact O-N 2.97Å; A81-L129 HydrophobicContact CB-CB 3.93Å; A81-L129 HydrophobicContact CB-CD1 4.44Å; A81-W131 PolarHBondContact O-NE1 2.93Å |
| 82 | C | 94 | Very high | 91.4 | Very high | 14 Ų | 14 | 37.2 Ų | 37.2 | 10% | 0.095 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 143.6 | 167.4 | -54.6 | 0 | 0 | 0 | 0 | 109.7 | P84 W131 | C82-P84 WeakPolarHBondContact O-CD 3.38Å; C82-W131 VanDerWaalsContact O-CD1 3.23Å; C82-W131 PolarHBondContact O-NE1 2.84Å |
| 83 | C | 91.2 | Very high | 91.6 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.007 | 19% | 0.194 | C | C | . | . | trans | -71.1 | 128.7 | 173.7 | 174.9 | 0 | 0 | 0 | 0 | 110.5 | H85 D86 F89 W131 | C83-H85 VanDerWaalsContact C-N 3.34Å; C83-H85 PolarHBondContact O-N 2.99Å; C83-D86 VanDerWaalsContact CB-O 3.25Å; C83-D86 WeakPolarHBondContact CB-O 3.07Å; C83-F89 HydrophobicContact CB-CB 4.1Å; C83-F89 WeakPolarHBondContact CB-O 3.35Å; C83-F89 PolarHBondContact N-O 3.15Å; C83-W131 HydrophobicContact CB-CD2 3.88Å; C83-W131 HydrophobicContact CB-CE3 4.22Å; C83-W131 HydrophobicContact CB-CG 4.28Å; C83-W131 HydrophobicContact CB-CH2 4.35Å; C83-W131 HydrophobicContact CB-CZ2 4.02Å; C83-W131 HydrophobicContact CB-CZ3 4.44Å | ||
| 84 | P | 84.4 | Confident | 91.9 | Very high | 89 Ų | 89 | 27.1 Ų | 27.1 | 58% | 0.578 | 15% | 0.153 | S | C | * | . | S | Bend | trans | -70.2 | -14.8 | -175.4 | -25.7 | 35 | 0 | 0 | 0 | 117.5 | C82 T133 | C82-P84 WeakPolarHBondContact O-CD 3.38Å; P84-T133 HydrophobicContact CB-CG2 4.21Å; P84-T133 HydrophobicContact CG-CG2 4.21Å |
| 85 | H | 82.4 | Confident | 92.2 | Very high | 152 Ų | 152 | 27.6 Ų | 27.6 | 70% | 0.704 | 16% | 0.16 | S | C | * | . | S | Bend | trans | -119.2 | -23.6 | -178.2 | -65.7 | -12.5 | 0 | 0 | 0 | 113.4 | C83 T133 | C83-H85 VanDerWaalsContact C-N 3.34Å; C83-H85 PolarHBondContact O-N 2.99Å; H85-T133 HydrophobicContact CB-CG2 4.11Å; H85-T133 VanDerWaalsContact CD2-CB 3.46Å; H85-T133 WeakPolarHBondContact CD2-CB 3.39Å; H85-T133 PolarHBondContact CD2-OG1 3.29Å |
| 86 | D | 86.2 | Confident | 92.3 | Very high | 59 Ų | 59 | 31.6 Ų | 31.6 | 32% | 0.316 | 17% | 0.173 | S | C | . | . | trans | -126.6 | 99.4 | -179.3 | -173.3 | -20.6 | 0 | 0 | 0 | 109 | C83 D88 F89 L136 | C83-D86 VanDerWaalsContact CB-O 3.25Å; C83-D86 WeakPolarHBondContact CB-O 3.07Å; D86-D88 PolarHBondContact O-N 3.42Å; D86-D88 PolarHBondContact OD1-N 3.41Å; D86-F89 HydrophobicContact CB-CD2 4.25Å; D86-F89 VanDerWaalsContact CG-CD2 3.46Å; D86-F89 PolarHBondContact O-N 2.91Å; D86-F89 VanDerWaalsContact OD2-CD2 3.29Å; D86-F89 WeakPolarHBondContact OD2-CD2 3.46Å; D86-F89 VanDerWaalsContact OD2-CE2 3.27Å; D86-F89 WeakPolarHBondContact OD2-CE2 3.18Å; D86-L136 HydrophobicContact CB-CD1 4.45Å | ||
| 87 | E | 84.8 | Confident | 92.2 | Very high | 27 Ų | 27 | 30 Ų | 30 | 13% | 0.126 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | 0.8 | -172.4 | -59.4 | -166.3 | 97.1 | 0 | 0 | 114.2 | S43 R44 K45 | S43-E87 WeakPolarHBondContact CB-OE1 3.45Å; S43-E87 PolarHBondContact OG-OE1 2.6Å; R44-E87 WeakPolarHBondContact CA-OE1 3.4Å; R44-E87 WeakPolarHBondContact CB-OE1 3.42Å; R44-E87 PolarHBondContact N-OE1 3.21Å; K45-E87 HydrophobicContact CD-CB 4.37Å; K45-E87 WeakPolarHBondContact CD-OE2 3.39Å; K45-E87 WeakPolarHBondContact CE-OE2 3.45Å; K45-E87 WeakPolarHBondContact CG-OE2 3.27Å; K45-E87 PolarHBondContact N-OE1 3.5Å; K45-E87 IonicContact NZ-OE2 3.36Å |
| 88 | D | 88.7 | Confident | 92.1 | Very high | 24 Ų | 24 | 31.2 Ų | 31.2 | 13% | 0.128 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -13.3 | 170.3 | -92.9 | 51.4 | 0 | 0 | 0 | 112.5 | D86 E103 L104 Q105 L106 | D86-D88 PolarHBondContact O-N 3.42Å; D86-D88 PolarHBondContact OD1-N 3.41Å; D88-E103 CarbonylContact O-C 3.6Å; D88-E103 WeakPolarHBondContact O-CA 3.37Å; D88-L104 WeakPolarHBondContact O-CG 3.43Å; D88-L104 PolarHBondContact O-N 3Å; D88-Q105 WeakPolarHBondContact OD2-CA 3.33Å; D88-Q105 PolarHBondContact OD2-N 2.89Å; D88-L106 WeakPolarHBondContact OD1-CB 3.43Å; D88-L106 VanDerWaalsContact OD1-CD1 3.25Å; D88-L106 WeakPolarHBondContact OD1-CD1 3.45Å; D88-L106 WeakPolarHBondContact OD1-CG 3.21Å; D88-L106 PolarHBondContact OD2-N 2.95Å |
| 89 | F | 91.9 | Very high | 92.1 | Very high | 21 Ų | 21 | 30 Ų | 30 | 9% | 0.092 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 125.3 | -179.8 | -68.1 | -89.6 | 0 | 0 | 0 | 114 | C83 D86 V101 W102 E103 V115 W131 L136 A152 | C83-F89 HydrophobicContact CB-CB 4.1Å; C83-F89 WeakPolarHBondContact CB-O 3.35Å; C83-F89 PolarHBondContact N-O 3.15Å; D86-F89 HydrophobicContact CB-CD2 4.25Å; D86-F89 VanDerWaalsContact CG-CD2 3.46Å; D86-F89 PolarHBondContact O-N 2.91Å; D86-F89 VanDerWaalsContact OD2-CD2 3.29Å; D86-F89 WeakPolarHBondContact OD2-CD2 3.46Å; D86-F89 VanDerWaalsContact OD2-CE2 3.27Å; D86-F89 WeakPolarHBondContact OD2-CE2 3.18Å; F89-V101 HydrophobicContact CD1-CG1 4.18Å; F89-W102 WeakPolarHBondContact CA-O 3.35Å; F89-E103 HydrophobicContact CD1-CB 4.34Å; F89-E103 HydrophobicContact CE1-CB 3.87Å; F89-E103 HydrophobicContact CE1-CG 4.11Å; F89-E103 HydrophobicContact CZ-CB 4.29Å; F89-E103 HydrophobicContact CZ-CG 4Å; F89-V115 HydrophobicContact CD1-CG2 4.29Å; F89-V115 HydrophobicContact CE1-CG2 4.07Å; F89-W131 HydrophobicContact CB-CH2 3.8Å; F89-W131 HydrophobicContact CB-CZ2 4.19Å; F89-L136 HydrophobicContact CD1-CD2 4.27Å; F89-L136 HydrophobicContact CD2-CD1 4.28Å; F89-L136 HydrophobicContact CD2-CD2 4.07Å; F89-L136 HydrophobicContact CE1-CD2 4.06Å; F89-L136 HydrophobicContact CE2-CD2 3.86Å; F89-L136 HydrophobicContact CG-CD1 4.5Å; F89-L136 HydrophobicContact CG-CD2 4.28Å; F89-L136 HydrophobicContact CZ-CD2 3.85Å; F89-A152 HydrophobicContact CD1-CB 4.1Å; F89-A152 HydrophobicContact CE1-CB 4.42Å |
| 90 | I | 94.8 | Very high | 92.1 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 129 | 177 | -57.8 | -175.8 | 0 | 0 | 0 | 110.9 | L56 L58 V80 V92 V101 W102 L104 | L56-I90 HydrophobicContact CD2-CG2 4.2Å; L58-I90 HydrophobicContact CD1-CD1 3.86Å; L58-I90 HydrophobicContact CD2-CD1 3.56Å; L58-I90 HydrophobicContact CG-CD1 4.39Å; V80-I90 HydrophobicContact CG1-CG2 3.89Å; I90-V92 HydrophobicContact CG2-CG2 4.42Å; I90-V101 WeakPolarHBondContact O-CA 3.39Å; I90-W102 PolarHBondContact N-O 3.44Å; I90-W102 VanDerWaalsContact N-O 3.07Å; I90-W102 PolarHBondContact O-N 3.34Å; I90-L104 HydrophobicContact CD1-CD1 3.94Å; I90-L104 HydrophobicContact CG1-CD1 4.4Å |
| 91 | A | 95.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 139.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | V80 A81 V101 L129 W131 V138 | V80-A91 CarbonylContact C-O 3.53Å; V80-A91 WeakPolarHBondContact CA-O 3.18Å; A81-A91 HydrophobicContact CB-CB 4.48Å; A81-A91 PolarHBondContact N-O 2.92Å; A81-A91 PolarHBondContact O-N 2.97Å; A91-V101 HydrophobicContact CB-CG2 4.48Å; A91-L129 HydrophobicContact CB-CD1 4.29Å; A91-W131 HydrophobicContact CB-CZ2 3.79Å; A91-V138 HydrophobicContact CB-CB 4.5Å; A91-V138 HydrophobicContact CB-CG1 3.94Å; A91-V138 HydrophobicContact CB-CG2 3.75Å |
| 92 | V | 96.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 131.2 | -176.2 | -175 | 0 | 0 | 0 | 0 | 109.2 | L56 I77 I90 V99 V100 | L56-V92 HydrophobicContact CD2-CG2 3.82Å; I77-V92 HydrophobicContact CB-CG1 4.48Å; I77-V92 HydrophobicContact CD1-CG1 3.77Å; I77-V92 HydrophobicContact CG1-CG1 4.01Å; I77-V92 HydrophobicContact CG2-CG1 3.72Å; I90-V92 HydrophobicContact CG2-CG2 4.42Å; V92-V99 CarbonylContact O-C 3.57Å; V92-V99 WeakPolarHBondContact O-CA 3.33Å; V92-V100 PolarHBondContact N-O 3.05Å; V92-V100 PolarHBondContact O-N 3.25Å |
| 93 | A | 96.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 141.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | I77 T78 Q79 L98 V99 I126 L129 | I77-A93 CarbonylContact C-O 3.56Å; I77-A93 WeakPolarHBondContact CA-O 3.38Å; I77-A93 WeakPolarHBondContact CG2-O 3.33Å; T78-A93 PolarHBondContact N-O 3.31Å; T78-A93 PolarHBondContact OG1-O 3.38Å; Q79-A93 HydrophobicContact CB-CB 4.04Å; Q79-A93 PolarHBondContact O-N 3.37Å; A93-L98 CarbonylContact C-O 3.59Å; A93-L98 WeakPolarHBondContact CA-O 3.32Å; A93-V99 HydrophobicContact CB-CG2 4.48Å; A93-I126 HydrophobicContact CB-CB 3.86Å; A93-I126 HydrophobicContact CB-CD1 3.77Å; A93-I126 HydrophobicContact CB-CG1 4.44Å; A93-I126 HydrophobicContact CB-CG2 3.63Å; A93-L129 HydrophobicContact CB-CD1 4.13Å; A93-L129 HydrophobicContact CB-CD2 4.46Å |
| 94 | T | 95.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 159.3 | 176.3 | 82.9 | 0 | 0 | 0 | 0 | 112.7 | H72 E74 S76 Q96 G97 L98 | H72-T94 HydrophobicContact CB-CG2 4.3Å; E74-T94 HydrophobicContact CB-CG2 4.34Å; E74-T94 WeakPolarHBondContact O-CB 3.3Å; E74-T94 PolarHBondContact O-OG1 2.99Å; S76-T94 CarbonylContact O-C 3.49Å; S76-T94 VanDerWaalsContact O-CA 3.29Å; S76-T94 WeakPolarHBondContact O-CA 3.33Å; T94-Q96 PolarHBondContact O-N 2.83Å; T94-Q96 VanDerWaalsContact O-N 3.1Å; T94-Q96 PolarHBondContact OG1-N 3.49Å; T94-G97 PolarHBondContact O-N 2.9Å; T94-L98 HydrophobicContact CG2-CB 4.47Å; T94-L98 PolarHBondContact N-O 2.95Å |
| 95 | S | 93.8 | Very high | 91.5 | Very high | 51 Ų | 51 | 26.6 Ų | 26.6 | 36% | 0.357 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -8 | 178 | 48.6 | 0 | 0 | 0 | 0 | 115.3 | S76 G97 | S76-S95 PolarHBondContact N-OG 3.41Å; S76-S95 VanDerWaalsContact N-OG 3.09Å; S76-S95 PolarHBondContact O-N 3.3Å; S76-S95 PolarHBondContact O-OG 3.33Å; S76-S95 WeakPolarHBondContact OG-CB 3.46Å; S76-S95 PolarHBondContact OG-OG 2.69Å; S95-G97 VanDerWaalsContact C-N 3.34Å |
| 96 | Q | 92.3 | Very high | 90.9 | Very high | 105 Ų | 105 | 22.2 Ų | 22.2 | 49% | 0.491 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -0.3 | 169.5 | -65.8 | -175.9 | 4.7 | 0 | 0 | 113.3 | E74 T94 R122 G123 | E74-Q96 WeakPolarHBondContact O-CB 3.29Å; E74-Q96 VanDerWaalsContact O-CG 3.23Å; E74-Q96 WeakPolarHBondContact O-CG 3.42Å; T94-Q96 PolarHBondContact O-N 2.83Å; T94-Q96 VanDerWaalsContact O-N 3.1Å; T94-Q96 PolarHBondContact OG1-N 3.49Å; Q96-R122 WeakPolarHBondContact O-CA 3.49Å; Q96-G123 PolarHBondContact O-N 3.03Å |
| 97 | G | 91.5 | Very high | 89.9 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | S | Bend | trans | 82.3 | 24.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | T94 S95 H121 R122 H124 | T94-G97 PolarHBondContact O-N 2.9Å; S95-G97 VanDerWaalsContact C-N 3.34Å; G97-H121 WeakPolarHBondContact CA-O 3.5Å; G97-H121 CarbonylContact O-C 3.52Å; G97-R122 PolarHBondContact O-N 2.82Å; G97-H124 WeakPolarHBondContact CA-O 3.47Å |
| 98 | L | 93.4 | Very high | 88.9 | Confident | 27 Ų | 27 | 36.3 Ų | 36.3 | 14% | 0.141 | 17% | 0.169 | C | C | . | . | trans | -93.6 | 138.2 | 173.3 | -164.1 | 83.6 | 0 | 0 | 0 | 110 | E74 A93 T94 V100 V117 S118 | E74-L98 HydrophobicContact CB-CD2 3.9Å; E74-L98 HydrophobicContact CG-CD2 3.77Å; A93-L98 CarbonylContact C-O 3.59Å; A93-L98 WeakPolarHBondContact CA-O 3.32Å; T94-L98 HydrophobicContact CG2-CB 4.47Å; T94-L98 PolarHBondContact N-O 2.95Å; L98-V100 HydrophobicContact CD2-CG2 3.71Å; L98-V100 HydrophobicContact CG-CG2 4.31Å; L98-V117 HydrophobicContact CD1-CG1 3.86Å; L98-V117 HydrophobicContact CD2-CG1 4.12Å; L98-V117 HydrophobicContact CG-CG1 4.1Å; L98-S118 CarbonylContact C-O 3.48Å; L98-S118 WeakPolarHBondContact CA-O 3.46Å; L98-S118 VanDerWaalsContact CD1-O 3.31Å; L98-S118 WeakPolarHBondContact CD1-O 3.44Å | ||
| 99 | V | 94.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 136.8 | 165.8 | -177.9 | 0 | 0 | 0 | 0 | 109.5 | V92 A93 V117 S118 I126 L129 V140 L150 | V92-V99 CarbonylContact O-C 3.57Å; V92-V99 WeakPolarHBondContact O-CA 3.33Å; A93-V99 HydrophobicContact CB-CG2 4.48Å; V99-V117 CarbonylContact O-C 3.37Å; V99-V117 WeakPolarHBondContact O-CA 3.01Å; V99-S118 PolarHBondContact N-O 3.43Å; V99-S118 PolarHBondContact O-N 3.18Å; V99-I126 HydrophobicContact CG2-CD1 3.54Å; V99-L129 HydrophobicContact CG2-CD2 4.47Å; V99-V140 HydrophobicContact CG1-CG2 4.31Å; V99-V140 HydrophobicContact CG2-CB 4.47Å; V99-V140 HydrophobicContact CG2-CG1 3.7Å; V99-V140 HydrophobicContact CG2-CG2 3.9Å; V99-L150 HydrophobicContact CB-CD2 4.16Å; V99-L150 HydrophobicContact CG1-CD2 3.73Å |
| 100 | V | 93.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 133.6 | 175 | -179.9 | 0 | 0 | 0 | 0 | 108.3 | V92 L98 W102 R114 S116 V117 | V92-V100 PolarHBondContact N-O 3.05Å; V92-V100 PolarHBondContact O-N 3.25Å; L98-V100 HydrophobicContact CD2-CG2 3.71Å; L98-V100 HydrophobicContact CG-CG2 4.31Å; V100-W102 HydrophobicContact CG1-CG 4.46Å; V100-R114 HydrophobicContact CG1-CB 4.15Å; V100-R114 HydrophobicContact CG1-CG 3.78Å; V100-S116 WeakPolarHBondContact CA-O 3.26Å; V100-V117 HydrophobicContact CG1-CG2 4.31Å; V100-V117 HydrophobicContact CG2-CG1 4.31Å; V100-V117 HydrophobicContact CG2-CG2 4.26Å |
| 101 | V | 93.8 | Very high | 86 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 130.9 | 165.6 | -173.3 | 0 | 0 | 0 | 0 | 108.6 | F89 I90 A91 R114 V115 S116 W131 V138 L150 A152 | F89-V101 HydrophobicContact CD1-CG1 4.18Å; I90-V101 WeakPolarHBondContact O-CA 3.39Å; A91-V101 HydrophobicContact CB-CG2 4.48Å; V101-R114 CarbonylContact O-C 3.16Å; V101-V115 HydrophobicContact CB-CG2 4.1Å; V101-V115 HydrophobicContact CG1-CG2 3.92Å; V101-V115 WeakPolarHBondContact O-CG2 3.42Å; V101-V115 PolarHBondContact O-N 3.16Å; V101-V115 VanDerWaalsContact O-N 3.1Å; V101-S116 PolarHBondContact N-O 2.94Å; V101-S116 PolarHBondContact O-N 2.86Å; V101-W131 HydrophobicContact CG1-CH2 3.79Å; V101-W131 HydrophobicContact CG1-CZ2 4.32Å; V101-V138 HydrophobicContact CG2-CG2 3.86Å; V101-L150 HydrophobicContact CG2-CD2 3.9Å; V101-L150 HydrophobicContact CG2-CG 4.37Å; V101-A152 HydrophobicContact CB-CB 4.44Å; V101-A152 HydrophobicContact CG1-CB 3.76Å |
| 102 | W | 92.9 | Very high | 85.6 | Confident | 23 Ų | 23 | 58.8 Ų | 58.8 | 9% | 0.087 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 140.8 | 173.9 | -66.9 | 95.2 | 0 | 0 | 0 | 110.5 | L70 H72 F89 I90 V100 P112 E113 R114 | L70-W102 HydrophobicContact CB-CD2 4.43Å; L70-W102 HydrophobicContact CB-CH2 4.3Å; L70-W102 HydrophobicContact CB-CZ2 3.83Å; L70-W102 HydrophobicContact CD1-CB 3.97Å; L70-W102 HydrophobicContact CD1-CD2 3.59Å; L70-W102 HydrophobicContact CD1-CE3 4.04Å; L70-W102 HydrophobicContact CD1-CG 3.57Å; L70-W102 HydrophobicContact CG-CD2 4.48Å; H72-W102 AromaticContact CE1-CE2 3.96Å; H72-W102 AromaticContact CE1-NE1 3.32Å; H72-W102 PolarHBondContact CE1-NE1 2.76Å; H72-W102 VanDerWaalsContact CE1-NE1 3.32Å; H72-W102 AromaticContact NE2-CE2 3.73Å; H72-W102 AromaticContact NE2-CZ2 3.82Å; H72-W102 AromaticContact NE2-NE1 3.04Å; H72-W102 PolarHBondContact NE2-NE1 3.37Å; F89-W102 WeakPolarHBondContact CA-O 3.35Å; I90-W102 PolarHBondContact N-O 3.44Å; I90-W102 VanDerWaalsContact N-O 3.07Å; I90-W102 PolarHBondContact O-N 3.34Å; V100-W102 HydrophobicContact CG1-CG 4.46Å; W102-P112 HydrophobicContact CE3-CB 4.12Å; W102-P112 HydrophobicContact CZ3-CB 4.43Å; W102-P112 WeakPolarHBondContact CZ3-O 3.3Å; W102-E113 VanDerWaalsContact CA-O 3.32Å; W102-E113 WeakPolarHBondContact CA-O 3.32Å; W102-R114 HydrophobicContact CD2-CG 3.82Å; W102-R114 HydrophobicContact CE3-CB 4.47Å; W102-R114 HydrophobicContact CE3-CG 3.65Å; W102-R114 HydrophobicContact CH2-CG 3.51Å; W102-R114 HydrophobicContact CZ2-CG 3.66Å; W102-R114 VanDerWaalsContact CZ2-NE 3.3Å; W102-R114 HydrophobicContact CZ3-CG 3.5Å; W102-R114 VanDerWaalsContact CZ3-CG 3.5Å |
| 103 | E | 92.1 | Very high | 85.3 | Confident | 34 Ų | 34 | 62.3 Ų | 62.3 | 16% | 0.159 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 125.5 | 162.5 | 178.7 | -170.2 | -160 | 0 | 0 | 107.1 | D88 F89 Q105 P112 E113 V115 | D88-E103 CarbonylContact O-C 3.6Å; D88-E103 WeakPolarHBondContact O-CA 3.37Å; F89-E103 HydrophobicContact CD1-CB 4.34Å; F89-E103 HydrophobicContact CE1-CB 3.87Å; F89-E103 HydrophobicContact CE1-CG 4.11Å; F89-E103 HydrophobicContact CZ-CB 4.29Å; F89-E103 HydrophobicContact CZ-CG 4Å; E103-Q105 HydrophobicContact CG-CG 3.9Å; E103-Q105 PolarHBondContact OE2-NE2 3.46Å; E103-P112 CarbonylContact O-C 3.5Å; E103-P112 WeakPolarHBondContact O-CA 3.42Å; E103-E113 PolarHBondContact N-O 3Å; E103-E113 PolarHBondContact O-N 3.47Å; E103-V115 HydrophobicContact CB-CG1 3.46Å; E103-V115 VanDerWaalsContact CB-CG1 3.46Å; E103-V115 HydrophobicContact CB-CG2 4.29Å; E103-V115 HydrophobicContact CG-CG1 4.37Å; E103-V115 WeakPolarHBondContact OE2-CG1 3.42Å |
| 104 | L | 88.8 | Confident | 84.9 | Confident | 3 Ų | 3 | 66.4 Ų | 66.4 | 2% | 0.016 | 30% | 0.297 | C | S | . | . | trans | -84.1 | -23.1 | -173.1 | -62.4 | -176.5 | 0 | 0 | 0 | 113.9 | W46 L58 L68 L70 D88 I90 L106 P112 | W46-L104 HydrophobicContact CZ2-CD1 4.49Å; L58-L104 HydrophobicContact CD1-CD1 3.93Å; L58-L104 HydrophobicContact CD1-CD2 3.63Å; L58-L104 HydrophobicContact CD1-CG 4.46Å; L68-L104 HydrophobicContact CD1-CD2 4.14Å; L70-L104 HydrophobicContact CD1-CD2 3.98Å; D88-L104 WeakPolarHBondContact O-CG 3.43Å; D88-L104 PolarHBondContact O-N 3Å; I90-L104 HydrophobicContact CD1-CD1 3.94Å; I90-L104 HydrophobicContact CG1-CD1 4.4Å; L104-L106 HydrophobicContact CB-CD2 3.8Å; L104-L106 HydrophobicContact CB-CG 3.84Å; L104-L106 HydrophobicContact CD1-CD1 4.37Å; L104-L106 HydrophobicContact CD1-CD2 4.38Å; L104-L106 PolarHBondContact O-N 2.96Å; L104-P112 HydrophobicContact CD2-CB 4.24Å; L104-P112 HydrophobicContact CD2-CG 4.28Å | ||
| 105 | Q | 82.4 | Confident | 84.5 | Confident | 31 Ų | 31 | 67.3 Ų | 67.3 | 15% | 0.145 | 30% | 0.303 | C | S | . | . | trans | 58.1 | 40.6 | 179.5 | -55.4 | -176.6 | -6.5 | 0 | 0 | 113.8 | D88 E103 R108 R109 G110 R111 E113 | D88-Q105 WeakPolarHBondContact OD2-CA 3.33Å; D88-Q105 PolarHBondContact OD2-N 2.89Å; E103-Q105 HydrophobicContact CG-CG 3.9Å; E103-Q105 PolarHBondContact OE2-NE2 3.46Å; Q105-R108 PolarHBondContact O-N 2.85Å; Q105-R109 PolarHBondContact O-N 3.39Å; Q105-G110 PolarHBondContact O-N 3.47Å; Q105-R111 PolarHBondContact OE1-O 3.48Å; Q105-E113 PolarHBondContact NE2-OE1 2.98Å | ||
| 106 | L | 69.9 | Low | 84.2 | Confident | 59 Ų | 59 | 65.7 Ų | 65.7 | 31% | 0.309 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -48 | -171.8 | -58.6 | -178.4 | 0 | 0 | 0 | 112.3 | W46 D88 L104 R108 R109 | W46-L106 HydrophobicContact CZ2-CD1 3.72Å; W46-L106 HydrophobicContact CZ2-CD2 3.88Å; W46-L106 HydrophobicContact CZ2-CG 4.5Å; D88-L106 WeakPolarHBondContact OD1-CB 3.43Å; D88-L106 VanDerWaalsContact OD1-CD1 3.25Å; D88-L106 WeakPolarHBondContact OD1-CD1 3.45Å; D88-L106 WeakPolarHBondContact OD1-CG 3.21Å; D88-L106 PolarHBondContact OD2-N 2.95Å; L104-L106 HydrophobicContact CB-CD2 3.8Å; L104-L106 HydrophobicContact CB-CG 3.84Å; L104-L106 HydrophobicContact CD1-CD1 4.37Å; L104-L106 HydrophobicContact CD1-CD2 4.38Å; L104-L106 PolarHBondContact O-N 2.96Å; L106-R108 VanDerWaalsContact C-N 3.29Å; L106-R108 PolarHBondContact O-N 3.34Å; L106-R109 PolarHBondContact O-N 2.92Å |
| 107 | E | 64 | Low | 84 | Confident | 180 Ų | 180 | 63.9 Ų | 63.9 | 84% | 0.841 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -34.3 | -179.3 | -59 | -171 | 153.8 | 0 | 0 | 112.3 | R109 | E107-R109 VanDerWaalsContact C-N 3.32Å; E107-R109 PolarHBondContact O-N 2.78Å |
| 108 | R | 64.6 | Low | 83.9 | Confident | 202 Ų | 202 | 64 Ų | 64 | 76% | 0.762 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | 1.7 | -175.9 | -61 | -178.9 | -178.5 | 167.2 | 1.8 | 113.4 | Q105 L106 G110 | Q105-R108 PolarHBondContact O-N 2.85Å; L106-R108 VanDerWaalsContact C-N 3.29Å; L106-R108 PolarHBondContact O-N 3.34Å; R108-G110 PolarHBondContact O-N 3.01Å |
| 109 | R | 62.4 | Low | 83.8 | Confident | 237 Ų | 237 | 66.1 Ų | 66.1 | 89% | 0.894 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 35.2 | -171.2 | -57.1 | -174.5 | -179.9 | -168 | 1.5 | 112.6 | Q105 L106 E107 | Q105-R109 PolarHBondContact O-N 3.39Å; L106-R109 PolarHBondContact O-N 2.92Å; E107-R109 VanDerWaalsContact C-N 3.32Å; E107-R109 PolarHBondContact O-N 2.78Å |
| 110 | G | 70.4 | Confident | 83.5 | Confident | 33 Ų | 33 | 69.5 Ų | 69.5 | 34% | 0.34 | 32% | 0.321 | S | S | . | . | trans | -77.3 | -168.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q105 R108 | Q105-G110 PolarHBondContact O-N 3.47Å; R108-G110 PolarHBondContact O-N 3.01Å | ||
| 111 | R | 81.5 | Confident | 83.4 | Confident | 217 Ų | 217 | 69.5 Ų | 69.5 | 82% | 0.819 | 32% | 0.321 | S | S | * | . | trans | -108.8 | 133.8 | 166.3 | -74.2 | -174.3 | 176.9 | -178.8 | 0.6 | 107.9 | Q105 E113 | Q105-R111 PolarHBondContact OE1-O 3.48Å; R111-E113 PolarHBondContact O-N 3.44Å | ||
| 112 | P | 88.4 | Confident | 83.3 | Confident | 31 Ų | 31 | 78.7 Ų | 78.7 | 20% | 0.201 | 36% | 0.356 | C | S | . | . | trans | -53.2 | 126.1 | 179.5 | -29.9 | 35.8 | 0 | 0 | 0 | 113 | L68 L70 W102 E103 L104 | L68-P112 HydrophobicContact CD1-CG 3.96Å; L68-P112 HydrophobicContact CD2-CG 4.33Å; L70-P112 HydrophobicContact CD1-CB 4.47Å; L70-P112 HydrophobicContact CD2-CB 3.74Å; L70-P112 HydrophobicContact CD2-CG 3.92Å; W102-P112 HydrophobicContact CE3-CB 4.12Å; W102-P112 HydrophobicContact CZ3-CB 4.43Å; W102-P112 WeakPolarHBondContact CZ3-O 3.3Å; E103-P112 CarbonylContact O-C 3.5Å; E103-P112 WeakPolarHBondContact O-CA 3.42Å; L104-P112 HydrophobicContact CD2-CB 4.24Å; L104-P112 HydrophobicContact CD2-CG 4.28Å | ||
| 113 | E | 88.4 | Confident | 83.1 | Confident | 74 Ų | 74 | 80.7 Ų | 80.7 | 35% | 0.346 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 142.3 | -179.4 | -80.2 | -163.4 | -138.2 | 0 | 0 | 111.3 | W102 E103 Q105 R111 V115 K156 | W102-E113 VanDerWaalsContact CA-O 3.32Å; W102-E113 WeakPolarHBondContact CA-O 3.32Å; E103-E113 PolarHBondContact N-O 3Å; E103-E113 PolarHBondContact O-N 3.47Å; Q105-E113 PolarHBondContact NE2-OE1 2.98Å; R111-E113 PolarHBondContact O-N 3.44Å; E113-V115 PolarHBondContact O-N 3.33Å; E113-V115 VanDerWaalsContact O-N 3.09Å; E113-K156 VanDerWaalsContact CD-NZ 3.3Å; E113-K156 IonicContact OE1-NZ 2.75Å; E113-K156 PolarHBondContact OE1-NZ 2.66Å; E113-K156 VanDerWaalsContact OE1-NZ 3.16Å; E113-K156 IonicContact OE2-NZ 2.87Å; E113-K156 PolarHBondContact OE2-NZ 3.27Å |
| 114 | R | 89.1 | Confident | 83.2 | Confident | 86 Ų | 86 | 83.1 Ų | 83.1 | 33% | 0.325 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 83.8 | 169.4 | -67 | -173.1 | 175.2 | -167.7 | -1.5 | 109.1 | T71 H72 E74 V100 V101 W102 S116 V117 | T71-R114 PolarHBondContact O-NH2 3.05Å; H72-R114 PolarHBondContact ND1-NH2 3.2Å; E74-R114 IonicContact OE1-CZ 2.72Å; E74-R114 IonicContact OE1-NH1 3.03Å; E74-R114 PolarHBondContact OE1-NH1 3.3Å; E74-R114 IonicContact OE1-NH2 3.31Å; E74-R114 PolarHBondContact OE1-NH2 3.02Å; E74-R114 IonicContact OE2-NH1 2.82Å; E74-R114 IonicContact OE2-NH2 2.72Å; E74-R114 PolarHBondContact OE2-NH2 3.26Å; V100-R114 HydrophobicContact CG1-CB 4.15Å; V100-R114 HydrophobicContact CG1-CG 3.78Å; V101-R114 CarbonylContact O-C 3.16Å; W102-R114 HydrophobicContact CD2-CG 3.82Å; W102-R114 HydrophobicContact CE3-CB 4.47Å; W102-R114 HydrophobicContact CE3-CG 3.65Å; W102-R114 HydrophobicContact CH2-CG 3.51Å; W102-R114 HydrophobicContact CZ2-CG 3.66Å; W102-R114 VanDerWaalsContact CZ2-NE 3.3Å; W102-R114 HydrophobicContact CZ3-CG 3.5Å; W102-R114 VanDerWaalsContact CZ3-CG 3.5Å; R114-S116 VanDerWaalsContact C-N 3.28Å; R114-S116 PolarHBondContact O-N 3.2Å; R114-V117 HydrophobicContact CB-CG2 4.48Å |
| 115 | V | 86.9 | Confident | 83.4 | Confident | 20 Ų | 20 | 86.5 Ų | 86.5 | 12% | 0.121 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | -26.6 | -176.8 | -73 | 0 | 0 | 0 | 0 | 114.1 | F89 V101 E103 E113 A152 | F89-V115 HydrophobicContact CD1-CG2 4.29Å; F89-V115 HydrophobicContact CE1-CG2 4.07Å; V101-V115 HydrophobicContact CB-CG2 4.1Å; V101-V115 HydrophobicContact CG1-CG2 3.92Å; V101-V115 WeakPolarHBondContact O-CG2 3.42Å; V101-V115 PolarHBondContact O-N 3.16Å; V101-V115 VanDerWaalsContact O-N 3.1Å; E103-V115 HydrophobicContact CB-CG1 3.46Å; E103-V115 VanDerWaalsContact CB-CG1 3.46Å; E103-V115 HydrophobicContact CB-CG2 4.29Å; E103-V115 HydrophobicContact CG-CG1 4.37Å; E103-V115 WeakPolarHBondContact OE2-CG1 3.42Å; E113-V115 PolarHBondContact O-N 3.33Å; E113-V115 VanDerWaalsContact O-N 3.09Å; V115-A152 WeakPolarHBondContact CG2-O 3.47Å |
| 116 | S | 86.9 | Confident | 84.1 | Confident | 17 Ų | 17 | 85 Ų | 85 | 12% | 0.119 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 143.5 | -179.4 | -75.5 | 0 | 0 | 0 | 0 | 112.2 | V100 V101 R114 R151 | V100-S116 WeakPolarHBondContact CA-O 3.26Å; V101-S116 PolarHBondContact N-O 2.94Å; V101-S116 PolarHBondContact O-N 2.86Å; R114-S116 VanDerWaalsContact C-N 3.28Å; R114-S116 PolarHBondContact O-N 3.2Å; S116-R151 WeakPolarHBondContact CB-O 3.31Å; S116-R151 PolarHBondContact OG-O 2.87Å |
| 117 | V | 89.4 | Confident | 85.3 | Confident | 67 Ų | 67 | 83 Ų | 83 | 41% | 0.406 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 135.7 | -177.5 | -178.7 | 0 | 0 | 0 | 0 | 109.5 | L98 V99 V100 R114 | L98-V117 HydrophobicContact CD1-CG1 3.86Å; L98-V117 HydrophobicContact CD2-CG1 4.12Å; L98-V117 HydrophobicContact CG-CG1 4.1Å; V99-V117 CarbonylContact O-C 3.37Å; V99-V117 WeakPolarHBondContact O-CA 3.01Å; V100-V117 HydrophobicContact CG1-CG2 4.31Å; V100-V117 HydrophobicContact CG2-CG1 4.31Å; V100-V117 HydrophobicContact CG2-CG2 4.26Å; R114-V117 HydrophobicContact CB-CG2 4.48Å |
| 118 | S | 89.8 | Confident | 86.8 | Confident | 2 Ų | 2 | 74.7 Ų | 74.7 | 1% | 0.014 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 136.3 | 177 | 178.1 | 0 | 0 | 0 | 0 | 111.7 | L98 V99 E120 I168 | L98-S118 CarbonylContact C-O 3.48Å; L98-S118 WeakPolarHBondContact CA-O 3.46Å; L98-S118 VanDerWaalsContact CD1-O 3.31Å; L98-S118 WeakPolarHBondContact CD1-O 3.44Å; V99-S118 PolarHBondContact N-O 3.43Å; V99-S118 PolarHBondContact O-N 3.18Å; S118-E120 VanDerWaalsContact OG-CB 3.31Å; S118-E120 WeakPolarHBondContact OG-CB 3.45Å; S118-E120 PolarHBondContact OG-N 2.78Å; S118-I168 WeakPolarHBondContact OG-CD1 3.28Å |
| 119 | S | 89.5 | Confident | 88.3 | Confident | 72 Ų | 72 | 66 Ų | 66 | 50% | 0.503 | 33% | 0.327 | S | S | . | . | trans | -112.6 | 16.2 | 172.2 | 53.3 | 0 | 0 | 0 | 0 | 112.4 | H121 R122 | S119-H121 PolarHBondContact O-N 3.27Å; S119-H121 VanDerWaalsContact O-N 3.1Å; S119-R122 WeakPolarHBondContact O-CB 3.15Å; S119-R122 PolarHBondContact O-N 3.07Å | ||
| 120 | E | 89 | Confident | 89.8 | Confident | 71 Ų | 71 | 55.6 Ų | 55.6 | 33% | 0.332 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -18.3 | -173.2 | -171.5 | 59.4 | -163 | 0 | 0 | 114.3 | S118 K146 I168 T170 | S118-E120 VanDerWaalsContact OG-CB 3.31Å; S118-E120 WeakPolarHBondContact OG-CB 3.45Å; S118-E120 PolarHBondContact OG-N 2.78Å; E120-K146 PolarHBondContact O-NZ 2.84Å; E120-K146 VanDerWaalsContact OE1-CE 3.24Å; E120-K146 WeakPolarHBondContact OE1-CE 3.36Å; E120-K146 IonicContact OE1-NZ 2.73Å; E120-K146 PolarHBondContact OE1-NZ 2.68Å; E120-I168 HydrophobicContact CB-CG2 3.83Å; E120-I168 HydrophobicContact CG-CG2 3.75Å; E120-T170 PolarHBondContact OE1-OG1 2.84Å |
| 121 | H | 91.1 | Very high | 90.9 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111 | 12.7 | 177.4 | -62.3 | -84.9 | 0 | 0 | 0 | 112.7 | G97 S119 G123 H124 I126 D142 K146 S148 | G97-H121 WeakPolarHBondContact CA-O 3.5Å; G97-H121 CarbonylContact O-C 3.52Å; S119-H121 PolarHBondContact O-N 3.27Å; S119-H121 VanDerWaalsContact O-N 3.1Å; H121-G123 PolarHBondContact O-N 2.89Å; H121-H124 WeakPolarHBondContact O-CB 3.47Å; H121-H124 PolarHBondContact O-N 2.93Å; H121-I126 HydrophobicContact CB-CD1 4.32Å; H121-I126 HydrophobicContact CB-CG1 4.02Å; H121-D142 IonicContact CE1-OD2 3.53Å; H121-D142 IonicContact CG-OD2 3.05Å; H121-D142 IonicContact ND1-OD2 3.07Å; H121-D142 PolarHBondContact ND1-OD2 2.99Å; H121-K146 PolarHBondContact CE1-O 3.02Å; H121-S148 PolarHBondContact NE2-OG 2.72Å |
| 122 | R | 91.9 | Very high | 91.4 | Very high | 193 Ų | 193 | 44.5 Ų | 44.5 | 73% | 0.728 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | 130.6 | -174.1 | -176.2 | 179.3 | -173.9 | -171.1 | 2 | 112.3 | Q96 G97 S119 H124 | Q96-R122 WeakPolarHBondContact O-CA 3.49Å; G97-R122 PolarHBondContact O-N 2.82Å; S119-R122 WeakPolarHBondContact O-CB 3.15Å; S119-R122 PolarHBondContact O-N 3.07Å; R122-H124 VanDerWaalsContact C-N 3.3Å; R122-H124 PolarHBondContact O-ND1 3.32Å |
| 123 | G | 89.4 | Confident | 91.3 | Very high | 65 Ų | 65 | 45.2 Ų | 45.2 | 67% | 0.67 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85.1 | -7.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q96 H121 | Q96-G123 PolarHBondContact O-N 3.03Å; H121-G123 PolarHBondContact O-N 2.89Å |
| 124 | H | 93.5 | Very high | 91 | Very high | 84 Ų | 84 | 46.3 Ų | 46.3 | 39% | 0.389 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -111.9 | 150.9 | 176.4 | -52.7 | 98.8 | 0 | 0 | 0 | 110.4 | G97 H121 R122 D142 V144 | G97-H124 WeakPolarHBondContact CA-O 3.47Å; H121-H124 WeakPolarHBondContact O-CB 3.47Å; H121-H124 PolarHBondContact O-N 2.93Å; R122-H124 VanDerWaalsContact C-N 3.3Å; R122-H124 PolarHBondContact O-ND1 3.32Å; H124-D142 HydrophobicContact CB-CB 4.46Å; H124-V144 HydrophobicContact CB-CG2 4.38Å; H124-V144 WeakPolarHBondContact CD2-CG2 3.5Å |
| 125 | N | 93.6 | Very high | 90.8 | Very high | 74 Ų | 74 | 44.9 Ų | 44.9 | 40% | 0.396 | 26% | 0.258 | S | S | . | . | trans | -82.7 | 126.3 | 179.5 | -172.3 | 29.8 | 0 | 0 | 0 | 109.9 | D142 S143 | N125-D142 CarbonylContact O-C 3.49Å; N125-D142 WeakPolarHBondContact O-CA 3.35Å; N125-D142 WeakPolarHBondContact O-CB 3.5Å; N125-S143 PolarHBondContact N-OG 3.11Å; N125-S143 PolarHBondContact O-N 3.2Å; N125-S143 PolarHBondContact O-OG 3.1Å | ||
| 126 | I | 96 | Very high | 90.9 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 126.1 | 174.7 | -65.6 | 154.7 | 0 | 0 | 0 | 108.4 | A93 V99 H121 L129 V140 | A93-I126 HydrophobicContact CB-CB 3.86Å; A93-I126 HydrophobicContact CB-CD1 3.77Å; A93-I126 HydrophobicContact CB-CG1 4.44Å; A93-I126 HydrophobicContact CB-CG2 3.63Å; V99-I126 HydrophobicContact CG2-CD1 3.54Å; H121-I126 HydrophobicContact CB-CD1 4.32Å; H121-I126 HydrophobicContact CB-CG1 4.02Å; I126-L129 HydrophobicContact CG2-CD2 4.09Å; I126-V140 HydrophobicContact CD1-CG1 4.41Å; I126-V140 HydrophobicContact CG1-CG1 4.12Å; I126-V140 HydrophobicContact CG2-CG1 3.78Å |
| 127 | T | 94.9 | Very high | 91.1 | Very high | 15 Ų | 15 | 46.9 Ų | 46.9 | 9% | 0.092 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | -20.5 | -169.2 | 55.9 | 0 | 0 | 0 | 0 | 113.6 | Q79 G141 R177 V178 | Q79-T127 PolarHBondContact OE1-O 3.31Å; T127-G141 PolarHBondContact N-O 3.31Å; T127-G141 PolarHBondContact OG1-O 2.96Å; T127-R177 HydrophobicContact CG2-CG 4.28Å; T127-V178 VanDerWaalsContact CB-O 3.23Å; T127-V178 WeakPolarHBondContact CB-O 3.43Å; T127-V178 PolarHBondContact OG1-O 3Å |
| 128 | A | 95.2 | Very high | 91.3 | Very high | 6 Ų | 6 | 43.7 Ų | 43.7 | 5% | 0.05 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 142.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | G141 V178 L181 | A128-G141 PolarHBondContact N-O 3.47Å; A128-G141 PolarHBondContact O-N 2.71Å; A128-V178 HydrophobicContact CB-CG1 4.19Å; A128-L181 HydrophobicContact CB-CB 4.19Å; A128-L181 HydrophobicContact CB-CD1 4.16Å; A128-L181 HydrophobicContact CB-CG 3.81Å |
| 129 | L | 96.1 | Very high | 91.5 | Very high | 21 Ų | 21 | 43.6 Ų | 43.6 | 11% | 0.11 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 143.4 | 167.8 | -63.8 | 176.3 | 0 | 0 | 0 | 108.6 | Q79 A81 A91 A93 V99 I126 V138 F139 V140 | Q79-L129 HydrophobicContact CB-CD1 3.81Å; Q79-L129 HydrophobicContact CB-CG 3.93Å; A81-L129 HydrophobicContact CB-CB 3.93Å; A81-L129 HydrophobicContact CB-CD1 4.44Å; A91-L129 HydrophobicContact CB-CD1 4.29Å; A93-L129 HydrophobicContact CB-CD1 4.13Å; A93-L129 HydrophobicContact CB-CD2 4.46Å; V99-L129 HydrophobicContact CG2-CD2 4.47Å; I126-L129 HydrophobicContact CG2-CD2 4.09Å; L129-V138 HydrophobicContact CB-CG1 4.42Å; L129-V138 HydrophobicContact CD2-CG1 4.1Å; L129-F139 CarbonylContact C-O 3.58Å; L129-F139 WeakPolarHBondContact CA-O 3.48Å; L129-V140 HydrophobicContact CD2-CB 4.33Å; L129-V140 HydrophobicContact CD2-CG1 4.08Å; L129-V140 HydrophobicContact CD2-CG2 3.96Å |
| 130 | C | 94.7 | Very high | 91.9 | Very high | 18 Ų | 18 | 40.2 Ų | 40.2 | 12% | 0.122 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 139.6 | 174.9 | -172.8 | 0 | 0 | 0 | 0 | 110.9 | V138 F139 L181 G182 Y183 | C130-V138 CarbonylContact O-C 3.58Å; C130-V138 WeakPolarHBondContact O-CA 3.37Å; C130-F139 PolarHBondContact N-O 3.32Å; C130-F139 PolarHBondContact O-N 2.92Å; C130-L181 HydrophobicContact CB-CB 3.67Å; C130-G182 VanDerWaalsContact SG-C 3.58Å; C130-G182 VanDerWaalsContact SG-CA 3.56Å; C130-Y183 PolarHBondContact SG-N 3.13Å; C130-Y183 VanDerWaalsContact SG-N 3.37Å |
| 131 | W | 93.9 | Very high | 92.2 | Very high | 17 Ų | 17 | 36.9 Ų | 36.9 | 6% | 0.064 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 136.1 | -179.5 | -80.8 | 100.9 | 0 | 0 | 0 | 112.4 | A81 C82 C83 F89 A91 V101 L136 V138 A152 | A81-W131 PolarHBondContact O-NE1 2.93Å; C82-W131 VanDerWaalsContact O-CD1 3.23Å; C82-W131 PolarHBondContact O-NE1 2.84Å; C83-W131 HydrophobicContact CB-CD2 3.88Å; C83-W131 HydrophobicContact CB-CE3 4.22Å; C83-W131 HydrophobicContact CB-CG 4.28Å; C83-W131 HydrophobicContact CB-CH2 4.35Å; C83-W131 HydrophobicContact CB-CZ2 4.02Å; C83-W131 HydrophobicContact CB-CZ3 4.44Å; F89-W131 HydrophobicContact CB-CH2 3.8Å; F89-W131 HydrophobicContact CB-CZ2 4.19Å; A91-W131 HydrophobicContact CB-CZ2 3.79Å; V101-W131 HydrophobicContact CG1-CH2 3.79Å; V101-W131 HydrophobicContact CG1-CZ2 4.32Å; W131-L136 HydrophobicContact CZ3-CD1 4.38Å; W131-L136 HydrophobicContact CZ3-CG 4.39Å; W131-V138 HydrophobicContact CD2-CG2 3.87Å; W131-V138 HydrophobicContact CE3-CG2 3.73Å; W131-V138 HydrophobicContact CH2-CG2 3.54Å; W131-V138 HydrophobicContact CZ2-CG2 3.68Å; W131-V138 HydrophobicContact CZ3-CG2 3.56Å; W131-A152 HydrophobicContact CH2-CB 4.1Å; W131-A152 HydrophobicContact CZ3-CB 4.06Å |
| 132 | D | 91.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 108.9 | 153.8 | 171.8 | -3 | 0 | 0 | 0 | 107.8 | S134 T135 L136 R137 F139 Y183 | D132-S134 PolarHBondContact OD1-N 2.75Å; D132-S134 PolarHBondContact OD1-OG 2.7Å; D132-S134 VanDerWaalsContact OD1-OG 3.05Å; D132-T135 VanDerWaalsContact CG-OG1 3.25Å; D132-T135 PolarHBondContact OD1-N 2.92Å; D132-T135 VanDerWaalsContact OD1-N 3.16Å; D132-T135 PolarHBondContact OD2-OG1 3.07Å; D132-L136 WeakPolarHBondContact O-CA 3.47Å; D132-L136 PolarHBondContact O-N 3.46Å; D132-R137 HydrophobicContact CB-CG 3.69Å; D132-R137 PolarHBondContact N-O 2.97Å; D132-R137 PolarHBondContact O-N 3.39Å; D132-R137 VanDerWaalsContact O-N 3.12Å; D132-R137 IonicContact OD2-CZ 3.14Å; D132-R137 IonicContact OD2-NE 3.18Å; D132-R137 PolarHBondContact OD2-NE 2.93Å; D132-R137 IonicContact OD2-NH2 2.62Å; D132-R137 PolarHBondContact OD2-NH2 3.13Å; D132-F139 HydrophobicContact CB-CE2 3.91Å; D132-Y183 HydrophobicContact CB-CD1 3.7Å; D132-Y183 HydrophobicContact CB-CE1 3.44Å; D132-Y183 VanDerWaalsContact CB-CE1 3.44Å; D132-Y183 HydrophobicContact CB-CE2 4.49Å; D132-Y183 HydrophobicContact CB-CG 4.31Å; D132-Y183 VanDerWaalsContact CG-CZ 3.43Å; D132-Y183 VanDerWaalsContact OD1-CE1 3.31Å; D132-Y183 WeakPolarHBondContact OD1-CE1 3.25Å; D132-Y183 PolarHBondContact OD2-OH 3.15Å |
| 133 | T | 85.8 | Confident | 92.6 | Very high | 45 Ų | 45 | 29.7 Ų | 29.7 | 28% | 0.276 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -20.2 | -178.8 | 49.4 | 0 | 0 | 0 | 0 | 113.6 | P84 H85 | P84-T133 HydrophobicContact CB-CG2 4.21Å; P84-T133 HydrophobicContact CG-CG2 4.21Å; H85-T133 HydrophobicContact CB-CG2 4.11Å; H85-T133 VanDerWaalsContact CD2-CB 3.46Å; H85-T133 WeakPolarHBondContact CD2-CB 3.39Å; H85-T133 PolarHBondContact CD2-OG1 3.29Å |
| 134 | S | 84.1 | Confident | 92.8 | Very high | 98 Ų | 98 | 30.6 Ų | 30.6 | 69% | 0.685 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -26.9 | -176.6 | 70.4 | 0 | 0 | 0 | 0 | 113 | D132 | D132-S134 PolarHBondContact OD1-N 2.75Å; D132-S134 PolarHBondContact OD1-OG 2.7Å; D132-S134 VanDerWaalsContact OD1-OG 3.05Å |
| 135 | T | 84.5 | Confident | 92.8 | Very high | 55 Ų | 55 | 26.7 Ų | 26.7 | 34% | 0.337 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | 1.6 | 174.9 | 69.7 | 0 | 0 | 0 | 0 | 114.4 | D132 R137 | D132-T135 VanDerWaalsContact CG-OG1 3.25Å; D132-T135 PolarHBondContact OD1-N 2.92Å; D132-T135 VanDerWaalsContact OD1-N 3.16Å; D132-T135 PolarHBondContact OD2-OG1 3.07Å; T135-R137 VanDerWaalsContact OG1-CD 3.28Å; T135-R137 WeakPolarHBondContact OG1-CD 3.4Å; T135-R137 WeakPolarHBondContact OG1-CG 3.49Å; T135-R137 PolarHBondContact OG1-NE 2.91Å |
| 136 | L | 88.7 | Confident | 92.9 | Very high | 36 Ų | 36 | 25.5 Ų | 25.5 | 19% | 0.188 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 63.3 | -177.3 | -156.1 | 78.9 | 0 | 0 | 0 | 112.4 | D86 F89 W131 D132 A152 | D86-L136 HydrophobicContact CB-CD1 4.45Å; F89-L136 HydrophobicContact CD1-CD2 4.27Å; F89-L136 HydrophobicContact CD2-CD1 4.28Å; F89-L136 HydrophobicContact CD2-CD2 4.07Å; F89-L136 HydrophobicContact CE1-CD2 4.06Å; F89-L136 HydrophobicContact CE2-CD2 3.86Å; F89-L136 HydrophobicContact CG-CD1 4.5Å; F89-L136 HydrophobicContact CG-CD2 4.28Å; F89-L136 HydrophobicContact CZ-CD2 3.85Å; W131-L136 HydrophobicContact CZ3-CD1 4.38Å; W131-L136 HydrophobicContact CZ3-CG 4.39Å; D132-L136 WeakPolarHBondContact O-CA 3.47Å; D132-L136 PolarHBondContact O-N 3.46Å; L136-A152 HydrophobicContact CD2-CB 4.1Å; L136-A152 HydrophobicContact CG-CB 4.04Å; L136-A152 WeakPolarHBondContact O-CB 3.5Å; L136-A152 PolarHBondContact O-N 2.88Å |
| 137 | R | 90.3 | Very high | 92.8 | Very high | 44 Ų | 44 | 25.4 Ų | 25.4 | 17% | 0.166 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 155.5 | 177 | 66.9 | -175.8 | 168.8 | 168.5 | -1.8 | 112 | D132 T135 L150 R151 Y183 T201 | D132-R137 HydrophobicContact CB-CG 3.69Å; D132-R137 PolarHBondContact N-O 2.97Å; D132-R137 PolarHBondContact O-N 3.39Å; D132-R137 VanDerWaalsContact O-N 3.12Å; D132-R137 IonicContact OD2-CZ 3.14Å; D132-R137 IonicContact OD2-NE 3.18Å; D132-R137 PolarHBondContact OD2-NE 2.93Å; D132-R137 IonicContact OD2-NH2 2.62Å; D132-R137 PolarHBondContact OD2-NH2 3.13Å; T135-R137 VanDerWaalsContact OG1-CD 3.28Å; T135-R137 WeakPolarHBondContact OG1-CD 3.4Å; T135-R137 WeakPolarHBondContact OG1-CG 3.49Å; T135-R137 PolarHBondContact OG1-NE 2.91Å; R137-L150 CarbonylContact C-O 3.56Å; R137-L150 VanDerWaalsContact CA-O 3.31Å; R137-L150 WeakPolarHBondContact CA-O 3.14Å; R137-L150 WeakPolarHBondContact CB-O 3.5Å; R137-R151 HydrophobicContact CB-CB 4.4Å; R137-R151 HydrophobicContact CB-CG 4.43Å; R137-Y183 PolarHBondContact NH2-OH 3.05Å; R137-T201 PolarHBondContact NH2-OG1 3.21Å |
| 138 | V | 93.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 124.5 | 179.6 | -172.9 | 0 | 0 | 0 | 0 | 109 | A91 V101 L129 C130 W131 V140 C149 L150 | A91-V138 HydrophobicContact CB-CB 4.5Å; A91-V138 HydrophobicContact CB-CG1 3.94Å; A91-V138 HydrophobicContact CB-CG2 3.75Å; V101-V138 HydrophobicContact CG2-CG2 3.86Å; L129-V138 HydrophobicContact CB-CG1 4.42Å; L129-V138 HydrophobicContact CD2-CG1 4.1Å; C130-V138 CarbonylContact O-C 3.58Å; C130-V138 WeakPolarHBondContact O-CA 3.37Å; W131-V138 HydrophobicContact CD2-CG2 3.87Å; W131-V138 HydrophobicContact CE3-CG2 3.73Å; W131-V138 HydrophobicContact CH2-CG2 3.54Å; W131-V138 HydrophobicContact CZ2-CG2 3.68Å; W131-V138 HydrophobicContact CZ3-CG2 3.56Å; V138-V140 HydrophobicContact CG1-CG2 4.34Å; V138-C149 CarbonylContact O-C 3.5Å; V138-C149 VanDerWaalsContact O-CA 3.23Å; V138-C149 WeakPolarHBondContact O-CA 3.44Å; V138-L150 PolarHBondContact N-O 3.34Å; V138-L150 PolarHBondContact O-N 3.14Å |
| 139 | F | 95.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 138.3 | 164.7 | -64.6 | -75.7 | 0 | 0 | 0 | 110.6 | L129 C130 D132 S148 C149 V171 L181 Y183 L188 T201 | L129-F139 CarbonylContact C-O 3.58Å; L129-F139 WeakPolarHBondContact CA-O 3.48Å; C130-F139 PolarHBondContact N-O 3.32Å; C130-F139 PolarHBondContact O-N 2.92Å; D132-F139 HydrophobicContact CB-CE2 3.91Å; F139-S148 CarbonylContact C-O 3.49Å; F139-S148 WeakPolarHBondContact CA-O 3.24Å; F139-C149 HydrophobicContact CD1-CB 3.53Å; F139-C149 HydrophobicContact CE1-CB 3.62Å; F139-C149 HydrophobicContact CG-CB 4.41Å; F139-V171 HydrophobicContact CD1-CG2 4.17Å; F139-V171 HydrophobicContact CE1-CG2 4Å; F139-L181 HydrophobicContact CB-CD1 4.09Å; F139-Y183 HydrophobicContact CD2-CD2 4.2Å; F139-Y183 HydrophobicContact CD2-CG 4.44Å; F139-Y183 AromaticContact CE2-CD2 3.44Å; F139-Y183 HydrophobicContact CE2-CD2 3.44Å; F139-Y183 VanDerWaalsContact CE2-CD2 3.44Å; F139-Y183 AromaticContact CE2-CE2 3.69Å; F139-Y183 HydrophobicContact CE2-CE2 3.69Å; F139-Y183 AromaticContact CE2-CG 3.97Å; F139-Y183 HydrophobicContact CE2-CG 3.97Å; F139-Y183 HydrophobicContact CZ-CD2 4.16Å; F139-Y183 HydrophobicContact CZ-CE2 4.06Å; F139-L188 HydrophobicContact CB-CD1 3.95Å; F139-L188 HydrophobicContact CD1-CD1 4.19Å; F139-L188 HydrophobicContact CD1-CD2 3.61Å; F139-L188 HydrophobicContact CD1-CG 4.49Å; F139-L188 HydrophobicContact CD2-CD1 3.75Å; F139-L188 HydrophobicContact CE1-CD2 3.84Å; F139-L188 HydrophobicContact CE2-CD1 4.24Å; F139-L188 HydrophobicContact CG-CD1 3.7Å; F139-L188 HydrophobicContact CG-CD2 4.01Å; F139-L188 HydrophobicContact CG-CG 4.47Å; F139-L188 HydrophobicContact CZ-CD2 4.41Å; F139-T201 HydrophobicContact CZ-CG2 4.12Å |
| 140 | V | 96.4 | Very high | 92.3 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.006 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 126.8 | -172.5 | -174 | 0 | 0 | 0 | 0 | 108.5 | V99 I126 L129 V138 V147 S148 | V99-V140 HydrophobicContact CG1-CG2 4.31Å; V99-V140 HydrophobicContact CG2-CB 4.47Å; V99-V140 HydrophobicContact CG2-CG1 3.7Å; V99-V140 HydrophobicContact CG2-CG2 3.9Å; I126-V140 HydrophobicContact CD1-CG1 4.41Å; I126-V140 HydrophobicContact CG1-CG1 4.12Å; I126-V140 HydrophobicContact CG2-CG1 3.78Å; L129-V140 HydrophobicContact CD2-CB 4.33Å; L129-V140 HydrophobicContact CD2-CG1 4.08Å; L129-V140 HydrophobicContact CD2-CG2 3.96Å; V138-V140 HydrophobicContact CG1-CG2 4.34Å; V140-V147 CarbonylContact O-C 3.52Å; V140-V147 VanDerWaalsContact O-CA 3.25Å; V140-V147 WeakPolarHBondContact O-CA 3.48Å; V140-S148 PolarHBondContact N-O 2.86Å; V140-S148 PolarHBondContact O-N 2.91Å |
| 141 | G | 95.9 | Very high | 92 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 141.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | T127 A128 | T127-G141 PolarHBondContact N-O 3.31Å; T127-G141 PolarHBondContact OG1-O 2.96Å; A128-G141 PolarHBondContact N-O 3.47Å; A128-G141 PolarHBondContact O-N 2.71Å |
| 142 | D | 95.9 | Very high | 91.2 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 177.5 | -175.4 | 76.4 | 18.2 | 0 | 0 | 0 | 116.1 | H121 H124 N125 V144 G145 K146 V178 | H121-D142 IonicContact CE1-OD2 3.53Å; H121-D142 IonicContact CG-OD2 3.05Å; H121-D142 IonicContact ND1-OD2 3.07Å; H121-D142 PolarHBondContact ND1-OD2 2.99Å; H124-D142 HydrophobicContact CB-CB 4.46Å; N125-D142 CarbonylContact O-C 3.49Å; N125-D142 WeakPolarHBondContact O-CA 3.35Å; N125-D142 WeakPolarHBondContact O-CB 3.5Å; D142-V144 PolarHBondContact O-N 3.39Å; D142-V144 WeakPolarHBondContact OD1-CA 3.4Å; D142-V144 PolarHBondContact OD1-N 3.11Å; D142-G145 PolarHBondContact O-N 2.93Å; D142-G145 PolarHBondContact OD1-N 3.24Å; D142-K146 PolarHBondContact N-O 3Å; D142-K146 PolarHBondContact OD1-N 2.97Å; D142-K146 WeakPolarHBondContact OD2-CB 3.49Å; D142-V178 PolarHBondContact O-N 3.32Å |
| 143 | S | 95.6 | Very high | 90 | Very high | 42 Ų | 42 | 29.9 Ų | 29.9 | 29% | 0.294 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -66.4 | -12.1 | 179.2 | 58.6 | 0 | 0 | 0 | 0 | 115.4 | N125 R177 | N125-S143 PolarHBondContact N-OG 3.11Å; N125-S143 PolarHBondContact O-N 3.2Å; N125-S143 PolarHBondContact O-OG 3.1Å; S143-R177 WeakPolarHBondContact O-CB 3.22Å |
| 144 | V | 94.5 | Very high | 88.3 | Confident | 85 Ų | 85 | 29.9 Ų | 29.9 | 52% | 0.515 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -98.8 | -27.2 | 178.2 | -176.7 | 0 | 0 | 0 | 0 | 111.1 | H124 D142 | H124-V144 HydrophobicContact CB-CG2 4.38Å; H124-V144 WeakPolarHBondContact CD2-CG2 3.5Å; D142-V144 PolarHBondContact O-N 3.39Å; D142-V144 WeakPolarHBondContact OD1-CA 3.4Å; D142-V144 PolarHBondContact OD1-N 3.11Å |
| 145 | G | 92.9 | Very high | 86.5 | Confident | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | S | Bend | trans | 114 | 4.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | D142 T173 V174 S176 | D142-G145 PolarHBondContact O-N 2.93Å; D142-G145 PolarHBondContact OD1-N 3.24Å; G145-T173 CarbonylContact O-C 3.49Å; G145-T173 WeakPolarHBondContact O-CA 3.37Å; G145-V174 VanDerWaalsContact O-CG2 3.22Å; G145-V174 WeakPolarHBondContact O-CG2 3.49Å; G145-V174 PolarHBondContact O-N 2.88Å; G145-S176 WeakPolarHBondContact CA-O 3.34Å |
| 146 | K | 94.6 | Very high | 84.6 | Confident | 49 Ų | 49 | 35.1 Ų | 35.1 | 21% | 0.213 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 136.1 | 175.9 | -170.5 | -179.8 | -179 | 179.9 | 0 | 109.4 | E120 H121 D142 T170 T173 | E120-K146 PolarHBondContact O-NZ 2.84Å; E120-K146 VanDerWaalsContact OE1-CE 3.24Å; E120-K146 WeakPolarHBondContact OE1-CE 3.36Å; E120-K146 IonicContact OE1-NZ 2.73Å; E120-K146 PolarHBondContact OE1-NZ 2.68Å; H121-K146 PolarHBondContact CE1-O 3.02Å; D142-K146 PolarHBondContact N-O 3Å; D142-K146 PolarHBondContact OD1-N 2.97Å; D142-K146 WeakPolarHBondContact OD2-CB 3.49Å; K146-T170 WeakPolarHBondContact CE-OG1 3.29Å; K146-T170 HydrophobicContact CG-CG2 4.44Å; K146-T173 HydrophobicContact CB-CG2 4.37Å; K146-T173 HydrophobicContact CG-CG2 4.23Å |
| 147 | V | 94.6 | Very high | 82.2 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 119.3 | 174.5 | -176.8 | 0 | 0 | 0 | 0 | 109.1 | V140 V171 T172 V178 L188 V190 | V140-V147 CarbonylContact O-C 3.52Å; V140-V147 VanDerWaalsContact O-CA 3.25Å; V140-V147 WeakPolarHBondContact O-CA 3.48Å; V147-V171 HydrophobicContact CG1-CB 4.47Å; V147-V171 PolarHBondContact O-N 3.05Å; V147-T172 HydrophobicContact CB-CG2 3.99Å; V147-T172 HydrophobicContact CG2-CG2 4.18Å; V147-T172 PolarHBondContact N-O 3.28Å; V147-T172 PolarHBondContact O-N 3.17Å; V147-T172 VanDerWaalsContact O-N 3.17Å; V147-V178 HydrophobicContact CG2-CG2 4.02Å; V147-L188 HydrophobicContact CG1-CD2 3.97Å; V147-V190 HydrophobicContact CG2-CG1 3.96Å; V147-V190 HydrophobicContact CG2-CG2 4.35Å |
| 148 | S | 93.4 | Very high | 79.6 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 167.9 | 173 | 73 | 0 | 0 | 0 | 0 | 111.4 | H121 F139 V140 Q169 | H121-S148 PolarHBondContact NE2-OG 2.72Å; F139-S148 CarbonylContact C-O 3.49Å; F139-S148 WeakPolarHBondContact CA-O 3.24Å; V140-S148 PolarHBondContact N-O 2.86Å; V140-S148 PolarHBondContact O-N 2.91Å; S148-Q169 CarbonylContact C-O 3.54Å; S148-Q169 VanDerWaalsContact CA-O 3.26Å; S148-Q169 WeakPolarHBondContact CA-O 3.41Å; S148-Q169 WeakPolarHBondContact CB-O 3.47Å |
| 149 | C | 91.5 | Very high | 77 | Confident | 10 Ų | 10 | 52.5 Ų | 52.5 | 7% | 0.068 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 149.1 | 163.3 | 74.6 | 0 | 0 | 0 | 0 | 110.7 | V138 F139 I168 Q169 V171 | V138-C149 CarbonylContact O-C 3.5Å; V138-C149 VanDerWaalsContact O-CA 3.23Å; V138-C149 WeakPolarHBondContact O-CA 3.44Å; F139-C149 HydrophobicContact CD1-CB 3.53Å; F139-C149 HydrophobicContact CE1-CB 3.62Å; F139-C149 HydrophobicContact CG-CB 4.41Å; C149-I168 VanDerWaalsContact O-CA 3.27Å; C149-I168 WeakPolarHBondContact O-CA 3.43Å; C149-Q169 PolarHBondContact N-O 3.03Å; C149-Q169 PolarHBondContact O-N 2.87Å; C149-V171 HydrophobicContact CB-CG2 4.06Å |
| 150 | L | 90.7 | Very high | 74.2 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 116.8 | 177.5 | 172.9 | 60.6 | 0 | 0 | 0 | 108.4 | V99 V101 R137 V138 P167 I168 | V99-L150 HydrophobicContact CB-CD2 4.16Å; V99-L150 HydrophobicContact CG1-CD2 3.73Å; V101-L150 HydrophobicContact CG2-CD2 3.9Å; V101-L150 HydrophobicContact CG2-CG 4.37Å; R137-L150 CarbonylContact C-O 3.56Å; R137-L150 VanDerWaalsContact CA-O 3.31Å; R137-L150 WeakPolarHBondContact CA-O 3.14Å; R137-L150 WeakPolarHBondContact CB-O 3.5Å; V138-L150 PolarHBondContact N-O 3.34Å; V138-L150 PolarHBondContact O-N 3.14Å; L150-P167 WeakPolarHBondContact CA-O 3.36Å; L150-P167 WeakPolarHBondContact CD1-O 3.37Å; L150-I168 HydrophobicContact CD1-CG1 3.83Å |
| 151 | R | 87.9 | Confident | 71.2 | Confident | 125 Ų | 125 | 59.6 Ų | 59.6 | 47% | 0.472 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 143 | 175.2 | -160.8 | 175.2 | -173.2 | -168.4 | -2 | 110 | S116 R137 P167 | S116-R151 WeakPolarHBondContact CB-O 3.31Å; S116-R151 PolarHBondContact OG-O 2.87Å; R137-R151 HydrophobicContact CB-CB 4.4Å; R137-R151 HydrophobicContact CB-CG 4.43Å; R151-P167 PolarHBondContact N-O 3.49Å |
| 152 | A | 77.9 | Confident | 68.1 | Low | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 39% | 0.385 | C | S | . | . | trans | -96.4 | -15.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | F89 V101 V115 W131 L136 S154 | F89-A152 HydrophobicContact CD1-CB 4.1Å; F89-A152 HydrophobicContact CE1-CB 4.42Å; V101-A152 HydrophobicContact CB-CB 4.44Å; V101-A152 HydrophobicContact CG1-CB 3.76Å; V115-A152 WeakPolarHBondContact CG2-O 3.47Å; W131-A152 HydrophobicContact CH2-CB 4.1Å; W131-A152 HydrophobicContact CZ3-CB 4.06Å; L136-A152 HydrophobicContact CD2-CB 4.1Å; L136-A152 HydrophobicContact CG-CB 4.04Å; L136-A152 WeakPolarHBondContact O-CB 3.5Å; L136-A152 PolarHBondContact O-N 2.88Å; A152-S154 PolarHBondContact O-N 3.06Å | ||
| 153 | G | 65.4 | Low | 65.3 | Low | 36 Ų | 36 | 66.1 Ų | 66.1 | 37% | 0.371 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -61.8 | 131.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | S155 | G153-S155 PolarHBondContact O-N 2.95Š|
| 154 | S | 49.9 | Very low | 62.5 | Low | 44 Ų | 44 | 67.1 Ų | 67.1 | 31% | 0.308 | 40% | 0.401 | S | S | . | . | trans | -60.9 | 127.8 | -176.3 | -173.5 | 0 | 0 | 0 | 0 | 113 | A152 K156 L157 | A152-S154 PolarHBondContact O-N 3.06Å; S154-K156 PolarHBondContact O-N 3.43Å; S154-K156 PolarHBondContact OG-N 2.99Å; S154-L157 PolarHBondContact O-N 3.06Å | ||
| 155 | S | 46.1 | Very low | 59.9 | Low | 124 Ų | 124 | 68.1 Ų | 68.1 | 87% | 0.867 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | 1.7 | 173.6 | 57.9 | 0 | 0 | 0 | 0 | 114.4 | G153 | G153-S155 PolarHBondContact O-N 2.95Š|
| 156 | K | 46.5 | Very low | 57.6 | Low | 139 Ų | 139 | 75 Ų | 75 | 60% | 0.604 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -16 | 175.4 | -56 | 174.7 | -169.3 | 167.9 | 0 | 113.1 | E113 S154 G158 | E113-K156 VanDerWaalsContact CD-NZ 3.3Å; E113-K156 IonicContact OE1-NZ 2.75Å; E113-K156 PolarHBondContact OE1-NZ 2.66Å; E113-K156 VanDerWaalsContact OE1-NZ 3.16Å; E113-K156 IonicContact OE2-NZ 2.87Å; E113-K156 PolarHBondContact OE2-NZ 3.27Å; S154-K156 PolarHBondContact O-N 3.43Å; S154-K156 PolarHBondContact OG-N 2.99Å; K156-G158 PolarHBondContact O-N 2.77Å |
| 157 | L | 37.3 | Very low | 55.7 | Low | 161 Ų | 161 | 75.9 Ų | 75.9 | 84% | 0.843 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -82.6 | 95.9 | -176.8 | -171 | 67.9 | 0 | 0 | 0 | 111.5 | S154 | S154-L157 PolarHBondContact O-N 3.06Š|
| 158 | G | 35.7 | Very low | 54.2 | Low | 52 Ų | 52 | 77.8 Ų | 77.8 | 54% | 0.536 | 45% | 0.452 | S | S | . | . | trans | 108 | 98.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | K156 G160 | K156-G158 PolarHBondContact O-N 2.77Å; G158-G160 PolarHBondContact O-N 2.91Å | ||
| 159 | K | 38.5 | Very low | 53.3 | Low | 232 Ų | 232 | 82.4 Ų | 82.4 | 100% | 1.009 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | 69.7 | 158.5 | -72.2 | 178.8 | 176.8 | 174.6 | 0 | 109.6 | ||
| 160 | G | 37 | Very low | 52.9 | Low | 74 Ų | 74 | 84.6 Ų | 84.6 | 76% | 0.763 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -162.8 | -35.2 | -175 | 0 | 0 | 0 | 0 | 0 | 116.1 | G158 A162 | G158-G160 PolarHBondContact O-N 2.91Å; G160-A162 PolarHBondContact O-N 2.86Å |
| 161 | S | 32.2 | Very low | 52.6 | Low | 77 Ų | 77 | 86.1 Ų | 86.1 | 54% | 0.538 | 50% | 0.496 | S | S | . | . | trans | -100.4 | 71.4 | -177.9 | 49.3 | 0 | 0 | 0 | 0 | 112.7 | F163 | S161-F163 PolarHBondContact O-N 2.94Š| ||
| 162 | A | 32.4 | Very low | 52.6 | Low | 80 Ų | 80 | 81.6 Ų | 81.6 | 66% | 0.661 | 48% | 0.483 | S | S | * | . | trans | -73.7 | 51.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113 | G160 | G160-A162 PolarHBondContact O-N 2.86Š| ||
| 163 | F | 35.8 | Very low | 53.2 | Low | 58 Ų | 58 | 86.3 Ų | 86.3 | 25% | 0.254 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -114.1 | 138.1 | 169 | -76.8 | -94.5 | 0 | 0 | 0 | 108.1 | S161 I165 M1095 I1096 M1099 | S161-F163 PolarHBondContact O-N 2.94Å; F163-I165 VanDerWaalsContact C-N 3.29Å; F163-I165 PolarHBondContact O-N 3.47Å; F163-M1095 HydrophobicContact CE1-CB 3.99Å; F163-M1095 HydrophobicContact CE1-CG 3.73Å; F163-M1095 HydrophobicContact CE1-SD 3.7Å; F163-M1095 HydrophobicContact CZ-CB 4.08Å; F163-M1095 HydrophobicContact CZ-CG 4.27Å; F163-M1095 HydrophobicContact CZ-SD 4.16Å; F163-I1096 HydrophobicContact CE1-CG1 4.41Å; F163-I1096 HydrophobicContact CE2-CD1 4.32Å; F163-I1096 HydrophobicContact CE2-CG1 3.5Å; F163-I1096 HydrophobicContact CZ-CB 4.33Å; F163-I1096 HydrophobicContact CZ-CG1 3.43Å; F163-I1096 VanDerWaalsContact CZ-CG1 3.43Å; F163-M1099 HydrophobicContact CB-CE 4.36Å; F163-M1099 HydrophobicContact CB-SD 4.1Å; F163-M1099 HydrophobicContact CD1-CB 4.3Å; F163-M1099 HydrophobicContact CD1-CE 3.99Å; F163-M1099 HydrophobicContact CD1-CG 3.57Å; F163-M1099 HydrophobicContact CD1-SD 3.76Å; F163-M1099 HydrophobicContact CE1-CB 4.46Å; F163-M1099 HydrophobicContact CE1-CG 3.94Å; F163-M1099 HydrophobicContact CG-SD 4.36Å |
| 164 | V | 36.7 | Very low | 54.4 | Low | 63 Ų | 63 | 85.4 Ų | 85.4 | 38% | 0.382 | 50% | 0.499 | S | S | . | . | trans | -72.9 | 86.7 | -180 | -176.3 | 0 | 0 | 0 | 0 | 109.9 | F166 M1099 C1103 | V164-F166 VanDerWaalsContact C-N 3.32Å; V164-F166 HydrophobicContact CB-CE2 4.39Å; V164-F166 HydrophobicContact CG1-CD1 4.28Å; V164-F166 HydrophobicContact CG1-CD2 4Å; V164-F166 HydrophobicContact CG1-CE1 4.15Å; V164-F166 HydrophobicContact CG1-CE2 3.86Å; V164-F166 HydrophobicContact CG1-CG 4.21Å; V164-F166 HydrophobicContact CG1-CZ 3.93Å; V164-F166 WeakPolarHBondContact O-CD2 3.37Å; V164-F166 PolarHBondContact O-N 3.42Å; V164-M1099 HydrophobicContact CB-SD 4.13Å; V164-M1099 HydrophobicContact CG2-SD 4.29Å; V164-M1099 PolarHBondContact N-SD 2.86Å; V164-C1103 WeakPolarHBondContact CG2-SG 3.48Å | ||
| 165 | I | 40.4 | Very low | 56.3 | Low | 106 Ų | 106 | 86.8 Ų | 86.8 | 54% | 0.544 | 50% | 0.503 | S | S | . | . | trans | -66.6 | 98.7 | 157.3 | -57.6 | 176.8 | 0 | 0 | 0 | 105.6 | F163 P167 | F163-I165 VanDerWaalsContact C-N 3.29Å; F163-I165 PolarHBondContact O-N 3.47Å; I165-P167 VanDerWaalsContact O-CD 3.32Å; I165-P167 WeakPolarHBondContact O-CD 3.39Å; I165-P167 VanDerWaalsContact O-N 3.14Å | ||
| 166 | F | 44.3 | Very low | 58.6 | Low | 146 Ų | 146 | 81.9 Ų | 81.9 | 64% | 0.64 | 47% | 0.468 | S | S | * | . | trans | -58.2 | 117.4 | 166.4 | -68.7 | -89.9 | 0 | 0 | 0 | 106.9 | V164 I168 | V164-F166 VanDerWaalsContact C-N 3.32Å; V164-F166 HydrophobicContact CB-CE2 4.39Å; V164-F166 HydrophobicContact CG1-CD1 4.28Å; V164-F166 HydrophobicContact CG1-CD2 4Å; V164-F166 HydrophobicContact CG1-CE1 4.15Å; V164-F166 HydrophobicContact CG1-CE2 3.86Å; V164-F166 HydrophobicContact CG1-CG 4.21Å; V164-F166 HydrophobicContact CG1-CZ 3.93Å; V164-F166 WeakPolarHBondContact O-CD2 3.37Å; V164-F166 PolarHBondContact O-N 3.42Å; F166-I168 PolarHBondContact O-N 3.24Å; F166-I168 VanDerWaalsContact O-N 3.11Å | ||
| 167 | P | 56.1 | Low | 60.9 | Low | 67 Ų | 67 | 79.5 Ų | 79.5 | 44% | 0.435 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -68.6 | -12.9 | -176.3 | 28.6 | -35.1 | 0 | 0 | 0 | 111.9 | L150 R151 I165 | L150-P167 WeakPolarHBondContact CA-O 3.36Å; L150-P167 WeakPolarHBondContact CD1-O 3.37Å; R151-P167 PolarHBondContact N-O 3.49Å; I165-P167 VanDerWaalsContact O-CD 3.32Å; I165-P167 WeakPolarHBondContact O-CD 3.39Å; I165-P167 VanDerWaalsContact O-N 3.14Å |
| 168 | I | 62.9 | Low | 63.8 | Low | 40 Ų | 40 | 71.8 Ų | 71.8 | 21% | 0.205 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 130.2 | -176.6 | -57.2 | 152.4 | 0 | 0 | 0 | 108.2 | S118 E120 C149 L150 F166 | S118-I168 WeakPolarHBondContact OG-CD1 3.28Å; E120-I168 HydrophobicContact CB-CG2 3.83Å; E120-I168 HydrophobicContact CG-CG2 3.75Å; C149-I168 VanDerWaalsContact O-CA 3.27Å; C149-I168 WeakPolarHBondContact O-CA 3.43Å; L150-I168 HydrophobicContact CD1-CG1 3.83Å; F166-I168 PolarHBondContact O-N 3.24Å; F166-I168 VanDerWaalsContact O-N 3.11Å |
| 169 | Q | 74.8 | Confident | 66.6 | Low | 96 Ų | 96 | 69.7 Ų | 69.7 | 45% | 0.449 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 126.4 | 170.2 | -178.1 | -177.2 | -5.1 | 0 | 0 | 108.8 | S148 C149 V171 E204 | S148-Q169 CarbonylContact C-O 3.54Å; S148-Q169 VanDerWaalsContact CA-O 3.26Å; S148-Q169 WeakPolarHBondContact CA-O 3.41Å; S148-Q169 WeakPolarHBondContact CB-O 3.47Å; C149-Q169 PolarHBondContact N-O 3.03Å; C149-Q169 PolarHBondContact O-N 2.87Å; Q169-V171 PolarHBondContact O-N 2.91Å; Q169-E204 PolarHBondContact NE2-OE1 2.72Å |
| 170 | T | 82.5 | Confident | 69.3 | Low | 57 Ų | 57 | 59.6 Ų | 59.6 | 35% | 0.35 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 119.4 | 166.1 | -76.8 | 0 | 0 | 0 | 0 | 108 | E120 K146 | E120-T170 PolarHBondContact OE1-OG1 2.84Å; K146-T170 WeakPolarHBondContact CE-OG1 3.29Å; K146-T170 HydrophobicContact CG-CG2 4.44Å |
| 171 | V | 85.2 | Confident | 72.1 | Confident | 31 Ų | 31 | 56.6 Ų | 56.6 | 19% | 0.188 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | -45.4 | -176.8 | -179.9 | 0 | 0 | 0 | 0 | 110.1 | F139 V147 C149 Q169 L188 F206 | F139-V171 HydrophobicContact CD1-CG2 4.17Å; F139-V171 HydrophobicContact CE1-CG2 4Å; V147-V171 HydrophobicContact CG1-CB 4.47Å; V147-V171 PolarHBondContact O-N 3.05Å; C149-V171 HydrophobicContact CB-CG2 4.06Å; Q169-V171 PolarHBondContact O-N 2.91Å; V171-L188 HydrophobicContact CG1-CD2 4.23Å; V171-F206 HydrophobicContact CG1-CE1 4.4Å; V171-F206 HydrophobicContact CG1-CZ 4.19Å; V171-F206 WeakPolarHBondContact O-CZ 3.47Å |
| 172 | T | 87.6 | Confident | 75 | Confident | 31 Ų | 31 | 53.5 Ų | 53.5 | 19% | 0.19 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165 | 170.8 | 178.2 | -163.4 | 0 | 0 | 0 | 0 | 111.8 | V147 V174 F206 | V147-T172 HydrophobicContact CB-CG2 3.99Å; V147-T172 HydrophobicContact CG2-CG2 4.18Å; V147-T172 PolarHBondContact N-O 3.28Å; V147-T172 PolarHBondContact O-N 3.17Å; V147-T172 VanDerWaalsContact O-N 3.17Å; T172-V174 HydrophobicContact CG2-CG1 4.37Å; T172-F206 VanDerWaalsContact CB-CE1 3.44Å; T172-F206 HydrophobicContact CG2-CD1 4.37Å; T172-F206 HydrophobicContact CG2-CE1 3.7Å; T172-F206 HydrophobicContact CG2-CZ 4.42Å |
| 173 | T | 90.5 | Very high | 77.9 | Confident | 98 Ų | 98 | 51.6 Ų | 51.6 | 60% | 0.601 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 112.8 | 166.3 | 50.7 | 0 | 0 | 0 | 0 | 107.9 | G145 K146 | G145-T173 CarbonylContact O-C 3.49Å; G145-T173 WeakPolarHBondContact O-CA 3.37Å; K146-T173 HydrophobicContact CB-CG2 4.37Å; K146-T173 HydrophobicContact CG-CG2 4.23Å |
| 174 | V | 90.6 | Very high | 80.4 | Confident | 17 Ų | 17 | 50.3 Ų | 50.3 | 10% | 0.103 | 27% | 0.266 | C | S | . | . | trans | -81.1 | 170.4 | 170.4 | -64.7 | 0 | 0 | 0 | 0 | 110.6 | G145 T172 S176 V178 V190 Y197 | G145-V174 VanDerWaalsContact O-CG2 3.22Å; G145-V174 WeakPolarHBondContact O-CG2 3.49Å; G145-V174 PolarHBondContact O-N 2.88Å; T172-V174 HydrophobicContact CG2-CG1 4.37Å; V174-S176 VanDerWaalsContact C-N 3.33Å; V174-S176 WeakPolarHBondContact CG2-O 3.3Å; V174-S176 PolarHBondContact O-N 3.17Å; V174-V178 HydrophobicContact CG2-CG2 4.14Å; V174-V190 HydrophobicContact CG1-CG1 4Å; V174-V190 HydrophobicContact CG2-CG1 4.26Å; V174-Y197 HydrophobicContact CB-CD2 4.27Å; V174-Y197 HydrophobicContact CB-CE2 3.82Å; V174-Y197 HydrophobicContact CG1-CD2 3.56Å; V174-Y197 HydrophobicContact CG1-CE2 3.57Å; V174-Y197 HydrophobicContact CG1-CG 4.13Å | ||
| 175 | D | 88.9 | Confident | 82.6 | Confident | 73 Ų | 73 | 52.4 Ų | 52.4 | 39% | 0.39 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -79 | -8.4 | -170.8 | 65.3 | -11.9 | 0 | 0 | 0 | 115.4 | S194 R195 | D175-S194 PolarHBondContact OD1-OG 2.89Å; D175-S194 PolarHBondContact OD2-OG 3.11Å; D175-R195 WeakPolarHBondContact OD2-CD 3.34Å; D175-R195 IonicContact OD2-CZ 2.65Å; D175-R195 VanDerWaalsContact OD2-CZ 3.26Å; D175-R195 IonicContact OD2-NE 3.93Å; D175-R195 IonicContact OD2-NH1 3.19Å; D175-R195 PolarHBondContact OD2-NH1 2.88Å |
| 176 | S | 94.6 | Very high | 84.7 | Confident | 21 Ų | 21 | 48 Ų | 48 | 15% | 0.147 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -160 | 161.4 | -171 | 58.8 | 0 | 0 | 0 | 0 | 111.1 | G145 V174 V178 S192 L193 S194 | G145-S176 WeakPolarHBondContact CA-O 3.34Å; V174-S176 VanDerWaalsContact C-N 3.33Å; V174-S176 WeakPolarHBondContact CG2-O 3.3Å; V174-S176 PolarHBondContact O-N 3.17Å; S176-V178 PolarHBondContact O-N 2.86Å; S176-S192 WeakPolarHBondContact OG-CB 3.48Å; S176-S192 PolarHBondContact OG-OG 3.32Å; S176-L193 PolarHBondContact OG-N 2.86Å; S176-S194 PolarHBondContact OG-N 2.88Å; S176-S194 PolarHBondContact OG-OG 2.92Å |
| 177 | R | 95.7 | Very high | 86.9 | Confident | 89 Ų | 89 | 43.4 Ų | 43.4 | 34% | 0.336 | 23% | 0.233 | S | C | . | . | trans | -42.1 | 131 | 178.6 | 166.7 | 162.8 | 167.2 | -122 | -13.8 | 112.4 | T127 S143 S192 L193 E217 | T127-R177 HydrophobicContact CG2-CG 4.28Å; S143-R177 WeakPolarHBondContact O-CB 3.22Å; R177-S192 WeakPolarHBondContact O-CA 3.39Å; R177-L193 HydrophobicContact CB-CD1 3.9Å; R177-L193 HydrophobicContact CB-CG 4.15Å; R177-L193 PolarHBondContact O-N 2.88Å; R177-E217 IonicContact CZ-OE1 3.2Å; R177-E217 IonicContact NH1-OE1 3.62Å; R177-E217 PolarHBondContact NH1-OE1 3.37Å; R177-E217 IonicContact NH2-OE1 2.81Å; R177-E217 PolarHBondContact NH2-OE1 3.47Å | ||
| 178 | V | 96.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 133.6 | 170.2 | -174.5 | 0 | 0 | 0 | 0 | 109.2 | T127 A128 D142 V147 V174 S176 L181 V190 | T127-V178 VanDerWaalsContact CB-O 3.23Å; T127-V178 WeakPolarHBondContact CB-O 3.43Å; T127-V178 PolarHBondContact OG1-O 3Å; A128-V178 HydrophobicContact CB-CG1 4.19Å; D142-V178 PolarHBondContact O-N 3.32Å; V147-V178 HydrophobicContact CG2-CG2 4.02Å; V174-V178 HydrophobicContact CG2-CG2 4.14Å; S176-V178 PolarHBondContact O-N 2.86Å; V178-L181 HydrophobicContact CG1-CD2 3.92Å; V178-L181 HydrophobicContact CG1-CG 4.06Å; V178-V190 HydrophobicContact CG1-CG1 4.37Å; V178-V190 HydrophobicContact CG2-CG1 4.29Å |
| 179 | V | 95.3 | Very high | 90.1 | Very high | 8 Ų | 8 | 38.3 Ų | 38.3 | 5% | 0.048 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | -40.8 | 178.5 | -177.7 | 0 | 0 | 0 | 0 | 110.5 | S191 L193 E217 P294 | V179-S191 PolarHBondContact N-O 3.17Å; V179-L193 HydrophobicContact CG2-CD2 3.76Å; V179-L193 HydrophobicContact CG2-CG 4.27Å; V179-E217 HydrophobicContact CG1-CB 4.16Å; V179-E217 HydrophobicContact CG2-CG 4.45Å; V179-P294 WeakPolarHBondContact CG1-O 3.29Å |
| 180 | Q | 95.8 | Very high | 91.1 | Very high | 19 Ų | 19 | 33.9 Ų | 33.9 | 9% | 0.089 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 146.1 | -179.1 | -172.5 | 172.9 | 7.1 | 0 | 0 | 110.8 | S191 A220 L296 | Q180-S191 PolarHBondContact N-O 2.89Å; Q180-S191 VanDerWaalsContact O-CB 3.25Å; Q180-S191 WeakPolarHBondContact O-CB 3.33Å; Q180-S191 PolarHBondContact O-N 3.39Å; Q180-A220 PolarHBondContact NE2-O 3.36Å; Q180-A220 PolarHBondContact OE1-O 3.31Å; Q180-L296 PolarHBondContact NE2-O 3.03Å; Q180-L296 PolarHBondContact OE1-O 3Å |
| 181 | L | 96 | Very high | 91.8 | Very high | 12 Ų | 12 | 31.2 Ų | 31.2 | 6% | 0.063 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 151.9 | 167.9 | -66.9 | 178.9 | 0 | 0 | 0 | 110 | A128 C130 F139 V178 L188 L189 V190 | A128-L181 HydrophobicContact CB-CB 4.19Å; A128-L181 HydrophobicContact CB-CD1 4.16Å; A128-L181 HydrophobicContact CB-CG 3.81Å; C130-L181 HydrophobicContact CB-CB 3.67Å; F139-L181 HydrophobicContact CB-CD1 4.09Å; V178-L181 HydrophobicContact CG1-CD2 3.92Å; V178-L181 HydrophobicContact CG1-CG 4.06Å; L181-L188 HydrophobicContact CD2-CD1 4.44Å; L181-L189 WeakPolarHBondContact CA-O 3.23Å; L181-V190 HydrophobicContact CD2-CB 4.15Å; L181-V190 HydrophobicContact CD2-CG1 3.96Å; L181-V190 HydrophobicContact CD2-CG2 3.85Å |
| 182 | G | 93.2 | Very high | 92.2 | Very high | 11 Ų | 11 | 29.7 Ų | 29.7 | 11% | 0.113 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 149.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | C130 L189 | C130-G182 VanDerWaalsContact SG-C 3.58Å; C130-G182 VanDerWaalsContact SG-CA 3.56Å; G182-L189 PolarHBondContact N-O 3.09Å; G182-L189 PolarHBondContact O-N 3.24Å |
| 183 | Y | 91.7 | Very high | 92.6 | Very high | 40 Ų | 40 | 30.6 Ų | 30.6 | 16% | 0.157 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 133.7 | 179.9 | -177.2 | -98.5 | 0 | 0 | 0 | 110.9 | C130 D132 R137 F139 G186 R187 L188 T201 | C130-Y183 PolarHBondContact SG-N 3.13Å; C130-Y183 VanDerWaalsContact SG-N 3.37Å; D132-Y183 HydrophobicContact CB-CD1 3.7Å; D132-Y183 HydrophobicContact CB-CE1 3.44Å; D132-Y183 VanDerWaalsContact CB-CE1 3.44Å; D132-Y183 HydrophobicContact CB-CE2 4.49Å; D132-Y183 HydrophobicContact CB-CG 4.31Å; D132-Y183 VanDerWaalsContact CG-CZ 3.43Å; D132-Y183 VanDerWaalsContact OD1-CE1 3.31Å; D132-Y183 WeakPolarHBondContact OD1-CE1 3.25Å; D132-Y183 PolarHBondContact OD2-OH 3.15Å; R137-Y183 PolarHBondContact NH2-OH 3.05Å; F139-Y183 HydrophobicContact CD2-CD2 4.2Å; F139-Y183 HydrophobicContact CD2-CG 4.44Å; F139-Y183 AromaticContact CE2-CD2 3.44Å; F139-Y183 HydrophobicContact CE2-CD2 3.44Å; F139-Y183 VanDerWaalsContact CE2-CD2 3.44Å; F139-Y183 AromaticContact CE2-CE2 3.69Å; F139-Y183 HydrophobicContact CE2-CE2 3.69Å; F139-Y183 AromaticContact CE2-CG 3.97Å; F139-Y183 HydrophobicContact CE2-CG 3.97Å; F139-Y183 HydrophobicContact CZ-CD2 4.16Å; F139-Y183 HydrophobicContact CZ-CE2 4.06Å; Y183-G186 WeakPolarHBondContact OH-CA 3.43Å; Y183-R187 WeakPolarHBondContact CA-O 3.43Å; Y183-R187 WeakPolarHBondContact CD2-O 3.19Å; Y183-L188 HydrophobicContact CD2-CB 4.2Å; Y183-T201 HydrophobicContact CE2-CG2 4.1Å |
| 184 | Q | 88.1 | Confident | 92.7 | Very high | 32 Ų | 32 | 27 Ų | 27 | 15% | 0.15 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 143.7 | 174.1 | -157 | -171.6 | -66.9 | 0 | 0 | 109.4 | G186 R187 F222 | Q184-G186 PolarHBondContact O-N 3.09Å; Q184-R187 PolarHBondContact N-O 2.8Å; Q184-R187 WeakPolarHBondContact O-CA 3.49Å; Q184-R187 WeakPolarHBondContact O-CB 3.32Å; Q184-R187 PolarHBondContact O-N 3.35Å; Q184-F222 HydrophobicContact CB-CB 4.16Å; Q184-F222 HydrophobicContact CB-CD2 3.54Å; Q184-F222 HydrophobicContact CB-CE2 3.98Å; Q184-F222 HydrophobicContact CB-CG 3.84Å; Q184-F222 VanDerWaalsContact OE1-CB 3.27Å |
| 185 | D | 83.1 | Confident | 92.8 | Very high | 106 Ų | 106 | 29.4 Ų | 29.4 | 57% | 0.567 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 45.4 | 53.4 | 169.6 | -49.3 | -36.4 | 0 | 0 | 0 | 114.5 | R187 F251 | D185-R187 VanDerWaalsContact C-N 3.25Å; D185-R187 PolarHBondContact O-N 3.03Å; D185-F251 HydrophobicContact CB-CE2 4.38Å |
| 186 | G | 86.1 | Confident | 93.1 | Very high | 13 Ų | 13 | 26 Ų | 26 | 13% | 0.134 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | 2.2 | 179 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y183 Q184 T201 | Y183-G186 WeakPolarHBondContact OH-CA 3.43Å; Q184-G186 PolarHBondContact O-N 3.09Å; G186-T201 WeakPolarHBondContact O-CB 3.46Å; G186-T201 PolarHBondContact O-N 3.45Å; G186-T201 PolarHBondContact O-OG1 2.75Å |
| 187 | R | 89.3 | Confident | 93 | Very high | 50 Ų | 50 | 26.9 Ų | 26.9 | 19% | 0.189 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 132.8 | -168.5 | -64.2 | 152.3 | 176.4 | -91.6 | 17.7 | 113.2 | Y183 Q184 D185 L198 C199 F222 F251 | Y183-R187 WeakPolarHBondContact CA-O 3.43Å; Y183-R187 WeakPolarHBondContact CD2-O 3.19Å; Q184-R187 PolarHBondContact N-O 2.8Å; Q184-R187 WeakPolarHBondContact O-CA 3.49Å; Q184-R187 WeakPolarHBondContact O-CB 3.32Å; Q184-R187 PolarHBondContact O-N 3.35Å; D185-R187 VanDerWaalsContact C-N 3.25Å; D185-R187 PolarHBondContact O-N 3.03Å; R187-L198 HydrophobicContact CB-CD1 4.08Å; R187-C199 CarbonylContact C-O 3.58Å; R187-C199 WeakPolarHBondContact CA-O 3.44Å; R187-F222 HydrophobicContact CB-CZ 4.3Å; R187-F251 PolarHBondContact NH1-O 3.47Å |
| 188 | L | 92.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 119 | 179 | 177.5 | 67.2 | 0 | 0 | 0 | 110.4 | F139 V147 V171 L181 Y183 V190 C199 T201 | F139-L188 HydrophobicContact CB-CD1 3.95Å; F139-L188 HydrophobicContact CD1-CD1 4.19Å; F139-L188 HydrophobicContact CD1-CD2 3.61Å; F139-L188 HydrophobicContact CD1-CG 4.49Å; F139-L188 HydrophobicContact CD2-CD1 3.75Å; F139-L188 HydrophobicContact CE1-CD2 3.84Å; F139-L188 HydrophobicContact CE2-CD1 4.24Å; F139-L188 HydrophobicContact CG-CD1 3.7Å; F139-L188 HydrophobicContact CG-CD2 4.01Å; F139-L188 HydrophobicContact CG-CG 4.47Å; F139-L188 HydrophobicContact CZ-CD2 4.41Å; V147-L188 HydrophobicContact CG1-CD2 3.97Å; V171-L188 HydrophobicContact CG1-CD2 4.23Å; L181-L188 HydrophobicContact CD2-CD1 4.44Å; Y183-L188 HydrophobicContact CD2-CB 4.2Å; L188-V190 HydrophobicContact CD2-CG2 4.22Å; L188-V190 HydrophobicContact CG-CG2 4.04Å; L188-C199 HydrophobicContact CB-CB 4.22Å; L188-C199 PolarHBondContact N-O 3.13Å; L188-C199 PolarHBondContact O-N 3Å; L188-T201 HydrophobicContact CB-CG2 3.72Å |
| 189 | L | 94.3 | Very high | 92.5 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 123.4 | 173.3 | -172.8 | 66.2 | 0 | 0 | 0 | 109.2 | L181 G182 Y197 L198 V209 A220 F222 L237 | L181-L189 WeakPolarHBondContact CA-O 3.23Å; G182-L189 PolarHBondContact N-O 3.09Å; G182-L189 PolarHBondContact O-N 3.24Å; L189-Y197 WeakPolarHBondContact CA-O 3.28Å; L189-L198 HydrophobicContact CD1-CD1 4.29Å; L189-V209 HydrophobicContact CD1-CG2 4.38Å; L189-A220 HydrophobicContact CD2-CB 3.76Å; L189-A220 HydrophobicContact CG-CB 4.13Å; L189-F222 HydrophobicContact CB-CD2 4.48Å; L189-F222 HydrophobicContact CB-CE1 4.44Å; L189-F222 HydrophobicContact CB-CE2 3.7Å; L189-F222 HydrophobicContact CB-CZ 3.7Å; L189-F222 HydrophobicContact CD2-CE2 4.49Å; L189-L237 HydrophobicContact CD1-CD1 4.05Å; L189-L237 HydrophobicContact CD1-CD2 4.25Å |
| 190 | V | 95.8 | Very high | 92.1 | Very high | 2 Ų | 2 | 22.9 Ų | 22.9 | 1% | 0.012 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 109.9 | 179 | -173.2 | 0 | 0 | 0 | 0 | 109.5 | V147 V174 V178 L181 L188 C196 Y197 | V147-V190 HydrophobicContact CG2-CG1 3.96Å; V147-V190 HydrophobicContact CG2-CG2 4.35Å; V174-V190 HydrophobicContact CG1-CG1 4Å; V174-V190 HydrophobicContact CG2-CG1 4.26Å; V178-V190 HydrophobicContact CG1-CG1 4.37Å; V178-V190 HydrophobicContact CG2-CG1 4.29Å; L181-V190 HydrophobicContact CD2-CB 4.15Å; L181-V190 HydrophobicContact CD2-CG1 3.96Å; L181-V190 HydrophobicContact CD2-CG2 3.85Å; L188-V190 HydrophobicContact CD2-CG2 4.22Å; L188-V190 HydrophobicContact CG-CG2 4.04Å; V190-C196 WeakPolarHBondContact O-CA 3.46Å; V190-Y197 PolarHBondContact N-O 2.65Å; V190-Y197 PolarHBondContact O-N 2.89Å |
| 191 | S | 95.9 | Very high | 91.6 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.007 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 116.3 | 177 | -152 | 0 | 0 | 0 | 0 | 109.3 | V179 Q180 R214 Y218 | V179-S191 PolarHBondContact N-O 3.17Å; Q180-S191 PolarHBondContact N-O 2.89Å; Q180-S191 VanDerWaalsContact O-CB 3.25Å; Q180-S191 WeakPolarHBondContact O-CB 3.33Å; Q180-S191 PolarHBondContact O-N 3.39Å; S191-R214 PolarHBondContact OG-NH2 2.69Å; S191-Y218 PolarHBondContact OG-O 3.1Å |
| 192 | S | 95.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 169.3 | 178.3 | 70.2 | 0 | 0 | 0 | 0 | 111.8 | S176 R177 S194 R195 R214 | S176-S192 WeakPolarHBondContact OG-CB 3.48Å; S176-S192 PolarHBondContact OG-OG 3.32Å; R177-S192 WeakPolarHBondContact O-CA 3.39Å; S192-S194 VanDerWaalsContact C-N 3.34Å; S192-S194 PolarHBondContact O-N 2.91Å; S192-R195 CarbonylContact C-O 3.33Å; S192-R195 WeakPolarHBondContact CA-O 3.4Å; S192-R195 PolarHBondContact N-O 3.2Å; S192-R195 PolarHBondContact OG-N 3.32Å; S192-R195 PolarHBondContact OG-O 3.14Å; S192-R214 PolarHBondContact O-NE 2.88Å; S192-R214 PolarHBondContact O-NH2 3.04Å |
| 193 | L | 94.6 | Very high | 90.2 | Very high | 50 Ų | 50 | 33.7 Ų | 33.7 | 26% | 0.262 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -57.6 | -43.9 | 179.6 | -64.4 | 176.2 | 0 | 0 | 0 | 112.7 | S176 R177 V179 E217 | S176-L193 PolarHBondContact OG-N 2.86Å; R177-L193 HydrophobicContact CB-CD1 3.9Å; R177-L193 HydrophobicContact CB-CG 4.15Å; R177-L193 PolarHBondContact O-N 2.88Å; V179-L193 HydrophobicContact CG2-CD2 3.76Å; V179-L193 HydrophobicContact CG2-CG 4.27Å; L193-E217 HydrophobicContact CD2-CB 4.49Å; L193-E217 HydrophobicContact CD2-CG 3.69Å |
| 194 | S | 93.2 | Very high | 89.6 | Confident | 22 Ų | 22 | 37.9 Ų | 37.9 | 15% | 0.154 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -82.8 | -36.1 | -176 | 67.3 | 0 | 0 | 0 | 0 | 113.5 | D175 S176 S192 R214 | D175-S194 PolarHBondContact OD1-OG 2.89Å; D175-S194 PolarHBondContact OD2-OG 3.11Å; S176-S194 PolarHBondContact OG-N 2.88Å; S176-S194 PolarHBondContact OG-OG 2.92Å; S192-S194 VanDerWaalsContact C-N 3.34Å; S192-S194 PolarHBondContact O-N 2.91Å; S194-R214 CarbonylContact C-O 3Å; S194-R214 VanDerWaalsContact CA-O 3.31Å; S194-R214 WeakPolarHBondContact CA-O 3.4Å; S194-R214 VanDerWaalsContact O-CG 3.29Å; S194-R214 WeakPolarHBondContact O-CG 3.17Å; S194-R214 PolarHBondContact O-N 2.84Å |
| 195 | R | 93.1 | Very high | 89.3 | Confident | 68 Ų | 68 | 41.6 Ų | 41.6 | 26% | 0.257 | 20% | 0.198 | S | C | . | . | trans | -151.7 | 168.4 | -158.2 | -71.3 | 168 | -174.1 | 151.3 | -2.2 | 111.1 | D175 S192 Y197 E213 R214 | D175-R195 WeakPolarHBondContact OD2-CD 3.34Å; D175-R195 IonicContact OD2-CZ 2.65Å; D175-R195 VanDerWaalsContact OD2-CZ 3.26Å; D175-R195 IonicContact OD2-NE 3.93Å; D175-R195 IonicContact OD2-NH1 3.19Å; D175-R195 PolarHBondContact OD2-NH1 2.88Å; S192-R195 CarbonylContact C-O 3.33Å; S192-R195 WeakPolarHBondContact CA-O 3.4Å; S192-R195 PolarHBondContact N-O 3.2Å; S192-R195 PolarHBondContact OG-N 3.32Å; S192-R195 PolarHBondContact OG-O 3.14Å; R195-Y197 HydrophobicContact CB-CD2 4.32Å; R195-Y197 HydrophobicContact CB-CE2 3.64Å; R195-Y197 VanDerWaalsContact CD-OH 3.25Å; R195-Y197 WeakPolarHBondContact CD-OH 3.44Å; R195-E213 HydrophobicContact CG-CG 4.36Å; R195-E213 IonicContact CZ-OE1 2.61Å; R195-E213 IonicContact NE-OE1 3.49Å; R195-E213 PolarHBondContact NE-OE1 2.95Å; R195-E213 IonicContact NH2-OE1 2.74Å; R195-E213 PolarHBondContact NH2-OE1 3.41Å; R195-R214 PolarHBondContact O-NH2 3.42Å | ||
| 196 | C | 93.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 136.8 | 169.2 | -177.7 | 0 | 0 | 0 | 0 | 108.4 | V190 V209 C239 | V190-C196 WeakPolarHBondContact O-CA 3.46Å; C196-V209 HydrophobicContact CB-CB 4.17Å; C196-V209 HydrophobicContact CB-CG2 4.44Å; C196-V209 PolarHBondContact O-N 3.47Å; C196-C239 VanDerWaalsContact CB-SG 3.52Å |
| 197 | Y | 92.8 | Very high | 89.4 | Confident | 40 Ų | 40 | 45 Ų | 45 | 16% | 0.157 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 146.8 | -172.4 | -60 | -95.1 | 0 | 0 | 0 | 110.4 | V174 L189 V190 R195 W207 | V174-Y197 HydrophobicContact CB-CD2 4.27Å; V174-Y197 HydrophobicContact CB-CE2 3.82Å; V174-Y197 HydrophobicContact CG1-CD2 3.56Å; V174-Y197 HydrophobicContact CG1-CE2 3.57Å; V174-Y197 HydrophobicContact CG1-CG 4.13Å; L189-Y197 WeakPolarHBondContact CA-O 3.28Å; V190-Y197 PolarHBondContact N-O 2.65Å; V190-Y197 PolarHBondContact O-N 2.89Å; R195-Y197 HydrophobicContact CB-CD2 4.32Å; R195-Y197 HydrophobicContact CB-CE2 3.64Å; R195-Y197 VanDerWaalsContact CD-OH 3.25Å; R195-Y197 WeakPolarHBondContact CD-OH 3.44Å; Y197-W207 CarbonylContact C-O 3.56Å; Y197-W207 VanDerWaalsContact CA-O 3.28Å; Y197-W207 WeakPolarHBondContact CA-O 3.5Å |
| 198 | L | 92.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 121.7 | 173.4 | -176.8 | 66 | 0 | 0 | 0 | 108.6 | R187 L189 W207 V209 F222 L237 F251 | R187-L198 HydrophobicContact CB-CD1 4.08Å; L189-L198 HydrophobicContact CD1-CD1 4.29Å; L198-W207 PolarHBondContact N-O 3.35Å; L198-W207 VanDerWaalsContact O-CD1 3.26Å; L198-W207 PolarHBondContact O-N 3.24Å; L198-V209 HydrophobicContact CB-CG2 4.3Å; L198-F222 HydrophobicContact CD1-CE1 3.87Å; L198-F222 HydrophobicContact CD1-CZ 3.66Å; L198-L237 HydrophobicContact CD1-CD2 4.25Å; L198-L237 HydrophobicContact CD2-CD2 3.89Å; L198-F251 VanDerWaalsContact CD2-O 3.27Å; L198-F251 WeakPolarHBondContact CD2-O 3.43Å |
| 199 | C | 89.9 | Confident | 89.4 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.014 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 127.9 | 177.3 | 175.3 | 0 | 0 | 0 | 0 | 110.2 | R187 L188 K205 F206 | R187-C199 CarbonylContact C-O 3.58Å; R187-C199 WeakPolarHBondContact CA-O 3.44Å; L188-C199 HydrophobicContact CB-CB 4.22Å; L188-C199 PolarHBondContact N-O 3.13Å; L188-C199 PolarHBondContact O-N 3Å; C199-K205 CarbonylContact C-O 3.51Å; C199-K205 WeakPolarHBondContact CA-O 3.45Å; C199-F206 HydrophobicContact CB-CD1 3.68Å; C199-F206 HydrophobicContact CB-CE1 3.56Å; C199-F206 HydrophobicContact CB-CZ 4.36Å; C199-F206 WeakPolarHBondContact SG-CE1 3.49Å; C199-F206 VanDerWaalsContact SG-CZ 3.54Å |
| 200 | D | 87.4 | Confident | 89.2 | Confident | 11 Ų | 11 | 47.4 Ų | 47.4 | 6% | 0.059 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 107 | 163.4 | -176.3 | -47.9 | 0 | 0 | 0 | 108 | E202 K203 E204 K205 | D200-E202 VanDerWaalsContact C-N 3.29Å; D200-E202 PolarHBondContact O-N 3.28Å; D200-E202 PolarHBondContact OD1-N 3.14Å; D200-K203 HydrophobicContact CB-CB 4.47Å; D200-K203 PolarHBondContact O-N 3.23Å; D200-K203 WeakPolarHBondContact OD1-CB 3.5Å; D200-K203 WeakPolarHBondContact OD1-CG 3.36Å; D200-K203 PolarHBondContact OD1-N 3.04Å; D200-K203 IonicContact OD1-NZ 3.27Å; D200-K203 PolarHBondContact OD1-NZ 2.88Å; D200-K203 WeakPolarHBondContact OD2-CD 3.34Å; D200-K203 WeakPolarHBondContact OD2-CE 3.32Å; D200-K203 IonicContact OD2-NZ 2.65Å; D200-K203 PolarHBondContact OD2-NZ 3.1Å; D200-E204 WeakPolarHBondContact O-CA 3.35Å; D200-E204 PolarHBondContact O-N 3.04Å; D200-K205 HydrophobicContact CB-CB 4.36Å; D200-K205 PolarHBondContact N-O 2.79Å; D200-K205 PolarHBondContact O-N 3.03Å |
| 201 | T | 84.3 | Confident | 88.7 | Confident | 25 Ų | 25 | 53.7 Ų | 53.7 | 15% | 0.153 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -8.4 | -170.5 | 72.9 | 0 | 0 | 0 | 0 | 113.9 | R137 F139 Y183 G186 L188 | R137-T201 PolarHBondContact NH2-OG1 3.21Å; F139-T201 HydrophobicContact CZ-CG2 4.12Å; Y183-T201 HydrophobicContact CE2-CG2 4.1Å; G186-T201 WeakPolarHBondContact O-CB 3.46Å; G186-T201 PolarHBondContact O-N 3.45Å; G186-T201 PolarHBondContact O-OG1 2.75Å; L188-T201 HydrophobicContact CB-CG2 3.72Å |
| 202 | E | 81.3 | Confident | 88.3 | Confident | 147 Ų | 147 | 61.2 Ų | 61.2 | 69% | 0.687 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -34.3 | 171.8 | -55 | 175.2 | 150.4 | 0 | 0 | 111.6 | D200 | D200-E202 VanDerWaalsContact C-N 3.29Å; D200-E202 PolarHBondContact O-N 3.28Å; D200-E202 PolarHBondContact OD1-N 3.14Å |
| 203 | K | 79.1 | Confident | 88 | Confident | 98 Ų | 98 | 66.1 Ų | 66.1 | 43% | 0.426 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | -1.5 | -171.9 | -61.4 | 164.6 | -145.3 | 70.1 | 0 | 112.7 | D200 K205 | D200-K203 HydrophobicContact CB-CB 4.47Å; D200-K203 PolarHBondContact O-N 3.23Å; D200-K203 WeakPolarHBondContact OD1-CB 3.5Å; D200-K203 WeakPolarHBondContact OD1-CG 3.36Å; D200-K203 PolarHBondContact OD1-N 3.04Å; D200-K203 IonicContact OD1-NZ 3.27Å; D200-K203 PolarHBondContact OD1-NZ 2.88Å; D200-K203 WeakPolarHBondContact OD2-CD 3.34Å; D200-K203 WeakPolarHBondContact OD2-CE 3.32Å; D200-K203 IonicContact OD2-NZ 2.65Å; D200-K203 PolarHBondContact OD2-NZ 3.1Å; K203-K205 HydrophobicContact CB-CD 4.28Å; K203-K205 HydrophobicContact CB-CG 3.97Å; K203-K205 VanDerWaalsContact O-CG 3.3Å; K203-K205 WeakPolarHBondContact O-CG 3.36Å; K203-K205 PolarHBondContact O-N 2.83Å |
| 204 | E | 78.8 | Confident | 87.9 | Confident | 128 Ų | 128 | 64.4 Ų | 64.4 | 60% | 0.598 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 37.7 | -174.9 | -58.2 | -172.4 | 144.6 | 0 | 0 | 113 | Q169 D200 F206 | Q169-E204 PolarHBondContact NE2-OE1 2.72Å; D200-E204 WeakPolarHBondContact O-CA 3.35Å; D200-E204 PolarHBondContact O-N 3.04Å; E204-F206 WeakPolarHBondContact O-CD2 3.18Å; E204-F206 WeakPolarHBondContact O-CE2 3.49Å |
| 205 | K | 82.5 | Confident | 87.8 | Confident | 109 Ų | 109 | 70.2 Ų | 70.2 | 47% | 0.474 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 126.8 | -176.5 | -60.4 | -167.7 | 179.4 | 179.8 | 0 | 112.3 | C199 D200 K203 W207 | C199-K205 CarbonylContact C-O 3.51Å; C199-K205 WeakPolarHBondContact CA-O 3.45Å; D200-K205 HydrophobicContact CB-CB 4.36Å; D200-K205 PolarHBondContact N-O 2.79Å; D200-K205 PolarHBondContact O-N 3.03Å; K203-K205 HydrophobicContact CB-CD 4.28Å; K203-K205 HydrophobicContact CB-CG 3.97Å; K203-K205 VanDerWaalsContact O-CG 3.3Å; K203-K205 WeakPolarHBondContact O-CG 3.36Å; K203-K205 PolarHBondContact O-N 2.83Å; K205-W207 HydrophobicContact CB-CH2 4.09Å; K205-W207 HydrophobicContact CB-CZ2 3.47Å; K205-W207 VanDerWaalsContact CB-CZ2 3.47Å; K205-W207 HydrophobicContact CD-CH2 3.9Å; K205-W207 HydrophobicContact CD-CZ2 3.76Å; K205-W207 HydrophobicContact CG-CZ2 4.22Å |
| 206 | F | 84.3 | Confident | 87.8 | Confident | 82 Ų | 82 | 68.3 Ų | 68.3 | 36% | 0.36 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 128.1 | -176.5 | -61.4 | -91.9 | 0 | 0 | 0 | 111.3 | V171 T172 C199 E204 | V171-F206 HydrophobicContact CG1-CE1 4.4Å; V171-F206 HydrophobicContact CG1-CZ 4.19Å; V171-F206 WeakPolarHBondContact O-CZ 3.47Å; T172-F206 VanDerWaalsContact CB-CE1 3.44Å; T172-F206 HydrophobicContact CG2-CD1 4.37Å; T172-F206 HydrophobicContact CG2-CE1 3.7Å; T172-F206 HydrophobicContact CG2-CZ 4.42Å; C199-F206 HydrophobicContact CB-CD1 3.68Å; C199-F206 HydrophobicContact CB-CE1 3.56Å; C199-F206 HydrophobicContact CB-CZ 4.36Å; C199-F206 WeakPolarHBondContact SG-CE1 3.49Å; C199-F206 VanDerWaalsContact SG-CZ 3.54Å; E204-F206 WeakPolarHBondContact O-CD2 3.18Å; E204-F206 WeakPolarHBondContact O-CE2 3.49Å |
| 207 | W | 86.4 | Confident | 87.7 | Confident | 108 Ų | 108 | 72.2 Ų | 72.2 | 41% | 0.409 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 147.7 | 179.1 | -38.9 | 106.1 | 0 | 0 | 0 | 109.5 | Y197 L198 K205 | Y197-W207 CarbonylContact C-O 3.56Å; Y197-W207 VanDerWaalsContact CA-O 3.28Å; Y197-W207 WeakPolarHBondContact CA-O 3.5Å; L198-W207 PolarHBondContact N-O 3.35Å; L198-W207 VanDerWaalsContact O-CD1 3.26Å; L198-W207 PolarHBondContact O-N 3.24Å; K205-W207 HydrophobicContact CB-CH2 4.09Å; K205-W207 HydrophobicContact CB-CZ2 3.47Å; K205-W207 VanDerWaalsContact CB-CZ2 3.47Å; K205-W207 HydrophobicContact CD-CH2 3.9Å; K205-W207 HydrophobicContact CD-CZ2 3.76Å; K205-W207 HydrophobicContact CG-CZ2 4.22Å |
| 208 | R | 91.6 | Very high | 87.9 | Confident | 94 Ų | 94 | 71.4 Ų | 71.4 | 36% | 0.355 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 130.5 | 170.8 | -173 | -179.4 | 62.8 | -167 | -9.6 | 109.1 | G210 N211 E213 | R208-G210 WeakPolarHBondContact CG-O 3.3Å; R208-G210 PolarHBondContact NE-O 3.09Å; R208-G210 PolarHBondContact O-N 3.47Å; R208-G210 VanDerWaalsContact O-N 3.11Å; R208-N211 PolarHBondContact NH2-OD1 3.21Å; R208-E213 IonicContact NH1-OE1 3.08Å |
| 209 | V | 91.6 | Very high | 88 | Confident | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -73.6 | 102.2 | 175 | -179.5 | 0 | 0 | 0 | 0 | 109.1 | L189 C196 L198 L237 C239 R241 A249 G253 | L189-V209 HydrophobicContact CD1-CG2 4.38Å; C196-V209 HydrophobicContact CB-CB 4.17Å; C196-V209 HydrophobicContact CB-CG2 4.44Å; C196-V209 PolarHBondContact O-N 3.47Å; L198-V209 HydrophobicContact CB-CG2 4.3Å; V209-L237 HydrophobicContact CG1-CD1 3.86Å; V209-L237 HydrophobicContact CG2-CD1 4.04Å; V209-L237 HydrophobicContact CG2-CD2 4.44Å; V209-C239 HydrophobicContact CG1-CB 4.3Å; V209-R241 PolarHBondContact O-NH2 3.35Å; V209-A249 HydrophobicContact CG1-CB 3.86Å; V209-G253 WeakPolarHBondContact CA-O 3.36Å |
| 210 | G | 88.9 | Confident | 88.2 | Confident | 9 Ų | 9 | 71.3 Ų | 71.3 | 9% | 0.093 | 34% | 0.337 | C | S | . | . | S | Bend | trans | 67.1 | -179.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115 | R208 G253 | R208-G210 WeakPolarHBondContact CG-O 3.3Å; R208-G210 PolarHBondContact NE-O 3.09Å; R208-G210 PolarHBondContact O-N 3.47Å; R208-G210 VanDerWaalsContact O-N 3.11Å; G210-G253 PolarHBondContact N-O 2.89Å |
| 211 | N | 85.9 | Confident | 88.5 | Confident | 133 Ų | 133 | 71.3 Ų | 71.3 | 71% | 0.711 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -109.5 | -13 | -170.1 | -77.9 | -33.7 | 0 | 0 | 0 | 116.2 | R208 | R208-N211 PolarHBondContact NH2-OD1 3.21Š|
| 212 | K | 87.6 | Confident | 88.8 | Confident | 160 Ų | 160 | 70.7 Ų | 70.7 | 70% | 0.696 | 33% | 0.333 | S | S | * | . | trans | -91 | 145.8 | 173 | -51.2 | -176.7 | -179.8 | 179.7 | 0 | 110 | R241 W247 | K212-R241 PolarHBondContact O-NH1 2.98Å; K212-W247 HydrophobicContact CB-CH2 3.83Å; K212-W247 HydrophobicContact CB-CZ2 4.19Å; K212-W247 HydrophobicContact CG-CH2 4.4Å | ||
| 213 | E | 89.4 | Confident | 88.8 | Confident | 102 Ų | 102 | 64.7 Ų | 64.7 | 48% | 0.477 | 31% | 0.306 | S | S | . | . | trans | -85.2 | 177.2 | 175.1 | -55.3 | -171.1 | 150.3 | 0 | 0 | 109.5 | R195 R208 | R195-E213 HydrophobicContact CG-CG 4.36Å; R195-E213 IonicContact CZ-OE1 2.61Å; R195-E213 IonicContact NE-OE1 3.49Å; R195-E213 PolarHBondContact NE-OE1 2.95Å; R195-E213 IonicContact NH2-OE1 2.74Å; R195-E213 PolarHBondContact NH2-OE1 3.41Å; R208-E213 IonicContact NH1-OE1 3.08Å | ||
| 214 | R | 91.9 | Very high | 88.4 | Confident | 14 Ų | 14 | 62.2 Ų | 62.2 | 5% | 0.053 | 30% | 0.299 | C | S | . | . | trans | -142.2 | 167.6 | 175.4 | 54.7 | 179.9 | -169.2 | -172.2 | 2.4 | 108 | S191 S192 S194 R195 Y218 C239 A240 P242 | S191-R214 PolarHBondContact OG-NH2 2.69Å; S192-R214 PolarHBondContact O-NE 2.88Å; S192-R214 PolarHBondContact O-NH2 3.04Å; S194-R214 CarbonylContact C-O 3Å; S194-R214 VanDerWaalsContact CA-O 3.31Å; S194-R214 WeakPolarHBondContact CA-O 3.4Å; S194-R214 VanDerWaalsContact O-CG 3.29Å; S194-R214 WeakPolarHBondContact O-CG 3.17Å; S194-R214 PolarHBondContact O-N 2.84Å; R195-R214 PolarHBondContact O-NH2 3.42Å; R214-Y218 HydrophobicContact CB-CD2 4.14Å; R214-Y218 HydrophobicContact CB-CE2 4.24Å; R214-Y218 HydrophobicContact CG-CD2 4.15Å; R214-Y218 VanDerWaalsContact NH1-CB 3.26Å; R214-Y218 PolarHBondContact NH1-O 3.16Å; R214-Y218 PolarHBondContact NH2-O 2.99Å; R214-C239 PolarHBondContact NH1-SG 3.39Å; R214-A240 PolarHBondContact NH1-O 3.29Å; R214-P242 HydrophobicContact CB-CG 4.15Å | ||
| 215 | D | 90.8 | Very high | 87.6 | Confident | 145 Ų | 145 | 59.6 Ų | 59.6 | 78% | 0.775 | 29% | 0.287 | S | S | * | . | trans | -144.7 | 119.2 | 178.9 | -178.3 | 20.4 | 0 | 0 | 0 | 109.1 | Y218 | D215-Y218 VanDerWaalsContact O-CE2 3.31Å; D215-Y218 WeakPolarHBondContact O-CE2 3.26Å | ||
| 216 | G | 92.2 | Very high | 86.1 | Confident | 27 Ų | 27 | 56.9 Ų | 56.9 | 28% | 0.278 | 28% | 0.282 | S | S | . | . | S | Bend | trans | 118.4 | 176.6 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y218 | G216-Y218 VanDerWaalsContact O-CD2 3.27Å; G216-Y218 WeakPolarHBondContact O-CD2 3.39Å; G216-Y218 PolarHBondContact O-N 3.04Å |
| 217 | E | 93.5 | Very high | 84.1 | Confident | 82 Ų | 82 | 64.7 Ų | 64.7 | 38% | 0.383 | 31% | 0.309 | S | S | . | . | trans | -76.6 | 121.5 | 176.6 | -66.5 | -174.3 | 162.9 | 0 | 0 | 110.8 | R177 V179 L193 P294 | R177-E217 IonicContact CZ-OE1 3.2Å; R177-E217 IonicContact NH1-OE1 3.62Å; R177-E217 PolarHBondContact NH1-OE1 3.37Å; R177-E217 IonicContact NH2-OE1 2.81Å; R177-E217 PolarHBondContact NH2-OE1 3.47Å; V179-E217 HydrophobicContact CG1-CB 4.16Å; V179-E217 HydrophobicContact CG2-CG 4.45Å; L193-E217 HydrophobicContact CD2-CB 4.49Å; L193-E217 HydrophobicContact CD2-CG 3.69Å; E217-P294 HydrophobicContact CB-CB 4.28Å | ||
| 218 | Y | 95.4 | Very high | 82 | Confident | 24 Ų | 24 | 62.3 Ų | 62.3 | 9% | 0.094 | 32% | 0.318 | C | S | . | . | trans | -142.8 | 130 | 179.1 | -67.6 | -78.4 | 0 | 0 | 0 | 111.7 | S191 R214 D215 G216 A240 P242 F293 P294 | S191-Y218 PolarHBondContact OG-O 3.1Å; R214-Y218 HydrophobicContact CB-CD2 4.14Å; R214-Y218 HydrophobicContact CB-CE2 4.24Å; R214-Y218 HydrophobicContact CG-CD2 4.15Å; R214-Y218 VanDerWaalsContact NH1-CB 3.26Å; R214-Y218 PolarHBondContact NH1-O 3.16Å; R214-Y218 PolarHBondContact NH2-O 2.99Å; D215-Y218 VanDerWaalsContact O-CE2 3.31Å; D215-Y218 WeakPolarHBondContact O-CE2 3.26Å; G216-Y218 VanDerWaalsContact O-CD2 3.27Å; G216-Y218 WeakPolarHBondContact O-CD2 3.39Å; G216-Y218 PolarHBondContact O-N 3.04Å; Y218-A240 WeakPolarHBondContact CB-O 3.47Å; Y218-A240 HydrophobicContact CD1-CB 4Å; Y218-A240 HydrophobicContact CG-CB 4.45Å; Y218-P242 HydrophobicContact CE1-CG 4.42Å; Y218-P242 HydrophobicContact CE2-CG 4.04Å; Y218-P242 WeakPolarHBondContact OH-CA 3.33Å; Y218-P242 WeakPolarHBondContact OH-CG 3.31Å; Y218-F293 CarbonylContact C-O 3.48Å; Y218-F293 WeakPolarHBondContact CA-O 3.28Å; Y218-P294 CarbonylContact C-O 3.43Å; Y218-P294 VanDerWaalsContact C-O 3.3Å | ||
| 219 | G | 95 | Very high | 79.6 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | trans | -73.8 | 167.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | A240 F293 P294 | G219-A240 WeakPolarHBondContact O-CB 3.5Å; G219-A240 PolarHBondContact O-N 3.12Å; G219-F293 PolarHBondContact N-O 3.43Å; G219-P294 WeakPolarHBondContact CA-O 3.41Å; G219-P294 PolarHBondContact N-O 2.71Å | ||
| 220 | A | 94.9 | Very high | 77.3 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 140.9 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q180 L189 Y238 C239 | Q180-A220 PolarHBondContact NE2-O 3.36Å; Q180-A220 PolarHBondContact OE1-O 3.31Å; L189-A220 HydrophobicContact CD2-CB 3.76Å; L189-A220 HydrophobicContact CG-CB 4.13Å; A220-Y238 CarbonylContact C-O 3.54Å; A220-Y238 WeakPolarHBondContact CA-O 3.44Å; A220-C239 HydrophobicContact CB-CB 4.41Å |
| 221 | C | 93.3 | Very high | 74.9 | Confident | 10 Ų | 10 | 73.8 Ų | 73.8 | 7% | 0.068 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 164.5 | 178.1 | 61.3 | 0 | 0 | 0 | 0 | 111.7 | L237 Y238 L296 | C221-L237 WeakPolarHBondContact O-CA 3.47Å; C221-Y238 PolarHBondContact N-O 2.83Å; C221-Y238 PolarHBondContact O-N 3.19Å; C221-L296 HydrophobicContact CB-CB 4.48Å; C221-L296 WeakPolarHBondContact CB-O 3.26Å |
| 222 | F | 90.4 | Very high | 73 | Confident | 13 Ų | 13 | 71 Ų | 71 | 6% | 0.057 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 155.1 | 165.3 | -63 | -67.7 | 0 | 0 | 0 | 110.4 | Q184 R187 L189 L198 L237 F251 | Q184-F222 HydrophobicContact CB-CB 4.16Å; Q184-F222 HydrophobicContact CB-CD2 3.54Å; Q184-F222 HydrophobicContact CB-CE2 3.98Å; Q184-F222 HydrophobicContact CB-CG 3.84Å; Q184-F222 VanDerWaalsContact OE1-CB 3.27Å; R187-F222 HydrophobicContact CB-CZ 4.3Å; L189-F222 HydrophobicContact CB-CD2 4.48Å; L189-F222 HydrophobicContact CB-CE1 4.44Å; L189-F222 HydrophobicContact CB-CE2 3.7Å; L189-F222 HydrophobicContact CB-CZ 3.7Å; L189-F222 HydrophobicContact CD2-CE2 4.49Å; L198-F222 HydrophobicContact CD1-CE1 3.87Å; L198-F222 HydrophobicContact CD1-CZ 3.66Å; F222-L237 HydrophobicContact CD1-CB 3.67Å; F222-L237 HydrophobicContact CE1-CB 3.98Å; F222-L237 HydrophobicContact CE1-CD2 4.22Å; F222-F251 HydrophobicContact CD1-CD1 4.47Å; F222-F251 AromaticContact CD1-CE1 3.41Å; F222-F251 HydrophobicContact CD1-CE1 3.41Å; F222-F251 VanDerWaalsContact CD1-CE1 3.41Å; F222-F251 AromaticContact CD1-CZ 3.45Å; F222-F251 HydrophobicContact CD1-CZ 3.45Å; F222-F251 VanDerWaalsContact CD1-CZ 3.45Å; F222-F251 HydrophobicContact CE1-CD1 4.26Å; F222-F251 AromaticContact CE1-CE1 3.52Å; F222-F251 HydrophobicContact CE1-CE1 3.52Å; F222-F251 HydrophobicContact CE1-CE2 4.34Å; F222-F251 AromaticContact CE1-CZ 3.54Å; F222-F251 HydrophobicContact CE1-CZ 3.54Å; F222-F251 HydrophobicContact CG-CZ 4.33Å; F222-F251 HydrophobicContact CZ-CZ 4.47Å |
| 223 | L | 81.8 | Confident | 71.5 | Confident | 21 Ų | 21 | 68.8 Ų | 68.8 | 11% | 0.11 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 109.7 | 165.9 | -170.1 | 77.7 | 0 | 0 | 0 | 108 | L236 Y238 Y298 L304 | L223-L236 PolarHBondContact N-O 3.45Å; L223-L236 VanDerWaalsContact N-O 3.07Å; L223-Y238 HydrophobicContact CB-CD2 3.98Å; L223-Y238 HydrophobicContact CB-CE2 3.68Å; L223-Y238 HydrophobicContact CD2-CE2 3.87Å; L223-Y238 HydrophobicContact CG-CE2 4.29Å; L223-Y298 HydrophobicContact CD1-CD2 3.58Å; L223-Y298 HydrophobicContact CD1-CE2 3.66Å; L223-L304 HydrophobicContact CD1-CD2 4.41Å |
| 224 | P | 70.1 | Confident | 70.2 | Confident | 46 Ų | 46 | 67.3 Ų | 67.3 | 30% | 0.299 | 38% | 0.382 | S | S | . | . | trans | -67.5 | 136.1 | 178.1 | 28.9 | -34.1 | 0 | 0 | 0 | 109.9 | S226 Y298 | P224-S226 PolarHBondContact O-N 3.43Å; P224-Y298 HydrophobicContact CG-CD1 3.77Å; P224-Y298 HydrophobicContact CG-CD2 4.34Å; P224-Y298 HydrophobicContact CG-CE1 3.36Å; P224-Y298 HydrophobicContact CG-CE2 3.96Å; P224-Y298 HydrophobicContact CG-CG 4.22Å; P224-Y298 VanDerWaalsContact CG-CZ 3.44Å | ||
| 225 | Q | 62.1 | Low | 69.1 | Low | 73 Ų | 73 | 68.2 Ų | 68.2 | 34% | 0.341 | 39% | 0.39 | S | S | . | . | trans | -84.1 | 112.6 | -173.3 | -174.1 | 170.7 | -8.8 | 0 | 0 | 110.1 | R227 L230 Q233 | Q225-R227 PolarHBondContact O-N 3.19Å; Q225-L230 PolarHBondContact NE2-O 3.3Å; Q225-Q233 PolarHBondContact NE2-O 3.22Å; Q225-Q233 PolarHBondContact OE1-O 3.31Å | ||
| 226 | S | 50.3 | Low | 68.9 | Low | 51 Ų | 51 | 62.9 Ų | 62.9 | 36% | 0.357 | 36% | 0.361 | S | S | . | . | trans | -55.4 | 121 | 180 | -39.7 | 0 | 0 | 0 | 0 | 110.5 | P224 G228 | P224-S226 PolarHBondContact O-N 3.43Å; S226-G228 PolarHBondContact O-N 3Å | ||
| 227 | R | 43.3 | Very low | 68.9 | Low | 247 Ų | 247 | 61.6 Ų | 61.6 | 93% | 0.932 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | 27.7 | -170.8 | -64.5 | -177.2 | 172.8 | -177.3 | -2 | 115.5 | Q225 | Q225-R227 PolarHBondContact O-N 3.19Š|
| 228 | G | 41.2 | Very low | 68.8 | Low | 58 Ų | 58 | 57.9 Ų | 57.9 | 60% | 0.598 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -139.1 | -25.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | S226 | S226-G228 PolarHBondContact O-N 3Š|
| 229 | L | 41.5 | Very low | 68.8 | Low | 95 Ų | 95 | 56.7 Ų | 56.7 | 50% | 0.497 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | -27.2 | -167.9 | -80.7 | 162.9 | 0 | 0 | 0 | 115.6 | ||
| 230 | L | 43.1 | Very low | 68.8 | Low | 99 Ų | 99 | 56.7 Ų | 56.7 | 52% | 0.518 | 33% | 0.326 | S | S | . | . | trans | -140.9 | 68.8 | -172.5 | -69.2 | 172.4 | 0 | 0 | 0 | 112 | Q225 G232 Q233 | Q225-L230 PolarHBondContact NE2-O 3.3Å; L230-G232 PolarHBondContact O-N 3.42Å; L230-G232 VanDerWaalsContact O-N 3.15Å; L230-Q233 HydrophobicContact CB-CB 4.4Å; L230-Q233 HydrophobicContact CB-CG 4.03Å; L230-Q233 HydrophobicContact CD1-CG 4.25Å; L230-Q233 HydrophobicContact CD2-CG 4.46Å; L230-Q233 HydrophobicContact CG-CG 4.49Å | ||
| 231 | V | 39.4 | Very low | 68.7 | Low | 149 Ų | 149 | 57.1 Ų | 57.1 | 90% | 0.903 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | 111.2 | 171.5 | 179.7 | 0 | 0 | 0 | 0 | 109.3 | ||
| 232 | G | 46.3 | Very low | 68.7 | Low | 75 Ų | 75 | 59 Ų | 59 | 77% | 0.773 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 109.3 | -4.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 117 | L230 | L230-G232 PolarHBondContact O-N 3.42Å; L230-G232 VanDerWaalsContact O-N 3.15Å |
| 233 | Q | 55.7 | Low | 68.7 | Low | 114 Ų | 114 | 59.4 Ų | 59.4 | 53% | 0.533 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -66 | 145.5 | 161.8 | -75.6 | -74.7 | -7.1 | 0 | 0 | 109.6 | Q225 L230 | Q225-Q233 PolarHBondContact NE2-O 3.22Å; Q225-Q233 PolarHBondContact OE1-O 3.31Å; L230-Q233 HydrophobicContact CB-CB 4.4Å; L230-Q233 HydrophobicContact CB-CG 4.03Å; L230-Q233 HydrophobicContact CD1-CG 4.25Å; L230-Q233 HydrophobicContact CD2-CG 4.46Å; L230-Q233 HydrophobicContact CG-CG 4.49Å |
| 234 | P | 61.5 | Low | 69.2 | Low | 71 Ų | 71 | 58.4 Ų | 58.4 | 46% | 0.461 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -76.7 | 147.3 | 173.2 | 32.5 | -33 | 0 | 0 | 0 | 110.6 | ||
| 235 | P | 70.3 | Confident | 70.3 | Confident | 33 Ų | 33 | 60.9 Ų | 60.9 | 21% | 0.214 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 147.4 | 176.5 | 28.8 | -36.4 | 0 | 0 | 0 | 111.6 | F251 | P235-F251 HydrophobicContact CB-CD1 4.31Å; P235-F251 HydrophobicContact CB-CD2 4.32Å; P235-F251 HydrophobicContact CB-CE1 3.8Å; P235-F251 HydrophobicContact CB-CE2 3.85Å; P235-F251 HydrophobicContact CB-CZ 3.58Å; P235-F251 HydrophobicContact CG-CD1 4.17Å; P235-F251 HydrophobicContact CG-CD2 3.58Å; P235-F251 HydrophobicContact CG-CE1 4.07Å; P235-F251 HydrophobicContact CG-CE2 3.51Å; P235-F251 HydrophobicContact CG-CG 3.96Å; P235-F251 HydrophobicContact CG-CZ 3.78Å; P235-F251 WeakPolarHBondContact O-CD1 3.32Å; P235-F251 WeakPolarHBondContact O-CE1 3.22Å |
| 236 | L | 86.3 | Confident | 71.8 | Confident | 32 Ų | 32 | 57.5 Ų | 57.5 | 17% | 0.168 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 152 | -170 | -62.6 | 179.2 | 0 | 0 | 0 | 112.1 | L223 Y238 E248 L256 | L223-L236 PolarHBondContact N-O 3.45Å; L223-L236 VanDerWaalsContact N-O 3.07Å; L236-Y238 HydrophobicContact CB-CE2 4.22Å; L236-E248 HydrophobicContact CD1-CG 4.26Å; L236-L256 HydrophobicContact CD2-CD1 3.62Å |
| 237 | L | 90.9 | Very high | 73.9 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 145.2 | 172.6 | 74.4 | 92.1 | 0 | 0 | 0 | 111 | L189 L198 V209 C221 F222 C239 A249 F251 | L189-L237 HydrophobicContact CD1-CD1 4.05Å; L189-L237 HydrophobicContact CD1-CD2 4.25Å; L198-L237 HydrophobicContact CD1-CD2 4.25Å; L198-L237 HydrophobicContact CD2-CD2 3.89Å; V209-L237 HydrophobicContact CG1-CD1 3.86Å; V209-L237 HydrophobicContact CG2-CD1 4.04Å; V209-L237 HydrophobicContact CG2-CD2 4.44Å; C221-L237 WeakPolarHBondContact O-CA 3.47Å; F222-L237 HydrophobicContact CD1-CB 3.67Å; F222-L237 HydrophobicContact CE1-CB 3.98Å; F222-L237 HydrophobicContact CE1-CD2 4.22Å; L237-C239 HydrophobicContact CD1-CB 4.47Å; L237-A249 HydrophobicContact CD1-CB 3.94Å; L237-A249 HydrophobicContact CG-CB 4.02Å; L237-A249 PolarHBondContact N-O 3.38Å; L237-A249 PolarHBondContact O-N 3.39Å; L237-F251 HydrophobicContact CD2-CD1 4.42Å |
| 238 | Y | 93.1 | Very high | 76.3 | Confident | 4 Ų | 4 | 46.2 Ų | 46.2 | 2% | 0.016 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 130.8 | -178 | -69.7 | -86.8 | 0 | 0 | 0 | 110.3 | A220 C221 L223 L236 I246 W247 E248 L304 P317 | A220-Y238 CarbonylContact C-O 3.54Å; A220-Y238 WeakPolarHBondContact CA-O 3.44Å; C221-Y238 PolarHBondContact N-O 2.83Å; C221-Y238 PolarHBondContact O-N 3.19Å; L223-Y238 HydrophobicContact CB-CD2 3.98Å; L223-Y238 HydrophobicContact CB-CE2 3.68Å; L223-Y238 HydrophobicContact CD2-CE2 3.87Å; L223-Y238 HydrophobicContact CG-CE2 4.29Å; L236-Y238 HydrophobicContact CB-CE2 4.22Å; Y238-I246 HydrophobicContact CD1-CG2 3.88Å; Y238-I246 HydrophobicContact CG-CG2 4.36Å; Y238-W247 CarbonylContact C-O 3.59Å; Y238-W247 WeakPolarHBondContact CA-O 3.44Å; Y238-E248 HydrophobicContact CD1-CB 4.15Å; Y238-E248 HydrophobicContact CD1-CG 4.43Å; Y238-E248 HydrophobicContact CE1-CB 3.73Å; Y238-E248 HydrophobicContact CE1-CG 3.66Å; Y238-L304 HydrophobicContact CD1-CD1 3.92Å; Y238-L304 HydrophobicContact CD2-CD1 4.2Å; Y238-L304 HydrophobicContact CG-CD1 3.71Å; Y238-P317 HydrophobicContact CD1-CB 4.24Å; Y238-P317 HydrophobicContact CE1-CB 3.56Å; Y238-P317 HydrophobicContact CE1-CG 4.43Å; Y238-P317 HydrophobicContact CE2-CB 4.42Å; Y238-P317 HydrophobicContact CE2-CG 4.48Å |
| 239 | C | 93.9 | Very high | 78.7 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 118.4 | -171.3 | 177.7 | 0 | 0 | 0 | 0 | 110.7 | C196 V209 R214 A220 L237 W247 | C196-C239 VanDerWaalsContact CB-SG 3.52Å; V209-C239 HydrophobicContact CG1-CB 4.3Å; R214-C239 PolarHBondContact NH1-SG 3.39Å; A220-C239 HydrophobicContact CB-CB 4.41Å; L237-C239 HydrophobicContact CD1-CB 4.47Å; C239-W247 HydrophobicContact CB-CB 4.37Å; C239-W247 PolarHBondContact N-O 2.98Å; C239-W247 PolarHBondContact O-N 3.25Å |
| 240 | A | 95.2 | Very high | 81 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 144.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | R214 Y218 G219 F293 L296 | R214-A240 PolarHBondContact NH1-O 3.29Å; Y218-A240 WeakPolarHBondContact CB-O 3.47Å; Y218-A240 HydrophobicContact CD1-CB 4Å; Y218-A240 HydrophobicContact CG-CB 4.45Å; G219-A240 WeakPolarHBondContact O-CB 3.5Å; G219-A240 PolarHBondContact O-N 3.12Å; A240-F293 HydrophobicContact CB-CB 3.82Å; A240-F293 HydrophobicContact CB-CD2 4.39Å; A240-F293 WeakPolarHBondContact CB-O 3.3Å; A240-L296 HydrophobicContact CB-CD1 3.96Å; A240-L296 HydrophobicContact CB-CD2 4.4Å; A240-L296 HydrophobicContact CB-CG 4.11Å |
| 241 | R | 93.4 | Very high | 83.1 | Confident | 8 Ų | 8 | 36 Ų | 36 | 3% | 0.03 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 156.3 | -174.5 | -66.7 | -63.9 | 171 | 148.9 | 3.7 | 113.1 | V209 K212 R245 W247 | V209-R241 PolarHBondContact O-NH2 3.35Å; K212-R241 PolarHBondContact O-NH1 2.98Å; R241-R245 HydrophobicContact CB-CB 4.05Å; R241-R245 PolarHBondContact N-O 3.35Å; R241-R245 PolarHBondContact O-N 3.02Å; R241-W247 HydrophobicContact CG-CD2 3.75Å; R241-W247 HydrophobicContact CG-CE3 4.29Å; R241-W247 HydrophobicContact CG-CG 3.89Å; R241-W247 HydrophobicContact CG-CZ2 4.37Å |
| 242 | P | 92.6 | Very high | 85.2 | Confident | 50 Ų | 50 | 33.6 Ų | 33.6 | 33% | 0.325 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 135.5 | -176.3 | -26.2 | 31.3 | 0 | 0 | 0 | 115.5 | R214 Y218 R245 | R214-P242 HydrophobicContact CB-CG 4.15Å; Y218-P242 HydrophobicContact CE1-CG 4.42Å; Y218-P242 HydrophobicContact CE2-CG 4.04Å; Y218-P242 WeakPolarHBondContact OH-CA 3.33Å; Y218-P242 WeakPolarHBondContact OH-CG 3.31Å; P242-R245 PolarHBondContact O-NH1 3.01Å |
| 243 | G | 90.6 | Very high | 87.1 | Confident | 22 Ų | 22 | 30.2 Ų | 30.2 | 23% | 0.227 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.6 | 46.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | R245 | G243-R245 PolarHBondContact O-N 3.04Š|
| 244 | S | 92.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 46.5 | -178.4 | -41.1 | 0 | 0 | 0 | 0 | 113 | F261 Q289 S290 L291 | S244-F261 PolarHBondContact O-N 3.43Å; S244-Q289 PolarHBondContact OG-O 3.42Å; S244-S290 WeakPolarHBondContact OG-CA 3.37Å; S244-L291 PolarHBondContact N-O 3.23Å; S244-L291 PolarHBondContact OG-N 2.88Å |
| 245 | R | 93.1 | Very high | 90.2 | Very high | 98 Ų | 98 | 29 Ų | 29 | 37% | 0.37 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 146.9 | -178.4 | -64.1 | -168.1 | 177.4 | 104 | -8.1 | 112.4 | R241 P242 G243 H259 Q260 | R241-R245 HydrophobicContact CB-CB 4.05Å; R241-R245 PolarHBondContact N-O 3.35Å; R241-R245 PolarHBondContact O-N 3.02Å; P242-R245 PolarHBondContact O-NH1 3.01Å; G243-R245 PolarHBondContact O-N 3.04Å; R245-H259 VanDerWaalsContact CA-O 3.32Å; R245-H259 WeakPolarHBondContact CA-O 3.31Å; R245-Q260 HydrophobicContact CG-CG 4.19Å |
| 246 | I | 94.3 | Very high | 91.2 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 128.5 | 168.5 | -54.6 | -176.8 | 0 | 0 | 0 | 108.2 | Y238 H259 F261 F293 L296 L304 F315 | Y238-I246 HydrophobicContact CD1-CG2 3.88Å; Y238-I246 HydrophobicContact CG-CG2 4.36Å; I246-H259 HydrophobicContact CB-CB 4.44Å; I246-H259 PolarHBondContact N-O 3.26Å; I246-H259 PolarHBondContact O-N 3Å; I246-F261 HydrophobicContact CB-CE2 4.19Å; I246-F261 HydrophobicContact CD1-CD2 4.37Å; I246-F261 HydrophobicContact CD1-CE2 3.78Å; I246-F261 HydrophobicContact CG1-CD2 4.26Å; I246-F261 HydrophobicContact CG1-CE2 3.87Å; I246-F293 HydrophobicContact CD1-CD2 4.19Å; I246-F293 HydrophobicContact CD1-CE2 4.22Å; I246-F293 HydrophobicContact CG1-CD2 3.86Å; I246-F293 HydrophobicContact CG1-CE2 3.88Å; I246-L296 HydrophobicContact CD1-CD1 4.32Å; I246-L296 HydrophobicContact CD1-CD2 4.02Å; I246-L296 HydrophobicContact CG2-CD1 4.19Å; I246-L304 HydrophobicContact CD1-CD1 4.33Å; I246-F315 HydrophobicContact CD1-CD2 4.01Å; I246-F315 HydrophobicContact CD1-CE2 4.3Å |
| 247 | W | 93.7 | Very high | 91.4 | Very high | 28 Ų | 28 | 32 Ų | 32 | 11% | 0.106 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 132.7 | 167.3 | -72.2 | -6.6 | 0 | 0 | 0 | 109.7 | K212 Y238 C239 R241 V255 T258 | K212-W247 HydrophobicContact CB-CH2 3.83Å; K212-W247 HydrophobicContact CB-CZ2 4.19Å; K212-W247 HydrophobicContact CG-CH2 4.4Å; Y238-W247 CarbonylContact C-O 3.59Å; Y238-W247 WeakPolarHBondContact CA-O 3.44Å; C239-W247 HydrophobicContact CB-CB 4.37Å; C239-W247 PolarHBondContact N-O 2.98Å; C239-W247 PolarHBondContact O-N 3.25Å; R241-W247 HydrophobicContact CG-CD2 3.75Å; R241-W247 HydrophobicContact CG-CE3 4.29Å; R241-W247 HydrophobicContact CG-CG 3.89Å; R241-W247 HydrophobicContact CG-CZ2 4.37Å; W247-V255 HydrophobicContact CB-CG1 4.04Å; W247-V255 HydrophobicContact CB-CG2 4.44Å; W247-V255 HydrophobicContact CD2-CG1 4.17Å; W247-V255 HydrophobicContact CD2-CG2 3.88Å; W247-V255 HydrophobicContact CE3-CG2 3.44Å; W247-V255 VanDerWaalsContact CE3-CG2 3.44Å; W247-V255 HydrophobicContact CG-CG1 3.94Å; W247-V255 HydrophobicContact CG-CG2 4.34Å; W247-V255 HydrophobicContact CZ3-CG2 3.93Å; W247-T258 PolarHBondContact NE1-OG1 3.06Å |
| 248 | E | 92.8 | Very high | 91.4 | Very high | 33 Ų | 33 | 34.9 Ų | 34.9 | 15% | 0.154 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 129 | 166 | -177.9 | -172.9 | 144.1 | 0 | 0 | 107.4 | L236 Y238 V255 L256 S257 H259 | L236-E248 HydrophobicContact CD1-CG 4.26Å; Y238-E248 HydrophobicContact CD1-CB 4.15Å; Y238-E248 HydrophobicContact CD1-CG 4.43Å; Y238-E248 HydrophobicContact CE1-CB 3.73Å; Y238-E248 HydrophobicContact CE1-CG 3.66Å; E248-V255 CarbonylContact O-C 3.57Å; E248-L256 PolarHBondContact O-N 2.87Å; E248-S257 WeakPolarHBondContact CB-OG 3.31Å; E248-S257 PolarHBondContact N-O 3.48Å; E248-S257 PolarHBondContact O-N 3.02Å; E248-S257 PolarHBondContact OE2-OG 3.01Å; E248-H259 IonicContact OE2-CD2 3.36Å; E248-H259 IonicContact OE2-CE1 3.9Å; E248-H259 IonicContact OE2-NE2 3.72Å; E248-H259 PolarHBondContact OE2-NE2 2.89Å |
| 249 | A | 91.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 152.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V209 L237 E254 | V209-A249 HydrophobicContact CG1-CB 3.86Å; L237-A249 HydrophobicContact CD1-CB 3.94Å; L237-A249 HydrophobicContact CG-CB 4.02Å; L237-A249 PolarHBondContact N-O 3.38Å; L237-A249 PolarHBondContact O-N 3.39Å; A249-E254 CarbonylContact C-O 3.52Å; A249-E254 WeakPolarHBondContact CA-O 3.21Å; A249-E254 VanDerWaalsContact CB-O 3.29Å; A249-E254 WeakPolarHBondContact CB-O 3.38Å |
| 250 | N | 89.3 | Confident | 91.3 | Very high | 22 Ų | 22 | 41.2 Ų | 41.2 | 12% | 0.118 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 172.8 | 173.7 | 73 | 12.1 | 0 | 0 | 0 | 111.5 | N252 G253 E254 L256 | N250-N252 PolarHBondContact O-N 3.07Å; N250-N252 WeakPolarHBondContact OD1-CA 3.27Å; N250-N252 VanDerWaalsContact OD1-CB 3.3Å; N250-N252 WeakPolarHBondContact OD1-CB 3.5Å; N250-N252 PolarHBondContact OD1-N 2.98Å; N250-G253 PolarHBondContact O-N 2.95Å; N250-G253 PolarHBondContact OD1-N 2.98Å; N250-E254 PolarHBondContact N-O 2.94Å; N250-E254 PolarHBondContact ND2-OE2 3.24Å; N250-E254 WeakPolarHBondContact OD1-CB 3.4Å; N250-E254 PolarHBondContact OD1-N 3.17Å; N250-L256 HydrophobicContact CB-CD1 4.24Å; N250-L256 HydrophobicContact CB-CD2 4.26Å; N250-L256 HydrophobicContact CB-CG 4.36Å |
| 251 | F | 87.1 | Confident | 91.2 | Very high | 15 Ų | 15 | 41.3 Ų | 41.3 | 7% | 0.066 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | 9.3 | 177.5 | -83.9 | 29.8 | 0 | 0 | 0 | 114.7 | D185 R187 L198 F222 P235 L237 | D185-F251 HydrophobicContact CB-CE2 4.38Å; R187-F251 PolarHBondContact NH1-O 3.47Å; L198-F251 VanDerWaalsContact CD2-O 3.27Å; L198-F251 WeakPolarHBondContact CD2-O 3.43Å; F222-F251 HydrophobicContact CD1-CD1 4.47Å; F222-F251 AromaticContact CD1-CE1 3.41Å; F222-F251 HydrophobicContact CD1-CE1 3.41Å; F222-F251 VanDerWaalsContact CD1-CE1 3.41Å; F222-F251 AromaticContact CD1-CZ 3.45Å; F222-F251 HydrophobicContact CD1-CZ 3.45Å; F222-F251 VanDerWaalsContact CD1-CZ 3.45Å; F222-F251 HydrophobicContact CE1-CD1 4.26Å; F222-F251 AromaticContact CE1-CE1 3.52Å; F222-F251 HydrophobicContact CE1-CE1 3.52Å; F222-F251 HydrophobicContact CE1-CE2 4.34Å; F222-F251 AromaticContact CE1-CZ 3.54Å; F222-F251 HydrophobicContact CE1-CZ 3.54Å; F222-F251 HydrophobicContact CG-CZ 4.33Å; F222-F251 HydrophobicContact CZ-CZ 4.47Å; P235-F251 HydrophobicContact CB-CD1 4.31Å; P235-F251 HydrophobicContact CB-CD2 4.32Å; P235-F251 HydrophobicContact CB-CE1 3.8Å; P235-F251 HydrophobicContact CB-CE2 3.85Å; P235-F251 HydrophobicContact CB-CZ 3.58Å; P235-F251 HydrophobicContact CG-CD1 4.17Å; P235-F251 HydrophobicContact CG-CD2 3.58Å; P235-F251 HydrophobicContact CG-CE1 4.07Å; P235-F251 HydrophobicContact CG-CE2 3.51Å; P235-F251 HydrophobicContact CG-CG 3.96Å; P235-F251 HydrophobicContact CG-CZ 3.78Å; P235-F251 WeakPolarHBondContact O-CD1 3.32Å; P235-F251 WeakPolarHBondContact O-CE1 3.22Å; L237-F251 HydrophobicContact CD2-CD1 4.42Å |
| 252 | N | 84.4 | Confident | 91.1 | Very high | 100 Ų | 100 | 45 Ų | 45 | 54% | 0.535 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -6.2 | 164.5 | -55 | -28.2 | 0 | 0 | 0 | 112.2 | N250 E254 | N250-N252 PolarHBondContact O-N 3.07Å; N250-N252 WeakPolarHBondContact OD1-CA 3.27Å; N250-N252 VanDerWaalsContact OD1-CB 3.3Å; N250-N252 WeakPolarHBondContact OD1-CB 3.5Å; N250-N252 PolarHBondContact OD1-N 2.98Å; N252-E254 HydrophobicContact CB-CG 4.04Å; N252-E254 WeakPolarHBondContact CB-OE2 3.36Å; N252-E254 PolarHBondContact ND2-OE2 2.95Å |
| 253 | G | 85.8 | Confident | 91 | Very high | 4 Ų | 4 | 51 Ų | 51 | 4% | 0.041 | 25% | 0.253 | C | S | . | . | S | Bend | trans | 84.5 | 7.9 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | V209 G210 N250 | V209-G253 WeakPolarHBondContact CA-O 3.36Å; G210-G253 PolarHBondContact N-O 2.89Å; N250-G253 PolarHBondContact O-N 2.95Å; N250-G253 PolarHBondContact OD1-N 2.98Å |
| 254 | E | 90 | Very high | 90.9 | Very high | 108 Ų | 108 | 54 Ų | 54 | 51% | 0.505 | 26% | 0.264 | S | S | . | . | trans | -81.6 | 128.6 | 177.8 | -56.4 | 166.3 | 120.9 | 0 | 0 | 109.4 | A249 N250 N252 L256 | A249-E254 CarbonylContact C-O 3.52Å; A249-E254 WeakPolarHBondContact CA-O 3.21Å; A249-E254 VanDerWaalsContact CB-O 3.29Å; A249-E254 WeakPolarHBondContact CB-O 3.38Å; N250-E254 PolarHBondContact N-O 2.94Å; N250-E254 PolarHBondContact ND2-OE2 3.24Å; N250-E254 WeakPolarHBondContact OD1-CB 3.4Å; N250-E254 PolarHBondContact OD1-N 3.17Å; N252-E254 HydrophobicContact CB-CG 4.04Å; N252-E254 WeakPolarHBondContact CB-OE2 3.36Å; N252-E254 PolarHBondContact ND2-OE2 2.95Å; E254-L256 PolarHBondContact O-N 2.88Å | ||
| 255 | V | 92.6 | Very high | 90.8 | Very high | 51 Ų | 51 | 54 Ų | 54 | 31% | 0.309 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 119 | -179.1 | 179.2 | 0 | 0 | 0 | 0 | 109.2 | W247 E248 S257 | W247-V255 HydrophobicContact CB-CG1 4.04Å; W247-V255 HydrophobicContact CB-CG2 4.44Å; W247-V255 HydrophobicContact CD2-CG1 4.17Å; W247-V255 HydrophobicContact CD2-CG2 3.88Å; W247-V255 HydrophobicContact CE3-CG2 3.44Å; W247-V255 VanDerWaalsContact CE3-CG2 3.44Å; W247-V255 HydrophobicContact CG-CG1 3.94Å; W247-V255 HydrophobicContact CG-CG2 4.34Å; W247-V255 HydrophobicContact CZ3-CG2 3.93Å; E248-V255 CarbonylContact O-C 3.57Å; V255-S257 VanDerWaalsContact CG1-O 3.3Å; V255-S257 WeakPolarHBondContact CG1-O 3.41Å |
| 256 | L | 90.8 | Very high | 90.6 | Very high | 94 Ų | 94 | 50.9 Ų | 50.9 | 49% | 0.492 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | -45.6 | 179 | -54.7 | -177.3 | 0 | 0 | 0 | 111.2 | L236 E248 N250 E254 | L236-L256 HydrophobicContact CD2-CD1 3.62Å; E248-L256 PolarHBondContact O-N 2.87Å; N250-L256 HydrophobicContact CB-CD1 4.24Å; N250-L256 HydrophobicContact CB-CD2 4.26Å; N250-L256 HydrophobicContact CB-CG 4.36Å; E254-L256 PolarHBondContact O-N 2.88Å |
| 257 | S | 90.3 | Very high | 90.3 | Very high | 34 Ų | 34 | 52 Ų | 52 | 24% | 0.238 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 167.8 | -174.3 | 98.4 | 0 | 0 | 0 | 0 | 112.4 | E248 V255 H259 | E248-S257 WeakPolarHBondContact CB-OG 3.31Å; E248-S257 PolarHBondContact N-O 3.48Å; E248-S257 PolarHBondContact O-N 3.02Å; E248-S257 PolarHBondContact OE2-OG 3.01Å; V255-S257 VanDerWaalsContact CG1-O 3.3Å; V255-S257 WeakPolarHBondContact CG1-O 3.41Å; S257-H259 PolarHBondContact OG-CD2 3.3Å; S257-H259 PolarHBondContact OG-NE2 2.94Å; S257-H259 VanDerWaalsContact OG-NE2 3.08Å |
| 258 | T | 92.9 | Very high | 90.1 | Very high | 61 Ų | 61 | 51.3 Ų | 51.3 | 37% | 0.374 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 99.2 | 174.5 | -67 | 0 | 0 | 0 | 0 | 109.7 | W247 Q260 | W247-T258 PolarHBondContact NE1-OG1 3.06Å; T258-Q260 HydrophobicContact CG2-CG 4.09Å |
| 259 | H | 92 | Very high | 90 | Very high | 26 Ų | 26 | 51.2 Ų | 51.2 | 12% | 0.12 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 134.3 | 174.1 | -61.4 | -82.3 | 0 | 0 | 0 | 109.9 | R245 I246 E248 S257 F261 P317 G320 | R245-H259 VanDerWaalsContact CA-O 3.32Å; R245-H259 WeakPolarHBondContact CA-O 3.31Å; I246-H259 HydrophobicContact CB-CB 4.44Å; I246-H259 PolarHBondContact N-O 3.26Å; I246-H259 PolarHBondContact O-N 3Å; E248-H259 IonicContact OE2-CD2 3.36Å; E248-H259 IonicContact OE2-CE1 3.9Å; E248-H259 IonicContact OE2-NE2 3.72Å; E248-H259 PolarHBondContact OE2-NE2 2.89Å; S257-H259 PolarHBondContact OG-CD2 3.3Å; S257-H259 PolarHBondContact OG-NE2 2.94Å; S257-H259 VanDerWaalsContact OG-NE2 3.08Å; H259-F261 HydrophobicContact CB-CD2 4.34Å; H259-F261 HydrophobicContact CB-CE2 3.5Å; H259-F261 VanDerWaalsContact CB-CE2 3.5Å; H259-F261 HydrophobicContact CB-CZ 3.71Å; H259-P317 PolarHBondContact CE1-O 3.48Å; H259-G320 WeakPolarHBondContact ND1-CA 3.38Å |
| 260 | Q | 92.8 | Very high | 90.1 | Very high | 111 Ų | 111 | 51.2 Ų | 51.2 | 52% | 0.519 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 80.9 | -171.5 | -64.2 | -165.7 | 89.7 | 0 | 0 | 112.2 | R245 T258 K262 | R245-Q260 HydrophobicContact CG-CG 4.19Å; T258-Q260 HydrophobicContact CG2-CG 4.09Å; Q260-K262 VanDerWaalsContact C-N 3.31Å; Q260-K262 PolarHBondContact O-N 3.48Å |
| 261 | F | 92.1 | Very high | 90.1 | Very high | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.009 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -12.8 | -172.1 | -60.2 | -75.9 | 0 | 0 | 0 | 114.8 | S244 I246 H259 K263 L264 L265 F293 F315 G320 V322 | S244-F261 PolarHBondContact O-N 3.43Å; I246-F261 HydrophobicContact CB-CE2 4.19Å; I246-F261 HydrophobicContact CD1-CD2 4.37Å; I246-F261 HydrophobicContact CD1-CE2 3.78Å; I246-F261 HydrophobicContact CG1-CD2 4.26Å; I246-F261 HydrophobicContact CG1-CE2 3.87Å; H259-F261 HydrophobicContact CB-CD2 4.34Å; H259-F261 HydrophobicContact CB-CE2 3.5Å; H259-F261 VanDerWaalsContact CB-CE2 3.5Å; H259-F261 HydrophobicContact CB-CZ 3.71Å; F261-K263 PolarHBondContact O-N 2.87Å; F261-L264 HydrophobicContact CD1-CD1 3.97Å; F261-L264 HydrophobicContact CE1-CD1 4.44Å; F261-L264 WeakPolarHBondContact O-CA 3.3Å; F261-L264 PolarHBondContact O-N 2.66Å; F261-L265 HydrophobicContact CB-CD1 4.12Å; F261-L265 HydrophobicContact CB-CG 4.21Å; F261-L265 WeakPolarHBondContact O-CG 3.23Å; F261-L265 PolarHBondContact O-N 2.99Å; F261-F293 HydrophobicContact CB-CZ 4.45Å; F261-F293 HydrophobicContact CD2-CE2 4.23Å; F261-F293 HydrophobicContact CD2-CZ 4.48Å; F261-F315 HydrophobicContact CB-CE1 4.08Å; F261-F315 HydrophobicContact CB-CZ 4.49Å; F261-F315 AromaticContact CD1-CD1 3.52Å; F261-F315 HydrophobicContact CD1-CD1 3.52Å; F261-F315 AromaticContact CD1-CE1 3.78Å; F261-F315 HydrophobicContact CD1-CE1 3.78Å; F261-F315 HydrophobicContact CD1-CG 4.24Å; F261-F315 HydrophobicContact CD2-CD1 4.35Å; F261-F315 HydrophobicContact CD2-CE1 4.31Å; F261-F315 HydrophobicContact CD2-CZ 4.46Å; F261-F315 HydrophobicContact CE1-CB 4.02Å; F261-F315 AromaticContact CE1-CD1 3.6Å; F261-F315 HydrophobicContact CE1-CD1 3.6Å; F261-F315 HydrophobicContact CE1-CE1 4.31Å; F261-F315 AromaticContact CE1-CG 3.94Å; F261-F315 HydrophobicContact CE1-CG 3.94Å; F261-F315 HydrophobicContact CE2-CD1 4.41Å; F261-F315 HydrophobicContact CE2-CD2 4.49Å; F261-F315 HydrophobicContact CE2-CG 4.27Å; F261-F315 AromaticContact CG-CD1 3.92Å; F261-F315 HydrophobicContact CG-CD1 3.92Å; F261-F315 AromaticContact CG-CE1 3.78Å; F261-F315 HydrophobicContact CG-CE1 3.78Å; F261-F315 HydrophobicContact CG-CZ 4.28Å; F261-F315 HydrophobicContact CZ-CB 3.94Å; F261-F315 HydrophobicContact CZ-CD1 4.06Å; F261-F315 AromaticContact CZ-CG 3.95Å; F261-F315 HydrophobicContact CZ-CG 3.95Å; F261-G320 WeakPolarHBondContact CE1-O 3.46Å; F261-V322 HydrophobicContact CD1-CG2 3.88Å |
| 262 | K | 92.2 | Very high | 90.4 | Very high | 85 Ų | 85 | 52.2 Ų | 52.2 | 37% | 0.37 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -37.2 | -175.8 | 174.7 | 159.5 | -174.8 | 169.9 | 0 | 114.5 | Q260 P288 Q289 S290 | Q260-K262 VanDerWaalsContact C-N 3.31Å; Q260-K262 PolarHBondContact O-N 3.48Å; K262-P288 HydrophobicContact CG-CB 4.34Å; K262-P288 CarbonylContact O-C 3.56Å; K262-P288 VanDerWaalsContact O-CA 3.3Å; K262-P288 WeakPolarHBondContact O-CA 3.24Å; K262-P288 VanDerWaalsContact O-CB 3.31Å; K262-P288 WeakPolarHBondContact O-CB 3.26Å; K262-Q289 WeakPolarHBondContact CA-O 3.34Å; K262-Q289 WeakPolarHBondContact CG-O 3.24Å; K262-Q289 PolarHBondContact O-N 2.93Å; K262-S290 VanDerWaalsContact NZ-CB 3.26Å; K262-S290 PolarHBondContact NZ-OG 2.96Å |
| 263 | K | 90.1 | Very high | 90.8 | Very high | 176 Ų | 176 | 47.6 Ų | 47.6 | 77% | 0.765 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -30.3 | 175 | -71.1 | -170.9 | 177 | -173.9 | 0 | 113.3 | F261 L265 A266 | F261-K263 PolarHBondContact O-N 2.87Å; K263-L265 VanDerWaalsContact C-N 3.35Å; K263-A266 VanDerWaalsContact O-CB 3.26Å; K263-A266 WeakPolarHBondContact O-CB 3.2Å; K263-A266 PolarHBondContact O-N 2.86Å |
| 264 | L | 88.5 | Confident | 91 | Very high | 85 Ų | 85 | 47.8 Ų | 47.8 | 45% | 0.445 | 25% | 0.25 | S | S | . | . | G | 310 helix | trans | -74.6 | -28.7 | -178.8 | -56.4 | 177 | 0 | 0 | 0 | 111.7 | F261 A266 C267 G320 V322 | F261-L264 HydrophobicContact CD1-CD1 3.97Å; F261-L264 HydrophobicContact CE1-CD1 4.44Å; F261-L264 WeakPolarHBondContact O-CA 3.3Å; F261-L264 PolarHBondContact O-N 2.66Å; L264-A266 PolarHBondContact O-N 3.12Å; L264-A266 VanDerWaalsContact O-N 3.14Å; L264-C267 PolarHBondContact O-SG 3.48Å; L264-G320 VanDerWaalsContact CD1-O 3.22Å; L264-G320 WeakPolarHBondContact CD1-O 3.47Å; L264-V322 HydrophobicContact CB-CG2 3.63Å |
| 265 | L | 90.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -72.3 | 8.8 | 171.2 | -66.2 | 170.3 | 0 | 0 | 0 | 114.1 | F261 K263 S286 Q289 L291 F293 Y313 F315 V322 | F261-L265 HydrophobicContact CB-CD1 4.12Å; F261-L265 HydrophobicContact CB-CG 4.21Å; F261-L265 WeakPolarHBondContact O-CG 3.23Å; F261-L265 PolarHBondContact O-N 2.99Å; K263-L265 VanDerWaalsContact C-N 3.35Å; L265-S286 PolarHBondContact O-OG 2.87Å; L265-Q289 HydrophobicContact CB-CB 3.91Å; L265-Q289 HydrophobicContact CB-CG 4.17Å; L265-Q289 HydrophobicContact CD1-CB 4.25Å; L265-Q289 PolarHBondContact O-NE2 3.43Å; L265-L291 HydrophobicContact CD1-CD1 3.91Å; L265-F293 HydrophobicContact CD1-CZ 4.49Å; L265-Y313 HydrophobicContact CD2-CD1 3.53Å; L265-Y313 HydrophobicContact CD2-CE1 3.84Å; L265-F315 HydrophobicContact CD2-CE1 4.11Å; L265-V322 HydrophobicContact CD2-CG1 4.39Å; L265-V322 HydrophobicContact CD2-CG2 4.21Å |
| 266 | A | 88.9 | Confident | 90.1 | Very high | 32 Ų | 32 | 50 Ų | 50 | 26% | 0.264 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -86.7 | 16.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | K263 L264 S286 P288 | K263-A266 VanDerWaalsContact O-CB 3.26Å; K263-A266 WeakPolarHBondContact O-CB 3.2Å; K263-A266 PolarHBondContact O-N 2.86Å; L264-A266 PolarHBondContact O-N 3.12Å; L264-A266 VanDerWaalsContact O-N 3.14Å; A266-S286 VanDerWaalsContact CA-OG 3.28Å; A266-S286 WeakPolarHBondContact CA-OG 3.31Å; A266-S286 PolarHBondContact O-OG 3.28Å; A266-P288 HydrophobicContact CB-CG 4.08Å |
| 267 | C | 87.8 | Confident | 89.7 | Confident | 24 Ų | 24 | 51.1 Ų | 51.1 | 16% | 0.162 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -84.9 | 147.6 | 163.4 | 57.5 | 0 | 0 | 0 | 0 | 110.8 | L264 S286 W325 | L264-C267 PolarHBondContact O-SG 3.48Å; C267-S286 PolarHBondContact N-OG 2.87Å; C267-S286 PolarHBondContact O-OG 2.7Å; C267-W325 WeakPolarHBondContact O-CZ2 3.38Å; C267-W325 PolarHBondContact O-NE1 2.91Å; C267-W325 VanDerWaalsContact SG-CD1 3.6Å; C267-W325 PolarHBondContact SG-NE1 2.87Å; C267-W325 VanDerWaalsContact SG-NE1 3.43Å |
| 268 | P | 89.6 | Confident | 89.3 | Confident | 14 Ų | 14 | 56.5 Ų | 56.5 | 9% | 0.091 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 156.5 | 169.7 | 26.6 | -35.5 | 0 | 0 | 0 | 111.9 | Y281 N282 W325 | P268-Y281 HydrophobicContact CB-CE2 4.01Å; P268-Y281 HydrophobicContact CG-CE2 3.71Å; P268-Y281 WeakPolarHBondContact CG-OH 3.4Å; P268-N282 WeakPolarHBondContact CB-O 3.5Å; P268-W325 PolarHBondContact O-NE1 3.38Å |
| 269 | P | 91.6 | Very high | 89 | Confident | 31 Ų | 31 | 54.4 Ų | 54.4 | 20% | 0.201 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 144.5 | 177.2 | 28.5 | -32.1 | 0 | 0 | 0 | 111 | Y281 W325 E327 | P269-Y281 WeakPolarHBondContact O-CD2 3.3Å; P269-W325 WeakPolarHBondContact CA-O 3.46Å; P269-W325 HydrophobicContact CB-CD2 4.08Å; P269-W325 HydrophobicContact CB-CE3 4.01Å; P269-W325 HydrophobicContact CB-CH2 3.71Å; P269-W325 HydrophobicContact CB-CZ2 3.77Å; P269-W325 HydrophobicContact CB-CZ3 3.83Å; P269-W325 VanDerWaalsContact CD-CZ2 3.47Å; P269-W325 HydrophobicContact CG-CH2 3.89Å; P269-W325 HydrophobicContact CG-CZ2 4.05Å; P269-W325 HydrophobicContact CG-CZ3 4.39Å; P269-E327 HydrophobicContact CB-CG 4.21Å; P269-E327 HydrophobicContact CG-CG 4.28Å |
| 270 | L | 92.6 | Very high | 88.5 | Confident | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -80.3 | 133.3 | 164.6 | -56.2 | -171.1 | 0 | 0 | 0 | 108.7 | V7 H11 H13 Y281 L324 W325 T326 F381 | V7-L270 HydrophobicContact CG1-CD2 3.59Å; H11-L270 HydrophobicContact CB-CD1 3.89Å; H11-L270 HydrophobicContact CB-CD2 4.41Å; H13-L270 WeakPolarHBondContact O-CD1 3.41Å; L270-Y281 HydrophobicContact CD2-CE2 4.23Å; L270-L324 HydrophobicContact CD1-CB 3.58Å; L270-L324 HydrophobicContact CD1-CD2 4.42Å; L270-L324 HydrophobicContact CG-CB 4.2Å; L270-W325 PolarHBondContact N-O 2.92Å; L270-T326 WeakPolarHBondContact O-CA 3.37Å; L270-T326 WeakPolarHBondContact O-CB 3.37Å; L270-T326 WeakPolarHBondContact O-CG2 3.38Å; L270-T326 PolarHBondContact O-OG1 3.31Å; L270-F381 HydrophobicContact CD1-CZ 4.45Å |
| 271 | P | 90.6 | Very high | 88.3 | Confident | 19 Ų | 19 | 54.6 Ų | 54.6 | 12% | 0.123 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 148.1 | 179.7 | 28.2 | -33.6 | 0 | 0 | 0 | 111.4 | I273 P279 M380 | P271-I273 PolarHBondContact O-N 3.4Å; P271-P279 HydrophobicContact CB-CB 4.18Å; P271-P279 HydrophobicContact CG-CB 4.11Å; P271-M380 HydrophobicContact CG-CE 3.61Å |
| 272 | L | 92.2 | Very high | 87.9 | Confident | 39 Ų | 39 | 59.3 Ų | 59.3 | 20% | 0.204 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 122.7 | 171.9 | -169.9 | 67.8 | 0 | 0 | 0 | 109.5 | L15 T274 T326 L353 | L15-L272 HydrophobicContact CB-CD1 3.56Å; L272-T274 HydrophobicContact CB-CG2 4.23Å; L272-T274 HydrophobicContact CD2-CG2 3.61Å; L272-T274 HydrophobicContact CG-CG2 3.63Å; L272-T274 PolarHBondContact O-N 2.92Å; L272-T326 HydrophobicContact CB-CG2 3.75Å; L272-T326 HydrophobicContact CD1-CG2 4.18Å; L272-L353 HydrophobicContact CD1-CD1 3.81Å; L272-L353 HydrophobicContact CD1-CD2 4.04Å; L272-L353 HydrophobicContact CD1-CG 4.42Å; L272-L353 HydrophobicContact CD2-CD1 4.24Å; L272-L353 HydrophobicContact CD2-CD2 4Å; L272-L353 HydrophobicContact CG-CD2 4.48Å |
| 273 | I | 93 | Very high | 87.4 | Confident | 3 Ų | 3 | 58.9 Ų | 58.9 | 2% | 0.015 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 115.3 | 175.3 | -52.2 | -52.5 | 0 | 0 | 0 | 108.2 | L14 L15 A16 E17 P271 P279 L365 V377 | L14-I273 HydrophobicContact CD1-CB 4.48Å; L14-I273 HydrophobicContact CD1-CG1 3.83Å; L14-I273 HydrophobicContact CD2-CG1 3.92Å; L14-I273 HydrophobicContact CG-CG1 4.39Å; L15-I273 PolarHBondContact O-N 2.94Å; A16-I273 CarbonylContact C-O 3.41Å; A16-I273 VanDerWaalsContact CA-O 3.26Å; A16-I273 WeakPolarHBondContact CA-O 3.31Å; A16-I273 HydrophobicContact CB-CB 4Å; E17-I273 PolarHBondContact N-O 3.21Å; P271-I273 PolarHBondContact O-N 3.4Å; I273-P279 HydrophobicContact CD1-CB 3.61Å; I273-P279 HydrophobicContact CD1-CG 4.09Å; I273-L365 HydrophobicContact CG2-CD1 4.28Å; I273-V377 HydrophobicContact CD1-CG2 3.78Å; I273-V377 HydrophobicContact CG1-CG2 4.1Å; I273-V377 HydrophobicContact CG2-CG2 4.19Å |
| 274 | T | 89.6 | Confident | 86.9 | Confident | 7 Ų | 7 | 53.2 Ų | 53.2 | 4% | 0.043 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 159.1 | -179.4 | 73.3 | 0 | 0 | 0 | 0 | 110.4 | E17 L272 R276 N277 L373 | E17-T274 HydrophobicContact CB-CG2 3.85Å; L272-T274 HydrophobicContact CB-CG2 4.23Å; L272-T274 HydrophobicContact CD2-CG2 3.61Å; L272-T274 HydrophobicContact CG-CG2 3.63Å; L272-T274 PolarHBondContact O-N 2.92Å; T274-R276 PolarHBondContact OG1-N 2.87Å; T274-N277 PolarHBondContact OG1-N 3.1Å; T274-N277 PolarHBondContact OG1-O 2.83Å; T274-L373 WeakPolarHBondContact O-CD1 3.27Å |
| 275 | Y | 82.8 | Confident | 86 | Confident | 103 Ų | 103 | 58.1 Ų | 58.1 | 40% | 0.404 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -78.6 | -3.8 | 165.6 | 58.1 | -87 | 0 | 0 | 0 | 112.8 | E17 C20 | E17-Y275 HydrophobicContact CG-CE1 3.95Å; E17-Y275 PolarHBondContact OE1-OH 3.3Å; C20-Y275 VanDerWaalsContact CA-OH 3.29Å; C20-Y275 WeakPolarHBondContact CA-OH 3.48Å; C20-Y275 HydrophobicContact CB-CE1 4.4Å; C20-Y275 HydrophobicContact CB-CE2 4.18Å; C20-Y275 WeakPolarHBondContact CB-OH 3.41Å; C20-Y275 PolarHBondContact SG-OH 3.43Å |
| 276 | R | 82.4 | Confident | 85.3 | Confident | 103 Ų | 103 | 59.5 Ų | 59.5 | 39% | 0.389 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -91.8 | -38.1 | -175.3 | -55.3 | -177.7 | -168.8 | -112.7 | 9.3 | 113 | E17 D22 T274 | E17-R276 IonicContact OE1-CZ 2.86Å; E17-R276 VanDerWaalsContact OE1-CZ 3.3Å; E17-R276 IonicContact OE1-NE 3.52Å; E17-R276 PolarHBondContact OE1-NE 2.72Å; E17-R276 IonicContact OE1-NH2 2.76Å; E17-R276 PolarHBondContact OE1-NH2 3.27Å; E17-R276 WeakPolarHBondContact OE2-CD 3.35Å; E17-R276 IonicContact OE2-CZ 2.8Å; E17-R276 IonicContact OE2-NE 3.65Å; E17-R276 PolarHBondContact OE2-NE 2.9Å; D22-R276 IonicContact OD1-CZ 3.3Å; D22-R276 IonicContact OD1-NH1 2.76Å; D22-R276 PolarHBondContact OD1-NH1 2.96Å; D22-R276 IonicContact OD1-NH2 3.44Å; D22-R276 PolarHBondContact OD1-NH2 3.33Å; D22-R276 IonicContact OD2-CZ 3.94Å; D22-R276 IonicContact OD2-NH1 3.63Å; D22-R276 PolarHBondContact OD2-NH1 2.99Å; D22-R276 IonicContact OD2-NH2 3.54Å; T274-R276 PolarHBondContact OG1-N 2.87Å |
| 277 | N | 81.8 | Confident | 85 | Confident | 117 Ų | 117 | 62.6 Ų | 62.6 | 63% | 0.626 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -134.5 | 141.7 | -175.3 | -56.8 | -54.7 | 0 | 0 | 0 | 109.8 | T274 | T274-N277 PolarHBondContact OG1-N 3.1Å; T274-N277 PolarHBondContact OG1-O 2.83Å |
| 278 | E | 82.1 | Confident | 85 | Confident | 147 Ų | 147 | 64.9 Ų | 64.9 | 69% | 0.687 | 35% | 0.352 | S | S | * | . | trans | -63.7 | 135.3 | 169.2 | -63.4 | -173.6 | 150.9 | 0 | 0 | 110.5 | M1 N280 | M1-E278 WeakPolarHBondContact CE-OE1 3.16Å; M1-E278 WeakPolarHBondContact CE-OE2 3.45Å; E278-N280 PolarHBondContact O-N 3.18Å | ||
| 279 | P | 85.9 | Confident | 84.9 | Confident | 17 Ų | 17 | 65.7 Ų | 65.7 | 11% | 0.11 | 35% | 0.354 | C | S | . | . | trans | -74.5 | 113 | -178 | 30.1 | -34.2 | 0 | 0 | 0 | 110.6 | P271 I273 L373 T376 M380 | P271-P279 HydrophobicContact CB-CB 4.18Å; P271-P279 HydrophobicContact CG-CB 4.11Å; I273-P279 HydrophobicContact CD1-CB 3.61Å; I273-P279 HydrophobicContact CD1-CG 4.09Å; P279-L373 HydrophobicContact CG-CD2 4.31Å; P279-T376 HydrophobicContact CG-CG2 3.71Å; P279-M380 HydrophobicContact CB-SD 4.35Å; P279-M380 HydrophobicContact CG-SD 4.43Å | ||
| 280 | N | 82.1 | Confident | 84.7 | Confident | 134 Ų | 134 | 67.7 Ų | 67.7 | 72% | 0.717 | 37% | 0.369 | S | S | * | . | trans | -111.2 | 110.1 | -179.6 | -174.3 | -9.8 | 0 | 0 | 0 | 110.3 | E278 | E278-N280 PolarHBondContact O-N 3.18Š| ||
| 281 | Y | 87.3 | Confident | 84.6 | Confident | 7 Ų | 7 | 69.1 Ų | 69.1 | 3% | 0.027 | 38% | 0.376 | C | S | . | . | trans | -95.5 | 124.2 | 173.4 | 175.3 | -119.7 | 0 | 0 | 0 | 110 | P5 V7 P8 P268 P269 L270 P283 M380 | P5-Y281 HydrophobicContact CB-CD1 4.14Å; P5-Y281 HydrophobicContact CG-CD1 4.04Å; P5-Y281 WeakPolarHBondContact CG-O 3.41Å; V7-Y281 HydrophobicContact CG2-CD1 4.02Å; V7-Y281 HydrophobicContact CG2-CE1 4.2Å; V7-Y281 HydrophobicContact CG2-CG 4.24Å; P8-Y281 WeakPolarHBondContact CD-OH 3.37Å; P268-Y281 HydrophobicContact CB-CE2 4.01Å; P268-Y281 HydrophobicContact CG-CE2 3.71Å; P268-Y281 WeakPolarHBondContact CG-OH 3.4Å; P269-Y281 WeakPolarHBondContact O-CD2 3.3Å; L270-Y281 HydrophobicContact CD2-CE2 4.23Å; Y281-P283 HydrophobicContact CE1-CB 4.04Å; Y281-M380 HydrophobicContact CG-CE 4.41Å | ||
| 282 | N | 85.2 | Confident | 84.6 | Confident | 101 Ų | 101 | 69.7 Ų | 69.7 | 54% | 0.54 | 39% | 0.386 | S | S | . | . | trans | -104.2 | 111.3 | 174.2 | -174.9 | -8.4 | 0 | 0 | 0 | 109.6 | P268 A284 | P268-N282 WeakPolarHBondContact CB-O 3.5Å; N282-A284 PolarHBondContact O-N 3.16Å; N282-A284 VanDerWaalsContact O-N 3.16Å; N282-A284 VanDerWaalsContact OD1-CB 3.28Å; N282-A284 WeakPolarHBondContact OD1-CB 3.44Å; N282-A284 PolarHBondContact OD1-N 3.45Å; N282-A284 VanDerWaalsContact OD1-N 3.12Å | ||
| 283 | P | 80.9 | Confident | 84.6 | Confident | 76 Ų | 76 | 67.9 Ų | 67.9 | 49% | 0.494 | 38% | 0.376 | S | S | . | . | trans | -74.4 | 2.3 | -177.5 | 30.8 | -36.1 | 0 | 0 | 0 | 114.3 | P5 Y281 Q285 | P5-P283 HydrophobicContact CB-CG 4.15Å; Y281-P283 HydrophobicContact CE1-CB 4.04Å; P283-Q285 PolarHBondContact O-N 3.45Å | ||
| 284 | A | 80.9 | Confident | 84.6 | Confident | 58 Ų | 58 | 69.2 Ų | 69.2 | 48% | 0.479 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -58.6 | 132.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | N282 S286 | N282-A284 PolarHBondContact O-N 3.16Å; N282-A284 VanDerWaalsContact O-N 3.16Å; N282-A284 VanDerWaalsContact OD1-CB 3.28Å; N282-A284 WeakPolarHBondContact OD1-CB 3.44Å; N282-A284 PolarHBondContact OD1-N 3.45Å; N282-A284 VanDerWaalsContact OD1-N 3.12Å; A284-S286 PolarHBondContact O-N 3.22Å |
| 285 | Q | 68 | Low | 84.8 | Confident | 188 Ų | 188 | 71 Ų | 71 | 88% | 0.879 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 128.1 | -179.7 | -71.4 | -176.9 | -11.1 | 0 | 0 | 111.5 | P283 | P283-Q285 PolarHBondContact O-N 3.45Š|
| 286 | S | 76.8 | Confident | 85.4 | Confident | 29 Ų | 29 | 66 Ų | 66 | 20% | 0.203 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -84 | 156.3 | 175.1 | 69.2 | 0 | 0 | 0 | 0 | 111 | L265 A266 C267 A284 | L265-S286 PolarHBondContact O-OG 2.87Å; A266-S286 VanDerWaalsContact CA-OG 3.28Å; A266-S286 WeakPolarHBondContact CA-OG 3.31Å; A266-S286 PolarHBondContact O-OG 3.28Å; C267-S286 PolarHBondContact N-OG 2.87Å; C267-S286 PolarHBondContact O-OG 2.7Å; A284-S286 PolarHBondContact O-N 3.22Å |
| 287 | S | 82.9 | Confident | 85.9 | Confident | 96 Ų | 96 | 62.6 Ų | 62.6 | 67% | 0.671 | 36% | 0.362 | S | S | * | . | P | Polyproline II helix | trans | -80.6 | 144.5 | 178.6 | 59.6 | 0 | 0 | 0 | 0 | 111.7 | Q289 | S287-Q289 WeakPolarHBondContact O-CG 3.37Å; S287-Q289 PolarHBondContact O-N 2.85Å |
| 288 | P | 86.8 | Confident | 86.3 | Confident | 73 Ų | 73 | 60.5 Ų | 60.5 | 47% | 0.474 | 35% | 0.346 | S | S | . | . | trans | -53.1 | 102.7 | -179.8 | -30.9 | 36.5 | 0 | 0 | 0 | 115.2 | K262 A266 | K262-P288 HydrophobicContact CG-CB 4.34Å; K262-P288 CarbonylContact O-C 3.56Å; K262-P288 VanDerWaalsContact O-CA 3.3Å; K262-P288 WeakPolarHBondContact O-CA 3.24Å; K262-P288 VanDerWaalsContact O-CB 3.31Å; K262-P288 WeakPolarHBondContact O-CB 3.26Å; A266-P288 HydrophobicContact CB-CG 4.08Å | ||
| 289 | Q | 86.7 | Confident | 86.6 | Confident | 30 Ų | 30 | 53.6 Ų | 53.6 | 14% | 0.14 | 31% | 0.313 | C | S | . | . | trans | -74.1 | 133.4 | -169.9 | -55.1 | -178 | 45.2 | 0 | 0 | 112.9 | S244 K262 L265 S287 L291 Y313 | S244-Q289 PolarHBondContact OG-O 3.42Å; K262-Q289 WeakPolarHBondContact CA-O 3.34Å; K262-Q289 WeakPolarHBondContact CG-O 3.24Å; K262-Q289 PolarHBondContact O-N 2.93Å; L265-Q289 HydrophobicContact CB-CB 3.91Å; L265-Q289 HydrophobicContact CB-CG 4.17Å; L265-Q289 HydrophobicContact CD1-CB 4.25Å; L265-Q289 PolarHBondContact O-NE2 3.43Å; S287-Q289 WeakPolarHBondContact O-CG 3.37Å; S287-Q289 PolarHBondContact O-N 2.85Å; Q289-L291 HydrophobicContact CB-CD1 4.23Å; Q289-L291 HydrophobicContact CB-CD2 4.19Å; Q289-L291 HydrophobicContact CB-CG 4Å; Q289-Y313 PolarHBondContact OE1-OH 2.87Å | ||
| 290 | S | 88.9 | Confident | 86.2 | Confident | 73 Ų | 73 | 53 Ų | 53 | 51% | 0.51 | 31% | 0.31 | S | S | . | . | trans | -115.5 | 69.1 | -171.9 | -161.2 | 0 | 0 | 0 | 0 | 111.7 | S244 K262 | S244-S290 WeakPolarHBondContact OG-CA 3.37Å; K262-S290 VanDerWaalsContact NZ-CB 3.26Å; K262-S290 PolarHBondContact NZ-OG 2.96Å | ||
| 291 | L | 90.6 | Very high | 85.8 | Confident | 31 Ų | 31 | 49.2 Ų | 49.2 | 16% | 0.162 | 29% | 0.29 | C | S | . | . | trans | -93.1 | 159.1 | -165.3 | -50.9 | 176.1 | 0 | 0 | 0 | 112.7 | S244 L265 Q289 F293 T308 Y313 | S244-L291 PolarHBondContact N-O 3.23Å; S244-L291 PolarHBondContact OG-N 2.88Å; L265-L291 HydrophobicContact CD1-CD1 3.91Å; Q289-L291 HydrophobicContact CB-CD1 4.23Å; Q289-L291 HydrophobicContact CB-CD2 4.19Å; Q289-L291 HydrophobicContact CB-CG 4Å; L291-F293 HydrophobicContact CB-CD1 4.34Å; L291-F293 HydrophobicContact CB-CE1 4Å; L291-F293 HydrophobicContact CD1-CE1 4.26Å; L291-T308 HydrophobicContact CD1-CG2 4.45Å; L291-T308 HydrophobicContact CD2-CG2 4.32Å; L291-Y313 HydrophobicContact CD1-CD1 4.26Å; L291-Y313 HydrophobicContact CD1-CD2 4.41Å; L291-Y313 HydrophobicContact CD1-CE1 3.6Å; L291-Y313 HydrophobicContact CD1-CE2 3.77Å; L291-Y313 WeakPolarHBondContact CD1-OH 3.48Å | ||
| 292 | G | 89.2 | Confident | 85.5 | Confident | 32 Ų | 32 | 51.5 Ų | 51.5 | 33% | 0.33 | 30% | 0.301 | S | S | . | . | trans | -92.5 | 152.2 | 153.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 293 | F | 93.8 | Very high | 85.7 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 0% | 0.004 | 28% | 0.28 | C | S | . | . | trans | -118 | 89.9 | 177.6 | -56.9 | -38.7 | 0 | 0 | 0 | 107.9 | Y218 G219 A240 I246 F261 L265 L291 K295 L296 T306 F315 | Y218-F293 CarbonylContact C-O 3.48Å; Y218-F293 WeakPolarHBondContact CA-O 3.28Å; G219-F293 PolarHBondContact N-O 3.43Å; A240-F293 HydrophobicContact CB-CB 3.82Å; A240-F293 HydrophobicContact CB-CD2 4.39Å; A240-F293 WeakPolarHBondContact CB-O 3.3Å; I246-F293 HydrophobicContact CD1-CD2 4.19Å; I246-F293 HydrophobicContact CD1-CE2 4.22Å; I246-F293 HydrophobicContact CG1-CD2 3.86Å; I246-F293 HydrophobicContact CG1-CE2 3.88Å; F261-F293 HydrophobicContact CB-CZ 4.45Å; F261-F293 HydrophobicContact CD2-CE2 4.23Å; F261-F293 HydrophobicContact CD2-CZ 4.48Å; L265-F293 HydrophobicContact CD1-CZ 4.49Å; L291-F293 HydrophobicContact CB-CD1 4.34Å; L291-F293 HydrophobicContact CB-CE1 4Å; L291-F293 HydrophobicContact CD1-CE1 4.26Å; F293-K295 PolarHBondContact O-N 3.16Å; F293-L296 HydrophobicContact CB-CD2 4.03Å; F293-T306 HydrophobicContact CB-CG2 4.12Å; F293-T306 HydrophobicContact CD1-CG2 3.56Å; F293-T306 HydrophobicContact CE1-CG2 4.11Å; F293-T306 HydrophobicContact CG-CG2 3.95Å; F293-F315 HydrophobicContact CE1-CE2 4.15Å; F293-F315 AromaticContact CE1-CZ 3.88Å; F293-F315 HydrophobicContact CE1-CZ 3.88Å; F293-F315 HydrophobicContact CE2-CE2 4.17Å; F293-F315 HydrophobicContact CE2-CZ 4.29Å; F293-F315 AromaticContact CZ-CE2 3.89Å; F293-F315 HydrophobicContact CZ-CE2 3.89Å; F293-F315 AromaticContact CZ-CZ 3.61Å; F293-F315 HydrophobicContact CZ-CZ 3.61Å | ||
| 294 | P | 91.9 | Very high | 86.3 | Confident | 31 Ų | 31 | 44 Ų | 44 | 20% | 0.201 | 26% | 0.257 | C | S | . | . | trans | -68.8 | -37.8 | -161.4 | 25.5 | -34.3 | 0 | 0 | 0 | 113.5 | V179 E217 Y218 G219 W307 | V179-P294 WeakPolarHBondContact CG1-O 3.29Å; E217-P294 HydrophobicContact CB-CB 4.28Å; Y218-P294 CarbonylContact C-O 3.43Å; Y218-P294 VanDerWaalsContact C-O 3.3Å; G219-P294 WeakPolarHBondContact CA-O 3.41Å; G219-P294 PolarHBondContact N-O 2.71Å; P294-W307 VanDerWaalsContact CD-O 3.22Å; P294-W307 WeakPolarHBondContact CD-O 3.47Å; P294-W307 WeakPolarHBondContact CG-O 3.29Å | ||
| 295 | K | 94.6 | Very high | 87 | Confident | 43 Ų | 43 | 41.3 Ų | 41.3 | 19% | 0.187 | 23% | 0.234 | C | C | . | . | trans | -126.3 | 151 | 166.7 | -65.4 | -177.9 | -173.3 | 175.3 | 0 | 108.8 | F293 T306 W307 D333 | F293-K295 PolarHBondContact O-N 3.16Å; K295-T306 WeakPolarHBondContact O-CB 3.38Å; K295-T306 PolarHBondContact O-OG1 2.92Å; K295-W307 HydrophobicContact CB-CH2 3.75Å; K295-W307 HydrophobicContact CB-CZ2 4.26Å; K295-W307 HydrophobicContact CB-CZ3 4.12Å; K295-W307 HydrophobicContact CD-CH2 3.67Å; K295-W307 HydrophobicContact CD-CZ2 3.84Å; K295-W307 HydrophobicContact CG-CH2 4.22Å; K295-W307 HydrophobicContact CG-CZ2 4.38Å; K295-D333 IonicContact NZ-OD1 3.47Å; K295-D333 PolarHBondContact NZ-OD1 2.93Å; K295-D333 IonicContact NZ-OD2 2.87Å; K295-D333 PolarHBondContact NZ-OD2 3Å | ||
| 296 | L | 94.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -118.1 | 121.8 | 168.7 | -67.2 | -177.5 | 0 | 0 | 0 | 108.1 | Q180 C221 A240 I246 F293 | Q180-L296 PolarHBondContact NE2-O 3.03Å; Q180-L296 PolarHBondContact OE1-O 3Å; C221-L296 HydrophobicContact CB-CB 4.48Å; C221-L296 WeakPolarHBondContact CB-O 3.26Å; A240-L296 HydrophobicContact CB-CD1 3.96Å; A240-L296 HydrophobicContact CB-CD2 4.4Å; A240-L296 HydrophobicContact CB-CG 4.11Å; I246-L296 HydrophobicContact CD1-CD1 4.32Å; I246-L296 HydrophobicContact CD1-CD2 4.02Å; I246-L296 HydrophobicContact CG2-CD1 4.19Å; F293-L296 HydrophobicContact CB-CD2 4.03Å | ||
| 297 | L | 93.6 | Very high | 89.2 | Confident | 31 Ų | 31 | 31.4 Ų | 31.4 | 16% | 0.162 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 140.8 | 177 | -60.3 | -178.8 | 0 | 0 | 0 | 110.2 | L304 L305 W307 I334 V336 | L297-L304 CarbonylContact O-C 3.54Å; L297-L304 WeakPolarHBondContact O-CA 3.17Å; L297-L305 HydrophobicContact CB-CD2 4.4Å; L297-L305 HydrophobicContact CD1-CD2 4.18Å; L297-L305 PolarHBondContact N-O 2.83Å; L297-L305 PolarHBondContact O-N 3.03Å; L297-W307 HydrophobicContact CD1-CH2 4Å; L297-W307 HydrophobicContact CD1-CZ3 3.67Å; L297-W307 HydrophobicContact CG-CH2 4.45Å; L297-W307 HydrophobicContact CG-CZ3 4.02Å; L297-I334 WeakPolarHBondContact CD1-O 3.47Å; L297-V336 HydrophobicContact CB-CG2 4.14Å; L297-V336 HydrophobicContact CD1-CG1 4.02Å; L297-V336 HydrophobicContact CD1-CG2 4.13Å |
| 298 | Y | 89.5 | Confident | 89.7 | Confident | 73 Ų | 73 | 28 Ų | 28 | 29% | 0.286 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 132.5 | 165.7 | 173.4 | -118.7 | 0 | 0 | 0 | 109.3 | L223 P224 G300 D301 V336 | L223-Y298 HydrophobicContact CD1-CD2 3.58Å; L223-Y298 HydrophobicContact CD1-CE2 3.66Å; P224-Y298 HydrophobicContact CG-CD1 3.77Å; P224-Y298 HydrophobicContact CG-CD2 4.34Å; P224-Y298 HydrophobicContact CG-CE1 3.36Å; P224-Y298 HydrophobicContact CG-CE2 3.96Å; P224-Y298 HydrophobicContact CG-CG 4.22Å; P224-Y298 VanDerWaalsContact CG-CZ 3.44Å; Y298-G300 WeakPolarHBondContact CE1-O 3.48Å; Y298-G300 WeakPolarHBondContact CE2-O 3.47Å; Y298-G300 PolarHBondContact OH-O 3.45Å; Y298-D301 VanDerWaalsContact OH-C 3.3Å; Y298-D301 VanDerWaalsContact OH-CA 3.29Å; Y298-D301 WeakPolarHBondContact OH-CA 3.38Å; Y298-D301 PolarHBondContact OH-O 3.29Å; Y298-D301 VanDerWaalsContact OH-O 3.14Å; Y298-V336 WeakPolarHBondContact O-CG2 3.44Å |
| 299 | F | 88.1 | Confident | 89.8 | Confident | 1 Ų | 1 | 30 Ų | 30 | 0% | 0.004 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 132.6 | -172.4 | -172.9 | -128.1 | 0 | 0 | 0 | 112.2 | N303 L305 I314 V336 R338 N339 L341 L355 | F299-N303 PolarHBondContact N-O 2.93Å; F299-N303 WeakPolarHBondContact O-CA 3.32Å; F299-N303 VanDerWaalsContact O-CB 3.31Å; F299-N303 WeakPolarHBondContact O-CB 3.29Å; F299-N303 PolarHBondContact O-N 2.97Å; F299-N303 VanDerWaalsContact O-N 3.14Å; F299-L305 HydrophobicContact CB-CB 3.8Å; F299-L305 HydrophobicContact CD1-CB 4.22Å; F299-L305 HydrophobicContact CD1-CD1 3.83Å; F299-L305 HydrophobicContact CE1-CD1 4.06Å; F299-L305 HydrophobicContact CG-CB 4.16Å; F299-L305 HydrophobicContact CG-CD1 4.08Å; F299-I314 HydrophobicContact CD1-CD1 4.04Å; F299-I314 HydrophobicContact CD1-CG2 4.46Å; F299-I314 HydrophobicContact CE1-CD1 3.78Å; F299-V336 HydrophobicContact CD2-CB 3.9Å; F299-V336 HydrophobicContact CD2-CG1 3.84Å; F299-V336 HydrophobicContact CE2-CB 4.36Å; F299-V336 HydrophobicContact CE2-CG1 4.23Å; F299-R338 WeakPolarHBondContact CD2-O 3.4Å; F299-R338 VanDerWaalsContact CE2-O 3.31Å; F299-R338 WeakPolarHBondContact CE2-O 3.19Å; F299-N339 WeakPolarHBondContact CZ-O 3.38Å; F299-L341 HydrophobicContact CE1-CD2 3.94Å; F299-L341 HydrophobicContact CE2-CB 4.05Å; F299-L341 HydrophobicContact CE2-CD2 4.29Å; F299-L341 HydrophobicContact CZ-CB 4.19Å; F299-L341 HydrophobicContact CZ-CD2 3.58Å; F299-L341 HydrophobicContact CZ-CG 4.43Å; F299-L355 HydrophobicContact CD1-CD2 4.08Å; F299-L355 HydrophobicContact CE1-CB 3.6Å; F299-L355 HydrophobicContact CE1-CD2 3.62Å; F299-L355 HydrophobicContact CE1-CG 4.16Å; F299-L355 HydrophobicContact CZ-CB 3.7Å; F299-L355 HydrophobicContact CZ-CD2 4.41Å |
| 300 | G | 78.4 | Confident | 90 | Very high | 4 Ų | 4 | 31.2 Ų | 31.2 | 4% | 0.041 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | -147 | -161.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y298 R338 N339 | Y298-G300 WeakPolarHBondContact CE1-O 3.48Å; Y298-G300 WeakPolarHBondContact CE2-O 3.47Å; Y298-G300 PolarHBondContact OH-O 3.45Å; G300-R338 PolarHBondContact N-O 2.95Å; G300-N339 WeakPolarHBondContact CA-OD1 3.46Å |
| 301 | D | 72.4 | Confident | 90.2 | Very high | 55 Ų | 55 | 27.8 Ų | 27.8 | 29% | 0.294 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -11.7 | -170.4 | -43.2 | -49.5 | 0 | 0 | 0 | 113.4 | Y298 | Y298-D301 VanDerWaalsContact OH-C 3.3Å; Y298-D301 VanDerWaalsContact OH-CA 3.29Å; Y298-D301 WeakPolarHBondContact OH-CA 3.38Å; Y298-D301 PolarHBondContact OH-O 3.29Å; Y298-D301 VanDerWaalsContact OH-O 3.14Å |
| 302 | Q | 81.6 | Confident | 90.5 | Very high | 55 Ų | 55 | 26.3 Ų | 26.3 | 26% | 0.257 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -148.9 | -0.5 | -169.8 | -62.8 | -173.1 | -0.2 | 0 | 0 | 115 | P317 | Q302-P317 WeakPolarHBondContact O-CD 3.29Š|
| 303 | N | 89.9 | Confident | 90.8 | Very high | 20 Ų | 20 | 25 Ų | 25 | 11% | 0.107 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 160.1 | -170.7 | -55.9 | -65 | 0 | 0 | 0 | 113.8 | F299 I314 F315 T316 | F299-N303 PolarHBondContact N-O 2.93Å; F299-N303 WeakPolarHBondContact O-CA 3.32Å; F299-N303 VanDerWaalsContact O-CB 3.31Å; F299-N303 WeakPolarHBondContact O-CB 3.29Å; F299-N303 PolarHBondContact O-N 2.97Å; F299-N303 VanDerWaalsContact O-N 3.14Å; N303-I314 HydrophobicContact CB-CG2 3.82Å; N303-F315 CarbonylContact C-O 3.51Å; N303-F315 WeakPolarHBondContact CA-O 3.39Å; N303-F315 WeakPolarHBondContact CB-O 3.49Å; N303-T316 PolarHBondContact OD1-OG1 2.65Å |
| 304 | L | 92.8 | Very high | 90.8 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 130 | 170.8 | -62.3 | 176 | 0 | 0 | 0 | 109.7 | L223 Y238 I246 L297 I314 F315 P317 | L223-L304 HydrophobicContact CD1-CD2 4.41Å; Y238-L304 HydrophobicContact CD1-CD1 3.92Å; Y238-L304 HydrophobicContact CD2-CD1 4.2Å; Y238-L304 HydrophobicContact CG-CD1 3.71Å; I246-L304 HydrophobicContact CD1-CD1 4.33Å; L297-L304 CarbonylContact O-C 3.54Å; L297-L304 WeakPolarHBondContact O-CA 3.17Å; L304-I314 WeakPolarHBondContact O-CA 3.35Å; L304-F315 PolarHBondContact N-O 2.9Å; L304-F315 PolarHBondContact O-N 2.67Å; L304-P317 HydrophobicContact CD1-CB 3.96Å; L304-P317 HydrophobicContact CD1-CG 3.92Å; L304-P317 HydrophobicContact CG-CB 4.49Å; L304-P317 HydrophobicContact CG-CG 3.92Å |
| 305 | L | 95.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 140 | 176.5 | 178.2 | 147.8 | 0 | 0 | 0 | 110.9 | L297 F299 W307 V312 I314 I334 V336 L341 | L297-L305 HydrophobicContact CB-CD2 4.4Å; L297-L305 HydrophobicContact CD1-CD2 4.18Å; L297-L305 PolarHBondContact N-O 2.83Å; L297-L305 PolarHBondContact O-N 3.03Å; F299-L305 HydrophobicContact CB-CB 3.8Å; F299-L305 HydrophobicContact CD1-CB 4.22Å; F299-L305 HydrophobicContact CD1-CD1 3.83Å; F299-L305 HydrophobicContact CE1-CD1 4.06Å; F299-L305 HydrophobicContact CG-CB 4.16Å; F299-L305 HydrophobicContact CG-CD1 4.08Å; L305-W307 HydrophobicContact CD2-CE3 3.77Å; L305-W307 HydrophobicContact CD2-CZ3 3.9Å; L305-V312 HydrophobicContact CD1-CG1 3.99Å; L305-V312 HydrophobicContact CG-CG1 4.17Å; L305-I314 HydrophobicContact CD1-CG1 4.4Å; L305-I334 HydrophobicContact CD2-CD1 4.23Å; L305-I334 HydrophobicContact CD2-CG2 4.16Å; L305-V336 HydrophobicContact CD1-CG1 4.32Å; L305-V336 HydrophobicContact CD2-CG1 4.42Å; L305-L341 HydrophobicContact CD1-CB 4.48Å; L305-L341 HydrophobicContact CD1-CD2 3.85Å |
| 306 | T | 95.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 169.9 | 170 | -163 | 0 | 0 | 0 | 0 | 110 | F293 K295 Y313 F315 | F293-T306 HydrophobicContact CB-CG2 4.12Å; F293-T306 HydrophobicContact CD1-CG2 3.56Å; F293-T306 HydrophobicContact CE1-CG2 4.11Å; F293-T306 HydrophobicContact CG-CG2 3.95Å; K295-T306 WeakPolarHBondContact O-CB 3.38Å; K295-T306 PolarHBondContact O-OG1 2.92Å; T306-Y313 PolarHBondContact N-O 3.1Å; T306-Y313 PolarHBondContact O-N 3.21Å; T306-Y313 VanDerWaalsContact O-O 3.13Å; T306-F315 HydrophobicContact CG2-CE2 3.67Å; T306-F315 HydrophobicContact CG2-CZ 4.33Å |
| 307 | W | 95.4 | Very high | 89.8 | Confident | 10 Ų | 10 | 22.5 Ų | 22.5 | 4% | 0.038 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 162.3 | -177.4 | 62.9 | 98.7 | 0 | 0 | 0 | 112.4 | P294 K295 L297 L305 A311 V312 V331 D333 I334 | P294-W307 VanDerWaalsContact CD-O 3.22Å; P294-W307 WeakPolarHBondContact CD-O 3.47Å; P294-W307 WeakPolarHBondContact CG-O 3.29Å; K295-W307 HydrophobicContact CB-CH2 3.75Å; K295-W307 HydrophobicContact CB-CZ2 4.26Å; K295-W307 HydrophobicContact CB-CZ3 4.12Å; K295-W307 HydrophobicContact CD-CH2 3.67Å; K295-W307 HydrophobicContact CD-CZ2 3.84Å; K295-W307 HydrophobicContact CG-CH2 4.22Å; K295-W307 HydrophobicContact CG-CZ2 4.38Å; L297-W307 HydrophobicContact CD1-CH2 4Å; L297-W307 HydrophobicContact CD1-CZ3 3.67Å; L297-W307 HydrophobicContact CG-CH2 4.45Å; L297-W307 HydrophobicContact CG-CZ3 4.02Å; L305-W307 HydrophobicContact CD2-CE3 3.77Å; L305-W307 HydrophobicContact CD2-CZ3 3.9Å; W307-A311 CarbonylContact C-O 3.59Å; W307-A311 VanDerWaalsContact CA-O 3.29Å; W307-A311 WeakPolarHBondContact CA-O 3.24Å; W307-A311 WeakPolarHBondContact CB-O 3.26Å; W307-V312 HydrophobicContact CB-CG2 4.39Å; W307-V331 HydrophobicContact CB-CG1 4.42Å; W307-V331 VanDerWaalsContact CD1-CG1 3.49Å; W307-V331 HydrophobicContact CG-CG1 4.01Å; W307-D333 VanDerWaalsContact CZ2-OD1 3.24Å; W307-D333 WeakPolarHBondContact CZ2-OD1 3.47Å; W307-I334 HydrophobicContact CB-CD1 3.79Å; W307-I334 HydrophobicContact CD2-CB 4.24Å; W307-I334 HydrophobicContact CD2-CD1 3.66Å; W307-I334 HydrophobicContact CD2-CG1 3.75Å; W307-I334 HydrophobicContact CE3-CB 3.95Å; W307-I334 HydrophobicContact CE3-CD1 3.68Å; W307-I334 HydrophobicContact CE3-CG1 3.89Å; W307-I334 HydrophobicContact CG-CD1 3.74Å; W307-I334 HydrophobicContact CG-CG1 4.12Å; W307-I334 HydrophobicContact CH2-CB 3.9Å; W307-I334 HydrophobicContact CH2-CG1 4.42Å; W307-I334 HydrophobicContact CZ2-CB 4.24Å; W307-I334 HydrophobicContact CZ2-CG1 4.35Å; W307-I334 HydrophobicContact CZ3-CB 3.78Å; W307-I334 HydrophobicContact CZ3-CD1 4.4Å; W307-I334 HydrophobicContact CZ3-CG1 4.23Å |
| 308 | T | 93.3 | Very high | 89 | Confident | 25 Ų | 25 | 26.1 Ų | 26.1 | 15% | 0.153 | 14% | 0.135 | C | C | . | . | trans | -112 | -173.1 | 162.4 | 59 | 0 | 0 | 0 | 0 | 109.2 | L291 S310 A311 Y313 | L291-T308 HydrophobicContact CD1-CG2 4.45Å; L291-T308 HydrophobicContact CD2-CG2 4.32Å; T308-S310 PolarHBondContact O-N 2.84Å; T308-S310 PolarHBondContact OG1-N 2.87Å; T308-S310 PolarHBondContact OG1-OG 2.87Å; T308-A311 PolarHBondContact N-O 2.94Å; T308-A311 PolarHBondContact OG1-N 2.86Å; T308-A311 PolarHBondContact OG1-O 3.44Å; T308-Y313 HydrophobicContact CG2-CE2 3.87Å | ||
| 309 | D | 90.5 | Very high | 88.4 | Confident | 115 Ų | 115 | 26.5 Ų | 26.5 | 62% | 0.615 | 14% | 0.142 | S | C | * | . | S | Bend | trans | -61.9 | -10.5 | 167.1 | 61.4 | -11.1 | 0 | 0 | 0 | 114.6 | D330 V331 | D309-D330 WeakPolarHBondContact O-CA 3.25Å; D309-D330 PolarHBondContact O-N 3.1Å; D309-V331 PolarHBondContact O-N 3.1Å |
| 310 | S | 90.6 | Very high | 88 | Confident | 55 Ų | 55 | 27.2 Ų | 27.2 | 39% | 0.385 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -136.4 | -18 | -160.6 | 41.5 | 0 | 0 | 0 | 0 | 114.8 | T308 V328 | T308-S310 PolarHBondContact O-N 2.84Å; T308-S310 PolarHBondContact OG1-N 2.87Å; T308-S310 PolarHBondContact OG1-OG 2.87Å; S310-V328 CarbonylContact C-O 3.57Å; S310-V328 WeakPolarHBondContact CA-O 3.27Å; S310-V328 CarbonylContact O-C 3.57Å; S310-V328 PolarHBondContact O-N 3.44Å; S310-V328 VanDerWaalsContact O-O 3.06Å |
| 311 | A | 93.6 | Very high | 88.4 | Confident | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.008 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 155.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | W307 T308 Y313 W325 T326 V328 | W307-A311 CarbonylContact C-O 3.59Å; W307-A311 VanDerWaalsContact CA-O 3.29Å; W307-A311 WeakPolarHBondContact CA-O 3.24Å; W307-A311 WeakPolarHBondContact CB-O 3.26Å; T308-A311 PolarHBondContact N-O 2.94Å; T308-A311 PolarHBondContact OG1-N 2.86Å; T308-A311 PolarHBondContact OG1-O 3.44Å; A311-Y313 HydrophobicContact CB-CD2 4.4Å; A311-Y313 HydrophobicContact CB-CE1 4.5Å; A311-Y313 HydrophobicContact CB-CE2 3.6Å; A311-W325 HydrophobicContact CB-CE3 3.9Å; A311-W325 HydrophobicContact CB-CZ3 4.17Å; A311-T326 CarbonylContact C-O 3.57Å; A311-T326 VanDerWaalsContact CA-O 3.27Å; A311-T326 WeakPolarHBondContact CA-O 3.38Å; A311-T326 WeakPolarHBondContact CB-O 3.41Å; A311-V328 PolarHBondContact N-O 2.91Å |
| 312 | V | 95.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 136.3 | 170 | -177.8 | 0 | 0 | 0 | 0 | 108.9 | L15 L305 W307 W325 T326 V328 I334 | L15-V312 HydrophobicContact CD1-CG1 4.44Å; L305-V312 HydrophobicContact CD1-CG1 3.99Å; L305-V312 HydrophobicContact CG-CG1 4.17Å; W307-V312 HydrophobicContact CB-CG2 4.39Å; V312-W325 CarbonylContact O-C 3.6Å; V312-W325 VanDerWaalsContact O-CA 3.24Å; V312-W325 WeakPolarHBondContact O-CA 3.47Å; V312-W325 WeakPolarHBondContact O-CB 3.43Å; V312-T326 PolarHBondContact N-O 3.22Å; V312-T326 PolarHBondContact O-N 2.94Å; V312-V328 HydrophobicContact CG2-CB 4.13Å; V312-V328 HydrophobicContact CG2-CG2 3.93Å; V312-I334 HydrophobicContact CG1-CD1 4.37Å; V312-I334 HydrophobicContact CG2-CD1 3.81Å |
| 313 | Y | 94.9 | Very high | 89.7 | Confident | 5 Ų | 5 | 28 Ų | 28 | 2% | 0.02 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 134.2 | -175.7 | -57.9 | -95 | 0 | 0 | 0 | 110 | L265 Q289 L291 T306 T308 A311 W325 | L265-Y313 HydrophobicContact CD2-CD1 3.53Å; L265-Y313 HydrophobicContact CD2-CE1 3.84Å; Q289-Y313 PolarHBondContact OE1-OH 2.87Å; L291-Y313 HydrophobicContact CD1-CD1 4.26Å; L291-Y313 HydrophobicContact CD1-CD2 4.41Å; L291-Y313 HydrophobicContact CD1-CE1 3.6Å; L291-Y313 HydrophobicContact CD1-CE2 3.77Å; L291-Y313 WeakPolarHBondContact CD1-OH 3.48Å; T306-Y313 PolarHBondContact N-O 3.1Å; T306-Y313 PolarHBondContact O-N 3.21Å; T306-Y313 VanDerWaalsContact O-O 3.13Å; T308-Y313 HydrophobicContact CG2-CE2 3.87Å; A311-Y313 HydrophobicContact CB-CD2 4.4Å; A311-Y313 HydrophobicContact CB-CE1 4.5Å; A311-Y313 HydrophobicContact CB-CE2 3.6Å; Y313-W325 HydrophobicContact CD1-CB 3.35Å; Y313-W325 HydrophobicContact CD1-CD2 4.34Å; Y313-W325 HydrophobicContact CD1-CE3 4.46Å; Y313-W325 AromaticContact CD1-CG 3.91Å; Y313-W325 HydrophobicContact CD1-CG 3.91Å; Y313-W325 HydrophobicContact CE1-CB 3.83Å; Y313-W325 AromaticContact CE1-CD2 3.87Å; Y313-W325 HydrophobicContact CE1-CD2 3.87Å; Y313-W325 AromaticContact CE1-CE3 3.73Å; Y313-W325 HydrophobicContact CE1-CE3 3.73Å; Y313-W325 AromaticContact CE1-CG 3.94Å; Y313-W325 HydrophobicContact CE1-CG 3.94Å; Y313-W325 HydrophobicContact CG-CB 4.06Å |
| 314 | I | 94.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 127.9 | 179.9 | -51.6 | 179.8 | 0 | 0 | 0 | 109.6 | L15 F299 N303 L304 L305 L323 L324 L355 | L15-I314 HydrophobicContact CD1-CD1 4.49Å; L15-I314 HydrophobicContact CD2-CD1 4.14Å; F299-I314 HydrophobicContact CD1-CD1 4.04Å; F299-I314 HydrophobicContact CD1-CG2 4.46Å; F299-I314 HydrophobicContact CE1-CD1 3.78Å; N303-I314 HydrophobicContact CB-CG2 3.82Å; L304-I314 WeakPolarHBondContact O-CA 3.35Å; L305-I314 HydrophobicContact CD1-CG1 4.4Å; I314-L323 HydrophobicContact CB-CB 4.41Å; I314-L323 HydrophobicContact CG2-CB 4.18Å; I314-L323 HydrophobicContact CG2-CD2 3.93Å; I314-L323 PolarHBondContact O-N 2.89Å; I314-L324 HydrophobicContact CB-CD1 4.35Å; I314-L324 HydrophobicContact CB-CG 4.37Å; I314-L324 HydrophobicContact CD1-CD1 3.76Å; I314-L324 HydrophobicContact CD1-CG 4.14Å; I314-L324 HydrophobicContact CG1-CD1 3.97Å; I314-L324 HydrophobicContact CG1-CG 4.45Å; I314-L324 PolarHBondContact N-O 2.79Å; I314-L324 PolarHBondContact O-N 2.98Å; I314-L355 HydrophobicContact CD1-CD1 4.03Å; I314-L355 HydrophobicContact CD1-CD2 4.44Å |
| 315 | F | 92.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 144.4 | -178.7 | -49.2 | -64 | 0 | 0 | 0 | 111 | I246 F261 L265 F293 N303 L304 T306 P317 Q321 V322 | I246-F315 HydrophobicContact CD1-CD2 4.01Å; I246-F315 HydrophobicContact CD1-CE2 4.3Å; F261-F315 HydrophobicContact CB-CE1 4.08Å; F261-F315 HydrophobicContact CB-CZ 4.49Å; F261-F315 AromaticContact CD1-CD1 3.52Å; F261-F315 HydrophobicContact CD1-CD1 3.52Å; F261-F315 AromaticContact CD1-CE1 3.78Å; F261-F315 HydrophobicContact CD1-CE1 3.78Å; F261-F315 HydrophobicContact CD1-CG 4.24Å; F261-F315 HydrophobicContact CD2-CD1 4.35Å; F261-F315 HydrophobicContact CD2-CE1 4.31Å; F261-F315 HydrophobicContact CD2-CZ 4.46Å; F261-F315 HydrophobicContact CE1-CB 4.02Å; F261-F315 AromaticContact CE1-CD1 3.6Å; F261-F315 HydrophobicContact CE1-CD1 3.6Å; F261-F315 HydrophobicContact CE1-CE1 4.31Å; F261-F315 AromaticContact CE1-CG 3.94Å; F261-F315 HydrophobicContact CE1-CG 3.94Å; F261-F315 HydrophobicContact CE2-CD1 4.41Å; F261-F315 HydrophobicContact CE2-CD2 4.49Å; F261-F315 HydrophobicContact CE2-CG 4.27Å; F261-F315 AromaticContact CG-CD1 3.92Å; F261-F315 HydrophobicContact CG-CD1 3.92Å; F261-F315 AromaticContact CG-CE1 3.78Å; F261-F315 HydrophobicContact CG-CE1 3.78Å; F261-F315 HydrophobicContact CG-CZ 4.28Å; F261-F315 HydrophobicContact CZ-CB 3.94Å; F261-F315 HydrophobicContact CZ-CD1 4.06Å; F261-F315 AromaticContact CZ-CG 3.95Å; F261-F315 HydrophobicContact CZ-CG 3.95Å; L265-F315 HydrophobicContact CD2-CE1 4.11Å; F293-F315 HydrophobicContact CE1-CE2 4.15Å; F293-F315 AromaticContact CE1-CZ 3.88Å; F293-F315 HydrophobicContact CE1-CZ 3.88Å; F293-F315 HydrophobicContact CE2-CE2 4.17Å; F293-F315 HydrophobicContact CE2-CZ 4.29Å; F293-F315 AromaticContact CZ-CE2 3.89Å; F293-F315 HydrophobicContact CZ-CE2 3.89Å; F293-F315 AromaticContact CZ-CZ 3.61Å; F293-F315 HydrophobicContact CZ-CZ 3.61Å; N303-F315 CarbonylContact C-O 3.51Å; N303-F315 WeakPolarHBondContact CA-O 3.39Å; N303-F315 WeakPolarHBondContact CB-O 3.49Å; L304-F315 PolarHBondContact N-O 2.9Å; L304-F315 PolarHBondContact O-N 2.67Å; T306-F315 HydrophobicContact CG2-CE2 3.67Å; T306-F315 HydrophobicContact CG2-CZ 4.33Å; F315-P317 VanDerWaalsContact O-CD 3.26Å; F315-P317 WeakPolarHBondContact O-CD 3.4Å; F315-Q321 WeakPolarHBondContact CA-O 3.37Å; F315-V322 HydrophobicContact CD1-CB 4.37Å; F315-V322 HydrophobicContact CD1-CG1 4.39Å; F315-V322 HydrophobicContact CD1-CG2 3.95Å; F315-V322 HydrophobicContact CE1-CG1 4.42Å; F315-V322 HydrophobicContact CE1-CG2 3.97Å |
| 316 | T | 89.1 | Confident | 89.8 | Confident | 18 Ų | 18 | 27.9 Ų | 27.9 | 11% | 0.11 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 92.1 | 170.4 | -52.2 | 0 | 0 | 0 | 0 | 107.9 | N303 Q318 N319 G320 Q321 | N303-T316 PolarHBondContact OD1-OG1 2.65Å; T316-Q318 VanDerWaalsContact C-N 3.29Å; T316-Q318 PolarHBondContact O-N 2.84Å; T316-N319 PolarHBondContact O-N 2.68Å; T316-G320 PolarHBondContact O-N 2.73Å; T316-Q321 PolarHBondContact N-O 2.99Å; T316-Q321 PolarHBondContact O-N 3.41Å |
| 317 | P | 79.2 | Confident | 89.6 | Confident | 3 Ų | 3 | 33.1 Ų | 33.1 | 2% | 0.019 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -61.7 | -31.9 | -169.4 | 24.7 | -37.4 | 0 | 0 | 0 | 114 | Y238 H259 Q302 L304 F315 N319 G320 | Y238-P317 HydrophobicContact CD1-CB 4.24Å; Y238-P317 HydrophobicContact CE1-CB 3.56Å; Y238-P317 HydrophobicContact CE1-CG 4.43Å; Y238-P317 HydrophobicContact CE2-CB 4.42Å; Y238-P317 HydrophobicContact CE2-CG 4.48Å; H259-P317 PolarHBondContact CE1-O 3.48Å; Q302-P317 WeakPolarHBondContact O-CD 3.29Å; L304-P317 HydrophobicContact CD1-CB 3.96Å; L304-P317 HydrophobicContact CD1-CG 3.92Å; L304-P317 HydrophobicContact CG-CB 4.49Å; L304-P317 HydrophobicContact CG-CG 3.92Å; F315-P317 VanDerWaalsContact O-CD 3.26Å; F315-P317 WeakPolarHBondContact O-CD 3.4Å; P317-N319 PolarHBondContact O-N 3.19Å; P317-G320 PolarHBondContact O-N 3.43Å |
| 318 | Q | 76.9 | Confident | 89.4 | Confident | 107 Ų | 107 | 33.1 Ų | 33.1 | 50% | 0.5 | 18% | 0.177 | S | C | . | . | G | 310 helix | trans | -57.3 | -35.5 | 179.7 | -59.8 | -173.6 | 14.8 | 0 | 0 | 112.4 | T316 | T316-Q318 VanDerWaalsContact C-N 3.29Å; T316-Q318 PolarHBondContact O-N 2.84Å |
| 319 | N | 76 | Confident | 89.3 | Confident | 81 Ų | 81 | 39.3 Ų | 39.3 | 43% | 0.433 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -101.2 | -3 | 178.3 | -67.6 | 1.7 | 0 | 0 | 0 | 113.1 | T316 P317 Q321 | T316-N319 PolarHBondContact O-N 2.68Å; P317-N319 PolarHBondContact O-N 3.19Å; N319-Q321 HydrophobicContact CB-CB 4.28Å; N319-Q321 HydrophobicContact CB-CG 4.02Å; N319-Q321 PolarHBondContact ND2-OE1 3.04Å; N319-Q321 PolarHBondContact O-N 3.36Å |
| 320 | G | 80 | Confident | 89.3 | Confident | 17 Ų | 17 | 37.2 Ų | 37.2 | 18% | 0.175 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 21.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | H259 F261 L264 T316 P317 | H259-G320 WeakPolarHBondContact ND1-CA 3.38Å; F261-G320 WeakPolarHBondContact CE1-O 3.46Å; L264-G320 VanDerWaalsContact CD1-O 3.22Å; L264-G320 WeakPolarHBondContact CD1-O 3.47Å; T316-G320 PolarHBondContact O-N 2.73Å; P317-G320 PolarHBondContact O-N 3.43Å |
| 321 | Q | 86.6 | Confident | 89.5 | Confident | 89 Ų | 89 | 35.1 Ų | 35.1 | 42% | 0.416 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 155.7 | -171.2 | -76.7 | 170.7 | -14.9 | 0 | 0 | 113.1 | F315 T316 N319 | F315-Q321 WeakPolarHBondContact CA-O 3.37Å; T316-Q321 PolarHBondContact N-O 2.99Å; T316-Q321 PolarHBondContact O-N 3.41Å; N319-Q321 HydrophobicContact CB-CB 4.28Å; N319-Q321 HydrophobicContact CB-CG 4.02Å; N319-Q321 PolarHBondContact ND2-OE1 3.04Å; N319-Q321 PolarHBondContact O-N 3.36Å |
| 322 | V | 90.3 | Very high | 89.4 | Confident | 22 Ų | 22 | 37.8 Ų | 37.8 | 13% | 0.133 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 121.4 | 164.3 | -176.1 | 0 | 0 | 0 | 0 | 107 | F261 L264 L265 F315 | F261-V322 HydrophobicContact CD1-CG2 3.88Å; L264-V322 HydrophobicContact CB-CG2 3.63Å; L265-V322 HydrophobicContact CD2-CG1 4.39Å; L265-V322 HydrophobicContact CD2-CG2 4.21Å; F315-V322 HydrophobicContact CD1-CB 4.37Å; F315-V322 HydrophobicContact CD1-CG1 4.39Å; F315-V322 HydrophobicContact CD1-CG2 3.95Å; F315-V322 HydrophobicContact CE1-CG1 4.42Å; F315-V322 HydrophobicContact CE1-CG2 3.97Å |
| 323 | L | 90.8 | Very high | 89.2 | Confident | 19 Ų | 19 | 38.8 Ų | 38.8 | 10% | 0.099 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | -48 | 176.1 | -178.7 | 65.9 | 0 | 0 | 0 | 110.2 | H13 I314 L355 | H13-L323 HydrophobicContact CB-CD1 4.34Å; H13-L323 HydrophobicContact CB-CD2 4.35Å; H13-L323 HydrophobicContact CB-CG 4.35Å; I314-L323 HydrophobicContact CB-CB 4.41Å; I314-L323 HydrophobicContact CG2-CB 4.18Å; I314-L323 HydrophobicContact CG2-CD2 3.93Å; I314-L323 PolarHBondContact O-N 2.89Å; L323-L355 HydrophobicContact CD2-CD1 4.39Å; L323-L355 HydrophobicContact CD2-CD2 4.13Å |
| 324 | L | 92.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.3 | 167.3 | 171.1 | 61.7 | 81.7 | 0 | 0 | 0 | 110.9 | H13 L15 L270 I314 L355 | H13-L324 HydrophobicContact CB-CD2 4.47Å; L15-L324 HydrophobicContact CD1-CD1 4.1Å; L15-L324 HydrophobicContact CG-CD1 4.11Å; L15-L324 HydrophobicContact CG-CD2 4.38Å; L270-L324 HydrophobicContact CD1-CB 3.58Å; L270-L324 HydrophobicContact CD1-CD2 4.42Å; L270-L324 HydrophobicContact CG-CB 4.2Å; I314-L324 HydrophobicContact CB-CD1 4.35Å; I314-L324 HydrophobicContact CB-CG 4.37Å; I314-L324 HydrophobicContact CD1-CD1 3.76Å; I314-L324 HydrophobicContact CD1-CG 4.14Å; I314-L324 HydrophobicContact CG1-CD1 3.97Å; I314-L324 HydrophobicContact CG1-CG 4.45Å; I314-L324 PolarHBondContact N-O 2.79Å; I314-L324 PolarHBondContact O-N 2.98Å; L324-L355 HydrophobicContact CD2-CD1 3.77Å |
| 325 | W | 93.7 | Very high | 89.2 | Confident | 18 Ų | 18 | 39.6 Ų | 39.6 | 7% | 0.068 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 151 | 155.5 | 71.2 | -75.6 | 0 | 0 | 0 | 109.7 | C267 P268 P269 L270 A311 V312 Y313 E327 | C267-W325 WeakPolarHBondContact O-CZ2 3.38Å; C267-W325 PolarHBondContact O-NE1 2.91Å; C267-W325 VanDerWaalsContact SG-CD1 3.6Å; C267-W325 PolarHBondContact SG-NE1 2.87Å; C267-W325 VanDerWaalsContact SG-NE1 3.43Å; P268-W325 PolarHBondContact O-NE1 3.38Å; P269-W325 WeakPolarHBondContact CA-O 3.46Å; P269-W325 HydrophobicContact CB-CD2 4.08Å; P269-W325 HydrophobicContact CB-CE3 4.01Å; P269-W325 HydrophobicContact CB-CH2 3.71Å; P269-W325 HydrophobicContact CB-CZ2 3.77Å; P269-W325 HydrophobicContact CB-CZ3 3.83Å; P269-W325 VanDerWaalsContact CD-CZ2 3.47Å; P269-W325 HydrophobicContact CG-CH2 3.89Å; P269-W325 HydrophobicContact CG-CZ2 4.05Å; P269-W325 HydrophobicContact CG-CZ3 4.39Å; L270-W325 PolarHBondContact N-O 2.92Å; A311-W325 HydrophobicContact CB-CE3 3.9Å; A311-W325 HydrophobicContact CB-CZ3 4.17Å; V312-W325 CarbonylContact O-C 3.6Å; V312-W325 VanDerWaalsContact O-CA 3.24Å; V312-W325 WeakPolarHBondContact O-CA 3.47Å; V312-W325 WeakPolarHBondContact O-CB 3.43Å; Y313-W325 HydrophobicContact CD1-CB 3.35Å; Y313-W325 HydrophobicContact CD1-CD2 4.34Å; Y313-W325 HydrophobicContact CD1-CE3 4.46Å; Y313-W325 AromaticContact CD1-CG 3.91Å; Y313-W325 HydrophobicContact CD1-CG 3.91Å; Y313-W325 HydrophobicContact CE1-CB 3.83Å; Y313-W325 AromaticContact CE1-CD2 3.87Å; Y313-W325 HydrophobicContact CE1-CD2 3.87Å; Y313-W325 AromaticContact CE1-CE3 3.73Å; Y313-W325 HydrophobicContact CE1-CE3 3.73Å; Y313-W325 AromaticContact CE1-CG 3.94Å; Y313-W325 HydrophobicContact CE1-CG 3.94Å; Y313-W325 HydrophobicContact CG-CB 4.06Å; W325-E327 HydrophobicContact CZ3-CG 4.18Å |
| 326 | T | 93.4 | Very high | 89.3 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.006 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 134.4 | -172.1 | -67.7 | 0 | 0 | 0 | 0 | 109.7 | L270 L272 A311 V312 V328 | L270-T326 WeakPolarHBondContact O-CA 3.37Å; L270-T326 WeakPolarHBondContact O-CB 3.37Å; L270-T326 WeakPolarHBondContact O-CG2 3.38Å; L270-T326 PolarHBondContact O-OG1 3.31Å; L272-T326 HydrophobicContact CB-CG2 3.75Å; L272-T326 HydrophobicContact CD1-CG2 4.18Å; A311-T326 CarbonylContact C-O 3.57Å; A311-T326 VanDerWaalsContact CA-O 3.27Å; A311-T326 WeakPolarHBondContact CA-O 3.38Å; A311-T326 WeakPolarHBondContact CB-O 3.41Å; V312-T326 PolarHBondContact N-O 3.22Å; V312-T326 PolarHBondContact O-N 2.94Å; T326-V328 HydrophobicContact CG2-CG2 4.16Å; T326-V328 PolarHBondContact O-N 3.39Å |
| 327 | E | 92.1 | Very high | 89.3 | Confident | 110 Ų | 110 | 42.5 Ų | 42.5 | 51% | 0.514 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 121.2 | 175 | -67.6 | -171.2 | -170.4 | 0 | 0 | 110.8 | P269 W325 | P269-E327 HydrophobicContact CB-CG 4.21Å; P269-E327 HydrophobicContact CG-CG 4.28Å; W325-E327 HydrophobicContact CZ3-CG 4.18Å |
| 328 | V | 91.3 | Very high | 89.7 | Confident | 9 Ų | 9 | 49.4 Ų | 49.4 | 6% | 0.055 | 25% | 0.249 | C | C | . | . | trans | -140 | 109.5 | 177 | -174.2 | 0 | 0 | 0 | 0 | 106.4 | S310 A311 V312 T326 V331 | S310-V328 CarbonylContact C-O 3.57Å; S310-V328 WeakPolarHBondContact CA-O 3.27Å; S310-V328 CarbonylContact O-C 3.57Å; S310-V328 PolarHBondContact O-N 3.44Å; S310-V328 VanDerWaalsContact O-O 3.06Å; A311-V328 PolarHBondContact N-O 2.91Å; V312-V328 HydrophobicContact CG2-CB 4.13Å; V312-V328 HydrophobicContact CG2-CG2 3.93Å; T326-V328 HydrophobicContact CG2-CG2 4.16Å; T326-V328 PolarHBondContact O-N 3.39Å; V328-V331 HydrophobicContact CB-CG2 3.93Å; V328-V331 HydrophobicContact CG1-CG2 3.52Å; V328-V331 WeakPolarHBondContact O-CG2 3.26Å | ||
| 329 | K | 90.5 | Very high | 90.3 | Very high | 156 Ų | 156 | 47.4 Ų | 47.4 | 68% | 0.678 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | 150.7 | -168.9 | -60.7 | -179 | -178.1 | 177.6 | 0 | 111.8 | V331 H345 | K329-V331 VanDerWaalsContact C-N 3.3Å; K329-V331 PolarHBondContact O-N 3.32Å; K329-H345 PolarHBondContact O-CE1 2.84Å; K329-H345 PolarHBondContact O-ND1 2.87Å |
| 330 | D | 91.1 | Very high | 91.1 | Very high | 70 Ų | 70 | 46.5 Ų | 46.5 | 37% | 0.374 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | 31.6 | 172.1 | 177.9 | 48.9 | 0 | 0 | 0 | 112.6 | D309 H345 G346 S347 | D309-D330 WeakPolarHBondContact O-CA 3.25Å; D309-D330 PolarHBondContact O-N 3.1Å; D330-H345 CarbonylContact O-C 3.55Å; D330-H345 WeakPolarHBondContact O-CA 3.45Å; D330-H345 WeakPolarHBondContact O-CB 3.49Å; D330-G346 PolarHBondContact O-N 3.33Å; D330-G346 VanDerWaalsContact OD1-CA 3.24Å; D330-G346 WeakPolarHBondContact OD1-CA 3.39Å; D330-G346 PolarHBondContact OD1-N 3.18Å; D330-G346 PolarHBondContact OD2-N 3.48Å; D330-S347 PolarHBondContact OD1-N 3.28Å; D330-S347 WeakPolarHBondContact OD2-CB 3.18Å; D330-S347 PolarHBondContact OD2-N 3.06Å; D330-S347 PolarHBondContact OD2-OG 2.86Å |
| 331 | V | 93.5 | Very high | 91.7 | Very high | 11 Ų | 11 | 45.7 Ų | 45.7 | 7% | 0.067 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 125.8 | 179.8 | 179.4 | 0 | 0 | 0 | 0 | 110.9 | W307 D309 V328 K329 I334 | W307-V331 HydrophobicContact CB-CG1 4.42Å; W307-V331 VanDerWaalsContact CD1-CG1 3.49Å; W307-V331 HydrophobicContact CG-CG1 4.01Å; D309-V331 PolarHBondContact O-N 3.1Å; V328-V331 HydrophobicContact CB-CG2 3.93Å; V328-V331 HydrophobicContact CG1-CG2 3.52Å; V328-V331 WeakPolarHBondContact O-CG2 3.26Å; K329-V331 VanDerWaalsContact C-N 3.3Å; K329-V331 PolarHBondContact O-N 3.32Å; V331-I334 HydrophobicContact CG1-CD1 4.02Å; V331-I334 HydrophobicContact CG1-CG1 3.81Å |
| 332 | A | 92.1 | Very high | 92.1 | Very high | 57 Ų | 57 | 41.4 Ų | 41.4 | 47% | 0.471 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | -48.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L344 | A332-L344 PolarHBondContact N-O 3.11Å |
| 333 | D | 92.3 | Very high | 92.3 | Very high | 21 Ų | 21 | 40.4 Ų | 40.4 | 11% | 0.112 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 153.8 | 177.3 | -149.2 | -5.7 | 0 | 0 | 0 | 111.2 | K295 W307 L344 | K295-D333 IonicContact NZ-OD1 3.47Å; K295-D333 PolarHBondContact NZ-OD1 2.93Å; K295-D333 IonicContact NZ-OD2 2.87Å; K295-D333 PolarHBondContact NZ-OD2 3Å; W307-D333 VanDerWaalsContact CZ2-OD1 3.24Å; W307-D333 WeakPolarHBondContact CZ2-OD1 3.47Å; D333-L344 PolarHBondContact N-O 3.1Å; D333-L344 PolarHBondContact O-N 2.95Å |
| 334 | I | 95.4 | Very high | 92.4 | Very high | 7 Ų | 7 | 39.7 Ų | 39.7 | 4% | 0.036 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 134.6 | 176.8 | -55.1 | -176.1 | 0 | 0 | 0 | 109.3 | L297 L305 W307 V312 V331 V336 L341 F342 C343 | L297-I334 WeakPolarHBondContact CD1-O 3.47Å; L305-I334 HydrophobicContact CD2-CD1 4.23Å; L305-I334 HydrophobicContact CD2-CG2 4.16Å; W307-I334 HydrophobicContact CB-CD1 3.79Å; W307-I334 HydrophobicContact CD2-CB 4.24Å; W307-I334 HydrophobicContact CD2-CD1 3.66Å; W307-I334 HydrophobicContact CD2-CG1 3.75Å; W307-I334 HydrophobicContact CE3-CB 3.95Å; W307-I334 HydrophobicContact CE3-CD1 3.68Å; W307-I334 HydrophobicContact CE3-CG1 3.89Å; W307-I334 HydrophobicContact CG-CD1 3.74Å; W307-I334 HydrophobicContact CG-CG1 4.12Å; W307-I334 HydrophobicContact CH2-CB 3.9Å; W307-I334 HydrophobicContact CH2-CG1 4.42Å; W307-I334 HydrophobicContact CZ2-CB 4.24Å; W307-I334 HydrophobicContact CZ2-CG1 4.35Å; W307-I334 HydrophobicContact CZ3-CB 3.78Å; W307-I334 HydrophobicContact CZ3-CD1 4.4Å; W307-I334 HydrophobicContact CZ3-CG1 4.23Å; V312-I334 HydrophobicContact CG1-CD1 4.37Å; V312-I334 HydrophobicContact CG2-CD1 3.81Å; V331-I334 HydrophobicContact CG1-CD1 4.02Å; V331-I334 HydrophobicContact CG1-CG1 3.81Å; I334-V336 HydrophobicContact CG2-CG1 4.11Å; I334-L341 HydrophobicContact CG2-CB 4.18Å; I334-L341 HydrophobicContact CG2-CD1 4.04Å; I334-F342 WeakPolarHBondContact CA-O 3.38Å; I334-C343 HydrophobicContact CG1-CB 4.44Å |
| 335 | A | 94.6 | Very high | 92.3 | Very high | 16 Ų | 16 | 40.9 Ų | 40.9 | 13% | 0.132 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 150 | 163.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | L40 V42 L341 F342 | L40-A335 HydrophobicContact CD1-CB 3.56Å; L40-A335 HydrophobicContact CG-CB 3.88Å; V42-A335 HydrophobicContact CG1-CB 3.88Å; A335-L341 WeakPolarHBondContact O-CA 3.39Å; A335-F342 PolarHBondContact N-O 3.28Å; A335-F342 VanDerWaalsContact N-O 3.16Å; A335-F342 PolarHBondContact O-N 2.92Å |
| 336 | V | 93.7 | Very high | 91.8 | Very high | 33 Ų | 33 | 42 Ų | 42 | 20% | 0.2 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 146.9 | -171.2 | -62.9 | 0 | 0 | 0 | 0 | 111.7 | V42 L297 Y298 F299 L305 I334 E340 L341 | V42-V336 WeakPolarHBondContact CG1-O 3.41Å; L297-V336 HydrophobicContact CB-CG2 4.14Å; L297-V336 HydrophobicContact CD1-CG1 4.02Å; L297-V336 HydrophobicContact CD1-CG2 4.13Å; Y298-V336 WeakPolarHBondContact O-CG2 3.44Å; F299-V336 HydrophobicContact CD2-CB 3.9Å; F299-V336 HydrophobicContact CD2-CG1 3.84Å; F299-V336 HydrophobicContact CE2-CB 4.36Å; F299-V336 HydrophobicContact CE2-CG1 4.23Å; L305-V336 HydrophobicContact CD1-CG1 4.32Å; L305-V336 HydrophobicContact CD2-CG1 4.42Å; I334-V336 HydrophobicContact CG2-CG1 4.11Å; V336-E340 WeakPolarHBondContact CA-O 3.34Å; V336-L341 HydrophobicContact CG1-CB 3.84Å |
| 337 | H | 89.8 | Confident | 91.2 | Very high | 46 Ų | 46 | 44.7 Ų | 44.7 | 21% | 0.213 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 114.9 | 169.1 | -176.1 | 82.6 | 0 | 0 | 0 | 109.5 | V42 N339 E340 | V42-H337 HydrophobicContact CG1-CB 3.97Å; V42-H337 HydrophobicContact CG2-CB 4Å; H337-N339 PolarHBondContact O-N 3.23Å; H337-N339 VanDerWaalsContact O-N 3.14Å; H337-E340 PolarHBondContact N-O 3.34Å; H337-E340 WeakPolarHBondContact O-CB 3.48Å; H337-E340 PolarHBondContact O-N 3.1Å |
| 338 | R | 87.4 | Confident | 90.4 | Very high | 147 Ų | 147 | 39.7 Ų | 39.7 | 56% | 0.555 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | -115.8 | -172.2 | -60.7 | 173.6 | 166.1 | -169.8 | -9.7 | 110.5 | F299 G300 | F299-R338 WeakPolarHBondContact CD2-O 3.4Å; F299-R338 VanDerWaalsContact CE2-O 3.31Å; F299-R338 WeakPolarHBondContact CE2-O 3.19Å; G300-R338 PolarHBondContact N-O 2.95Å |
| 339 | N | 89.1 | Confident | 90 | Very high | 65 Ų | 65 | 46.5 Ų | 46.5 | 35% | 0.348 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 6.1 | 179.7 | -64.4 | -33.2 | 0 | 0 | 0 | 113.6 | F299 G300 H337 L355 | F299-N339 WeakPolarHBondContact CZ-O 3.38Å; G300-N339 WeakPolarHBondContact CA-OD1 3.46Å; H337-N339 PolarHBondContact O-N 3.23Å; H337-N339 VanDerWaalsContact O-N 3.14Å; N339-L355 PolarHBondContact O-N 3.5Å |
| 340 | E | 92.1 | Very high | 90 | Very high | 62 Ų | 62 | 39.3 Ų | 39.3 | 29% | 0.29 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 138.1 | 175.7 | -62.1 | 169.4 | 173.6 | 0 | 0 | 110.1 | K61 V336 H337 F342 | K61-E340 WeakPolarHBondContact CE-OE2 3.38Å; K61-E340 IonicContact NZ-OE2 2.96Å; K61-E340 PolarHBondContact NZ-OE2 3.33Å; V336-E340 WeakPolarHBondContact CA-O 3.34Å; H337-E340 PolarHBondContact N-O 3.34Å; H337-E340 WeakPolarHBondContact O-CB 3.48Å; H337-E340 PolarHBondContact O-N 3.1Å; E340-F342 HydrophobicContact CB-CE2 4.1Å |
| 341 | L | 94.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 143.2 | 176.6 | 75.4 | 99.4 | 0 | 0 | 0 | 111.2 | L15 F299 L305 I334 A335 V336 C343 L353 | L15-L341 HydrophobicContact CD1-CD2 4.41Å; L15-L341 HydrophobicContact CD2-CD2 3.68Å; F299-L341 HydrophobicContact CE1-CD2 3.94Å; F299-L341 HydrophobicContact CE2-CB 4.05Å; F299-L341 HydrophobicContact CE2-CD2 4.29Å; F299-L341 HydrophobicContact CZ-CB 4.19Å; F299-L341 HydrophobicContact CZ-CD2 3.58Å; F299-L341 HydrophobicContact CZ-CG 4.43Å; L305-L341 HydrophobicContact CD1-CB 4.48Å; L305-L341 HydrophobicContact CD1-CD2 3.85Å; I334-L341 HydrophobicContact CG2-CB 4.18Å; I334-L341 HydrophobicContact CG2-CD1 4.04Å; A335-L341 WeakPolarHBondContact O-CA 3.39Å; V336-L341 HydrophobicContact CG1-CB 3.84Å; L341-C343 WeakPolarHBondContact CD1-SG 3.31Å; L341-L353 HydrophobicContact CD1-CB 4.08Å; L341-L353 HydrophobicContact CD1-CD1 4.18Å; L341-L353 HydrophobicContact CD1-CG 4.38Å; L341-L353 HydrophobicContact CD2-CB 4.39Å; L341-L353 HydrophobicContact CG-CB 3.97Å; L341-L353 PolarHBondContact N-O 3.28Å; L341-L353 PolarHBondContact O-N 2.99Å |
| 342 | F | 94 | Very high | 90 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 108.5 | -173.2 | -68.3 | -96.3 | 0 | 0 | 0 | 109.2 | L21 L40 V42 L47 W64 I334 A335 E340 L350 S351 H352 | L21-F342 HydrophobicContact CD1-CD1 4.45Å; L21-F342 HydrophobicContact CD1-CE1 4.47Å; L40-F342 HydrophobicContact CD1-CB 3.42Å; L40-F342 VanDerWaalsContact CD1-CB 3.42Å; L40-F342 HydrophobicContact CD1-CG 4.39Å; V42-F342 HydrophobicContact CB-CD2 4.33Å; V42-F342 HydrophobicContact CB-CE2 4.49Å; V42-F342 HydrophobicContact CG1-CD2 4.3Å; V42-F342 HydrophobicContact CG2-CD2 4.11Å; V42-F342 HydrophobicContact CG2-CE2 3.78Å; V42-F342 HydrophobicContact CG2-CZ 4.44Å; L47-F342 HydrophobicContact CD1-CD1 4Å; L47-F342 HydrophobicContact CD1-CE1 4.36Å; L47-F342 HydrophobicContact CD1-CG 4.29Å; L47-F342 HydrophobicContact CD2-CD1 4.28Å; L47-F342 HydrophobicContact CD2-CE1 4.21Å; W64-F342 AromaticContact CH2-CE1 3.64Å; W64-F342 HydrophobicContact CH2-CE1 3.64Å; W64-F342 AromaticContact CH2-CZ 3.83Å; W64-F342 HydrophobicContact CH2-CZ 3.83Å; W64-F342 AromaticContact CZ3-CE1 3.94Å; W64-F342 HydrophobicContact CZ3-CE1 3.94Å; W64-F342 HydrophobicContact CZ3-CZ 4.36Å; I334-F342 WeakPolarHBondContact CA-O 3.38Å; A335-F342 PolarHBondContact N-O 3.28Å; A335-F342 VanDerWaalsContact N-O 3.16Å; A335-F342 PolarHBondContact O-N 2.92Å; E340-F342 HydrophobicContact CB-CE2 4.1Å; F342-L350 HydrophobicContact CB-CD1 4.4Å; F342-S351 WeakPolarHBondContact CA-O 3.05Å; F342-H352 HydrophobicContact CD1-CB 4.22Å; F342-H352 HydrophobicContact CE1-CB 3.96Å; F342-H352 AromaticContact CE1-CD2 3.43Å; F342-H352 VanDerWaalsContact CE1-CD2 3.43Å; F342-H352 WeakPolarHBondContact CE1-CD2 3.48Å; F342-H352 AromaticContact CE1-CG 3.76Å; F342-H352 AromaticContact CE2-CD2 3.76Å; F342-H352 AromaticContact CZ-CD2 3.25Å; F342-H352 WeakPolarHBondContact CZ-CD2 3.16Å; F342-H352 AromaticContact CZ-CG 3.99Å; F342-H352 AromaticContact CZ-NE2 3.61Å |
| 343 | C | 94 | Very high | 90 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 114.1 | -179.5 | -62.2 | 0 | 0 | 0 | 0 | 110.5 | I334 L341 H345 L350 S351 | I334-C343 HydrophobicContact CG1-CB 4.44Å; L341-C343 WeakPolarHBondContact CD1-SG 3.31Å; C343-H345 PolarHBondContact O-CD2 3.04Å; C343-H345 VanDerWaalsContact O-CD2 3.29Å; C343-L350 WeakPolarHBondContact O-CA 3.19Å; C343-S351 PolarHBondContact N-O 3.37Å; C343-S351 PolarHBondContact O-N 3.33Å; C343-S351 VanDerWaalsContact O-N 3.07Å |
| 344 | L | 92.7 | Very high | 90.1 | Very high | 5 Ų | 5 | 32.9 Ų | 32.9 | 3% | 0.026 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 124.3 | 162.9 | 171.3 | 61.6 | 0 | 0 | 0 | 108.5 | C37 L40 A332 D333 L350 | C37-L344 HydrophobicContact CB-CD1 3.82Å; L40-L344 HydrophobicContact CD2-CB 3.45Å; L40-L344 VanDerWaalsContact CD2-CB 3.45Å; L40-L344 HydrophobicContact CD2-CD2 4.46Å; A332-L344 PolarHBondContact N-O 3.11Å; D333-L344 PolarHBondContact N-O 3.1Å; D333-L344 PolarHBondContact O-N 2.95Å; L344-L350 HydrophobicContact CB-CD1 4.37Å |
| 345 | H | 90.4 | Very high | 90 | Very high | 25 Ų | 25 | 32.9 Ų | 32.9 | 12% | 0.116 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 150.7 | 175.4 | -59.3 | -100.3 | 0 | 0 | 0 | 111 | K329 D330 C343 S347 G348 R349 S351 | K329-H345 PolarHBondContact O-CE1 2.84Å; K329-H345 PolarHBondContact O-ND1 2.87Å; D330-H345 CarbonylContact O-C 3.55Å; D330-H345 WeakPolarHBondContact O-CA 3.45Å; D330-H345 WeakPolarHBondContact O-CB 3.49Å; C343-H345 PolarHBondContact O-CD2 3.04Å; C343-H345 VanDerWaalsContact O-CD2 3.29Å; H345-S347 PolarHBondContact O-N 2.75Å; H345-G348 WeakPolarHBondContact O-CA 3.41Å; H345-G348 PolarHBondContact O-N 3.08Å; H345-R349 HydrophobicContact CB-CB 4.41Å; H345-R349 PolarHBondContact CD2-O 2.71Å; H345-R349 PolarHBondContact N-O 2.75Å; H345-S351 PolarHBondContact NE2-OG 3.48Å |
| 346 | G | 84.8 | Confident | 89.9 | Confident | 42 Ų | 42 | 32.8 Ų | 32.8 | 43% | 0.433 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -25.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | D330 G348 | D330-G346 PolarHBondContact O-N 3.33Å; D330-G346 VanDerWaalsContact OD1-CA 3.24Å; D330-G346 WeakPolarHBondContact OD1-CA 3.39Å; D330-G346 PolarHBondContact OD1-N 3.18Å; D330-G346 PolarHBondContact OD2-N 3.48Å; G346-G348 PolarHBondContact O-N 3.25Å |
| 347 | S | 79.3 | Confident | 89.8 | Confident | 57 Ų | 57 | 31.7 Ų | 31.7 | 40% | 0.399 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -4.9 | 166.9 | 49.9 | 0 | 0 | 0 | 0 | 114.8 | D330 H345 R349 | D330-S347 PolarHBondContact OD1-N 3.28Å; D330-S347 WeakPolarHBondContact OD2-CB 3.18Å; D330-S347 PolarHBondContact OD2-N 3.06Å; D330-S347 PolarHBondContact OD2-OG 2.86Å; H345-S347 PolarHBondContact O-N 2.75Å; S347-R349 PolarHBondContact OG-NE 3.27Å; S347-R349 PolarHBondContact OG-NH2 2.94Å |
| 348 | G | 76.9 | Confident | 90 | Very high | 5 Ų | 5 | 29.5 Ų | 29.5 | 5% | 0.052 | 15% | 0.15 | C | C | . | . | S | Bend | trans | 86.3 | 1.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | H345 G346 | H345-G348 WeakPolarHBondContact O-CA 3.41Å; H345-G348 PolarHBondContact O-N 3.08Å; G346-G348 PolarHBondContact O-N 3.25Å |
| 349 | R | 82.4 | Confident | 90.2 | Very high | 151 Ų | 151 | 23 Ų | 23 | 57% | 0.57 | 13% | 0.126 | S | C | * | . | trans | -78.1 | 158.9 | 174.4 | -73.4 | 178.2 | -72 | -175.4 | -1.9 | 111.4 | H345 S347 | H345-R349 HydrophobicContact CB-CB 4.41Å; H345-R349 PolarHBondContact CD2-O 2.71Å; H345-R349 PolarHBondContact N-O 2.75Å; S347-R349 PolarHBondContact OG-NE 3.27Å; S347-R349 PolarHBondContact OG-NH2 2.94Å | ||
| 350 | L | 89.7 | Confident | 90.3 | Very high | 5 Ų | 5 | 24 Ų | 24 | 3% | 0.026 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 127.5 | 178.2 | -172.3 | 72.2 | 0 | 0 | 0 | 109.3 | L21 L25 L40 L47 L49 F342 C343 L344 | L21-L350 HydrophobicContact CD1-CD2 3.79Å; L21-L350 HydrophobicContact CD1-CG 4.06Å; L25-L350 HydrophobicContact CD1-CB 4.04Å; L25-L350 HydrophobicContact CD2-CB 4.06Å; L40-L350 HydrophobicContact CD1-CD1 4.26Å; L40-L350 HydrophobicContact CD2-CD1 4.19Å; L47-L350 HydrophobicContact CD1-CD2 4.48Å; L47-L350 HydrophobicContact CD2-CD2 3.83Å; L49-L350 HydrophobicContact CD1-CD2 4.19Å; L49-L350 HydrophobicContact CD2-CD2 3.87Å; F342-L350 HydrophobicContact CB-CD1 4.4Å; C343-L350 WeakPolarHBondContact O-CA 3.19Å; L344-L350 HydrophobicContact CB-CD1 4.37Å |
| 351 | S | 90.3 | Very high | 90.3 | Very high | 13 Ų | 13 | 21.1 Ų | 21.1 | 9% | 0.091 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 142.3 | 172.9 | 54.3 | 0 | 0 | 0 | 0 | 111.3 | F342 C343 H345 | F342-S351 WeakPolarHBondContact CA-O 3.05Å; C343-S351 PolarHBondContact N-O 3.37Å; C343-S351 PolarHBondContact O-N 3.33Å; C343-S351 VanDerWaalsContact O-N 3.07Å; H345-S351 PolarHBondContact NE2-OG 3.48Å |
| 352 | H | 93.7 | Very high | 90.3 | Very high | 6 Ų | 6 | 21.1 Ų | 21.1 | 3% | 0.028 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 108.8 | 177 | 174.4 | -137.3 | 0 | 0 | 0 | 109.5 | D19 L21 W64 F342 | D19-H352 IonicContact OD2-CE1 3.65Å; D19-H352 PolarHBondContact OD2-CE1 3.37Å; D19-H352 IonicContact OD2-ND1 2.74Å; D19-H352 PolarHBondContact OD2-ND1 3.2Å; L21-H352 HydrophobicContact CD1-CB 3.96Å; L21-H352 HydrophobicContact CG-CB 4.19Å; W64-H352 AromaticContact CZ2-ND1 3.7Å; F342-H352 HydrophobicContact CD1-CB 4.22Å; F342-H352 HydrophobicContact CE1-CB 3.96Å; F342-H352 AromaticContact CE1-CD2 3.43Å; F342-H352 VanDerWaalsContact CE1-CD2 3.43Å; F342-H352 WeakPolarHBondContact CE1-CD2 3.48Å; F342-H352 AromaticContact CE1-CG 3.76Å; F342-H352 AromaticContact CE2-CD2 3.76Å; F342-H352 AromaticContact CZ-CD2 3.25Å; F342-H352 WeakPolarHBondContact CZ-CD2 3.16Å; F342-H352 AromaticContact CZ-CG 3.99Å; F342-H352 AromaticContact CZ-NE2 3.61Å |
| 353 | L | 93.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 138.8 | -176.4 | -46.2 | -178.6 | 0 | 0 | 0 | 110.1 | A16 E17 L272 L341 | A16-L353 WeakPolarHBondContact O-CA 3.38Å; E17-L353 HydrophobicContact CB-CD2 3.61Å; E17-L353 HydrophobicContact CG-CD2 3.98Å; L272-L353 HydrophobicContact CD1-CD1 3.81Å; L272-L353 HydrophobicContact CD1-CD2 4.04Å; L272-L353 HydrophobicContact CD1-CG 4.42Å; L272-L353 HydrophobicContact CD2-CD1 4.24Å; L272-L353 HydrophobicContact CD2-CD2 4Å; L272-L353 HydrophobicContact CG-CD2 4.48Å; L341-L353 HydrophobicContact CD1-CB 4.08Å; L341-L353 HydrophobicContact CD1-CD1 4.18Å; L341-L353 HydrophobicContact CD1-CG 4.38Å; L341-L353 HydrophobicContact CD2-CB 4.39Å; L341-L353 HydrophobicContact CG-CB 3.97Å; L341-L353 PolarHBondContact N-O 3.28Å; L341-L353 PolarHBondContact O-N 2.99Å |
| 354 | S | 93.6 | Very high | 90.1 | Very high | 6 Ų | 6 | 28.8 Ų | 28.8 | 4% | 0.042 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 136.1 | 173.9 | -66.7 | 0 | 0 | 0 | 0 | 111 | L15 A16 | L15-S354 WeakPolarHBondContact CA-O 3.36Å; A16-S354 PolarHBondContact N-O 3.33Å; A16-S354 PolarHBondContact O-N 3.48Å |
| 355 | L | 94.1 | Very high | 90.1 | Very high | 7 Ų | 7 | 29 Ų | 29 | 4% | 0.037 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 125.4 | 164.3 | -179.5 | 69.8 | 0 | 0 | 0 | 109.7 | H13 L15 F299 I314 L323 L324 N339 | H13-L355 HydrophobicContact CB-CD1 3.98Å; L15-L355 HydrophobicContact CD2-CB 4.01Å; L15-L355 HydrophobicContact CD2-CD1 4.09Å; F299-L355 HydrophobicContact CD1-CD2 4.08Å; F299-L355 HydrophobicContact CE1-CB 3.6Å; F299-L355 HydrophobicContact CE1-CD2 3.62Å; F299-L355 HydrophobicContact CE1-CG 4.16Å; F299-L355 HydrophobicContact CZ-CB 3.7Å; F299-L355 HydrophobicContact CZ-CD2 4.41Å; I314-L355 HydrophobicContact CD1-CD1 4.03Å; I314-L355 HydrophobicContact CD1-CD2 4.44Å; L323-L355 HydrophobicContact CD2-CD1 4.39Å; L323-L355 HydrophobicContact CD2-CD2 4.13Å; L324-L355 HydrophobicContact CD2-CD1 3.77Å; N339-L355 PolarHBondContact O-N 3.5Å |
| 356 | L | 92.4 | Very high | 90.1 | Very high | 14 Ų | 14 | 29 Ų | 29 | 7% | 0.073 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 156.5 | 178.5 | -65.7 | 176.4 | 0 | 0 | 0 | 111 | H13 L14 F18 R360 | H13-L356 CarbonylContact C-O 3.53Å; H13-L356 WeakPolarHBondContact CA-O 3.4Å; H13-L356 WeakPolarHBondContact CB-O 3.44Å; L14-L356 PolarHBondContact N-O 3.12Å; L14-L356 PolarHBondContact O-N 2.75Å; L14-L356 VanDerWaalsContact O-N 3.13Å; F18-L356 HydrophobicContact CE2-CD1 3.49Å; F18-L356 VanDerWaalsContact CE2-CD1 3.49Å; F18-L356 HydrophobicContact CZ-CD1 3.75Å; L356-R360 HydrophobicContact CB-CB 4.29Å; L356-R360 HydrophobicContact CD2-CB 4.34Å |
| 357 | S | 91.8 | Very high | 90.4 | Very high | 9 Ų | 9 | 35.9 Ų | 35.9 | 6% | 0.063 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 150.9 | 159.5 | 54.8 | 0 | 0 | 0 | 0 | 110.4 | S12 E359 R360 C361 | S12-S357 VanDerWaalsContact O-CA 3.3Å; S12-S357 WeakPolarHBondContact O-CA 3.45Å; S357-E359 VanDerWaalsContact C-N 3.3Å; S357-E359 PolarHBondContact O-N 2.84Å; S357-E359 VanDerWaalsContact OG-CG 3.24Å; S357-E359 WeakPolarHBondContact OG-CG 3.41Å; S357-E359 PolarHBondContact OG-OE1 3.06Å; S357-R360 PolarHBondContact O-N 3.27Å; S357-R360 VanDerWaalsContact OG-CD 3.26Å; S357-R360 WeakPolarHBondContact OG-CD 3.34Å; S357-R360 WeakPolarHBondContact OG-CG 3.31Å; S357-C361 PolarHBondContact O-N 3.19Å; S357-C361 VanDerWaalsContact O-N 3.09Å |
| 358 | A | 92.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.2 | -40.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113 | S12 L14 R360 C361 V362 F381 T384 | S12-A358 PolarHBondContact O-N 3.18Å; S12-A358 VanDerWaalsContact O-N 3.1Å; L14-A358 HydrophobicContact CD2-CB 4.37Å; A358-R360 VanDerWaalsContact C-N 3.33Å; A358-R360 PolarHBondContact O-N 2.84Å; A358-C361 WeakPolarHBondContact O-CB 3.46Å; A358-C361 PolarHBondContact O-N 2.65Å; A358-C361 VanDerWaalsContact O-N 3.15Å; A358-V362 PolarHBondContact O-N 2.74Å; A358-F381 HydrophobicContact CB-CB 3.49Å; A358-F381 VanDerWaalsContact CB-CB 3.49Å; A358-F381 HydrophobicContact CB-CD1 3.86Å; A358-F381 HydrophobicContact CB-CD2 4.16Å; A358-F381 HydrophobicContact CB-CG 3.59Å; A358-T384 HydrophobicContact CB-CG2 4.12Å |
| 359 | E | 91.6 | Very high | 91.6 | Very high | 12 Ų | 12 | 46.3 Ų | 46.3 | 6% | 0.056 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -50.3 | -47 | 171.2 | 43.7 | 164.7 | -148.4 | 0 | 0 | 112.7 | S357 V362 E363 T384 I385 R389 A390 I394 | S357-E359 VanDerWaalsContact C-N 3.3Å; S357-E359 PolarHBondContact O-N 2.84Å; S357-E359 VanDerWaalsContact OG-CG 3.24Å; S357-E359 WeakPolarHBondContact OG-CG 3.41Å; S357-E359 PolarHBondContact OG-OE1 3.06Å; E359-V362 PolarHBondContact O-N 3.07Å; E359-E363 PolarHBondContact O-N 2.87Å; E359-T384 HydrophobicContact CG-CG2 4.39Å; E359-I385 HydrophobicContact CB-CD1 4.4Å; E359-R389 IonicContact OE1-NH2 3.48Å; E359-A390 HydrophobicContact CB-CB 4.21Å; E359-I394 HydrophobicContact CB-CD1 4.26Å |
| 360 | R | 92.3 | Very high | 92 | Very high | 86 Ų | 86 | 40.7 Ų | 40.7 | 33% | 0.325 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -74.7 | -27.1 | -178.9 | -67.7 | 174 | 174.1 | -130 | -16.7 | 112.8 | L356 S357 A358 R364 E478 | L356-R360 HydrophobicContact CB-CB 4.29Å; L356-R360 HydrophobicContact CD2-CB 4.34Å; S357-R360 PolarHBondContact O-N 3.27Å; S357-R360 VanDerWaalsContact OG-CD 3.26Å; S357-R360 WeakPolarHBondContact OG-CD 3.34Å; S357-R360 WeakPolarHBondContact OG-CG 3.31Å; A358-R360 VanDerWaalsContact C-N 3.33Å; A358-R360 PolarHBondContact O-N 2.84Å; R360-R364 WeakPolarHBondContact O-CB 3.33Å; R360-R364 WeakPolarHBondContact O-CG 3.39Å; R360-R364 PolarHBondContact O-N 3.41Å; R360-R364 VanDerWaalsContact O-N 3.14Å; R360-E478 IonicContact CZ-OE2 3.27Å; R360-E478 IonicContact NH1-OE2 2.95Å; R360-E478 PolarHBondContact NH1-OE2 2.99Å; R360-E478 IonicContact NH2-OE2 3.84Å; R360-E478 PolarHBondContact NH2-OE2 2.95Å |
| 361 | C | 93 | Very high | 92.1 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.6 | -51.1 | 171.5 | -178.1 | 0 | 0 | 0 | 0 | 110.5 | L14 S357 A358 E363 R364 L365 V377 | L14-C361 HydrophobicContact CD1-CB 3.88Å; L14-C361 HydrophobicContact CD2-CB 4.04Å; L14-C361 HydrophobicContact CG-CB 4.28Å; S357-C361 PolarHBondContact O-N 3.19Å; S357-C361 VanDerWaalsContact O-N 3.09Å; A358-C361 WeakPolarHBondContact O-CB 3.46Å; A358-C361 PolarHBondContact O-N 2.65Å; A358-C361 VanDerWaalsContact O-N 3.15Å; C361-E363 VanDerWaalsContact C-N 3.35Å; C361-E363 PolarHBondContact O-N 3.26Å; C361-R364 PolarHBondContact O-N 3.38Å; C361-L365 WeakPolarHBondContact O-CG 3.42Å; C361-L365 PolarHBondContact O-N 2.71Å; C361-V377 HydrophobicContact CB-CG1 4.48Å |
| 362 | V | 93.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -56.6 | -48.4 | 176 | 172.9 | 0 | 0 | 0 | 0 | 110.6 | A358 E359 R364 L365 L366 V377 C378 I385 I394 | A358-V362 PolarHBondContact O-N 2.74Å; E359-V362 PolarHBondContact O-N 3.07Å; V362-R364 VanDerWaalsContact C-N 3.32Å; V362-R364 PolarHBondContact O-N 3.44Å; V362-L365 PolarHBondContact O-N 2.92Å; V362-L365 VanDerWaalsContact O-N 3.11Å; V362-L366 HydrophobicContact CG1-CD1 3.89Å; V362-L366 HydrophobicContact CG1-CG 4.21Å; V362-L366 WeakPolarHBondContact O-CG 3.36Å; V362-L366 PolarHBondContact O-N 2.8Å; V362-V377 HydrophobicContact CG2-CB 3.97Å; V362-V377 HydrophobicContact CG2-CG1 3.67Å; V362-C378 VanDerWaalsContact CG1-SG 3.54Å; V362-I385 HydrophobicContact CG2-CD1 4.17Å; V362-I394 HydrophobicContact CB-CD1 3.83Å; V362-I394 HydrophobicContact CG1-CD1 3.75Å; V362-I394 HydrophobicContact CG1-CG1 4.48Å |
| 363 | E | 92.2 | Very high | 92 | Very high | 53 Ų | 53 | 46 Ų | 46 | 25% | 0.248 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -56.6 | -43.5 | 178.4 | -164.7 | -162.5 | 162.9 | 0 | 0 | 112.4 | E359 C361 R367 | E359-E363 PolarHBondContact O-N 2.87Å; C361-E363 VanDerWaalsContact C-N 3.35Å; C361-E363 PolarHBondContact O-N 3.26Å; E363-R367 VanDerWaalsContact O-CG 3.28Å; E363-R367 WeakPolarHBondContact O-CG 3.15Å; E363-R367 PolarHBondContact O-N 3.03Å; E363-R367 VanDerWaalsContact O-N 3.1Å; E363-R367 IonicContact OE1-CZ 2.84Å; E363-R367 VanDerWaalsContact OE1-CZ 3.32Å; E363-R367 IonicContact OE1-NE 3.1Å; E363-R367 PolarHBondContact OE1-NE 3.27Å; E363-R367 IonicContact OE1-NH2 2.66Å; E363-R367 PolarHBondContact OE1-NH2 3.4Å |
| 364 | R | 91.6 | Very high | 91.9 | Very high | 108 Ų | 108 | 46 Ų | 46 | 41% | 0.408 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -69.7 | -33.1 | 176.5 | -75.5 | -175.7 | -179.5 | -167 | -0.8 | 113.5 | F18 R360 C361 V362 R368 | F18-R364 HydrophobicContact CD1-CB 4.48Å; F18-R364 HydrophobicContact CE1-CB 3.65Å; F18-R364 HydrophobicContact CZ-CB 3.81Å; F18-R364 HydrophobicContact CZ-CG 4.47Å; R360-R364 WeakPolarHBondContact O-CB 3.33Å; R360-R364 WeakPolarHBondContact O-CG 3.39Å; R360-R364 PolarHBondContact O-N 3.41Å; R360-R364 VanDerWaalsContact O-N 3.14Å; C361-R364 PolarHBondContact O-N 3.38Å; V362-R364 VanDerWaalsContact C-N 3.32Å; V362-R364 PolarHBondContact O-N 3.44Å; R364-R368 WeakPolarHBondContact O-CG 3.48Å; R364-R368 PolarHBondContact O-N 3.25Å |
| 365 | L | 92.1 | Very high | 91.8 | Very high | 11 Ų | 11 | 45.8 Ų | 45.8 | 6% | 0.058 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -71.1 | -40 | 175.9 | -70 | 169.5 | 0 | 0 | 0 | 111.5 | F18 I273 C361 V362 R368 E369 S370 L373 A374 V377 | F18-L365 HydrophobicContact CE1-CD2 4.21Å; F18-L365 HydrophobicContact CE1-CG 4.35Å; I273-L365 HydrophobicContact CG2-CD1 4.28Å; C361-L365 WeakPolarHBondContact O-CG 3.42Å; C361-L365 PolarHBondContact O-N 2.71Å; V362-L365 PolarHBondContact O-N 2.92Å; V362-L365 VanDerWaalsContact O-N 3.11Å; L365-R368 CarbonylContact O-C 3.59Å; L365-R368 PolarHBondContact O-N 2.75Å; L365-R368 VanDerWaalsContact O-N 3.1Å; L365-E369 PolarHBondContact O-N 2.77Å; L365-S370 PolarHBondContact O-N 2.86Å; L365-L373 HydrophobicContact CD1-CB 4.12Å; L365-L373 HydrophobicContact CD2-CB 4.31Å; L365-A374 HydrophobicContact CB-CB 3.84Å; L365-V377 HydrophobicContact CD1-CG2 4.14Å |
| 366 | L | 91.5 | Very high | 91.7 | Very high | 23 Ų | 23 | 46.4 Ų | 46.4 | 12% | 0.12 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.2 | -45.2 | 173.2 | -69.4 | 173 | 0 | 0 | 0 | 111.8 | V362 R368 E369 W371 A374 L402 | V362-L366 HydrophobicContact CG1-CD1 3.89Å; V362-L366 HydrophobicContact CG1-CG 4.21Å; V362-L366 WeakPolarHBondContact O-CG 3.36Å; V362-L366 PolarHBondContact O-N 2.8Å; L366-R368 PolarHBondContact O-N 3.26Å; L366-R368 VanDerWaalsContact O-N 3.11Å; L366-E369 PolarHBondContact O-N 3.46Å; L366-E369 VanDerWaalsContact O-N 3.11Å; L366-W371 HydrophobicContact CD2-CE3 3.85Å; L366-W371 HydrophobicContact CD2-CZ3 3.77Å; L366-A374 HydrophobicContact CD2-CB 4.02Å; L366-A374 HydrophobicContact CG-CB 4.24Å; L366-L402 HydrophobicContact CD2-CB 3.9Å; L366-L402 HydrophobicContact CD2-CD1 3.81Å; L366-L402 HydrophobicContact CD2-CD2 4.19Å; L366-L402 HydrophobicContact CD2-CG 4.18Å |
| 367 | R | 91 | Very high | 91.8 | Very high | 187 Ų | 187 | 45.8 Ų | 45.8 | 71% | 0.706 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -8.9 | 174.3 | -70.2 | 170.5 | -179 | -132.9 | 12.7 | 114.2 | E363 | E363-R367 VanDerWaalsContact O-CG 3.28Å; E363-R367 WeakPolarHBondContact O-CG 3.15Å; E363-R367 PolarHBondContact O-N 3.03Å; E363-R367 VanDerWaalsContact O-N 3.1Å; E363-R367 IonicContact OE1-CZ 2.84Å; E363-R367 VanDerWaalsContact OE1-CZ 3.32Å; E363-R367 IonicContact OE1-NE 3.1Å; E363-R367 PolarHBondContact OE1-NE 3.27Å; E363-R367 IonicContact OE1-NH2 2.66Å; E363-R367 PolarHBondContact OE1-NH2 3.4Å |
| 368 | R | 89.9 | Confident | 91.8 | Very high | 135 Ų | 135 | 45.3 Ų | 45.3 | 51% | 0.509 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.4 | 17.8 | 176.9 | -69.5 | -177.3 | 171.6 | -147.9 | 7.3 | 112.2 | F18 D19 R364 L365 L366 S370 | F18-R368 PolarHBondContact O-NH1 3.17Å; D19-R368 IonicContact OD1-CZ 2.74Å; D19-R368 IonicContact OD1-NH1 2.95Å; D19-R368 PolarHBondContact OD1-NH1 2.98Å; D19-R368 IonicContact OD1-NH2 2.76Å; D19-R368 PolarHBondContact OD1-NH2 3.27Å; R364-R368 WeakPolarHBondContact O-CG 3.48Å; R364-R368 PolarHBondContact O-N 3.25Å; L365-R368 CarbonylContact O-C 3.59Å; L365-R368 PolarHBondContact O-N 2.75Å; L365-R368 VanDerWaalsContact O-N 3.1Å; L366-R368 PolarHBondContact O-N 3.26Å; L366-R368 VanDerWaalsContact O-N 3.11Å; R368-S370 PolarHBondContact O-N 2.91Å |
| 369 | E | 91.4 | Very high | 91.7 | Very high | 146 Ų | 146 | 45.6 Ų | 45.6 | 68% | 0.682 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 23 | 176.4 | -54.8 | -178.6 | 171.6 | 0 | 0 | 114.1 | L365 L366 W371 | L365-E369 PolarHBondContact O-N 2.77Å; L366-E369 PolarHBondContact O-N 3.46Å; L366-E369 VanDerWaalsContact O-N 3.11Å; E369-W371 HydrophobicContact CB-CZ2 3.82Å; E369-W371 HydrophobicContact CG-CH2 4.46Å; E369-W371 HydrophobicContact CG-CZ2 3.85Å; E369-W371 PolarHBondContact O-N 2.92Å; E369-W371 PolarHBondContact O-NE1 3.37Å |
| 370 | S | 90.3 | Very high | 91.7 | Very high | 34 Ų | 34 | 45.1 Ų | 45.1 | 24% | 0.238 | 20% | 0.198 | C | C | . | . | trans | -89.3 | 59 | -176.8 | -159.5 | 0 | 0 | 0 | 0 | 110.7 | L365 R368 T372 L373 A374 | L365-S370 PolarHBondContact O-N 2.86Å; R368-S370 PolarHBondContact O-N 2.91Å; S370-T372 VanDerWaalsContact C-N 3.31Å; S370-T372 PolarHBondContact O-N 3.19Å; S370-L373 PolarHBondContact O-N 3.24Å; S370-A374 WeakPolarHBondContact O-CB 3.33Å; S370-A374 PolarHBondContact O-N 3.48Å | ||
| 371 | W | 91.5 | Very high | 91.7 | Very high | 53 Ų | 53 | 41.1 Ų | 41.1 | 20% | 0.201 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -53.9 | -44 | -169.5 | -46.2 | 116 | 0 | 0 | 0 | 113 | L366 E369 L373 A374 A375 H401 L402 Q405 L406 | L366-W371 HydrophobicContact CD2-CE3 3.85Å; L366-W371 HydrophobicContact CD2-CZ3 3.77Å; E369-W371 HydrophobicContact CB-CZ2 3.82Å; E369-W371 HydrophobicContact CG-CH2 4.46Å; E369-W371 HydrophobicContact CG-CZ2 3.85Å; E369-W371 PolarHBondContact O-N 2.92Å; E369-W371 PolarHBondContact O-NE1 3.37Å; W371-L373 PolarHBondContact O-N 3.26Å; W371-A374 PolarHBondContact O-N 3.3Å; W371-A375 WeakPolarHBondContact O-CB 3.11Å; W371-A375 PolarHBondContact O-N 2.9Å; W371-H401 AromaticContact CH2-NE2 3.73Å; W371-L402 HydrophobicContact CB-CD1 3.98Å; W371-L402 HydrophobicContact CE3-CD1 4Å; W371-L402 VanDerWaalsContact O-CD1 3.29Å; W371-L402 WeakPolarHBondContact O-CD1 3.32Å; W371-Q405 HydrophobicContact CB-CB 4.25Å; W371-Q405 HydrophobicContact CD2-CB 3.72Å; W371-Q405 HydrophobicContact CD2-CG 3.94Å; W371-Q405 HydrophobicContact CE3-CB 4.27Å; W371-Q405 HydrophobicContact CE3-CG 4.22Å; W371-Q405 HydrophobicContact CG-CB 3.68Å; W371-Q405 HydrophobicContact CG-CG 4.41Å; W371-Q405 HydrophobicContact CH2-CG 4.4Å; W371-Q405 HydrophobicContact CZ2-CG 4.12Å; W371-Q405 HydrophobicContact CZ3-CG 4.44Å; W371-L406 HydrophobicContact CB-CD2 4.24Å |
| 372 | T | 91 | Very high | 91.6 | Very high | 62 Ų | 62 | 43.4 Ų | 43.4 | 38% | 0.38 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -65.8 | -42.3 | -176.3 | 61.6 | 0 | 0 | 0 | 0 | 112.4 | S370 T376 L406 | S370-T372 VanDerWaalsContact C-N 3.31Å; S370-T372 PolarHBondContact O-N 3.19Å; T372-T376 WeakPolarHBondContact O-CB 3.17Å; T372-T376 PolarHBondContact O-N 3.06Å; T372-T376 VanDerWaalsContact O-N 3.11Å; T372-T376 PolarHBondContact O-OG1 2.71Å; T372-L406 HydrophobicContact CG2-CD2 4.45Å |
| 373 | L | 91 | Very high | 91.4 | Very high | 21 Ų | 21 | 44.9 Ų | 44.9 | 11% | 0.11 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -72.1 | -39.7 | 175.1 | -67.5 | -179.8 | 0 | 0 | 0 | 111.5 | T274 P279 L365 S370 W371 T376 V377 | T274-L373 WeakPolarHBondContact O-CD1 3.27Å; P279-L373 HydrophobicContact CG-CD2 4.31Å; L365-L373 HydrophobicContact CD1-CB 4.12Å; L365-L373 HydrophobicContact CD2-CB 4.31Å; S370-L373 PolarHBondContact O-N 3.24Å; W371-L373 PolarHBondContact O-N 3.26Å; L373-T376 PolarHBondContact O-N 3.37Å; L373-V377 WeakPolarHBondContact O-CG2 3.47Å; L373-V377 PolarHBondContact O-N 2.85Å |
| 374 | A | 92.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.4 | -51 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L365 L366 S370 W371 T376 V377 C378 L402 | L365-A374 HydrophobicContact CB-CB 3.84Å; L366-A374 HydrophobicContact CD2-CB 4.02Å; L366-A374 HydrophobicContact CG-CB 4.24Å; S370-A374 WeakPolarHBondContact O-CB 3.33Å; S370-A374 PolarHBondContact O-N 3.48Å; W371-A374 PolarHBondContact O-N 3.3Å; A374-T376 VanDerWaalsContact C-N 3.33Å; A374-T376 PolarHBondContact O-N 3.36Å; A374-V377 PolarHBondContact O-N 2.74Å; A374-C378 PolarHBondContact O-N 2.95Å; A374-C378 PolarHBondContact O-SG 2.77Å; A374-L402 HydrophobicContact CB-CD1 3.94Å; A374-L402 HydrophobicContact CB-CD2 4.37Å |
| 375 | A | 92.1 | Very high | 91 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63 | -37.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | W371 C378 C379 L402 L406 L414 L418 | W371-A375 WeakPolarHBondContact O-CB 3.11Å; W371-A375 PolarHBondContact O-N 2.9Å; A375-C378 WeakPolarHBondContact O-CB 3.25Å; A375-C378 PolarHBondContact O-N 2.86Å; A375-C379 PolarHBondContact O-N 3.21Å; A375-C379 PolarHBondContact O-SG 3.18Å; A375-L402 HydrophobicContact CB-CD1 4.15Å; A375-L402 HydrophobicContact CB-CD2 4.14Å; A375-L402 HydrophobicContact CB-CG 4.27Å; A375-L406 HydrophobicContact CB-CD1 3.84Å; A375-L406 HydrophobicContact CB-CD2 4.2Å; A375-L414 HydrophobicContact CB-CD1 3.94Å; A375-L414 HydrophobicContact CB-CD2 4Å; A375-L414 HydrophobicContact CB-CG 4.05Å; A375-L418 HydrophobicContact CB-CD2 4.1Å |
| 376 | T | 92.1 | Very high | 90.7 | Very high | 21 Ų | 21 | 39.1 Ų | 39.1 | 13% | 0.129 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.9 | -47.6 | 175.8 | -59.3 | 0 | 0 | 0 | 0 | 111.1 | I4 P279 T372 L373 A374 C378 C379 M380 | I4-T376 HydrophobicContact CD1-CG2 4.1Å; P279-T376 HydrophobicContact CG-CG2 3.71Å; T372-T376 WeakPolarHBondContact O-CB 3.17Å; T372-T376 PolarHBondContact O-N 3.06Å; T372-T376 VanDerWaalsContact O-N 3.11Å; T372-T376 PolarHBondContact O-OG1 2.71Å; L373-T376 PolarHBondContact O-N 3.37Å; A374-T376 VanDerWaalsContact C-N 3.33Å; A374-T376 PolarHBondContact O-N 3.36Å; T376-C378 VanDerWaalsContact C-N 3.33Å; T376-C378 PolarHBondContact O-N 3.04Å; T376-C379 PolarHBondContact O-N 2.77Å; T376-M380 HydrophobicContact CG2-CG 4.46Å; T376-M380 HydrophobicContact CG2-SD 4.15Å; T376-M380 WeakPolarHBondContact O-CB 3.3Å; T376-M380 VanDerWaalsContact O-CG 3.29Å; T376-M380 WeakPolarHBondContact O-CG 3.46Å; T376-M380 PolarHBondContact O-N 3.3Å |
| 377 | V | 92.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.9 | -36.8 | 176.5 | 176.6 | 0 | 0 | 0 | 0 | 111.6 | L14 I273 C361 V362 L365 L373 A374 M380 F381 | L14-V377 HydrophobicContact CD2-CG1 3.88Å; I273-V377 HydrophobicContact CD1-CG2 3.78Å; I273-V377 HydrophobicContact CG1-CG2 4.1Å; I273-V377 HydrophobicContact CG2-CG2 4.19Å; C361-V377 HydrophobicContact CB-CG1 4.48Å; V362-V377 HydrophobicContact CG2-CB 3.97Å; V362-V377 HydrophobicContact CG2-CG1 3.67Å; L365-V377 HydrophobicContact CD1-CG2 4.14Å; L373-V377 WeakPolarHBondContact O-CG2 3.47Å; L373-V377 PolarHBondContact O-N 2.85Å; A374-V377 PolarHBondContact O-N 2.74Å; V377-M380 PolarHBondContact O-N 3.45Å; V377-F381 HydrophobicContact CG1-CD2 4.08Å; V377-F381 PolarHBondContact O-N 2.77Å |
| 378 | C | 91.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57.6 | -48.2 | 172.9 | -72.2 | 0 | 0 | 0 | 0 | 112.7 | V362 A374 A375 T376 Q382 L418 | V362-C378 VanDerWaalsContact CG1-SG 3.54Å; A374-C378 PolarHBondContact O-N 2.95Å; A374-C378 PolarHBondContact O-SG 2.77Å; A375-C378 WeakPolarHBondContact O-CB 3.25Å; A375-C378 PolarHBondContact O-N 2.86Å; T376-C378 VanDerWaalsContact C-N 3.33Å; T376-C378 PolarHBondContact O-N 3.04Å; C378-Q382 WeakPolarHBondContact O-CA 3.34Å; C378-Q382 PolarHBondContact O-N 3.27Å; C378-L418 HydrophobicContact CB-CD1 3.93Å |
| 379 | C | 91.4 | Very high | 89.1 | Confident | 6 Ų | 6 | 34 Ų | 34 | 4% | 0.041 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.7 | -43.4 | -179.2 | -60 | 0 | 0 | 0 | 0 | 111.3 | I4 A375 T376 F381 Q417 | I4-C379 HydrophobicContact CB-CB 4.45Å; I4-C379 HydrophobicContact CD1-CB 4.39Å; I4-C379 HydrophobicContact CG2-CB 4.32Å; A375-C379 PolarHBondContact O-N 3.21Å; A375-C379 PolarHBondContact O-SG 3.18Å; T376-C379 PolarHBondContact O-N 2.77Å; C379-F381 PolarHBondContact O-N 2.83Å; C379-Q417 HydrophobicContact CB-CB 4.34Å |
| 380 | M | 91.2 | Very high | 88.6 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.7 | -44.1 | 178.2 | -74.4 | -175.3 | 63.5 | 0 | 0 | 113.6 | I4 V7 P271 P279 Y281 T376 V377 | I4-M380 HydrophobicContact CG2-CB 4.43Å; I4-M380 HydrophobicContact CG2-CG 3.34Å; V7-M380 HydrophobicContact CG2-CB 4.31Å; V7-M380 HydrophobicContact CG2-CE 3.83Å; V7-M380 PolarHBondContact N-O 3.48Å; P271-M380 HydrophobicContact CG-CE 3.61Å; P279-M380 HydrophobicContact CB-SD 4.35Å; P279-M380 HydrophobicContact CG-SD 4.43Å; Y281-M380 HydrophobicContact CG-CE 4.41Å; T376-M380 HydrophobicContact CG2-CG 4.46Å; T376-M380 HydrophobicContact CG2-SD 4.15Å; T376-M380 WeakPolarHBondContact O-CB 3.3Å; T376-M380 VanDerWaalsContact O-CG 3.29Å; T376-M380 WeakPolarHBondContact O-CG 3.46Å; T376-M380 PolarHBondContact O-N 3.3Å; V377-M380 PolarHBondContact O-N 3.45Å |
| 381 | F | 91.9 | Very high | 88.1 | Confident | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.009 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | 34.4 | -174.5 | -69.3 | -93.5 | 0 | 0 | 0 | 112.3 | V7 L14 L270 A358 V377 C379 H383 T384 I385 | V7-F381 HydrophobicContact CB-CD1 4.28Å; V7-F381 HydrophobicContact CB-CE1 4.14Å; V7-F381 HydrophobicContact CB-CZ 4.44Å; V7-F381 HydrophobicContact CG1-CD1 4.38Å; V7-F381 HydrophobicContact CG1-CE1 3.9Å; V7-F381 HydrophobicContact CG1-CZ 4.33Å; V7-F381 HydrophobicContact CG2-CD2 4.49Å; V7-F381 HydrophobicContact CG2-CE1 4.2Å; V7-F381 HydrophobicContact CG2-CE2 4.14Å; V7-F381 HydrophobicContact CG2-CZ 3.99Å; L14-F381 HydrophobicContact CB-CE2 4.47Å; L14-F381 HydrophobicContact CB-CZ 4.02Å; L14-F381 HydrophobicContact CD2-CD2 4.14Å; L14-F381 HydrophobicContact CD2-CE2 3.66Å; L14-F381 HydrophobicContact CD2-CZ 4Å; L270-F381 HydrophobicContact CD1-CZ 4.45Å; A358-F381 HydrophobicContact CB-CB 3.49Å; A358-F381 VanDerWaalsContact CB-CB 3.49Å; A358-F381 HydrophobicContact CB-CD1 3.86Å; A358-F381 HydrophobicContact CB-CD2 4.16Å; A358-F381 HydrophobicContact CB-CG 3.59Å; V377-F381 HydrophobicContact CG1-CD2 4.08Å; V377-F381 PolarHBondContact O-N 2.77Å; C379-F381 PolarHBondContact O-N 2.83Å; F381-H383 AromaticContact CD1-CE1 3.92Å; F381-H383 PolarHBondContact O-N 3.14Å; F381-T384 WeakPolarHBondContact O-CB 3.21Å; F381-T384 PolarHBondContact O-N 3.33Å; F381-I385 PolarHBondContact O-N 2.96Å |
| 382 | Q | 90.7 | Very high | 87.5 | Confident | 49 Ų | 49 | 36.4 Ų | 36.4 | 23% | 0.229 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -48.6 | -38.9 | -174.4 | 57.6 | 162.5 | 5 | 0 | 0 | 113.4 | V6 C378 T384 I385 T386 V421 | V6-Q382 HydrophobicContact CG1-CG 3.77Å; V6-Q382 HydrophobicContact CG2-CG 4.05Å; C378-Q382 WeakPolarHBondContact O-CA 3.34Å; C378-Q382 PolarHBondContact O-N 3.27Å; Q382-T384 PolarHBondContact O-N 3.1Å; Q382-I385 PolarHBondContact O-N 2.93Å; Q382-I385 VanDerWaalsContact O-N 3.17Å; Q382-T386 VanDerWaalsContact O-CG2 3.31Å; Q382-T386 WeakPolarHBondContact O-CG2 3.48Å; Q382-T386 PolarHBondContact O-N 2.95Å; Q382-T386 PolarHBondContact O-OG1 2.89Å; Q382-T386 VanDerWaalsContact O-OG1 3.05Å; Q382-V421 HydrophobicContact CB-CG2 3.67Å |
| 383 | H | 88.6 | Confident | 86.9 | Confident | 31 Ų | 31 | 35.1 Ų | 35.1 | 14% | 0.144 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.2 | -26.1 | 179.1 | 63.7 | -75.6 | 0 | 0 | 0 | 114.3 | V7 E9 H11 F381 T387 | V7-H383 PolarHBondContact O-CE1 3.29Å; E9-H383 VanDerWaalsContact CA-CD2 3.49Å; E9-H383 WeakPolarHBondContact CA-CD2 3.28Å; E9-H383 HydrophobicContact CG-CB 4.02Å; E9-H383 PolarHBondContact O-CD2 3.02Å; H11-H383 PolarHBondContact O-CE1 3.38Å; H11-H383 PolarHBondContact O-NE2 3.45Å; F381-H383 AromaticContact CD1-CE1 3.92Å; F381-H383 PolarHBondContact O-N 3.14Å; H383-T387 VanDerWaalsContact O-CG2 3.31Å; H383-T387 WeakPolarHBondContact O-CG2 3.49Å |
| 384 | T | 87.5 | Confident | 86.7 | Confident | 15 Ų | 15 | 34.2 Ų | 34.2 | 9% | 0.092 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -84.5 | -41.5 | 175.1 | -59.3 | 0 | 0 | 0 | 0 | 110.2 | A358 E359 F381 Q382 T387 A390 | A358-T384 HydrophobicContact CB-CG2 4.12Å; E359-T384 HydrophobicContact CG-CG2 4.39Å; F381-T384 WeakPolarHBondContact O-CB 3.21Å; F381-T384 PolarHBondContact O-N 3.33Å; Q382-T384 PolarHBondContact O-N 3.1Å; T384-T387 WeakPolarHBondContact O-CG2 3.4Å; T384-T387 PolarHBondContact O-N 3.25Å; T384-T387 PolarHBondContact O-OG1 3.32Å; T384-A390 VanDerWaalsContact O-CB 3.31Å; T384-A390 WeakPolarHBondContact O-CB 3.35Å |
| 385 | I | 89 | Confident | 86.4 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -70.5 | -35.1 | -177.1 | -53.5 | -57.3 | 0 | 0 | 0 | 112.2 | E359 V362 F381 Q382 T387 A390 I394 L399 V421 M425 | E359-I385 HydrophobicContact CB-CD1 4.4Å; V362-I385 HydrophobicContact CG2-CD1 4.17Å; F381-I385 PolarHBondContact O-N 2.96Å; Q382-I385 PolarHBondContact O-N 2.93Å; Q382-I385 VanDerWaalsContact O-N 3.17Å; I385-T387 PolarHBondContact O-N 3.07Å; I385-A390 WeakPolarHBondContact O-CB 3.48Å; I385-I394 HydrophobicContact CD1-CD1 3.87Å; I385-L399 HydrophobicContact CG2-CD1 4.34Å; I385-V421 HydrophobicContact CB-CG1 4.48Å; I385-V421 HydrophobicContact CG2-CG1 4.18Å; I385-M425 HydrophobicContact CG2-SD 3.86Å; I385-M425 WeakPolarHBondContact O-CE 3.34Å |
| 386 | T | 85.8 | Confident | 86.2 | Confident | 36 Ų | 36 | 39.3 Ų | 39.3 | 22% | 0.221 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -13.3 | 179.4 | 55.5 | 0 | 0 | 0 | 0 | 114.2 | Q382 V421 K424 M425 | Q382-T386 VanDerWaalsContact O-CG2 3.31Å; Q382-T386 WeakPolarHBondContact O-CG2 3.48Å; Q382-T386 PolarHBondContact O-N 2.95Å; Q382-T386 PolarHBondContact O-OG1 2.89Å; Q382-T386 VanDerWaalsContact O-OG1 3.05Å; T386-V421 HydrophobicContact CG2-CG1 4.39Å; T386-K424 HydrophobicContact CG2-CB 3.6Å; T386-M425 HydrophobicContact CG2-CG 4.11Å |
| 387 | T | 84.8 | Confident | 85.9 | Confident | 53 Ų | 53 | 44.3 Ų | 44.3 | 33% | 0.325 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -61.5 | 148.4 | -178.6 | 67 | 0 | 0 | 0 | 0 | 112.7 | H383 T384 I385 R389 A390 R391 | H383-T387 VanDerWaalsContact O-CG2 3.31Å; H383-T387 WeakPolarHBondContact O-CG2 3.49Å; T384-T387 WeakPolarHBondContact O-CG2 3.4Å; T384-T387 PolarHBondContact O-N 3.25Å; T384-T387 PolarHBondContact O-OG1 3.32Å; I385-T387 PolarHBondContact O-N 3.07Å; T387-R389 PolarHBondContact O-N 2.62Å; T387-R389 VanDerWaalsContact O-N 3.16Å; T387-A390 PolarHBondContact O-N 3.18Å; T387-A390 WeakPolarHBondContact OG1-CB 3.4Å; T387-A390 PolarHBondContact OG1-N 2.85Å; T387-R391 PolarHBondContact O-N 2.97Å |
| 388 | S | 75.1 | Confident | 85.8 | Confident | 100 Ų | 100 | 51.5 Ų | 51.5 | 70% | 0.699 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -23.7 | 174.1 | 54.8 | 0 | 0 | 0 | 0 | 113.6 | ||
| 389 | R | 79.3 | Confident | 85.6 | Confident | 83 Ų | 83 | 51.5 Ų | 51.5 | 31% | 0.313 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -48.7 | 174.5 | 176.6 | 173.9 | 160.4 | 172.6 | -2.3 | 111.8 | E359 T387 R391 K392 S474 | E359-R389 IonicContact OE1-NH2 3.48Å; T387-R389 PolarHBondContact O-N 2.62Å; T387-R389 VanDerWaalsContact O-N 3.16Å; R389-R391 PolarHBondContact O-N 2.82Å; R389-K392 WeakPolarHBondContact O-CB 3.49Å; R389-K392 PolarHBondContact O-N 2.91Å; R389-K392 VanDerWaalsContact O-N 3.07Å; R389-S474 PolarHBondContact NH1-OG 2.81Å; R389-S474 PolarHBondContact NH2-O 3.14Å; R389-S474 PolarHBondContact NH2-OG 2.99Å |
| 390 | A | 80.1 | Confident | 85.5 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -61.9 | -27.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | E359 T384 I385 T387 K392 S393 I394 | E359-A390 HydrophobicContact CB-CB 4.21Å; T384-A390 VanDerWaalsContact O-CB 3.31Å; T384-A390 WeakPolarHBondContact O-CB 3.35Å; I385-A390 WeakPolarHBondContact O-CB 3.48Å; T387-A390 PolarHBondContact O-N 3.18Å; T387-A390 WeakPolarHBondContact OG1-CB 3.4Å; T387-A390 PolarHBondContact OG1-N 2.85Å; A390-K392 PolarHBondContact O-N 2.65Å; A390-K392 VanDerWaalsContact O-N 3.1Å; A390-S393 PolarHBondContact O-N 2.71Å; A390-S393 PolarHBondContact O-OG 2.82Å; A390-I394 PolarHBondContact O-N 2.84Å |
| 391 | R | 79.4 | Confident | 85.4 | Confident | 93 Ų | 93 | 58.4 Ų | 58.4 | 35% | 0.351 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -55.8 | -24 | 173 | -63.3 | 175.1 | -165.4 | -133.3 | -4.5 | 114.2 | T387 R389 M425 | T387-R391 PolarHBondContact O-N 2.97Å; R389-R391 PolarHBondContact O-N 2.82Å; R391-M425 HydrophobicContact CG-CE 3.81Å; R391-M425 PolarHBondContact NH1-O 2.87Å; R391-M425 PolarHBondContact NH2-O 2.89Å |
| 392 | K | 80 | Confident | 85.4 | Confident | 192 Ų | 192 | 58.3 Ų | 58.3 | 84% | 0.835 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -76.7 | -31.1 | 175.9 | -66.9 | -170.9 | 177 | -174.2 | 0 | 113.3 | R389 A390 | R389-K392 WeakPolarHBondContact O-CB 3.49Å; R389-K392 PolarHBondContact O-N 2.91Å; R389-K392 VanDerWaalsContact O-N 3.07Å; A390-K392 PolarHBondContact O-N 2.65Å; A390-K392 VanDerWaalsContact O-N 3.1Å |
| 393 | S | 78.3 | Confident | 85.4 | Confident | 35 Ų | 35 | 57.8 Ų | 57.8 | 25% | 0.245 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -29.9 | 177.2 | 41.4 | 0 | 0 | 0 | 0 | 112.7 | A390 | A390-S393 PolarHBondContact O-N 2.71Å; A390-S393 PolarHBondContact O-OG 2.82Å |
| 394 | I | 87 | Confident | 85.3 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -133.7 | 89.3 | -179.6 | -47.2 | 165.1 | 0 | 0 | 0 | 108.7 | E359 V362 I385 A390 R398 L399 | E359-I394 HydrophobicContact CB-CD1 4.26Å; V362-I394 HydrophobicContact CB-CD1 3.83Å; V362-I394 HydrophobicContact CG1-CD1 3.75Å; V362-I394 HydrophobicContact CG1-CG1 4.48Å; I385-I394 HydrophobicContact CD1-CD1 3.87Å; A390-I394 PolarHBondContact O-N 2.84Å; I394-R398 HydrophobicContact CG2-CB 4.32Å; I394-L399 HydrophobicContact CG2-CD1 4.3Å; I394-L399 HydrophobicContact CG2-CD2 3.71Å; I394-L399 HydrophobicContact CG2-CG 3.74Å |
| 395 | P | 86.1 | Confident | 85.5 | Confident | 51 Ų | 51 | 63.6 Ų | 63.6 | 33% | 0.331 | 32% | 0.319 | S | S | . | . | trans | -62 | 157.4 | 168.8 | -23.3 | 34.9 | 0 | 0 | 0 | 112.1 | D397 R398 L399 | P395-D397 PolarHBondContact O-N 2.87Å; P395-R398 WeakPolarHBondContact O-CB 3.14Å; P395-R398 PolarHBondContact O-N 2.83Å; P395-L399 PolarHBondContact O-N 2.56Å | ||
| 396 | I | 87.3 | Confident | 85.4 | Confident | 56 Ų | 56 | 64.1 Ų | 64.1 | 29% | 0.287 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -57.5 | -39.3 | 178.1 | -65.9 | 173.7 | 0 | 0 | 0 | 110.8 | R398 L399 E400 I422 M425 | I396-R398 PolarHBondContact O-N 2.9Å; I396-R398 VanDerWaalsContact O-N 3.13Å; I396-L399 WeakPolarHBondContact O-CA 3.3Å; I396-L399 WeakPolarHBondContact O-CB 3.42Å; I396-L399 PolarHBondContact O-N 3.03Å; I396-E400 PolarHBondContact O-N 3.5Å; I396-I422 HydrophobicContact CG2-CG2 4.07Å; I396-M425 HydrophobicContact CD1-CB 4.35Å; I396-M425 HydrophobicContact CG1-CB 4.32Å |
| 397 | D | 86.6 | Confident | 85.2 | Confident | 127 Ų | 127 | 64.8 Ų | 64.8 | 68% | 0.679 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -56.7 | -31.2 | 176.8 | -37.9 | -53 | 0 | 0 | 0 | 113 | P395 H401 | P395-D397 PolarHBondContact O-N 2.87Å; D397-H401 WeakPolarHBondContact O-CB 3.3Å; D397-H401 PolarHBondContact O-N 3.29Å |
| 398 | R | 89.1 | Confident | 84.7 | Confident | 151 Ų | 151 | 66.8 Ų | 66.8 | 57% | 0.57 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -76.6 | -27.7 | 176 | -70.1 | -67.5 | -173.3 | 166.3 | -1.6 | 112.4 | I394 P395 I396 L402 | I394-R398 HydrophobicContact CG2-CB 4.32Å; P395-R398 WeakPolarHBondContact O-CB 3.14Å; P395-R398 PolarHBondContact O-N 2.83Å; I396-R398 PolarHBondContact O-N 2.9Å; I396-R398 VanDerWaalsContact O-N 3.13Å; R398-L402 WeakPolarHBondContact O-CB 3.44Å; R398-L402 PolarHBondContact O-N 3.32Å |
| 399 | L | 88.1 | Confident | 84.5 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -80.3 | -39.8 | 174.8 | -65.4 | 176 | 0 | 0 | 0 | 111.9 | I385 I394 P395 I396 L402 K403 L418 I422 M425 | I385-L399 HydrophobicContact CG2-CD1 4.34Å; I394-L399 HydrophobicContact CG2-CD1 4.3Å; I394-L399 HydrophobicContact CG2-CD2 3.71Å; I394-L399 HydrophobicContact CG2-CG 3.74Å; P395-L399 PolarHBondContact O-N 2.56Å; I396-L399 WeakPolarHBondContact O-CA 3.3Å; I396-L399 WeakPolarHBondContact O-CB 3.42Å; I396-L399 PolarHBondContact O-N 3.03Å; L399-L402 HydrophobicContact CD2-CD2 4.04Å; L399-L402 WeakPolarHBondContact O-CB 3.16Å; L399-L402 PolarHBondContact O-N 2.8Å; L399-K403 VanDerWaalsContact O-CB 3.23Å; L399-K403 WeakPolarHBondContact O-CB 3.34Å; L399-K403 PolarHBondContact O-N 2.8Å; L399-L418 HydrophobicContact CD2-CD1 4.34Å; L399-I422 HydrophobicContact CB-CD1 3.78Å; L399-I422 HydrophobicContact CB-CG1 3.72Å; L399-I422 HydrophobicContact CD1-CG1 4.14Å; L399-M425 HydrophobicContact CD1-CE 4Å; L399-M425 HydrophobicContact CD1-SD 3.37Å; L399-M425 WeakPolarHBondContact CD1-SD 3.46Å |
| 400 | E | 89.2 | Confident | 84.2 | Confident | 73 Ų | 73 | 66.5 Ų | 66.5 | 34% | 0.341 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.5 | -38 | 170.2 | -77.5 | -64.2 | 144.8 | 0 | 0 | 111.5 | I396 K403 S404 I422 | I396-E400 PolarHBondContact O-N 3.5Å; E400-K403 WeakPolarHBondContact O-CB 3.25Å; E400-K403 PolarHBondContact O-N 3.06Å; E400-K403 IonicContact OE1-NZ 2.71Å; E400-K403 PolarHBondContact OE1-NZ 3.33Å; E400-K403 WeakPolarHBondContact OE2-CD 3.3Å; E400-K403 WeakPolarHBondContact OE2-CE 3.47Å; E400-K403 IonicContact OE2-NZ 2.88Å; E400-K403 PolarHBondContact OE2-NZ 3.02Å; E400-S404 PolarHBondContact O-N 3.39Å; E400-I422 HydrophobicContact CG-CD1 4.27Å; E400-I422 WeakPolarHBondContact OE1-CD1 3.24Å |
| 401 | H | 90.4 | Very high | 84.2 | Confident | 79 Ų | 79 | 68.4 Ų | 68.4 | 37% | 0.366 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.1 | -50.2 | 170.1 | 179.3 | 64.8 | 0 | 0 | 0 | 111.6 | W371 D397 K403 S404 Q405 | W371-H401 AromaticContact CH2-NE2 3.73Å; D397-H401 WeakPolarHBondContact O-CB 3.3Å; D397-H401 PolarHBondContact O-N 3.29Å; H401-K403 VanDerWaalsContact C-N 3.29Å; H401-K403 PolarHBondContact O-N 2.68Å; H401-S404 WeakPolarHBondContact O-CB 3.25Å; H401-S404 PolarHBondContact O-N 2.66Å; H401-S404 PolarHBondContact O-OG 3.44Å; H401-Q405 WeakPolarHBondContact O-CG 3.36Å; H401-Q405 PolarHBondContact O-N 2.72Å |
| 402 | L | 90.4 | Very high | 84.4 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -50.4 | -49 | 174.1 | 165.3 | 62.5 | 0 | 0 | 0 | 112 | L366 W371 A374 A375 R398 L399 S404 Q405 L418 | L366-L402 HydrophobicContact CD2-CB 3.9Å; L366-L402 HydrophobicContact CD2-CD1 3.81Å; L366-L402 HydrophobicContact CD2-CD2 4.19Å; L366-L402 HydrophobicContact CD2-CG 4.18Å; W371-L402 HydrophobicContact CB-CD1 3.98Å; W371-L402 HydrophobicContact CE3-CD1 4Å; W371-L402 VanDerWaalsContact O-CD1 3.29Å; W371-L402 WeakPolarHBondContact O-CD1 3.32Å; A374-L402 HydrophobicContact CB-CD1 3.94Å; A374-L402 HydrophobicContact CB-CD2 4.37Å; A375-L402 HydrophobicContact CB-CD1 4.15Å; A375-L402 HydrophobicContact CB-CD2 4.14Å; A375-L402 HydrophobicContact CB-CG 4.27Å; R398-L402 WeakPolarHBondContact O-CB 3.44Å; R398-L402 PolarHBondContact O-N 3.32Å; L399-L402 HydrophobicContact CD2-CD2 4.04Å; L399-L402 WeakPolarHBondContact O-CB 3.16Å; L399-L402 PolarHBondContact O-N 2.8Å; L402-S404 PolarHBondContact O-N 3.45Å; L402-Q405 PolarHBondContact O-N 2.92Å; L402-Q405 VanDerWaalsContact O-N 3.12Å; L402-L418 HydrophobicContact CD2-CD1 4.32Å; L402-L418 HydrophobicContact CD2-CD2 3.98Å; L402-L418 HydrophobicContact CG-CD2 3.95Å |
| 403 | K | 90.5 | Very high | 84.6 | Confident | 38 Ų | 38 | 61.6 Ų | 61.6 | 17% | 0.165 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -58.3 | -42.6 | 176.5 | 175.5 | -178 | 157.3 | -162.2 | 0 | 112.3 | L399 E400 H401 Q405 L406 I415 L418 E419 I422 | L399-K403 VanDerWaalsContact O-CB 3.23Å; L399-K403 WeakPolarHBondContact O-CB 3.34Å; L399-K403 PolarHBondContact O-N 2.8Å; E400-K403 WeakPolarHBondContact O-CB 3.25Å; E400-K403 PolarHBondContact O-N 3.06Å; E400-K403 IonicContact OE1-NZ 2.71Å; E400-K403 PolarHBondContact OE1-NZ 3.33Å; E400-K403 WeakPolarHBondContact OE2-CD 3.3Å; E400-K403 WeakPolarHBondContact OE2-CE 3.47Å; E400-K403 IonicContact OE2-NZ 2.88Å; E400-K403 PolarHBondContact OE2-NZ 3.02Å; H401-K403 VanDerWaalsContact C-N 3.29Å; H401-K403 PolarHBondContact O-N 2.68Å; K403-Q405 PolarHBondContact O-N 2.64Å; K403-L406 WeakPolarHBondContact O-CB 3.44Å; K403-L406 PolarHBondContact O-N 2.95Å; K403-L406 VanDerWaalsContact O-N 3.13Å; K403-I415 HydrophobicContact CG-CG2 4.24Å; K403-L418 HydrophobicContact CB-CD2 3.81Å; K403-E419 HydrophobicContact CD-CG 3.9Å; K403-E419 VanDerWaalsContact CE-CG 3.45Å; K403-E419 WeakPolarHBondContact CE-OE1 3.49Å; K403-E419 IonicContact NZ-OE1 2.68Å; K403-E419 PolarHBondContact NZ-OE1 2.79Å; K403-I422 HydrophobicContact CD-CD1 4.11Å |
| 404 | S | 88.3 | Confident | 85 | Confident | 76 Ų | 76 | 60.4 Ų | 60.4 | 53% | 0.531 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.6 | -22.4 | 176 | 74.7 | 0 | 0 | 0 | 0 | 114.4 | E400 H401 L402 | E400-S404 PolarHBondContact O-N 3.39Å; H401-S404 WeakPolarHBondContact O-CB 3.25Å; H401-S404 PolarHBondContact O-N 2.66Å; H401-S404 PolarHBondContact O-OG 3.44Å; L402-S404 PolarHBondContact O-N 3.45Å |
| 405 | Q | 90.4 | Very high | 85.1 | Confident | 91 Ų | 91 | 61.5 Ų | 61.5 | 43% | 0.425 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -3.9 | 176 | -56.8 | -50.8 | -69.6 | 0 | 0 | 113.4 | W371 H401 L402 K403 | W371-Q405 HydrophobicContact CB-CB 4.25Å; W371-Q405 HydrophobicContact CD2-CB 3.72Å; W371-Q405 HydrophobicContact CD2-CG 3.94Å; W371-Q405 HydrophobicContact CE3-CB 4.27Å; W371-Q405 HydrophobicContact CE3-CG 4.22Å; W371-Q405 HydrophobicContact CG-CB 3.68Å; W371-Q405 HydrophobicContact CG-CG 4.41Å; W371-Q405 HydrophobicContact CH2-CG 4.4Å; W371-Q405 HydrophobicContact CZ2-CG 4.12Å; W371-Q405 HydrophobicContact CZ3-CG 4.44Å; H401-Q405 WeakPolarHBondContact O-CG 3.36Å; H401-Q405 PolarHBondContact O-N 2.72Å; L402-Q405 PolarHBondContact O-N 2.92Å; L402-Q405 VanDerWaalsContact O-N 3.12Å; K403-Q405 PolarHBondContact O-N 2.64Å |
| 406 | L | 87.4 | Confident | 85.3 | Confident | 12 Ų | 12 | 62.8 Ų | 62.8 | 6% | 0.063 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -83.3 | 145.1 | 177.7 | -64.8 | 178.3 | 0 | 0 | 0 | 112.1 | W371 T372 A375 K403 S408 L414 I415 L418 | W371-L406 HydrophobicContact CB-CD2 4.24Å; T372-L406 HydrophobicContact CG2-CD2 4.45Å; A375-L406 HydrophobicContact CB-CD1 3.84Å; A375-L406 HydrophobicContact CB-CD2 4.2Å; K403-L406 WeakPolarHBondContact O-CB 3.44Å; K403-L406 PolarHBondContact O-N 2.95Å; K403-L406 VanDerWaalsContact O-N 3.13Å; L406-S408 PolarHBondContact O-N 3.41Å; L406-S408 VanDerWaalsContact O-N 3.09Å; L406-L414 HydrophobicContact CD1-CD2 4.18Å; L406-L414 HydrophobicContact CD1-CG 4.13Å; L406-L414 HydrophobicContact CD2-CD2 4.24Å; L406-I415 HydrophobicContact CB-CD1 3.92Å; L406-I415 HydrophobicContact CB-CG1 3.77Å; L406-I415 HydrophobicContact CD1-CG1 3.75Å; L406-I415 HydrophobicContact CG-CG1 4.43Å; L406-L418 HydrophobicContact CD1-CD2 4.06Å |
| 407 | S | 82.6 | Confident | 85.4 | Confident | 49 Ų | 49 | 61.2 Ų | 61.2 | 34% | 0.343 | 34% | 0.34 | S | S | . | . | trans | -76.2 | 100.6 | -176.7 | 57.1 | 0 | 0 | 0 | 0 | 112.1 | S409 A410 Q411 | S407-S409 PolarHBondContact O-N 3.4Å; S407-A410 PolarHBondContact O-N 2.92Å; S407-Q411 VanDerWaalsContact N-OE1 3.12Å; S407-Q411 PolarHBondContact O-N 2.92Å; S407-Q411 VanDerWaalsContact OG-CD 3.24Å; S407-Q411 PolarHBondContact OG-OE1 3.34Å | ||
| 408 | S | 74.1 | Confident | 85.6 | Confident | 95 Ų | 95 | 55.2 Ų | 55.2 | 66% | 0.664 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -20.1 | -174.7 | 60.2 | 0 | 0 | 0 | 0 | 115.5 | L406 T412 | L406-S408 PolarHBondContact O-N 3.41Å; L406-S408 VanDerWaalsContact O-N 3.09Å; S408-T412 WeakPolarHBondContact O-CG2 3.3Å |
| 409 | S | 69.9 | Low | 85.6 | Confident | 114 Ų | 114 | 51.6 Ų | 51.6 | 80% | 0.797 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -20.7 | 177.1 | 56.7 | 0 | 0 | 0 | 0 | 115 | S407 | S407-S409 PolarHBondContact O-N 3.4Š|
| 410 | A | 72.9 | Confident | 85.7 | Confident | 64 Ų | 64 | 56.9 Ų | 56.9 | 53% | 0.529 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.5 | -19.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | S407 | S407-A410 PolarHBondContact O-N 2.92Š|
| 411 | Q | 81.1 | Confident | 85.7 | Confident | 40 Ų | 40 | 53.5 Ų | 53.5 | 19% | 0.187 | 31% | 0.306 | C | S | . | . | trans | -124.8 | 21.9 | -169.6 | -70.8 | 168.9 | -29.2 | 0 | 0 | 113.5 | S407 E413 L414 I415 | S407-Q411 VanDerWaalsContact N-OE1 3.12Å; S407-Q411 PolarHBondContact O-N 2.92Å; S407-Q411 VanDerWaalsContact OG-CD 3.24Å; S407-Q411 PolarHBondContact OG-OE1 3.34Å; Q411-E413 VanDerWaalsContact C-N 3.29Å; Q411-E413 PolarHBondContact O-N 2.88Å; Q411-L414 HydrophobicContact CB-CB 4.42Å; Q411-L414 WeakPolarHBondContact O-CB 3.46Å; Q411-L414 PolarHBondContact O-N 2.91Å; Q411-I415 WeakPolarHBondContact O-CG1 3.22Å; Q411-I415 PolarHBondContact O-N 3.48Å | ||
| 412 | T | 83.4 | Confident | 85.6 | Confident | 78 Ų | 78 | 50.1 Ų | 50.1 | 48% | 0.479 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -43.7 | -50.8 | 176 | 49.6 | 0 | 0 | 0 | 0 | 113.3 | S408 L414 I415 N416 | S408-T412 WeakPolarHBondContact O-CG2 3.3Å; T412-L414 VanDerWaalsContact C-N 3.3Å; T412-L414 PolarHBondContact O-N 3.17Å; T412-I415 WeakPolarHBondContact O-CB 3.33Å; T412-I415 PolarHBondContact O-N 3.04Å; T412-I415 VanDerWaalsContact O-N 3.12Å; T412-N416 PolarHBondContact O-N 3.33Å; T412-N416 PolarHBondContact O-ND2 3.09Å; T412-N416 PolarHBondContact O-OD1 2.81Å |
| 413 | E | 84.4 | Confident | 85.5 | Confident | 63 Ų | 63 | 55.4 Ų | 55.4 | 29% | 0.294 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.5 | -33.4 | -178.1 | -170.3 | 52.2 | -139.6 | 0 | 0 | 113.5 | Q411 Q417 | Q411-E413 VanDerWaalsContact C-N 3.29Å; Q411-E413 PolarHBondContact O-N 2.88Å; E413-Q417 WeakPolarHBondContact O-CG 3.22Å; E413-Q417 PolarHBondContact O-N 3.29Å; E413-Q417 PolarHBondContact O-NE2 2.89Å; E413-Q417 PolarHBondContact OE1-NE2 2.96Å |
| 414 | L | 86.9 | Confident | 85.2 | Confident | 10 Ų | 10 | 57.8 Ų | 57.8 | 5% | 0.052 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -74.9 | -36.2 | 174.9 | 173.6 | 64.9 | 0 | 0 | 0 | 111.3 | I4 A375 L406 Q411 T412 L418 | I4-L414 HydrophobicContact CD1-CD1 3.52Å; A375-L414 HydrophobicContact CB-CD1 3.94Å; A375-L414 HydrophobicContact CB-CD2 4Å; A375-L414 HydrophobicContact CB-CG 4.05Å; L406-L414 HydrophobicContact CD1-CD2 4.18Å; L406-L414 HydrophobicContact CD1-CG 4.13Å; L406-L414 HydrophobicContact CD2-CD2 4.24Å; Q411-L414 HydrophobicContact CB-CB 4.42Å; Q411-L414 WeakPolarHBondContact O-CB 3.46Å; Q411-L414 PolarHBondContact O-N 2.91Å; T412-L414 VanDerWaalsContact C-N 3.3Å; T412-L414 PolarHBondContact O-N 3.17Å; L414-L418 WeakPolarHBondContact O-CB 3.25Å; L414-L418 PolarHBondContact O-N 2.9Å |
| 415 | I | 88.6 | Confident | 84.7 | Confident | 25 Ų | 25 | 54.2 Ų | 54.2 | 13% | 0.128 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.9 | -47.4 | 174.5 | -68.5 | 163 | 0 | 0 | 0 | 109.9 | K403 L406 Q411 T412 Q417 L418 E419 | K403-I415 HydrophobicContact CG-CG2 4.24Å; L406-I415 HydrophobicContact CB-CD1 3.92Å; L406-I415 HydrophobicContact CB-CG1 3.77Å; L406-I415 HydrophobicContact CD1-CG1 3.75Å; L406-I415 HydrophobicContact CG-CG1 4.43Å; Q411-I415 WeakPolarHBondContact O-CG1 3.22Å; Q411-I415 PolarHBondContact O-N 3.48Å; T412-I415 WeakPolarHBondContact O-CB 3.33Å; T412-I415 PolarHBondContact O-N 3.04Å; T412-I415 VanDerWaalsContact O-N 3.12Å; I415-Q417 PolarHBondContact O-N 2.75Å; I415-L418 PolarHBondContact O-N 3.39Å; I415-L418 VanDerWaalsContact O-N 3.16Å; I415-E419 WeakPolarHBondContact O-CG 3.42Å; I415-E419 PolarHBondContact O-N 2.67Å |
| 416 | N | 88.9 | Confident | 83.6 | Confident | 77 Ų | 77 | 55.1 Ų | 55.1 | 41% | 0.412 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -57.4 | -44.9 | 177.7 | -61.7 | -13 | 0 | 0 | 0 | 112.2 | T412 E419 E420 | T412-N416 PolarHBondContact O-N 3.33Å; T412-N416 PolarHBondContact O-ND2 3.09Å; T412-N416 PolarHBondContact O-OD1 2.81Å; N416-E419 PolarHBondContact O-N 3.31Å; N416-E420 PolarHBondContact O-N 3.42Å |
| 417 | Q | 90.1 | Very high | 82.2 | Confident | 24 Ų | 24 | 58.8 Ų | 58.8 | 11% | 0.112 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -69.3 | -34.5 | 178.3 | -71.9 | 162 | 34.4 | 0 | 0 | 112.1 | C379 E413 I415 E420 V421 | C379-Q417 HydrophobicContact CB-CB 4.34Å; E413-Q417 WeakPolarHBondContact O-CG 3.22Å; E413-Q417 PolarHBondContact O-N 3.29Å; E413-Q417 PolarHBondContact O-NE2 2.89Å; E413-Q417 PolarHBondContact OE1-NE2 2.96Å; I415-Q417 PolarHBondContact O-N 2.75Å; Q417-E420 PolarHBondContact O-N 3.3Å; Q417-V421 WeakPolarHBondContact O-CG2 3.43Å; Q417-V421 PolarHBondContact O-N 2.95Å; Q417-V421 VanDerWaalsContact O-N 3.14Å |
| 418 | L | 90.6 | Very high | 80.3 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -68.2 | -38.2 | 173.3 | -175.5 | 60.9 | 0 | 0 | 0 | 111.7 | A375 C378 L399 L402 K403 L406 L414 I415 V421 I422 | A375-L418 HydrophobicContact CB-CD2 4.1Å; C378-L418 HydrophobicContact CB-CD1 3.93Å; L399-L418 HydrophobicContact CD2-CD1 4.34Å; L402-L418 HydrophobicContact CD2-CD1 4.32Å; L402-L418 HydrophobicContact CD2-CD2 3.98Å; L402-L418 HydrophobicContact CG-CD2 3.95Å; K403-L418 HydrophobicContact CB-CD2 3.81Å; L406-L418 HydrophobicContact CD1-CD2 4.06Å; L414-L418 WeakPolarHBondContact O-CB 3.25Å; L414-L418 PolarHBondContact O-N 2.9Å; I415-L418 PolarHBondContact O-N 3.39Å; I415-L418 VanDerWaalsContact O-N 3.16Å; L418-V421 PolarHBondContact O-N 3.05Å; L418-V421 VanDerWaalsContact O-N 3.16Å; L418-I422 HydrophobicContact CG-CD1 4.18Å; L418-I422 VanDerWaalsContact O-CG1 3.32Å; L418-I422 WeakPolarHBondContact O-CG1 3.39Å; L418-I422 PolarHBondContact O-N 3.2Å |
| 419 | E | 90.6 | Very high | 78.6 | Confident | 76 Ų | 76 | 67.7 Ų | 67.7 | 36% | 0.355 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.3 | -43.7 | 171.1 | -74.2 | -171.8 | 148.6 | 0 | 0 | 111.7 | K403 I415 N416 V421 I422 L423 | K403-E419 HydrophobicContact CD-CG 3.9Å; K403-E419 VanDerWaalsContact CE-CG 3.45Å; K403-E419 WeakPolarHBondContact CE-OE1 3.49Å; K403-E419 IonicContact NZ-OE1 2.68Å; K403-E419 PolarHBondContact NZ-OE1 2.79Å; I415-E419 WeakPolarHBondContact O-CG 3.42Å; I415-E419 PolarHBondContact O-N 2.67Å; N416-E419 PolarHBondContact O-N 3.31Å; E419-V421 VanDerWaalsContact C-N 3.28Å; E419-V421 PolarHBondContact O-N 3.38Å; E419-I422 PolarHBondContact O-N 2.82Å; E419-L423 WeakPolarHBondContact O-CB 3.12Å; E419-L423 VanDerWaalsContact O-CG 3.32Å; E419-L423 WeakPolarHBondContact O-CG 3.29Å; E419-L423 PolarHBondContact O-N 3.1Å |
| 420 | E | 89.1 | Confident | 76.9 | Confident | 111 Ų | 111 | 67.6 Ų | 67.6 | 52% | 0.519 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -58.5 | -38.4 | 172.5 | -81.3 | -159.5 | -162.8 | 0 | 0 | 112.9 | N416 Q417 K424 | N416-E420 PolarHBondContact O-N 3.42Å; Q417-E420 PolarHBondContact O-N 3.3Å; E420-K424 WeakPolarHBondContact O-CB 3.36Å; E420-K424 WeakPolarHBondContact O-CD 3.43Å; E420-K424 WeakPolarHBondContact O-CE 3.33Å; E420-K424 WeakPolarHBondContact O-CG 3.45Å; E420-K424 PolarHBondContact O-N 2.66Å; E420-K424 IonicContact OE2-NZ 3.74Å; E420-K424 PolarHBondContact OE2-NZ 2.94Å |
| 421 | V | 88.7 | Confident | 74.9 | Confident | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.006 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -68.7 | -39 | 177.4 | 175.1 | 0 | 0 | 0 | 0 | 111.1 | Q382 I385 T386 Q417 L418 E419 K424 M425 | Q382-V421 HydrophobicContact CB-CG2 3.67Å; I385-V421 HydrophobicContact CB-CG1 4.48Å; I385-V421 HydrophobicContact CG2-CG1 4.18Å; T386-V421 HydrophobicContact CG2-CG1 4.39Å; Q417-V421 WeakPolarHBondContact O-CG2 3.43Å; Q417-V421 PolarHBondContact O-N 2.95Å; Q417-V421 VanDerWaalsContact O-N 3.14Å; L418-V421 PolarHBondContact O-N 3.05Å; L418-V421 VanDerWaalsContact O-N 3.16Å; E419-V421 VanDerWaalsContact C-N 3.28Å; E419-V421 PolarHBondContact O-N 3.38Å; V421-K424 PolarHBondContact O-N 3.08Å; V421-M425 WeakPolarHBondContact O-CG 3.37Å; V421-M425 PolarHBondContact O-N 2.67Å; V421-M425 VanDerWaalsContact O-N 3.17Å |
| 422 | I | 89.9 | Confident | 72.6 | Confident | 9 Ų | 9 | 73.2 Ų | 73.2 | 5% | 0.046 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -65.5 | -44.9 | 175.7 | -67.3 | 166.3 | 0 | 0 | 0 | 110.7 | I396 L399 E400 K403 L418 E419 K424 M425 E426 | I396-I422 HydrophobicContact CG2-CG2 4.07Å; L399-I422 HydrophobicContact CB-CD1 3.78Å; L399-I422 HydrophobicContact CB-CG1 3.72Å; L399-I422 HydrophobicContact CD1-CG1 4.14Å; E400-I422 HydrophobicContact CG-CD1 4.27Å; E400-I422 WeakPolarHBondContact OE1-CD1 3.24Å; K403-I422 HydrophobicContact CD-CD1 4.11Å; L418-I422 HydrophobicContact CG-CD1 4.18Å; L418-I422 VanDerWaalsContact O-CG1 3.32Å; L418-I422 WeakPolarHBondContact O-CG1 3.39Å; L418-I422 PolarHBondContact O-N 3.2Å; E419-I422 PolarHBondContact O-N 2.82Å; I422-K424 VanDerWaalsContact C-N 3.26Å; I422-K424 PolarHBondContact O-N 2.87Å; I422-M425 CarbonylContact O-C 3.39Å; I422-M425 WeakPolarHBondContact O-CA 3.24Å; I422-M425 WeakPolarHBondContact O-CB 3.31Å; I422-M425 PolarHBondContact O-N 2.85Å; I422-E426 PolarHBondContact O-N 3.22Å |
| 423 | L | 87.1 | Confident | 70.1 | Confident | 110 Ų | 110 | 74.8 Ų | 74.8 | 58% | 0.576 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -62.8 | -30.3 | 175.2 | -70.7 | 167.8 | 0 | 0 | 0 | 112.8 | E419 M425 | E419-L423 WeakPolarHBondContact O-CB 3.12Å; E419-L423 VanDerWaalsContact O-CG 3.32Å; E419-L423 WeakPolarHBondContact O-CG 3.29Å; E419-L423 PolarHBondContact O-N 3.1Å; L423-M425 VanDerWaalsContact C-N 3.27Å |
| 424 | K | 84.4 | Confident | 67.9 | Low | 89 Ų | 89 | 77.3 Ų | 77.3 | 39% | 0.387 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -12.8 | 171.1 | -67.2 | 157.7 | -164.8 | 156 | 0 | 113 | T386 E420 V421 I422 | T386-K424 HydrophobicContact CG2-CB 3.6Å; E420-K424 WeakPolarHBondContact O-CB 3.36Å; E420-K424 WeakPolarHBondContact O-CD 3.43Å; E420-K424 WeakPolarHBondContact O-CE 3.33Å; E420-K424 WeakPolarHBondContact O-CG 3.45Å; E420-K424 PolarHBondContact O-N 2.66Å; E420-K424 IonicContact OE2-NZ 3.74Å; E420-K424 PolarHBondContact OE2-NZ 2.94Å; V421-K424 PolarHBondContact O-N 3.08Å; I422-K424 VanDerWaalsContact C-N 3.26Å; I422-K424 PolarHBondContact O-N 2.87Å |
| 425 | M | 77.3 | Confident | 65.4 | Low | 0 Ų | 0 | 88 Ų | 88 | 0% | 0 | 49% | 0.491 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -29.1 | 172.1 | -72.5 | 176.9 | 75.6 | 0 | 0 | 112.7 | I385 T386 R391 I396 L399 V421 I422 L423 | I385-M425 HydrophobicContact CG2-SD 3.86Å; I385-M425 WeakPolarHBondContact O-CE 3.34Å; T386-M425 HydrophobicContact CG2-CG 4.11Å; R391-M425 HydrophobicContact CG-CE 3.81Å; R391-M425 PolarHBondContact NH1-O 2.87Å; R391-M425 PolarHBondContact NH2-O 2.89Å; I396-M425 HydrophobicContact CD1-CB 4.35Å; I396-M425 HydrophobicContact CG1-CB 4.32Å; L399-M425 HydrophobicContact CD1-CE 4Å; L399-M425 HydrophobicContact CD1-SD 3.37Å; L399-M425 WeakPolarHBondContact CD1-SD 3.46Å; V421-M425 WeakPolarHBondContact O-CG 3.37Å; V421-M425 PolarHBondContact O-N 2.67Å; V421-M425 VanDerWaalsContact O-N 3.17Å; I422-M425 CarbonylContact O-C 3.39Å; I422-M425 WeakPolarHBondContact O-CA 3.24Å; I422-M425 WeakPolarHBondContact O-CB 3.31Å; I422-M425 PolarHBondContact O-N 2.85Å; L423-M425 VanDerWaalsContact C-N 3.27Å |
| 426 | E | 68.1 | Low | 62.8 | Low | 110 Ų | 110 | 98.1 Ų | 98.1 | 51% | 0.514 | 53% | 0.528 | S | S | . | . | S | Bend | trans | -59.5 | 139.2 | 173.9 | -161.9 | 159.4 | -135.3 | 0 | 0 | 110.7 | I422 L428 | I422-E426 PolarHBondContact O-N 3.22Å; E426-L428 PolarHBondContact O-N 3.19Å |
| 427 | P | 58.2 | Low | 60 | Low | 90 Ų | 90 | 99.5 Ų | 99.5 | 58% | 0.584 | 54% | 0.543 | S | S | * | . | trans | -64.9 | 129.2 | 171.3 | -15.8 | 30.4 | 0 | 0 | 0 | 109.3 | D429 | P427-D429 PolarHBondContact O-N 2.83Š| ||
| 428 | L | 42.2 | Very low | 57.1 | Low | 167 Ų | 167 | 103.9 Ų | 103.9 | 87% | 0.874 | 58% | 0.577 | S | S | * | * | trans | -63 | 104.7 | 169.6 | -81.1 | 167.8 | 0 | 0 | 0 | 109 | E426 S430 | E426-L428 PolarHBondContact O-N 3.19Å; L428-S430 PolarHBondContact O-N 2.86Å | ||
| 429 | D | 37.8 | Very low | 54.6 | Low | 163 Ų | 163 | 112.1 Ų | 112.1 | 87% | 0.872 | 62% | 0.619 | S | S | * | * | trans | -70 | 97.6 | -168.6 | -136 | -6.9 | 0 | 0 | 0 | 110.6 | P427 | P427-D429 PolarHBondContact O-N 2.83Š| ||
| 430 | S | 35.7 | Very low | 51.6 | Low | 112 Ų | 112 | 112.4 Ų | 112.4 | 78% | 0.783 | 63% | 0.63 | S | S | * | * | trans | -160.3 | 101.8 | -174.3 | -79.6 | 0 | 0 | 0 | 0 | 108.8 | L428 | L428-S430 PolarHBondContact O-N 2.86Š| ||
| 431 | A | 29.6 | Very low | 49.3 | Very low | 95 Ų | 95 | 112.7 Ų | 112.7 | 79% | 0.785 | 64% | 0.644 | S | S | * | * | cis | -145.3 | 161.4 | 9.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | S433 | A431-S433 PolarHBondContact O-N 2.84Š| ||
| 432 | S | 33.9 | Very low | 46.5 | Very low | 128 Ų | 128 | 119.4 Ų | 119.4 | 90% | 0.895 | 68% | 0.675 | S | S | * | * | trans | -61 | 127.9 | 179.7 | -38.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 433 | S | 29.9 | Very low | 43.7 | Very low | 111 Ų | 111 | 124.2 Ų | 124.2 | 78% | 0.776 | 70% | 0.697 | S | S | * | * | trans | -149.8 | 90 | 162.6 | -170.9 | 0 | 0 | 0 | 0 | 111.5 | A431 R435 | A431-S433 PolarHBondContact O-N 2.84Å; S433-R435 PolarHBondContact O-N 2.97Å | ||
| 434 | S | 38.5 | Very low | 41 | Very low | 115 Ų | 115 | 124.6 Ų | 124.6 | 80% | 0.804 | 71% | 0.709 | S | S | * | * | trans | -82 | 103.2 | 171.1 | 47.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 435 | R | 33.4 | Very low | 38.7 | Very low | 236 Ų | 236 | 126.3 Ų | 126.3 | 89% | 0.891 | 72% | 0.716 | S | S | * | * | trans | -153.7 | 153.3 | 163.1 | -107.5 | 150.5 | -151.4 | -133.9 | 4.2 | 112.2 | S433 | S433-R435 PolarHBondContact O-N 2.97Š| ||
| 436 | R | 34.8 | Very low | 36.9 | Very low | 236 Ų | 236 | 133 Ų | 133 | 89% | 0.891 | 75% | 0.752 | S | S | * | * | trans | -63.6 | 143.4 | -171.5 | -86.8 | 179.5 | 160.2 | -155.6 | -2.8 | 113.6 | ||||
| 437 | S | 30.1 | Very low | 35.5 | Very low | 106 Ų | 106 | 132.8 Ų | 132.8 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | trans | 71.8 | 150 | 139.9 | 61.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 438 | S | 28.6 | Very low | 34.9 | Very low | 116 Ų | 116 | 133.9 Ų | 133.9 | 81% | 0.811 | 76% | 0.759 | S | S | * | * | trans | 96.1 | 133 | 158.5 | -56.5 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 439 | I | 38.6 | Very low | 34.9 | Very low | 174 Ų | 174 | 134.6 Ų | 134.6 | 89% | 0.892 | 76% | 0.763 | S | S | * | * | trans | -69.3 | 133.2 | 176.7 | -169.3 | 169.6 | 0 | 0 | 0 | 110.4 | ||||
| 440 | S | 28.5 | Very low | 35.2 | Very low | 82 Ų | 82 | 131.3 Ų | 131.3 | 57% | 0.573 | 75% | 0.752 | S | S | * | * | trans | -151 | 117.4 | 166.6 | -173.9 | 0 | 0 | 0 | 0 | 109.9 | H442 | S440-H442 PolarHBondContact OG-CD2 2.83Å; S440-H442 VanDerWaalsContact OG-CD2 3.25Å; S440-H442 PolarHBondContact OG-NE2 3.29Å; S440-H442 VanDerWaalsContact OG-NE2 3.15Å | ||
| 441 | S | 39.9 | Very low | 35.6 | Very low | 116 Ų | 116 | 128.9 Ų | 128.9 | 81% | 0.811 | 74% | 0.744 | S | S | * | * | trans | -73.1 | 122.3 | 160.9 | 50.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 442 | H | 30.3 | Very low | 36.1 | Very low | 142 Ų | 142 | 130.3 Ų | 130.3 | 66% | 0.657 | 74% | 0.738 | S | S | * | * | trans | -107.5 | 116.2 | 171.7 | -94.1 | -67.8 | 0 | 0 | 0 | 112.7 | S440 F445 | S440-H442 PolarHBondContact OG-CD2 2.83Å; S440-H442 VanDerWaalsContact OG-CD2 3.25Å; S440-H442 PolarHBondContact OG-NE2 3.29Å; S440-H442 VanDerWaalsContact OG-NE2 3.15Å; H442-F445 AromaticContact CE1-CE2 3.92Å; H442-F445 AromaticContact ND1-CE2 3.43Å; H442-F445 WeakPolarHBondContact ND1-CE2 3.43Å; H442-F445 AromaticContact ND1-CZ 3.86Å | ||
| 443 | E | 30.9 | Very low | 36.5 | Very low | 111 Ų | 111 | 133.5 Ų | 133.5 | 52% | 0.519 | 73% | 0.732 | S | S | . | * | P | Polyproline II helix | trans | -55.7 | 148.4 | 156.9 | -62.1 | 174.7 | 115.3 | 0 | 0 | 109.9 | F445 | E443-F445 PolarHBondContact O-N 3.46Š|
| 444 | S | 30.9 | Very low | 36.8 | Very low | 118 Ų | 118 | 137 Ų | 137 | 83% | 0.825 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 116.2 | 180 | 46.3 | 0 | 0 | 0 | 0 | 112.2 | ||
| 445 | F | 35.3 | Very low | 36.6 | Very low | 124 Ų | 124 | 136.5 Ų | 136.5 | 54% | 0.544 | 72% | 0.719 | S | S | . | * | P | Polyproline II helix | trans | -84.1 | 132.5 | 168.5 | -58.2 | -71.3 | 0 | 0 | 0 | 110.8 | H442 E443 | H442-F445 AromaticContact CE1-CE2 3.92Å; H442-F445 AromaticContact ND1-CE2 3.43Å; H442-F445 WeakPolarHBondContact ND1-CE2 3.43Å; H442-F445 AromaticContact ND1-CZ 3.86Å; E443-F445 PolarHBondContact O-N 3.46Å |
| 446 | N | 38.9 | Very low | 36.8 | Very low | 140 Ų | 140 | 130 Ų | 130 | 75% | 0.749 | 70% | 0.701 | S | S | * | * | trans | -109.2 | 132.6 | 161.5 | -83.6 | -3.6 | 0 | 0 | 0 | 109.3 | ||||
| 447 | V | 39.4 | Very low | 36.8 | Very low | 107 Ų | 107 | 123 Ų | 123 | 65% | 0.648 | 69% | 0.689 | S | S | * | * | trans | -93.5 | 145.3 | 173 | -179.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 448 | L | 46.5 | Very low | 36.9 | Very low | 113 Ų | 113 | 129 Ų | 129 | 59% | 0.592 | 70% | 0.695 | S | S | * | * | trans | -118.6 | 147.2 | 168.9 | -66.1 | 174 | 0 | 0 | 0 | 109 | C450 G451 | L448-C450 PolarHBondContact O-N 2.83Å; L448-G451 PolarHBondContact O-N 3.12Å | ||
| 449 | D | 41.4 | Very low | 37.2 | Very low | 181 Ų | 181 | 135 Ų | 135 | 97% | 0.968 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | 0 | -169.2 | -58.9 | -44.8 | 0 | 0 | 0 | 115.6 | ||
| 450 | C | 44.9 | Very low | 37.1 | Very low | 95 Ų | 95 | 130.3 Ų | 130.3 | 64% | 0.642 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | 0.2 | 171.3 | 63.3 | 0 | 0 | 0 | 0 | 114.4 | L448 I452 | L448-C450 PolarHBondContact O-N 2.83Å; C450-I452 PolarHBondContact O-N 3.47Å |
| 451 | G | 42.1 | Very low | 37.1 | Very low | 60 Ų | 60 | 132 Ų | 132 | 62% | 0.619 | 71% | 0.706 | S | S | * | * | trans | 75.8 | 18.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | L448 | L448-G451 PolarHBondContact O-N 3.12Š| ||
| 452 | I | 41.9 | Very low | 37.1 | Very low | 125 Ų | 125 | 136.1 Ų | 136.1 | 64% | 0.641 | 71% | 0.712 | S | S | * | * | trans | -110.2 | 125.9 | 178 | -61.1 | 175.6 | 0 | 0 | 0 | 110.1 | C450 | C450-I452 PolarHBondContact O-N 3.47Š| ||
| 453 | Y | 41.5 | Very low | 37 | Very low | 196 Ų | 196 | 134.6 Ų | 134.6 | 77% | 0.769 | 72% | 0.717 | S | S | * | * | trans | -78.3 | 126.9 | 178.3 | -58.2 | -88 | 0 | 0 | 0 | 111.4 | ||||
| 454 | R | 35.2 | Very low | 37.3 | Very low | 185 Ų | 185 | 137 Ų | 137 | 70% | 0.698 | 73% | 0.734 | S | S | * | * | trans | -116.4 | 106.7 | 174.5 | -174 | -178.6 | 179.1 | -175.9 | -0.1 | 110.5 | I456 | R454-I456 HydrophobicContact CG-CD1 4.4Å; R454-I456 HydrophobicContact CG-CG1 3.98Å | ||
| 455 | V | 36 | Very low | 37.1 | Very low | 103 Ų | 103 | 140.7 Ų | 140.7 | 62% | 0.624 | 74% | 0.738 | S | S | * | * | trans | -73.5 | 132.3 | 169 | -176.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 456 | I | 37.3 | Very low | 36.8 | Very low | 100 Ų | 100 | 143.6 Ų | 143.6 | 51% | 0.513 | 75% | 0.754 | S | S | . | * | trans | -128.1 | 88.3 | 179.8 | -53.3 | 179.8 | 0 | 0 | 0 | 109.3 | R454 R458 | R454-I456 HydrophobicContact CG-CD1 4.4Å; R454-I456 HydrophobicContact CG-CG1 3.98Å; I456-R458 HydrophobicContact CG2-CG 4.44Å; I456-R458 PolarHBondContact O-N 3.04Å | ||
| 457 | S | 33.7 | Very low | 36.1 | Very low | 90 Ų | 90 | 143.3 Ų | 143.3 | 63% | 0.629 | 76% | 0.757 | S | S | * | * | trans | -70.3 | 121.7 | 171.2 | -169.8 | 0 | 0 | 0 | 0 | 110 | R459 | S457-R459 PolarHBondContact O-N 3.25Š| ||
| 458 | R | 33.8 | Very low | 35.4 | Very low | 231 Ų | 231 | 143.4 Ų | 143.4 | 87% | 0.872 | 76% | 0.762 | S | S | * | * | trans | -94.5 | 75.6 | -178.4 | -72 | -170.3 | 176 | -162 | -0.8 | 112.4 | I456 | I456-R458 HydrophobicContact CG2-CG 4.44Å; I456-R458 PolarHBondContact O-N 3.04Å | ||
| 459 | R | 33.5 | Very low | 34.4 | Very low | 243 Ų | 243 | 143.6 Ų | 143.6 | 92% | 0.917 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -119.7 | 108.4 | 153.7 | -86.4 | -168.3 | 173 | -162.3 | -1.3 | 109.7 | S457 | S457-R459 PolarHBondContact O-N 3.25Š|
| 460 | G | 37.6 | Very low | 33.6 | Very low | 74 Ų | 74 | 142.5 Ų | 142.5 | 76% | 0.763 | 77% | 0.766 | S | S | * | * | S | Bend | trans | 87.6 | 86.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 461 | S | 28.1 | Very low | 32.6 | Very low | 118 Ų | 118 | 142.7 Ų | 142.7 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | trans | -157 | 125 | 150 | -80.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 462 | Q | 39.1 | Very low | 32 | Very low | 203 Ų | 203 | 144.1 Ų | 144.1 | 95% | 0.949 | 75% | 0.753 | S | S | * | * | trans | -88.1 | 135.7 | 155.5 | -69.6 | 175.5 | -49.6 | 0 | 0 | 107.5 | ||||
| 463 | S | 28.2 | Very low | 31.3 | Very low | 109 Ų | 109 | 145.5 Ų | 145.5 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | trans | -159.2 | 118.1 | 165.6 | 56.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 464 | D | 38.3 | Very low | 30.8 | Very low | 161 Ų | 161 | 138.5 Ų | 138.5 | 86% | 0.861 | 74% | 0.736 | S | S | * | * | trans | -68.6 | 135.2 | 172.4 | -51.8 | -72.2 | 0 | 0 | 0 | 110.3 | ||||
| 465 | E | 27.1 | Very low | 30.7 | Very low | 197 Ų | 197 | 133 Ų | 133 | 92% | 0.921 | 72% | 0.723 | S | S | * | * | trans | -144.3 | 136.6 | 136.9 | -79.3 | -153 | 139.3 | 0 | 0 | 108.6 | ||||
| 466 | E | 28.8 | Very low | 30.7 | Very low | 185 Ų | 185 | 131.7 Ų | 131.7 | 86% | 0.864 | 72% | 0.718 | S | S | * | * | trans | -88.9 | 125.6 | -179.9 | -55.3 | 174.9 | 121.5 | 0 | 0 | 110.2 | ||||
| 467 | T | 24.1 | Very low | 30.6 | Very low | 133 Ų | 133 | 131.4 Ų | 131.4 | 82% | 0.816 | 72% | 0.715 | S | S | * | * | trans | -169.9 | 125 | 141.8 | 10.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 468 | S | 24.3 | Very low | 30.8 | Very low | 109 Ų | 109 | 131.5 Ų | 131.5 | 76% | 0.762 | 71% | 0.705 | S | S | * | * | trans | 32.8 | 100.3 | 147.9 | 58.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 469 | S | 24.7 | Very low | 30.6 | Very low | 118 Ų | 118 | 124.9 Ų | 124.9 | 83% | 0.825 | 68% | 0.684 | S | S | * | * | trans | -179.4 | 60.5 | 134.9 | 39.2 | 0 | 0 | 0 | 0 | 113.8 | M471 | S469-M471 PolarHBondContact O-N 3.14Š| ||
| 470 | L | 24.9 | Very low | 30.5 | Very low | 157 Ų | 157 | 121 Ų | 121 | 82% | 0.822 | 67% | 0.67 | S | S | * | * | trans | -80.1 | 95.5 | 172.3 | -69.8 | 175.7 | 0 | 0 | 0 | 111.2 | ||||
| 471 | M | 25 | Very low | 30.2 | Very low | 100 Ų | 100 | 123.8 Ų | 123.8 | 49% | 0.493 | 67% | 0.666 | S | S | . | * | trans | -132.1 | 127.6 | 178.9 | -142.2 | 73.3 | 173.1 | 0 | 0 | 112 | S469 | S469-M471 PolarHBondContact O-N 3.14Š| ||
| 472 | N | 28 | Very low | 30.3 | Very low | 90 Ų | 90 | 126.4 Ų | 126.4 | 48% | 0.481 | 66% | 0.663 | S | S | . | * | trans | 62.3 | 59.7 | 161.2 | -57.8 | -31.7 | 0 | 0 | 0 | 119.8 | S474 | N472-S474 PolarHBondContact O-N 2.67Å; N472-S474 VanDerWaalsContact O-N 3.12Å | ||
| 473 | Q | 27.6 | Very low | 29.7 | Very low | 154 Ų | 154 | 122.9 Ų | 122.9 | 72% | 0.72 | 65% | 0.646 | S | S | * | * | trans | -79.9 | 71.6 | 151.2 | -79.7 | -166.3 | -8.6 | 0 | 0 | 111.2 | ||||
| 474 | S | 31.6 | Very low | 29.5 | Very low | 48 Ų | 48 | 126.1 Ų | 126.1 | 34% | 0.336 | 65% | 0.647 | S | S | . | * | trans | -107.4 | 49.7 | 177 | 57 | 0 | 0 | 0 | 0 | 112.2 | R389 N472 | R389-S474 PolarHBondContact NH1-OG 2.81Å; R389-S474 PolarHBondContact NH2-O 3.14Å; R389-S474 PolarHBondContact NH2-OG 2.99Å; N472-S474 PolarHBondContact O-N 2.67Å; N472-S474 VanDerWaalsContact O-N 3.12Å | ||
| 475 | V | 33.8 | Very low | 28.8 | Very low | 71 Ų | 71 | 122.9 Ų | 122.9 | 43% | 0.43 | 64% | 0.637 | S | S | . | * | trans | -141.4 | 74.7 | 172.8 | -163.4 | 0 | 0 | 0 | 0 | 108.7 | E479 | V475-E479 VanDerWaalsContact CG1-CD 3.43Å; V475-E479 HydrophobicContact CG1-CG 4.16Å; V475-E479 VanDerWaalsContact CG1-OE2 3.24Å; V475-E479 WeakPolarHBondContact CG1-OE2 3.49Å | ||
| 476 | S | 35.7 | Very low | 28.7 | Very low | 75 Ų | 75 | 120.2 Ų | 120.2 | 52% | 0.524 | 62% | 0.622 | S | S | . | * | S | Bend | trans | -157 | 58.8 | 173.8 | -152.3 | 0 | 0 | 0 | 0 | 112.4 | ||
| 477 | E | 35.3 | Very low | 28.5 | Very low | 94 Ų | 94 | 118.1 Ų | 118.1 | 44% | 0.439 | 62% | 0.622 | S | S | . | * | S | Bend | trans | -166.6 | -21.6 | 149.3 | -116.1 | -174.4 | -142.3 | 0 | 0 | 113 | R480 | E477-R480 VanDerWaalsContact O-CB 3.31Å; E477-R480 WeakPolarHBondContact O-CB 3.39Å; E477-R480 PolarHBondContact O-N 3.45Å |
| 478 | E | 36.4 | Very low | 28.6 | Very low | 92 Ų | 92 | 119.1 Ų | 119.1 | 43% | 0.43 | 62% | 0.617 | S | S | . | * | S | Bend | trans | -85.4 | -17.5 | 176.1 | -159.4 | 169.5 | -177.7 | 0 | 0 | 113.9 | R360 R480 L481 K482 | R360-E478 IonicContact CZ-OE2 3.27Å; R360-E478 IonicContact NH1-OE2 2.95Å; R360-E478 PolarHBondContact NH1-OE2 2.99Å; R360-E478 IonicContact NH2-OE2 3.84Å; R360-E478 PolarHBondContact NH2-OE2 2.95Å; E478-R480 VanDerWaalsContact C-N 3.26Å; E478-L481 CarbonylContact O-C 3.3Å; E478-L481 WeakPolarHBondContact O-CA 3.37Å; E478-L481 PolarHBondContact O-N 2.77Å; E478-K482 PolarHBondContact O-N 2.86Å; E478-K482 VanDerWaalsContact O-N 3.17Å |
| 479 | E | 31.2 | Very low | 28.7 | Very low | 91 Ų | 91 | 123 Ų | 123 | 43% | 0.425 | 62% | 0.623 | S | S | . | * | G | 310 helix | trans | -64.4 | -32.8 | 159.6 | -87.8 | 165.3 | 178.6 | 0 | 0 | 110.3 | V475 L481 K482 E483 | V475-E479 VanDerWaalsContact CG1-CD 3.43Å; V475-E479 HydrophobicContact CG1-CG 4.16Å; V475-E479 VanDerWaalsContact CG1-OE2 3.24Å; V475-E479 WeakPolarHBondContact CG1-OE2 3.49Å; E479-L481 PolarHBondContact O-N 2.76Å; E479-K482 PolarHBondContact O-N 3.27Å; E479-E483 HydrophobicContact CB-CG 4.15Å; E479-E483 HydrophobicContact CG-CG 4.28Å; E479-E483 WeakPolarHBondContact O-CA 3.25Å; E479-E483 VanDerWaalsContact O-CB 3.29Å; E479-E483 WeakPolarHBondContact O-CB 3.41Å; E479-E483 PolarHBondContact O-N 2.87Å |
| 480 | R | 29.8 | Very low | 28.7 | Very low | 163 Ų | 163 | 125.6 Ų | 125.6 | 62% | 0.615 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -66.7 | 0.2 | 165.8 | -82.3 | -173.1 | 170.8 | 121.3 | 4.1 | 115.2 | E477 E478 | E477-R480 VanDerWaalsContact O-CB 3.31Å; E477-R480 WeakPolarHBondContact O-CB 3.39Å; E477-R480 PolarHBondContact O-N 3.45Å; E478-R480 VanDerWaalsContact C-N 3.26Å |
| 481 | L | 31.8 | Very low | 28.7 | Very low | 132 Ų | 132 | 125.9 Ų | 125.9 | 69% | 0.691 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -121.7 | 10.5 | 171.2 | -64.5 | 174 | 0 | 0 | 0 | 113 | E478 E479 | E478-L481 CarbonylContact O-C 3.3Å; E478-L481 WeakPolarHBondContact O-CA 3.37Å; E478-L481 PolarHBondContact O-N 2.77Å; E479-L481 PolarHBondContact O-N 2.76Å |
| 482 | K | 30.4 | Very low | 28.7 | Very low | 172 Ų | 172 | 130 Ų | 130 | 75% | 0.748 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.8 | -16.5 | 170.9 | -74.7 | -167.9 | 173.8 | -179 | 0 | 114.8 | E478 E479 | E478-K482 PolarHBondContact O-N 2.86Å; E478-K482 VanDerWaalsContact O-N 3.17Å; E479-K482 PolarHBondContact O-N 3.27Å |
| 483 | E | 25.6 | Very low | 28.5 | Very low | 130 Ų | 130 | 132.2 Ų | 132.2 | 61% | 0.607 | 66% | 0.659 | S | S | * | * | trans | -100.3 | 74.8 | 171.6 | -60.7 | -169.2 | 129.4 | 0 | 0 | 110.6 | E479 | E479-E483 HydrophobicContact CB-CG 4.15Å; E479-E483 HydrophobicContact CG-CG 4.28Å; E479-E483 WeakPolarHBondContact O-CA 3.25Å; E479-E483 VanDerWaalsContact O-CB 3.29Å; E479-E483 WeakPolarHBondContact O-CB 3.41Å; E479-E483 PolarHBondContact O-N 2.87Å | ||
| 484 | F | 26 | Very low | 28.3 | Very low | 177 Ų | 177 | 132.3 Ų | 132.3 | 78% | 0.776 | 67% | 0.665 | S | S | * | * | trans | -114.3 | 80.9 | 144.8 | -87.3 | -82.1 | 0 | 0 | 0 | 106.8 | ||||
| 485 | S | 22.7 | Very low | 28 | Very low | 92 Ų | 92 | 139 Ų | 139 | 64% | 0.643 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -156.8 | 84.2 | -177.5 | -78.2 | 0 | 0 | 0 | 0 | 111 | ||
| 486 | F | 25.1 | Very low | 27.5 | Very low | 141 Ų | 141 | 143.1 Ų | 143.1 | 62% | 0.618 | 71% | 0.71 | S | S | * | * | trans | 41.4 | 106.2 | 155.3 | -66.9 | -90.5 | 0 | 0 | 0 | 118.9 | ||||
| 487 | V | 25.3 | Very low | 27.2 | Very low | 141 Ų | 141 | 145 Ų | 145 | 86% | 0.855 | 72% | 0.72 | S | S | * | * | trans | -118.6 | 128.4 | 140 | 175.7 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 488 | Q | 25.8 | Very low | 26.7 | Very low | 155 Ų | 155 | 149.3 Ų | 149.3 | 72% | 0.724 | 74% | 0.74 | S | S | * | * | trans | -81.5 | 135.1 | 165 | -74.2 | 169.6 | -93 | 0 | 0 | 108.4 | ||||
| 489 | E | 25.2 | Very low | 26.1 | Very low | 189 Ų | 189 | 150.6 Ų | 150.6 | 88% | 0.883 | 76% | 0.76 | S | S | * | * | trans | -88.4 | 133.6 | 149.4 | -70 | -176 | 122.9 | 0 | 0 | 107.1 | ||||
| 490 | E | 25.3 | Very low | 25.8 | Very low | 174 Ų | 174 | 150.2 Ų | 150.2 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | trans | -91.1 | 108.7 | 172.3 | -67.9 | 179.9 | 131.3 | 0 | 0 | 108.1 | Q492 | E490-Q492 PolarHBondContact O-N 3.17Š| ||
| 491 | D | 24.7 | Very low | 25.4 | Very low | 162 Ų | 162 | 149.5 Ų | 149.5 | 87% | 0.866 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -64 | 128.3 | 166.3 | -81 | -46.8 | 0 | 0 | 0 | 109.5 | ||
| 492 | Q | 24.7 | Very low | 25.1 | Very low | 188 Ų | 188 | 153 Ų | 153 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 138.1 | 170.8 | -72.8 | -166.5 | -12.3 | 0 | 0 | 110.6 | E490 | E490-Q492 PolarHBondContact O-N 3.17Š|
| 493 | V | 24.6 | Very low | 24.8 | Very low | 135 Ų | 135 | 152.3 Ų | 152.3 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 138.2 | -168.8 | -178.6 | 0 | 0 | 0 | 0 | 111.9 | ||
| 494 | D | 22.6 | Very low | 24.7 | Very low | 157 Ų | 157 | 154.6 Ų | 154.6 | 84% | 0.84 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 149.5 | 172 | -80.4 | -58.4 | 0 | 0 | 0 | 113 | ||
| 495 | H | 25.3 | Very low | 24.7 | Very low | 189 Ų | 189 | 151.3 Ų | 151.3 | 88% | 0.875 | 81% | 0.807 | S | S | * | * | trans | -127.7 | 121.9 | 169.7 | -104.4 | -48.5 | 0 | 0 | 0 | 111.1 | ||||
| 496 | D | 24.1 | Very low | 24.8 | Very low | 157 Ų | 157 | 153.2 Ų | 153.2 | 84% | 0.84 | 81% | 0.81 | S | S | * | * | trans | -62.1 | 148 | -176.7 | -104.8 | -36.9 | 0 | 0 | 0 | 114.6 | ||||
| 497 | P | 29.7 | Very low | 25.1 | Very low | 113 Ų | 113 | 156.7 Ų | 156.7 | 73% | 0.734 | 82% | 0.819 | S | S | * | * | trans | -89.3 | 145.5 | 172 | 35.4 | -32.5 | 0 | 0 | 0 | 112.7 | ||||
| 498 | Q | 23.7 | Very low | 25.7 | Very low | 185 Ų | 185 | 155.2 Ų | 155.2 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | trans | -124.7 | 127.2 | 167.9 | -76 | -162.9 | -11.7 | 0 | 0 | 113.6 | ||||
| 499 | S | 23.7 | Very low | 25.7 | Very low | 120 Ų | 120 | 155.3 Ų | 155.3 | 84% | 0.839 | 82% | 0.818 | S | S | * | * | trans | 43.1 | 122.6 | 147.3 | 57.7 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 500 | G | 24.7 | Very low | 25.9 | Very low | 82 Ų | 82 | 155.2 Ų | 155.2 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | trans | -163 | 129 | 160.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 501 | E | 23 | Very low | 26 | Very low | 149 Ų | 149 | 150.6 Ų | 150.6 | 70% | 0.696 | 82% | 0.816 | S | S | * | * | trans | -97.6 | 147.1 | -169.1 | -81.7 | -161.1 | 96.2 | 0 | 0 | 115.7 | ||||
| 502 | R | 24.1 | Very low | 26.2 | Very low | 205 Ų | 205 | 151.3 Ų | 151.3 | 77% | 0.774 | 82% | 0.819 | S | S | * | * | trans | 68.4 | 154.2 | 154 | -63.9 | 163.5 | -155.1 | -154.5 | 10.5 | 116.1 | ||||
| 503 | L | 25.9 | Very low | 26.3 | Very low | 157 Ų | 157 | 150.5 Ų | 150.5 | 82% | 0.822 | 82% | 0.816 | S | S | * | * | cis | -147.8 | 176.8 | 32.6 | -156.9 | 120.1 | 0 | 0 | 0 | 113.3 | ||||
| 504 | E | 23.2 | Very low | 26.2 | Very low | 179 Ų | 179 | 153.3 Ų | 153.3 | 84% | 0.836 | 82% | 0.817 | S | S | * | * | trans | -90 | 156.1 | -165.4 | -55.4 | 160.2 | 111.4 | 0 | 0 | 116 | ||||
| 505 | A | 25.2 | Very low | 26.4 | Very low | 107 Ų | 107 | 153.6 Ų | 153.6 | 88% | 0.884 | 81% | 0.813 | S | S | * | * | trans | -159.2 | 134.9 | 148.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 506 | D | 24.4 | Very low | 27 | Very low | 132 Ų | 132 | 152 Ų | 152 | 71% | 0.706 | 81% | 0.81 | S | S | * | * | trans | -71.3 | 137.3 | -168.9 | -99.3 | -39.1 | 0 | 0 | 0 | 117.6 | ||||
| 507 | R | 32.3 | Very low | 27.2 | Very low | 215 Ų | 215 | 150.2 Ų | 150.2 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | 55.8 | 176.9 | 126.8 | -59.1 | 172.5 | -169.5 | -144 | -2.2 | 121.1 | |||||
| 508 | P | 38.4 | Very low | 27 | Very low | 110 Ų | 110 | 152.6 Ų | 152.6 | 71% | 0.714 | 81% | 0.813 | S | S | * | * | -133.2 | 170 | -66.7 | 40.5 | -25.8 | 0 | 0 | 0 | 112.4 | |||||
| 509 | D | 25.8 | Very low | 27.2 | Very low | 157 Ų | 157 | 148 Ų | 148 | 84% | 0.84 | 80% | 0.801 | S | S | * | * | -166.5 | 171.2 | 128.7 | -128.2 | -33.6 | 0 | 0 | 0 | 114.6 | |||||
| 510 | Q | 27.7 | Very low | 27.4 | Very low | 187 Ų | 187 | 151.1 Ų | 151.1 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | trans | -95.2 | 141 | -175.1 | -58 | 174.4 | 1.1 | 0 | 0 | 112.8 | ||||
| 511 | G | 28.1 | Very low | 27.4 | Very low | 76 Ų | 76 | 157.8 Ų | 157.8 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | trans | -178.7 | 73.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | Q513 | G511-Q513 PolarHBondContact O-N 2.98Š| ||
| 512 | L | 28.5 | Very low | 27.5 | Very low | 178 Ų | 178 | 155.9 Ų | 155.9 | 93% | 0.932 | 80% | 0.798 | S | S | * | * | trans | -72.4 | 120.6 | 168.1 | -77.2 | 169.9 | 0 | 0 | 0 | 110.9 | ||||
| 513 | Q | 26.9 | Very low | 27.4 | Very low | 171 Ų | 171 | 155.5 Ų | 155.5 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | trans | -132 | 123.8 | 163.3 | -79.3 | -167.7 | -20.4 | 0 | 0 | 111.9 | G511 | G511-Q513 PolarHBondContact O-N 2.98Š| ||
| 514 | F | 23.6 | Very low | 27.8 | Very low | 193 Ų | 193 | 153.5 Ų | 153.5 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | trans | -73.5 | 129.2 | 170 | -86 | -106.4 | 0 | 0 | 0 | 110.6 | ||||
| 515 | H | 26.5 | Very low | 28.7 | Very low | 163 Ų | 163 | 150 Ų | 150 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | trans | -141.8 | 115.7 | 161.5 | -85.9 | -73.1 | 0 | 0 | 0 | 112.4 | ||||
| 516 | L | 37.6 | Very low | 28.7 | Very low | 156 Ų | 156 | 155.5 Ų | 155.5 | 82% | 0.817 | 79% | 0.789 | S | S | * | * | trans | -73.3 | 145.3 | 154.8 | -73.5 | 81.7 | 0 | 0 | 0 | 109 | ||||
| 517 | P | 28.6 | Very low | 28.7 | Very low | 119 Ų | 119 | 156.7 Ų | 156.7 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | -114.5 | 120.5 | 161.2 | 33.8 | -23 | 0 | 0 | 0 | 112.4 | ||||
| 518 | L | 25.4 | Very low | 28.3 | Very low | 164 Ų | 164 | 150 Ų | 150 | 86% | 0.859 | 78% | 0.784 | S | S | * | * | trans | -98.4 | 111.3 | 159.5 | -81 | 172.2 | 0 | 0 | 0 | 109.7 | ||||
| 519 | S | 28.2 | Very low | 27.7 | Very low | 87 Ų | 87 | 152.1 Ų | 152.1 | 61% | 0.608 | 79% | 0.789 | S | S | * | * | trans | 51.4 | 136.1 | 147 | 63.7 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 520 | F | 26.6 | Very low | 27.7 | Very low | 187 Ų | 187 | 151.6 Ų | 151.6 | 82% | 0.82 | 78% | 0.782 | S | S | * | * | trans | 100.7 | 117.8 | 150.7 | -63.9 | -65.4 | 0 | 0 | 0 | 122.8 | ||||
| 521 | R | 25.8 | Very low | 27.6 | Very low | 221 Ų | 221 | 146.6 Ų | 146.6 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | trans | 104.3 | 100.9 | 139 | -81 | -172.4 | 177.9 | -135.1 | -0.6 | 123 | ||||
| 522 | T | 25 | Very low | 27.4 | Very low | 110 Ų | 110 | 148.8 Ų | 148.8 | 68% | 0.675 | 77% | 0.77 | S | S | * | * | 64.8 | 110.5 | 126.2 | 56.5 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 523 | K | 22 | Very low | 27.2 | Very low | 197 Ų | 197 | 148.3 Ų | 148.3 | 86% | 0.857 | 76% | 0.76 | S | S | * | * | 49.3 | 159.6 | 115 | -69.4 | -165.7 | 179.4 | -172.6 | 0 | 121.4 | |||||
| 524 | P | 33.7 | Very low | 27 | Very low | 115 Ų | 115 | 146 Ų | 146 | 75% | 0.747 | 75% | 0.753 | S | S | * | * | cis | -129.9 | -120.9 | -26.1 | 28.2 | -2.3 | 0 | 0 | 0 | 113.8 | ||||
| 525 | P | 42.3 | Very low | 27.1 | Very low | 104 Ų | 104 | 141.7 Ų | 141.7 | 68% | 0.675 | 75% | 0.747 | S | S | * | * | -128.3 | 176 | -107.6 | 41.3 | -23.4 | 0 | 0 | 0 | 116.6 | |||||
| 526 | R | 25.3 | Very low | 27.1 | Very low | 224 Ų | 224 | 140 Ų | 140 | 85% | 0.845 | 75% | 0.748 | S | S | * | * | trans | -178.7 | 140.1 | 146.2 | -97.2 | 145.1 | -172.7 | -152.5 | -1.5 | 109.3 | ||||
| 527 | I | 25.1 | Very low | 26.6 | Very low | 156 Ų | 156 | 137.4 Ų | 137.4 | 80% | 0.8 | 74% | 0.743 | S | S | * | * | 68.5 | 128.3 | 62.6 | -67.8 | 170 | 0 | 0 | 0 | 111.6 | |||||
| 528 | A | 23.8 | Very low | 26.6 | Very low | 75 Ų | 75 | 136.6 Ų | 136.6 | 62% | 0.62 | 74% | 0.74 | S | S | * | * | cis | -172.7 | 173.6 | -9.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 529 | L | 25.2 | Very low | 26.5 | Very low | 155 Ų | 155 | 137.7 Ų | 137.7 | 81% | 0.812 | 74% | 0.738 | S | S | * | * | trans | 70.2 | 164.9 | 142.3 | -83.8 | 167.7 | 0 | 0 | 0 | 121.8 | ||||
| 530 | Q | 26.1 | Very low | 26.6 | Very low | 146 Ų | 146 | 138.4 Ų | 138.4 | 68% | 0.682 | 74% | 0.739 | S | S | * | * | trans | 64.4 | 101.9 | 170 | -113.3 | 59 | 16 | 0 | 0 | 116.6 | ||||
| 531 | A | 24.9 | Very low | 26.8 | Very low | 81 Ų | 81 | 137.6 Ų | 137.6 | 67% | 0.669 | 74% | 0.735 | S | S | * | * | cis | 73.9 | 161.9 | 35.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 532 | V | 24.1 | Very low | 27.1 | Very low | 123 Ų | 123 | 135.4 Ų | 135.4 | 75% | 0.745 | 73% | 0.731 | S | S | * | * | trans | 64 | 143.6 | -164.7 | -124.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 533 | K | 23.8 | Very low | 27.1 | Very low | 168 Ų | 168 | 135.9 Ų | 135.9 | 73% | 0.73 | 73% | 0.734 | S | S | * | * | cis | -156.4 | 163.5 | 21.7 | -170.4 | 162.6 | -177.8 | -178.7 | 0 | 114.1 | ||||
| 534 | D | 24.2 | Very low | 27.3 | Very low | 121 Ų | 121 | 133 Ų | 133 | 65% | 0.647 | 73% | 0.734 | S | S | * | * | trans | -24.1 | 156.8 | 153.6 | -10.1 | -45 | 0 | 0 | 0 | 115.5 | ||||
| 535 | S | 25.8 | Very low | 26.9 | Very low | 103 Ų | 103 | 134.6 Ų | 134.6 | 72% | 0.72 | 73% | 0.731 | S | S | * | * | cis | -165.7 | 167.3 | 25.6 | -146.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 536 | V | 25.6 | Very low | 26.2 | Very low | 128 Ų | 128 | 137.2 Ų | 137.2 | 78% | 0.776 | 73% | 0.732 | S | S | * | * | trans | 1.3 | 121.3 | 140.5 | 179.8 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 537 | S | 26.5 | Very low | 26.3 | Very low | 102 Ų | 102 | 133 Ų | 133 | 71% | 0.713 | 73% | 0.725 | S | S | * | * | -165 | 118.2 | 114.8 | 68.9 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 538 | S | 28.8 | Very low | 26.2 | Very low | 101 Ų | 101 | 132.1 Ų | 132.1 | 71% | 0.706 | 72% | 0.721 | S | S | * | * | 80 | 153.6 | 79.4 | 93 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 539 | F | 24.3 | Very low | 26.3 | Very low | 188 Ų | 188 | 134.1 Ų | 134.1 | 83% | 0.825 | 73% | 0.726 | S | S | * | * | cis | -162.7 | -171.1 | 7.5 | -151.4 | -156.6 | 0 | 0 | 0 | 109.6 | ||||
| 540 | V | 29.8 | Very low | 26.4 | Very low | 102 Ų | 102 | 133.1 Ų | 133.1 | 62% | 0.618 | 72% | 0.721 | S | S | * | * | trans | 71.5 | 129.7 | 151.2 | 163.9 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 541 | K | 31.2 | Very low | 26.3 | Very low | 169 Ų | 169 | 133.8 Ų | 133.8 | 74% | 0.735 | 72% | 0.724 | S | S | * | * | cis | -160.4 | 150.7 | -5.3 | -114.9 | 175.2 | -162.5 | 157.1 | 0 | 111.9 | ||||
| 542 | K | 31 | Very low | 26.4 | Very low | 175 Ų | 175 | 136.7 Ų | 136.7 | 76% | 0.761 | 73% | 0.726 | S | S | * | * | trans | 38.1 | 118.7 | 135.9 | -67.6 | -170.9 | 173.7 | -163.4 | 0 | 119.8 | ||||
| 543 | T | 26.3 | Very low | 26.4 | Very low | 120 Ų | 120 | 136.3 Ų | 136.3 | 74% | 0.736 | 72% | 0.719 | S | S | * | * | 74.3 | 113.6 | 56.2 | 71.2 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 544 | T | 26 | Very low | 26.6 | Very low | 137 Ų | 137 | 133.5 Ų | 133.5 | 84% | 0.84 | 72% | 0.721 | S | S | * | * | trans | -157.8 | 128 | 143.1 | 22.9 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 545 | E | 25.1 | Very low | 26.7 | Very low | 149 Ų | 149 | 135.2 Ų | 135.2 | 70% | 0.696 | 73% | 0.725 | S | S | * | * | cis | 62.6 | 129.9 | 40.8 | -69.5 | -138.8 | 131.5 | 0 | 0 | 113.8 | ||||
| 546 | K | 27.7 | Very low | 26.7 | Very low | 159 Ų | 159 | 135.5 Ų | 135.5 | 69% | 0.691 | 72% | 0.718 | S | S | * | * | cis | -175.1 | -176.8 | -5 | -160.1 | 176.8 | -152.9 | 153.3 | 0 | 109.6 | ||||
| 547 | I | 26.8 | Very low | 26.7 | Very low | 135 Ų | 135 | 139.6 Ų | 139.6 | 69% | 0.692 | 72% | 0.719 | S | S | * | * | trans | 103.5 | 112.1 | 150.4 | -64 | 150.5 | 0 | 0 | 0 | 119.1 | ||||
| 548 | N | 23.4 | Very low | 26.6 | Very low | 137 Ų | 137 | 142.8 Ų | 142.8 | 73% | 0.733 | 72% | 0.723 | S | S | * | * | 42.4 | 159.8 | 128.9 | -46.1 | -4.8 | 0 | 0 | 0 | 121.7 | |||||
| 549 | T | 24.9 | Very low | 26.6 | Very low | 117 Ų | 117 | 147.3 Ų | 147.3 | 72% | 0.718 | 72% | 0.724 | S | S | * | * | cis | -161.5 | 150.8 | 6.2 | -6.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 550 | L | 27.6 | Very low | 27.2 | Very low | 134 Ų | 134 | 144.2 Ų | 144.2 | 70% | 0.702 | 72% | 0.723 | S | S | * | * | 172.2 | 133.8 | 94.8 | -84.9 | -175.6 | 0 | 0 | 0 | 107.6 | |||||
| 551 | Q | 25.1 | Very low | 27.1 | Very low | 161 Ų | 161 | 145.1 Ų | 145.1 | 75% | 0.752 | 72% | 0.721 | S | S | * | * | 59.9 | 135.1 | 93.2 | -74.3 | -169.3 | -9.4 | 0 | 0 | 116.5 | |||||
| 552 | M | 27 | Very low | 26.8 | Very low | 142 Ų | 142 | 145.7 Ų | 145.7 | 70% | 0.7 | 72% | 0.723 | S | S | * | * | cis | -151.7 | 164.2 | -0.9 | -76.4 | -137.8 | 80 | 0 | 0 | 113.5 | ||||
| 553 | N | 24.5 | Very low | 26.5 | Very low | 115 Ų | 115 | 144.1 Ų | 144.1 | 62% | 0.615 | 72% | 0.716 | S | S | * | * | trans | 4.2 | 139.9 | 151.9 | -54.7 | 6.7 | 0 | 0 | 0 | 120.1 | ||||
| 554 | S | 26.9 | Very low | 26.4 | Very low | 108 Ų | 108 | 146 Ų | 146 | 76% | 0.755 | 72% | 0.717 | S | S | * | * | -164.3 | 136.8 | 72.5 | -64.7 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 555 | E | 26.1 | Very low | 26.2 | Very low | 157 Ų | 157 | 143 Ų | 143 | 73% | 0.734 | 71% | 0.714 | S | S | * | * | 60.9 | 133.3 | 77.5 | -71.7 | -158.7 | -145.1 | 0 | 0 | 115.5 | |||||
| 556 | L | 27.4 | Very low | 26.1 | Very low | 110 Ų | 110 | 141 Ų | 141 | 58% | 0.576 | 72% | 0.722 | S | S | * | * | cis | -170.1 | 166.3 | -13.4 | -123.8 | 177.5 | 0 | 0 | 0 | 110.1 | ||||
| 557 | R | 25.4 | Very low | 26 | Very low | 213 Ų | 213 | 141.5 Ų | 141.5 | 80% | 0.804 | 73% | 0.727 | S | S | * | * | trans | 66.8 | 168.2 | 160.9 | -65.9 | 152 | -161.2 | -119.9 | 1.9 | 117 | ||||
| 558 | H | 23.8 | Very low | 26.6 | Very low | 170 Ų | 170 | 140.1 Ų | 140.1 | 79% | 0.787 | 73% | 0.727 | S | S | * | * | -172.9 | 154.8 | -51.6 | -112.2 | -58.5 | 0 | 0 | 0 | 107.9 | |||||
| 559 | R | 28.7 | Very low | 26.8 | Very low | 195 Ų | 195 | 139.9 Ų | 139.9 | 74% | 0.736 | 73% | 0.726 | S | S | * | * | trans | -21.5 | 152.9 | 152.8 | -106.4 | 179.1 | 161.2 | -177.8 | -5.1 | 116.4 | E561 | R559-E561 IonicContact CZ-OE1 2.58Å; R559-E561 IonicContact NE-OE1 3.87Å; R559-E561 PolarHBondContact NE-OE1 2.84Å; R559-E561 IonicContact NH2-OE1 3.01Å; R559-E561 PolarHBondContact NH2-OE1 2.9Å | ||
| 560 | P | 36.2 | Very low | 27 | Very low | 124 Ų | 124 | 139.8 Ų | 139.8 | 81% | 0.805 | 73% | 0.725 | S | S | * | * | -146.4 | -174.9 | 62.1 | 41.5 | -22.5 | 0 | 0 | 0 | 117.6 | |||||
| 561 | E | 27.9 | Very low | 27 | Very low | 121 Ų | 121 | 141.4 Ų | 141.4 | 57% | 0.565 | 73% | 0.734 | S | S | * | * | trans | -87.1 | 150.7 | 172.7 | -63.4 | 131.7 | -155.8 | 0 | 0 | 111.7 | R559 | R559-E561 IonicContact CZ-OE1 2.58Å; R559-E561 IonicContact NE-OE1 3.87Å; R559-E561 PolarHBondContact NE-OE1 2.84Å; R559-E561 IonicContact NH2-OE1 3.01Å; R559-E561 PolarHBondContact NH2-OE1 2.9Å | ||
| 562 | F | 24.7 | Very low | 27.1 | Very low | 180 Ų | 180 | 138.5 Ų | 138.5 | 79% | 0.789 | 74% | 0.737 | S | S | * | * | 175.8 | 141.5 | 118.1 | -113.7 | -112.2 | 0 | 0 | 0 | 114.7 | |||||
| 563 | K | 26.2 | Very low | 27.1 | Very low | 142 Ų | 142 | 134.7 Ų | 134.7 | 62% | 0.617 | 73% | 0.734 | S | S | * | * | trans | 35.9 | 139 | 147 | -84.6 | -174.7 | 151.3 | -133.9 | 0 | 125 | ||||
| 564 | E | 23.1 | Very low | 27.2 | Very low | 159 Ų | 159 | 136.4 Ų | 136.4 | 74% | 0.743 | 75% | 0.749 | S | S | * | * | trans | 61.6 | 126.7 | 133.7 | -68.1 | 167 | 170.6 | 0 | 0 | 121.9 | ||||
| 565 | G | 22.6 | Very low | 27.1 | Very low | 75 Ų | 75 | 135.1 Ų | 135.1 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | 128.3 | 108.6 | 127 | 0 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 566 | A | 22.4 | Very low | 27.1 | Very low | 106 Ų | 106 | 132.7 Ų | 132.7 | 88% | 0.876 | 75% | 0.746 | S | S | * | * | trans | 59.9 | 128.7 | 143.7 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 567 | Q | 26.2 | Very low | 27.1 | Very low | 170 Ų | 170 | 138 Ų | 138 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | trans | -39.7 | 158.8 | 142.1 | -94.3 | 170.4 | -34 | 0 | 0 | 113.7 | ||||
| 568 | P | 39 | Very low | 27.1 | Very low | 107 Ų | 107 | 133.1 Ų | 133.1 | 70% | 0.695 | 76% | 0.758 | S | S | * | * | -150.1 | 163.4 | 54 | 42.1 | -22.3 | 0 | 0 | 0 | 119.5 | |||||
| 569 | D | 27 | Very low | 27.6 | Very low | 131 Ų | 131 | 131 Ų | 131 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | trans | 47.4 | 151.1 | 131.2 | -52.7 | -14.2 | 0 | 0 | 0 | 120.7 | ||||
| 570 | T | 28.5 | Very low | 27.8 | Very low | 116 Ų | 116 | 131.1 Ų | 131.1 | 71% | 0.712 | 76% | 0.761 | S | S | * | * | -172.7 | 117.5 | 61.3 | -54.4 | 0 | 0 | 0 | 0 | 114 | |||||
| 571 | L | 28 | Very low | 27.8 | Very low | 167 Ų | 167 | 134 Ų | 134 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | trans | 60.3 | 155.4 | 150.7 | -61.5 | 174.9 | 0 | 0 | 0 | 119.6 | ||||
| 572 | A | 27.9 | Very low | 28.1 | Very low | 100 Ų | 100 | 133.9 Ų | 133.9 | 83% | 0.826 | 77% | 0.766 | S | S | * | * | cis | -145.1 | 166.4 | -0.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 573 | G | 26.8 | Very low | 28.7 | Very low | 62 Ų | 62 | 129.9 Ų | 129.9 | 64% | 0.639 | 76% | 0.76 | S | S | * | * | cis | 159.1 | 145.5 | -7.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 574 | T | 26.5 | Very low | 29.2 | Very low | 151 Ų | 151 | 131.1 Ų | 131.1 | 93% | 0.926 | 77% | 0.768 | S | S | * | * | trans | 45.2 | 136.8 | 160.9 | 23.9 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 575 | A | 24.7 | Very low | 30.1 | Very low | 82 Ų | 82 | 128.3 Ų | 128.3 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | cis | -160.1 | 161.2 | 13.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 576 | S | 26.1 | Very low | 30.9 | Very low | 106 Ų | 106 | 131.6 Ų | 131.6 | 74% | 0.741 | 75% | 0.752 | S | S | * | * | trans | 50.4 | 110.3 | 146.1 | 60.5 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 577 | Y | 27.2 | Very low | 31.6 | Very low | 221 Ų | 221 | 131.1 Ų | 131.1 | 87% | 0.867 | 73% | 0.734 | S | S | * | * | 46.9 | 106.1 | 124.4 | -95.7 | -80.4 | 0 | 0 | 0 | 122.1 | |||||
| 578 | S | 26.7 | Very low | 32.4 | Very low | 110 Ų | 110 | 130.5 Ų | 130.5 | 77% | 0.769 | 73% | 0.731 | S | S | * | * | 172.8 | 105 | 117.9 | 56.3 | 0 | 0 | 0 | 0 | 107.2 | |||||
| 579 | D | 34 | Very low | 32.7 | Very low | 126 Ų | 126 | 130.6 Ų | 130.6 | 67% | 0.674 | 72% | 0.724 | S | S | * | * | 63.1 | 84.2 | 69.7 | -167.3 | 14.2 | 0 | 0 | 0 | 112.9 | |||||
| 580 | E | 32.5 | Very low | 33.6 | Very low | 197 Ų | 197 | 127.8 Ų | 127.8 | 92% | 0.921 | 71% | 0.714 | S | S | * | * | trans | -162.3 | 44.4 | 166.8 | -140.2 | 169.8 | -123.6 | 0 | 0 | 111.6 | ||||
| 581 | M | 35.5 | Very low | 35 | Very low | 184 Ų | 184 | 127 Ų | 127 | 91% | 0.906 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -150.2 | 16.1 | 178 | -145.9 | 170.4 | -179.9 | 0 | 0 | 116.8 | ||
| 582 | E | 34.8 | Very low | 36.5 | Very low | 119 Ų | 119 | 121.6 Ų | 121.6 | 56% | 0.556 | 69% | 0.686 | S | S | * | * | trans | -94.2 | -5.2 | 174.8 | -63.3 | -162.4 | 163.8 | 0 | 0 | 114.1 | E584 Y586 | E582-E584 VanDerWaalsContact C-N 3.33Å; E582-E584 PolarHBondContact O-N 3Å; E582-Y586 HydrophobicContact CB-CD2 4.21Å; E582-Y586 HydrophobicContact CB-CE2 4.23Å | ||
| 583 | S | 37.8 | Very low | 38.4 | Very low | 96 Ų | 96 | 123.7 Ų | 123.7 | 67% | 0.671 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -18.1 | -166.7 | -162.2 | 0 | 0 | 0 | 0 | 116.4 | N587 | S583-N587 PolarHBondContact O-ND2 3.34Š|
| 584 | E | 36.3 | Very low | 40.5 | Very low | 168 Ų | 168 | 123.6 Ų | 123.6 | 79% | 0.785 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | -36.9 | -177.8 | -65.8 | -175.1 | 152.4 | 0 | 0 | 112.5 | E582 N587 | E582-E584 VanDerWaalsContact C-N 3.33Å; E582-E584 PolarHBondContact O-N 3Å; E584-N587 PolarHBondContact O-N 3.19Å |
| 585 | V | 41.1 | Very low | 42.9 | Very low | 100 Ų | 100 | 118.8 Ų | 118.8 | 61% | 0.606 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -73.2 | -32.2 | -177.1 | -177.9 | 0 | 0 | 0 | 0 | 112.4 | N587 | V585-N587 VanDerWaalsContact C-N 3.32Å; V585-N587 PolarHBondContact O-N 3.24Å |
| 586 | Y | 39.5 | Very low | 45.5 | Very low | 144 Ų | 144 | 116.4 Ų | 116.4 | 57% | 0.565 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -70.2 | -24.3 | 176.4 | -86.4 | -82.6 | 0 | 0 | 0 | 113.7 | E582 S590 | E582-Y586 HydrophobicContact CB-CD2 4.21Å; E582-Y586 HydrophobicContact CB-CE2 4.23Å; Y586-S590 VanDerWaalsContact O-CB 3.3Å; Y586-S590 WeakPolarHBondContact O-CB 3.32Å; Y586-S590 PolarHBondContact O-N 3.1Å |
| 587 | N | 37.9 | Very low | 48.1 | Very low | 96 Ų | 96 | 115.8 Ų | 115.8 | 51% | 0.513 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -74.7 | -41.5 | -178.7 | -85.3 | -46.4 | 0 | 0 | 0 | 112.9 | S583 E584 V585 M589 S590 N591 | S583-N587 PolarHBondContact O-ND2 3.34Å; E584-N587 PolarHBondContact O-N 3.19Å; V585-N587 VanDerWaalsContact C-N 3.32Å; V585-N587 PolarHBondContact O-N 3.24Å; N587-M589 VanDerWaalsContact C-N 3.32Å; N587-M589 PolarHBondContact O-N 3.09Å; N587-S590 PolarHBondContact O-N 2.93Å; N587-N591 PolarHBondContact O-N 3.07Å; N587-N591 PolarHBondContact O-ND2 3.34Å |
| 588 | E | 43.6 | Very low | 50.8 | Low | 157 Ų | 157 | 109.4 Ų | 109.4 | 73% | 0.734 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63.9 | -40.5 | 175.8 | -66.6 | -168.8 | 141.7 | 0 | 0 | 111.4 | N591 A592 | E588-N591 PolarHBondContact O-N 3.45Å; E588-A592 PolarHBondContact O-N 2.79Å |
| 589 | M | 44.3 | Very low | 53.5 | Low | 110 Ų | 110 | 104.2 Ų | 104.2 | 54% | 0.542 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -69.1 | -37.6 | 179.4 | -146.9 | 148.8 | 57.4 | 0 | 0 | 111.8 | N587 E593 | N587-M589 VanDerWaalsContact C-N 3.32Å; N587-M589 PolarHBondContact O-N 3.09Å; M589-E593 PolarHBondContact O-N 3.18Å |
| 590 | S | 46.8 | Very low | 56 | Low | 71 Ų | 71 | 101.8 Ų | 101.8 | 50% | 0.497 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.6 | -34.4 | 172.7 | -174.6 | 0 | 0 | 0 | 0 | 113.5 | Y586 N587 A594 | Y586-S590 VanDerWaalsContact O-CB 3.3Å; Y586-S590 WeakPolarHBondContact O-CB 3.32Å; Y586-S590 PolarHBondContact O-N 3.1Å; N587-S590 PolarHBondContact O-N 2.93Å; S590-A594 WeakPolarHBondContact O-CB 3.41Å; S590-A594 PolarHBondContact O-N 3.23Å |
| 591 | N | 57.2 | Low | 58.5 | Low | 99 Ų | 99 | 95.9 Ų | 95.9 | 53% | 0.529 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -73 | -40 | 177.3 | -74.6 | -19.2 | 0 | 0 | 0 | 111.4 | N587 E588 E593 A594 D595 | N587-N591 PolarHBondContact O-N 3.07Å; N587-N591 PolarHBondContact O-ND2 3.34Å; E588-N591 PolarHBondContact O-N 3.45Å; N591-E593 VanDerWaalsContact C-N 3.35Å; N591-E593 PolarHBondContact O-N 2.93Å; N591-A594 PolarHBondContact O-N 2.86Å; N591-D595 WeakPolarHBondContact O-CB 3.39Å; N591-D595 PolarHBondContact O-N 3.49Å |
| 592 | A | 60.2 | Low | 60.9 | Low | 55 Ų | 55 | 88 Ų | 88 | 46% | 0.455 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.3 | -37.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | E588 M596 | E588-A592 PolarHBondContact O-N 2.79Å; A592-M596 WeakPolarHBondContact O-CB 3.33Å; A592-M596 VanDerWaalsContact O-CG 3.26Å; A592-M596 WeakPolarHBondContact O-CG 3.08Å; A592-M596 PolarHBondContact O-N 2.76Å |
| 593 | E | 67.1 | Low | 63.4 | Low | 144 Ų | 144 | 82.4 Ų | 82.4 | 67% | 0.673 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -68.3 | -42.6 | 172.9 | -69.5 | -174 | 158.3 | 0 | 0 | 111.7 | M589 N591 M596 D597 | M589-E593 PolarHBondContact O-N 3.18Å; N591-E593 VanDerWaalsContact C-N 3.35Å; N591-E593 PolarHBondContact O-N 2.93Å; E593-M596 PolarHBondContact O-N 3.18Å; E593-D597 PolarHBondContact O-N 3.02Å; E593-D597 VanDerWaalsContact O-N 3.1Å |
| 594 | A | 70.5 | Confident | 65.8 | Low | 59 Ų | 59 | 82.9 Ų | 82.9 | 49% | 0.488 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64 | -42.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | S590 N591 D597 E598 | S590-A594 WeakPolarHBondContact O-CB 3.41Å; S590-A594 PolarHBondContact O-N 3.23Å; N591-A594 PolarHBondContact O-N 2.86Å; A594-D597 PolarHBondContact O-N 3.17Å; A594-E598 PolarHBondContact O-N 3.23Å |
| 595 | D | 76.9 | Confident | 68.2 | Low | 50 Ų | 50 | 79.5 Ų | 79.5 | 27% | 0.267 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.1 | -41.8 | 174.7 | -82.1 | -27.1 | 0 | 0 | 0 | 111.5 | N591 D597 E598 L599 R635 I636 | N591-D595 WeakPolarHBondContact O-CB 3.39Å; N591-D595 PolarHBondContact O-N 3.49Å; D595-D597 VanDerWaalsContact C-N 3.34Å; D595-D597 PolarHBondContact O-N 3.37Å; D595-E598 PolarHBondContact O-N 3.37Å; D595-L599 PolarHBondContact O-N 3.48Å; D595-R635 IonicContact OD1-CZ 2.85Å; D595-R635 IonicContact OD1-NH1 3.58Å; D595-R635 PolarHBondContact OD1-NH1 2.83Å; D595-R635 IonicContact OD1-NH2 2.77Å; D595-R635 PolarHBondContact OD1-NH2 3.06Å; D595-R635 IonicContact OD2-NH1 2.75Å; D595-I636 HydrophobicContact CB-CD1 4.17Å; D595-I636 HydrophobicContact CB-CG1 4.26Å; D595-I636 HydrophobicContact CB-CG2 4.48Å; D595-I636 WeakPolarHBondContact O-CD1 3.44Å |
| 596 | M | 79.9 | Confident | 70.4 | Confident | 33 Ų | 33 | 74.8 Ų | 74.8 | 16% | 0.163 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -66.7 | -32.1 | 178.9 | -75.5 | -62.2 | -57.5 | 0 | 0 | 113.3 | A592 E593 L599 R600 I636 L722 L726 | A592-M596 WeakPolarHBondContact O-CB 3.33Å; A592-M596 VanDerWaalsContact O-CG 3.26Å; A592-M596 WeakPolarHBondContact O-CG 3.08Å; A592-M596 PolarHBondContact O-N 2.76Å; E593-M596 PolarHBondContact O-N 3.18Å; M596-L599 HydrophobicContact SD-CD2 4.37Å; M596-R600 WeakPolarHBondContact O-CB 3.09Å; M596-R600 PolarHBondContact O-N 3.17Å; M596-I636 HydrophobicContact SD-CG2 4.46Å; M596-L722 HydrophobicContact CE-CD2 3.87Å; M596-L726 HydrophobicContact CE-CD2 3.85Å |
| 597 | D | 79.9 | Confident | 72.7 | Confident | 92 Ų | 92 | 69 Ų | 69 | 49% | 0.492 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -80.2 | -26.2 | 172.5 | -83.5 | -18.1 | 0 | 0 | 0 | 113.2 | E593 A594 D595 R600 S601 | E593-D597 PolarHBondContact O-N 3.02Å; E593-D597 VanDerWaalsContact O-N 3.1Å; A594-D597 PolarHBondContact O-N 3.17Å; D595-D597 VanDerWaalsContact C-N 3.34Å; D595-D597 PolarHBondContact O-N 3.37Å; D597-R600 WeakPolarHBondContact O-CB 3.18Å; D597-R600 PolarHBondContact O-N 2.82Å; D597-R600 IonicContact OD1-CZ 3.37Å; D597-R600 IonicContact OD1-NE 3.01Å; D597-R600 PolarHBondContact OD1-NE 2.84Å; D597-R600 IonicContact OD1-NH2 2.75Å; D597-R600 PolarHBondContact OD1-NH2 3.4Å; D597-S601 WeakPolarHBondContact O-CB 3.18Å; D597-S601 PolarHBondContact O-N 3.3Å |
| 598 | E | 84.6 | Confident | 75 | Confident | 88 Ų | 88 | 67.9 Ų | 67.9 | 41% | 0.411 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.7 | -46.6 | 166.1 | -170.8 | -174.8 | 115.9 | 0 | 0 | 110.9 | A594 D595 R600 S601 A602 V632 R635 | A594-E598 PolarHBondContact O-N 3.23Å; D595-E598 PolarHBondContact O-N 3.37Å; E598-R600 VanDerWaalsContact C-N 3.28Å; E598-R600 PolarHBondContact O-N 3.08Å; E598-S601 PolarHBondContact O-N 3.14Å; E598-A602 WeakPolarHBondContact O-CB 3.2Å; E598-A602 PolarHBondContact O-N 2.87Å; E598-V632 HydrophobicContact CG-CG1 4.38Å; E598-R635 IonicContact OE1-CZ 3.93Å; E598-R635 IonicContact OE1-NE 3.79Å; E598-R635 IonicContact OE1-NH2 3.21Å; E598-R635 PolarHBondContact OE1-NH2 3.11Å; E598-R635 IonicContact OE2-NH2 3.45Å; E598-R635 PolarHBondContact OE2-NH2 2.99Å; E598-R635 VanDerWaalsContact OE2-NH2 3.08Å |
| 599 | L | 84.1 | Confident | 77 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.6 | -39.7 | 175.4 | -176.3 | 61.5 | 0 | 0 | 0 | 111.6 | D595 M596 T603 V632 L633 I636 L637 L726 L730 | D595-L599 PolarHBondContact O-N 3.48Å; M596-L599 HydrophobicContact SD-CD2 4.37Å; L599-T603 WeakPolarHBondContact O-CB 3.2Å; L599-T603 PolarHBondContact O-N 3.4Å; L599-T603 PolarHBondContact O-OG1 3.22Å; L599-V632 HydrophobicContact CD1-CG1 4.16Å; L599-L633 HydrophobicContact CD1-CD1 4.35Å; L599-I636 HydrophobicContact CB-CD1 3.85Å; L599-I636 HydrophobicContact CD2-CG2 4.16Å; L599-L637 HydrophobicContact CD2-CD1 4.05Å; L599-L637 HydrophobicContact CD2-CG 4.27Å; L599-L726 HydrophobicContact CD2-CD2 4.45Å; L599-L730 HydrophobicContact CD1-CD2 4.06Å; L599-L730 HydrophobicContact CD2-CD1 4.16Å; L599-L730 HydrophobicContact CD2-CD2 4.47Å; L599-L730 HydrophobicContact CG-CD2 4.25Å |
| 600 | R | 85.6 | Confident | 79 | Confident | 75 Ų | 75 | 58.5 Ų | 58.5 | 28% | 0.283 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.2 | -54.4 | 171.9 | -177.9 | -165.3 | -51 | -72 | -4.4 | 111.1 | M596 D597 E598 A602 T603 E604 L726 | M596-R600 WeakPolarHBondContact O-CB 3.09Å; M596-R600 PolarHBondContact O-N 3.17Å; D597-R600 WeakPolarHBondContact O-CB 3.18Å; D597-R600 PolarHBondContact O-N 2.82Å; D597-R600 IonicContact OD1-CZ 3.37Å; D597-R600 IonicContact OD1-NE 3.01Å; D597-R600 PolarHBondContact OD1-NE 2.84Å; D597-R600 IonicContact OD1-NH2 2.75Å; D597-R600 PolarHBondContact OD1-NH2 3.4Å; E598-R600 VanDerWaalsContact C-N 3.28Å; E598-R600 PolarHBondContact O-N 3.08Å; R600-A602 VanDerWaalsContact C-N 3.34Å; R600-A602 PolarHBondContact O-N 3.44Å; R600-T603 PolarHBondContact O-N 2.74Å; R600-T603 VanDerWaalsContact O-N 3.16Å; R600-E604 WeakPolarHBondContact CD-OE1 3.43Å; R600-E604 HydrophobicContact CG-CG 4.41Å; R600-E604 WeakPolarHBondContact CG-OE1 3.29Å; R600-E604 WeakPolarHBondContact O-CB 3.33Å; R600-E604 WeakPolarHBondContact O-CG 3.44Å; R600-E604 PolarHBondContact O-N 3.06Å; R600-L726 HydrophobicContact CB-CD1 4.38Å |
| 601 | S | 85.3 | Confident | 80.9 | Confident | 74 Ų | 74 | 62.1 Ų | 62.1 | 52% | 0.517 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.2 | -43.4 | -178.1 | -171.1 | 0 | 0 | 0 | 0 | 112.2 | D597 E598 Q605 | D597-S601 WeakPolarHBondContact O-CB 3.18Å; D597-S601 PolarHBondContact O-N 3.3Å; E598-S601 PolarHBondContact O-N 3.14Å; S601-Q605 WeakPolarHBondContact O-CB 3.4Å; S601-Q605 PolarHBondContact O-N 3.34Å |
| 602 | A | 86.1 | Confident | 82.3 | Confident | 19 Ų | 19 | 60.8 Ų | 60.8 | 16% | 0.157 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.1 | -38.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | E598 R600 A606 V632 | E598-A602 WeakPolarHBondContact O-CB 3.2Å; E598-A602 PolarHBondContact O-N 2.87Å; R600-A602 VanDerWaalsContact C-N 3.34Å; R600-A602 PolarHBondContact O-N 3.44Å; A602-A606 WeakPolarHBondContact O-CB 3.25Å; A602-A606 PolarHBondContact O-N 3.23Å; A602-V632 HydrophobicContact CB-CB 4.17Å; A602-V632 HydrophobicContact CB-CG1 3.97Å; A602-V632 HydrophobicContact CB-CG2 4.09Å |
| 603 | T | 87 | Confident | 83.4 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -70.4 | -43.3 | 178.6 | -61.4 | 0 | 0 | 0 | 0 | 111.8 | L599 R600 Q605 A606 V607 W629 L726 N729 L730 L733 | L599-T603 WeakPolarHBondContact O-CB 3.2Å; L599-T603 PolarHBondContact O-N 3.4Å; L599-T603 PolarHBondContact O-OG1 3.22Å; R600-T603 PolarHBondContact O-N 2.74Å; R600-T603 VanDerWaalsContact O-N 3.16Å; T603-Q605 VanDerWaalsContact C-N 3.35Å; T603-A606 PolarHBondContact O-N 3.13Å; T603-V607 WeakPolarHBondContact O-CB 3.42Å; T603-V607 WeakPolarHBondContact O-CG2 3.44Å; T603-V607 PolarHBondContact O-N 2.99Å; T603-W629 PolarHBondContact OG1-NE1 3Å; T603-W629 VanDerWaalsContact OG1-NE1 3.1Å; T603-L726 HydrophobicContact CG2-CD1 3.9Å; T603-N729 HydrophobicContact CG2-CB 3.55Å; T603-L730 HydrophobicContact CG2-CD2 4.04Å; T603-L730 HydrophobicContact CG2-CG 4.33Å; T603-L730 VanDerWaalsContact OG1-CD2 3.24Å; T603-L730 WeakPolarHBondContact OG1-CD2 3.44Å; T603-L733 HydrophobicContact CG2-CD1 3.93Å |
| 604 | E | 87.7 | Confident | 84 | Confident | 106 Ų | 106 | 61.7 Ų | 61.7 | 50% | 0.495 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.3 | -38.9 | 174.3 | -72.2 | 177.8 | -161.1 | 0 | 0 | 111.5 | R600 S608 | R600-E604 WeakPolarHBondContact CD-OE1 3.43Å; R600-E604 HydrophobicContact CG-CG 4.41Å; R600-E604 WeakPolarHBondContact CG-OE1 3.29Å; R600-E604 WeakPolarHBondContact O-CB 3.33Å; R600-E604 WeakPolarHBondContact O-CG 3.44Å; R600-E604 PolarHBondContact O-N 3.06Å; E604-S608 WeakPolarHBondContact O-CB 3.29Å; E604-S608 PolarHBondContact O-N 3.15Å |
| 605 | Q | 87.5 | Confident | 84.6 | Confident | 97 Ų | 97 | 60.4 Ų | 60.4 | 45% | 0.453 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.6 | -52.5 | 172.7 | 176.7 | 174 | -41 | 0 | 0 | 111.6 | S601 T603 V607 S608 Q609 | S601-Q605 WeakPolarHBondContact O-CB 3.4Å; S601-Q605 PolarHBondContact O-N 3.34Å; T603-Q605 VanDerWaalsContact C-N 3.35Å; Q605-V607 PolarHBondContact O-N 2.89Å; Q605-S608 WeakPolarHBondContact O-CB 3.2Å; Q605-S608 PolarHBondContact O-N 3.23Å; Q605-S608 PolarHBondContact O-OG 3.01Å; Q605-Q609 PolarHBondContact O-N 3.45Å |
| 606 | A | 86.9 | Confident | 84.9 | Confident | 2 Ų | 2 | 61.6 Ų | 61.6 | 2% | 0.017 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.9 | -43.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A602 T603 S608 Q609 I610 W629 L733 | A602-A606 WeakPolarHBondContact O-CB 3.25Å; A602-A606 PolarHBondContact O-N 3.23Å; T603-A606 PolarHBondContact O-N 3.13Å; A606-S608 VanDerWaalsContact C-N 3.29Å; A606-S608 PolarHBondContact O-N 2.87Å; A606-Q609 PolarHBondContact O-N 2.93Å; A606-I610 WeakPolarHBondContact O-CB 3.41Å; A606-I610 VanDerWaalsContact O-CG1 3.28Å; A606-I610 WeakPolarHBondContact O-CG1 3.44Å; A606-I610 PolarHBondContact O-N 3.33Å; A606-W629 HydrophobicContact CB-CB 3.95Å; A606-W629 HydrophobicContact CB-CG 4.15Å; A606-L733 HydrophobicContact CB-CD1 3.75Å; A606-L733 HydrophobicContact CB-CD2 4.28Å |
| 607 | V | 87.5 | Confident | 85 | Confident | 22 Ų | 22 | 66.8 Ų | 66.8 | 13% | 0.133 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -59.6 | -39.5 | 172.2 | 168.2 | 0 | 0 | 0 | 0 | 111.2 | T603 Q605 I610 Q611 N729 L733 | T603-V607 WeakPolarHBondContact O-CB 3.42Å; T603-V607 WeakPolarHBondContact O-CG2 3.44Å; T603-V607 PolarHBondContact O-N 2.99Å; Q605-V607 PolarHBondContact O-N 2.89Å; V607-I610 PolarHBondContact O-N 3.27Å; V607-Q611 WeakPolarHBondContact O-CG 3.49Å; V607-Q611 PolarHBondContact O-N 3.44Å; V607-N729 HydrophobicContact CG2-CB 4.11Å; V607-L733 HydrophobicContact CG2-CD1 4.2Å; V607-L733 HydrophobicContact CG2-CD2 4.12Å; V607-L733 HydrophobicContact CG2-CG 4.17Å |
| 608 | S | 86.8 | Confident | 85.1 | Confident | 73 Ų | 73 | 65.5 Ų | 65.5 | 51% | 0.51 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -67.9 | -34.1 | 177.9 | 80.2 | 0 | 0 | 0 | 0 | 113.7 | E604 Q605 A606 | E604-S608 WeakPolarHBondContact O-CB 3.29Å; E604-S608 PolarHBondContact O-N 3.15Å; Q605-S608 WeakPolarHBondContact O-CB 3.2Å; Q605-S608 PolarHBondContact O-N 3.23Å; Q605-S608 PolarHBondContact O-OG 3.01Å; A606-S608 VanDerWaalsContact C-N 3.29Å; A606-S608 PolarHBondContact O-N 2.87Å |
| 609 | Q | 85.8 | Confident | 84.9 | Confident | 54 Ų | 54 | 64.6 Ų | 64.6 | 25% | 0.252 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -67.5 | -42.6 | 173.1 | -67.9 | 175.9 | -2.5 | 0 | 0 | 110.9 | Q605 A606 Q611 D612 A625 E628 | Q605-Q609 PolarHBondContact O-N 3.45Å; A606-Q609 PolarHBondContact O-N 2.93Å; Q609-Q611 VanDerWaalsContact C-N 3.3Å; Q609-Q611 PolarHBondContact O-N 3.07Å; Q609-D612 PolarHBondContact O-N 3.5Å; Q609-A625 HydrophobicContact CB-CB 4.38Å; Q609-E628 PolarHBondContact NE2-OE2 2.94Å |
| 610 | I | 86.6 | Confident | 84.8 | Confident | 16 Ų | 16 | 68.2 Ų | 68.2 | 8% | 0.082 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -77.6 | -15.3 | -175 | -65.1 | 170 | 0 | 0 | 0 | 112.5 | A606 V607 D612 L616 L622 A625 L626 L733 L736 | A606-I610 WeakPolarHBondContact O-CB 3.41Å; A606-I610 VanDerWaalsContact O-CG1 3.28Å; A606-I610 WeakPolarHBondContact O-CG1 3.44Å; A606-I610 PolarHBondContact O-N 3.33Å; V607-I610 PolarHBondContact O-N 3.27Å; I610-D612 PolarHBondContact O-N 2.77Å; I610-L616 HydrophobicContact CG2-CB 4.48Å; I610-L616 HydrophobicContact CG2-CD1 3.92Å; I610-L622 HydrophobicContact CB-CD1 4.44Å; I610-L622 HydrophobicContact CD1-CD1 3.67Å; I610-L622 HydrophobicContact CG1-CD1 3.59Å; I610-L622 HydrophobicContact CG2-CD1 4.05Å; I610-A625 HydrophobicContact CG1-CB 4.3Å; I610-L626 HydrophobicContact CD1-CD2 3.89Å; I610-L626 HydrophobicContact CD1-CG 4.15Å; I610-L733 HydrophobicContact CD1-CD2 3.54Å; I610-L736 HydrophobicContact CG2-CD1 4.35Å |
| 611 | Q | 86 | Confident | 84.7 | Confident | 147 Ų | 147 | 66.8 Ų | 66.8 | 69% | 0.687 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -14.6 | 168.1 | -79.1 | 176.4 | 32.2 | 0 | 0 | 113.8 | V607 Q609 P613 | V607-Q611 WeakPolarHBondContact O-CG 3.49Å; V607-Q611 PolarHBondContact O-N 3.44Å; Q609-Q611 VanDerWaalsContact C-N 3.3Å; Q609-Q611 PolarHBondContact O-N 3.07Å; Q611-P613 WeakPolarHBondContact O-CD 3.28Å |
| 612 | D | 87 | Confident | 84.6 | Confident | 70 Ų | 70 | 63.7 Ų | 63.7 | 37% | 0.374 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -77.4 | 117.5 | 168.2 | -169.5 | -25.6 | 0 | 0 | 0 | 109.9 | Q609 I610 L614 V615 L616 | Q609-D612 PolarHBondContact O-N 3.5Å; I610-D612 PolarHBondContact O-N 2.77Å; D612-L614 PolarHBondContact O-N 3.12Å; D612-L614 VanDerWaalsContact O-N 3.12Å; D612-L614 VanDerWaalsContact OD1-CB 3.3Å; D612-L614 WeakPolarHBondContact OD1-CB 3.48Å; D612-L614 WeakPolarHBondContact OD1-CG 3.47Å; D612-L614 PolarHBondContact OD1-N 3.36Å; D612-V615 HydrophobicContact CB-CB 4.32Å; D612-V615 HydrophobicContact CB-CG2 4Å; D612-V615 PolarHBondContact O-N 3.03Å; D612-L616 PolarHBondContact O-N 2.84Å |
| 613 | P | 82.5 | Confident | 84.4 | Confident | 81 Ų | 81 | 65.7 Ų | 65.7 | 53% | 0.526 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.9 | -16.9 | 178 | 27.9 | -36.5 | 0 | 0 | 0 | 113.6 | Q611 L617 | Q611-P613 WeakPolarHBondContact O-CD 3.28Å; P613-L617 VanDerWaalsContact O-CB 3.26Å; P613-L617 WeakPolarHBondContact O-CB 3.44Å; P613-L617 WeakPolarHBondContact O-CD1 3.39Å; P613-L617 WeakPolarHBondContact O-CG 3.38Å; P613-L617 PolarHBondContact O-N 2.85Å |
| 614 | L | 80.2 | Confident | 84.3 | Confident | 137 Ų | 137 | 71.5 Ų | 71.5 | 72% | 0.717 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -74.6 | -32.5 | 172 | -60.3 | 176.5 | 0 | 0 | 0 | 112.1 | D612 | D612-L614 PolarHBondContact O-N 3.12Å; D612-L614 VanDerWaalsContact O-N 3.12Å; D612-L614 VanDerWaalsContact OD1-CB 3.3Å; D612-L614 WeakPolarHBondContact OD1-CB 3.48Å; D612-L614 WeakPolarHBondContact OD1-CG 3.47Å; D612-L614 PolarHBondContact OD1-N 3.36Å |
| 615 | V | 82.4 | Confident | 84 | Confident | 32 Ų | 32 | 66.7 Ų | 66.7 | 19% | 0.194 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -77.9 | -48.5 | 175.3 | 177.3 | 0 | 0 | 0 | 0 | 109.9 | D612 L617 D618 C621 A625 | D612-V615 HydrophobicContact CB-CB 4.32Å; D612-V615 HydrophobicContact CB-CG2 4Å; D612-V615 PolarHBondContact O-N 3.03Å; V615-L617 VanDerWaalsContact C-N 3.26Å; V615-L617 PolarHBondContact O-N 2.98Å; V615-D618 PolarHBondContact O-N 3.38Å; V615-C621 HydrophobicContact CG1-CB 4.3Å; V615-A625 HydrophobicContact CG1-CB 4.39Å |
| 616 | L | 83.7 | Confident | 83.9 | Confident | 76 Ų | 76 | 62.1 Ų | 62.1 | 40% | 0.398 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.7 | -29 | -178.9 | 177.7 | 62 | 0 | 0 | 0 | 113.9 | I610 D612 L622 | I610-L616 HydrophobicContact CG2-CB 4.48Å; I610-L616 HydrophobicContact CG2-CD1 3.92Å; D612-L616 PolarHBondContact O-N 2.84Å; L616-L622 HydrophobicContact CD1-CD2 4.15Å |
| 617 | L | 81.3 | Confident | 83.7 | Confident | 141 Ų | 141 | 66 Ų | 66 | 74% | 0.738 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -9.2 | -179 | -63.5 | 175.8 | 0 | 0 | 0 | 114.2 | P613 V615 | P613-L617 VanDerWaalsContact O-CB 3.26Å; P613-L617 WeakPolarHBondContact O-CB 3.44Å; P613-L617 WeakPolarHBondContact O-CD1 3.39Å; P613-L617 WeakPolarHBondContact O-CG 3.38Å; P613-L617 PolarHBondContact O-N 2.85Å; V615-L617 VanDerWaalsContact C-N 3.26Å; V615-L617 PolarHBondContact O-N 2.98Å |
| 618 | D | 83.3 | Confident | 83.4 | Confident | 66 Ų | 66 | 70.6 Ų | 70.6 | 35% | 0.353 | 38% | 0.378 | S | S | . | . | trans | -100.1 | 112.1 | 172.3 | -167.3 | -43.5 | 0 | 0 | 0 | 110.3 | V615 V620 C621 L622 | V615-D618 PolarHBondContact O-N 3.38Å; D618-V620 PolarHBondContact O-N 2.98Å; D618-V620 VanDerWaalsContact O-N 3.09Å; D618-V620 WeakPolarHBondContact OD1-CA 3.29Å; D618-V620 VanDerWaalsContact OD1-CB 3.3Å; D618-V620 WeakPolarHBondContact OD1-CB 3.18Å; D618-V620 PolarHBondContact OD1-N 3.26Å; D618-C621 HydrophobicContact CB-CB 4.18Å; D618-C621 PolarHBondContact O-N 2.8Å; D618-L622 VanDerWaalsContact O-CB 3.3Å; D618-L622 WeakPolarHBondContact O-CB 3.28Å; D618-L622 PolarHBondContact O-N 2.85Å | ||
| 619 | P | 80.1 | Confident | 83.6 | Confident | 68 Ų | 68 | 67.3 Ų | 67.3 | 44% | 0.442 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -3.5 | -177.4 | 31.7 | -37 | 0 | 0 | 0 | 113.9 | R744 | P619-R744 PolarHBondContact O-NH2 3.14Š|
| 620 | V | 82.1 | Confident | 83.5 | Confident | 76 Ų | 76 | 65.4 Ų | 65.4 | 46% | 0.461 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -57 | 168.1 | -175.6 | 0 | 0 | 0 | 0 | 109.7 | D618 L622 K623 E624 | D618-V620 PolarHBondContact O-N 2.98Å; D618-V620 VanDerWaalsContact O-N 3.09Å; D618-V620 WeakPolarHBondContact OD1-CA 3.29Å; D618-V620 VanDerWaalsContact OD1-CB 3.3Å; D618-V620 WeakPolarHBondContact OD1-CB 3.18Å; D618-V620 PolarHBondContact OD1-N 3.26Å; V620-L622 VanDerWaalsContact C-N 3.29Å; V620-L622 PolarHBondContact O-N 3.03Å; V620-K623 WeakPolarHBondContact O-CA 3.43Å; V620-K623 WeakPolarHBondContact O-CB 3.36Å; V620-K623 PolarHBondContact O-N 3.45Å; V620-E624 PolarHBondContact O-N 3.11Å |
| 621 | C | 83 | Confident | 83.3 | Confident | 46 Ų | 46 | 68.3 Ų | 68.3 | 31% | 0.311 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.6 | -35.7 | -179.3 | -62.1 | 0 | 0 | 0 | 0 | 112.5 | V615 D618 K623 E624 A625 | V615-C621 HydrophobicContact CG1-CB 4.3Å; D618-C621 HydrophobicContact CB-CB 4.18Å; D618-C621 PolarHBondContact O-N 2.8Å; C621-K623 VanDerWaalsContact C-N 3.32Å; C621-K623 PolarHBondContact O-N 3.43Å; C621-E624 PolarHBondContact O-N 2.6Å; C621-A625 PolarHBondContact O-N 3.46Å |
| 622 | L | 83.9 | Confident | 83.2 | Confident | 8 Ų | 8 | 62.4 Ų | 62.4 | 4% | 0.042 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.1 | -32.2 | 172.7 | -173 | 56.9 | 0 | 0 | 0 | 112.6 | I610 L616 D618 V620 L626 L740 | I610-L622 HydrophobicContact CB-CD1 4.44Å; I610-L622 HydrophobicContact CD1-CD1 3.67Å; I610-L622 HydrophobicContact CG1-CD1 3.59Å; I610-L622 HydrophobicContact CG2-CD1 4.05Å; L616-L622 HydrophobicContact CD1-CD2 4.15Å; D618-L622 VanDerWaalsContact O-CB 3.3Å; D618-L622 WeakPolarHBondContact O-CB 3.28Å; D618-L622 PolarHBondContact O-N 2.85Å; V620-L622 VanDerWaalsContact C-N 3.29Å; V620-L622 PolarHBondContact O-N 3.03Å; L622-L626 HydrophobicContact CD1-CD1 4.24Å; L622-L626 HydrophobicContact CG-CD1 4.21Å; L622-L626 WeakPolarHBondContact O-CB 3.2Å; L622-L626 WeakPolarHBondContact O-CD1 3.27Å; L622-L626 WeakPolarHBondContact O-CG 3.23Å; L622-L626 PolarHBondContact O-N 3.03Å; L622-L740 HydrophobicContact CD2-CD1 3.66Å; L622-L740 HydrophobicContact CD2-CD2 4.09Å; L622-L740 HydrophobicContact CD2-CG 4.38Å; L622-L740 HydrophobicContact CG-CD1 3.65Å |
| 623 | K | 81.8 | Confident | 83.1 | Confident | 62 Ų | 62 | 59.1 Ų | 59.1 | 27% | 0.27 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -70.3 | -41.8 | 172.1 | -173.4 | 171.8 | -175.1 | 178.1 | 0 | 110.6 | V620 C621 L626 M627 E748 | V620-K623 WeakPolarHBondContact O-CA 3.43Å; V620-K623 WeakPolarHBondContact O-CB 3.36Å; V620-K623 PolarHBondContact O-N 3.45Å; C621-K623 VanDerWaalsContact C-N 3.32Å; C621-K623 PolarHBondContact O-N 3.43Å; K623-L626 PolarHBondContact O-N 3.29Å; K623-M627 HydrophobicContact CG-CG 3.94Å; K623-M627 VanDerWaalsContact O-CB 3.3Å; K623-M627 WeakPolarHBondContact O-CB 3.5Å; K623-M627 WeakPolarHBondContact O-CG 3.34Å; K623-M627 PolarHBondContact O-N 2.8Å; K623-E748 IonicContact NZ-OE1 3.08Å; K623-E748 PolarHBondContact NZ-OE1 2.89Å |
| 624 | E | 83.5 | Confident | 83.1 | Confident | 122 Ų | 122 | 58 Ų | 58 | 57% | 0.57 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -58.6 | -50.6 | 176.9 | -68.3 | 172 | 158.2 | 0 | 0 | 111.1 | V620 C621 L626 M627 E628 | V620-E624 PolarHBondContact O-N 3.11Å; C621-E624 PolarHBondContact O-N 2.6Å; E624-L626 PolarHBondContact O-N 2.8Å; E624-M627 PolarHBondContact O-N 2.97Å; E624-E628 PolarHBondContact O-N 3.06Å |
| 625 | A | 83.1 | Confident | 83.2 | Confident | 5 Ų | 5 | 56.2 Ų | 56.2 | 4% | 0.041 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -56.1 | -44.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q609 I610 V615 C621 E628 | Q609-A625 HydrophobicContact CB-CB 4.38Å; I610-A625 HydrophobicContact CG1-CB 4.3Å; V615-A625 HydrophobicContact CG1-CB 4.39Å; C621-A625 PolarHBondContact O-N 3.46Å; A625-E628 PolarHBondContact O-N 2.97Å |
| 626 | L | 84.8 | Confident | 83.1 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -74.9 | -27.9 | 179.4 | -69.6 | 168.1 | 0 | 0 | 0 | 112.9 | I610 L622 K623 E624 W629 L630 L733 L736 Y737 L740 | I610-L626 HydrophobicContact CD1-CD2 3.89Å; I610-L626 HydrophobicContact CD1-CG 4.15Å; L622-L626 HydrophobicContact CD1-CD1 4.24Å; L622-L626 HydrophobicContact CG-CD1 4.21Å; L622-L626 WeakPolarHBondContact O-CB 3.2Å; L622-L626 WeakPolarHBondContact O-CD1 3.27Å; L622-L626 WeakPolarHBondContact O-CG 3.23Å; L622-L626 PolarHBondContact O-N 3.03Å; K623-L626 PolarHBondContact O-N 3.29Å; E624-L626 PolarHBondContact O-N 2.8Å; L626-W629 HydrophobicContact CD2-CE3 4.18Å; L626-W629 HydrophobicContact CD2-CZ3 4.49Å; L626-W629 PolarHBondContact O-N 3.32Å; L626-L630 WeakPolarHBondContact O-CB 3.26Å; L626-L630 PolarHBondContact O-N 2.85Å; L626-L733 HydrophobicContact CD2-CB 4.15Å; L626-L733 HydrophobicContact CD2-CD2 3.93Å; L626-L736 HydrophobicContact CD1-CB 4.3Å; L626-Y737 HydrophobicContact CB-CD2 4.19Å; L626-L740 HydrophobicContact CD1-CD1 3.44Å; L626-L740 VanDerWaalsContact CD1-CD1 3.44Å |
| 627 | M | 82.5 | Confident | 82.9 | Confident | 84 Ų | 84 | 52.5 Ų | 52.5 | 41% | 0.414 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -77.4 | -20.1 | 175.1 | -70 | -62.6 | -57.4 | 0 | 0 | 113.3 | K623 E624 L630 P631 Y737 | K623-M627 HydrophobicContact CG-CG 3.94Å; K623-M627 VanDerWaalsContact O-CB 3.3Å; K623-M627 WeakPolarHBondContact O-CB 3.5Å; K623-M627 WeakPolarHBondContact O-CG 3.34Å; K623-M627 PolarHBondContact O-N 2.8Å; E624-M627 PolarHBondContact O-N 2.97Å; M627-L630 HydrophobicContact CE-CD2 4.39Å; M627-L630 HydrophobicContact SD-CD2 3.97Å; M627-P631 WeakPolarHBondContact O-CD 3.35Å; M627-Y737 HydrophobicContact SD-CE2 4.07Å |
| 628 | E | 81.6 | Confident | 82.6 | Confident | 118 Ų | 118 | 46.5 Ų | 46.5 | 55% | 0.551 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -69.2 | -36.7 | 165.1 | -69.1 | -168.6 | 155.4 | 0 | 0 | 111.5 | Q609 E624 A625 | Q609-E628 PolarHBondContact NE2-OE2 2.94Å; E624-E628 PolarHBondContact O-N 3.06Å; A625-E628 PolarHBondContact O-N 2.97Å |
| 629 | W | 89.7 | Confident | 81.7 | Confident | 3 Ų | 3 | 44.4 Ų | 44.4 | 1% | 0.011 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -82.6 | -40.4 | -176.4 | 168.6 | 81.1 | 0 | 0 | 0 | 114 | T603 A606 L626 P631 V632 L633 L730 L733 A734 | T603-W629 PolarHBondContact OG1-NE1 3Å; T603-W629 VanDerWaalsContact OG1-NE1 3.1Å; A606-W629 HydrophobicContact CB-CB 3.95Å; A606-W629 HydrophobicContact CB-CG 4.15Å; L626-W629 HydrophobicContact CD2-CE3 4.18Å; L626-W629 HydrophobicContact CD2-CZ3 4.49Å; L626-W629 PolarHBondContact O-N 3.32Å; W629-P631 VanDerWaalsContact C-CD 3.49Å; W629-V632 WeakPolarHBondContact O-CB 3.47Å; W629-V632 PolarHBondContact O-N 2.8Å; W629-L633 HydrophobicContact CH2-CD1 4.23Å; W629-L633 HydrophobicContact CH2-CD2 3.7Å; W629-L633 HydrophobicContact CH2-CG 4.41Å; W629-L633 HydrophobicContact CZ2-CB 4.45Å; W629-L633 HydrophobicContact CZ2-CD1 3.85Å; W629-L633 HydrophobicContact CZ2-CD2 4.15Å; W629-L633 HydrophobicContact CZ2-CG 4.38Å; W629-L633 HydrophobicContact CZ3-CD2 4.11Å; W629-L633 PolarHBondContact O-N 3.07Å; W629-L730 HydrophobicContact CZ2-CD2 3.81Å; W629-L733 HydrophobicContact CD2-CB 4.27Å; W629-L733 HydrophobicContact CD2-CD1 3.88Å; W629-L733 VanDerWaalsContact CE2-CD1 3.5Å; W629-L733 HydrophobicContact CE3-CB 4.21Å; W629-L733 HydrophobicContact CG-CD1 4.1Å; W629-L733 HydrophobicContact CH2-CB 3.52Å; W629-L733 HydrophobicContact CZ2-CB 3.57Å; W629-L733 HydrophobicContact CZ2-CD1 3.9Å; W629-L733 HydrophobicContact CZ2-CG 4.4Å; W629-L733 HydrophobicContact CZ3-CB 3.86Å; W629-A734 HydrophobicContact CH2-CB 4.09Å |
| 630 | L | 84.4 | Confident | 80.3 | Confident | 14 Ų | 14 | 44.5 Ų | 44.5 | 7% | 0.073 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -52.8 | -42.9 | -174.1 | 177 | 66.5 | 0 | 0 | 0 | 114.5 | L626 M627 V632 L633 E634 Y737 F755 | L626-L630 WeakPolarHBondContact O-CB 3.26Å; L626-L630 PolarHBondContact O-N 2.85Å; M627-L630 HydrophobicContact CE-CD2 4.39Å; M627-L630 HydrophobicContact SD-CD2 3.97Å; L630-V632 VanDerWaalsContact C-N 3.26Å; L630-V632 PolarHBondContact O-N 3.25Å; L630-L633 HydrophobicContact CD1-CD2 4.38Å; L630-L633 WeakPolarHBondContact O-CB 3.31Å; L630-L633 PolarHBondContact O-N 3.17Å; L630-L633 VanDerWaalsContact O-N 3.17Å; L630-E634 HydrophobicContact CD1-CG 3.88Å; L630-E634 HydrophobicContact CG-CG 4.17Å; L630-E634 WeakPolarHBondContact O-CG 3.46Å; L630-E634 PolarHBondContact O-N 2.81Å; L630-Y737 HydrophobicContact CD2-CE1 4.36Å; L630-Y737 HydrophobicContact CD2-CE2 3.86Å; L630-F755 HydrophobicContact CD1-CD2 4.3Å; L630-F755 HydrophobicContact CD1-CE2 3.64Å |
| 631 | P | 83.1 | Confident | 78.5 | Confident | 77 Ų | 77 | 44.5 Ų | 44.5 | 50% | 0.5 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.2 | -31.3 | 179.2 | -24.2 | 35.5 | 0 | 0 | 0 | 113.7 | M627 W629 R635 | M627-P631 WeakPolarHBondContact O-CD 3.35Å; W629-P631 VanDerWaalsContact C-CD 3.49Å; P631-R635 VanDerWaalsContact O-CB 3.25Å; P631-R635 WeakPolarHBondContact O-CB 3.31Å; P631-R635 PolarHBondContact O-N 3.37Å |
| 632 | V | 83 | Confident | 76.7 | Confident | 24 Ų | 24 | 45.3 Ų | 45.3 | 15% | 0.145 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -71.7 | -41.6 | 176.4 | -175.2 | 0 | 0 | 0 | 0 | 110 | E598 L599 A602 W629 L630 I636 | E598-V632 HydrophobicContact CG-CG1 4.38Å; L599-V632 HydrophobicContact CD1-CG1 4.16Å; A602-V632 HydrophobicContact CB-CB 4.17Å; A602-V632 HydrophobicContact CB-CG1 3.97Å; A602-V632 HydrophobicContact CB-CG2 4.09Å; W629-V632 WeakPolarHBondContact O-CB 3.47Å; W629-V632 PolarHBondContact O-N 2.8Å; L630-V632 VanDerWaalsContact C-N 3.26Å; L630-V632 PolarHBondContact O-N 3.25Å; V632-I636 HydrophobicContact CG1-CD1 3.78Å; V632-I636 WeakPolarHBondContact O-CG1 3.29Å; V632-I636 PolarHBondContact O-N 3.31Å |
| 633 | L | 84.4 | Confident | 74.7 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.7 | -49.5 | 173 | -172.3 | 80.6 | 0 | 0 | 0 | 111.7 | L599 W629 L630 R635 I636 L637 L730 F755 Y759 L762 | L599-L633 HydrophobicContact CD1-CD1 4.35Å; W629-L633 HydrophobicContact CH2-CD1 4.23Å; W629-L633 HydrophobicContact CH2-CD2 3.7Å; W629-L633 HydrophobicContact CH2-CG 4.41Å; W629-L633 HydrophobicContact CZ2-CB 4.45Å; W629-L633 HydrophobicContact CZ2-CD1 3.85Å; W629-L633 HydrophobicContact CZ2-CD2 4.15Å; W629-L633 HydrophobicContact CZ2-CG 4.38Å; W629-L633 HydrophobicContact CZ3-CD2 4.11Å; W629-L633 PolarHBondContact O-N 3.07Å; L630-L633 HydrophobicContact CD1-CD2 4.38Å; L630-L633 WeakPolarHBondContact O-CB 3.31Å; L630-L633 PolarHBondContact O-N 3.17Å; L630-L633 VanDerWaalsContact O-N 3.17Å; L633-R635 PolarHBondContact O-N 3.42Å; L633-I636 PolarHBondContact O-N 2.77Å; L633-L637 HydrophobicContact CD1-CD1 3.96Å; L633-L637 PolarHBondContact O-N 2.8Å; L633-L730 HydrophobicContact CD1-CD2 3.97Å; L633-F755 HydrophobicContact CD2-CE2 4.21Å; L633-F755 HydrophobicContact CD2-CZ 4.2Å; L633-Y759 HydrophobicContact CD2-CD1 4.35Å; L633-Y759 HydrophobicContact CD2-CE1 4.37Å; L633-Y759 HydrophobicContact CG-CE1 4.47Å; L633-L762 HydrophobicContact CD1-CD1 3.95Å |
| 634 | E | 83.6 | Confident | 72.4 | Confident | 58 Ų | 58 | 51.7 Ų | 51.7 | 27% | 0.271 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.5 | -36.5 | -177.7 | -65.4 | -130.3 | 104.5 | 0 | 0 | 112.4 | L630 I636 G638 R758 Y759 | L630-E634 HydrophobicContact CD1-CG 3.88Å; L630-E634 HydrophobicContact CG-CG 4.17Å; L630-E634 WeakPolarHBondContact O-CG 3.46Å; L630-E634 PolarHBondContact O-N 2.81Å; E634-I636 VanDerWaalsContact C-N 3.3Å; E634-I636 PolarHBondContact O-N 2.81Å; E634-G638 VanDerWaalsContact O-CA 3.28Å; E634-G638 WeakPolarHBondContact O-CA 3.4Å; E634-G638 PolarHBondContact O-N 3.12Å; E634-G638 VanDerWaalsContact O-N 3.14Å; E634-R758 IonicContact OE1-NH1 2.67Å; E634-Y759 WeakPolarHBondContact CA-OH 3.34Å; E634-Y759 WeakPolarHBondContact CG-OH 3.46Å; E634-Y759 PolarHBondContact OE1-OH 3.07Å |
| 635 | R | 82.8 | Confident | 70.1 | Confident | 99 Ų | 99 | 49.1 Ų | 49.1 | 37% | 0.374 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.3 | -35.9 | 176.8 | -173.6 | 177.9 | 77.3 | 73.7 | -11.6 | 112.7 | D595 E598 P631 L633 | D595-R635 IonicContact OD1-CZ 2.85Å; D595-R635 IonicContact OD1-NH1 3.58Å; D595-R635 PolarHBondContact OD1-NH1 2.83Å; D595-R635 IonicContact OD1-NH2 2.77Å; D595-R635 PolarHBondContact OD1-NH2 3.06Å; D595-R635 IonicContact OD2-NH1 2.75Å; E598-R635 IonicContact OE1-CZ 3.93Å; E598-R635 IonicContact OE1-NE 3.79Å; E598-R635 IonicContact OE1-NH2 3.21Å; E598-R635 PolarHBondContact OE1-NH2 3.11Å; E598-R635 IonicContact OE2-NH2 3.45Å; E598-R635 PolarHBondContact OE2-NH2 2.99Å; E598-R635 VanDerWaalsContact OE2-NH2 3.08Å; P631-R635 VanDerWaalsContact O-CB 3.25Å; P631-R635 WeakPolarHBondContact O-CB 3.31Å; P631-R635 PolarHBondContact O-N 3.37Å; L633-R635 PolarHBondContact O-N 3.42Å |
| 636 | I | 79.1 | Confident | 67.8 | Low | 30 Ų | 30 | 53.3 Ų | 53.3 | 15% | 0.154 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -104.5 | -36.2 | -166.9 | -61.7 | 169.3 | 0 | 0 | 0 | 112.4 | D595 M596 L599 V632 L633 E634 | D595-I636 HydrophobicContact CB-CD1 4.17Å; D595-I636 HydrophobicContact CB-CG1 4.26Å; D595-I636 HydrophobicContact CB-CG2 4.48Å; D595-I636 WeakPolarHBondContact O-CD1 3.44Å; M596-I636 HydrophobicContact SD-CG2 4.46Å; L599-I636 HydrophobicContact CB-CD1 3.85Å; L599-I636 HydrophobicContact CD2-CG2 4.16Å; V632-I636 HydrophobicContact CG1-CD1 3.78Å; V632-I636 WeakPolarHBondContact O-CG1 3.29Å; V632-I636 PolarHBondContact O-N 3.31Å; L633-I636 PolarHBondContact O-N 2.77Å; E634-I636 VanDerWaalsContact C-N 3.3Å; E634-I636 PolarHBondContact O-N 2.81Å |
| 637 | L | 79.9 | Confident | 65.4 | Low | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.005 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -114.7 | -3.3 | -177.6 | -60.4 | -178.1 | 0 | 0 | 0 | 114.1 | L599 L633 R715 P719 T720 L722 L730 Y759 F761 L762 | L599-L637 HydrophobicContact CD2-CD1 4.05Å; L599-L637 HydrophobicContact CD2-CG 4.27Å; L633-L637 HydrophobicContact CD1-CD1 3.96Å; L633-L637 PolarHBondContact O-N 2.8Å; L637-R715 PolarHBondContact O-NH1 2.84Å; L637-P719 HydrophobicContact CD2-CG 4.23Å; L637-T720 WeakPolarHBondContact CD2-OG1 3.49Å; L637-L722 HydrophobicContact CD1-CD2 4.28Å; L637-L722 HydrophobicContact CD2-CD2 4.24Å; L637-L730 HydrophobicContact CD1-CD1 4.39Å; L637-Y759 HydrophobicContact CB-CE1 4.44Å; L637-F761 HydrophobicContact CB-CZ 4.45Å; L637-L762 HydrophobicContact CD1-CD1 4.26Å |
| 638 | G | 75 | Confident | 63 | Low | 15 Ų | 15 | 59.7 Ų | 59.7 | 16% | 0.155 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -73.5 | -178.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | E634 R715 Y759 | E634-G638 VanDerWaalsContact O-CA 3.28Å; E634-G638 WeakPolarHBondContact O-CA 3.4Å; E634-G638 PolarHBondContact O-N 3.12Å; E634-G638 VanDerWaalsContact O-N 3.14Å; G638-R715 PolarHBondContact O-NH1 2.9Å; G638-Y759 WeakPolarHBondContact CA-OH 3.37Å |
| 639 | P | 63.9 | Low | 60.6 | Low | 22 Ų | 22 | 61.9 Ų | 61.9 | 14% | 0.143 | 38% | 0.379 | C | S | . | . | trans | -71.6 | 133.6 | 174 | -19.4 | 33.8 | 0 | 0 | 0 | 112.7 | A641 L642 R758 | P639-A641 PolarHBondContact O-N 2.7Å; P639-L642 WeakPolarHBondContact O-CB 3.37Å; P639-L642 PolarHBondContact O-N 3.19Å; P639-R758 HydrophobicContact CG-CG 4.01Å | ||
| 640 | A | 50.8 | Low | 57.7 | Low | 70 Ų | 70 | 66.4 Ų | 66.4 | 58% | 0.579 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -57.8 | -18.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L642 L643 | A640-L642 PolarHBondContact O-N 3.34Å; A640-L643 PolarHBondContact O-N 3.22Å |
| 641 | A | 44.8 | Very low | 54.9 | Low | 75 Ų | 75 | 73 Ų | 73 | 62% | 0.62 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -63.2 | -24.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | P639 T644 | P639-A641 PolarHBondContact O-N 2.7Å; A641-T644 PolarHBondContact O-OG1 3Å |
| 642 | L | 45.8 | Very low | 52.4 | Low | 63 Ų | 63 | 76.8 Ų | 76.8 | 33% | 0.33 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -74.4 | -31.9 | 176.4 | -61.7 | 179.1 | 0 | 0 | 0 | 112.2 | P639 A640 T644 A645 | P639-L642 WeakPolarHBondContact O-CB 3.37Å; P639-L642 PolarHBondContact O-N 3.19Å; A640-L642 PolarHBondContact O-N 3.34Å; L642-T644 PolarHBondContact O-N 2.97Å; L642-A645 WeakPolarHBondContact O-CB 3.43Å; L642-A645 PolarHBondContact O-N 3.11Å |
| 643 | L | 40.3 | Very low | 49.7 | Very low | 96 Ų | 96 | 83.6 Ų | 83.6 | 50% | 0.503 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.9 | -25.8 | 179 | -61.6 | 174.3 | 0 | 0 | 0 | 112.4 | A640 A645 S646 | A640-L643 PolarHBondContact O-N 3.22Å; L643-A645 VanDerWaalsContact C-N 3.34Å; L643-S646 PolarHBondContact O-OG 3.43Å |
| 644 | T | 35.1 | Very low | 46.9 | Very low | 109 Ų | 109 | 87 Ų | 87 | 67% | 0.669 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -13.4 | 172.4 | 30.8 | 0 | 0 | 0 | 0 | 114.6 | A641 L642 | A641-T644 PolarHBondContact O-OG1 3Å; L642-T644 PolarHBondContact O-N 2.97Å |
| 645 | A | 35.4 | Very low | 44.1 | Very low | 68 Ų | 68 | 90 Ų | 90 | 56% | 0.562 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | -26.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L642 L643 | L642-A645 WeakPolarHBondContact O-CB 3.43Å; L642-A645 PolarHBondContact O-N 3.11Å; L643-A645 VanDerWaalsContact C-N 3.34Å |
| 646 | S | 33.2 | Very low | 41.3 | Very low | 92 Ų | 92 | 88.8 Ų | 88.8 | 64% | 0.643 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -84 | -16.6 | -175.9 | 54.6 | 0 | 0 | 0 | 0 | 114.7 | L643 | L643-S646 PolarHBondContact O-OG 3.43Š|
| 647 | V | 35.3 | Very low | 38.9 | Very low | 115 Ų | 115 | 96.4 Ų | 96.4 | 70% | 0.697 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -84.9 | -19 | -175.4 | 179.9 | 0 | 0 | 0 | 0 | 113 | ||
| 648 | T | 32.1 | Very low | 36.3 | Very low | 105 Ų | 105 | 103.9 Ų | 103.9 | 64% | 0.644 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -112 | 61.7 | -178 | 57.6 | 0 | 0 | 0 | 0 | 113.2 | ||
| 649 | N | 31.8 | Very low | 33.9 | Very low | 164 Ų | 164 | 109.2 Ų | 109.2 | 88% | 0.877 | 67% | 0.666 | S | S | * | * | trans | -158.6 | 72.2 | 156.9 | -103.1 | -34.6 | 0 | 0 | 0 | 112.5 | ||||
| 650 | S | 27.9 | Very low | 32 | Very low | 97 Ų | 97 | 118.2 Ų | 118.2 | 68% | 0.678 | 70% | 0.698 | S | S | * | * | trans | -138.3 | 119.4 | 159.9 | 64.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 651 | N | 25.9 | Very low | 30.7 | Very low | 152 Ų | 152 | 121.8 Ų | 121.8 | 81% | 0.813 | 71% | 0.707 | S | S | * | * | trans | 92.9 | 141.4 | 163.9 | -48.1 | -61.9 | 0 | 0 | 0 | 119.7 | ||||
| 652 | L | 30.1 | Very low | 29.7 | Very low | 157 Ų | 157 | 127.4 Ų | 127.4 | 82% | 0.822 | 71% | 0.712 | S | S | * | * | trans | 75.8 | 95.5 | 168.3 | -89.6 | 65.7 | 0 | 0 | 0 | 119.6 | ||||
| 653 | D | 26.1 | Very low | 28.5 | Very low | 167 Ų | 167 | 133.7 Ų | 133.7 | 89% | 0.893 | 74% | 0.74 | S | S | * | * | 18.5 | 133.6 | 123.2 | -64.1 | -34 | 0 | 0 | 0 | 119.9 | |||||
| 654 | G | 25.3 | Very low | 27.8 | Very low | 71 Ų | 71 | 137.3 Ų | 137.3 | 73% | 0.732 | 75% | 0.748 | S | S | * | * | trans | 152.5 | 102.7 | 148.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 655 | S | 26 | Very low | 27.2 | Very low | 121 Ų | 121 | 140.4 Ų | 140.4 | 85% | 0.846 | 76% | 0.759 | S | S | * | * | trans | 4.5 | 118.8 | 150 | 56.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 656 | G | 24.4 | Very low | 26.6 | Very low | 74 Ų | 74 | 141.9 Ų | 141.9 | 76% | 0.763 | 77% | 0.766 | S | S | * | * | 75.4 | 141.2 | 111.1 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 657 | E | 27.8 | Very low | 26.6 | Very low | 191 Ų | 191 | 142.8 Ų | 142.8 | 89% | 0.893 | 77% | 0.769 | S | S | * | * | trans | 70.9 | 89.2 | 153.4 | -57.3 | -169.4 | 170.6 | 0 | 0 | 120.4 | ||||
| 658 | E | 25.2 | Very low | 26 | Very low | 158 Ų | 158 | 142.6 Ų | 142.6 | 74% | 0.738 | 77% | 0.772 | S | S | * | * | 62.7 | 151.9 | 113.4 | -93.1 | -162.7 | -152.3 | 0 | 0 | 124.8 | |||||
| 659 | K | 24 | Very low | 25.6 | Very low | 127 Ų | 127 | 144.1 Ų | 144.1 | 55% | 0.552 | 78% | 0.781 | S | S | * | * | trans | 74.6 | 112.7 | 162.9 | -69.8 | -173.4 | 179.2 | 72.5 | 0 | 117.2 | ||||
| 660 | W | 24.2 | Very low | 25.2 | Very low | 211 Ų | 211 | 144.3 Ų | 144.3 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | 83.8 | 147.9 | 88.9 | -65.7 | -10.4 | 0 | 0 | 0 | 111.6 | |||||
| 661 | D | 23.8 | Very low | 25.1 | Very low | 145 Ų | 145 | 147.3 Ų | 147.3 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | cis | -144.7 | 179.4 | 31.7 | -132.8 | -41.1 | 0 | 0 | 0 | 116.1 | ||||
| 662 | R | 23.4 | Very low | 25.1 | Very low | 192 Ų | 192 | 146.9 Ų | 146.9 | 73% | 0.725 | 77% | 0.773 | S | S | * | * | trans | -107.1 | 144.4 | -174.2 | -172 | -164.5 | -132.3 | -157.1 | 5.6 | 110 | ||||
| 663 | E | 21.8 | Very low | 24.7 | Very low | 195 Ų | 195 | 150 Ų | 150 | 91% | 0.911 | 77% | 0.774 | S | S | * | * | trans | -159.8 | 162.5 | 143.8 | -121.3 | 169.7 | -158.5 | 0 | 0 | 114.4 | ||||
| 664 | Y | 24.7 | Very low | 24.5 | Very low | 173 Ų | 173 | 150.6 Ų | 150.6 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | trans | -103.7 | 161.3 | -175.4 | -83.1 | -117.2 | 0 | 0 | 0 | 110.9 | ||||
| 665 | L | 23.3 | Very low | 25.4 | Very low | 173 Ų | 173 | 152.1 Ų | 152.1 | 91% | 0.906 | 77% | 0.769 | S | S | * | * | 177.6 | 153.8 | 110.7 | -92.7 | 165.4 | 0 | 0 | 0 | 113.8 | |||||
| 666 | S | 21.7 | Very low | 25.3 | Very low | 99 Ų | 99 | 151.8 Ų | 151.8 | 69% | 0.692 | 77% | 0.766 | S | S | * | * | trans | -93.8 | 172.4 | 168.5 | -173.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 667 | P | 34.6 | Very low | 25.2 | Very low | 111 Ų | 111 | 157 Ų | 157 | 72% | 0.721 | 77% | 0.77 | S | S | * | * | -155.4 | 155.4 | 101.9 | 38.1 | -19.8 | 0 | 0 | 0 | 118.8 | |||||
| 668 | C | 21.9 | Very low | 25 | Very low | 111 Ų | 111 | 152.4 Ų | 152.4 | 75% | 0.75 | 76% | 0.76 | S | S | * | * | trans | 69.7 | 150.6 | 145.1 | -70.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 669 | T | 23.7 | Very low | 25 | Very low | 137 Ų | 137 | 151 Ų | 151 | 84% | 0.84 | 76% | 0.762 | S | S | * | * | cis | -143.1 | 161.1 | 35.7 | -30.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 670 | E | 24.4 | Very low | 25 | Very low | 169 Ų | 169 | 149.1 Ų | 149.1 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | trans | -89.8 | 172.6 | -177.5 | -43.3 | 173 | 121.3 | 0 | 0 | 114.6 | ||||
| 671 | Q | 24.9 | Very low | 25 | Very low | 160 Ų | 160 | 147.9 Ų | 147.9 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | -173.9 | 125.4 | 110.2 | -97.4 | 178 | 14 | 0 | 0 | 116.6 | |||||
| 672 | Q | 25.8 | Very low | 24.9 | Very low | 143 Ų | 143 | 149.7 Ų | 149.7 | 67% | 0.668 | 78% | 0.777 | S | S | * | * | trans | 75.7 | 106.7 | 138.7 | -61.8 | 179.2 | 32.6 | 0 | 0 | 125 | ||||
| 673 | R | 22.7 | Very low | 24.9 | Very low | 222 Ų | 222 | 144.9 Ų | 144.9 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | 61.8 | 107.3 | 119.4 | -65.7 | 176.7 | 175.3 | 164.1 | -1.6 | 123.6 | |||||
| 674 | E | 20.9 | Very low | 25 | Very low | 180 Ų | 180 | 143.2 Ų | 143.2 | 84% | 0.841 | 77% | 0.77 | S | S | * | * | 34.9 | 164.4 | 101.2 | -82.6 | -169.8 | -144.3 | 0 | 0 | 123.5 | |||||
| 675 | P | 45.3 | Very low | 25 | Very low | 103 Ų | 103 | 142.6 Ų | 142.6 | 67% | 0.669 | 78% | 0.778 | S | S | * | * | cis | -145.3 | 174.8 | -29.4 | 39.7 | -21.7 | 0 | 0 | 0 | 116.2 | ||||
| 676 | S | 22.9 | Very low | 25 | Very low | 113 Ų | 113 | 137.5 Ų | 137.5 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | trans | 170.7 | 134 | 143.3 | 27.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 677 | E | 22.8 | Very low | 25.1 | Very low | 183 Ų | 183 | 141.4 Ų | 141.4 | 86% | 0.855 | 77% | 0.774 | S | S | * | * | cis | 66.9 | 136.8 | 47.6 | -71.1 | -164.7 | -166.6 | 0 | 0 | 114.6 | ||||
| 678 | S | 23.5 | Very low | 24.6 | Very low | 96 Ų | 96 | 145.3 Ų | 145.3 | 67% | 0.671 | 78% | 0.78 | S | S | * | * | cis | -169.1 | -173.5 | -9.4 | 44.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 679 | V | 25.1 | Very low | 24.7 | Very low | 128 Ų | 128 | 148.2 Ų | 148.2 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | cis | -158.3 | 140 | 18.5 | -173.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 680 | A | 23.1 | Very low | 24.6 | Very low | 88 Ų | 88 | 147.7 Ų | 147.7 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | 53.4 | 175.2 | 156.4 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 681 | E | 23.9 | Very low | 24.5 | Very low | 184 Ų | 184 | 146.8 Ų | 146.8 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | cis | -125 | 140.1 | -1.5 | -61.9 | 168.6 | 142.5 | 0 | 0 | 107.8 | ||||
| 682 | E | 22.9 | Very low | 24.4 | Very low | 184 Ų | 184 | 143.8 Ų | 143.8 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | 73.1 | 122.3 | 51.4 | -89.2 | -170.7 | -166.3 | 0 | 0 | 117.4 | |||||
| 683 | A | 23.7 | Very low | 24.2 | Very low | 90 Ų | 90 | 145.8 Ų | 145.8 | 74% | 0.744 | 78% | 0.784 | S | S | * | * | trans | 75.5 | 147.7 | 148.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 684 | E | 23.8 | Very low | 24.2 | Very low | 161 Ų | 161 | 142.8 Ų | 142.8 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | cis | -161.4 | 168.3 | -3.9 | -134.4 | -178.5 | -155.1 | 0 | 0 | 112.6 | ||||
| 685 | L | 24 | Very low | 24.3 | Very low | 160 Ų | 160 | 141.2 Ų | 141.2 | 84% | 0.838 | 77% | 0.769 | S | S | * | * | trans | 66.8 | 147.9 | 156.4 | -64.7 | 162.7 | 0 | 0 | 0 | 119.1 | ||||
| 686 | G | 23 | Very low | 23.5 | Very low | 65 Ų | 65 | 142.6 Ų | 142.6 | 67% | 0.67 | 78% | 0.778 | S | S | * | * | cis | -178.1 | 151.6 | -4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 687 | E | 25.2 | Very low | 23.4 | Very low | 182 Ų | 182 | 141.1 Ų | 141.1 | 85% | 0.85 | 76% | 0.764 | S | S | * | * | trans | -86.2 | 160.2 | -164.9 | -59.9 | 156.5 | 123.2 | 0 | 0 | 115.3 | ||||
| 688 | K | 24.2 | Very low | 23.5 | Very low | 192 Ų | 192 | 139.5 Ų | 139.5 | 84% | 0.835 | 77% | 0.767 | S | S | * | * | trans | -165.5 | 119.2 | 138.8 | -99.9 | 143.5 | -170.2 | 171.1 | 0 | 107.5 | ||||
| 689 | E | 22.5 | Very low | 23.5 | Very low | 172 Ų | 172 | 140.4 Ų | 140.4 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | 56.7 | 122.3 | 61.6 | -66 | -156 | 121.9 | 0 | 0 | 114.5 | |||||
| 690 | V | 23.1 | Very low | 23.4 | Very low | 127 Ų | 127 | 141.9 Ų | 141.9 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | -167.4 | 131.5 | 111.8 | 139.3 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 691 | L | 21.8 | Very low | 23.4 | Very low | 150 Ų | 150 | 143.7 Ų | 143.7 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | 27.6 | 135.9 | 162.8 | -76.9 | 68.6 | 0 | 0 | 0 | 121 | ||||
| 692 | C | 21.5 | Very low | 23.7 | Very low | 97 Ų | 97 | 143.5 Ų | 143.5 | 66% | 0.655 | 77% | 0.766 | S | S | * | * | cis | 74.7 | 101.4 | 17.6 | -163.8 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 693 | E | 22.4 | Very low | 23.7 | Very low | 185 Ų | 185 | 142.7 Ų | 142.7 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | trans | -150.2 | 153 | 135.5 | -84.9 | -169 | 155.6 | 0 | 0 | 107.7 | ||||
| 694 | K | 23.8 | Very low | 23.7 | Very low | 159 Ų | 159 | 143.4 Ų | 143.4 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | cis | 168.3 | 111.5 | -35.6 | -111.6 | -175.8 | 177.8 | 179.7 | 0 | 105.8 | ||||
| 695 | Q | 21.9 | Very low | 23.7 | Very low | 147 Ų | 147 | 140.8 Ų | 140.8 | 69% | 0.687 | 77% | 0.773 | S | S | * | * | trans | 59.5 | 152 | 133.9 | -95.6 | 170.9 | -3.9 | 0 | 0 | 120.1 | T697 | Q695-T697 HydrophobicContact CG-CG2 4.19Š| ||
| 696 | P | 28 | Very low | 24.1 | Very low | 132 Ų | 132 | 138.9 Ų | 138.9 | 86% | 0.857 | 77% | 0.773 | S | S | * | * | -124.7 | 158.4 | 65.9 | 28 | -11.3 | 0 | 0 | 0 | 115.6 | |||||
| 697 | T | 21.4 | Very low | 24.3 | Very low | 81 Ų | 81 | 142.7 Ų | 142.7 | 50% | 0.497 | 78% | 0.777 | S | S | . | * | trans | -91.6 | 161.5 | 172.5 | 44.5 | 0 | 0 | 0 | 0 | 112.2 | Q695 | Q695-T697 HydrophobicContact CG-CG2 4.19Š| ||
| 698 | V | 25.3 | Very low | 24.6 | Very low | 149 Ų | 149 | 142 Ų | 142 | 90% | 0.903 | 77% | 0.773 | S | S | * | * | trans | -133.7 | 108.4 | 145.8 | -179 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 699 | D | 22.2 | Very low | 24.9 | Very low | 115 Ų | 115 | 139.3 Ų | 139.3 | 62% | 0.615 | 77% | 0.769 | S | S | * | * | trans | -77.9 | 157.2 | 169.9 | -58.3 | -63.6 | 0 | 0 | 0 | 110.5 | ||||
| 700 | M | 23.7 | Very low | 25.6 | Very low | 160 Ų | 160 | 138.7 Ų | 138.7 | 79% | 0.788 | 77% | 0.765 | S | S | * | * | -175.4 | 145.8 | 111.8 | -96.9 | -58.6 | 145.9 | 0 | 0 | 114.5 | |||||
| 701 | T | 23.3 | Very low | 27.1 | Very low | 126 Ų | 126 | 137.2 Ų | 137.2 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | trans | 61.5 | 106.3 | 157.6 | 49.7 | 0 | 0 | 0 | 0 | 120 | ||||
| 702 | E | 30.6 | Very low | 28.9 | Very low | 179 Ų | 179 | 133.4 Ų | 133.4 | 84% | 0.836 | 74% | 0.736 | S | S | * | * | trans | -66.4 | 145.8 | 153 | -52.8 | 166.6 | 122.4 | 0 | 0 | 111 | ||||
| 703 | N | 22.7 | Very low | 31.1 | Very low | 168 Ų | 168 | 134.1 Ų | 134.1 | 90% | 0.898 | 74% | 0.74 | S | S | * | * | trans | 167.4 | 100.6 | 133.2 | -94.9 | -64.5 | 0 | 0 | 0 | 111.7 | ||||
| 704 | A | 23.8 | Very low | 33.8 | Very low | 104 Ų | 104 | 126.8 Ų | 126.8 | 86% | 0.86 | 71% | 0.706 | S | S | * | * | trans | -155.5 | 134.8 | 156.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 705 | S | 24.3 | Very low | 36.4 | Very low | 107 Ų | 107 | 122.7 Ų | 122.7 | 75% | 0.748 | 69% | 0.686 | S | S | * | * | trans | -66.5 | 141.2 | 179.7 | 49.1 | 0 | 0 | 0 | 0 | 112.7 | L707 | S705-L707 PolarHBondContact O-N 3.14Š| ||
| 706 | S | 32 | Very low | 39 | Very low | 120 Ų | 120 | 117.5 Ų | 117.5 | 84% | 0.839 | 67% | 0.665 | S | S | * | * | trans | -57.9 | 117.1 | 168.4 | 52.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 707 | L | 26.1 | Very low | 41 | Very low | 144 Ų | 144 | 115 Ų | 115 | 75% | 0.754 | 66% | 0.655 | S | S | * | * | trans | -114.5 | 123.3 | 158.3 | -99.8 | 158 | 0 | 0 | 0 | 107 | S705 N709 | S705-L707 PolarHBondContact O-N 3.14Å; L707-N709 VanDerWaalsContact C-N 3.34Å; L707-N709 PolarHBondContact O-N 3.12Å | ||
| 708 | E | 31.4 | Very low | 43.7 | Very low | 167 Ų | 167 | 113.1 Ų | 113.1 | 78% | 0.78 | 65% | 0.645 | S | S | * | * | trans | -74.9 | 87.4 | 178.8 | -67.6 | -177.8 | 123.2 | 0 | 0 | 109.6 | H710 | E708-H710 VanDerWaalsContact C-N 3.27Å; E708-H710 PolarHBondContact O-N 3.25Å | ||
| 709 | N | 31.3 | Very low | 45.8 | Very low | 137 Ų | 137 | 109.6 Ų | 109.6 | 73% | 0.733 | 63% | 0.625 | S | S | * | * | trans | -68 | 84.1 | 172.1 | -77.2 | -8.1 | 0 | 0 | 0 | 110 | L707 | L707-N709 VanDerWaalsContact C-N 3.34Å; L707-N709 PolarHBondContact O-N 3.12Å | ||
| 710 | H | 36.4 | Very low | 48.1 | Very low | 159 Ų | 159 | 106.6 Ų | 106.6 | 74% | 0.736 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 125.2 | 163.1 | -67.6 | -45.1 | 0 | 0 | 0 | 109.1 | E708 | E708-H710 VanDerWaalsContact C-N 3.27Å; E708-H710 PolarHBondContact O-N 3.25Å |
| 711 | P | 54.8 | Low | 50.3 | Low | 95 Ų | 95 | 105.1 Ų | 105.1 | 62% | 0.617 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 142.9 | -178.7 | 27.4 | -34.6 | 0 | 0 | 0 | 111 | ||
| 712 | E | 61.1 | Low | 52.9 | Low | 71 Ų | 71 | 100.7 Ų | 100.7 | 33% | 0.332 | 59% | 0.585 | S | S | . | * | P | Polyproline II helix | trans | -59.4 | 146.1 | -176.9 | -75.3 | -167 | 178.2 | 0 | 0 | 112.7 | R757 R758 | E712-R757 PolarHBondContact O-NE 2.91Å; E712-R757 PolarHBondContact O-NH2 3.32Å; E712-R757 VanDerWaalsContact O-NH2 3.14Å; E712-R758 IonicContact OE1-CZ 3.56Å; E712-R758 IonicContact OE1-NE 3.9Å; E712-R758 IonicContact OE1-NH2 2.77Å; E712-R758 PolarHBondContact OE1-NH2 3.26Å; E712-R758 WeakPolarHBondContact OE2-CG 3.35Å; E712-R758 IonicContact OE2-CZ 3.57Å; E712-R758 IonicContact OE2-NE 3.79Å; E712-R758 PolarHBondContact OE2-NE 3.26Å; E712-R758 IonicContact OE2-NH2 3.67Å; E712-R758 PolarHBondContact OE2-NH2 2.87Å |
| 713 | P | 67.7 | Low | 55.2 | Low | 111 Ų | 111 | 94.5 Ų | 94.5 | 72% | 0.721 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -70 | 130.9 | -178.8 | 28.8 | -34.9 | 0 | 0 | 0 | 111.7 | ||
| 714 | I | 78.3 | Confident | 57.5 | Low | 32 Ų | 32 | 90.3 Ų | 90.3 | 16% | 0.164 | 54% | 0.544 | C | S | . | . | P | Polyproline II helix | trans | -72 | 130.4 | -174.3 | -53.2 | -171.5 | 0 | 0 | 0 | 111.7 | V716 R757 F760 E788 A789 | I714-V716 HydrophobicContact CG2-CG2 3.94Å; I714-R757 WeakPolarHBondContact CA-O 3.41Å; I714-R757 HydrophobicContact CD1-CG 4.35Å; I714-R757 HydrophobicContact CG1-CB 4.2Å; I714-R757 HydrophobicContact CG1-CG 4.07Å; I714-F760 HydrophobicContact CG2-CB 4.37Å; I714-E788 HydrophobicContact CD1-CB 3.7Å; I714-E788 VanDerWaalsContact CD1-CD 3.48Å; I714-E788 HydrophobicContact CD1-CG 3.63Å; I714-A789 HydrophobicContact CD1-CB 4Å; I714-A789 HydrophobicContact CG2-CB 3.68Å |
| 715 | R | 77.7 | Confident | 59.8 | Low | 73 Ų | 73 | 91.2 Ų | 91.2 | 28% | 0.275 | 54% | 0.535 | S | S | . | . | trans | -96.4 | 103.7 | 177.3 | -71.8 | -179.3 | 157.5 | -152.8 | -9 | 111.5 | L637 G638 R757 R758 F761 | L637-R715 PolarHBondContact O-NH1 2.84Å; G638-R715 PolarHBondContact O-NH1 2.9Å; R715-R757 PolarHBondContact N-O 2.98Å; R715-R758 WeakPolarHBondContact CB-O 3.37Å; R715-R758 VanDerWaalsContact CD-O 3.28Å; R715-R758 WeakPolarHBondContact CD-O 3.27Å; R715-F761 HydrophobicContact CB-CD1 4.15Å; R715-F761 HydrophobicContact CB-CE1 4.37Å; R715-F761 PolarHBondContact O-N 2.86Å | ||
| 716 | V | 76.1 | Confident | 62.5 | Low | 38 Ų | 38 | 86.2 Ų | 86.2 | 23% | 0.23 | 50% | 0.5 | C | S | . | . | trans | -98.6 | -15.1 | -173.6 | -178.3 | 0 | 0 | 0 | 0 | 113.3 | I714 A792 L793 | I714-V716 HydrophobicContact CG2-CG2 3.94Å; V716-A792 HydrophobicContact CG2-CB 3.75Å; V716-L793 HydrophobicContact CG1-CB 3.67Å; V716-L793 HydrophobicContact CG1-CD1 3.61Å; V716-L793 HydrophobicContact CG1-CG 4.24Å | ||
| 717 | A | 71.9 | Confident | 64.9 | Low | 78 Ų | 78 | 85.2 Ų | 85.2 | 65% | 0.645 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -128.3 | 147.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 718 | S | 76.3 | Confident | 67.6 | Low | 42 Ų | 42 | 81.4 Ų | 81.4 | 29% | 0.294 | 47% | 0.47 | S | S | . | . | trans | -64.4 | 140.9 | 177.2 | -173.2 | 0 | 0 | 0 | 0 | 111.4 | T720 F761 | S718-T720 VanDerWaalsContact C-N 3.25Å; S718-T720 VanDerWaalsContact CB-O 3.25Å; S718-T720 WeakPolarHBondContact CB-O 3.27Å; S718-T720 PolarHBondContact O-N 3.32Å; S718-T720 PolarHBondContact OG-N 3.47Å; S718-T720 PolarHBondContact OG-O 3.01Å; S718-F761 WeakPolarHBondContact OG-CE2 3.29Å | ||
| 719 | P | 70 | Confident | 70.1 | Confident | 75 Ų | 75 | 75.7 Ų | 75.7 | 49% | 0.487 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -67.8 | -25 | 173.5 | 28.7 | -35.2 | 0 | 0 | 0 | 112.9 | L637 | L637-P719 HydrophobicContact CD2-CG 4.23Š|
| 720 | T | 70.1 | Confident | 72.7 | Confident | 52 Ų | 52 | 69.1 Ų | 69.1 | 32% | 0.319 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -129.3 | 149.7 | 179.5 | 52.5 | 0 | 0 | 0 | 0 | 111 | L637 S718 L722 | L637-T720 WeakPolarHBondContact CD2-OG1 3.49Å; S718-T720 VanDerWaalsContact C-N 3.25Å; S718-T720 VanDerWaalsContact CB-O 3.25Å; S718-T720 WeakPolarHBondContact CB-O 3.27Å; S718-T720 PolarHBondContact O-N 3.32Å; S718-T720 PolarHBondContact OG-N 3.47Å; S718-T720 PolarHBondContact OG-O 3.01Å; T720-L722 PolarHBondContact O-N 3.08Å |
| 721 | P | 70.1 | Confident | 75.2 | Confident | 130 Ų | 130 | 63 Ų | 63 | 84% | 0.844 | 39% | 0.385 | S | S | * | . | trans | -71.8 | 115.5 | 175.7 | 29.2 | -33.1 | 0 | 0 | 0 | 110.5 | ||||
| 722 | L | 78.6 | Confident | 76.7 | Confident | 32 Ų | 32 | 63.2 Ų | 63.2 | 17% | 0.168 | 38% | 0.378 | C | S | . | . | trans | -85.7 | 142 | -179.6 | -59.6 | 176.4 | 0 | 0 | 0 | 111.3 | M596 L637 T720 E727 L730 L762 | M596-L722 HydrophobicContact CE-CD2 3.87Å; L637-L722 HydrophobicContact CD1-CD2 4.28Å; L637-L722 HydrophobicContact CD2-CD2 4.24Å; T720-L722 PolarHBondContact O-N 3.08Å; L722-E727 HydrophobicContact CB-CB 4.47Å; L722-L730 HydrophobicContact CD1-CD1 4.22Å; L722-L730 HydrophobicContact CD2-CD1 4.41Å; L722-L762 HydrophobicContact CD1-CD2 3.65Å | ||
| 723 | P | 78 | Confident | 77.9 | Confident | 50 Ų | 50 | 59.9 Ų | 59.9 | 33% | 0.325 | 36% | 0.363 | S | S | . | . | trans | -64.9 | 137 | 165.3 | -19.4 | 32.2 | 0 | 0 | 0 | 111.1 | D725 L726 E727 | P723-D725 PolarHBondContact O-N 2.99Å; P723-D725 VanDerWaalsContact O-N 3.09Å; P723-L726 HydrophobicContact CB-CB 4.39Å; P723-L726 PolarHBondContact O-N 2.93Å; P723-E727 PolarHBondContact O-N 2.63Å | ||
| 724 | S | 70.8 | Confident | 78.9 | Confident | 80 Ų | 80 | 54.6 Ų | 54.6 | 56% | 0.559 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -50.7 | -37.5 | 179.9 | 46 | 0 | 0 | 0 | 0 | 113.9 | L726 | S724-L726 VanDerWaalsContact C-N 3.28Å; S724-L726 PolarHBondContact O-N 3.48Å |
| 725 | D | 72.8 | Confident | 79.4 | Confident | 123 Ų | 123 | 53.1 Ų | 53.1 | 66% | 0.658 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -78.8 | -19.6 | -172.3 | -48.5 | -5.9 | 0 | 0 | 0 | 111.3 | P723 | P723-D725 PolarHBondContact O-N 2.99Å; P723-D725 VanDerWaalsContact O-N 3.09Å |
| 726 | L | 81.3 | Confident | 79.7 | Confident | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -93.4 | -37 | 173.9 | -177.7 | 60.8 | 0 | 0 | 0 | 111.3 | M596 L599 R600 T603 P723 S724 A728 N729 L730 | M596-L726 HydrophobicContact CE-CD2 3.85Å; L599-L726 HydrophobicContact CD2-CD2 4.45Å; R600-L726 HydrophobicContact CB-CD1 4.38Å; T603-L726 HydrophobicContact CG2-CD1 3.9Å; P723-L726 HydrophobicContact CB-CB 4.39Å; P723-L726 PolarHBondContact O-N 2.93Å; S724-L726 VanDerWaalsContact C-N 3.28Å; S724-L726 PolarHBondContact O-N 3.48Å; L726-A728 VanDerWaalsContact C-N 3.31Å; L726-A728 PolarHBondContact O-N 3.16Å; L726-N729 PolarHBondContact O-N 3.29Å; L726-L730 HydrophobicContact CD1-CD1 4.38Å; L726-L730 HydrophobicContact CD1-CG 4.13Å; L726-L730 HydrophobicContact CD2-CD1 4.26Å; L726-L730 HydrophobicContact CG-CD1 3.79Å; L726-L730 HydrophobicContact CG-CG 4.03Å; L726-L730 WeakPolarHBondContact O-CG 3.45Å; L726-L730 PolarHBondContact O-N 3.2Å |
| 727 | E | 81.6 | Confident | 80.2 | Confident | 99 Ų | 99 | 50.1 Ų | 50.1 | 46% | 0.463 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -54 | -44.1 | 179.1 | -173.5 | -178.2 | -177.6 | 0 | 0 | 112.3 | L722 P723 S731 | L722-E727 HydrophobicContact CB-CB 4.47Å; P723-E727 PolarHBondContact O-N 2.63Å; E727-S731 VanDerWaalsContact O-CB 3.27Å; E727-S731 WeakPolarHBondContact O-CB 3.49Å; E727-S731 PolarHBondContact O-N 3.4Å |
| 728 | A | 83.3 | Confident | 80.8 | Confident | 63 Ų | 63 | 46.4 Ų | 46.4 | 52% | 0.521 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62 | -46.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L726 S731 E732 | L726-A728 VanDerWaalsContact C-N 3.31Å; L726-A728 PolarHBondContact O-N 3.16Å; A728-S731 WeakPolarHBondContact O-CB 3.4Å; A728-S731 PolarHBondContact O-N 3.37Å; A728-E732 PolarHBondContact O-N 3.01Å; A728-E732 VanDerWaalsContact O-N 3.1Å |
| 729 | N | 84.5 | Confident | 81.2 | Confident | 47 Ų | 47 | 46.8 Ų | 46.8 | 25% | 0.251 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -69.7 | -42.5 | -179.4 | -65.8 | -15 | 0 | 0 | 0 | 111.3 | T603 V607 L726 S731 E732 L733 | T603-N729 HydrophobicContact CG2-CB 3.55Å; V607-N729 HydrophobicContact CG2-CB 4.11Å; L726-N729 PolarHBondContact O-N 3.29Å; N729-S731 VanDerWaalsContact C-N 3.26Å; N729-S731 PolarHBondContact O-N 3.19Å; N729-E732 PolarHBondContact O-N 3.27Å; N729-L733 WeakPolarHBondContact O-CG 3.29Å; N729-L733 PolarHBondContact O-N 3.21Å; N729-L733 VanDerWaalsContact O-N 3.11Å |
| 730 | L | 86.5 | Confident | 81.7 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.3 | -39.2 | 173.4 | -71.7 | 176.3 | 0 | 0 | 0 | 111.6 | L599 T603 W629 L633 L637 L722 L726 A734 L762 | L599-L730 HydrophobicContact CD1-CD2 4.06Å; L599-L730 HydrophobicContact CD2-CD1 4.16Å; L599-L730 HydrophobicContact CD2-CD2 4.47Å; L599-L730 HydrophobicContact CG-CD2 4.25Å; T603-L730 HydrophobicContact CG2-CD2 4.04Å; T603-L730 HydrophobicContact CG2-CG 4.33Å; T603-L730 VanDerWaalsContact OG1-CD2 3.24Å; T603-L730 WeakPolarHBondContact OG1-CD2 3.44Å; W629-L730 HydrophobicContact CZ2-CD2 3.81Å; L633-L730 HydrophobicContact CD1-CD2 3.97Å; L637-L730 HydrophobicContact CD1-CD1 4.39Å; L722-L730 HydrophobicContact CD1-CD1 4.22Å; L722-L730 HydrophobicContact CD2-CD1 4.41Å; L726-L730 HydrophobicContact CD1-CD1 4.38Å; L726-L730 HydrophobicContact CD1-CG 4.13Å; L726-L730 HydrophobicContact CD2-CD1 4.26Å; L726-L730 HydrophobicContact CG-CD1 3.79Å; L726-L730 HydrophobicContact CG-CG 4.03Å; L726-L730 WeakPolarHBondContact O-CG 3.45Å; L726-L730 PolarHBondContact O-N 3.2Å; L730-A734 WeakPolarHBondContact O-CB 3.26Å; L730-A734 PolarHBondContact O-N 2.68Å; L730-L762 HydrophobicContact CB-CD2 4.24Å; L730-L762 HydrophobicContact CD1-CD2 4.47Å |
| 731 | S | 87.4 | Confident | 82 | Confident | 30 Ų | 30 | 43.1 Ų | 43.1 | 21% | 0.21 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.2 | -42.8 | 178.5 | -171.9 | 0 | 0 | 0 | 0 | 112.5 | E727 A728 N729 T735 L762 | E727-S731 VanDerWaalsContact O-CB 3.27Å; E727-S731 WeakPolarHBondContact O-CB 3.49Å; E727-S731 PolarHBondContact O-N 3.4Å; A728-S731 WeakPolarHBondContact O-CB 3.4Å; A728-S731 PolarHBondContact O-N 3.37Å; N729-S731 VanDerWaalsContact C-N 3.26Å; N729-S731 PolarHBondContact O-N 3.19Å; S731-T735 VanDerWaalsContact O-CB 3.27Å; S731-T735 WeakPolarHBondContact O-CB 3.47Å; S731-T735 PolarHBondContact O-N 2.75Å; S731-T735 PolarHBondContact O-OG1 2.87Å; S731-L762 WeakPolarHBondContact CA-O 3.17Å; S731-L762 WeakPolarHBondContact CB-O 3.48Å; S731-L762 PolarHBondContact OG-O 3.25Å |
| 732 | E | 86.6 | Confident | 82 | Confident | 99 Ų | 99 | 37 Ų | 37 | 46% | 0.463 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.2 | -48.6 | 176.7 | -177.4 | 161.1 | -145.4 | 0 | 0 | 111.8 | A728 N729 T735 L736 | A728-E732 PolarHBondContact O-N 3.01Å; A728-E732 VanDerWaalsContact O-N 3.1Å; N729-E732 PolarHBondContact O-N 3.27Å; E732-T735 PolarHBondContact O-N 3.06Å; E732-L736 HydrophobicContact CG-CD1 3.99Å; E732-L736 WeakPolarHBondContact O-CB 3.34Å; E732-L736 VanDerWaalsContact O-CG 3.3Å; E732-L736 WeakPolarHBondContact O-CG 3.43Å; E732-L736 PolarHBondContact O-N 3.38Å |
| 733 | L | 87.3 | Confident | 81.4 | Confident | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.9 | -45.6 | 179 | -63.5 | -178.7 | 0 | 0 | 0 | 112.7 | T603 A606 V607 I610 L626 W629 N729 T735 L736 Y737 | T603-L733 HydrophobicContact CG2-CD1 3.93Å; A606-L733 HydrophobicContact CB-CD1 3.75Å; A606-L733 HydrophobicContact CB-CD2 4.28Å; V607-L733 HydrophobicContact CG2-CD1 4.2Å; V607-L733 HydrophobicContact CG2-CD2 4.12Å; V607-L733 HydrophobicContact CG2-CG 4.17Å; I610-L733 HydrophobicContact CD1-CD2 3.54Å; L626-L733 HydrophobicContact CD2-CB 4.15Å; L626-L733 HydrophobicContact CD2-CD2 3.93Å; W629-L733 HydrophobicContact CD2-CB 4.27Å; W629-L733 HydrophobicContact CD2-CD1 3.88Å; W629-L733 VanDerWaalsContact CE2-CD1 3.5Å; W629-L733 HydrophobicContact CE3-CB 4.21Å; W629-L733 HydrophobicContact CG-CD1 4.1Å; W629-L733 HydrophobicContact CH2-CB 3.52Å; W629-L733 HydrophobicContact CZ2-CB 3.57Å; W629-L733 HydrophobicContact CZ2-CD1 3.9Å; W629-L733 HydrophobicContact CZ2-CG 4.4Å; W629-L733 HydrophobicContact CZ3-CB 3.86Å; N729-L733 WeakPolarHBondContact O-CG 3.29Å; N729-L733 PolarHBondContact O-N 3.21Å; N729-L733 VanDerWaalsContact O-N 3.11Å; L733-T735 VanDerWaalsContact C-N 3.3Å; L733-T735 PolarHBondContact O-N 3.06Å; L733-L736 PolarHBondContact O-N 3.07Å; L733-Y737 WeakPolarHBondContact O-CB 3.4Å; L733-Y737 PolarHBondContact O-N 3.42Å |
| 734 | A | 87.1 | Confident | 80.6 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.2 | -37.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | W629 L730 T738 F755 L762 L763 | W629-A734 HydrophobicContact CH2-CB 4.09Å; L730-A734 WeakPolarHBondContact O-CB 3.26Å; L730-A734 PolarHBondContact O-N 2.68Å; A734-T738 PolarHBondContact O-N 3.39Å; A734-T738 VanDerWaalsContact O-N 3.07Å; A734-T738 PolarHBondContact O-OG1 3.09Å; A734-F755 HydrophobicContact CB-CE1 4.33Å; A734-F755 HydrophobicContact CB-CZ 4.27Å; A734-L762 HydrophobicContact CB-CB 4.14Å; A734-L763 HydrophobicContact CB-CD2 3.77Å; A734-L763 WeakPolarHBondContact O-CD2 3.12Å |
| 735 | T | 88.5 | Confident | 79.9 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -70.8 | -42.1 | 177.6 | -51.9 | 0 | 0 | 0 | 0 | 111.4 | S731 E732 L733 Y737 T738 E739 D764 R767 V768 | S731-T735 VanDerWaalsContact O-CB 3.27Å; S731-T735 WeakPolarHBondContact O-CB 3.47Å; S731-T735 PolarHBondContact O-N 2.75Å; S731-T735 PolarHBondContact O-OG1 2.87Å; E732-T735 PolarHBondContact O-N 3.06Å; L733-T735 VanDerWaalsContact C-N 3.3Å; L733-T735 PolarHBondContact O-N 3.06Å; T735-Y737 PolarHBondContact O-N 3.36Å; T735-T738 PolarHBondContact O-N 3.01Å; T735-E739 WeakPolarHBondContact O-CG 3.32Å; T735-E739 PolarHBondContact O-N 2.91Å; T735-D764 HydrophobicContact CG2-CB 4.26Å; T735-D764 PolarHBondContact OG1-N 3.32Å; T735-R767 HydrophobicContact CG2-CB 3.63Å; T735-R767 HydrophobicContact CG2-CG 4.34Å; T735-V768 HydrophobicContact CG2-CG2 4.29Å |
| 736 | L | 85.4 | Confident | 78.9 | Confident | 21 Ų | 21 | 49.7 Ų | 49.7 | 11% | 0.11 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60 | -44.2 | 173.5 | -75.2 | 167.1 | 0 | 0 | 0 | 112 | I610 L626 E732 L733 T738 E739 L740 R767 | I610-L736 HydrophobicContact CG2-CD1 4.35Å; L626-L736 HydrophobicContact CD1-CB 4.3Å; E732-L736 HydrophobicContact CG-CD1 3.99Å; E732-L736 WeakPolarHBondContact O-CB 3.34Å; E732-L736 VanDerWaalsContact O-CG 3.3Å; E732-L736 WeakPolarHBondContact O-CG 3.43Å; E732-L736 PolarHBondContact O-N 3.38Å; L733-L736 PolarHBondContact O-N 3.07Å; L736-T738 VanDerWaalsContact C-N 3.33Å; L736-T738 PolarHBondContact O-N 3.3Å; L736-E739 PolarHBondContact O-N 3.41Å; L736-L740 WeakPolarHBondContact O-CB 3.46Å; L736-L740 WeakPolarHBondContact O-CD1 3.39Å; L736-L740 VanDerWaalsContact O-CG 3.29Å; L736-L740 WeakPolarHBondContact O-CG 3.35Å; L736-L740 PolarHBondContact O-N 3.05Å; L736-R767 VanDerWaalsContact CD2-NH2 3.33Å |
| 737 | Y | 85.8 | Confident | 77.3 | Confident | 27 Ų | 27 | 58.1 Ų | 58.1 | 11% | 0.106 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.4 | -41.2 | 175.7 | -178.6 | -95.9 | 0 | 0 | 0 | 112.6 | L626 M627 L630 L733 T735 S741 F755 | L626-Y737 HydrophobicContact CB-CD2 4.19Å; M627-Y737 HydrophobicContact SD-CE2 4.07Å; L630-Y737 HydrophobicContact CD2-CE1 4.36Å; L630-Y737 HydrophobicContact CD2-CE2 3.86Å; L733-Y737 WeakPolarHBondContact O-CB 3.4Å; L733-Y737 PolarHBondContact O-N 3.42Å; T735-Y737 PolarHBondContact O-N 3.36Å; Y737-S741 WeakPolarHBondContact O-CB 3.32Å; Y737-S741 PolarHBondContact O-N 3.48Å; Y737-S741 VanDerWaalsContact O-N 3.12Å; Y737-S741 PolarHBondContact O-OG 3.23Å; Y737-F755 AromaticContact CD1-CD1 3.89Å; Y737-F755 HydrophobicContact CD1-CD1 3.89Å; Y737-F755 AromaticContact CD1-CD2 3.85Å; Y737-F755 HydrophobicContact CD1-CD2 3.85Å; Y737-F755 AromaticContact CD1-CE1 3.77Å; Y737-F755 HydrophobicContact CD1-CE1 3.77Å; Y737-F755 AromaticContact CD1-CE2 3.75Å; Y737-F755 HydrophobicContact CD1-CE2 3.75Å; Y737-F755 AromaticContact CD1-CG 3.94Å; Y737-F755 HydrophobicContact CD1-CG 3.94Å; Y737-F755 AromaticContact CD1-CZ 3.71Å; Y737-F755 HydrophobicContact CD1-CZ 3.71Å; Y737-F755 HydrophobicContact CE1-CB 4.47Å; Y737-F755 HydrophobicContact CE1-CD1 4.29Å; Y737-F755 AromaticContact CE1-CD2 3.68Å; Y737-F755 HydrophobicContact CE1-CD2 3.68Å; Y737-F755 AromaticContact CE1-CE2 3.95Å; Y737-F755 HydrophobicContact CE1-CE2 3.95Å; Y737-F755 AromaticContact CE1-CG 3.88Å; Y737-F755 HydrophobicContact CE1-CG 3.88Å; Y737-F755 HydrophobicContact CE1-CZ 4.37Å; Y737-F755 HydrophobicContact CG-CZ 4.47Å |
| 738 | T | 84 | Confident | 76 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.9 | -47.4 | 176.4 | -48.9 | 0 | 0 | 0 | 0 | 111.1 | A734 T735 L736 L740 S741 C742 F755 L763 M771 M782 | A734-T738 PolarHBondContact O-N 3.39Å; A734-T738 VanDerWaalsContact O-N 3.07Å; A734-T738 PolarHBondContact O-OG1 3.09Å; T735-T738 PolarHBondContact O-N 3.01Å; L736-T738 VanDerWaalsContact C-N 3.33Å; L736-T738 PolarHBondContact O-N 3.3Å; T738-L740 VanDerWaalsContact C-N 3.33Å; T738-L740 PolarHBondContact O-N 3.46Å; T738-S741 PolarHBondContact O-N 3.45Å; T738-C742 PolarHBondContact O-N 2.92Å; T738-F755 WeakPolarHBondContact OG1-CD1 3.44Å; T738-F755 WeakPolarHBondContact OG1-CE1 3.3Å; T738-L763 WeakPolarHBondContact OG1-CD2 3.4Å; T738-M771 HydrophobicContact CG2-CE 3.95Å; T738-M771 HydrophobicContact CG2-SD 3.96Å; T738-M782 HydrophobicContact CG2-CE 4.5Å |
| 739 | E | 85.4 | Confident | 74.6 | Confident | 51 Ų | 51 | 53.6 Ų | 53.6 | 24% | 0.238 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.7 | -39.5 | 178.3 | -74.8 | 171.5 | -177.6 | 0 | 0 | 112.4 | T735 L736 F743 R767 M771 | T735-E739 WeakPolarHBondContact O-CG 3.32Å; T735-E739 PolarHBondContact O-N 2.91Å; L736-E739 PolarHBondContact O-N 3.41Å; E739-F743 WeakPolarHBondContact O-CD2 3.44Å; E739-R767 VanDerWaalsContact CD-NH2 3.26Å; E739-R767 IonicContact OE1-CZ 2.71Å; E739-R767 IonicContact OE1-NE 3.21Å; E739-R767 PolarHBondContact OE1-NE 2.91Å; E739-R767 IonicContact OE1-NH2 3.49Å; E739-R767 PolarHBondContact OE1-NH2 3.02Å; E739-R767 IonicContact OE2-CZ 2.68Å; E739-R767 IonicContact OE2-NE 2.88Å; E739-R767 IonicContact OE2-NH2 3.32Å; E739-R767 PolarHBondContact OE2-NH2 2.71Å; E739-M771 HydrophobicContact CB-SD 4.49Å; E739-M771 HydrophobicContact CG-CG 4.39Å; E739-M771 HydrophobicContact CG-SD 4.08Å |
| 740 | L | 81.8 | Confident | 73.3 | Confident | 37 Ų | 37 | 56.5 Ų | 56.5 | 19% | 0.194 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -71.7 | -38.2 | 179.4 | -73 | 159.8 | 0 | 0 | 0 | 113.6 | L622 L626 L736 T738 | L622-L740 HydrophobicContact CD2-CD1 3.66Å; L622-L740 HydrophobicContact CD2-CD2 4.09Å; L622-L740 HydrophobicContact CD2-CG 4.38Å; L622-L740 HydrophobicContact CG-CD1 3.65Å; L626-L740 HydrophobicContact CD1-CD1 3.44Å; L626-L740 VanDerWaalsContact CD1-CD1 3.44Å; L736-L740 WeakPolarHBondContact O-CB 3.46Å; L736-L740 WeakPolarHBondContact O-CD1 3.39Å; L736-L740 VanDerWaalsContact O-CG 3.29Å; L736-L740 WeakPolarHBondContact O-CG 3.35Å; L736-L740 PolarHBondContact O-N 3.05Å; T738-L740 VanDerWaalsContact C-N 3.33Å; T738-L740 PolarHBondContact O-N 3.46Å |
| 741 | S | 74.6 | Confident | 72.3 | Confident | 12 Ų | 12 | 62 Ų | 62 | 8% | 0.084 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -71.3 | -37.6 | -177.3 | -57.2 | 0 | 0 | 0 | 0 | 111.6 | Y737 T738 F743 R744 S752 | Y737-S741 WeakPolarHBondContact O-CB 3.32Å; Y737-S741 PolarHBondContact O-N 3.48Å; Y737-S741 VanDerWaalsContact O-N 3.12Å; Y737-S741 PolarHBondContact O-OG 3.23Å; T738-S741 PolarHBondContact O-N 3.45Å; S741-F743 VanDerWaalsContact C-N 3.29Å; S741-F743 PolarHBondContact O-N 3.21Å; S741-R744 PolarHBondContact O-N 2.93Å; S741-S752 VanDerWaalsContact C-OG 3.31Å; S741-S752 WeakPolarHBondContact CB-OG 3.36Å; S741-S752 PolarHBondContact O-OG 3.44Å |
| 742 | C | 70 | Confident | 71.6 | Confident | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.007 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.9 | -27.3 | 179.5 | -82.3 | 0 | 0 | 0 | 0 | 115.4 | T738 M771 Q779 | T738-C742 PolarHBondContact O-N 2.92Å; C742-M771 HydrophobicContact CB-CG 4.34Å; C742-M771 HydrophobicContact CB-SD 4.02Å; C742-M771 VanDerWaalsContact SG-CE 3.55Å; C742-M771 VanDerWaalsContact SG-SD 3.68Å; C742-Q779 PolarHBondContact O-NE2 3.39Å |
| 743 | F | 66.9 | Low | 71 | Confident | 122 Ų | 122 | 56.3 Ų | 56.3 | 54% | 0.535 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | 14.9 | -177.8 | -62.9 | -66.7 | 0 | 0 | 0 | 114.3 | E739 S741 M771 L774 | E739-F743 WeakPolarHBondContact O-CD2 3.44Å; S741-F743 VanDerWaalsContact C-N 3.29Å; S741-F743 PolarHBondContact O-N 3.21Å; F743-M771 HydrophobicContact CE2-CG 4.47Å; F743-L774 HydrophobicContact CZ-CB 4.43Å |
| 744 | R | 62 | Low | 70.6 | Confident | 92 Ų | 92 | 57.8 Ų | 57.8 | 35% | 0.347 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -111.3 | -164.4 | 177 | -67.9 | -175.6 | 171.3 | -99.8 | 8.8 | 112.9 | P619 S741 E748 | P619-R744 PolarHBondContact O-NH2 3.14Å; S741-R744 PolarHBondContact O-N 2.93Å; R744-E748 WeakPolarHBondContact CB-OE2 3.28Å |
| 745 | H | 55.5 | Low | 70.5 | Confident | 150 Ų | 150 | 58.3 Ų | 58.3 | 69% | 0.694 | 28% | 0.277 | S | S | * | . | trans | -68.5 | 155.9 | -160 | -71.9 | -75.8 | 0 | 0 | 0 | 113.7 | Q747 E748 | H745-Q747 PolarHBondContact O-N 3.08Å; H745-E748 PolarHBondContact O-N 3.21Å | ||
| 746 | Q | 51.5 | Low | 70.3 | Confident | 188 Ų | 188 | 58.3 Ų | 58.3 | 88% | 0.879 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | -20.2 | -175.4 | -71.9 | 176.1 | -38.4 | 0 | 0 | 116.1 | ||
| 747 | Q | 47.3 | Very low | 70.2 | Confident | 179 Ų | 179 | 58 Ų | 58 | 84% | 0.836 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -30.4 | 173.9 | -84.6 | 174.7 | -66.1 | 0 | 0 | 114 | H745 V749 | H745-Q747 PolarHBondContact O-N 3.08Å; Q747-V749 PolarHBondContact O-N 3.5Å |
| 748 | E | 54.8 | Low | 70 | Confident | 42 Ų | 42 | 58.7 Ų | 58.7 | 20% | 0.196 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -78.5 | -6.5 | 178.3 | -59.9 | -179.7 | 124.3 | 0 | 0 | 112 | K623 R744 H745 E751 S752 | K623-E748 IonicContact NZ-OE1 3.08Å; K623-E748 PolarHBondContact NZ-OE1 2.89Å; R744-E748 WeakPolarHBondContact CB-OE2 3.28Å; H745-E748 PolarHBondContact O-N 3.21Å; E748-E751 PolarHBondContact O-N 2.79Å; E748-S752 PolarHBondContact O-N 2.97Å; E748-S752 PolarHBondContact O-OG 2.76Å |
| 749 | V | 53.8 | Low | 70 | Confident | 25 Ų | 25 | 58.7 Ų | 58.7 | 15% | 0.152 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68 | -43.7 | -180 | -179.3 | 0 | 0 | 0 | 0 | 111.9 | Q747 E751 S752 A753 Q779 | Q747-V749 PolarHBondContact O-N 3.5Å; V749-E751 VanDerWaalsContact C-N 3.29Å; V749-E751 PolarHBondContact O-N 2.78Å; V749-S752 WeakPolarHBondContact O-CB 3.38Å; V749-S752 PolarHBondContact O-N 3.3Å; V749-A753 PolarHBondContact O-N 2.76Å; V749-Q779 HydrophobicContact CG1-CG 3.92Å |
| 750 | L | 57.7 | Low | 70 | Confident | 108 Ų | 108 | 56.4 Ų | 56.4 | 57% | 0.565 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -67.5 | -34 | 178.3 | -172.4 | 64.8 | 0 | 0 | 0 | 111.3 | T754 | L750-T754 VanDerWaalsContact O-CB 3.29Å; L750-T754 WeakPolarHBondContact O-CB 3.11Å; L750-T754 PolarHBondContact O-N 2.96Å; L750-T754 PolarHBondContact O-OG1 3.2Å |
| 751 | E | 65.9 | Low | 70.1 | Confident | 116 Ų | 116 | 56.3 Ų | 56.3 | 54% | 0.542 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.1 | -41.4 | 173.1 | -58.5 | -179.4 | 153.2 | 0 | 0 | 110.9 | E748 V749 T754 F755 | E748-E751 PolarHBondContact O-N 2.79Å; V749-E751 VanDerWaalsContact C-N 3.29Å; V749-E751 PolarHBondContact O-N 2.78Å; E751-T754 PolarHBondContact O-N 3.29Å; E751-F755 WeakPolarHBondContact O-CB 3.42Å; E751-F755 PolarHBondContact O-N 3.22Å |
| 752 | S | 72.3 | Confident | 70.6 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.007 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.8 | -46.8 | 175.8 | -56 | 0 | 0 | 0 | 0 | 112.5 | S741 E748 V749 F755 L756 | S741-S752 VanDerWaalsContact C-OG 3.31Å; S741-S752 WeakPolarHBondContact CB-OG 3.36Å; S741-S752 PolarHBondContact O-OG 3.44Å; E748-S752 PolarHBondContact O-N 2.97Å; E748-S752 PolarHBondContact O-OG 2.76Å; V749-S752 WeakPolarHBondContact O-CB 3.38Å; V749-S752 PolarHBondContact O-N 3.3Å; S752-F755 PolarHBondContact O-N 2.81Å; S752-L756 PolarHBondContact O-N 2.94Å |
| 753 | A | 74.4 | Confident | 71.5 | Confident | 8 Ų | 8 | 56.3 Ų | 56.3 | 7% | 0.066 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.1 | -40.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V749 L756 R757 M782 | V749-A753 PolarHBondContact O-N 2.76Å; A753-L756 PolarHBondContact O-N 3.34Å; A753-R757 VanDerWaalsContact O-CG 3.29Å; A753-R757 WeakPolarHBondContact O-CG 3.48Å; A753-R757 PolarHBondContact O-N 3.47Å; A753-R757 VanDerWaalsContact O-N 3.08Å; A753-M782 WeakPolarHBondContact CA-SD 3.32Å; A753-M782 HydrophobicContact CB-SD 3.73Å; A753-M782 PolarHBondContact N-SD 3.45Å |
| 754 | T | 78.8 | Confident | 72.4 | Confident | 33 Ų | 33 | 53.5 Ų | 53.5 | 20% | 0.202 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.3 | -44.2 | 177 | -58.4 | 0 | 0 | 0 | 0 | 111.3 | L750 E751 L756 R757 R758 | L750-T754 VanDerWaalsContact O-CB 3.29Å; L750-T754 WeakPolarHBondContact O-CB 3.11Å; L750-T754 PolarHBondContact O-N 2.96Å; L750-T754 PolarHBondContact O-OG1 3.2Å; E751-T754 PolarHBondContact O-N 3.29Å; T754-L756 PolarHBondContact O-N 3.28Å; T754-R757 PolarHBondContact O-N 2.79Å; T754-R758 HydrophobicContact CG2-CG 4.38Å; T754-R758 WeakPolarHBondContact O-CB 3.39Å; T754-R758 WeakPolarHBondContact O-CG 3.08Å; T754-R758 PolarHBondContact O-N 2.7Å |
| 755 | F | 83.4 | Confident | 73.7 | Confident | 12 Ų | 12 | 51 Ų | 51 | 5% | 0.053 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.7 | -45.8 | 175.9 | -173.6 | -90.6 | 0 | 0 | 0 | 111.6 | L630 L633 A734 Y737 T738 E751 S752 R757 R758 Y759 L763 | L630-F755 HydrophobicContact CD1-CD2 4.3Å; L630-F755 HydrophobicContact CD1-CE2 3.64Å; L633-F755 HydrophobicContact CD2-CE2 4.21Å; L633-F755 HydrophobicContact CD2-CZ 4.2Å; A734-F755 HydrophobicContact CB-CE1 4.33Å; A734-F755 HydrophobicContact CB-CZ 4.27Å; Y737-F755 AromaticContact CD1-CD1 3.89Å; Y737-F755 HydrophobicContact CD1-CD1 3.89Å; Y737-F755 AromaticContact CD1-CD2 3.85Å; Y737-F755 HydrophobicContact CD1-CD2 3.85Å; Y737-F755 AromaticContact CD1-CE1 3.77Å; Y737-F755 HydrophobicContact CD1-CE1 3.77Å; Y737-F755 AromaticContact CD1-CE2 3.75Å; Y737-F755 HydrophobicContact CD1-CE2 3.75Å; Y737-F755 AromaticContact CD1-CG 3.94Å; Y737-F755 HydrophobicContact CD1-CG 3.94Å; Y737-F755 AromaticContact CD1-CZ 3.71Å; Y737-F755 HydrophobicContact CD1-CZ 3.71Å; Y737-F755 HydrophobicContact CE1-CB 4.47Å; Y737-F755 HydrophobicContact CE1-CD1 4.29Å; Y737-F755 AromaticContact CE1-CD2 3.68Å; Y737-F755 HydrophobicContact CE1-CD2 3.68Å; Y737-F755 AromaticContact CE1-CE2 3.95Å; Y737-F755 HydrophobicContact CE1-CE2 3.95Å; Y737-F755 AromaticContact CE1-CG 3.88Å; Y737-F755 HydrophobicContact CE1-CG 3.88Å; Y737-F755 HydrophobicContact CE1-CZ 4.37Å; Y737-F755 HydrophobicContact CG-CZ 4.47Å; T738-F755 WeakPolarHBondContact OG1-CD1 3.44Å; T738-F755 WeakPolarHBondContact OG1-CE1 3.3Å; E751-F755 WeakPolarHBondContact O-CB 3.42Å; E751-F755 PolarHBondContact O-N 3.22Å; S752-F755 PolarHBondContact O-N 2.81Å; F755-R757 VanDerWaalsContact C-N 3.33Å; F755-R757 PolarHBondContact O-N 2.78Å; F755-R758 PolarHBondContact O-N 2.9Å; F755-Y759 HydrophobicContact CD1-CD2 4.35Å; F755-Y759 AromaticContact CD2-CD2 3.42Å; F755-Y759 HydrophobicContact CD2-CD2 3.42Å; F755-Y759 VanDerWaalsContact CD2-CD2 3.42Å; F755-Y759 AromaticContact CD2-CE2 3.67Å; F755-Y759 HydrophobicContact CD2-CE2 3.67Å; F755-Y759 HydrophobicContact CE1-CD2 4.28Å; F755-Y759 AromaticContact CE2-CD2 3.32Å; F755-Y759 HydrophobicContact CE2-CD2 3.32Å; F755-Y759 AromaticContact CE2-CE2 3.65Å; F755-Y759 HydrophobicContact CE2-CE2 3.65Å; F755-Y759 HydrophobicContact CE2-CG 4.19Å; F755-Y759 AromaticContact CG-CD2 3.94Å; F755-Y759 HydrophobicContact CG-CD2 3.94Å; F755-Y759 AromaticContact CZ-CD2 3.79Å; F755-Y759 HydrophobicContact CZ-CD2 3.79Å; F755-Y759 HydrophobicContact CZ-CG 4.27Å; F755-Y759 PolarHBondContact O-N 2.86Å; F755-L763 HydrophobicContact CE1-CD2 4.32Å |
| 756 | L | 84.1 | Confident | 75.2 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -56.7 | -46.2 | 174.9 | -175.5 | 158.2 | 0 | 0 | 0 | 111.3 | S752 A753 T754 F760 L763 V768 M782 F786 | S752-L756 PolarHBondContact O-N 2.94Å; A753-L756 PolarHBondContact O-N 3.34Å; T754-L756 PolarHBondContact O-N 3.28Å; L756-F760 HydrophobicContact CD2-CD2 4.04Å; L756-F760 HydrophobicContact CG-CD2 4.46Å; L756-F760 WeakPolarHBondContact O-CA 3.43Å; L756-F760 VanDerWaalsContact O-CB 3.32Å; L756-F760 WeakPolarHBondContact O-CB 3.34Å; L756-F760 PolarHBondContact O-N 3.19Å; L756-F760 VanDerWaalsContact O-N 3.09Å; L756-L763 HydrophobicContact CB-CD1 4.42Å; L756-L763 HydrophobicContact CG-CD1 4.15Å; L756-V768 HydrophobicContact CD1-CG1 3.76Å; L756-M782 HydrophobicContact CB-CE 4.11Å; L756-M782 HydrophobicContact CD1-CE 3.49Å; L756-M782 VanDerWaalsContact CD1-CE 3.49Å; L756-M782 HydrophobicContact CG-CE 4.45Å; L756-F786 HydrophobicContact CD1-CB 4.39Å |
| 757 | R | 84 | Confident | 77 | Confident | 15 Ų | 15 | 39.9 Ų | 39.9 | 6% | 0.057 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68.3 | -34 | -179.8 | -65 | 173.5 | 81.2 | 88.1 | 7.4 | 112.5 | E712 I714 R715 A753 T754 F755 S785 E788 | E712-R757 PolarHBondContact O-NE 2.91Å; E712-R757 PolarHBondContact O-NH2 3.32Å; E712-R757 VanDerWaalsContact O-NH2 3.14Å; I714-R757 WeakPolarHBondContact CA-O 3.41Å; I714-R757 HydrophobicContact CD1-CG 4.35Å; I714-R757 HydrophobicContact CG1-CB 4.2Å; I714-R757 HydrophobicContact CG1-CG 4.07Å; R715-R757 PolarHBondContact N-O 2.98Å; A753-R757 VanDerWaalsContact O-CG 3.29Å; A753-R757 WeakPolarHBondContact O-CG 3.48Å; A753-R757 PolarHBondContact O-N 3.47Å; A753-R757 VanDerWaalsContact O-N 3.08Å; T754-R757 PolarHBondContact O-N 2.79Å; F755-R757 VanDerWaalsContact C-N 3.33Å; F755-R757 PolarHBondContact O-N 2.78Å; R757-S785 PolarHBondContact NH1-OG 2.84Å; R757-S785 VanDerWaalsContact NH1-OG 3.1Å; R757-E788 IonicContact CZ-OE1 2.81Å; R757-E788 IonicContact CZ-OE2 2.83Å; R757-E788 VanDerWaalsContact CZ-OE2 3.31Å; R757-E788 IonicContact NH1-OE1 3.49Å; R757-E788 IonicContact NH1-OE2 3.76Å; R757-E788 PolarHBondContact NH1-OE2 2.67Å; R757-E788 VanDerWaalsContact NH2-CD 3.28Å; R757-E788 IonicContact NH2-OE1 3.92Å; R757-E788 PolarHBondContact NH2-OE1 3.31Å; R757-E788 IonicContact NH2-OE2 3.74Å; R757-E788 PolarHBondContact NH2-OE2 3.37Å |
| 758 | R | 82.6 | Confident | 78.9 | Confident | 41 Ų | 41 | 31.4 Ų | 31.4 | 16% | 0.155 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -76.1 | -37.4 | 178.9 | -74.8 | 179.2 | -179.1 | 176.6 | 6.1 | 114.6 | E634 P639 E712 R715 T754 F755 | E634-R758 IonicContact OE1-NH1 2.67Å; P639-R758 HydrophobicContact CG-CG 4.01Å; E712-R758 IonicContact OE1-CZ 3.56Å; E712-R758 IonicContact OE1-NE 3.9Å; E712-R758 IonicContact OE1-NH2 2.77Å; E712-R758 PolarHBondContact OE1-NH2 3.26Å; E712-R758 WeakPolarHBondContact OE2-CG 3.35Å; E712-R758 IonicContact OE2-CZ 3.57Å; E712-R758 IonicContact OE2-NE 3.79Å; E712-R758 PolarHBondContact OE2-NE 3.26Å; E712-R758 IonicContact OE2-NH2 3.67Å; E712-R758 PolarHBondContact OE2-NH2 2.87Å; R715-R758 WeakPolarHBondContact CB-O 3.37Å; R715-R758 VanDerWaalsContact CD-O 3.28Å; R715-R758 WeakPolarHBondContact CD-O 3.27Å; T754-R758 HydrophobicContact CG2-CG 4.38Å; T754-R758 WeakPolarHBondContact O-CB 3.39Å; T754-R758 WeakPolarHBondContact O-CG 3.08Å; T754-R758 PolarHBondContact O-N 2.7Å; F755-R758 PolarHBondContact O-N 2.9Å |
| 759 | Y | 83.8 | Confident | 80.6 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -121.6 | 18.3 | -169.4 | -56.8 | -71.6 | 0 | 0 | 0 | 113.9 | L633 E634 L637 G638 F755 F761 L762 | L633-Y759 HydrophobicContact CD2-CD1 4.35Å; L633-Y759 HydrophobicContact CD2-CE1 4.37Å; L633-Y759 HydrophobicContact CG-CE1 4.47Å; E634-Y759 WeakPolarHBondContact CA-OH 3.34Å; E634-Y759 WeakPolarHBondContact CG-OH 3.46Å; E634-Y759 PolarHBondContact OE1-OH 3.07Å; L637-Y759 HydrophobicContact CB-CE1 4.44Å; G638-Y759 WeakPolarHBondContact CA-OH 3.37Å; F755-Y759 HydrophobicContact CD1-CD2 4.35Å; F755-Y759 AromaticContact CD2-CD2 3.42Å; F755-Y759 HydrophobicContact CD2-CD2 3.42Å; F755-Y759 VanDerWaalsContact CD2-CD2 3.42Å; F755-Y759 AromaticContact CD2-CE2 3.67Å; F755-Y759 HydrophobicContact CD2-CE2 3.67Å; F755-Y759 HydrophobicContact CE1-CD2 4.28Å; F755-Y759 AromaticContact CE2-CD2 3.32Å; F755-Y759 HydrophobicContact CE2-CD2 3.32Å; F755-Y759 AromaticContact CE2-CE2 3.65Å; F755-Y759 HydrophobicContact CE2-CE2 3.65Å; F755-Y759 HydrophobicContact CE2-CG 4.19Å; F755-Y759 AromaticContact CG-CD2 3.94Å; F755-Y759 HydrophobicContact CG-CD2 3.94Å; F755-Y759 AromaticContact CZ-CD2 3.79Å; F755-Y759 HydrophobicContact CZ-CD2 3.79Å; F755-Y759 HydrophobicContact CZ-CG 4.27Å; F755-Y759 PolarHBondContact O-N 2.86Å; Y759-F761 HydrophobicContact CD1-CE1 4.35Å; Y759-F761 HydrophobicContact CD1-CZ 4.42Å; Y759-F761 PolarHBondContact O-N 2.87Å; Y759-L762 HydrophobicContact CD1-CD1 4.5Å; Y759-L762 PolarHBondContact O-N 3.15Å |
| 760 | F | 85.1 | Confident | 82.1 | Confident | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.009 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -49 | -35.2 | -179.1 | -169.8 | -102.6 | 0 | 0 | 0 | 114.3 | I714 L756 L762 L763 Q765 F786 A789 M790 L793 | I714-F760 HydrophobicContact CG2-CB 4.37Å; L756-F760 HydrophobicContact CD2-CD2 4.04Å; L756-F760 HydrophobicContact CG-CD2 4.46Å; L756-F760 WeakPolarHBondContact O-CA 3.43Å; L756-F760 VanDerWaalsContact O-CB 3.32Å; L756-F760 WeakPolarHBondContact O-CB 3.34Å; L756-F760 PolarHBondContact O-N 3.19Å; L756-F760 VanDerWaalsContact O-N 3.09Å; F760-L762 PolarHBondContact O-N 3.15Å; F760-L763 PolarHBondContact O-N 2.74Å; F760-L763 VanDerWaalsContact O-N 3.15Å; F760-Q765 HydrophobicContact CZ-CG 4.2Å; F760-F786 AromaticContact CE2-CD2 3.83Å; F760-F786 HydrophobicContact CE2-CD2 3.83Å; F760-F786 HydrophobicContact CE2-CE2 4.03Å; F760-F786 HydrophobicContact CZ-CE2 4.39Å; F760-A789 HydrophobicContact CB-CB 4.5Å; F760-A789 HydrophobicContact CD1-CB 3.75Å; F760-A789 HydrophobicContact CD2-CB 3.51Å; F760-A789 HydrophobicContact CE1-CB 3.72Å; F760-A789 HydrophobicContact CE2-CB 3.49Å; F760-A789 VanDerWaalsContact CE2-CB 3.49Å; F760-A789 HydrophobicContact CG-CB 3.64Å; F760-A789 HydrophobicContact CZ-CB 3.59Å; F760-M790 HydrophobicContact CE1-SD 4.24Å; F760-M790 HydrophobicContact CZ-CG 3.91Å; F760-M790 HydrophobicContact CZ-SD 3.68Å; F760-L793 HydrophobicContact CE1-CD2 4.45Å |
| 761 | F | 83.2 | Confident | 83.5 | Confident | 35 Ų | 35 | 31 Ų | 31 | 15% | 0.154 | 14% | 0.138 | C | C | . | . | G | 310 helix | trans | -63.5 | -17.3 | 177.5 | 67.7 | -88.9 | 0 | 0 | 0 | 114.8 | L637 R715 S718 Y759 | L637-F761 HydrophobicContact CB-CZ 4.45Å; R715-F761 HydrophobicContact CB-CD1 4.15Å; R715-F761 HydrophobicContact CB-CE1 4.37Å; R715-F761 PolarHBondContact O-N 2.86Å; S718-F761 WeakPolarHBondContact OG-CE2 3.29Å; Y759-F761 HydrophobicContact CD1-CE1 4.35Å; Y759-F761 HydrophobicContact CD1-CZ 4.42Å; Y759-F761 PolarHBondContact O-N 2.87Å |
| 762 | L | 85.9 | Confident | 84.4 | Confident | 5 Ų | 5 | 25.4 Ų | 25.4 | 3% | 0.026 | 11% | 0.113 | C | C | . | . | G | 310 helix | trans | -94.3 | -21.2 | 173.3 | -62.7 | 177 | 0 | 0 | 0 | 113.1 | L633 L637 L722 L730 S731 A734 Y759 F760 | L633-L762 HydrophobicContact CD1-CD1 3.95Å; L637-L762 HydrophobicContact CD1-CD1 4.26Å; L722-L762 HydrophobicContact CD1-CD2 3.65Å; L730-L762 HydrophobicContact CB-CD2 4.24Å; L730-L762 HydrophobicContact CD1-CD2 4.47Å; S731-L762 WeakPolarHBondContact CA-O 3.17Å; S731-L762 WeakPolarHBondContact CB-O 3.48Å; S731-L762 PolarHBondContact OG-O 3.25Å; A734-L762 HydrophobicContact CB-CB 4.14Å; Y759-L762 HydrophobicContact CD1-CD1 4.5Å; Y759-L762 PolarHBondContact O-N 3.15Å; F760-L762 PolarHBondContact O-N 3.15Å |
| 763 | L | 87.9 | Confident | 85.1 | Confident | 8 Ų | 8 | 27.3 Ų | 27.3 | 4% | 0.042 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -80 | 141.1 | -165.1 | -62.7 | 177.9 | 0 | 0 | 0 | 113.6 | A734 T738 F755 L756 F760 Q765 V768 | A734-L763 HydrophobicContact CB-CD2 3.77Å; A734-L763 WeakPolarHBondContact O-CD2 3.12Å; T738-L763 WeakPolarHBondContact OG1-CD2 3.4Å; F755-L763 HydrophobicContact CE1-CD2 4.32Å; L756-L763 HydrophobicContact CB-CD1 4.42Å; L756-L763 HydrophobicContact CG-CD1 4.15Å; F760-L763 PolarHBondContact O-N 2.74Å; F760-L763 VanDerWaalsContact O-N 3.15Å; L763-Q765 PolarHBondContact O-N 2.93Å; L763-V768 HydrophobicContact CB-CG2 3.98Å; L763-V768 HydrophobicContact CD1-CG2 4.2Å |
| 764 | D | 87.2 | Confident | 85.5 | Confident | 63 Ų | 63 | 33.5 Ų | 33.5 | 34% | 0.337 | 15% | 0.154 | S | C | . | . | trans | -69 | 101.7 | 166.6 | 178.6 | -8.7 | 0 | 0 | 0 | 109.6 | T735 E766 R767 V768 | T735-D764 HydrophobicContact CG2-CB 4.26Å; T735-D764 PolarHBondContact OG1-N 3.32Å; D764-E766 PolarHBondContact O-N 2.93Å; D764-E766 VanDerWaalsContact O-N 3.13Å; D764-E766 PolarHBondContact OD1-N 3.3Å; D764-R767 HydrophobicContact CB-CB 4.03Å; D764-R767 HydrophobicContact CB-CG 4.24Å; D764-R767 PolarHBondContact O-N 2.77Å; D764-R767 VanDerWaalsContact O-N 3.14Å; D764-R767 PolarHBondContact OD1-N 3.26Å; D764-R767 WeakPolarHBondContact OD2-CD 3.49Å; D764-R767 VanDerWaalsContact OD2-CG 3.32Å; D764-R767 WeakPolarHBondContact OD2-CG 3.42Å; D764-V768 WeakPolarHBondContact O-CG2 3.39Å; D764-V768 PolarHBondContact O-N 3.44Å | ||
| 765 | Q | 88.5 | Confident | 85.5 | Confident | 39 Ų | 39 | 32 Ų | 32 | 18% | 0.182 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -55.3 | -29 | -178.8 | -60.6 | 165.7 | 11.7 | 0 | 0 | 113.6 | F760 L763 R769 F786 M790 L793 P824 H825 | F760-Q765 HydrophobicContact CZ-CG 4.2Å; L763-Q765 PolarHBondContact O-N 2.93Å; Q765-R769 VanDerWaalsContact O-CB 3.26Å; Q765-R769 WeakPolarHBondContact O-CB 3.44Å; Q765-R769 PolarHBondContact O-N 3.41Å; Q765-F786 VanDerWaalsContact O-CZ 3.29Å; Q765-F786 WeakPolarHBondContact O-CZ 3.49Å; Q765-M790 HydrophobicContact CB-SD 4.28Å; Q765-M790 HydrophobicContact CG-SD 4.03Å; Q765-L793 VanDerWaalsContact NE2-CD2 3.3Å; Q765-P824 HydrophobicContact CB-CB 4.14Å; Q765-P824 HydrophobicContact CB-CG 3.97Å; Q765-P824 WeakPolarHBondContact O-CG 3.47Å; Q765-H825 PolarHBondContact OE1-CE1 3.37Å; Q765-H825 PolarHBondContact OE1-ND1 3.41Å |
| 766 | E | 87.6 | Confident | 85.3 | Confident | 47 Ų | 47 | 35.1 Ų | 35.1 | 22% | 0.22 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -86 | -31.5 | -179.3 | 175.1 | 58 | -164.6 | 0 | 0 | 112 | D764 R769 R770 | D764-E766 PolarHBondContact O-N 2.93Å; D764-E766 VanDerWaalsContact O-N 3.13Å; D764-E766 PolarHBondContact OD1-N 3.3Å; E766-R769 VanDerWaalsContact CD-NH2 3.35Å; E766-R769 IonicContact OE1-CZ 2.73Å; E766-R769 IonicContact OE1-NE 3.26Å; E766-R769 IonicContact OE1-NH2 3.52Å; E766-R769 PolarHBondContact OE1-NH2 3.16Å; E766-R769 IonicContact OE2-CZ 3.37Å; E766-R769 IonicContact OE2-NE 3.36Å; E766-R769 PolarHBondContact OE2-NE 3.2Å; E766-R769 IonicContact OE2-NH2 2.72Å; E766-R769 PolarHBondContact OE2-NH2 3.18Å; E766-R770 WeakPolarHBondContact O-CD 3.47Å; E766-R770 VanDerWaalsContact O-CG 3.29Å; E766-R770 WeakPolarHBondContact O-CG 3.48Å; E766-R770 PolarHBondContact O-N 2.88Å; E766-R770 IonicContact OE1-CZ 3.57Å; E766-R770 IonicContact OE1-NE 2.75Å; E766-R770 PolarHBondContact OE1-NE 3.13Å; E766-R770 IonicContact OE1-NH2 3.43Å; E766-R770 PolarHBondContact OE1-NH2 2.91Å |
| 767 | R | 88.8 | Confident | 84.9 | Confident | 59 Ų | 59 | 43.9 Ų | 43.9 | 22% | 0.223 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.8 | -51.6 | 167.1 | -79.3 | 175.7 | 68.3 | 175.7 | 3.3 | 111.2 | T735 L736 E739 D764 R769 R770 M771 | T735-R767 HydrophobicContact CG2-CB 3.63Å; T735-R767 HydrophobicContact CG2-CG 4.34Å; L736-R767 VanDerWaalsContact CD2-NH2 3.33Å; E739-R767 VanDerWaalsContact CD-NH2 3.26Å; E739-R767 IonicContact OE1-CZ 2.71Å; E739-R767 IonicContact OE1-NE 3.21Å; E739-R767 PolarHBondContact OE1-NE 2.91Å; E739-R767 IonicContact OE1-NH2 3.49Å; E739-R767 PolarHBondContact OE1-NH2 3.02Å; E739-R767 IonicContact OE2-CZ 2.68Å; E739-R767 IonicContact OE2-NE 2.88Å; E739-R767 IonicContact OE2-NH2 3.32Å; E739-R767 PolarHBondContact OE2-NH2 2.71Å; D764-R767 HydrophobicContact CB-CB 4.03Å; D764-R767 HydrophobicContact CB-CG 4.24Å; D764-R767 PolarHBondContact O-N 2.77Å; D764-R767 VanDerWaalsContact O-N 3.14Å; D764-R767 PolarHBondContact OD1-N 3.26Å; D764-R767 WeakPolarHBondContact OD2-CD 3.49Å; D764-R767 VanDerWaalsContact OD2-CG 3.32Å; D764-R767 WeakPolarHBondContact OD2-CG 3.42Å; R767-R769 VanDerWaalsContact C-N 3.32Å; R767-R769 PolarHBondContact O-N 2.81Å; R767-R770 PolarHBondContact O-N 3.01Å; R767-M771 PolarHBondContact O-N 2.74Å |
| 768 | V | 87.6 | Confident | 84.6 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.5 | -39.1 | 179 | 177.6 | 0 | 0 | 0 | 0 | 111.5 | T735 L756 L763 D764 R770 M771 C772 F786 | T735-V768 HydrophobicContact CG2-CG2 4.29Å; L756-V768 HydrophobicContact CD1-CG1 3.76Å; L763-V768 HydrophobicContact CB-CG2 3.98Å; L763-V768 HydrophobicContact CD1-CG2 4.2Å; D764-V768 WeakPolarHBondContact O-CG2 3.39Å; D764-V768 PolarHBondContact O-N 3.44Å; V768-R770 VanDerWaalsContact C-N 3.35Å; V768-R770 PolarHBondContact O-N 3.05Å; V768-M771 HydrophobicContact CG1-CE 4.02Å; V768-M771 PolarHBondContact O-N 3.07Å; V768-C772 WeakPolarHBondContact O-CB 3.31Å; V768-C772 PolarHBondContact O-N 3.25Å; V768-C772 PolarHBondContact O-SG 2.69Å; V768-F786 HydrophobicContact CB-CD2 4.23Å; V768-F786 HydrophobicContact CB-CE2 4.04Å; V768-F786 HydrophobicContact CG1-CD2 3.5Å; V768-F786 HydrophobicContact CG1-CE2 3.84Å; V768-F786 HydrophobicContact CG1-CG 4.42Å |
| 769 | R | 89.2 | Confident | 84.3 | Confident | 18 Ų | 18 | 49.3 Ų | 49.3 | 7% | 0.068 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -55 | -48.3 | 172.4 | -175.5 | -176.2 | 68.4 | 89.1 | -0.4 | 112.2 | Q765 E766 R767 C772 L773 F786 P824 L827 D856 | Q765-R769 VanDerWaalsContact O-CB 3.26Å; Q765-R769 WeakPolarHBondContact O-CB 3.44Å; Q765-R769 PolarHBondContact O-N 3.41Å; E766-R769 VanDerWaalsContact CD-NH2 3.35Å; E766-R769 IonicContact OE1-CZ 2.73Å; E766-R769 IonicContact OE1-NE 3.26Å; E766-R769 IonicContact OE1-NH2 3.52Å; E766-R769 PolarHBondContact OE1-NH2 3.16Å; E766-R769 IonicContact OE2-CZ 3.37Å; E766-R769 IonicContact OE2-NE 3.36Å; E766-R769 PolarHBondContact OE2-NE 3.2Å; E766-R769 IonicContact OE2-NH2 2.72Å; E766-R769 PolarHBondContact OE2-NH2 3.18Å; R767-R769 VanDerWaalsContact C-N 3.32Å; R767-R769 PolarHBondContact O-N 2.81Å; R769-C772 PolarHBondContact O-N 3.43Å; R769-L773 WeakPolarHBondContact O-CG 3.48Å; R769-L773 PolarHBondContact O-N 3.04Å; R769-F786 HydrophobicContact CB-CE1 3.96Å; R769-F786 HydrophobicContact CB-CZ 3.75Å; R769-F786 HydrophobicContact CG-CE1 4.18Å; R769-F786 HydrophobicContact CG-CZ 4.44Å; R769-P824 HydrophobicContact CB-CG 4.37Å; R769-L827 HydrophobicContact CG-CD1 4.4Å; R769-D856 IonicContact CZ-OD1 2.71Å; R769-D856 IonicContact NH1-OD1 3.19Å; R769-D856 PolarHBondContact NH1-OD1 3.06Å; R769-D856 IonicContact NH1-OD2 2.7Å; R769-D856 PolarHBondContact NH1-OD2 3.48Å |
| 770 | R | 87.2 | Confident | 84.1 | Confident | 141 Ų | 141 | 52.8 Ų | 52.8 | 53% | 0.532 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.6 | -41.5 | -179 | -66.6 | 167 | -169.6 | -174.6 | 5.1 | 111.7 | E766 R767 V768 L773 L774 | E766-R770 WeakPolarHBondContact O-CD 3.47Å; E766-R770 VanDerWaalsContact O-CG 3.29Å; E766-R770 WeakPolarHBondContact O-CG 3.48Å; E766-R770 PolarHBondContact O-N 2.88Å; E766-R770 IonicContact OE1-CZ 3.57Å; E766-R770 IonicContact OE1-NE 2.75Å; E766-R770 PolarHBondContact OE1-NE 3.13Å; E766-R770 IonicContact OE1-NH2 3.43Å; E766-R770 PolarHBondContact OE1-NH2 2.91Å; R767-R770 PolarHBondContact O-N 3.01Å; V768-R770 VanDerWaalsContact C-N 3.35Å; V768-R770 PolarHBondContact O-N 3.05Å; R770-L773 PolarHBondContact O-N 2.93Å; R770-L774 WeakPolarHBondContact O-CG 3.48Å; R770-L774 PolarHBondContact O-N 3.49Å; R770-L774 VanDerWaalsContact O-N 3.07Å |
| 771 | M | 85.9 | Confident | 83.8 | Confident | 7 Ų | 7 | 58.3 Ų | 58.3 | 3% | 0.034 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.9 | -49.5 | 173.3 | -179.2 | -156.7 | 77.2 | 0 | 0 | 111.3 | T738 E739 C742 F743 R767 V768 L773 L774 C775 M782 | T738-M771 HydrophobicContact CG2-CE 3.95Å; T738-M771 HydrophobicContact CG2-SD 3.96Å; E739-M771 HydrophobicContact CB-SD 4.49Å; E739-M771 HydrophobicContact CG-CG 4.39Å; E739-M771 HydrophobicContact CG-SD 4.08Å; C742-M771 HydrophobicContact CB-CG 4.34Å; C742-M771 HydrophobicContact CB-SD 4.02Å; C742-M771 VanDerWaalsContact SG-CE 3.55Å; C742-M771 VanDerWaalsContact SG-SD 3.68Å; F743-M771 HydrophobicContact CE2-CG 4.47Å; R767-M771 PolarHBondContact O-N 2.74Å; V768-M771 HydrophobicContact CG1-CE 4.02Å; V768-M771 PolarHBondContact O-N 3.07Å; M771-L773 VanDerWaalsContact C-N 3.33Å; M771-L773 PolarHBondContact O-N 2.99Å; M771-L774 PolarHBondContact O-N 3.2Å; M771-L774 VanDerWaalsContact O-N 3.11Å; M771-C775 PolarHBondContact O-N 2.85Å; M771-C775 PolarHBondContact O-SG 3.2Å; M771-C775 VanDerWaalsContact O-SG 3.41Å; M771-M782 HydrophobicContact CE-CE 3.9Å |
| 772 | C | 86.1 | Confident | 83.8 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.2 | -36.2 | 177.9 | -70.7 | 0 | 0 | 0 | 0 | 113.2 | V768 R769 Y776 M783 | V768-C772 WeakPolarHBondContact O-CB 3.31Å; V768-C772 PolarHBondContact O-N 3.25Å; V768-C772 PolarHBondContact O-SG 2.69Å; R769-C772 PolarHBondContact O-N 3.43Å; C772-Y776 WeakPolarHBondContact O-CA 3.28Å; C772-Y776 WeakPolarHBondContact O-CB 3.35Å; C772-Y776 PolarHBondContact O-N 3.23Å; C772-M783 HydrophobicContact CB-CB 4.29Å; C772-M783 HydrophobicContact CB-SD 3.72Å |
| 773 | L | 85.4 | Confident | 83.7 | Confident | 41 Ų | 41 | 56.7 Ų | 56.7 | 22% | 0.215 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66 | -40.9 | 172.9 | -70.6 | 173.2 | 0 | 0 | 0 | 112 | R769 R770 M771 Y776 A855 T859 | R769-L773 WeakPolarHBondContact O-CG 3.48Å; R769-L773 PolarHBondContact O-N 3.04Å; R770-L773 PolarHBondContact O-N 2.93Å; M771-L773 VanDerWaalsContact C-N 3.33Å; M771-L773 PolarHBondContact O-N 2.99Å; L773-Y776 PolarHBondContact O-N 2.99Å; L773-A855 HydrophobicContact CD2-CB 4.23Å; L773-T859 HydrophobicContact CD2-CG2 3.92Å |
| 774 | L | 83 | Confident | 83.5 | Confident | 138 Ų | 138 | 59.6 Ų | 59.6 | 72% | 0.723 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -68.2 | -35.1 | 179.6 | -71.5 | 169.1 | 0 | 0 | 0 | 112.8 | F743 R770 M771 | F743-L774 HydrophobicContact CZ-CB 4.43Å; R770-L774 WeakPolarHBondContact O-CG 3.48Å; R770-L774 PolarHBondContact O-N 3.49Å; R770-L774 VanDerWaalsContact O-N 3.07Å; M771-L774 PolarHBondContact O-N 3.2Å; M771-L774 VanDerWaalsContact O-N 3.11Å |
| 775 | C | 78.7 | Confident | 83.4 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.007 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -93.3 | -1.1 | 177.1 | 71.4 | 0 | 0 | 0 | 0 | 114.6 | M771 Q777 Q778 Q779 | M771-C775 PolarHBondContact O-N 2.85Å; M771-C775 PolarHBondContact O-SG 3.2Å; M771-C775 VanDerWaalsContact O-SG 3.41Å; C775-Q777 VanDerWaalsContact C-N 3.32Å; C775-Q777 PolarHBondContact O-N 3.31Å; C775-Q777 VanDerWaalsContact O-N 3.13Å; C775-Q778 CarbonylContact O-C 3.36Å; C775-Q778 WeakPolarHBondContact O-CA 3.32Å; C775-Q778 PolarHBondContact O-N 3.29Å; C775-Q779 HydrophobicContact CB-CB 4.4Å; C775-Q779 PolarHBondContact O-N 3.44Å |
| 776 | Y | 80.6 | Confident | 83.4 | Confident | 77 Ų | 77 | 55.3 Ų | 55.3 | 30% | 0.302 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -41.7 | -169.6 | -176.3 | -118.6 | 0 | 0 | 0 | 114.7 | C772 L773 Q778 P780 M783 T859 | C772-Y776 WeakPolarHBondContact O-CA 3.28Å; C772-Y776 WeakPolarHBondContact O-CB 3.35Å; C772-Y776 PolarHBondContact O-N 3.23Å; L773-Y776 PolarHBondContact O-N 2.99Å; Y776-Q778 PolarHBondContact O-N 3.4Å; Y776-P780 HydrophobicContact CE2-CB 4.43Å; Y776-M783 HydrophobicContact CD2-CB 3.8Å; Y776-M783 HydrophobicContact CD2-CG 4.06Å; Y776-M783 HydrophobicContact CE2-CB 4.14Å; Y776-M783 HydrophobicContact CE2-CG 4.19Å; Y776-T859 HydrophobicContact CD1-CG2 4.32Å; Y776-T859 HydrophobicContact CD2-CG2 4.05Å; Y776-T859 HydrophobicContact CE1-CG2 4.19Å; Y776-T859 HydrophobicContact CE2-CG2 3.92Å; Y776-T859 HydrophobicContact CG-CG2 4.25Å |
| 777 | Q | 74.4 | Confident | 83.3 | Confident | 185 Ų | 185 | 54.1 Ų | 54.1 | 86% | 0.864 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -17.7 | 178 | -66.8 | -173.7 | -10.3 | 0 | 0 | 114.1 | C775 | C775-Q777 VanDerWaalsContact C-N 3.32Å; C775-Q777 PolarHBondContact O-N 3.31Å; C775-Q777 VanDerWaalsContact O-N 3.13Å |
| 778 | Q | 78.3 | Confident | 83.2 | Confident | 152 Ų | 152 | 55.5 Ų | 55.5 | 71% | 0.71 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.3 | -29.8 | -175.6 | -58.6 | 179.4 | 8.1 | 0 | 0 | 112.4 | C775 Y776 | C775-Q778 CarbonylContact O-C 3.36Å; C775-Q778 WeakPolarHBondContact O-CA 3.32Å; C775-Q778 PolarHBondContact O-N 3.29Å; Y776-Q778 PolarHBondContact O-N 3.4Å |
| 779 | Q | 75.6 | Confident | 83.1 | Confident | 18 Ų | 18 | 55.5 Ų | 55.5 | 8% | 0.084 | 27% | 0.272 | C | S | . | . | trans | -142.9 | 67.1 | -172.5 | -64 | 174.9 | 10.1 | 0 | 0 | 111.5 | C742 V749 C775 E781 M782 | C742-Q779 PolarHBondContact O-NE2 3.39Å; V749-Q779 HydrophobicContact CG1-CG 3.92Å; C775-Q779 HydrophobicContact CB-CB 4.4Å; C775-Q779 PolarHBondContact O-N 3.44Å; Q779-E781 PolarHBondContact O-N 3.1Å; Q779-E781 VanDerWaalsContact O-N 3.15Å; Q779-M782 HydrophobicContact CB-CG 4.08Å; Q779-M782 PolarHBondContact O-N 3Å | ||
| 780 | P | 79.3 | Confident | 83.1 | Confident | 72 Ų | 72 | 54.8 Ų | 54.8 | 47% | 0.468 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.4 | -24.2 | -179.9 | 25.6 | -34.9 | 0 | 0 | 0 | 113.4 | Y776 M782 M783 S784 | Y776-P780 HydrophobicContact CE2-CB 4.43Å; P780-M782 VanDerWaalsContact C-N 3.28Å; P780-M782 PolarHBondContact O-N 3.43Å; P780-M783 PolarHBondContact O-N 2.92Å; P780-M783 VanDerWaalsContact O-N 3.13Å; P780-S784 PolarHBondContact O-N 2.96Å |
| 781 | E | 79.6 | Confident | 83.1 | Confident | 119 Ų | 119 | 49.8 Ų | 49.8 | 56% | 0.556 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -63.8 | -27.5 | 177.8 | -61.8 | -179.3 | -179 | 0 | 0 | 113.9 | Q779 S784 S785 | Q779-E781 PolarHBondContact O-N 3.1Å; Q779-E781 VanDerWaalsContact O-N 3.15Å; E781-S784 WeakPolarHBondContact CA-OG 3.48Å; E781-S784 PolarHBondContact O-OG 2.97Å; E781-S784 VanDerWaalsContact O-OG 3.09Å; E781-S785 WeakPolarHBondContact O-CB 3.29Å; E781-S785 PolarHBondContact O-N 2.91Å; E781-S785 VanDerWaalsContact O-N 3.08Å; E781-S785 PolarHBondContact O-OG 3.22Å |
| 782 | M | 81.9 | Confident | 83.1 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.4 | -43.2 | 172.2 | -70.8 | -55 | -62.4 | 0 | 0 | 110.8 | T738 A753 L756 M771 Q779 P780 F786 | T738-M782 HydrophobicContact CG2-CE 4.5Å; A753-M782 WeakPolarHBondContact CA-SD 3.32Å; A753-M782 HydrophobicContact CB-SD 3.73Å; A753-M782 PolarHBondContact N-SD 3.45Å; L756-M782 HydrophobicContact CB-CE 4.11Å; L756-M782 HydrophobicContact CD1-CE 3.49Å; L756-M782 VanDerWaalsContact CD1-CE 3.49Å; L756-M782 HydrophobicContact CG-CE 4.45Å; M771-M782 HydrophobicContact CE-CE 3.9Å; Q779-M782 HydrophobicContact CB-CG 4.08Å; Q779-M782 PolarHBondContact O-N 3Å; P780-M782 VanDerWaalsContact C-N 3.28Å; P780-M782 PolarHBondContact O-N 3.43Å; M782-F786 VanDerWaalsContact O-CB 3.28Å; M782-F786 WeakPolarHBondContact O-CB 3.37Å; M782-F786 PolarHBondContact O-N 2.87Å |
| 783 | M | 84.7 | Confident | 83 | Confident | 5 Ų | 5 | 53.8 Ų | 53.8 | 3% | 0.025 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -74.3 | -33.9 | -179.1 | -171.6 | 54.9 | -174.4 | 0 | 0 | 112.4 | C772 Y776 P780 F786 S787 T859 | C772-M783 HydrophobicContact CB-CB 4.29Å; C772-M783 HydrophobicContact CB-SD 3.72Å; Y776-M783 HydrophobicContact CD2-CB 3.8Å; Y776-M783 HydrophobicContact CD2-CG 4.06Å; Y776-M783 HydrophobicContact CE2-CB 4.14Å; Y776-M783 HydrophobicContact CE2-CG 4.19Å; P780-M783 PolarHBondContact O-N 2.92Å; P780-M783 VanDerWaalsContact O-N 3.13Å; M783-F786 HydrophobicContact CE-CD1 4.34Å; M783-F786 HydrophobicContact SD-CD1 3.94Å; M783-S787 VanDerWaalsContact O-CB 3.28Å; M783-S787 WeakPolarHBondContact O-CB 3.12Å; M783-S787 PolarHBondContact O-N 3.03Å; M783-S787 PolarHBondContact O-OG 3.4Å; M783-T859 HydrophobicContact CE-CG2 4Å; M783-T859 VanDerWaalsContact CE-OG1 3.29Å; M783-T859 WeakPolarHBondContact CE-OG1 3.44Å; M783-T859 HydrophobicContact CG-CG2 3.99Å |
| 784 | S | 83.8 | Confident | 82.9 | Confident | 68 Ų | 68 | 52.2 Ų | 52.2 | 48% | 0.476 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.8 | -45.2 | 172.4 | 65.1 | 0 | 0 | 0 | 0 | 111.5 | P780 E781 F786 S787 E788 | P780-S784 PolarHBondContact O-N 2.96Å; E781-S784 WeakPolarHBondContact CA-OG 3.48Å; E781-S784 PolarHBondContact O-OG 2.97Å; E781-S784 VanDerWaalsContact O-OG 3.09Å; S784-F786 PolarHBondContact O-N 2.98Å; S784-S787 PolarHBondContact O-N 2.88Å; S784-E788 WeakPolarHBondContact O-CB 3.2Å; S784-E788 PolarHBondContact O-N 3.27Å |
| 785 | S | 85.9 | Confident | 82.9 | Confident | 9 Ų | 9 | 52.4 Ų | 52.4 | 6% | 0.063 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.6 | -40 | 176.4 | -63.6 | 0 | 0 | 0 | 0 | 112.6 | R757 E781 A789 | R757-S785 PolarHBondContact NH1-OG 2.84Å; R757-S785 VanDerWaalsContact NH1-OG 3.1Å; E781-S785 WeakPolarHBondContact O-CB 3.29Å; E781-S785 PolarHBondContact O-N 2.91Å; E781-S785 VanDerWaalsContact O-N 3.08Å; E781-S785 PolarHBondContact O-OG 3.22Å; S785-A789 WeakPolarHBondContact O-CB 3.35Å; S785-A789 PolarHBondContact O-N 3.02Å |
| 786 | F | 87.8 | Confident | 82.9 | Confident | 3 Ų | 3 | 57.9 Ų | 57.9 | 1% | 0.013 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.2 | -42.9 | 172.3 | 178.9 | -100.2 | 0 | 0 | 0 | 112.4 | L756 F760 Q765 V768 R769 M782 M783 S784 A789 M790 P824 | L756-F786 HydrophobicContact CD1-CB 4.39Å; F760-F786 AromaticContact CE2-CD2 3.83Å; F760-F786 HydrophobicContact CE2-CD2 3.83Å; F760-F786 HydrophobicContact CE2-CE2 4.03Å; F760-F786 HydrophobicContact CZ-CE2 4.39Å; Q765-F786 VanDerWaalsContact O-CZ 3.29Å; Q765-F786 WeakPolarHBondContact O-CZ 3.49Å; V768-F786 HydrophobicContact CB-CD2 4.23Å; V768-F786 HydrophobicContact CB-CE2 4.04Å; V768-F786 HydrophobicContact CG1-CD2 3.5Å; V768-F786 HydrophobicContact CG1-CE2 3.84Å; V768-F786 HydrophobicContact CG1-CG 4.42Å; R769-F786 HydrophobicContact CB-CE1 3.96Å; R769-F786 HydrophobicContact CB-CZ 3.75Å; R769-F786 HydrophobicContact CG-CE1 4.18Å; R769-F786 HydrophobicContact CG-CZ 4.44Å; M782-F786 VanDerWaalsContact O-CB 3.28Å; M782-F786 WeakPolarHBondContact O-CB 3.37Å; M782-F786 PolarHBondContact O-N 2.87Å; M783-F786 HydrophobicContact CE-CD1 4.34Å; M783-F786 HydrophobicContact SD-CD1 3.94Å; S784-F786 PolarHBondContact O-N 2.98Å; F786-A789 PolarHBondContact O-N 3.43Å; F786-M790 HydrophobicContact CD1-CG 4.41Å; F786-M790 HydrophobicContact CE1-CG 3.95Å; F786-M790 HydrophobicContact CE2-CG 4.2Å; F786-M790 HydrophobicContact CZ-CG 3.83Å; F786-M790 HydrophobicContact CZ-SD 4.41Å; F786-M790 WeakPolarHBondContact O-CB 3.49Å; F786-M790 WeakPolarHBondContact O-CG 3.48Å; F786-M790 PolarHBondContact O-N 2.83Å; F786-P824 HydrophobicContact CZ-CB 4.01Å; F786-P824 HydrophobicContact CZ-CG 4.31Å |
| 787 | S | 86 | Confident | 83 | Confident | 22 Ų | 22 | 55.6 Ų | 55.6 | 15% | 0.154 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.6 | -43.1 | 179 | -60.7 | 0 | 0 | 0 | 0 | 111.8 | M783 S784 A789 M790 L791 | M783-S787 VanDerWaalsContact O-CB 3.28Å; M783-S787 WeakPolarHBondContact O-CB 3.12Å; M783-S787 PolarHBondContact O-N 3.03Å; M783-S787 PolarHBondContact O-OG 3.4Å; S784-S787 PolarHBondContact O-N 2.88Å; S787-A789 PolarHBondContact O-N 2.98Å; S787-M790 PolarHBondContact O-N 3.47Å; S787-L791 WeakPolarHBondContact O-CB 3.44Å; S787-L791 WeakPolarHBondContact O-CG 3.23Å; S787-L791 PolarHBondContact O-N 3.38Å |
| 788 | E | 86.9 | Confident | 83.2 | Confident | 88 Ų | 88 | 55 Ų | 55 | 41% | 0.411 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.1 | -43.3 | 174.2 | -168.2 | -169.2 | 150.7 | 0 | 0 | 111.4 | I714 R757 S784 L791 A792 | I714-E788 HydrophobicContact CD1-CB 3.7Å; I714-E788 VanDerWaalsContact CD1-CD 3.48Å; I714-E788 HydrophobicContact CD1-CG 3.63Å; R757-E788 IonicContact CZ-OE1 2.81Å; R757-E788 IonicContact CZ-OE2 2.83Å; R757-E788 VanDerWaalsContact CZ-OE2 3.31Å; R757-E788 IonicContact NH1-OE1 3.49Å; R757-E788 IonicContact NH1-OE2 3.76Å; R757-E788 PolarHBondContact NH1-OE2 2.67Å; R757-E788 VanDerWaalsContact NH2-CD 3.28Å; R757-E788 IonicContact NH2-OE1 3.92Å; R757-E788 PolarHBondContact NH2-OE1 3.31Å; R757-E788 IonicContact NH2-OE2 3.74Å; R757-E788 PolarHBondContact NH2-OE2 3.37Å; S784-E788 WeakPolarHBondContact O-CB 3.2Å; S784-E788 PolarHBondContact O-N 3.27Å; E788-L791 WeakPolarHBondContact O-CB 3.28Å; E788-L791 PolarHBondContact O-N 3.02Å; E788-A792 PolarHBondContact O-N 3.29Å |
| 789 | A | 85.5 | Confident | 83.4 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.2 | -45.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | I714 F760 S785 F786 S787 L791 A792 L793 | I714-A789 HydrophobicContact CD1-CB 4Å; I714-A789 HydrophobicContact CG2-CB 3.68Å; F760-A789 HydrophobicContact CB-CB 4.5Å; F760-A789 HydrophobicContact CD1-CB 3.75Å; F760-A789 HydrophobicContact CD2-CB 3.51Å; F760-A789 HydrophobicContact CE1-CB 3.72Å; F760-A789 HydrophobicContact CE2-CB 3.49Å; F760-A789 VanDerWaalsContact CE2-CB 3.49Å; F760-A789 HydrophobicContact CG-CB 3.64Å; F760-A789 HydrophobicContact CZ-CB 3.59Å; S785-A789 WeakPolarHBondContact O-CB 3.35Å; S785-A789 PolarHBondContact O-N 3.02Å; F786-A789 PolarHBondContact O-N 3.43Å; S787-A789 PolarHBondContact O-N 2.98Å; A789-L791 VanDerWaalsContact C-N 3.31Å; A789-L791 PolarHBondContact O-N 3.33Å; A789-A792 PolarHBondContact O-N 3.44Å; A789-L793 PolarHBondContact O-N 3.24Å |
| 790 | M | 87.6 | Confident | 83.8 | Confident | 3 Ų | 3 | 47.7 Ų | 47.7 | 2% | 0.015 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.4 | -31.8 | 175.4 | -76.1 | -60 | -35.3 | 0 | 0 | 112.5 | F760 Q765 F786 S787 L793 T794 P824 A828 | F760-M790 HydrophobicContact CE1-SD 4.24Å; F760-M790 HydrophobicContact CZ-CG 3.91Å; F760-M790 HydrophobicContact CZ-SD 3.68Å; Q765-M790 HydrophobicContact CB-SD 4.28Å; Q765-M790 HydrophobicContact CG-SD 4.03Å; F786-M790 HydrophobicContact CD1-CG 4.41Å; F786-M790 HydrophobicContact CE1-CG 3.95Å; F786-M790 HydrophobicContact CE2-CG 4.2Å; F786-M790 HydrophobicContact CZ-CG 3.83Å; F786-M790 HydrophobicContact CZ-SD 4.41Å; F786-M790 WeakPolarHBondContact O-CB 3.49Å; F786-M790 WeakPolarHBondContact O-CG 3.48Å; F786-M790 PolarHBondContact O-N 2.83Å; S787-M790 PolarHBondContact O-N 3.47Å; M790-L793 HydrophobicContact CE-CD2 3.89Å; M790-L793 HydrophobicContact SD-CD2 4.18Å; M790-T794 HydrophobicContact CE-CG2 4.13Å; M790-T794 WeakPolarHBondContact O-CB 3.43Å; M790-T794 WeakPolarHBondContact O-CG2 3.31Å; M790-T794 PolarHBondContact O-N 2.77Å; M790-T794 VanDerWaalsContact O-N 3.08Å; M790-T794 PolarHBondContact O-OG1 3.35Å; M790-P824 HydrophobicContact CE-CB 3.93Å; M790-P824 HydrophobicContact CG-CB 4.22Å; M790-P824 HydrophobicContact SD-CB 3.68Å; M790-A828 HydrophobicContact CB-CB 3.96Å; M790-A828 WeakPolarHBondContact O-CB 3.24Å |
| 791 | L | 87.6 | Confident | 83.9 | Confident | 37 Ų | 37 | 49.2 Ų | 49.2 | 19% | 0.194 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.9 | -45.3 | 171.3 | -77.8 | 168.3 | 0 | 0 | 0 | 111.3 | S787 E788 A789 T794 Q795 A828 H831 R832 | S787-L791 WeakPolarHBondContact O-CB 3.44Å; S787-L791 WeakPolarHBondContact O-CG 3.23Å; S787-L791 PolarHBondContact O-N 3.38Å; E788-L791 WeakPolarHBondContact O-CB 3.28Å; E788-L791 PolarHBondContact O-N 3.02Å; A789-L791 VanDerWaalsContact C-N 3.31Å; A789-L791 PolarHBondContact O-N 3.33Å; L791-T794 PolarHBondContact O-N 3.09Å; L791-T794 PolarHBondContact O-OG1 3.27Å; L791-Q795 PolarHBondContact O-N 3.3Å; L791-A828 HydrophobicContact CD2-CB 4.22Å; L791-A828 VanDerWaalsContact CD2-O 3.29Å; L791-A828 WeakPolarHBondContact CD2-O 3.41Å; L791-A828 HydrophobicContact CG-CB 4.43Å; L791-H831 HydrophobicContact CD2-CB 4.42Å; L791-R832 HydrophobicContact CD2-CG 3.72Å; L791-R832 PolarHBondContact O-NH2 2.82Å |
| 792 | A | 85.4 | Confident | 84 | Confident | 42 Ų | 42 | 46 Ų | 46 | 35% | 0.347 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.8 | -46.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V716 E788 A789 T794 Q795 | V716-A792 HydrophobicContact CG2-CB 3.75Å; E788-A792 PolarHBondContact O-N 3.29Å; A789-A792 PolarHBondContact O-N 3.44Å; A792-T794 VanDerWaalsContact C-N 3.34Å; A792-T794 PolarHBondContact O-N 3.46Å; A792-Q795 VanDerWaalsContact O-CB 3.3Å; A792-Q795 WeakPolarHBondContact O-CB 3.39Å; A792-Q795 PolarHBondContact O-N 3.07Å |
| 793 | L | 84.1 | Confident | 84.2 | Confident | 49 Ų | 49 | 46.1 Ų | 46.1 | 26% | 0.257 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -56.8 | -44.2 | 177.2 | -178.4 | 65.8 | 0 | 0 | 0 | 113.1 | V716 F760 Q765 A789 M790 Q795 | V716-L793 HydrophobicContact CG1-CB 3.67Å; V716-L793 HydrophobicContact CG1-CD1 3.61Å; V716-L793 HydrophobicContact CG1-CG 4.24Å; F760-L793 HydrophobicContact CE1-CD2 4.45Å; Q765-L793 VanDerWaalsContact NE2-CD2 3.3Å; A789-L793 PolarHBondContact O-N 3.24Å; M790-L793 HydrophobicContact CE-CD2 3.89Å; M790-L793 HydrophobicContact SD-CD2 4.18Å; L793-Q795 VanDerWaalsContact C-N 3.3Å; L793-Q795 PolarHBondContact O-N 2.86Å |
| 794 | T | 84.3 | Confident | 84.1 | Confident | 8 Ų | 8 | 52.4 Ų | 52.4 | 5% | 0.049 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -83.5 | -1.1 | -175.9 | 54.1 | 0 | 0 | 0 | 0 | 114.1 | M790 L791 A792 S796 S797 V800 H825 A828 R832 | M790-T794 HydrophobicContact CE-CG2 4.13Å; M790-T794 WeakPolarHBondContact O-CB 3.43Å; M790-T794 WeakPolarHBondContact O-CG2 3.31Å; M790-T794 PolarHBondContact O-N 2.77Å; M790-T794 VanDerWaalsContact O-N 3.08Å; M790-T794 PolarHBondContact O-OG1 3.35Å; L791-T794 PolarHBondContact O-N 3.09Å; L791-T794 PolarHBondContact O-OG1 3.27Å; A792-T794 VanDerWaalsContact C-N 3.34Å; A792-T794 PolarHBondContact O-N 3.46Å; T794-S796 VanDerWaalsContact C-N 3.27Å; T794-S796 PolarHBondContact O-N 3.27Å; T794-S797 VanDerWaalsContact O-CB 3.23Å; T794-S797 WeakPolarHBondContact O-CB 3.31Å; T794-S797 PolarHBondContact O-N 3.26Å; T794-S797 VanDerWaalsContact O-N 3.09Å; T794-V800 VanDerWaalsContact O-CG2 3.28Å; T794-V800 WeakPolarHBondContact O-CG2 3.42Å; T794-H825 HydrophobicContact CG2-CB 4.46Å; T794-A828 HydrophobicContact CG2-CB 4.07Å; T794-A828 VanDerWaalsContact OG1-CB 3.31Å; T794-A828 WeakPolarHBondContact OG1-CB 3.39Å; T794-R832 PolarHBondContact OG1-NH1 2.84Å; T794-R832 PolarHBondContact OG1-NH2 3.43Å |
| 795 | Q | 83.6 | Confident | 84 | Confident | 142 Ų | 142 | 57.8 Ų | 57.8 | 66% | 0.664 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -30.2 | -174.9 | -171.4 | 175.9 | 6.4 | 0 | 0 | 113.5 | L791 A792 L793 S797 | L791-Q795 PolarHBondContact O-N 3.3Å; A792-Q795 VanDerWaalsContact O-CB 3.3Å; A792-Q795 WeakPolarHBondContact O-CB 3.39Å; A792-Q795 PolarHBondContact O-N 3.07Å; L793-Q795 VanDerWaalsContact C-N 3.3Å; L793-Q795 PolarHBondContact O-N 2.86Å; Q795-S797 VanDerWaalsContact C-N 3.29Å; Q795-S797 PolarHBondContact O-N 2.6Å |
| 796 | S | 76.9 | Confident | 83.7 | Confident | 115 Ų | 115 | 59.4 Ų | 59.4 | 80% | 0.804 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -5.2 | 177.5 | 59.6 | 0 | 0 | 0 | 0 | 114.2 | T794 | T794-S796 VanDerWaalsContact C-N 3.27Å; T794-S796 PolarHBondContact O-N 3.27Å |
| 797 | S | 82.9 | Confident | 83.5 | Confident | 30 Ų | 30 | 61.6 Ų | 61.6 | 21% | 0.21 | 32% | 0.322 | C | S | . | . | trans | -71.7 | 131.1 | -179.3 | 176 | 0 | 0 | 0 | 0 | 111.8 | T794 Q795 V799 V800 | T794-S797 VanDerWaalsContact O-CB 3.23Å; T794-S797 WeakPolarHBondContact O-CB 3.31Å; T794-S797 PolarHBondContact O-N 3.26Å; T794-S797 VanDerWaalsContact O-N 3.09Å; Q795-S797 VanDerWaalsContact C-N 3.29Å; Q795-S797 PolarHBondContact O-N 2.6Å; S797-V799 PolarHBondContact O-N 3.27Å; S797-V799 PolarHBondContact OG-N 3.43Å; S797-V800 WeakPolarHBondContact O-CB 3.39Å; S797-V800 PolarHBondContact O-N 3.25Å | ||
| 798 | K | 80 | Confident | 83.5 | Confident | 172 Ų | 172 | 62 Ų | 62 | 75% | 0.748 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -55.5 | -20.3 | 175.6 | -64.8 | 177.1 | -178.5 | 172.2 | 0 | 113.7 | ||
| 799 | V | 82.8 | Confident | 83.5 | Confident | 7 Ų | 7 | 63 Ų | 63 | 4% | 0.042 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -75.1 | -24.8 | 176.1 | 174.4 | 0 | 0 | 0 | 0 | 112.3 | S797 E801 I802 I803 L815 L818 | S797-V799 PolarHBondContact O-N 3.27Å; S797-V799 PolarHBondContact OG-N 3.43Å; V799-E801 VanDerWaalsContact C-N 3.34Å; V799-E801 PolarHBondContact O-N 2.96Å; V799-I802 PolarHBondContact O-N 3.3Å; V799-I802 VanDerWaalsContact O-N 3.07Å; V799-I803 HydrophobicContact CG1-CD1 3.94Å; V799-I803 HydrophobicContact CG1-CG1 4.29Å; V799-I803 WeakPolarHBondContact O-CG1 3.29Å; V799-I803 PolarHBondContact O-N 3.22Å; V799-L815 HydrophobicContact CG1-CD2 3.79Å; V799-L815 HydrophobicContact CG1-CG 3.98Å; V799-L818 HydrophobicContact CB-CD1 3.98Å; V799-L818 HydrophobicContact CG1-CD1 4.46Å; V799-L818 HydrophobicContact CG2-CD1 3.48Å; V799-L818 VanDerWaalsContact CG2-CD1 3.48Å; V799-L818 HydrophobicContact CG2-CD2 4.24Å; V799-L818 HydrophobicContact CG2-CG 3.75Å |
| 800 | V | 84.1 | Confident | 83.4 | Confident | 9 Ų | 9 | 68.7 Ų | 68.7 | 6% | 0.055 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.5 | -40.1 | 172.4 | -178.9 | 0 | 0 | 0 | 0 | 110.9 | T794 S797 I802 I803 Q804 | T794-V800 VanDerWaalsContact O-CG2 3.28Å; T794-V800 WeakPolarHBondContact O-CG2 3.42Å; S797-V800 WeakPolarHBondContact O-CB 3.39Å; S797-V800 PolarHBondContact O-N 3.25Å; V800-I802 PolarHBondContact O-N 2.89Å; V800-I803 PolarHBondContact O-N 3.42Å; V800-Q804 HydrophobicContact CG1-CG 4.38Å; V800-Q804 WeakPolarHBondContact O-CB 3.44Å; V800-Q804 VanDerWaalsContact O-CG 3.3Å; V800-Q804 WeakPolarHBondContact O-CG 3.3Å; V800-Q804 PolarHBondContact O-N 2.89Å |
| 801 | E | 80.7 | Confident | 83.4 | Confident | 105 Ų | 105 | 68.5 Ų | 68.5 | 49% | 0.491 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.8 | -29.9 | 172.6 | -69.2 | -172.6 | -146.4 | 0 | 0 | 113.3 | V799 R805 | V799-E801 VanDerWaalsContact C-N 3.34Å; V799-E801 PolarHBondContact O-N 2.96Å; E801-R805 WeakPolarHBondContact O-CD 3.4Å; E801-R805 VanDerWaalsContact O-CG 3.24Å; E801-R805 WeakPolarHBondContact O-CG 3.48Å; E801-R805 PolarHBondContact O-NE 3.49Å; E801-R805 IonicContact OE2-NH2 3.42Å; E801-R805 PolarHBondContact OE2-NH2 3.37Å |
| 802 | I | 82 | Confident | 83.3 | Confident | 52 Ų | 52 | 67.2 Ų | 67.2 | 27% | 0.267 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -78.6 | -44.2 | -179.9 | -61 | 172.2 | 0 | 0 | 0 | 109.4 | V799 V800 Q804 R805 K810 | V799-I802 PolarHBondContact O-N 3.3Å; V799-I802 VanDerWaalsContact O-N 3.07Å; V800-I802 PolarHBondContact O-N 2.89Å; I802-Q804 VanDerWaalsContact C-N 3.33Å; I802-Q804 PolarHBondContact O-N 2.68Å; I802-R805 WeakPolarHBondContact O-CB 3.4Å; I802-R805 PolarHBondContact O-N 3.27Å; I802-R805 VanDerWaalsContact O-N 3.1Å; I802-K810 HydrophobicContact CG2-CB 4.25Å |
| 803 | I | 84.7 | Confident | 83.3 | Confident | 2 Ų | 2 | 71.6 Ų | 71.6 | 1% | 0.01 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -59.9 | -42.4 | 174.6 | -66.4 | 164.7 | 0 | 0 | 0 | 110.8 | V799 V800 R805 G806 S811 H829 R832 L833 K836 | V799-I803 HydrophobicContact CG1-CD1 3.94Å; V799-I803 HydrophobicContact CG1-CG1 4.29Å; V799-I803 WeakPolarHBondContact O-CG1 3.29Å; V799-I803 PolarHBondContact O-N 3.22Å; V800-I803 PolarHBondContact O-N 3.42Å; I803-R805 PolarHBondContact O-N 2.69Å; I803-G806 PolarHBondContact O-N 3.08Å; I803-S811 WeakPolarHBondContact CA-OG 3.45Å; I803-H829 HydrophobicContact CD1-CB 4.14Å; I803-R832 HydrophobicContact CG2-CB 4.04Å; I803-L833 HydrophobicContact CD1-CG 4.25Å; I803-L833 HydrophobicContact CG1-CD2 4.03Å; I803-L833 HydrophobicContact CG1-CG 4.2Å; I803-L833 HydrophobicContact CG2-CD2 4.12Å; I803-L833 HydrophobicContact CG2-CG 4.41Å; I803-K836 HydrophobicContact CG2-CG 4.36Å |
| 804 | Q | 84.3 | Confident | 83.2 | Confident | 138 Ų | 138 | 69.7 Ų | 69.7 | 65% | 0.645 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -21.6 | 176.9 | -76.2 | 177.8 | -1.5 | 0 | 0 | 114 | V800 I802 G806 | V800-Q804 HydrophobicContact CG1-CG 4.38Å; V800-Q804 WeakPolarHBondContact O-CB 3.44Å; V800-Q804 VanDerWaalsContact O-CG 3.3Å; V800-Q804 WeakPolarHBondContact O-CG 3.3Å; V800-Q804 PolarHBondContact O-N 2.89Å; I802-Q804 VanDerWaalsContact C-N 3.33Å; I802-Q804 PolarHBondContact O-N 2.68Å; Q804-G806 VanDerWaalsContact C-N 3.27Å; Q804-G806 PolarHBondContact O-N 3.35Å |
| 805 | R | 81 | Confident | 83.2 | Confident | 180 Ų | 180 | 69.3 Ų | 69.3 | 68% | 0.679 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -3.6 | 176 | -65.3 | 163.7 | -155.3 | -149.8 | 5.2 | 113.4 | E801 I802 I803 D807 | E801-R805 WeakPolarHBondContact O-CD 3.4Å; E801-R805 VanDerWaalsContact O-CG 3.24Å; E801-R805 WeakPolarHBondContact O-CG 3.48Å; E801-R805 PolarHBondContact O-NE 3.49Å; E801-R805 IonicContact OE2-NH2 3.42Å; E801-R805 PolarHBondContact OE2-NH2 3.37Å; I802-R805 WeakPolarHBondContact O-CB 3.4Å; I802-R805 PolarHBondContact O-N 3.27Å; I802-R805 VanDerWaalsContact O-N 3.1Å; I803-R805 PolarHBondContact O-N 2.69Å; R805-D807 PolarHBondContact O-N 3.46Å |
| 806 | G | 78.8 | Confident | 83.2 | Confident | 44 Ų | 44 | 68.1 Ų | 68.1 | 45% | 0.454 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.7 | 24.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | I803 Q804 H837 | I803-G806 PolarHBondContact O-N 3.08Å; Q804-G806 VanDerWaalsContact C-N 3.27Å; Q804-G806 PolarHBondContact O-N 3.35Å; G806-H837 PolarHBondContact O-CE1 2.93Å |
| 807 | D | 85.5 | Confident | 83.3 | Confident | 49 Ų | 49 | 69.7 Ų | 69.7 | 26% | 0.262 | 33% | 0.327 | S | S | . | . | trans | -108 | 103.8 | 172.4 | -174.8 | -41 | 0 | 0 | 0 | 110 | R805 L809 K810 S811 | R805-D807 PolarHBondContact O-N 3.46Å; D807-L809 PolarHBondContact O-N 2.84Å; D807-L809 PolarHBondContact OD1-N 3.49Å; D807-K810 HydrophobicContact CB-CB 4.04Å; D807-K810 HydrophobicContact CB-CD 4.21Å; D807-K810 HydrophobicContact CB-CG 4.23Å; D807-K810 PolarHBondContact O-N 3.2Å; D807-K810 PolarHBondContact OD1-N 2.94Å; D807-K810 WeakPolarHBondContact OD2-CD 3.33Å; D807-K810 WeakPolarHBondContact OD2-CE 3.4Å; D807-K810 WeakPolarHBondContact OD2-CG 3.37Å; D807-K810 IonicContact OD2-NZ 3.67Å; D807-K810 PolarHBondContact OD2-NZ 3.39Å; D807-S811 VanDerWaalsContact O-CB 3.32Å; D807-S811 WeakPolarHBondContact O-CB 3.44Å; D807-S811 PolarHBondContact O-N 3.28Å; D807-S811 PolarHBondContact O-OG 3.26Å | ||
| 808 | L | 85.8 | Confident | 82.8 | Confident | 30 Ų | 30 | 71.4 Ų | 71.4 | 16% | 0.157 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.2 | -43.1 | -179.1 | -179.3 | 60.8 | 0 | 0 | 0 | 111.9 | K810 S811 L812 L833 H837 A840 A841 | L808-K810 PolarHBondContact O-N 3.39Å; L808-S811 PolarHBondContact O-N 2.94Å; L808-L812 HydrophobicContact CD1-CD1 3.82Å; L808-L812 HydrophobicContact CD1-CD2 4.42Å; L808-L812 HydrophobicContact CD1-CG 3.92Å; L808-L812 HydrophobicContact CG-CD1 3.81Å; L808-L812 HydrophobicContact CG-CG 4.32Å; L808-L812 WeakPolarHBondContact O-CB 3.5Å; L808-L812 VanDerWaalsContact O-CG 3.26Å; L808-L812 WeakPolarHBondContact O-CG 3.28Å; L808-L812 PolarHBondContact O-N 2.93Å; L808-L833 HydrophobicContact CD1-CD2 3.98Å; L808-H837 HydrophobicContact CD1-CB 4.48Å; L808-A840 HydrophobicContact CD2-CB 4.13Å; L808-A841 HydrophobicContact CD1-CB 4.2Å |
| 809 | L | 85.1 | Confident | 81.9 | Confident | 109 Ų | 109 | 68.8 Ų | 68.8 | 57% | 0.571 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -72.5 | -28.2 | -177.2 | -67.3 | 177.9 | 0 | 0 | 0 | 113.1 | D807 R813 | D807-L809 PolarHBondContact O-N 2.84Å; D807-L809 PolarHBondContact OD1-N 3.49Å; L809-R813 PolarHBondContact O-NE 3.11Å; L809-R813 PolarHBondContact O-NH2 3.47Å |
| 810 | K | 84.7 | Confident | 81 | Confident | 119 Ų | 119 | 73.7 Ų | 73.7 | 52% | 0.517 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -76.2 | -39.3 | 169.9 | -70.2 | -176 | -175.6 | 88.5 | 0 | 111.2 | I802 D807 L808 R813 S814 | I802-K810 HydrophobicContact CG2-CB 4.25Å; D807-K810 HydrophobicContact CB-CB 4.04Å; D807-K810 HydrophobicContact CB-CD 4.21Å; D807-K810 HydrophobicContact CB-CG 4.23Å; D807-K810 PolarHBondContact O-N 3.2Å; D807-K810 PolarHBondContact OD1-N 2.94Å; D807-K810 WeakPolarHBondContact OD2-CD 3.33Å; D807-K810 WeakPolarHBondContact OD2-CE 3.4Å; D807-K810 WeakPolarHBondContact OD2-CG 3.37Å; D807-K810 IonicContact OD2-NZ 3.67Å; D807-K810 PolarHBondContact OD2-NZ 3.39Å; L808-K810 PolarHBondContact O-N 3.39Å; K810-R813 PolarHBondContact O-N 3.46Å; K810-S814 PolarHBondContact O-N 3.38Å; K810-S814 PolarHBondContact O-OG 3.13Å |
| 811 | S | 86.4 | Confident | 80.3 | Confident | 0 Ų | 0 | 77.1 Ų | 77.1 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -68.8 | -40.6 | -180 | -55.7 | 0 | 0 | 0 | 0 | 112.9 | I803 D807 L808 R813 S814 L815 | I803-S811 WeakPolarHBondContact CA-OG 3.45Å; D807-S811 VanDerWaalsContact O-CB 3.32Å; D807-S811 WeakPolarHBondContact O-CB 3.44Å; D807-S811 PolarHBondContact O-N 3.28Å; D807-S811 PolarHBondContact O-OG 3.26Å; L808-S811 PolarHBondContact O-N 2.94Å; S811-R813 VanDerWaalsContact C-N 3.29Å; S811-R813 PolarHBondContact O-N 3.32Å; S811-S814 PolarHBondContact O-N 3.03Å; S811-S814 PolarHBondContact O-OG 2.93Å; S811-S814 VanDerWaalsContact O-OG 3.1Å; S811-L815 WeakPolarHBondContact O-CG 3.29Å; S811-L815 PolarHBondContact O-N 3.47Å |
| 812 | L | 85.7 | Confident | 80.2 | Confident | 10 Ų | 10 | 79.9 Ų | 79.9 | 5% | 0.052 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -66.6 | -30.6 | 173.4 | -68.5 | 170.4 | 0 | 0 | 0 | 112.1 | L808 R816 L833 F848 | L808-L812 HydrophobicContact CD1-CD1 3.82Å; L808-L812 HydrophobicContact CD1-CD2 4.42Å; L808-L812 HydrophobicContact CD1-CG 3.92Å; L808-L812 HydrophobicContact CG-CD1 3.81Å; L808-L812 HydrophobicContact CG-CG 4.32Å; L808-L812 WeakPolarHBondContact O-CB 3.5Å; L808-L812 VanDerWaalsContact O-CG 3.26Å; L808-L812 WeakPolarHBondContact O-CG 3.28Å; L808-L812 PolarHBondContact O-N 2.93Å; L812-R816 VanDerWaalsContact O-CG 3.32Å; L812-R816 WeakPolarHBondContact O-CG 3.3Å; L812-R816 PolarHBondContact O-N 2.83Å; L812-L833 HydrophobicContact CD2-CD1 4.15Å; L812-F848 HydrophobicContact CD2-CE2 4.11Å |
| 813 | R | 85.1 | Confident | 80.3 | Confident | 134 Ų | 134 | 77.7 Ų | 77.7 | 51% | 0.506 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -68.8 | -49.3 | 172.7 | -88 | 178.1 | -78.1 | -170 | -7.8 | 111.9 | L809 K810 S811 L815 R816 E817 | L809-R813 PolarHBondContact O-NE 3.11Å; L809-R813 PolarHBondContact O-NH2 3.47Å; K810-R813 PolarHBondContact O-N 3.46Å; S811-R813 VanDerWaalsContact C-N 3.29Å; S811-R813 PolarHBondContact O-N 3.32Å; R813-L815 VanDerWaalsContact C-N 3.27Å; R813-L815 PolarHBondContact O-N 3.01Å; R813-R816 WeakPolarHBondContact O-CA 3.29Å; R813-R816 WeakPolarHBondContact O-CB 3.35Å; R813-R816 PolarHBondContact O-N 2.83Å; R813-E817 WeakPolarHBondContact O-CG 3.49Å; R813-E817 PolarHBondContact O-N 3.13Å |
| 814 | S | 83.6 | Confident | 80.3 | Confident | 9 Ų | 9 | 77.8 Ų | 77.8 | 6% | 0.063 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65.3 | -29 | 178.9 | 60.8 | 0 | 0 | 0 | 0 | 113.1 | K810 S811 E817 L818 | K810-S814 PolarHBondContact O-N 3.38Å; K810-S814 PolarHBondContact O-OG 3.13Å; S811-S814 PolarHBondContact O-N 3.03Å; S811-S814 PolarHBondContact O-OG 2.93Å; S811-S814 VanDerWaalsContact O-OG 3.1Å; S814-E817 PolarHBondContact O-N 3.49Å; S814-L818 PolarHBondContact O-N 3.19Å; S814-L818 VanDerWaalsContact O-N 3.08Å |
| 815 | L | 84.5 | Confident | 80.3 | Confident | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -70 | -29.8 | 169.2 | -72.3 | 171.2 | 0 | 0 | 0 | 114.1 | V799 S811 R813 E817 L818 W821 L826 H829 L833 F848 | V799-L815 HydrophobicContact CG1-CD2 3.79Å; V799-L815 HydrophobicContact CG1-CG 3.98Å; S811-L815 WeakPolarHBondContact O-CG 3.29Å; S811-L815 PolarHBondContact O-N 3.47Å; R813-L815 VanDerWaalsContact C-N 3.27Å; R813-L815 PolarHBondContact O-N 3.01Å; L815-E817 VanDerWaalsContact C-N 3.34Å; L815-L818 HydrophobicContact CD2-CD1 4.39Å; L815-W821 PolarHBondContact O-NE1 2.95Å; L815-L826 HydrophobicContact CD2-CD2 4.27Å; L815-H829 HydrophobicContact CD1-CB 4.28Å; L815-H829 HydrophobicContact CD2-CB 3.53Å; L815-L833 HydrophobicContact CD1-CD1 3.46Å; L815-L833 VanDerWaalsContact CD1-CD1 3.46Å; L815-F848 HydrophobicContact CB-CZ 4.05Å |
| 816 | R | 82.1 | Confident | 80.7 | Confident | 116 Ų | 116 | 65.9 Ų | 65.9 | 44% | 0.438 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -73.1 | -28.8 | 170.6 | -70.1 | 171.8 | -179 | -161.8 | 6.3 | 112.1 | L812 R813 W821 F848 | L812-R816 VanDerWaalsContact O-CG 3.32Å; L812-R816 WeakPolarHBondContact O-CG 3.3Å; L812-R816 PolarHBondContact O-N 2.83Å; R813-R816 WeakPolarHBondContact O-CA 3.29Å; R813-R816 WeakPolarHBondContact O-CB 3.35Å; R813-R816 PolarHBondContact O-N 2.83Å; R816-W821 HydrophobicContact CG-CZ2 4.48Å; R816-F848 HydrophobicContact CG-CE1 4.26Å; R816-F848 HydrophobicContact CG-CZ 4.48Å |
| 817 | E | 80.3 | Confident | 81.1 | Confident | 148 Ų | 148 | 64.3 Ų | 64.3 | 69% | 0.692 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -78.8 | -22.8 | 177.1 | -69.3 | 164.9 | -163.8 | 0 | 0 | 113.2 | R813 S814 L815 Q819 | R813-E817 WeakPolarHBondContact O-CG 3.49Å; R813-E817 PolarHBondContact O-N 3.13Å; S814-E817 PolarHBondContact O-N 3.49Å; L815-E817 VanDerWaalsContact C-N 3.34Å; E817-Q819 VanDerWaalsContact C-N 3.31Å; E817-Q819 PolarHBondContact O-N 3.36Å |
| 818 | L | 71.4 | Confident | 81.2 | Confident | 67 Ų | 67 | 62.2 Ų | 62.2 | 35% | 0.351 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -73.1 | 76.4 | 171.4 | -76.5 | -175.4 | 0 | 0 | 0 | 112.5 | V799 S814 L815 | V799-L818 HydrophobicContact CB-CD1 3.98Å; V799-L818 HydrophobicContact CG1-CD1 4.46Å; V799-L818 HydrophobicContact CG2-CD1 3.48Å; V799-L818 VanDerWaalsContact CG2-CD1 3.48Å; V799-L818 HydrophobicContact CG2-CD2 4.24Å; V799-L818 HydrophobicContact CG2-CG 3.75Å; S814-L818 PolarHBondContact O-N 3.19Å; S814-L818 VanDerWaalsContact O-N 3.08Å; L815-L818 HydrophobicContact CD2-CD1 4.39Å |
| 819 | Q | 62.6 | Low | 81.4 | Confident | 116 Ų | 116 | 61 Ų | 61 | 54% | 0.542 | 28% | 0.28 | S | S | . | . | trans | -96.6 | 143.2 | 164.8 | -68.3 | -69.2 | -7 | 0 | 0 | 110.8 | E817 W821 | E817-Q819 VanDerWaalsContact C-N 3.31Å; E817-Q819 PolarHBondContact O-N 3.36Å; Q819-W821 VanDerWaalsContact OE1-N 3.09Å | ||
| 820 | P | 62.9 | Low | 81.6 | Confident | 111 Ų | 111 | 55.9 Ų | 55.9 | 72% | 0.721 | 25% | 0.253 | S | S | * | . | S | Bend | cis | -80 | 138.1 | 2.5 | 32.2 | -35 | 0 | 0 | 0 | 113.6 | R822 | P820-R822 PolarHBondContact O-N 2.89Š|
| 821 | W | 68.6 | Low | 81.8 | Confident | 80 Ų | 80 | 52.8 Ų | 52.8 | 30% | 0.303 | 24% | 0.241 | S | C | . | . | trans | -67.3 | 110.7 | 172.9 | -71.2 | -31 | 0 | 0 | 0 | 112.6 | L815 R816 Q819 L826 F848 I851 | L815-W821 PolarHBondContact O-NE1 2.95Å; R816-W821 HydrophobicContact CG-CZ2 4.48Å; Q819-W821 VanDerWaalsContact OE1-N 3.09Å; W821-L826 HydrophobicContact CB-CD1 3.96Å; W821-L826 HydrophobicContact CG-CD1 3.97Å; W821-F848 HydrophobicContact CZ2-CD1 4.21Å; W821-F848 HydrophobicContact CZ2-CE1 4.15Å; W821-I851 HydrophobicContact CB-CD1 4.17Å; W821-I851 HydrophobicContact CD2-CD1 4.19Å; W821-I851 HydrophobicContact CE3-CD1 3.37Å; W821-I851 HydrophobicContact CZ3-CD1 4.05Å | ||
| 822 | R | 80.1 | Confident | 81.9 | Confident | 163 Ų | 163 | 54 Ų | 54 | 62% | 0.615 | 25% | 0.245 | S | C | * | . | trans | -102.5 | 127.7 | 162.9 | -69.6 | -174.7 | 175.2 | -169.4 | -1.8 | 109.5 | P820 H825 L826 | P820-R822 PolarHBondContact O-N 2.89Å; R822-H825 HydrophobicContact CB-CB 4.47Å; R822-H825 PolarHBondContact O-N 2.98Å; R822-L826 PolarHBondContact O-N 2.88Å | ||
| 823 | A | 82.7 | Confident | 82 | Confident | 7 Ų | 7 | 53.6 Ų | 53.6 | 6% | 0.058 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -55.9 | -45.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | H825 L826 L827 I851 I852 | A823-H825 VanDerWaalsContact C-N 3.31Å; A823-H825 PolarHBondContact O-N 3.45Å; A823-L826 PolarHBondContact O-N 2.89Å; A823-L827 WeakPolarHBondContact O-CG 3.4Å; A823-L827 PolarHBondContact O-N 3.04Å; A823-I851 HydrophobicContact CB-CG2 4.25Å; A823-I852 HydrophobicContact CB-CD1 3.86Å |
| 824 | P | 84.9 | Confident | 82.3 | Confident | 3 Ų | 3 | 48.9 Ų | 48.9 | 2% | 0.019 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.1 | -40.3 | 177.4 | -26.7 | 35 | 0 | 0 | 0 | 113.9 | Q765 R769 F786 M790 L827 A828 | Q765-P824 HydrophobicContact CB-CB 4.14Å; Q765-P824 HydrophobicContact CB-CG 3.97Å; Q765-P824 WeakPolarHBondContact O-CG 3.47Å; R769-P824 HydrophobicContact CB-CG 4.37Å; F786-P824 HydrophobicContact CZ-CB 4.01Å; F786-P824 HydrophobicContact CZ-CG 4.31Å; M790-P824 HydrophobicContact CE-CB 3.93Å; M790-P824 HydrophobicContact CG-CB 4.22Å; M790-P824 HydrophobicContact SD-CB 3.68Å; P824-L827 PolarHBondContact O-N 3.28Å; P824-A828 PolarHBondContact O-N 2.7Å |
| 825 | H | 85.4 | Confident | 82.5 | Confident | 63 Ų | 63 | 53.9 Ų | 53.9 | 29% | 0.292 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -68.9 | -38.3 | -179.2 | -73.1 | 56 | 0 | 0 | 0 | 111.8 | Q765 T794 R822 A823 H829 | Q765-H825 PolarHBondContact OE1-CE1 3.37Å; Q765-H825 PolarHBondContact OE1-ND1 3.41Å; T794-H825 HydrophobicContact CG2-CB 4.46Å; R822-H825 HydrophobicContact CB-CB 4.47Å; R822-H825 PolarHBondContact O-N 2.98Å; A823-H825 VanDerWaalsContact C-N 3.31Å; A823-H825 PolarHBondContact O-N 3.45Å; H825-H829 PolarHBondContact O-CD2 3.27Å; H825-H829 VanDerWaalsContact O-CD2 3.29Å; H825-H829 PolarHBondContact O-N 2.82Å |
| 826 | L | 88 | Confident | 82.7 | Confident | 6 Ų | 6 | 59.6 Ų | 59.6 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.2 | -40.1 | 174.9 | -72.4 | 176.4 | 0 | 0 | 0 | 111.4 | L815 W821 R822 A823 A828 H829 F830 I851 I852 | L815-L826 HydrophobicContact CD2-CD2 4.27Å; W821-L826 HydrophobicContact CB-CD1 3.96Å; W821-L826 HydrophobicContact CG-CD1 3.97Å; R822-L826 PolarHBondContact O-N 2.88Å; A823-L826 PolarHBondContact O-N 2.89Å; L826-A828 PolarHBondContact O-N 3.35Å; L826-H829 CarbonylContact O-C 3.59Å; L826-H829 WeakPolarHBondContact O-CA 3.41Å; L826-H829 WeakPolarHBondContact O-CB 3.42Å; L826-H829 PolarHBondContact O-N 3.37Å; L826-F830 HydrophobicContact CB-CE1 4.21Å; L826-F830 HydrophobicContact CB-CZ 4.47Å; L826-F830 WeakPolarHBondContact O-CD1 3.27Å; L826-F830 WeakPolarHBondContact O-CG 3.18Å; L826-F830 PolarHBondContact O-N 3.01Å; L826-I851 HydrophobicContact CD1-CG2 4.26Å; L826-I852 HydrophobicContact CB-CD1 4.09Å; L826-I852 HydrophobicContact CD1-CD1 4.45Å; L826-I852 HydrophobicContact CD1-CG1 4.48Å |
| 827 | L | 88.3 | Confident | 82.8 | Confident | 11 Ų | 11 | 56.4 Ų | 56.4 | 6% | 0.058 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 179.9 | -69.7 | 167.5 | 0 | 0 | 0 | 113.2 | R769 A823 P824 H829 F830 H831 I852 D856 V860 | R769-L827 HydrophobicContact CG-CD1 4.4Å; A823-L827 WeakPolarHBondContact O-CG 3.4Å; A823-L827 PolarHBondContact O-N 3.04Å; P824-L827 PolarHBondContact O-N 3.28Å; L827-H829 PolarHBondContact O-N 2.72Å; L827-F830 HydrophobicContact CD2-CD2 4.47Å; L827-F830 PolarHBondContact O-N 2.96Å; L827-H831 PolarHBondContact O-N 3.23Å; L827-I852 HydrophobicContact CD2-CD1 4.1Å; L827-I852 HydrophobicContact CD2-CG2 4.02Å; L827-I852 HydrophobicContact CG-CD1 3.98Å; L827-D856 HydrophobicContact CD1-CB 4.23Å; L827-D856 WeakPolarHBondContact CD1-OD1 3.4Å; L827-D856 HydrophobicContact CD2-CB 3.81Å; L827-V860 HydrophobicContact CD2-CG2 4.22Å |
| 828 | A | 88.1 | Confident | 83.2 | Confident | 4 Ų | 4 | 50.4 Ų | 50.4 | 3% | 0.033 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.5 | -26.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | M790 L791 T794 P824 L826 R832 | M790-A828 HydrophobicContact CB-CB 3.96Å; M790-A828 WeakPolarHBondContact O-CB 3.24Å; L791-A828 HydrophobicContact CD2-CB 4.22Å; L791-A828 VanDerWaalsContact CD2-O 3.29Å; L791-A828 WeakPolarHBondContact CD2-O 3.41Å; L791-A828 HydrophobicContact CG-CB 4.43Å; T794-A828 HydrophobicContact CG2-CB 4.07Å; T794-A828 VanDerWaalsContact OG1-CB 3.31Å; T794-A828 WeakPolarHBondContact OG1-CB 3.39Å; P824-A828 PolarHBondContact O-N 2.7Å; L826-A828 PolarHBondContact O-N 3.35Å; A828-R832 WeakPolarHBondContact O-CG 3.4Å; A828-R832 PolarHBondContact O-NH1 3.22Å |
| 829 | H | 88.6 | Confident | 84 | Confident | 6 Ų | 6 | 49.5 Ų | 49.5 | 3% | 0.028 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -81.7 | -30.3 | 171.2 | -67.1 | -41.4 | 0 | 0 | 0 | 112.8 | I803 L815 H825 L826 L827 R832 L833 | I803-H829 HydrophobicContact CD1-CB 4.14Å; L815-H829 HydrophobicContact CD1-CB 4.28Å; L815-H829 HydrophobicContact CD2-CB 3.53Å; H825-H829 PolarHBondContact O-CD2 3.27Å; H825-H829 VanDerWaalsContact O-CD2 3.29Å; H825-H829 PolarHBondContact O-N 2.82Å; L826-H829 CarbonylContact O-C 3.59Å; L826-H829 WeakPolarHBondContact O-CA 3.41Å; L826-H829 WeakPolarHBondContact O-CB 3.42Å; L826-H829 PolarHBondContact O-N 3.37Å; L827-H829 PolarHBondContact O-N 2.72Å; H829-R832 PolarHBondContact ND1-NH1 2.9Å; H829-L833 WeakPolarHBondContact O-CG 3.45Å; H829-L833 PolarHBondContact O-N 2.82Å |
| 830 | F | 89.6 | Confident | 85.1 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 0% | 0.004 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68.7 | -40.9 | 174.8 | -73.6 | 18.6 | 0 | 0 | 0 | 111.4 | L826 L827 R832 L833 Y834 F845 F848 I852 V860 | L826-F830 HydrophobicContact CB-CE1 4.21Å; L826-F830 HydrophobicContact CB-CZ 4.47Å; L826-F830 WeakPolarHBondContact O-CD1 3.27Å; L826-F830 WeakPolarHBondContact O-CG 3.18Å; L826-F830 PolarHBondContact O-N 3.01Å; L827-F830 HydrophobicContact CD2-CD2 4.47Å; L827-F830 PolarHBondContact O-N 2.96Å; F830-R832 PolarHBondContact O-N 3.26Å; F830-L833 CarbonylContact O-C 3.58Å; F830-L833 PolarHBondContact O-N 2.86Å; F830-L833 VanDerWaalsContact O-N 3.11Å; F830-Y834 WeakPolarHBondContact O-CB 3.44Å; F830-Y834 PolarHBondContact O-N 3.23Å; F830-F845 HydrophobicContact CB-CE1 3.9Å; F830-F845 HydrophobicContact CB-CE2 3.88Å; F830-F845 HydrophobicContact CB-CZ 3.55Å; F830-F845 HydrophobicContact CD1-CD1 4.1Å; F830-F845 AromaticContact CD1-CE1 3.91Å; F830-F845 HydrophobicContact CD1-CE1 3.91Å; F830-F845 HydrophobicContact CD1-CZ 4.46Å; F830-F845 HydrophobicContact CD2-CB 4.18Å; F830-F845 AromaticContact CD2-CD1 3.65Å; F830-F845 HydrophobicContact CD2-CD1 3.65Å; F830-F845 AromaticContact CD2-CD2 3.7Å; F830-F845 HydrophobicContact CD2-CD2 3.7Å; F830-F845 AromaticContact CD2-CE1 3.9Å; F830-F845 HydrophobicContact CD2-CE1 3.9Å; F830-F845 AromaticContact CD2-CE2 3.94Å; F830-F845 HydrophobicContact CD2-CE2 3.94Å; F830-F845 AromaticContact CD2-CG 3.58Å; F830-F845 HydrophobicContact CD2-CG 3.58Å; F830-F845 HydrophobicContact CD2-CZ 4.05Å; F830-F845 HydrophobicContact CE1-CD1 4.27Å; F830-F845 HydrophobicContact CE1-CE1 4.48Å; F830-F845 HydrophobicContact CE2-CB 3.86Å; F830-F845 AromaticContact CE2-CD1 3.81Å; F830-F845 HydrophobicContact CE2-CD1 3.81Å; F830-F845 HydrophobicContact CE2-CD2 4.26Å; F830-F845 HydrophobicContact CE2-CE1 4.45Å; F830-F845 AromaticContact CE2-CG 3.72Å; F830-F845 HydrophobicContact CE2-CG 3.72Å; F830-F845 AromaticContact CG-CD1 3.83Å; F830-F845 HydrophobicContact CG-CD1 3.83Å; F830-F845 HydrophobicContact CG-CD2 4.29Å; F830-F845 AromaticContact CG-CE1 3.62Å; F830-F845 HydrophobicContact CG-CE1 3.62Å; F830-F845 HydrophobicContact CG-CE2 4.1Å; F830-F845 HydrophobicContact CG-CG 4.19Å; F830-F845 AromaticContact CG-CZ 3.78Å; F830-F845 HydrophobicContact CG-CZ 3.78Å; F830-F845 HydrophobicContact CZ-CD1 4.15Å; F830-F845 HydrophobicContact CZ-CG 4.47Å; F830-F848 AromaticContact CE1-CD2 3.83Å; F830-F848 HydrophobicContact CE1-CD2 3.83Å; F830-F848 AromaticContact CE1-CE2 3.76Å; F830-F848 HydrophobicContact CE1-CE2 3.76Å; F830-F848 HydrophobicContact CE1-CG 4.38Å; F830-F848 HydrophobicContact CE1-CZ 4.28Å; F830-F848 HydrophobicContact CE2-CD2 4.17Å; F830-F848 HydrophobicContact CZ-CB 3.93Å; F830-F848 HydrophobicContact CZ-CD1 4.45Å; F830-F848 AromaticContact CZ-CD2 3.26Å; F830-F848 HydrophobicContact CZ-CD2 3.26Å; F830-F848 AromaticContact CZ-CE2 3.71Å; F830-F848 HydrophobicContact CZ-CE2 3.71Å; F830-F848 AromaticContact CZ-CG 3.67Å; F830-F848 HydrophobicContact CZ-CG 3.67Å; F830-F848 HydrophobicContact CZ-CZ 4.47Å; F830-I852 HydrophobicContact CD2-CG2 4.42Å; F830-I852 HydrophobicContact CE2-CB 4.14Å; F830-I852 HydrophobicContact CE2-CG1 3.73Å; F830-I852 HydrophobicContact CE2-CG2 3.94Å; F830-I852 HydrophobicContact CZ-CG1 3.95Å; F830-V860 HydrophobicContact CB-CG1 4.48Å |
| 831 | H | 89.1 | Confident | 86.3 | Confident | 53 Ų | 53 | 41 Ų | 41 | 25% | 0.245 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.6 | -48.1 | 175.5 | -155.4 | -77.1 | 0 | 0 | 0 | 111.4 | L791 L827 L833 Y834 E835 V860 | L791-H831 HydrophobicContact CD2-CB 4.42Å; L827-H831 PolarHBondContact O-N 3.23Å; H831-L833 VanDerWaalsContact C-N 3.34Å; H831-L833 PolarHBondContact O-N 3.26Å; H831-Y834 WeakPolarHBondContact O-CB 3.49Å; H831-Y834 PolarHBondContact O-N 2.99Å; H831-E835 IonicContact CE1-OE1 3.51Å; H831-E835 PolarHBondContact CE1-OE1 3.48Å; H831-E835 IonicContact CG-OE1 3.08Å; H831-E835 IonicContact ND1-OE1 3.14Å; H831-E835 PolarHBondContact ND1-OE1 3.28Å; H831-E835 WeakPolarHBondContact O-CG 3.4Å; H831-E835 PolarHBondContact O-N 2.85Å; H831-V860 HydrophobicContact CB-CG1 4.32Å |
| 832 | R | 88.6 | Confident | 87.3 | Confident | 27 Ų | 27 | 37.2 Ų | 37.2 | 10% | 0.102 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.8 | -32 | 174.3 | -64.1 | -176.6 | -169.7 | 99.6 | -16.6 | 114.1 | L791 T794 I803 A828 H829 F830 K836 | L791-R832 HydrophobicContact CD2-CG 3.72Å; L791-R832 PolarHBondContact O-NH2 2.82Å; T794-R832 PolarHBondContact OG1-NH1 2.84Å; T794-R832 PolarHBondContact OG1-NH2 3.43Å; I803-R832 HydrophobicContact CG2-CB 4.04Å; A828-R832 WeakPolarHBondContact O-CG 3.4Å; A828-R832 PolarHBondContact O-NH1 3.22Å; H829-R832 PolarHBondContact ND1-NH1 2.9Å; F830-R832 PolarHBondContact O-N 3.26Å; R832-K836 VanDerWaalsContact O-CG 3.22Å; R832-K836 WeakPolarHBondContact O-CG 3.41Å; R832-K836 PolarHBondContact O-N 2.94Å |
| 833 | L | 88.5 | Confident | 87.7 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -71.2 | -37.8 | 173.6 | -83.7 | 175.8 | 0 | 0 | 0 | 111.6 | I803 L808 L812 L815 H829 F830 H831 K836 H837 A841 F845 | I803-L833 HydrophobicContact CD1-CG 4.25Å; I803-L833 HydrophobicContact CG1-CD2 4.03Å; I803-L833 HydrophobicContact CG1-CG 4.2Å; I803-L833 HydrophobicContact CG2-CD2 4.12Å; I803-L833 HydrophobicContact CG2-CG 4.41Å; L808-L833 HydrophobicContact CD1-CD2 3.98Å; L812-L833 HydrophobicContact CD2-CD1 4.15Å; L815-L833 HydrophobicContact CD1-CD1 3.46Å; L815-L833 VanDerWaalsContact CD1-CD1 3.46Å; H829-L833 WeakPolarHBondContact O-CG 3.45Å; H829-L833 PolarHBondContact O-N 2.82Å; F830-L833 CarbonylContact O-C 3.58Å; F830-L833 PolarHBondContact O-N 2.86Å; F830-L833 VanDerWaalsContact O-N 3.11Å; H831-L833 VanDerWaalsContact C-N 3.34Å; H831-L833 PolarHBondContact O-N 3.26Å; L833-K836 PolarHBondContact O-N 3.28Å; L833-H837 WeakPolarHBondContact O-CB 3.26Å; L833-H837 PolarHBondContact O-N 2.88Å; L833-A841 HydrophobicContact CB-CB 4Å; L833-F845 HydrophobicContact CB-CE1 4.28Å; L833-F845 HydrophobicContact CB-CZ 4.29Å; L833-F845 HydrophobicContact CD1-CE1 4.21Å |
| 834 | Y | 90.8 | Very high | 87.9 | Confident | 35 Ų | 35 | 34.7 Ų | 34.7 | 14% | 0.137 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.3 | -45.7 | 176.5 | -178.8 | -118.3 | 0 | 0 | 0 | 111.6 | F830 H831 K836 H837 G838 V842 V860 A861 Q862 H865 | F830-Y834 WeakPolarHBondContact O-CB 3.44Å; F830-Y834 PolarHBondContact O-N 3.23Å; H831-Y834 WeakPolarHBondContact O-CB 3.49Å; H831-Y834 PolarHBondContact O-N 2.99Å; Y834-K836 PolarHBondContact O-N 2.78Å; Y834-K836 VanDerWaalsContact O-N 3.08Å; Y834-H837 PolarHBondContact O-N 3.16Å; Y834-G838 WeakPolarHBondContact CD2-O 3.33Å; Y834-G838 VanDerWaalsContact O-CA 3.31Å; Y834-G838 WeakPolarHBondContact O-CA 3.45Å; Y834-G838 PolarHBondContact O-N 3.1Å; Y834-V842 HydrophobicContact CD2-CG2 3.41Å; Y834-V842 VanDerWaalsContact CD2-CG2 3.41Å; Y834-V842 HydrophobicContact CE2-CG2 3.69Å; Y834-V842 HydrophobicContact CG-CG2 4.38Å; Y834-V860 WeakPolarHBondContact CD1-O 3.22Å; Y834-V860 VanDerWaalsContact CE1-O 3.26Å; Y834-V860 WeakPolarHBondContact CE1-O 3.41Å; Y834-A861 HydrophobicContact CE2-CB 4.43Å; Y834-Q862 WeakPolarHBondContact OH-CB 3.47Å; Y834-Q862 VanDerWaalsContact OH-CG 3.25Å; Y834-Q862 WeakPolarHBondContact OH-CG 3.39Å; Y834-Q862 PolarHBondContact OH-N 3.39Å; Y834-Q862 PolarHBondContact OH-OE1 3.42Å; Y834-H865 HydrophobicContact CE2-CB 4.39Å; Y834-H865 AromaticContact CE2-ND1 3.56Å; Y834-H865 AromaticContact CZ-ND1 3.69Å; Y834-H865 PolarHBondContact OH-ND1 2.86Å |
| 835 | E | 88.6 | Confident | 88.2 | Confident | 114 Ų | 114 | 34.6 Ų | 34.6 | 53% | 0.533 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -55.4 | -24.6 | 170.9 | -72.3 | 163.6 | -146.7 | 0 | 0 | 114.1 | H831 | H831-E835 IonicContact CE1-OE1 3.51Å; H831-E835 PolarHBondContact CE1-OE1 3.48Å; H831-E835 IonicContact CG-OE1 3.08Å; H831-E835 IonicContact ND1-OE1 3.14Å; H831-E835 PolarHBondContact ND1-OE1 3.28Å; H831-E835 WeakPolarHBondContact O-CG 3.4Å; H831-E835 PolarHBondContact O-N 2.85Å |
| 836 | K | 87.5 | Confident | 88.3 | Confident | 121 Ų | 121 | 32.2 Ų | 32.2 | 53% | 0.526 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -102.5 | -27 | -176.6 | -68.5 | -65.7 | 175.2 | -165.8 | 0 | 114.9 | I803 R832 L833 Y834 | I803-K836 HydrophobicContact CG2-CG 4.36Å; R832-K836 VanDerWaalsContact O-CG 3.22Å; R832-K836 WeakPolarHBondContact O-CG 3.41Å; R832-K836 PolarHBondContact O-N 2.94Å; L833-K836 PolarHBondContact O-N 3.28Å; Y834-K836 PolarHBondContact O-N 2.78Å; Y834-K836 VanDerWaalsContact O-N 3.08Å |
| 837 | H | 84.9 | Confident | 88.3 | Confident | 49 Ų | 49 | 34.3 Ų | 34.3 | 23% | 0.227 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -135.8 | -1.8 | -170.6 | -60.6 | -60.8 | 0 | 0 | 0 | 114.3 | G806 L808 L833 Y834 E839 A840 A841 | G806-H837 PolarHBondContact O-CE1 2.93Å; L808-H837 HydrophobicContact CD1-CB 4.48Å; L833-H837 WeakPolarHBondContact O-CB 3.26Å; L833-H837 PolarHBondContact O-N 2.88Å; Y834-H837 PolarHBondContact O-N 3.16Å; H837-E839 PolarHBondContact O-N 3.41Å; H837-A840 PolarHBondContact O-N 3.44Å; H837-A841 HydrophobicContact CB-CB 4.05Å |
| 838 | G | 88.5 | Confident | 88.2 | Confident | 21 Ų | 21 | 34 Ų | 34 | 22% | 0.216 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | -133.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y834 A840 A841 V842 | Y834-G838 WeakPolarHBondContact CD2-O 3.33Å; Y834-G838 VanDerWaalsContact O-CA 3.31Å; Y834-G838 WeakPolarHBondContact O-CA 3.45Å; Y834-G838 PolarHBondContact O-N 3.1Å; G838-A840 PolarHBondContact O-N 2.98Å; G838-A840 VanDerWaalsContact O-N 3.13Å; G838-A841 PolarHBondContact O-N 2.84Å; G838-A841 VanDerWaalsContact O-N 3.09Å; G838-V842 PolarHBondContact O-N 3.15Å |
| 839 | E | 87.4 | Confident | 88.2 | Confident | 49 Ų | 49 | 36.9 Ų | 36.9 | 23% | 0.229 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -51.7 | -33.6 | -179.9 | -160.1 | -171 | -154.5 | 0 | 0 | 114.6 | H837 A841 V842 R843 H865 A868 | H837-E839 PolarHBondContact O-N 3.41Å; E839-A841 VanDerWaalsContact C-N 3.32Å; E839-A841 PolarHBondContact O-N 3.18Å; E839-V842 PolarHBondContact O-N 3.38Å; E839-R843 PolarHBondContact O-N 3.06Å; E839-R843 IonicContact OE1-CZ 3.26Å; E839-R843 IonicContact OE1-NH1 2.82Å; E839-R843 PolarHBondContact OE1-NH1 2.86Å; E839-R843 IonicContact OE1-NH2 3.52Å; E839-R843 PolarHBondContact OE1-NH2 3.25Å; E839-R843 IonicContact OE2-CZ 2.66Å; E839-R843 IonicContact OE2-NH1 3.71Å; E839-R843 PolarHBondContact OE2-NH1 3.45Å; E839-R843 IonicContact OE2-NH2 3.82Å; E839-R843 PolarHBondContact OE2-NH2 2.66Å; E839-H865 HydrophobicContact CB-CB 4.33Å; E839-H865 VanDerWaalsContact CB-CD2 3.5Å; E839-H865 WeakPolarHBondContact CB-CD2 3.38Å; E839-H865 HydrophobicContact CG-CB 4.07Å; E839-A868 HydrophobicContact CG-CB 4.06Å; E839-A868 WeakPolarHBondContact OE1-CB 3.47Å |
| 840 | A | 85.9 | Confident | 88.1 | Confident | 49 Ų | 49 | 41 Ų | 41 | 41% | 0.405 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -66.7 | -32.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L808 H837 G838 S844 | L808-A840 HydrophobicContact CD2-CB 4.13Å; H837-A840 PolarHBondContact O-N 3.44Å; G838-A840 PolarHBondContact O-N 2.98Å; G838-A840 VanDerWaalsContact O-N 3.13Å; A840-S844 PolarHBondContact O-OG 3.28Å |
| 841 | A | 88.1 | Confident | 87.9 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.3 | -42.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L808 L833 H837 G838 E839 S844 F845 | L808-A841 HydrophobicContact CD1-CB 4.2Å; L833-A841 HydrophobicContact CB-CB 4Å; H837-A841 HydrophobicContact CB-CB 4.05Å; G838-A841 PolarHBondContact O-N 2.84Å; G838-A841 VanDerWaalsContact O-N 3.09Å; E839-A841 VanDerWaalsContact C-N 3.32Å; E839-A841 PolarHBondContact O-N 3.18Å; A841-S844 CarbonylContact O-C 3.57Å; A841-S844 WeakPolarHBondContact O-CA 3.39Å; A841-S844 VanDerWaalsContact O-CB 3.26Å; A841-S844 WeakPolarHBondContact O-CB 3.42Å; A841-S844 PolarHBondContact O-N 2.9Å; A841-F845 HydrophobicContact CB-CE1 3.94Å; A841-F845 HydrophobicContact CB-CZ 3.8Å; A841-F845 WeakPolarHBondContact O-CD1 3.48Å; A841-F845 WeakPolarHBondContact O-CE1 3.47Å; A841-F845 WeakPolarHBondContact O-CG 3.36Å; A841-F845 PolarHBondContact O-N 2.81Å; A841-F845 VanDerWaalsContact O-N 3.11Å |
| 842 | V | 89.3 | Confident | 87.8 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63 | -46.5 | -175.6 | 177.6 | 0 | 0 | 0 | 0 | 112 | Y834 G838 E839 S844 F845 V857 A861 H865 | Y834-V842 HydrophobicContact CD2-CG2 3.41Å; Y834-V842 VanDerWaalsContact CD2-CG2 3.41Å; Y834-V842 HydrophobicContact CE2-CG2 3.69Å; Y834-V842 HydrophobicContact CG-CG2 4.38Å; G838-V842 PolarHBondContact O-N 3.15Å; E839-V842 PolarHBondContact O-N 3.38Å; V842-S844 PolarHBondContact O-N 3.49Å; V842-F845 HydrophobicContact CB-CD2 4.47Å; V842-F845 HydrophobicContact CG2-CD2 4.39Å; V842-F845 HydrophobicContact CG2-CE2 4Å; V842-F845 PolarHBondContact O-N 3.04Å; V842-F845 VanDerWaalsContact O-N 3.09Å; V842-V857 HydrophobicContact CG1-CG1 4.12Å; V842-A861 HydrophobicContact CG1-CB 4.09Å; V842-A861 HydrophobicContact CG2-CB 3.83Å; V842-H865 HydrophobicContact CB-CB 4.43Å; V842-H865 HydrophobicContact CG1-CB 4.31Å; V842-H865 WeakPolarHBondContact CG1-O 3.42Å; V842-H865 HydrophobicContact CG2-CB 4.33Å |
| 843 | R | 88.5 | Confident | 87.8 | Confident | 85 Ų | 85 | 42.3 Ų | 42.3 | 32% | 0.321 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -54.6 | -37.6 | 170.9 | -69.2 | -168.1 | 174.8 | 91.5 | 11.4 | 112.3 | E839 F845 S846 A868 | E839-R843 PolarHBondContact O-N 3.06Å; E839-R843 IonicContact OE1-CZ 3.26Å; E839-R843 IonicContact OE1-NH1 2.82Å; E839-R843 PolarHBondContact OE1-NH1 2.86Å; E839-R843 IonicContact OE1-NH2 3.52Å; E839-R843 PolarHBondContact OE1-NH2 3.25Å; E839-R843 IonicContact OE2-CZ 2.66Å; E839-R843 IonicContact OE2-NH1 3.71Å; E839-R843 PolarHBondContact OE2-NH1 3.45Å; E839-R843 IonicContact OE2-NH2 3.82Å; E839-R843 PolarHBondContact OE2-NH2 2.66Å; R843-F845 VanDerWaalsContact C-N 3.34Å; R843-F845 PolarHBondContact O-N 2.84Å; R843-S846 PolarHBondContact O-OG 3.09Å; R843-A868 HydrophobicContact CG-CB 4.07Å |
| 844 | S | 88.3 | Confident | 87.8 | Confident | 31 Ų | 31 | 43 Ų | 43 | 22% | 0.217 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -75.3 | -14.7 | -179.1 | -54.2 | 0 | 0 | 0 | 0 | 114.4 | A840 A841 V842 S846 Q847 | A840-S844 PolarHBondContact O-OG 3.28Å; A841-S844 CarbonylContact O-C 3.57Å; A841-S844 WeakPolarHBondContact O-CA 3.39Å; A841-S844 VanDerWaalsContact O-CB 3.26Å; A841-S844 WeakPolarHBondContact O-CB 3.42Å; A841-S844 PolarHBondContact O-N 2.9Å; V842-S844 PolarHBondContact O-N 3.49Å; S844-S846 VanDerWaalsContact C-N 3.26Å; S844-S846 PolarHBondContact O-N 3.41Å; S844-Q847 VanDerWaalsContact O-CG 3.29Å; S844-Q847 WeakPolarHBondContact O-CG 3.3Å |
| 845 | F | 89.8 | Confident | 87.6 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 0% | 0.004 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -72.2 | -19.9 | 179.4 | -62.1 | -23.3 | 0 | 0 | 0 | 113.3 | F830 L833 A841 V842 R843 Q847 F848 V857 Y869 | F830-F845 HydrophobicContact CB-CE1 3.9Å; F830-F845 HydrophobicContact CB-CE2 3.88Å; F830-F845 HydrophobicContact CB-CZ 3.55Å; F830-F845 HydrophobicContact CD1-CD1 4.1Å; F830-F845 AromaticContact CD1-CE1 3.91Å; F830-F845 HydrophobicContact CD1-CE1 3.91Å; F830-F845 HydrophobicContact CD1-CZ 4.46Å; F830-F845 HydrophobicContact CD2-CB 4.18Å; F830-F845 AromaticContact CD2-CD1 3.65Å; F830-F845 HydrophobicContact CD2-CD1 3.65Å; F830-F845 AromaticContact CD2-CD2 3.7Å; F830-F845 HydrophobicContact CD2-CD2 3.7Å; F830-F845 AromaticContact CD2-CE1 3.9Å; F830-F845 HydrophobicContact CD2-CE1 3.9Å; F830-F845 AromaticContact CD2-CE2 3.94Å; F830-F845 HydrophobicContact CD2-CE2 3.94Å; F830-F845 AromaticContact CD2-CG 3.58Å; F830-F845 HydrophobicContact CD2-CG 3.58Å; F830-F845 HydrophobicContact CD2-CZ 4.05Å; F830-F845 HydrophobicContact CE1-CD1 4.27Å; F830-F845 HydrophobicContact CE1-CE1 4.48Å; F830-F845 HydrophobicContact CE2-CB 3.86Å; F830-F845 AromaticContact CE2-CD1 3.81Å; F830-F845 HydrophobicContact CE2-CD1 3.81Å; F830-F845 HydrophobicContact CE2-CD2 4.26Å; F830-F845 HydrophobicContact CE2-CE1 4.45Å; F830-F845 AromaticContact CE2-CG 3.72Å; F830-F845 HydrophobicContact CE2-CG 3.72Å; F830-F845 AromaticContact CG-CD1 3.83Å; F830-F845 HydrophobicContact CG-CD1 3.83Å; F830-F845 HydrophobicContact CG-CD2 4.29Å; F830-F845 AromaticContact CG-CE1 3.62Å; F830-F845 HydrophobicContact CG-CE1 3.62Å; F830-F845 HydrophobicContact CG-CE2 4.1Å; F830-F845 HydrophobicContact CG-CG 4.19Å; F830-F845 AromaticContact CG-CZ 3.78Å; F830-F845 HydrophobicContact CG-CZ 3.78Å; F830-F845 HydrophobicContact CZ-CD1 4.15Å; F830-F845 HydrophobicContact CZ-CG 4.47Å; L833-F845 HydrophobicContact CB-CE1 4.28Å; L833-F845 HydrophobicContact CB-CZ 4.29Å; L833-F845 HydrophobicContact CD1-CE1 4.21Å; A841-F845 HydrophobicContact CB-CE1 3.94Å; A841-F845 HydrophobicContact CB-CZ 3.8Å; A841-F845 WeakPolarHBondContact O-CD1 3.48Å; A841-F845 WeakPolarHBondContact O-CE1 3.47Å; A841-F845 WeakPolarHBondContact O-CG 3.36Å; A841-F845 PolarHBondContact O-N 2.81Å; A841-F845 VanDerWaalsContact O-N 3.11Å; V842-F845 HydrophobicContact CB-CD2 4.47Å; V842-F845 HydrophobicContact CG2-CD2 4.39Å; V842-F845 HydrophobicContact CG2-CE2 4Å; V842-F845 PolarHBondContact O-N 3.04Å; V842-F845 VanDerWaalsContact O-N 3.09Å; R843-F845 VanDerWaalsContact C-N 3.34Å; R843-F845 PolarHBondContact O-N 2.84Å; F845-Q847 PolarHBondContact O-N 3.46Å; F845-F848 PolarHBondContact O-N 3.34Å; F845-V857 HydrophobicContact CD2-CG1 4.22Å; F845-Y869 HydrophobicContact CB-CD2 4.11Å; F845-Y869 HydrophobicContact CB-CE2 4.12Å |
| 846 | S | 88.3 | Confident | 87.6 | Confident | 13 Ų | 13 | 38.1 Ų | 38.1 | 9% | 0.091 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -50.1 | -31.4 | 176.5 | 55 | 0 | 0 | 0 | 0 | 113.8 | R843 S844 F848 Y849 | R843-S846 PolarHBondContact O-OG 3.09Å; S844-S846 VanDerWaalsContact C-N 3.26Å; S844-S846 PolarHBondContact O-N 3.41Å; S846-F848 PolarHBondContact O-N 2.96Å; S846-Y849 PolarHBondContact O-N 3.11Å |
| 847 | Q | 87.3 | Confident | 87.7 | Confident | 50 Ų | 50 | 32.4 Ų | 32.4 | 23% | 0.234 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -67.6 | -11.9 | 178.3 | 78.3 | -170.4 | 9.7 | 0 | 0 | 115.4 | S844 F845 | S844-Q847 VanDerWaalsContact O-CG 3.29Å; S844-Q847 WeakPolarHBondContact O-CG 3.3Å; F845-Q847 PolarHBondContact O-N 3.46Å |
| 848 | F | 87.4 | Confident | 87.8 | Confident | 5 Ų | 5 | 32.7 Ų | 32.7 | 2% | 0.022 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -105.7 | -0 | -177.8 | -60.8 | -80.1 | 0 | 0 | 0 | 113.5 | L812 L815 R816 W821 F830 F845 S846 I851 I852 | L812-F848 HydrophobicContact CD2-CE2 4.11Å; L815-F848 HydrophobicContact CB-CZ 4.05Å; R816-F848 HydrophobicContact CG-CE1 4.26Å; R816-F848 HydrophobicContact CG-CZ 4.48Å; W821-F848 HydrophobicContact CZ2-CD1 4.21Å; W821-F848 HydrophobicContact CZ2-CE1 4.15Å; F830-F848 AromaticContact CE1-CD2 3.83Å; F830-F848 HydrophobicContact CE1-CD2 3.83Å; F830-F848 AromaticContact CE1-CE2 3.76Å; F830-F848 HydrophobicContact CE1-CE2 3.76Å; F830-F848 HydrophobicContact CE1-CG 4.38Å; F830-F848 HydrophobicContact CE1-CZ 4.28Å; F830-F848 HydrophobicContact CE2-CD2 4.17Å; F830-F848 HydrophobicContact CZ-CB 3.93Å; F830-F848 HydrophobicContact CZ-CD1 4.45Å; F830-F848 AromaticContact CZ-CD2 3.26Å; F830-F848 HydrophobicContact CZ-CD2 3.26Å; F830-F848 AromaticContact CZ-CE2 3.71Å; F830-F848 HydrophobicContact CZ-CE2 3.71Å; F830-F848 AromaticContact CZ-CG 3.67Å; F830-F848 HydrophobicContact CZ-CG 3.67Å; F830-F848 HydrophobicContact CZ-CZ 4.47Å; F845-F848 PolarHBondContact O-N 3.34Å; S846-F848 PolarHBondContact O-N 2.96Å; F848-I851 PolarHBondContact O-N 3.28Å; F848-I852 HydrophobicContact CB-CG1 4.36Å; F848-I852 PolarHBondContact O-N 3.07Å |
| 849 | Y | 87.1 | Confident | 87.7 | Confident | 64 Ų | 64 | 32.8 Ų | 32.8 | 25% | 0.251 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | 136.5 | 168.7 | -179.5 | -83.9 | 0 | 0 | 0 | 110 | S846 L873 F885 L889 | S846-Y849 PolarHBondContact O-N 3.11Å; Y849-L873 HydrophobicContact CD1-CD1 4.35Å; Y849-L873 HydrophobicContact CD2-CD1 4.17Å; Y849-L873 HydrophobicContact CD2-CD2 4.2Å; Y849-L873 HydrophobicContact CG-CD1 3.82Å; Y849-F885 HydrophobicContact CD1-CZ 4.26Å; Y849-F885 AromaticContact CE1-CE2 3.69Å; Y849-F885 HydrophobicContact CE1-CE2 3.69Å; Y849-F885 AromaticContact CE1-CZ 3.78Å; Y849-F885 HydrophobicContact CE1-CZ 3.78Å; Y849-F885 AromaticContact CZ-CE2 3.78Å; Y849-F885 AromaticContact CZ-CZ 3.92Å; Y849-L889 HydrophobicContact CE2-CD2 3.98Å |
| 850 | P | 86.6 | Confident | 87.6 | Confident | 93 Ų | 93 | 31 Ų | 31 | 60% | 0.604 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -97.7 | 9.2 | 13.4 | 38.8 | -37.5 | 0 | 0 | 0 | 115.3 | I852 | P850-I852 VanDerWaalsContact C-N 3.33Š|
| 851 | I | 85.3 | Confident | 87.7 | Confident | 63 Ų | 63 | 29.3 Ų | 29.3 | 32% | 0.323 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -35.6 | -177.2 | -64.2 | 170.3 | 0 | 0 | 0 | 110.6 | W821 A823 L826 F848 | W821-I851 HydrophobicContact CB-CD1 4.17Å; W821-I851 HydrophobicContact CD2-CD1 4.19Å; W821-I851 HydrophobicContact CE3-CD1 3.37Å; W821-I851 HydrophobicContact CZ3-CD1 4.05Å; A823-I851 HydrophobicContact CB-CG2 4.25Å; L826-I851 HydrophobicContact CD1-CG2 4.26Å; F848-I851 PolarHBondContact O-N 3.28Å |
| 852 | I | 87.1 | Confident | 87.6 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -105.2 | 127.3 | 166.5 | -55.9 | -53.8 | 0 | 0 | 0 | 108 | A823 L826 L827 F830 F848 P850 D856 V857 | A823-I852 HydrophobicContact CB-CD1 3.86Å; L826-I852 HydrophobicContact CB-CD1 4.09Å; L826-I852 HydrophobicContact CD1-CD1 4.45Å; L826-I852 HydrophobicContact CD1-CG1 4.48Å; L827-I852 HydrophobicContact CD2-CD1 4.1Å; L827-I852 HydrophobicContact CD2-CG2 4.02Å; L827-I852 HydrophobicContact CG-CD1 3.98Å; F830-I852 HydrophobicContact CD2-CG2 4.42Å; F830-I852 HydrophobicContact CE2-CB 4.14Å; F830-I852 HydrophobicContact CE2-CG1 3.73Å; F830-I852 HydrophobicContact CE2-CG2 3.94Å; F830-I852 HydrophobicContact CZ-CG1 3.95Å; F848-I852 HydrophobicContact CB-CG1 4.36Å; F848-I852 PolarHBondContact O-N 3.07Å; P850-I852 VanDerWaalsContact C-N 3.33Å; I852-D856 HydrophobicContact CG2-CB 3.66Å; I852-V857 HydrophobicContact CG2-CG2 3.86Å |
| 853 | T | 88.4 | Confident | 87.3 | Confident | 46 Ų | 46 | 43.3 Ų | 43.3 | 28% | 0.282 | 22% | 0.22 | S | C | . | . | trans | -91.3 | 166.8 | -178.7 | 71.9 | 0 | 0 | 0 | 0 | 111.5 | A855 D856 V857 | T853-A855 VanDerWaalsContact C-N 3.31Å; T853-A855 PolarHBondContact O-N 2.9Å; T853-D856 VanDerWaalsContact CB-OD2 3.31Å; T853-D856 WeakPolarHBondContact CB-OD2 3.39Å; T853-D856 WeakPolarHBondContact CG2-OD2 3.31Å; T853-D856 PolarHBondContact N-OD2 3.47Å; T853-D856 WeakPolarHBondContact O-CB 3.42Å; T853-D856 PolarHBondContact O-N 2.93Å; T853-D856 PolarHBondContact OG1-N 2.87Å; T853-D856 PolarHBondContact OG1-OD2 2.93Å; T853-V857 PolarHBondContact O-N 3.43Å | ||
| 854 | P | 88.8 | Confident | 86.9 | Confident | 15 Ų | 15 | 40.4 Ų | 40.4 | 10% | 0.097 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58 | -40.9 | 171.9 | -24.7 | 35.1 | 0 | 0 | 0 | 113.3 | D856 V857 E858 F866 Y869 L870 L873 L889 | P854-D856 VanDerWaalsContact C-N 3.3Å; P854-D856 PolarHBondContact O-N 2.81Å; P854-V857 PolarHBondContact O-N 3.45Å; P854-E858 PolarHBondContact O-N 3.11Å; P854-F866 HydrophobicContact CB-CE2 4.11Å; P854-F866 HydrophobicContact CB-CZ 4.21Å; P854-F866 VanDerWaalsContact O-CE2 3.27Å; P854-F866 WeakPolarHBondContact O-CE2 3.41Å; P854-Y869 HydrophobicContact CB-CE1 4.13Å; P854-Y869 HydrophobicContact CG-CE1 4.38Å; P854-L870 HydrophobicContact CB-CD2 4.15Å; P854-L873 HydrophobicContact CG-CD2 4.12Å; P854-L889 HydrophobicContact CG-CD2 4.15Å |
| 855 | A | 86.6 | Confident | 86.9 | Confident | 46 Ų | 46 | 40.8 Ų | 40.8 | 38% | 0.38 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -60.3 | -39.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | L773 T853 V857 E858 T859 | L773-A855 HydrophobicContact CD2-CB 4.23Å; T853-A855 VanDerWaalsContact C-N 3.31Å; T853-A855 PolarHBondContact O-N 2.9Å; A855-V857 VanDerWaalsContact C-N 3.33Å; A855-V857 PolarHBondContact O-N 3.38Å; A855-E858 PolarHBondContact O-N 2.92Å; A855-T859 PolarHBondContact O-N 3.03Å |
| 856 | D | 88.5 | Confident | 86.9 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.8 | -41.7 | 172.9 | -67.1 | -74 | 0 | 0 | 0 | 112.1 | R769 L827 I852 T853 P854 T859 | R769-D856 IonicContact CZ-OD1 2.71Å; R769-D856 IonicContact NH1-OD1 3.19Å; R769-D856 PolarHBondContact NH1-OD1 3.06Å; R769-D856 IonicContact NH1-OD2 2.7Å; R769-D856 PolarHBondContact NH1-OD2 3.48Å; L827-D856 HydrophobicContact CD1-CB 4.23Å; L827-D856 WeakPolarHBondContact CD1-OD1 3.4Å; L827-D856 HydrophobicContact CD2-CB 3.81Å; I852-D856 HydrophobicContact CG2-CB 3.66Å; T853-D856 VanDerWaalsContact CB-OD2 3.31Å; T853-D856 WeakPolarHBondContact CB-OD2 3.39Å; T853-D856 WeakPolarHBondContact CG2-OD2 3.31Å; T853-D856 PolarHBondContact N-OD2 3.47Å; T853-D856 WeakPolarHBondContact O-CB 3.42Å; T853-D856 PolarHBondContact O-N 2.93Å; T853-D856 PolarHBondContact OG1-N 2.87Å; T853-D856 PolarHBondContact OG1-OD2 2.93Å; P854-D856 VanDerWaalsContact C-N 3.3Å; P854-D856 PolarHBondContact O-N 2.81Å; D856-T859 PolarHBondContact O-N 3.03Å; D856-T859 PolarHBondContact O-OG1 3.39Å |
| 857 | V | 89.5 | Confident | 86.9 | Confident | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -70.5 | -34.2 | 178.1 | -177.4 | 0 | 0 | 0 | 0 | 111.8 | V842 F845 I852 T853 P854 A855 T859 V860 A861 F866 Y869 | V842-V857 HydrophobicContact CG1-CG1 4.12Å; F845-V857 HydrophobicContact CD2-CG1 4.22Å; I852-V857 HydrophobicContact CG2-CG2 3.86Å; T853-V857 PolarHBondContact O-N 3.43Å; P854-V857 PolarHBondContact O-N 3.45Å; A855-V857 VanDerWaalsContact C-N 3.33Å; A855-V857 PolarHBondContact O-N 3.38Å; V857-T859 VanDerWaalsContact C-N 3.27Å; V857-T859 PolarHBondContact O-N 2.91Å; V857-V860 PolarHBondContact O-N 3.04Å; V857-A861 HydrophobicContact CG1-CB 4.34Å; V857-A861 WeakPolarHBondContact O-CB 3.42Å; V857-A861 PolarHBondContact O-N 3.28Å; V857-F866 HydrophobicContact CB-CD2 4.4Å; V857-F866 HydrophobicContact CG1-CD2 4.25Å; V857-Y869 HydrophobicContact CB-CD1 4.21Å; V857-Y869 HydrophobicContact CB-CE1 4.11Å; V857-Y869 HydrophobicContact CB-CG 4.49Å; V857-Y869 HydrophobicContact CG1-CD1 4.06Å; V857-Y869 HydrophobicContact CG1-CD2 4.22Å; V857-Y869 HydrophobicContact CG1-CE1 4.43Å; V857-Y869 HydrophobicContact CG1-CG 3.94Å; V857-Y869 HydrophobicContact CG2-CD1 4.43Å; V857-Y869 HydrophobicContact CG2-CD2 4.25Å; V857-Y869 HydrophobicContact CG2-CE1 4Å; V857-Y869 HydrophobicContact CG2-CE2 3.79Å |
| 858 | E | 87.1 | Confident | 87 | Confident | 55 Ų | 55 | 37.9 Ų | 37.9 | 26% | 0.257 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -60.7 | -34.7 | 173.6 | -169.4 | 177.1 | 179.6 | 0 | 0 | 112 | P854 A855 V860 F866 | P854-E858 PolarHBondContact O-N 3.11Å; A855-E858 PolarHBondContact O-N 2.92Å; E858-V860 PolarHBondContact O-N 3.06Å; E858-F866 HydrophobicContact CB-CD2 4.18Å; E858-F866 HydrophobicContact CB-CE2 4.06Å; E858-F866 HydrophobicContact CB-CG 4.48Å; E858-F866 HydrophobicContact CB-CZ 4.22Å |
| 859 | T | 86.2 | Confident | 87.2 | Confident | 22 Ų | 22 | 37.7 Ų | 37.7 | 14% | 0.135 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -16.7 | 174.5 | 67.9 | 0 | 0 | 0 | 0 | 114.6 | L773 Y776 M783 A855 D856 V857 | L773-T859 HydrophobicContact CD2-CG2 3.92Å; Y776-T859 HydrophobicContact CD1-CG2 4.32Å; Y776-T859 HydrophobicContact CD2-CG2 4.05Å; Y776-T859 HydrophobicContact CE1-CG2 4.19Å; Y776-T859 HydrophobicContact CE2-CG2 3.92Å; Y776-T859 HydrophobicContact CG-CG2 4.25Å; M783-T859 HydrophobicContact CE-CG2 4Å; M783-T859 VanDerWaalsContact CE-OG1 3.29Å; M783-T859 WeakPolarHBondContact CE-OG1 3.44Å; M783-T859 HydrophobicContact CG-CG2 3.99Å; A855-T859 PolarHBondContact O-N 3.03Å; D856-T859 PolarHBondContact O-N 3.03Å; D856-T859 PolarHBondContact O-OG1 3.39Å; V857-T859 VanDerWaalsContact C-N 3.27Å; V857-T859 PolarHBondContact O-N 2.91Å |
| 860 | V | 86.5 | Confident | 87.3 | Confident | 12 Ų | 12 | 34.6 Ų | 34.6 | 7% | 0.073 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106 | -33.3 | -174.9 | 176.7 | 0 | 0 | 0 | 0 | 112.4 | L827 F830 H831 Y834 V857 E858 | L827-V860 HydrophobicContact CD2-CG2 4.22Å; F830-V860 HydrophobicContact CB-CG1 4.48Å; H831-V860 HydrophobicContact CB-CG1 4.32Å; Y834-V860 WeakPolarHBondContact CD1-O 3.22Å; Y834-V860 VanDerWaalsContact CE1-O 3.26Å; Y834-V860 WeakPolarHBondContact CE1-O 3.41Å; V857-V860 PolarHBondContact O-N 3.04Å; E858-V860 PolarHBondContact O-N 3.06Å |
| 861 | A | 87.1 | Confident | 87.4 | Confident | 13 Ų | 13 | 31.6 Ų | 31.6 | 11% | 0.107 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -104.6 | 153.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y834 V842 V857 H865 F866 | Y834-A861 HydrophobicContact CE2-CB 4.43Å; V842-A861 HydrophobicContact CG1-CB 4.09Å; V842-A861 HydrophobicContact CG2-CB 3.83Å; V857-A861 HydrophobicContact CG1-CB 4.34Å; V857-A861 WeakPolarHBondContact O-CB 3.42Å; V857-A861 PolarHBondContact O-N 3.28Å; A861-H865 HydrophobicContact CB-CB 4.45Å; A861-F866 HydrophobicContact CB-CB 4.49Å |
| 862 | Q | 85.7 | Confident | 87.7 | Confident | 115 Ų | 115 | 31.2 Ų | 31.2 | 54% | 0.537 | 16% | 0.161 | S | C | . | . | trans | -64.4 | 147.9 | 163.5 | -75.1 | 165.2 | -10.4 | 0 | 0 | 110.1 | Y834 S864 H865 F866 | Y834-Q862 WeakPolarHBondContact OH-CB 3.47Å; Y834-Q862 VanDerWaalsContact OH-CG 3.25Å; Y834-Q862 WeakPolarHBondContact OH-CG 3.39Å; Y834-Q862 PolarHBondContact OH-N 3.39Å; Y834-Q862 PolarHBondContact OH-OE1 3.42Å; Q862-S864 PolarHBondContact O-N 2.73Å; Q862-S864 VanDerWaalsContact O-N 3.15Å; Q862-H865 PolarHBondContact O-N 3.36Å; Q862-H865 PolarHBondContact OE1-CE1 3.32Å; Q862-H865 PolarHBondContact OE1-ND1 3.2Å; Q862-F866 PolarHBondContact O-N 2.72Å | ||
| 863 | R | 82.4 | Confident | 87.8 | Confident | 179 Ų | 179 | 31.2 Ų | 31.2 | 68% | 0.675 | 16% | 0.161 | S | C | * | . | H | α-helix | trans | -52.3 | -38.4 | -178.8 | -72.5 | -176.9 | 168.2 | -177.8 | -4.9 | 113.5 | F866 L867 L902 | R863-F866 PolarHBondContact O-N 2.87Å; R863-L867 PolarHBondContact O-N 3.31Å; R863-L902 HydrophobicContact CB-CD1 4.17Å |
| 864 | S | 80.8 | Confident | 87.9 | Confident | 25 Ų | 25 | 29 Ų | 29 | 18% | 0.175 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -52.1 | -58.9 | 170.1 | 43.6 | 0 | 0 | 0 | 0 | 112.6 | Q862 F866 L867 H906 | Q862-S864 PolarHBondContact O-N 2.73Å; Q862-S864 VanDerWaalsContact O-N 3.15Å; S864-F866 VanDerWaalsContact C-N 3.3Å; S864-F866 PolarHBondContact O-N 2.59Å; S864-L867 WeakPolarHBondContact O-CB 3.27Å; S864-L867 PolarHBondContact O-N 3.2Å; S864-H906 VanDerWaalsContact CB-CD2 3.46Å; S864-H906 WeakPolarHBondContact CB-CD2 3.4Å; S864-H906 WeakPolarHBondContact CB-NE2 3.42Å |
| 865 | H | 87.9 | Confident | 87.8 | Confident | 39 Ų | 39 | 30.2 Ų | 30.2 | 18% | 0.181 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -69.1 | -28.2 | -177.8 | -54.6 | 143.8 | 0 | 0 | 0 | 112.6 | Y834 E839 V842 A861 Q862 L867 A868 Y869 | Y834-H865 HydrophobicContact CE2-CB 4.39Å; Y834-H865 AromaticContact CE2-ND1 3.56Å; Y834-H865 AromaticContact CZ-ND1 3.69Å; Y834-H865 PolarHBondContact OH-ND1 2.86Å; E839-H865 HydrophobicContact CB-CB 4.33Å; E839-H865 VanDerWaalsContact CB-CD2 3.5Å; E839-H865 WeakPolarHBondContact CB-CD2 3.38Å; E839-H865 HydrophobicContact CG-CB 4.07Å; V842-H865 HydrophobicContact CB-CB 4.43Å; V842-H865 HydrophobicContact CG1-CB 4.31Å; V842-H865 WeakPolarHBondContact CG1-O 3.42Å; V842-H865 HydrophobicContact CG2-CB 4.33Å; A861-H865 HydrophobicContact CB-CB 4.45Å; Q862-H865 PolarHBondContact O-N 3.36Å; Q862-H865 PolarHBondContact OE1-CE1 3.32Å; Q862-H865 PolarHBondContact OE1-ND1 3.2Å; H865-L867 VanDerWaalsContact C-N 3.34Å; H865-L867 PolarHBondContact O-N 2.89Å; H865-A868 WeakPolarHBondContact O-CB 3.44Å; H865-A868 PolarHBondContact O-N 2.74Å; H865-Y869 PolarHBondContact O-N 3.08Å; H865-Y869 VanDerWaalsContact O-N 3.17Å |
| 866 | F | 89.8 | Confident | 87.7 | Confident | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.009 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.7 | -39 | 173.6 | 173.3 | -115.1 | 0 | 0 | 0 | 112.3 | P854 V857 E858 A861 Q862 R863 S864 A868 Y869 L870 W899 | P854-F866 HydrophobicContact CB-CE2 4.11Å; P854-F866 HydrophobicContact CB-CZ 4.21Å; P854-F866 VanDerWaalsContact O-CE2 3.27Å; P854-F866 WeakPolarHBondContact O-CE2 3.41Å; V857-F866 HydrophobicContact CB-CD2 4.4Å; V857-F866 HydrophobicContact CG1-CD2 4.25Å; E858-F866 HydrophobicContact CB-CD2 4.18Å; E858-F866 HydrophobicContact CB-CE2 4.06Å; E858-F866 HydrophobicContact CB-CG 4.48Å; E858-F866 HydrophobicContact CB-CZ 4.22Å; A861-F866 HydrophobicContact CB-CB 4.49Å; Q862-F866 PolarHBondContact O-N 2.72Å; R863-F866 PolarHBondContact O-N 2.87Å; S864-F866 VanDerWaalsContact C-N 3.3Å; S864-F866 PolarHBondContact O-N 2.59Å; F866-A868 VanDerWaalsContact C-N 3.31Å; F866-A868 PolarHBondContact O-N 3.02Å; F866-Y869 HydrophobicContact CD2-CD1 4.14Å; F866-Y869 HydrophobicContact CE2-CD1 4.08Å; F866-Y869 HydrophobicContact CE2-CE1 4.39Å; F866-Y869 WeakPolarHBondContact O-CB 3.29Å; F866-Y869 PolarHBondContact O-N 3.09Å; F866-Y869 VanDerWaalsContact O-N 3.07Å; F866-L870 HydrophobicContact CD1-CD1 4.1Å; F866-L870 HydrophobicContact CD1-CG 4.48Å; F866-L870 HydrophobicContact CE1-CD1 3.53Å; F866-L870 HydrophobicContact CE1-CD2 4.49Å; F866-L870 HydrophobicContact CE1-CG 4.03Å; F866-L870 HydrophobicContact CE2-CD1 4.45Å; F866-L870 HydrophobicContact CE2-CD2 4.11Å; F866-L870 HydrophobicContact CE2-CG 4.06Å; F866-L870 HydrophobicContact CZ-CD1 3.74Å; F866-L870 HydrophobicContact CZ-CD2 3.84Å; F866-L870 HydrophobicContact CZ-CG 3.8Å; F866-L870 PolarHBondContact O-N 3.03Å; F866-W899 AromaticContact CE1-NE1 3.84Å; F866-W899 HydrophobicContact CZ-CZ2 4.31Å |
| 867 | L | 89.1 | Confident | 87.6 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.4 | -40.9 | 173.8 | -177.8 | 62.6 | 0 | 0 | 0 | 111.7 | R863 S864 H865 Y869 L870 D871 L902 A903 H906 Y932 F935 | R863-L867 PolarHBondContact O-N 3.31Å; S864-L867 WeakPolarHBondContact O-CB 3.27Å; S864-L867 PolarHBondContact O-N 3.2Å; H865-L867 VanDerWaalsContact C-N 3.34Å; H865-L867 PolarHBondContact O-N 2.89Å; L867-Y869 VanDerWaalsContact C-N 3.28Å; L867-Y869 PolarHBondContact O-N 3.07Å; L867-L870 PolarHBondContact O-N 2.72Å; L867-D871 PolarHBondContact O-N 2.85Å; L867-L902 HydrophobicContact CB-CD2 4.09Å; L867-L902 HydrophobicContact CB-CG 4.34Å; L867-L902 HydrophobicContact CD2-CG 4.28Å; L867-A903 HydrophobicContact CD1-CB 4.08Å; L867-A903 HydrophobicContact CD2-CB 3.92Å; L867-H906 HydrophobicContact CD2-CB 4.1Å; L867-Y932 HydrophobicContact CD1-CD1 4.47Å; L867-Y932 HydrophobicContact CD2-CD1 4.05Å; L867-Y932 HydrophobicContact CD2-CD2 3.4Å; L867-Y932 HydrophobicContact CD2-CE1 4.13Å; L867-Y932 HydrophobicContact CD2-CE2 3.49Å; L867-Y932 VanDerWaalsContact CD2-CE2 3.49Å; L867-Y932 HydrophobicContact CD2-CG 3.7Å; L867-Y932 HydrophobicContact CG-CD1 3.9Å; L867-Y932 HydrophobicContact CG-CD2 4.16Å; L867-Y932 HydrophobicContact CG-CE1 3.83Å; L867-Y932 HydrophobicContact CG-CE2 4.08Å; L867-Y932 HydrophobicContact CG-CG 4.07Å; L867-F935 HydrophobicContact CD1-CD1 3.79Å; L867-F935 HydrophobicContact CD1-CE1 3.47Å; L867-F935 VanDerWaalsContact CD1-CE1 3.47Å; L867-F935 HydrophobicContact CD1-CZ 4.3Å |
| 868 | A | 88.1 | Confident | 87.3 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.008 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.6 | -29.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | E839 R843 H865 F866 N872 | E839-A868 HydrophobicContact CG-CB 4.06Å; E839-A868 WeakPolarHBondContact OE1-CB 3.47Å; R843-A868 HydrophobicContact CG-CB 4.07Å; H865-A868 WeakPolarHBondContact O-CB 3.44Å; H865-A868 PolarHBondContact O-N 2.74Å; F866-A868 VanDerWaalsContact C-N 3.31Å; F866-A868 PolarHBondContact O-N 3.02Å; A868-N872 PolarHBondContact O-N 3.29Å; A868-N872 PolarHBondContact O-ND2 3.05Å |
| 869 | Y | 91.6 | Very high | 87 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -71.5 | -45.6 | 169.2 | 161 | -91.8 | 0 | 0 | 0 | 112.1 | F845 P854 V857 H865 F866 L867 D871 N872 L873 | F845-Y869 HydrophobicContact CB-CD2 4.11Å; F845-Y869 HydrophobicContact CB-CE2 4.12Å; P854-Y869 HydrophobicContact CB-CE1 4.13Å; P854-Y869 HydrophobicContact CG-CE1 4.38Å; V857-Y869 HydrophobicContact CB-CD1 4.21Å; V857-Y869 HydrophobicContact CB-CE1 4.11Å; V857-Y869 HydrophobicContact CB-CG 4.49Å; V857-Y869 HydrophobicContact CG1-CD1 4.06Å; V857-Y869 HydrophobicContact CG1-CD2 4.22Å; V857-Y869 HydrophobicContact CG1-CE1 4.43Å; V857-Y869 HydrophobicContact CG1-CG 3.94Å; V857-Y869 HydrophobicContact CG2-CD1 4.43Å; V857-Y869 HydrophobicContact CG2-CD2 4.25Å; V857-Y869 HydrophobicContact CG2-CE1 4Å; V857-Y869 HydrophobicContact CG2-CE2 3.79Å; H865-Y869 PolarHBondContact O-N 3.08Å; H865-Y869 VanDerWaalsContact O-N 3.17Å; F866-Y869 HydrophobicContact CD2-CD1 4.14Å; F866-Y869 HydrophobicContact CE2-CD1 4.08Å; F866-Y869 HydrophobicContact CE2-CE1 4.39Å; F866-Y869 WeakPolarHBondContact O-CB 3.29Å; F866-Y869 PolarHBondContact O-N 3.09Å; F866-Y869 VanDerWaalsContact O-N 3.07Å; L867-Y869 VanDerWaalsContact C-N 3.28Å; L867-Y869 PolarHBondContact O-N 3.07Å; Y869-D871 PolarHBondContact O-N 3.14Å; Y869-N872 PolarHBondContact O-N 3.15Å; Y869-L873 HydrophobicContact CE1-CD2 3.84Å; Y869-L873 WeakPolarHBondContact O-CB 3.21Å; Y869-L873 PolarHBondContact O-N 3.42Å |
| 870 | L | 89.9 | Confident | 86.9 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.4 | -46.2 | 178.9 | -73.4 | 178.7 | 0 | 0 | 0 | 111.9 | P854 F866 L867 N872 L873 V874 W899 F935 | P854-L870 HydrophobicContact CB-CD2 4.15Å; F866-L870 HydrophobicContact CD1-CD1 4.1Å; F866-L870 HydrophobicContact CD1-CG 4.48Å; F866-L870 HydrophobicContact CE1-CD1 3.53Å; F866-L870 HydrophobicContact CE1-CD2 4.49Å; F866-L870 HydrophobicContact CE1-CG 4.03Å; F866-L870 HydrophobicContact CE2-CD1 4.45Å; F866-L870 HydrophobicContact CE2-CD2 4.11Å; F866-L870 HydrophobicContact CE2-CG 4.06Å; F866-L870 HydrophobicContact CZ-CD1 3.74Å; F866-L870 HydrophobicContact CZ-CD2 3.84Å; F866-L870 HydrophobicContact CZ-CG 3.8Å; F866-L870 PolarHBondContact O-N 3.03Å; L867-L870 PolarHBondContact O-N 2.72Å; L870-N872 PolarHBondContact O-N 3.07Å; L870-L873 PolarHBondContact O-N 3.34Å; L870-V874 WeakPolarHBondContact O-CG2 3.47Å; L870-V874 PolarHBondContact O-N 2.94Å; L870-W899 HydrophobicContact CD1-CD2 3.53Å; L870-W899 HydrophobicContact CD1-CE3 3.73Å; L870-W899 HydrophobicContact CD1-CG 4.01Å; L870-W899 HydrophobicContact CD1-CH2 4.25Å; L870-W899 HydrophobicContact CD1-CZ2 4.06Å; L870-W899 HydrophobicContact CD1-CZ3 4.09Å; L870-W899 HydrophobicContact CD2-CH2 3.89Å; L870-W899 HydrophobicContact CD2-CZ2 4.19Å; L870-W899 HydrophobicContact CD2-CZ3 4.07Å; L870-F935 HydrophobicContact CB-CE2 4.26Å; L870-F935 HydrophobicContact CB-CZ 4.07Å; L870-F935 HydrophobicContact CD1-CZ 4.27Å |
| 871 | D | 89.3 | Confident | 86.8 | Confident | 29 Ų | 29 | 54.4 Ų | 54.4 | 16% | 0.155 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60 | -47.4 | 177.9 | -179.5 | 73.3 | 0 | 0 | 0 | 111.7 | L867 Y869 L873 V874 H875 Y932 | L867-D871 PolarHBondContact O-N 2.85Å; Y869-D871 PolarHBondContact O-N 3.14Å; D871-L873 PolarHBondContact O-N 3.35Å; D871-V874 PolarHBondContact O-N 3.1Å; D871-H875 VanDerWaalsContact CG-ND1 3.34Å; D871-H875 WeakPolarHBondContact O-CB 3.33Å; D871-H875 PolarHBondContact O-N 2.86Å; D871-H875 PolarHBondContact O-ND1 3.18Å; D871-H875 IonicContact OD1-CE1 2.72Å; D871-H875 PolarHBondContact OD1-CE1 2.82Å; D871-H875 IonicContact OD1-ND1 2.67Å; D871-H875 PolarHBondContact OD1-ND1 2.96Å; D871-H875 IonicContact OD2-CE1 3.14Å; D871-H875 IonicContact OD2-ND1 2.79Å; D871-H875 PolarHBondContact OD2-ND1 3.46Å; D871-Y932 HydrophobicContact CB-CD1 4Å; D871-Y932 HydrophobicContact CB-CE1 4.04Å |
| 872 | N | 90.3 | Very high | 87 | Confident | 55 Ų | 55 | 56.2 Ų | 56.2 | 29% | 0.294 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.6 | -38.3 | 176.8 | -83.3 | -88 | 0 | 0 | 0 | 112.4 | A868 Y869 L870 H875 S876 | A868-N872 PolarHBondContact O-N 3.29Å; A868-N872 PolarHBondContact O-ND2 3.05Å; Y869-N872 PolarHBondContact O-N 3.15Å; L870-N872 PolarHBondContact O-N 3.07Å; N872-H875 PolarHBondContact O-N 3.15Å; N872-S876 WeakPolarHBondContact O-CB 3.46Å; N872-S876 PolarHBondContact O-N 2.58Å |
| 873 | L | 90.9 | Very high | 87 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.4 | -42.9 | 177.4 | -179 | 65.5 | 0 | 0 | 0 | 111.1 | Y849 P854 Y869 L870 D871 S876 F885 L889 | Y849-L873 HydrophobicContact CD1-CD1 4.35Å; Y849-L873 HydrophobicContact CD2-CD1 4.17Å; Y849-L873 HydrophobicContact CD2-CD2 4.2Å; Y849-L873 HydrophobicContact CG-CD1 3.82Å; P854-L873 HydrophobicContact CG-CD2 4.12Å; Y869-L873 HydrophobicContact CE1-CD2 3.84Å; Y869-L873 WeakPolarHBondContact O-CB 3.21Å; Y869-L873 PolarHBondContact O-N 3.42Å; L870-L873 PolarHBondContact O-N 3.34Å; D871-L873 PolarHBondContact O-N 3.35Å; L873-S876 PolarHBondContact O-OG 3.41Å; L873-F885 HydrophobicContact CD1-CE1 4.39Å; L873-F885 HydrophobicContact CD1-CZ 4.27Å; L873-F885 HydrophobicContact CG-CE1 3.98Å; L873-F885 HydrophobicContact CG-CZ 4.15Å; L873-L889 HydrophobicContact CD2-CD1 3.82Å; L873-L889 HydrophobicContact CG-CD1 4.49Å |
| 874 | V | 89.8 | Confident | 87.3 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -69.4 | -46.9 | 174.7 | 174.6 | 0 | 0 | 0 | 0 | 111.1 | L870 D871 S876 R877 R882 L886 F935 L938 | L870-V874 WeakPolarHBondContact O-CG2 3.47Å; L870-V874 PolarHBondContact O-N 2.94Å; D871-V874 PolarHBondContact O-N 3.1Å; V874-S876 PolarHBondContact O-N 3.37Å; V874-R877 WeakPolarHBondContact O-CB 3.45Å; V874-R877 PolarHBondContact O-N 3.02Å; V874-R882 HydrophobicContact CG1-CB 4.02Å; V874-R882 HydrophobicContact CG1-CG 4.16Å; V874-L886 HydrophobicContact CG2-CB 4.26Å; V874-L886 HydrophobicContact CG2-CD1 4.02Å; V874-F935 HydrophobicContact CG2-CE2 4.14Å; V874-L938 HydrophobicContact CG1-CD1 3.84Å |
| 875 | H | 86.6 | Confident | 87.7 | Confident | 40 Ų | 40 | 48.5 Ų | 48.5 | 19% | 0.185 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.1 | -23.8 | -179.6 | -79.8 | 104 | 0 | 0 | 0 | 113.7 | D871 N872 R877 R882 | D871-H875 VanDerWaalsContact CG-ND1 3.34Å; D871-H875 WeakPolarHBondContact O-CB 3.33Å; D871-H875 PolarHBondContact O-N 2.86Å; D871-H875 PolarHBondContact O-ND1 3.18Å; D871-H875 IonicContact OD1-CE1 2.72Å; D871-H875 PolarHBondContact OD1-CE1 2.82Å; D871-H875 IonicContact OD1-ND1 2.67Å; D871-H875 PolarHBondContact OD1-ND1 2.96Å; D871-H875 IonicContact OD2-CE1 3.14Å; D871-H875 IonicContact OD2-ND1 2.79Å; D871-H875 PolarHBondContact OD2-ND1 3.46Å; N872-H875 PolarHBondContact O-N 3.15Å; H875-R877 PolarHBondContact O-N 2.82Å; H875-R877 VanDerWaalsContact O-N 3.16Å; H875-R882 PolarHBondContact O-NH2 3.35Å |
| 876 | S | 85.1 | Confident | 87.9 | Confident | 54 Ų | 54 | 46.6 Ų | 46.6 | 38% | 0.378 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -18 | 171.2 | 81.5 | 0 | 0 | 0 | 0 | 114.1 | N872 L873 V874 | N872-S876 WeakPolarHBondContact O-CB 3.46Å; N872-S876 PolarHBondContact O-N 2.58Å; L873-S876 PolarHBondContact O-OG 3.41Å; V874-S876 PolarHBondContact O-N 3.37Å |
| 877 | R | 86.6 | Confident | 87.8 | Confident | 92 Ų | 92 | 50.9 Ų | 50.9 | 35% | 0.347 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -89.9 | 148.3 | 174.5 | -53.5 | -50.5 | -169.3 | -178.5 | -0.2 | 111.4 | V874 H875 R882 F885 | V874-R877 WeakPolarHBondContact O-CB 3.45Å; V874-R877 PolarHBondContact O-N 3.02Å; H875-R877 PolarHBondContact O-N 2.82Å; H875-R877 VanDerWaalsContact O-N 3.16Å; R877-R882 HydrophobicContact CB-CG 4.28Å; R877-R882 PolarHBondContact O-NE 3.46Å; R877-R882 PolarHBondContact O-NH2 2.71Å; R877-F885 HydrophobicContact CG-CB 4.21Å; R877-F885 HydrophobicContact CG-CD1 3.32Å; R877-F885 HydrophobicContact CG-CE1 3.75Å; R877-F885 HydrophobicContact CG-CG 3.82Å |
| 878 | A | 83 | Confident | 87.8 | Confident | 56 Ų | 56 | 54 Ų | 54 | 46% | 0.463 | 28% | 0.281 | S | S | . | . | trans | -56.5 | 144 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | E880 H881 R882 | A878-E880 VanDerWaalsContact C-N 3.33Å; A878-E880 PolarHBondContact O-N 3.43Å; A878-H881 PolarHBondContact O-N 3.01Å; A878-R882 PolarHBondContact O-N 3.49Å | ||
| 879 | E | 80.4 | Confident | 87.7 | Confident | 157 Ų | 157 | 54.9 Ų | 54.9 | 73% | 0.734 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -55.4 | -43.8 | -168.8 | -169.7 | 165.3 | -162 | 0 | 0 | 113.4 | H881 R882 | E879-H881 PolarHBondContact O-N 2.95Å; E879-R882 PolarHBondContact O-N 3.33Å; E879-R882 VanDerWaalsContact O-N 3.15Å |
| 880 | E | 83.1 | Confident | 87.3 | Confident | 174 Ų | 174 | 55.1 Ų | 55.1 | 81% | 0.813 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -53.7 | -18.7 | 174.2 | -62.7 | 176.5 | -159.3 | 0 | 0 | 114.8 | A878 | A878-E880 VanDerWaalsContact C-N 3.33Å; A878-E880 PolarHBondContact O-N 3.43Å |
| 881 | H | 85.9 | Confident | 86.6 | Confident | 110 Ų | 110 | 63 Ų | 63 | 51% | 0.509 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -116.7 | -3.7 | -175 | -61.4 | -15.2 | 0 | 0 | 0 | 113.4 | A878 E879 S884 F885 | A878-H881 PolarHBondContact O-N 3.01Å; E879-H881 PolarHBondContact O-N 2.95Å; H881-S884 PolarHBondContact O-OG 3.27Å; H881-F885 WeakPolarHBondContact O-CB 3.28Å; H881-F885 PolarHBondContact O-N 3.03Å |
| 882 | R | 89.8 | Confident | 86.1 | Confident | 52 Ų | 52 | 65.6 Ų | 65.6 | 20% | 0.196 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.5 | -46.8 | -176 | -72 | -178.1 | -178.9 | 156 | -4.6 | 112.7 | V874 H875 R877 A878 E879 F885 L886 L938 | V874-R882 HydrophobicContact CG1-CB 4.02Å; V874-R882 HydrophobicContact CG1-CG 4.16Å; H875-R882 PolarHBondContact O-NH2 3.35Å; R877-R882 HydrophobicContact CB-CG 4.28Å; R877-R882 PolarHBondContact O-NE 3.46Å; R877-R882 PolarHBondContact O-NH2 2.71Å; A878-R882 PolarHBondContact O-N 3.49Å; E879-R882 PolarHBondContact O-N 3.33Å; E879-R882 VanDerWaalsContact O-N 3.15Å; R882-F885 PolarHBondContact O-N 2.99Å; R882-L886 VanDerWaalsContact O-CB 3.31Å; R882-L886 WeakPolarHBondContact O-CB 3.04Å; R882-L886 PolarHBondContact O-N 3.38Å; R882-L938 HydrophobicContact CB-CD1 4.26Å; R882-L938 HydrophobicContact CB-CD2 4.37Å |
| 883 | L | 87.5 | Confident | 85.4 | Confident | 69 Ų | 69 | 68.6 Ų | 68.6 | 36% | 0.361 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.1 | -49.2 | 178.8 | -71.4 | 170.4 | 0 | 0 | 0 | 112 | F885 L886 Q887 L938 R941 L942 | L883-F885 VanDerWaalsContact C-N 3.3Å; L883-F885 PolarHBondContact O-N 3.21Å; L883-L886 PolarHBondContact O-N 3.39Å; L883-Q887 WeakPolarHBondContact O-CB 3.49Å; L883-Q887 PolarHBondContact O-N 2.81Å; L883-L938 HydrophobicContact CD2-CB 4.27Å; L883-L938 HydrophobicContact CD2-CD2 3.62Å; L883-L938 WeakPolarHBondContact CD2-O 3.42Å; L883-L938 HydrophobicContact CG-CD2 3.9Å; L883-R941 HydrophobicContact CD2-CB 4.04Å; L883-L942 HydrophobicContact CB-CD2 4.49Å; L883-L942 HydrophobicContact CD2-CD2 4.11Å |
| 884 | S | 88.1 | Confident | 84.8 | Confident | 67 Ų | 67 | 71.5 Ų | 71.5 | 47% | 0.469 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.8 | -34 | 178 | 48.1 | 0 | 0 | 0 | 0 | 113.1 | H881 S888 | H881-S884 PolarHBondContact O-OG 3.27Å; S884-S888 PolarHBondContact O-N 2.8Å |
| 885 | F | 90 | Very high | 84.5 | Confident | 20 Ų | 20 | 73 Ų | 73 | 9% | 0.088 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -74.5 | -45.7 | 177.4 | 179.2 | -120.5 | 0 | 0 | 0 | 111.5 | Y849 L873 R877 H881 R882 L883 Q887 S888 L889 | Y849-F885 HydrophobicContact CD1-CZ 4.26Å; Y849-F885 AromaticContact CE1-CE2 3.69Å; Y849-F885 HydrophobicContact CE1-CE2 3.69Å; Y849-F885 AromaticContact CE1-CZ 3.78Å; Y849-F885 HydrophobicContact CE1-CZ 3.78Å; Y849-F885 AromaticContact CZ-CE2 3.78Å; Y849-F885 AromaticContact CZ-CZ 3.92Å; L873-F885 HydrophobicContact CD1-CE1 4.39Å; L873-F885 HydrophobicContact CD1-CZ 4.27Å; L873-F885 HydrophobicContact CG-CE1 3.98Å; L873-F885 HydrophobicContact CG-CZ 4.15Å; R877-F885 HydrophobicContact CG-CB 4.21Å; R877-F885 HydrophobicContact CG-CD1 3.32Å; R877-F885 HydrophobicContact CG-CE1 3.75Å; R877-F885 HydrophobicContact CG-CG 3.82Å; H881-F885 WeakPolarHBondContact O-CB 3.28Å; H881-F885 PolarHBondContact O-N 3.03Å; R882-F885 PolarHBondContact O-N 2.99Å; L883-F885 VanDerWaalsContact C-N 3.3Å; L883-F885 PolarHBondContact O-N 3.21Å; F885-Q887 VanDerWaalsContact C-N 3.28Å; F885-Q887 PolarHBondContact O-N 3.41Å; F885-S888 WeakPolarHBondContact O-CA 3.41Å; F885-S888 PolarHBondContact O-N 3.09Å; F885-S888 PolarHBondContact O-OG 3.48Å; F885-L889 HydrophobicContact CE1-CD1 4.05Å; F885-L889 HydrophobicContact CE2-CD2 4.2Å; F885-L889 HydrophobicContact CZ-CD1 4.11Å; F885-L889 HydrophobicContact CZ-CD2 4.25Å; F885-L889 HydrophobicContact CZ-CG 4.45Å; F885-L889 PolarHBondContact O-N 3.05Å |
| 886 | L | 90.3 | Very high | 84.6 | Confident | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -58.9 | -40.1 | 174 | 178.3 | 57.5 | 0 | 0 | 0 | 111.4 | V874 R882 L883 S888 L889 L890 W899 F935 L938 L939 L942 | V874-L886 HydrophobicContact CG2-CB 4.26Å; V874-L886 HydrophobicContact CG2-CD1 4.02Å; R882-L886 VanDerWaalsContact O-CB 3.31Å; R882-L886 WeakPolarHBondContact O-CB 3.04Å; R882-L886 PolarHBondContact O-N 3.38Å; L883-L886 PolarHBondContact O-N 3.39Å; L886-S888 VanDerWaalsContact C-N 3.28Å; L886-S888 PolarHBondContact O-N 3.04Å; L886-L889 PolarHBondContact O-N 3.43Å; L886-L890 HydrophobicContact CD1-CD1 4.25Å; L886-L890 HydrophobicContact CG-CD1 4.14Å; L886-L890 WeakPolarHBondContact O-CG 3.49Å; L886-L890 PolarHBondContact O-N 3.17Å; L886-W899 HydrophobicContact CD1-CE3 4.37Å; L886-W899 HydrophobicContact CD1-CZ3 4.04Å; L886-F935 HydrophobicContact CD1-CE2 4.01Å; L886-F935 HydrophobicContact CD1-CZ 4.42Å; L886-F935 HydrophobicContact CD2-CE2 4.44Å; L886-L938 HydrophobicContact CD2-CB 3.95Å; L886-L939 HydrophobicContact CD1-CD2 4.35Å; L886-L939 HydrophobicContact CD2-CD2 4.03Å; L886-L939 HydrophobicContact CD2-CG 4.28Å; L886-L939 HydrophobicContact CG-CD2 4.49Å; L886-L942 HydrophobicContact CD2-CD1 4.18Å; L886-L942 HydrophobicContact CG-CD1 4.13Å |
| 887 | Q | 88.6 | Confident | 84.7 | Confident | 91 Ų | 91 | 71 Ų | 71 | 43% | 0.425 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -58 | -39.6 | 173 | -168.5 | 175.7 | 2.6 | 0 | 0 | 112.3 | L883 F885 L889 L890 L942 | L883-Q887 WeakPolarHBondContact O-CB 3.49Å; L883-Q887 PolarHBondContact O-N 2.81Å; F885-Q887 VanDerWaalsContact C-N 3.28Å; F885-Q887 PolarHBondContact O-N 3.41Å; Q887-L889 PolarHBondContact O-N 3.09Å; Q887-L890 PolarHBondContact O-N 3.15Å; Q887-L942 HydrophobicContact CB-CD2 4.1Å |
| 888 | S | 88.1 | Confident | 84.7 | Confident | 67 Ų | 67 | 70.5 Ų | 70.5 | 47% | 0.469 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -3.1 | 176.8 | 69.2 | 0 | 0 | 0 | 0 | 115.4 | S884 F885 L886 | S884-S888 PolarHBondContact O-N 2.8Å; F885-S888 WeakPolarHBondContact O-CA 3.41Å; F885-S888 PolarHBondContact O-N 3.09Å; F885-S888 PolarHBondContact O-OG 3.48Å; L886-S888 VanDerWaalsContact C-N 3.28Å; L886-S888 PolarHBondContact O-N 3.04Å |
| 889 | L | 85.9 | Confident | 85.1 | Confident | 18 Ų | 18 | 68.4 Ų | 68.4 | 9% | 0.094 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | -7.5 | 172.1 | -57.7 | -179 | 0 | 0 | 0 | 112.6 | Y849 P854 L873 F885 L886 Q887 E891 W899 | Y849-L889 HydrophobicContact CE2-CD2 3.98Å; P854-L889 HydrophobicContact CG-CD2 4.15Å; L873-L889 HydrophobicContact CD2-CD1 3.82Å; L873-L889 HydrophobicContact CG-CD1 4.49Å; F885-L889 HydrophobicContact CE1-CD1 4.05Å; F885-L889 HydrophobicContact CE2-CD2 4.2Å; F885-L889 HydrophobicContact CZ-CD1 4.11Å; F885-L889 HydrophobicContact CZ-CD2 4.25Å; F885-L889 HydrophobicContact CZ-CG 4.45Å; F885-L889 PolarHBondContact O-N 3.05Å; L886-L889 PolarHBondContact O-N 3.43Å; Q887-L889 PolarHBondContact O-N 3.09Å; L889-E891 PolarHBondContact O-N 2.89Å; L889-W899 HydrophobicContact CB-CH2 4.05Å; L889-W899 HydrophobicContact CB-CZ3 4.26Å; L889-W899 WeakPolarHBondContact O-CH2 3.32Å |
| 890 | L | 83.3 | Confident | 85.6 | Confident | 5 Ų | 5 | 60.9 Ų | 60.9 | 3% | 0.026 | 32% | 0.316 | C | S | . | . | trans | -102 | 48.9 | -173.4 | -71.6 | 167.7 | 0 | 0 | 0 | 112 | L886 Q887 P892 E893 L895 R896 W899 L939 L942 | L886-L890 HydrophobicContact CD1-CD1 4.25Å; L886-L890 HydrophobicContact CG-CD1 4.14Å; L886-L890 WeakPolarHBondContact O-CG 3.49Å; L886-L890 PolarHBondContact O-N 3.17Å; Q887-L890 PolarHBondContact O-N 3.15Å; L890-P892 CarbonylContact C-O 3.6Å; L890-P892 CarbonylContact O-C 3.56Å; L890-E893 WeakPolarHBondContact O-CA 3.26Å; L890-E893 PolarHBondContact O-N 3.43Å; L890-L895 HydrophobicContact CD2-CB 3.94Å; L890-R896 HydrophobicContact CD1-CB 4.27Å; L890-R896 HydrophobicContact CD1-CG 4.03Å; L890-R896 HydrophobicContact CD2-CB 3.99Å; L890-R896 HydrophobicContact CD2-CG 4.48Å; L890-W899 HydrophobicContact CD2-CD2 4.08Å; L890-W899 HydrophobicContact CD2-CE3 3.49Å; L890-W899 VanDerWaalsContact CD2-CE3 3.49Å; L890-W899 HydrophobicContact CD2-CH2 4.08Å; L890-W899 HydrophobicContact CD2-CZ3 3.5Å; L890-W899 VanDerWaalsContact CD2-CZ3 3.5Å; L890-W899 HydrophobicContact CG-CE3 4.36Å; L890-W899 HydrophobicContact CG-CZ3 4Å; L890-L939 HydrophobicContact CD1-CD2 4.27Å; L890-L942 HydrophobicContact CD1-CD1 3.31Å | ||
| 891 | E | 75.8 | Confident | 85.9 | Confident | 167 Ų | 167 | 57.5 Ų | 57.5 | 78% | 0.78 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -111.3 | 110.3 | 169.9 | -66 | -173.1 | 176.9 | 0 | 0 | 108.4 | L889 | L889-E891 PolarHBondContact O-N 2.89Š|
| 892 | P | 78.3 | Confident | 86.1 | Confident | 83 Ų | 83 | 53.8 Ų | 53.8 | 54% | 0.539 | 28% | 0.284 | S | S | . | . | S | Bend | cis | -76.7 | 159.2 | 0.8 | 33.1 | -37.1 | 0 | 0 | 0 | 114.3 | L890 S894 L895 | L890-P892 CarbonylContact C-O 3.6Å; L890-P892 CarbonylContact O-C 3.56Å; P892-S894 PolarHBondContact O-N 2.94Å; P892-S894 VanDerWaalsContact O-N 3.07Å; P892-L895 HydrophobicContact CG-CG 4.38Å; P892-L895 WeakPolarHBondContact O-CB 3.37Å; P892-L895 WeakPolarHBondContact O-CG 3.41Å; P892-L895 PolarHBondContact O-N 3.17Å |
| 893 | E | 76.1 | Confident | 86.1 | Confident | 117 Ų | 117 | 51.3 Ų | 51.3 | 55% | 0.547 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -18.8 | -176.9 | -64.5 | -163.7 | 110.3 | 0 | 0 | 114.6 | L890 L895 R896 | L890-E893 WeakPolarHBondContact O-CA 3.26Å; L890-E893 PolarHBondContact O-N 3.43Å; E893-L895 PolarHBondContact O-N 3.47Å; E893-R896 VanDerWaalsContact O-CB 3.24Å; E893-R896 WeakPolarHBondContact O-CB 3.38Å; E893-R896 PolarHBondContact O-N 3.17Å; E893-R896 VanDerWaalsContact O-N 3.11Å; E893-R896 IonicContact OE1-NH2 2.71Å; E893-R896 PolarHBondContact OE1-NH2 3.5Å |
| 894 | S | 79.1 | Confident | 86.2 | Confident | 63 Ų | 63 | 48.1 Ų | 48.1 | 44% | 0.441 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -33.8 | 176.3 | 54.8 | 0 | 0 | 0 | 0 | 112.7 | P892 R896 Q897 D898 | P892-S894 PolarHBondContact O-N 2.94Å; P892-S894 VanDerWaalsContact O-N 3.07Å; S894-R896 PolarHBondContact O-N 3.07Å; S894-Q897 PolarHBondContact O-N 2.95Å; S894-D898 PolarHBondContact O-N 3.07Å |
| 895 | L | 83.8 | Confident | 86.2 | Confident | 31 Ų | 31 | 48.8 Ų | 48.8 | 16% | 0.162 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -53.9 | -23.7 | 176.4 | -65.7 | 175.2 | 0 | 0 | 0 | 112.8 | L890 P892 E893 Q897 D898 W899 | L890-L895 HydrophobicContact CD2-CB 3.94Å; P892-L895 HydrophobicContact CG-CG 4.38Å; P892-L895 WeakPolarHBondContact O-CB 3.37Å; P892-L895 WeakPolarHBondContact O-CG 3.41Å; P892-L895 PolarHBondContact O-N 3.17Å; E893-L895 PolarHBondContact O-N 3.47Å; L895-Q897 VanDerWaalsContact C-N 3.33Å; L895-Q897 PolarHBondContact O-N 2.94Å; L895-D898 WeakPolarHBondContact CA-OD2 3.43Å; L895-D898 PolarHBondContact O-N 3.36Å; L895-W899 HydrophobicContact CB-CZ2 4.31Å; L895-W899 HydrophobicContact CD1-CZ2 4.17Å; L895-W899 VanDerWaalsContact O-CB 3.28Å; L895-W899 WeakPolarHBondContact O-CB 3.24Å; L895-W899 VanDerWaalsContact O-CD1 3.29Å; L895-W899 PolarHBondContact O-N 3.38Å |
| 896 | R | 88.2 | Confident | 86 | Confident | 11 Ų | 11 | 50.4 Ų | 50.4 | 4% | 0.042 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.1 | -32.3 | 177.4 | -161 | -173.9 | -46.6 | -175.4 | 10.2 | 112.7 | L890 E893 S894 L900 L939 P943 | L890-R896 HydrophobicContact CD1-CB 4.27Å; L890-R896 HydrophobicContact CD1-CG 4.03Å; L890-R896 HydrophobicContact CD2-CB 3.99Å; L890-R896 HydrophobicContact CD2-CG 4.48Å; E893-R896 VanDerWaalsContact O-CB 3.24Å; E893-R896 WeakPolarHBondContact O-CB 3.38Å; E893-R896 PolarHBondContact O-N 3.17Å; E893-R896 VanDerWaalsContact O-N 3.11Å; E893-R896 IonicContact OE1-NH2 2.71Å; E893-R896 PolarHBondContact OE1-NH2 3.5Å; S894-R896 PolarHBondContact O-N 3.07Å; R896-L900 WeakPolarHBondContact O-CB 3.32Å; R896-L900 PolarHBondContact O-N 3.23Å; R896-L939 HydrophobicContact CG-CD2 4.07Å; R896-P943 PolarHBondContact NH1-O 3.04Å |
| 897 | Q | 87.4 | Confident | 85.7 | Confident | 41 Ų | 41 | 54.6 Ų | 54.6 | 19% | 0.192 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -75.5 | -47.9 | 176.2 | -68.8 | 169.8 | 30.3 | 0 | 0 | 108.6 | S894 L895 W899 L900 E901 S948 K951 M955 | S894-Q897 PolarHBondContact O-N 2.95Å; L895-Q897 VanDerWaalsContact C-N 3.33Å; L895-Q897 PolarHBondContact O-N 2.94Å; Q897-W899 PolarHBondContact O-N 3.18Å; Q897-L900 PolarHBondContact O-N 2.87Å; Q897-L900 VanDerWaalsContact O-N 3.16Å; Q897-E901 PolarHBondContact O-N 3.41Å; Q897-S948 PolarHBondContact NE2-OG 3.12Å; Q897-K951 VanDerWaalsContact OE1-NZ 3.17Å; Q897-M955 HydrophobicContact CB-CE 4.22Å; Q897-M955 HydrophobicContact CG-CE 4.17Å |
| 898 | D | 86.6 | Confident | 85.6 | Confident | 82 Ų | 82 | 52 Ų | 52 | 44% | 0.439 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -57.2 | -46.2 | 177.4 | -48.5 | -32.8 | 0 | 0 | 0 | 112.6 | S894 L895 L902 | S894-D898 PolarHBondContact O-N 3.07Å; L895-D898 WeakPolarHBondContact CA-OD2 3.43Å; L895-D898 PolarHBondContact O-N 3.36Å; D898-L902 VanDerWaalsContact O-CB 3.27Å; D898-L902 WeakPolarHBondContact O-CB 3.46Å; D898-L902 PolarHBondContact O-N 2.92Å |
| 899 | W | 90.2 | Very high | 85.7 | Confident | 11 Ų | 11 | 50.1 Ų | 50.1 | 4% | 0.042 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -74 | -26.6 | 179.7 | -63.1 | 1.5 | 0 | 0 | 0 | 112.9 | F866 L870 L886 L889 L890 L895 Q897 A903 F935 L939 | F866-W899 AromaticContact CE1-NE1 3.84Å; F866-W899 HydrophobicContact CZ-CZ2 4.31Å; L870-W899 HydrophobicContact CD1-CD2 3.53Å; L870-W899 HydrophobicContact CD1-CE3 3.73Å; L870-W899 HydrophobicContact CD1-CG 4.01Å; L870-W899 HydrophobicContact CD1-CH2 4.25Å; L870-W899 HydrophobicContact CD1-CZ2 4.06Å; L870-W899 HydrophobicContact CD1-CZ3 4.09Å; L870-W899 HydrophobicContact CD2-CH2 3.89Å; L870-W899 HydrophobicContact CD2-CZ2 4.19Å; L870-W899 HydrophobicContact CD2-CZ3 4.07Å; L886-W899 HydrophobicContact CD1-CE3 4.37Å; L886-W899 HydrophobicContact CD1-CZ3 4.04Å; L889-W899 HydrophobicContact CB-CH2 4.05Å; L889-W899 HydrophobicContact CB-CZ3 4.26Å; L889-W899 WeakPolarHBondContact O-CH2 3.32Å; L890-W899 HydrophobicContact CD2-CD2 4.08Å; L890-W899 HydrophobicContact CD2-CE3 3.49Å; L890-W899 VanDerWaalsContact CD2-CE3 3.49Å; L890-W899 HydrophobicContact CD2-CH2 4.08Å; L890-W899 HydrophobicContact CD2-CZ3 3.5Å; L890-W899 VanDerWaalsContact CD2-CZ3 3.5Å; L890-W899 HydrophobicContact CG-CE3 4.36Å; L890-W899 HydrophobicContact CG-CZ3 4Å; L895-W899 HydrophobicContact CB-CZ2 4.31Å; L895-W899 HydrophobicContact CD1-CZ2 4.17Å; L895-W899 VanDerWaalsContact O-CB 3.28Å; L895-W899 WeakPolarHBondContact O-CB 3.24Å; L895-W899 VanDerWaalsContact O-CD1 3.29Å; L895-W899 PolarHBondContact O-N 3.38Å; Q897-W899 PolarHBondContact O-N 3.18Å; W899-A903 VanDerWaalsContact O-CB 3.28Å; W899-A903 WeakPolarHBondContact O-CB 3.42Å; W899-A903 PolarHBondContact O-N 3.35Å; W899-A903 VanDerWaalsContact O-N 3.12Å; W899-F935 HydrophobicContact CE3-CZ 4.24Å; W899-L939 HydrophobicContact CB-CD1 4.44Å |
| 900 | L | 91.2 | Very high | 85.6 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -73.2 | -46.3 | 174.1 | -175.7 | 69.6 | 0 | 0 | 0 | 110.7 | R896 Q897 L902 A903 L904 L936 L939 I940 M952 M955 | R896-L900 WeakPolarHBondContact O-CB 3.32Å; R896-L900 PolarHBondContact O-N 3.23Å; Q897-L900 PolarHBondContact O-N 2.87Å; Q897-L900 VanDerWaalsContact O-N 3.16Å; L900-L902 VanDerWaalsContact C-N 3.34Å; L900-L902 PolarHBondContact O-N 3.22Å; L900-A903 CarbonylContact O-C 3.6Å; L900-A903 PolarHBondContact O-N 3.38Å; L900-L904 HydrophobicContact CD1-CD1 4.39Å; L900-L904 HydrophobicContact CD1-CG 4.49Å; L900-L904 HydrophobicContact CG-CD1 3.95Å; L900-L904 HydrophobicContact CG-CG 4.41Å; L900-L904 WeakPolarHBondContact O-CB 3.26Å; L900-L904 VanDerWaalsContact O-CG 3.27Å; L900-L904 WeakPolarHBondContact O-CG 3.16Å; L900-L904 PolarHBondContact O-N 3.32Å; L900-L936 HydrophobicContact CD1-CD2 3.62Å; L900-L939 HydrophobicContact CB-CD1 4.25Å; L900-L939 HydrophobicContact CD1-CB 4.32Å; L900-L939 HydrophobicContact CD1-CD1 4.15Å; L900-I940 HydrophobicContact CD1-CD1 4.33Å; L900-I940 HydrophobicContact CD1-CG1 4.09Å; L900-M952 HydrophobicContact CD2-CB 3.83Å; L900-M952 HydrophobicContact CD2-CG 3.54Å; L900-M952 HydrophobicContact CD2-SD 4.06Å; L900-M955 HydrophobicContact CD2-CE 4.18Å |
| 901 | E | 90.3 | Very high | 85.7 | Confident | 102 Ų | 102 | 61.1 Ų | 61.1 | 48% | 0.477 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.7 | -43.1 | 175.7 | -173.1 | 177.9 | -179.7 | 0 | 0 | 111.4 | Q897 A903 L904 T905 M955 | Q897-E901 PolarHBondContact O-N 3.41Å; E901-A903 VanDerWaalsContact C-N 3.33Å; E901-A903 PolarHBondContact O-N 3.49Å; E901-L904 PolarHBondContact O-N 3.44Å; E901-T905 WeakPolarHBondContact O-CG2 3.42Å; E901-T905 PolarHBondContact O-N 3.37Å; E901-T905 VanDerWaalsContact O-N 3.09Å; E901-T905 PolarHBondContact O-OG1 3.08Å; E901-M955 HydrophobicContact CB-SD 4.37Å |
| 902 | L | 88.9 | Confident | 86.1 | Confident | 32 Ų | 32 | 55.6 Ų | 55.6 | 17% | 0.168 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.2 | -40.1 | 174.4 | -175.9 | 63.3 | 0 | 0 | 0 | 112.5 | R863 L867 D898 L900 T905 H906 | R863-L902 HydrophobicContact CB-CD1 4.17Å; L867-L902 HydrophobicContact CB-CD2 4.09Å; L867-L902 HydrophobicContact CB-CG 4.34Å; L867-L902 HydrophobicContact CD2-CG 4.28Å; D898-L902 VanDerWaalsContact O-CB 3.27Å; D898-L902 WeakPolarHBondContact O-CB 3.46Å; D898-L902 PolarHBondContact O-N 2.92Å; L900-L902 VanDerWaalsContact C-N 3.34Å; L900-L902 PolarHBondContact O-N 3.22Å; L902-T905 WeakPolarHBondContact CA-OG1 3.38Å; L902-T905 PolarHBondContact O-N 2.61Å; L902-T905 PolarHBondContact O-OG1 3.28Å; L902-T905 VanDerWaalsContact O-OG1 3.11Å; L902-H906 WeakPolarHBondContact O-CB 3.34Å; L902-H906 PolarHBondContact O-N 3.26Å |
| 903 | A | 90.6 | Very high | 86.5 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.008 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -80.7 | -16 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | L867 W899 L900 E901 F935 L936 | L867-A903 HydrophobicContact CD1-CB 4.08Å; L867-A903 HydrophobicContact CD2-CB 3.92Å; W899-A903 VanDerWaalsContact O-CB 3.28Å; W899-A903 WeakPolarHBondContact O-CB 3.42Å; W899-A903 PolarHBondContact O-N 3.35Å; W899-A903 VanDerWaalsContact O-N 3.12Å; L900-A903 CarbonylContact O-C 3.6Å; L900-A903 PolarHBondContact O-N 3.38Å; E901-A903 VanDerWaalsContact C-N 3.33Å; E901-A903 PolarHBondContact O-N 3.49Å; A903-F935 HydrophobicContact CB-CD1 4.18Å; A903-L936 HydrophobicContact CB-CD2 3.47Å; A903-L936 VanDerWaalsContact CB-CD2 3.47Å; A903-L936 HydrophobicContact CB-CG 4.07Å |
| 904 | L | 89.9 | Confident | 87 | Confident | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -89.5 | -5.5 | 171.1 | -72.1 | 174.6 | 0 | 0 | 0 | 112.9 | L900 E901 W930 L936 M955 H959 Y961 | L900-L904 HydrophobicContact CD1-CD1 4.39Å; L900-L904 HydrophobicContact CD1-CG 4.49Å; L900-L904 HydrophobicContact CG-CD1 3.95Å; L900-L904 HydrophobicContact CG-CG 4.41Å; L900-L904 WeakPolarHBondContact O-CB 3.26Å; L900-L904 VanDerWaalsContact O-CG 3.27Å; L900-L904 WeakPolarHBondContact O-CG 3.16Å; L900-L904 PolarHBondContact O-N 3.32Å; E901-L904 PolarHBondContact O-N 3.44Å; L904-W930 HydrophobicContact CB-CZ3 4.48Å; L904-W930 HydrophobicContact CD2-CE3 4.28Å; L904-W930 HydrophobicContact CD2-CH2 4.22Å; L904-W930 HydrophobicContact CD2-CZ3 3.75Å; L904-L936 HydrophobicContact CD2-CD1 4.05Å; L904-L936 HydrophobicContact CD2-CD2 3.87Å; L904-L936 HydrophobicContact CG-CD2 3.9Å; L904-M955 HydrophobicContact CD1-CB 4.13Å; L904-H959 HydrophobicContact CB-CB 4.17Å; L904-H959 HydrophobicContact CD2-CB 4.43Å; L904-H959 PolarHBondContact O-ND1 3.11Å; L904-Y961 HydrophobicContact CD2-CD1 3.97Å; L904-Y961 HydrophobicContact CD2-CG 3.85Å |
| 905 | T | 88.1 | Confident | 87.4 | Confident | 80 Ų | 80 | 46.1 Ų | 46.1 | 49% | 0.491 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -114.4 | -34.8 | 178.3 | 47.3 | 0 | 0 | 0 | 0 | 113.2 | E901 L902 H959 | E901-T905 WeakPolarHBondContact O-CG2 3.42Å; E901-T905 PolarHBondContact O-N 3.37Å; E901-T905 VanDerWaalsContact O-N 3.09Å; E901-T905 PolarHBondContact O-OG1 3.08Å; L902-T905 WeakPolarHBondContact CA-OG1 3.38Å; L902-T905 PolarHBondContact O-N 2.61Å; L902-T905 PolarHBondContact O-OG1 3.28Å; L902-T905 VanDerWaalsContact O-OG1 3.11Å; T905-H959 VanDerWaalsContact CG2-CE1 3.49Å; T905-H959 WeakPolarHBondContact CG2-CE1 3.15Å |
| 906 | H | 85.6 | Confident | 87.5 | Confident | 55 Ų | 55 | 46.8 Ų | 46.8 | 26% | 0.255 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 133.1 | 177.6 | -151.4 | -78.3 | 0 | 0 | 0 | 112.3 | S864 L867 L902 A908 Y932 | S864-H906 VanDerWaalsContact CB-CD2 3.46Å; S864-H906 WeakPolarHBondContact CB-CD2 3.4Å; S864-H906 WeakPolarHBondContact CB-NE2 3.42Å; L867-H906 HydrophobicContact CD2-CB 4.1Å; L902-H906 WeakPolarHBondContact O-CB 3.34Å; L902-H906 PolarHBondContact O-N 3.26Å; H906-A908 PolarHBondContact O-N 3.28Å; H906-A908 VanDerWaalsContact O-N 3.15Å; H906-Y932 HydrophobicContact CB-CE2 4.35Å; H906-Y932 AromaticContact ND1-CE2 3.94Å |
| 907 | D | 83.8 | Confident | 87.1 | Confident | 87 Ų | 87 | 51.9 Ų | 51.9 | 47% | 0.465 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50 | 34.2 | -177.6 | -54.7 | -49.8 | 0 | 0 | 0 | 114.1 | G931 Y932 | D907-G931 PolarHBondContact O-N 3.18Å; D907-Y932 HydrophobicContact CB-CD2 4.36Å; D907-Y932 HydrophobicContact CB-CE2 4.11Å; D907-Y932 WeakPolarHBondContact OD2-CE2 3.5Å |
| 908 | A | 87.4 | Confident | 86.7 | Confident | 37 Ų | 37 | 55.8 Ų | 55.8 | 31% | 0.306 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -84.2 | 154.7 | 173 | 0 | 0 | 0 | 0 | 0 | 111.5 | H906 W930 | H906-A908 PolarHBondContact O-N 3.28Å; H906-A908 VanDerWaalsContact O-N 3.15Å; A908-W930 HydrophobicContact CB-CE3 3.86Å; A908-W930 HydrophobicContact CB-CH2 4.24Å; A908-W930 HydrophobicContact CB-CZ3 3.55Å |
| 909 | P | 88.4 | Confident | 86.3 | Confident | 28 Ų | 28 | 53.8 Ų | 53.8 | 18% | 0.182 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -57.8 | 163.8 | 166.5 | -21 | 33.3 | 0 | 0 | 0 | 111.9 | H911 T914 F928 W930 | P909-H911 PolarHBondContact O-N 2.9Å; P909-T914 HydrophobicContact CB-CG2 4.02Å; P909-T914 HydrophobicContact CG-CG2 4.31Å; P909-F928 HydrophobicContact CB-CB 4.22Å; P909-F928 HydrophobicContact CB-CG 4.41Å; P909-F928 HydrophobicContact CG-CB 3.76Å; P909-F928 HydrophobicContact CG-CG 4.47Å; P909-W930 HydrophobicContact CG-CD2 4.27Å; P909-W930 HydrophobicContact CG-CG 4.39Å; P909-W930 HydrophobicContact CG-CZ2 4.32Å |
| 910 | Q | 85.3 | Confident | 86.1 | Confident | 140 Ų | 140 | 59 Ų | 59 | 65% | 0.654 | 33% | 0.33 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 143.5 | 174.8 | -50.8 | -169.3 | 14 | 0 | 0 | 109.5 | A912 D913 T914 | Q910-A912 PolarHBondContact O-N 3.39Å; Q910-A912 VanDerWaalsContact O-N 3.16Å; Q910-D913 VanDerWaalsContact CB-OD2 3.26Å; Q910-D913 WeakPolarHBondContact CB-OD2 3.22Å; Q910-D913 WeakPolarHBondContact CG-OD2 3.26Å; Q910-D913 PolarHBondContact N-OD2 3.4Å; Q910-D913 WeakPolarHBondContact O-CA 3.42Å; Q910-D913 WeakPolarHBondContact O-CB 3.13Å; Q910-D913 PolarHBondContact O-N 3.41Å; Q910-T914 PolarHBondContact O-N 3.23Å |
| 911 | H | 85.4 | Confident | 86 | Confident | 113 Ų | 113 | 59.5 Ų | 59.5 | 52% | 0.523 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -57 | -34.3 | 177.9 | -163.9 | -97.9 | 0 | 0 | 0 | 111.9 | P909 D913 T914 L915 S958 | P909-H911 PolarHBondContact O-N 2.9Å; H911-D913 VanDerWaalsContact C-N 3.27Å; H911-D913 PolarHBondContact O-N 2.87Å; H911-T914 PolarHBondContact O-N 2.96Å; H911-T914 PolarHBondContact O-OG1 3.49Å; H911-L915 WeakPolarHBondContact NE2-CD1 3.48Å; H911-L915 PolarHBondContact O-N 3.46Å; H911-S958 PolarHBondContact NE2-O 3.08Å |
| 912 | A | 84.3 | Confident | 85.8 | Confident | 52 Ų | 52 | 59.9 Ų | 59.9 | 43% | 0.43 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -71.7 | -10.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q910 R922 | Q910-A912 PolarHBondContact O-N 3.39Å; Q910-A912 VanDerWaalsContact O-N 3.16Å; A912-R922 PolarHBondContact O-NE 3.24Å; A912-R922 PolarHBondContact O-NH1 2.74Å; A912-R922 PolarHBondContact O-NH2 3.49Å |
| 913 | D | 85.2 | Confident | 85.5 | Confident | 57 Ų | 57 | 64.5 Ų | 64.5 | 31% | 0.305 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -87.9 | -35 | 173 | -62.6 | -36.3 | 0 | 0 | 0 | 111.2 | Q910 H911 F928 | Q910-D913 VanDerWaalsContact CB-OD2 3.26Å; Q910-D913 WeakPolarHBondContact CB-OD2 3.22Å; Q910-D913 WeakPolarHBondContact CG-OD2 3.26Å; Q910-D913 PolarHBondContact N-OD2 3.4Å; Q910-D913 WeakPolarHBondContact O-CA 3.42Å; Q910-D913 WeakPolarHBondContact O-CB 3.13Å; Q910-D913 PolarHBondContact O-N 3.41Å; H911-D913 VanDerWaalsContact C-N 3.27Å; H911-D913 PolarHBondContact O-N 2.87Å; D913-F928 HydrophobicContact CB-CD2 4.37Å; D913-F928 HydrophobicContact CB-CE1 4.17Å; D913-F928 HydrophobicContact CB-CE2 3.85Å; D913-F928 HydrophobicContact CB-CZ 3.75Å; D913-F928 WeakPolarHBondContact O-CE2 3.28Å |
| 914 | T | 87.3 | Confident | 85.2 | Confident | 1 Ų | 1 | 66.7 Ų | 66.7 | 1% | 0.006 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -92.1 | -30.8 | -175.8 | 58.8 | 0 | 0 | 0 | 0 | 114.1 | P909 Q910 H911 R922 S925 W930 H959 W962 | P909-T914 HydrophobicContact CB-CG2 4.02Å; P909-T914 HydrophobicContact CG-CG2 4.31Å; Q910-T914 PolarHBondContact O-N 3.23Å; H911-T914 PolarHBondContact O-N 2.96Å; H911-T914 PolarHBondContact O-OG1 3.49Å; T914-R922 PolarHBondContact O-N 3.11Å; T914-R922 VanDerWaalsContact O-N 3.09Å; T914-S925 PolarHBondContact O-OG 3.45Å; T914-W930 HydrophobicContact CG2-CZ2 4.24Å; T914-H959 PolarHBondContact OG1-O 3.5Å; T914-W962 PolarHBondContact O-NE1 3.4Å; T914-W962 VanDerWaalsContact O-NE1 3.15Å |
| 915 | L | 88.5 | Confident | 85.2 | Confident | 5 Ų | 5 | 66.6 Ų | 66.6 | 3% | 0.026 | 35% | 0.353 | C | S | . | . | B | Isolated β-bridge | trans | -125.8 | 147.9 | -170.5 | -76.9 | 150.1 | 0 | 0 | 0 | 113.5 | H911 R920 R922 S958 W962 | H911-L915 WeakPolarHBondContact NE2-CD1 3.48Å; H911-L915 PolarHBondContact O-N 3.46Å; L915-R920 CarbonylContact C-O 3.55Å; L915-R920 WeakPolarHBondContact CA-O 3.07Å; L915-R922 PolarHBondContact O-NE 2.9Å; L915-R922 PolarHBondContact O-NH2 3.42Å; L915-S958 VanDerWaalsContact CD1-O 3.3Å; L915-S958 WeakPolarHBondContact CD1-O 3.23Å; L915-W962 HydrophobicContact CD2-CH2 3.77Å; L915-W962 HydrophobicContact CD2-CZ2 3.47Å; L915-W962 VanDerWaalsContact CD2-CZ2 3.47Å; L915-W962 HydrophobicContact CG-CZ2 3.92Å |
| 916 | T | 85.9 | Confident | 85.1 | Confident | 46 Ų | 46 | 64 Ų | 64 | 28% | 0.282 | 34% | 0.335 | S | S | . | . | trans | -79.2 | 168.7 | 166 | 68.4 | 0 | 0 | 0 | 0 | 110.9 | D918 G919 R920 R922 | T916-D918 PolarHBondContact O-N 2.88Å; T916-D918 PolarHBondContact OG1-N 3.16Å; T916-G919 PolarHBondContact O-N 2.85Å; T916-G919 VanDerWaalsContact O-N 3.12Å; T916-R920 HydrophobicContact CG2-CB 4.37Å; T916-R920 PolarHBondContact N-O 3.43Å; T916-R920 WeakPolarHBondContact OG1-CB 3.36Å; T916-R920 PolarHBondContact OG1-N 2.98Å; T916-R922 HydrophobicContact CG2-CG 4.02Å | ||
| 917 | S | 78.9 | Confident | 85.1 | Confident | 117 Ų | 117 | 64.4 Ų | 64.4 | 82% | 0.818 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | -25.9 | 170.1 | 48 | 0 | 0 | 0 | 0 | 113.9 | ||
| 918 | D | 78.9 | Confident | 85.3 | Confident | 124 Ų | 124 | 64.5 Ų | 64.5 | 66% | 0.663 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | 10.1 | -171.3 | -53.2 | 4.2 | 0 | 0 | 0 | 111.6 | T916 | T916-D918 PolarHBondContact O-N 2.88Å; T916-D918 PolarHBondContact OG1-N 3.16Å |
| 919 | G | 78.9 | Confident | 85.1 | Confident | 39 Ų | 39 | 69 Ų | 69 | 40% | 0.402 | 36% | 0.364 | S | S | . | . | S | Bend | trans | 73 | 24.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | T916 | T916-G919 PolarHBondContact O-N 2.85Å; T916-G919 VanDerWaalsContact O-N 3.12Å |
| 920 | R | 85.2 | Confident | 85.2 | Confident | 122 Ų | 122 | 68.9 Ų | 68.9 | 46% | 0.46 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -101.8 | 151.7 | 177.3 | -59.4 | -178.1 | -177.1 | -120.7 | 5.1 | 111.9 | L915 T916 E984 | L915-R920 CarbonylContact C-O 3.55Å; L915-R920 WeakPolarHBondContact CA-O 3.07Å; T916-R920 HydrophobicContact CG2-CB 4.37Å; T916-R920 PolarHBondContact N-O 3.43Å; T916-R920 WeakPolarHBondContact OG1-CB 3.36Å; T916-R920 PolarHBondContact OG1-N 2.98Å; R920-E984 IonicContact CZ-OE1 2.75Å; R920-E984 IonicContact NH1-OE1 3.82Å; R920-E984 PolarHBondContact NH1-OE1 3.2Å |
| 921 | P | 88.9 | Confident | 85.2 | Confident | 10 Ų | 10 | 64.9 Ų | 64.9 | 7% | 0.065 | 36% | 0.356 | C | S | . | . | B | Isolated β-bridge | trans | -52.7 | 140.2 | 168.3 | 24.3 | -37.1 | 0 | 0 | 0 | 112.4 | W962 T981 E984 L985 | P921-W962 HydrophobicContact CB-CD2 3.98Å; P921-W962 HydrophobicContact CB-CE3 4.41Å; P921-W962 HydrophobicContact CB-CH2 4.14Å; P921-W962 HydrophobicContact CB-CZ2 3.64Å; P921-W962 HydrophobicContact CB-CZ3 4.48Å; P921-W962 HydrophobicContact CG-CH2 4.41Å; P921-W962 HydrophobicContact CG-CZ2 4.37Å; P921-T981 HydrophobicContact CG-CG2 4.2Å; P921-E984 WeakPolarHBondContact CD-OE2 3.29Å; P921-E984 HydrophobicContact CG-CB 3.56Å; P921-E984 HydrophobicContact CG-CG 4.4Å; P921-E984 VanDerWaalsContact CG-OE2 3.24Å; P921-E984 WeakPolarHBondContact CG-OE2 3.38Å; P921-L985 HydrophobicContact CB-CD2 3.77Å; P921-L985 HydrophobicContact CB-CG 4.17Å |
| 922 | R | 85.6 | Confident | 85.3 | Confident | 109 Ų | 109 | 60.2 Ų | 60.2 | 41% | 0.411 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -83 | 153.9 | 164.1 | -68 | -167.1 | 179.4 | -155.9 | 5.3 | 111.2 | A912 T914 L915 T916 R924 S925 L985 | A912-R922 PolarHBondContact O-NE 3.24Å; A912-R922 PolarHBondContact O-NH1 2.74Å; A912-R922 PolarHBondContact O-NH2 3.49Å; T914-R922 PolarHBondContact O-N 3.11Å; T914-R922 VanDerWaalsContact O-N 3.09Å; L915-R922 PolarHBondContact O-NE 2.9Å; L915-R922 PolarHBondContact O-NH2 3.42Å; T916-R922 HydrophobicContact CG2-CG 4.02Å; R922-R924 PolarHBondContact O-N 2.98Å; R922-S925 PolarHBondContact N-OG 2.9Å; R922-S925 VanDerWaalsContact O-CB 3.29Å; R922-S925 WeakPolarHBondContact O-CB 3.49Å; R922-S925 PolarHBondContact O-N 3.44Å; R922-S925 PolarHBondContact O-OG 2.85Å; R922-L985 WeakPolarHBondContact O-CD2 3.2Å |
| 923 | W | 84.1 | Confident | 85.5 | Confident | 129 Ų | 129 | 58.7 Ų | 58.7 | 49% | 0.489 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.7 | 124.5 | 174 | -177.6 | 83.1 | 0 | 0 | 0 | 111.2 | S925 D986 | W923-S925 PolarHBondContact O-N 2.7Å; W923-S925 VanDerWaalsContact O-N 3.12Å; W923-D986 VanDerWaalsContact CD1-CB 3.49Å; W923-D986 PolarHBondContact NE1-OD2 3.02Å |
| 924 | R | 83.9 | Confident | 85.6 | Confident | 48 Ų | 48 | 65 Ų | 65 | 18% | 0.181 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 22.8 | -177.1 | -62.8 | -169.8 | 167.4 | -100.8 | -22.6 | 117.2 | R922 H926 C927 L985 D986 D987 G1041 | R922-R924 PolarHBondContact O-N 2.98Å; R924-H926 PolarHBondContact O-N 2.95Å; R924-H926 VanDerWaalsContact O-N 3.15Å; R924-C927 VanDerWaalsContact O-CB 3.3Å; R924-C927 WeakPolarHBondContact O-CB 3.24Å; R924-C927 PolarHBondContact O-N 2.8Å; R924-L985 WeakPolarHBondContact CG-O 3.29Å; R924-L985 PolarHBondContact N-O 3.01Å; R924-D986 PolarHBondContact NH2-O 3Å; R924-D987 IonicContact CZ-OD2 3.31Å; R924-D987 VanDerWaalsContact CZ-OD2 3.31Å; R924-D987 IonicContact NH1-OD2 3.02Å; R924-D987 PolarHBondContact NH1-OD2 2.83Å; R924-D987 IonicContact NH2-OD1 3.78Å; R924-D987 IonicContact NH2-OD2 2.85Å; R924-D987 PolarHBondContact NH2-OD2 3.27Å; R924-G1041 PolarHBondContact NH2-O 2.78Å |
| 925 | S | 88.9 | Confident | 85.7 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -65.1 | -15.5 | 178.4 | 49.8 | 0 | 0 | 0 | 0 | 115 | T914 R922 W923 C927 F928 W962 L985 | T914-S925 PolarHBondContact O-OG 3.45Å; R922-S925 PolarHBondContact N-OG 2.9Å; R922-S925 VanDerWaalsContact O-CB 3.29Å; R922-S925 WeakPolarHBondContact O-CB 3.49Å; R922-S925 PolarHBondContact O-N 3.44Å; R922-S925 PolarHBondContact O-OG 2.85Å; W923-S925 PolarHBondContact O-N 2.7Å; W923-S925 VanDerWaalsContact O-N 3.12Å; S925-C927 PolarHBondContact O-N 3.26Å; S925-F928 PolarHBondContact O-N 3.42Å; S925-W962 PolarHBondContact OG-NE1 3.19Å; S925-L985 VanDerWaalsContact OG-CD2 3.29Å; S925-L985 WeakPolarHBondContact OG-CD2 3.45Å |
| 926 | H | 86.9 | Confident | 85.9 | Confident | 25 Ų | 25 | 64.8 Ų | 64.8 | 12% | 0.116 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -68 | -15.8 | 169.8 | 64.6 | -71.4 | 0 | 0 | 0 | 113.6 | R924 W962 T963 L985 D987 | R924-H926 PolarHBondContact O-N 2.95Å; R924-H926 VanDerWaalsContact O-N 3.15Å; H926-W962 HydrophobicContact CB-CB 4.08Å; H926-T963 HydrophobicContact CB-CG2 4.15Å; H926-L985 HydrophobicContact CB-CD1 4.14Å; H926-L985 HydrophobicContact CB-CD2 4.33Å; H926-D987 VanDerWaalsContact CE1-CB 3.44Å; H926-D987 WeakPolarHBondContact CE1-CB 3.5Å; H926-D987 IonicContact CE1-OD2 3.54Å; H926-D987 IonicContact NE2-OD2 3.5Å; H926-D987 PolarHBondContact NE2-OD2 2.84Å |
| 927 | C | 86.4 | Confident | 86.1 | Confident | 64 Ų | 64 | 64.3 Ų | 64.3 | 43% | 0.432 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -82.1 | -9.3 | 178.3 | -63 | 0 | 0 | 0 | 0 | 114.1 | R924 S925 | R924-C927 VanDerWaalsContact O-CB 3.3Å; R924-C927 WeakPolarHBondContact O-CB 3.24Å; R924-C927 PolarHBondContact O-N 2.8Å; S925-C927 PolarHBondContact O-N 3.26Å |
| 928 | F | 86.7 | Confident | 86.7 | Confident | 89 Ų | 89 | 60.1 Ų | 60.1 | 39% | 0.39 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -68.1 | 137.6 | 177.2 | -78.5 | -75.1 | 0 | 0 | 0 | 111.6 | P909 D913 S925 W930 | P909-F928 HydrophobicContact CB-CB 4.22Å; P909-F928 HydrophobicContact CB-CG 4.41Å; P909-F928 HydrophobicContact CG-CB 3.76Å; P909-F928 HydrophobicContact CG-CG 4.47Å; D913-F928 HydrophobicContact CB-CD2 4.37Å; D913-F928 HydrophobicContact CB-CE1 4.17Å; D913-F928 HydrophobicContact CB-CE2 3.85Å; D913-F928 HydrophobicContact CB-CZ 3.75Å; D913-F928 WeakPolarHBondContact O-CE2 3.28Å; S925-F928 PolarHBondContact O-N 3.42Å; F928-W930 VanDerWaalsContact O-CD1 3.3Å |
| 929 | T | 84.5 | Confident | 87.3 | Confident | 130 Ų | 130 | 54.2 Ų | 54.2 | 80% | 0.798 | 28% | 0.277 | S | S | * | . | P | Polyproline II helix | trans | -78.8 | 124.1 | 177 | 50.1 | 0 | 0 | 0 | 0 | 111 | ||
| 930 | W | 89.6 | Confident | 87.9 | Confident | 26 Ų | 26 | 52.6 Ų | 52.6 | 10% | 0.098 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -96.7 | 131.2 | 172.2 | -68.5 | 67.3 | 0 | 0 | 0 | 109.3 | L904 A908 P909 T914 F928 Y932 G933 L936 H959 Y961 | L904-W930 HydrophobicContact CB-CZ3 4.48Å; L904-W930 HydrophobicContact CD2-CE3 4.28Å; L904-W930 HydrophobicContact CD2-CH2 4.22Å; L904-W930 HydrophobicContact CD2-CZ3 3.75Å; A908-W930 HydrophobicContact CB-CE3 3.86Å; A908-W930 HydrophobicContact CB-CH2 4.24Å; A908-W930 HydrophobicContact CB-CZ3 3.55Å; P909-W930 HydrophobicContact CG-CD2 4.27Å; P909-W930 HydrophobicContact CG-CG 4.39Å; P909-W930 HydrophobicContact CG-CZ2 4.32Å; T914-W930 HydrophobicContact CG2-CZ2 4.24Å; F928-W930 VanDerWaalsContact O-CD1 3.3Å; W930-Y932 VanDerWaalsContact C-N 3.27Å; W930-Y932 PolarHBondContact O-N 2.94Å; W930-G933 PolarHBondContact O-N 2.88Å; W930-L936 HydrophobicContact CB-CD1 4.2Å; W930-L936 HydrophobicContact CD2-CD1 4.28Å; W930-L936 HydrophobicContact CE3-CD1 3.86Å; W930-L936 HydrophobicContact CG-CD1 4.43Å; W930-H959 HydrophobicContact CH2-CB 4.21Å; W930-H959 WeakPolarHBondContact CH2-O 3.19Å; W930-Y961 AromaticContact CD1-CD2 3.84Å; W930-Y961 AromaticContact CD2-CD2 3.72Å; W930-Y961 HydrophobicContact CD2-CD2 3.72Å; W930-Y961 HydrophobicContact CD2-CE2 4.33Å; W930-Y961 HydrophobicContact CD2-CG 4.49Å; W930-Y961 AromaticContact CE2-CD2 3.6Å; W930-Y961 HydrophobicContact CE3-CD2 4.33Å; W930-Y961 AromaticContact CG-CD2 3.91Å; W930-Y961 HydrophobicContact CG-CD2 3.91Å; W930-Y961 HydrophobicContact CG-CE2 4.09Å; W930-Y961 HydrophobicContact CZ2-CD2 4.14Å; W930-Y961 HydrophobicContact CZ2-CG 4.43Å; W930-Y961 AromaticContact NE1-CD2 3.67Å |
| 931 | G | 85.1 | Confident | 88.1 | Confident | 57 Ų | 57 | 51.4 Ų | 51.4 | 59% | 0.588 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -43.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113 | D907 | D907-G931 PolarHBondContact O-N 3.18Š|
| 932 | Y | 88.5 | Confident | 88.1 | Confident | 14 Ų | 14 | 51 Ų | 51 | 6% | 0.055 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 22.1 | 176.5 | -62.8 | -78.2 | 0 | 0 | 0 | 113.7 | L867 D871 H906 D907 W930 R934 F935 L936 | L867-Y932 HydrophobicContact CD1-CD1 4.47Å; L867-Y932 HydrophobicContact CD2-CD1 4.05Å; L867-Y932 HydrophobicContact CD2-CD2 3.4Å; L867-Y932 HydrophobicContact CD2-CE1 4.13Å; L867-Y932 HydrophobicContact CD2-CE2 3.49Å; L867-Y932 VanDerWaalsContact CD2-CE2 3.49Å; L867-Y932 HydrophobicContact CD2-CG 3.7Å; L867-Y932 HydrophobicContact CG-CD1 3.9Å; L867-Y932 HydrophobicContact CG-CD2 4.16Å; L867-Y932 HydrophobicContact CG-CE1 3.83Å; L867-Y932 HydrophobicContact CG-CE2 4.08Å; L867-Y932 HydrophobicContact CG-CG 4.07Å; D871-Y932 HydrophobicContact CB-CD1 4Å; D871-Y932 HydrophobicContact CB-CE1 4.04Å; H906-Y932 HydrophobicContact CB-CE2 4.35Å; H906-Y932 AromaticContact ND1-CE2 3.94Å; D907-Y932 HydrophobicContact CB-CD2 4.36Å; D907-Y932 HydrophobicContact CB-CE2 4.11Å; D907-Y932 WeakPolarHBondContact OD2-CE2 3.5Å; W930-Y932 VanDerWaalsContact C-N 3.27Å; W930-Y932 PolarHBondContact O-N 2.94Å; Y932-R934 PolarHBondContact O-N 2.83Å; Y932-F935 WeakPolarHBondContact O-CA 3.34Å; Y932-F935 WeakPolarHBondContact O-CB 3.37Å; Y932-F935 PolarHBondContact O-N 3.11Å; Y932-L936 PolarHBondContact O-N 3.21Å |
| 933 | G | 86.8 | Confident | 88.1 | Confident | 20 Ų | 20 | 49.6 Ų | 49.6 | 21% | 0.206 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -54.4 | -30.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | W930 S937 Y961 | W930-G933 PolarHBondContact O-N 2.88Å; G933-S937 PolarHBondContact O-N 3.08Å; G933-Y961 PolarHBondContact O-OH 3.39Å |
| 934 | R | 87.6 | Confident | 88.2 | Confident | 191 Ų | 191 | 44.6 Ų | 44.6 | 72% | 0.721 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -72.4 | -44 | 173.3 | -69 | -178.7 | 178.7 | 166.1 | 1.6 | 112.2 | Y932 S937 L938 | Y932-R934 PolarHBondContact O-N 2.83Å; R934-S937 PolarHBondContact O-N 2.72Å; R934-L938 WeakPolarHBondContact O-CG 3.36Å; R934-L938 PolarHBondContact O-N 3.26Å |
| 935 | F | 90.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.8 | -42.2 | 177.3 | -175.9 | -107.6 | 0 | 0 | 0 | 111.7 | L867 L870 V874 L886 W899 A903 Y932 S937 L938 L939 | L867-F935 HydrophobicContact CD1-CD1 3.79Å; L867-F935 HydrophobicContact CD1-CE1 3.47Å; L867-F935 VanDerWaalsContact CD1-CE1 3.47Å; L867-F935 HydrophobicContact CD1-CZ 4.3Å; L870-F935 HydrophobicContact CB-CE2 4.26Å; L870-F935 HydrophobicContact CB-CZ 4.07Å; L870-F935 HydrophobicContact CD1-CZ 4.27Å; V874-F935 HydrophobicContact CG2-CE2 4.14Å; L886-F935 HydrophobicContact CD1-CE2 4.01Å; L886-F935 HydrophobicContact CD1-CZ 4.42Å; L886-F935 HydrophobicContact CD2-CE2 4.44Å; W899-F935 HydrophobicContact CE3-CZ 4.24Å; A903-F935 HydrophobicContact CB-CD1 4.18Å; Y932-F935 WeakPolarHBondContact O-CA 3.34Å; Y932-F935 WeakPolarHBondContact O-CB 3.37Å; Y932-F935 PolarHBondContact O-N 3.11Å; F935-S937 VanDerWaalsContact C-N 3.35Å; F935-S937 PolarHBondContact O-N 3.41Å; F935-L938 PolarHBondContact O-N 3.49Å; F935-L938 VanDerWaalsContact O-N 3.15Å; F935-L939 HydrophobicContact CD1-CD1 3.81Å; F935-L939 HydrophobicContact CD1-CG 4.38Å; F935-L939 HydrophobicContact CE1-CD1 3.52Å; F935-L939 HydrophobicContact CE1-CG 4.13Å; F935-L939 HydrophobicContact CZ-CD1 4.14Å; F935-L939 HydrophobicContact CZ-CD2 4.43Å; F935-L939 HydrophobicContact CZ-CG 4.32Å; F935-L939 PolarHBondContact O-N 3.36Å |
| 936 | L | 92.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -53.7 | -48.8 | 170.4 | -72.2 | 175.2 | 0 | 0 | 0 | 111.8 | L900 A903 L904 W930 Y932 L938 L939 I940 Y961 | L900-L936 HydrophobicContact CD1-CD2 3.62Å; A903-L936 HydrophobicContact CB-CD2 3.47Å; A903-L936 VanDerWaalsContact CB-CD2 3.47Å; A903-L936 HydrophobicContact CB-CG 4.07Å; L904-L936 HydrophobicContact CD2-CD1 4.05Å; L904-L936 HydrophobicContact CD2-CD2 3.87Å; L904-L936 HydrophobicContact CG-CD2 3.9Å; W930-L936 HydrophobicContact CB-CD1 4.2Å; W930-L936 HydrophobicContact CD2-CD1 4.28Å; W930-L936 HydrophobicContact CE3-CD1 3.86Å; W930-L936 HydrophobicContact CG-CD1 4.43Å; Y932-L936 PolarHBondContact O-N 3.21Å; L936-L938 VanDerWaalsContact C-N 3.33Å; L936-L938 PolarHBondContact O-N 2.67Å; L936-L939 PolarHBondContact O-N 3.13Å; L936-I940 WeakPolarHBondContact O-CG1 3.38Å; L936-I940 PolarHBondContact O-N 3.23Å; L936-I940 VanDerWaalsContact O-N 3.11Å; L936-Y961 HydrophobicContact CB-CE1 3.75Å; L936-Y961 HydrophobicContact CD1-CD1 4.39Å; L936-Y961 HydrophobicContact CD1-CD2 4.19Å; L936-Y961 HydrophobicContact CD1-CE1 4.18Å; L936-Y961 HydrophobicContact CD1-CE2 3.97Å; L936-Y961 HydrophobicContact CD1-CG 4.4Å; L936-Y961 HydrophobicContact CG-CE1 4.48Å |
| 937 | S | 90.8 | Very high | 88.6 | Confident | 37 Ų | 37 | 53.1 Ų | 53.1 | 26% | 0.259 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.7 | -37.3 | 177.7 | -157.1 | 0 | 0 | 0 | 0 | 112.5 | G933 R934 F935 R941 | G933-S937 PolarHBondContact O-N 3.08Å; R934-S937 PolarHBondContact O-N 2.72Å; F935-S937 VanDerWaalsContact C-N 3.35Å; F935-S937 PolarHBondContact O-N 3.41Å; S937-R941 WeakPolarHBondContact O-CB 3.46Å; S937-R941 WeakPolarHBondContact O-CD 3.48Å; S937-R941 WeakPolarHBondContact O-CG 3.46Å; S937-R941 PolarHBondContact O-N 2.73Å; S937-R941 VanDerWaalsContact O-N 3.09Å; S937-R941 PolarHBondContact OG-NE 2.76Å; S937-R941 VanDerWaalsContact OG-NE 3.14Å |
| 938 | L | 91.2 | Very high | 88.7 | Confident | 28 Ų | 28 | 51.2 Ų | 51.2 | 15% | 0.147 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.8 | -45.5 | 175.6 | -71 | 171.7 | 0 | 0 | 0 | 112.2 | V874 R882 L883 L886 R934 F935 L936 I940 R941 L942 | V874-L938 HydrophobicContact CG1-CD1 3.84Å; R882-L938 HydrophobicContact CB-CD1 4.26Å; R882-L938 HydrophobicContact CB-CD2 4.37Å; L883-L938 HydrophobicContact CD2-CB 4.27Å; L883-L938 HydrophobicContact CD2-CD2 3.62Å; L883-L938 WeakPolarHBondContact CD2-O 3.42Å; L883-L938 HydrophobicContact CG-CD2 3.9Å; L886-L938 HydrophobicContact CD2-CB 3.95Å; R934-L938 WeakPolarHBondContact O-CG 3.36Å; R934-L938 PolarHBondContact O-N 3.26Å; F935-L938 PolarHBondContact O-N 3.49Å; F935-L938 VanDerWaalsContact O-N 3.15Å; L936-L938 VanDerWaalsContact C-N 3.33Å; L936-L938 PolarHBondContact O-N 2.67Å; L938-I940 VanDerWaalsContact C-N 3.34Å; L938-I940 PolarHBondContact O-N 3.43Å; L938-R941 PolarHBondContact O-N 2.75Å; L938-L942 PolarHBondContact O-N 3.14Å |
| 939 | L | 90.8 | Very high | 89 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.6 | -45.3 | 177.1 | -77.9 | 171.6 | 0 | 0 | 0 | 112 | L886 L890 R896 W899 L900 F935 L936 L942 | L886-L939 HydrophobicContact CD1-CD2 4.35Å; L886-L939 HydrophobicContact CD2-CD2 4.03Å; L886-L939 HydrophobicContact CD2-CG 4.28Å; L886-L939 HydrophobicContact CG-CD2 4.49Å; L890-L939 HydrophobicContact CD1-CD2 4.27Å; R896-L939 HydrophobicContact CG-CD2 4.07Å; W899-L939 HydrophobicContact CB-CD1 4.44Å; L900-L939 HydrophobicContact CB-CD1 4.25Å; L900-L939 HydrophobicContact CD1-CB 4.32Å; L900-L939 HydrophobicContact CD1-CD1 4.15Å; F935-L939 HydrophobicContact CD1-CD1 3.81Å; F935-L939 HydrophobicContact CD1-CG 4.38Å; F935-L939 HydrophobicContact CE1-CD1 3.52Å; F935-L939 HydrophobicContact CE1-CG 4.13Å; F935-L939 HydrophobicContact CZ-CD1 4.14Å; F935-L939 HydrophobicContact CZ-CD2 4.43Å; F935-L939 HydrophobicContact CZ-CG 4.32Å; F935-L939 PolarHBondContact O-N 3.36Å; L936-L939 PolarHBondContact O-N 3.13Å; L939-L942 WeakPolarHBondContact O-CB 3.42Å; L939-L942 PolarHBondContact O-N 3.37Å |
| 940 | I | 91.6 | Very high | 89.3 | Confident | 5 Ų | 5 | 46.9 Ų | 46.9 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -71.1 | -31.5 | -178.4 | -71 | 175.9 | 0 | 0 | 0 | 112.4 | L900 L936 L938 L942 C956 Y961 Y967 L968 | L900-I940 HydrophobicContact CD1-CD1 4.33Å; L900-I940 HydrophobicContact CD1-CG1 4.09Å; L936-I940 WeakPolarHBondContact O-CG1 3.38Å; L936-I940 PolarHBondContact O-N 3.23Å; L936-I940 VanDerWaalsContact O-N 3.11Å; L938-I940 VanDerWaalsContact C-N 3.34Å; L938-I940 PolarHBondContact O-N 3.43Å; I940-L942 PolarHBondContact O-N 3.19Å; I940-C956 VanDerWaalsContact CD1-SG 3.51Å; I940-Y961 HydrophobicContact CD1-CD1 4.04Å; I940-Y961 HydrophobicContact CD1-CE1 3.71Å; I940-Y967 HydrophobicContact CG2-CD1 3.44Å; I940-Y967 VanDerWaalsContact CG2-CD1 3.44Å; I940-Y967 HydrophobicContact CG2-CE1 3.89Å; I940-Y967 HydrophobicContact CG2-CG 4.33Å; I940-L968 HydrophobicContact CD1-CD1 4.27Å; I940-L968 HydrophobicContact CG1-CD1 4.36Å; I940-L968 HydrophobicContact CG2-CD1 4.06Å; I940-L968 HydrophobicContact CG2-CD2 3.98Å; I940-L968 HydrophobicContact CG2-CG 3.74Å |
| 941 | R | 90.2 | Very high | 89.4 | Confident | 97 Ų | 97 | 51 Ų | 51 | 37% | 0.366 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -4.7 | 177 | -73.7 | 171.9 | -168 | -112.6 | -5.1 | 113.9 | L883 S937 L938 Y967 D995 | L883-R941 HydrophobicContact CD2-CB 4.04Å; S937-R941 WeakPolarHBondContact O-CB 3.46Å; S937-R941 WeakPolarHBondContact O-CD 3.48Å; S937-R941 WeakPolarHBondContact O-CG 3.46Å; S937-R941 PolarHBondContact O-N 2.73Å; S937-R941 VanDerWaalsContact O-N 3.09Å; S937-R941 PolarHBondContact OG-NE 2.76Å; S937-R941 VanDerWaalsContact OG-NE 3.14Å; L938-R941 PolarHBondContact O-N 2.75Å; R941-Y967 HydrophobicContact CG-CE1 4.31Å; R941-Y967 HydrophobicContact CG-CE2 4.15Å; R941-D995 IonicContact CZ-OD2 3.83Å; R941-D995 IonicContact NH1-OD1 3.91Å; R941-D995 IonicContact NH1-OD2 2.64Å; R941-D995 PolarHBondContact NH1-OD2 2.95Å; R941-D995 VanDerWaalsContact NH1-OD2 3.08Å; R941-D995 IonicContact NH2-OD2 3.55Å; R941-D995 PolarHBondContact NH2-OD2 3.32Å |
| 942 | L | 88.9 | Confident | 89.8 | Confident | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -71.9 | 147.7 | 177.6 | -68.7 | 174.2 | 0 | 0 | 0 | 112.8 | L883 L886 Q887 L890 L938 L939 I940 A944 | L883-L942 HydrophobicContact CB-CD2 4.49Å; L883-L942 HydrophobicContact CD2-CD2 4.11Å; L886-L942 HydrophobicContact CD2-CD1 4.18Å; L886-L942 HydrophobicContact CG-CD1 4.13Å; Q887-L942 HydrophobicContact CB-CD2 4.1Å; L890-L942 HydrophobicContact CD1-CD1 3.31Å; L938-L942 PolarHBondContact O-N 3.14Å; L939-L942 WeakPolarHBondContact O-CB 3.42Å; L939-L942 PolarHBondContact O-N 3.37Å; I940-L942 PolarHBondContact O-N 3.19Å; L942-A944 PolarHBondContact O-N 2.87Å |
| 943 | P | 85.9 | Confident | 90 | Very high | 79 Ų | 79 | 48 Ų | 48 | 51% | 0.513 | 25% | 0.246 | S | C | . | . | trans | -62.7 | 124.5 | 171.7 | 27.4 | -34.2 | 0 | 0 | 0 | 110.4 | R896 | R896-P943 PolarHBondContact NH1-O 3.04Š| ||
| 944 | A | 86.3 | Confident | 90.3 | Very high | 24 Ų | 24 | 51.8 Ų | 51.8 | 20% | 0.198 | 26% | 0.258 | C | S | . | . | trans | -140.2 | 155.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | L942 K949 M952 | L942-A944 PolarHBondContact O-N 2.87Å; A944-K949 HydrophobicContact CB-CG 3.98Å; A944-M952 HydrophobicContact CB-CE 3.9Å | ||
| 945 | D | 88.4 | Confident | 90.5 | Very high | 74 Ų | 74 | 44.3 Ų | 44.3 | 40% | 0.396 | 23% | 0.232 | S | C | . | . | trans | -67.8 | 165.7 | 169.1 | 75 | -75.8 | 0 | 0 | 0 | 111.8 | S947 S948 K949 | D945-S947 PolarHBondContact O-N 3.01Å; D945-S947 WeakPolarHBondContact OD2-CA 3.34Å; D945-S947 WeakPolarHBondContact OD2-CB 3.45Å; D945-S947 PolarHBondContact OD2-N 2.9Å; D945-S947 PolarHBondContact OD2-OG 2.82Å; D945-S948 PolarHBondContact O-N 3.3Å; D945-S948 WeakPolarHBondContact OD1-CB 3.47Å; D945-S948 PolarHBondContact OD1-OG 3.41Å; D945-S948 PolarHBondContact OD2-N 3.25Å; D945-K949 WeakPolarHBondContact O-CG 3.47Å; D945-K949 PolarHBondContact O-N 2.92Å | ||
| 946 | I | 89.5 | Confident | 90.7 | Very high | 116 Ų | 116 | 44.3 Ų | 44.3 | 60% | 0.595 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -64.1 | -41.2 | -176.1 | -59.2 | 175.9 | 0 | 0 | 0 | 111.2 | K949 E950 L972 | I946-K949 PolarHBondContact O-N 3.41Å; I946-K949 VanDerWaalsContact O-N 3.16Å; I946-E950 HydrophobicContact CG2-CG 4.37Å; I946-E950 WeakPolarHBondContact CG2-OE1 3.48Å; I946-E950 WeakPolarHBondContact O-CG 3.47Å; I946-E950 PolarHBondContact O-N 3.25Å; I946-L972 HydrophobicContact CG2-CD2 4.03Å |
| 947 | S | 90.3 | Very high | 90.7 | Very high | 62 Ų | 62 | 49.1 Ų | 49.1 | 43% | 0.434 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -70.3 | -35.5 | -178.5 | 83.6 | 0 | 0 | 0 | 0 | 112.4 | D945 E950 K951 | D945-S947 PolarHBondContact O-N 3.01Å; D945-S947 WeakPolarHBondContact OD2-CA 3.34Å; D945-S947 WeakPolarHBondContact OD2-CB 3.45Å; D945-S947 PolarHBondContact OD2-N 2.9Å; D945-S947 PolarHBondContact OD2-OG 2.82Å; S947-E950 PolarHBondContact O-N 3.15Å; S947-K951 WeakPolarHBondContact O-CG 3.43Å; S947-K951 PolarHBondContact O-N 2.97Å |
| 948 | S | 88.7 | Confident | 90.7 | Very high | 23 Ų | 23 | 50 Ų | 50 | 16% | 0.161 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.1 | -39.3 | 170 | -65.8 | 0 | 0 | 0 | 0 | 111.5 | Q897 D945 K951 M952 | Q897-S948 PolarHBondContact NE2-OG 3.12Å; D945-S948 PolarHBondContact O-N 3.3Å; D945-S948 WeakPolarHBondContact OD1-CB 3.47Å; D945-S948 PolarHBondContact OD1-OG 3.41Å; D945-S948 PolarHBondContact OD2-N 3.25Å; S948-K951 PolarHBondContact O-N 3.42Å; S948-M952 WeakPolarHBondContact O-CB 3.43Å; S948-M952 VanDerWaalsContact O-CG 3.23Å; S948-M952 WeakPolarHBondContact O-CG 3.41Å; S948-M952 PolarHBondContact O-N 3.2Å |
| 949 | K | 91.1 | Very high | 90.6 | Very high | 31 Ų | 31 | 50.9 Ų | 50.9 | 14% | 0.135 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.3 | -41.9 | 173.9 | -74.5 | -172.7 | -178.2 | 178.8 | 0 | 112.3 | A944 D945 I946 M952 N953 L968 E971 L972 | A944-K949 HydrophobicContact CB-CG 3.98Å; D945-K949 WeakPolarHBondContact O-CG 3.47Å; D945-K949 PolarHBondContact O-N 2.92Å; I946-K949 PolarHBondContact O-N 3.41Å; I946-K949 VanDerWaalsContact O-N 3.16Å; K949-M952 HydrophobicContact CG-CE 4.03Å; K949-M952 PolarHBondContact O-N 3.49Å; K949-N953 WeakPolarHBondContact O-CB 3.5Å; K949-N953 PolarHBondContact O-N 3.45Å; K949-L968 HydrophobicContact CB-CD2 4.29Å; K949-L968 HydrophobicContact CG-CD2 4.2Å; K949-E971 HydrophobicContact CD-CB 4.46Å; K949-E971 IonicContact NZ-OE2 3.55Å; K949-E971 PolarHBondContact NZ-OE2 2.91Å; K949-L972 HydrophobicContact CB-CD1 4.42Å; K949-L972 HydrophobicContact CB-CD2 3.81Å; K949-L972 HydrophobicContact CB-CG 4.23Å |
| 950 | E | 92 | Very high | 90.6 | Very high | 98 Ų | 98 | 50.9 Ų | 50.9 | 46% | 0.458 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.5 | -47.2 | 174.7 | -72.9 | 166.1 | 174.5 | 0 | 0 | 111.6 | I946 S947 N953 E954 L972 | I946-E950 HydrophobicContact CG2-CG 4.37Å; I946-E950 WeakPolarHBondContact CG2-OE1 3.48Å; I946-E950 WeakPolarHBondContact O-CG 3.47Å; I946-E950 PolarHBondContact O-N 3.25Å; S947-E950 PolarHBondContact O-N 3.15Å; E950-N953 WeakPolarHBondContact O-CB 3.31Å; E950-N953 PolarHBondContact O-N 3.04Å; E950-E954 PolarHBondContact O-N 2.97Å; E950-E954 VanDerWaalsContact O-N 3.08Å; E950-L972 HydrophobicContact CG-CD1 4.36Å; E950-L972 HydrophobicContact CG-CD2 4.19Å |
| 951 | K | 91.3 | Very high | 90.7 | Very high | 112 Ų | 112 | 51.2 Ų | 51.2 | 49% | 0.487 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60 | -47.7 | 174.1 | -73.8 | 176.7 | 170.3 | -169.5 | 0 | 112.8 | Q897 S947 S948 N953 E954 M955 | Q897-K951 VanDerWaalsContact OE1-NZ 3.17Å; S947-K951 WeakPolarHBondContact O-CG 3.43Å; S947-K951 PolarHBondContact O-N 2.97Å; S948-K951 PolarHBondContact O-N 3.42Å; K951-N953 PolarHBondContact O-N 3.23Å; K951-E954 PolarHBondContact O-N 3.15Å; K951-M955 HydrophobicContact CB-CE 4.49Å; K951-M955 WeakPolarHBondContact O-CG 3.35Å; K951-M955 PolarHBondContact O-N 3.15Å |
| 952 | M | 93 | Very high | 90.8 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.9 | -33.7 | 176.3 | -68.8 | -173.4 | -60.1 | 0 | 0 | 111.6 | L900 A944 S948 K949 M955 C956 L968 | L900-M952 HydrophobicContact CD2-CB 3.83Å; L900-M952 HydrophobicContact CD2-CG 3.54Å; L900-M952 HydrophobicContact CD2-SD 4.06Å; A944-M952 HydrophobicContact CB-CE 3.9Å; S948-M952 WeakPolarHBondContact O-CB 3.43Å; S948-M952 VanDerWaalsContact O-CG 3.23Å; S948-M952 WeakPolarHBondContact O-CG 3.41Å; S948-M952 PolarHBondContact O-N 3.2Å; K949-M952 HydrophobicContact CG-CE 4.03Å; K949-M952 PolarHBondContact O-N 3.49Å; M952-M955 HydrophobicContact CG-CE 4.31Å; M952-C956 WeakPolarHBondContact O-CB 3.25Å; M952-C956 PolarHBondContact O-N 2.91Å; M952-C956 PolarHBondContact O-SG 3.46Å; M952-L968 HydrophobicContact CB-CD1 3.75Å; M952-L968 HydrophobicContact CE-CD2 4.38Å |
| 953 | N | 93.6 | Very high | 90.9 | Very high | 7 Ų | 7 | 49.4 Ų | 49.4 | 4% | 0.037 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.7 | -48.1 | 178.9 | -160.7 | 43.6 | 0 | 0 | 0 | 111.3 | K949 E950 K951 M955 C956 R957 Y965 L968 C969 L972 | K949-N953 WeakPolarHBondContact O-CB 3.5Å; K949-N953 PolarHBondContact O-N 3.45Å; E950-N953 WeakPolarHBondContact O-CB 3.31Å; E950-N953 PolarHBondContact O-N 3.04Å; K951-N953 PolarHBondContact O-N 3.23Å; N953-M955 PolarHBondContact O-N 3.27Å; N953-C956 PolarHBondContact O-N 3.08Å; N953-R957 WeakPolarHBondContact O-CB 3.28Å; N953-R957 PolarHBondContact O-N 2.84Å; N953-Y965 WeakPolarHBondContact ND2-CE2 3.39Å; N953-Y965 WeakPolarHBondContact O-CD2 3.27Å; N953-Y965 WeakPolarHBondContact OD1-CD2 3.46Å; N953-Y965 WeakPolarHBondContact OD1-CE2 3.36Å; N953-Y965 PolarHBondContact OD1-O 2.89Å; N953-L968 HydrophobicContact CB-CB 4.07Å; N953-L968 HydrophobicContact CB-CD1 4.33Å; N953-L968 VanDerWaalsContact OD1-CB 3.23Å; N953-L968 WeakPolarHBondContact OD1-CB 3.43Å; N953-C969 PolarHBondContact ND2-SG 2.98Å; N953-C969 VanDerWaalsContact ND2-SG 3.37Å; N953-L972 HydrophobicContact CB-CD1 4.02Å |
| 954 | E | 93 | Very high | 91.1 | Very high | 100 Ų | 100 | 45.9 Ų | 45.9 | 47% | 0.467 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -67.9 | -34.6 | 178.3 | -167.4 | 66 | -177.4 | 0 | 0 | 112 | E950 K951 R957 S958 | E950-E954 PolarHBondContact O-N 2.97Å; E950-E954 VanDerWaalsContact O-N 3.08Å; K951-E954 PolarHBondContact O-N 3.15Å; E954-R957 VanDerWaalsContact CD-NH1 3.29Å; E954-R957 WeakPolarHBondContact O-CB 3.32Å; E954-R957 PolarHBondContact O-N 3.36Å; E954-R957 IonicContact OE1-CZ 2.6Å; E954-R957 IonicContact OE1-NH1 3.16Å; E954-R957 PolarHBondContact OE1-NH1 3.39Å; E954-R957 WeakPolarHBondContact OE2-CD 3.32Å; E954-R957 IonicContact OE2-CZ 3.56Å; E954-R957 IonicContact OE2-NH1 2.63Å; E954-R957 PolarHBondContact OE2-NH1 3.01Å; E954-S958 PolarHBondContact O-N 3.34Å; E954-S958 PolarHBondContact O-OG 3.19Å |
| 955 | M | 92.4 | Very high | 91.4 | Very high | 34 Ų | 34 | 45.2 Ų | 45.2 | 17% | 0.167 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.1 | -44 | 170.8 | -72.8 | -170.1 | -77.2 | 0 | 0 | 112.5 | Q897 L900 E901 L904 K951 M952 N953 R957 S958 H959 | Q897-M955 HydrophobicContact CB-CE 4.22Å; Q897-M955 HydrophobicContact CG-CE 4.17Å; L900-M955 HydrophobicContact CD2-CE 4.18Å; E901-M955 HydrophobicContact CB-SD 4.37Å; L904-M955 HydrophobicContact CD1-CB 4.13Å; K951-M955 HydrophobicContact CB-CE 4.49Å; K951-M955 WeakPolarHBondContact O-CG 3.35Å; K951-M955 PolarHBondContact O-N 3.15Å; M952-M955 HydrophobicContact CG-CE 4.31Å; N953-M955 PolarHBondContact O-N 3.27Å; M955-R957 PolarHBondContact O-N 2.86Å; M955-S958 PolarHBondContact O-N 2.94Å; M955-S958 PolarHBondContact O-OG 3.47Å; M955-H959 PolarHBondContact O-CD2 3.05Å; M955-H959 VanDerWaalsContact O-CD2 3.25Å; M955-H959 PolarHBondContact O-N 3.16Å |
| 956 | C | 93.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.4 | -35.4 | 174.7 | -67.7 | 0 | 0 | 0 | 0 | 111.6 | I940 M952 N953 G960 Y961 | I940-C956 VanDerWaalsContact CD1-SG 3.51Å; M952-C956 WeakPolarHBondContact O-CB 3.25Å; M952-C956 PolarHBondContact O-N 2.91Å; M952-C956 PolarHBondContact O-SG 3.46Å; N953-C956 PolarHBondContact O-N 3.08Å; C956-G960 CarbonylContact O-C 3.47Å; C956-G960 PolarHBondContact O-N 3.38Å; C956-G960 VanDerWaalsContact O-N 3.07Å; C956-Y961 PolarHBondContact O-N 2.81Å |
| 957 | R | 92.2 | Very high | 91.7 | Very high | 100 Ų | 100 | 39.1 Ų | 39.1 | 38% | 0.377 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -71.7 | -46.3 | 178.8 | -175.3 | 178.4 | 167.3 | -133.6 | -2.4 | 113 | N953 E954 M955 H959 G960 W962 Y965 | N953-R957 WeakPolarHBondContact O-CB 3.28Å; N953-R957 PolarHBondContact O-N 2.84Å; E954-R957 VanDerWaalsContact CD-NH1 3.29Å; E954-R957 WeakPolarHBondContact O-CB 3.32Å; E954-R957 PolarHBondContact O-N 3.36Å; E954-R957 IonicContact OE1-CZ 2.6Å; E954-R957 IonicContact OE1-NH1 3.16Å; E954-R957 PolarHBondContact OE1-NH1 3.39Å; E954-R957 WeakPolarHBondContact OE2-CD 3.32Å; E954-R957 IonicContact OE2-CZ 3.56Å; E954-R957 IonicContact OE2-NH1 2.63Å; E954-R957 PolarHBondContact OE2-NH1 3.01Å; M955-R957 PolarHBondContact O-N 2.86Å; R957-H959 VanDerWaalsContact C-N 3.31Å; R957-H959 PolarHBondContact O-N 3.23Å; R957-G960 PolarHBondContact O-N 2.88Å; R957-W962 HydrophobicContact CG-CH2 4.38Å; R957-W962 HydrophobicContact CG-CZ3 4.19Å; R957-Y965 HydrophobicContact CB-CD2 3.76Å; R957-Y965 HydrophobicContact CB-CE2 3.89Å; R957-Y965 HydrophobicContact CG-CD2 4.39Å; R957-Y965 HydrophobicContact CG-CE2 4.14Å |
| 958 | S | 91.4 | Very high | 91.8 | Very high | 56 Ų | 56 | 36.2 Ų | 36.2 | 39% | 0.392 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -69.1 | -27.9 | -177.4 | 61.5 | 0 | 0 | 0 | 0 | 113.4 | H911 L915 E954 M955 | H911-S958 PolarHBondContact NE2-O 3.08Å; L915-S958 VanDerWaalsContact CD1-O 3.3Å; L915-S958 WeakPolarHBondContact CD1-O 3.23Å; E954-S958 PolarHBondContact O-N 3.34Å; E954-S958 PolarHBondContact O-OG 3.19Å; M955-S958 PolarHBondContact O-N 2.94Å; M955-S958 PolarHBondContact O-OG 3.47Å |
| 959 | H | 89.8 | Confident | 91.9 | Very high | 47 Ų | 47 | 35.1 Ų | 35.1 | 22% | 0.218 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -90.3 | -13.2 | 172.8 | -68.5 | -105.1 | 0 | 0 | 0 | 113.4 | L904 T905 T914 W930 M955 R957 | L904-H959 HydrophobicContact CB-CB 4.17Å; L904-H959 HydrophobicContact CD2-CB 4.43Å; L904-H959 PolarHBondContact O-ND1 3.11Å; T905-H959 VanDerWaalsContact CG2-CE1 3.49Å; T905-H959 WeakPolarHBondContact CG2-CE1 3.15Å; T914-H959 PolarHBondContact OG1-O 3.5Å; W930-H959 HydrophobicContact CH2-CB 4.21Å; W930-H959 WeakPolarHBondContact CH2-O 3.19Å; M955-H959 PolarHBondContact O-CD2 3.05Å; M955-H959 VanDerWaalsContact O-CD2 3.25Å; M955-H959 PolarHBondContact O-N 3.16Å; R957-H959 VanDerWaalsContact C-N 3.31Å; R957-H959 PolarHBondContact O-N 3.23Å |
| 960 | G | 89.9 | Confident | 91.9 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.3 | 26.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | C956 R957 W962 | C956-G960 CarbonylContact O-C 3.47Å; C956-G960 PolarHBondContact O-N 3.38Å; C956-G960 VanDerWaalsContact O-N 3.07Å; R957-G960 PolarHBondContact O-N 2.88Å; G960-W962 VanDerWaalsContact C-N 3.27Å; G960-W962 PolarHBondContact O-N 2.82Å; G960-W962 PolarHBondContact O-NE1 3.02Å |
| 961 | Y | 93.6 | Very high | 91.8 | Very high | 11 Ų | 11 | 35.8 Ų | 35.8 | 4% | 0.043 | 17% | 0.17 | C | C | . | . | trans | -81.4 | 71.8 | 172.8 | -175.7 | -125.3 | 0 | 0 | 0 | 111 | L904 W930 G933 L936 I940 C956 T963 G964 Y965 | L904-Y961 HydrophobicContact CD2-CD1 3.97Å; L904-Y961 HydrophobicContact CD2-CG 3.85Å; W930-Y961 AromaticContact CD1-CD2 3.84Å; W930-Y961 AromaticContact CD2-CD2 3.72Å; W930-Y961 HydrophobicContact CD2-CD2 3.72Å; W930-Y961 HydrophobicContact CD2-CE2 4.33Å; W930-Y961 HydrophobicContact CD2-CG 4.49Å; W930-Y961 AromaticContact CE2-CD2 3.6Å; W930-Y961 HydrophobicContact CE3-CD2 4.33Å; W930-Y961 AromaticContact CG-CD2 3.91Å; W930-Y961 HydrophobicContact CG-CD2 3.91Å; W930-Y961 HydrophobicContact CG-CE2 4.09Å; W930-Y961 HydrophobicContact CZ2-CD2 4.14Å; W930-Y961 HydrophobicContact CZ2-CG 4.43Å; W930-Y961 AromaticContact NE1-CD2 3.67Å; G933-Y961 PolarHBondContact O-OH 3.39Å; L936-Y961 HydrophobicContact CB-CE1 3.75Å; L936-Y961 HydrophobicContact CD1-CD1 4.39Å; L936-Y961 HydrophobicContact CD1-CD2 4.19Å; L936-Y961 HydrophobicContact CD1-CE1 4.18Å; L936-Y961 HydrophobicContact CD1-CE2 3.97Å; L936-Y961 HydrophobicContact CD1-CG 4.4Å; L936-Y961 HydrophobicContact CG-CE1 4.48Å; I940-Y961 HydrophobicContact CD1-CD1 4.04Å; I940-Y961 HydrophobicContact CD1-CE1 3.71Å; C956-Y961 PolarHBondContact O-N 2.81Å; Y961-T963 VanDerWaalsContact C-N 3.31Å; Y961-T963 VanDerWaalsContact CE2-OG1 3.3Å; Y961-T963 WeakPolarHBondContact CE2-OG1 3.44Å; Y961-T963 PolarHBondContact O-N 3.21Å; Y961-G964 PolarHBondContact O-N 3.47Å; Y961-G964 VanDerWaalsContact O-N 3.15Å; Y961-Y965 PolarHBondContact O-N 2.87Å | ||
| 962 | W | 91.9 | Very high | 91.7 | Very high | 3 Ų | 3 | 31.8 Ų | 31.8 | 1% | 0.011 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.8 | -30.9 | -168.2 | -58.7 | 117.8 | 0 | 0 | 0 | 115.2 | T914 L915 P921 S925 H926 R957 G960 Y965 L966 T981 L985 | T914-W962 PolarHBondContact O-NE1 3.4Å; T914-W962 VanDerWaalsContact O-NE1 3.15Å; L915-W962 HydrophobicContact CD2-CH2 3.77Å; L915-W962 HydrophobicContact CD2-CZ2 3.47Å; L915-W962 VanDerWaalsContact CD2-CZ2 3.47Å; L915-W962 HydrophobicContact CG-CZ2 3.92Å; P921-W962 HydrophobicContact CB-CD2 3.98Å; P921-W962 HydrophobicContact CB-CE3 4.41Å; P921-W962 HydrophobicContact CB-CH2 4.14Å; P921-W962 HydrophobicContact CB-CZ2 3.64Å; P921-W962 HydrophobicContact CB-CZ3 4.48Å; P921-W962 HydrophobicContact CG-CH2 4.41Å; P921-W962 HydrophobicContact CG-CZ2 4.37Å; S925-W962 PolarHBondContact OG-NE1 3.19Å; H926-W962 HydrophobicContact CB-CB 4.08Å; R957-W962 HydrophobicContact CG-CH2 4.38Å; R957-W962 HydrophobicContact CG-CZ3 4.19Å; G960-W962 VanDerWaalsContact C-N 3.27Å; G960-W962 PolarHBondContact O-N 2.82Å; G960-W962 PolarHBondContact O-NE1 3.02Å; W962-Y965 AromaticContact CE3-CD1 3.95Å; W962-Y965 HydrophobicContact CE3-CD1 3.95Å; W962-Y965 HydrophobicContact CE3-CG 4.3Å; W962-Y965 HydrophobicContact CZ3-CD1 4.19Å; W962-Y965 HydrophobicContact CZ3-CG 4.5Å; W962-Y965 PolarHBondContact O-N 2.84Å; W962-L966 WeakPolarHBondContact O-CB 3.27Å; W962-L966 VanDerWaalsContact O-CG 3.27Å; W962-L966 WeakPolarHBondContact O-CG 3.46Å; W962-L966 PolarHBondContact O-N 2.76Å; W962-T981 HydrophobicContact CD2-CG2 4.44Å; W962-T981 HydrophobicContact CE3-CG2 3.8Å; W962-T981 HydrophobicContact CZ3-CG2 4.31Å; W962-L985 HydrophobicContact CB-CD1 4.15Å; W962-L985 HydrophobicContact CG-CD2 4.26Å |
| 963 | T | 91.1 | Very high | 91.5 | Very high | 60 Ų | 60 | 37.4 Ų | 37.4 | 37% | 0.368 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -69.5 | -37.1 | 177.3 | 51.1 | 0 | 0 | 0 | 0 | 112.2 | H926 Y961 Y967 | H926-T963 HydrophobicContact CB-CG2 4.15Å; Y961-T963 VanDerWaalsContact C-N 3.31Å; Y961-T963 VanDerWaalsContact CE2-OG1 3.3Å; Y961-T963 WeakPolarHBondContact CE2-OG1 3.44Å; Y961-T963 PolarHBondContact O-N 3.21Å; T963-Y967 PolarHBondContact O-N 2.9Å |
| 964 | G | 90.4 | Very high | 91.4 | Very high | 4 Ų | 4 | 40.3 Ų | 40.3 | 4% | 0.041 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -69 | -43.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y961 Y967 L968 | Y961-G964 PolarHBondContact O-N 3.47Å; Y961-G964 VanDerWaalsContact O-N 3.15Å; G964-Y967 PolarHBondContact O-N 2.93Å; G964-L968 WeakPolarHBondContact O-CG 3.23Å; G964-L968 PolarHBondContact O-N 2.8Å |
| 965 | Y | 93 | Very high | 91.2 | Very high | 10 Ų | 10 | 36.5 Ų | 36.5 | 4% | 0.039 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.2 | -49.7 | 176.1 | 177.8 | -104.8 | 0 | 0 | 0 | 112.3 | N953 R957 Y961 W962 Y967 L968 C969 E977 T981 | N953-Y965 WeakPolarHBondContact ND2-CE2 3.39Å; N953-Y965 WeakPolarHBondContact O-CD2 3.27Å; N953-Y965 WeakPolarHBondContact OD1-CD2 3.46Å; N953-Y965 WeakPolarHBondContact OD1-CE2 3.36Å; N953-Y965 PolarHBondContact OD1-O 2.89Å; R957-Y965 HydrophobicContact CB-CD2 3.76Å; R957-Y965 HydrophobicContact CB-CE2 3.89Å; R957-Y965 HydrophobicContact CG-CD2 4.39Å; R957-Y965 HydrophobicContact CG-CE2 4.14Å; Y961-Y965 PolarHBondContact O-N 2.87Å; W962-Y965 AromaticContact CE3-CD1 3.95Å; W962-Y965 HydrophobicContact CE3-CD1 3.95Å; W962-Y965 HydrophobicContact CE3-CG 4.3Å; W962-Y965 HydrophobicContact CZ3-CD1 4.19Å; W962-Y965 HydrophobicContact CZ3-CG 4.5Å; W962-Y965 PolarHBondContact O-N 2.84Å; Y965-Y967 VanDerWaalsContact C-N 3.32Å; Y965-Y967 PolarHBondContact O-N 3.23Å; Y965-L968 PolarHBondContact O-N 2.7Å; Y965-L968 VanDerWaalsContact O-N 3.15Å; Y965-C969 PolarHBondContact O-N 3.27Å; Y965-E977 PolarHBondContact OH-OE2 3.08Å; Y965-T981 HydrophobicContact CD1-CG2 4.19Å; Y965-T981 HydrophobicContact CE1-CG2 4.25Å; Y965-T981 WeakPolarHBondContact CE1-OG1 3.43Å |
| 966 | L | 92.2 | Very high | 91.1 | Very high | 10 Ų | 10 | 39 Ų | 39 | 5% | 0.052 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.7 | -35.7 | 179.9 | -69.9 | 174.3 | 0 | 0 | 0 | 112.8 | W962 K970 A978 T981 I982 L985 L990 | W962-L966 WeakPolarHBondContact O-CB 3.27Å; W962-L966 VanDerWaalsContact O-CG 3.27Å; W962-L966 WeakPolarHBondContact O-CG 3.46Å; W962-L966 PolarHBondContact O-N 2.76Å; L966-K970 WeakPolarHBondContact O-CB 3.32Å; L966-K970 PolarHBondContact O-N 2.83Å; L966-A978 HydrophobicContact CD2-CB 3.89Å; L966-T981 HydrophobicContact CD2-CG2 4.02Å; L966-T981 HydrophobicContact CG-CG2 4.45Å; L966-I982 HydrophobicContact CD1-CD1 4.3Å; L966-I982 HydrophobicContact CD1-CG1 3.78Å; L966-I982 HydrophobicContact CD2-CD1 4.11Å; L966-I982 HydrophobicContact CD2-CG1 3.82Å; L966-I982 HydrophobicContact CG-CG1 4.47Å; L966-L985 HydrophobicContact CD1-CD1 4.14Å; L966-L990 HydrophobicContact CD1-CD1 3.96Å; L966-L990 HydrophobicContact CD1-CD2 4.3Å |
| 967 | Y | 92.1 | Very high | 90.9 | Very high | 53 Ų | 53 | 43.1 Ų | 43.1 | 21% | 0.208 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.9 | -44.4 | 172.4 | 179.2 | -85.1 | 0 | 0 | 0 | 111.8 | I940 R941 T963 G964 Y965 K970 E971 | I940-Y967 HydrophobicContact CG2-CD1 3.44Å; I940-Y967 VanDerWaalsContact CG2-CD1 3.44Å; I940-Y967 HydrophobicContact CG2-CE1 3.89Å; I940-Y967 HydrophobicContact CG2-CG 4.33Å; R941-Y967 HydrophobicContact CG-CE1 4.31Å; R941-Y967 HydrophobicContact CG-CE2 4.15Å; T963-Y967 PolarHBondContact O-N 2.9Å; G964-Y967 PolarHBondContact O-N 2.93Å; Y965-Y967 VanDerWaalsContact C-N 3.32Å; Y965-Y967 PolarHBondContact O-N 3.23Å; Y967-K970 WeakPolarHBondContact O-CB 3.35Å; Y967-K970 PolarHBondContact O-N 2.93Å; Y967-E971 HydrophobicContact CD1-CG 4.32Å; Y967-E971 HydrophobicContact CE1-CG 3.88Å; Y967-E971 PolarHBondContact O-N 3.35Å |
| 968 | L | 91.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68 | -39.5 | 178.5 | -74.9 | 167 | 0 | 0 | 0 | 112.2 | I940 K949 M952 N953 G964 Y965 K970 E971 L972 | I940-L968 HydrophobicContact CD1-CD1 4.27Å; I940-L968 HydrophobicContact CG1-CD1 4.36Å; I940-L968 HydrophobicContact CG2-CD1 4.06Å; I940-L968 HydrophobicContact CG2-CD2 3.98Å; I940-L968 HydrophobicContact CG2-CG 3.74Å; K949-L968 HydrophobicContact CB-CD2 4.29Å; K949-L968 HydrophobicContact CG-CD2 4.2Å; M952-L968 HydrophobicContact CB-CD1 3.75Å; M952-L968 HydrophobicContact CE-CD2 4.38Å; N953-L968 HydrophobicContact CB-CB 4.07Å; N953-L968 HydrophobicContact CB-CD1 4.33Å; N953-L968 VanDerWaalsContact OD1-CB 3.23Å; N953-L968 WeakPolarHBondContact OD1-CB 3.43Å; G964-L968 WeakPolarHBondContact O-CG 3.23Å; G964-L968 PolarHBondContact O-N 2.8Å; Y965-L968 PolarHBondContact O-N 2.7Å; Y965-L968 VanDerWaalsContact O-N 3.15Å; L968-K970 VanDerWaalsContact C-N 3.32Å; L968-K970 PolarHBondContact O-N 3.43Å; L968-E971 PolarHBondContact O-N 3.35Å; L968-L972 WeakPolarHBondContact O-CB 3.47Å; L968-L972 VanDerWaalsContact O-CG 3.32Å; L968-L972 WeakPolarHBondContact O-CG 3.39Å; L968-L972 PolarHBondContact O-N 3.03Å |
| 969 | C | 91.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.5 | -35.9 | 171.1 | -73.6 | 0 | 0 | 0 | 0 | 112.8 | N953 Y965 Q973 H974 A978 | N953-C969 PolarHBondContact ND2-SG 2.98Å; N953-C969 VanDerWaalsContact ND2-SG 3.37Å; Y965-C969 PolarHBondContact O-N 3.27Å; C969-Q973 CarbonylContact O-C 3.57Å; C969-Q973 PolarHBondContact O-N 3.15Å; C969-Q973 VanDerWaalsContact O-N 3.08Å; C969-H974 HydrophobicContact CB-CB 3.95Å; C969-H974 PolarHBondContact O-N 3.15Å; C969-A978 HydrophobicContact CB-CB 3.98Å |
| 970 | K | 89.6 | Confident | 90.8 | Very high | 57 Ų | 57 | 34.8 Ų | 34.8 | 25% | 0.248 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.6 | -39.7 | 173.9 | 174.5 | 175.8 | 170.1 | 174.7 | 0 | 112.1 | L966 Y967 L968 Q973 D995 G996 V997 | L966-K970 WeakPolarHBondContact O-CB 3.32Å; L966-K970 PolarHBondContact O-N 2.83Å; Y967-K970 WeakPolarHBondContact O-CB 3.35Å; Y967-K970 PolarHBondContact O-N 2.93Å; L968-K970 VanDerWaalsContact C-N 3.32Å; L968-K970 PolarHBondContact O-N 3.43Å; K970-Q973 PolarHBondContact O-NE2 3.02Å; K970-D995 PolarHBondContact NZ-O 3.26Å; K970-G996 WeakPolarHBondContact CE-O 3.32Å; K970-G996 PolarHBondContact NZ-O 3.36Å; K970-V997 HydrophobicContact CB-CG2 4.38Å; K970-V997 HydrophobicContact CD-CG2 4.47Å |
| 971 | E | 89.9 | Confident | 90.8 | Very high | 87 Ų | 87 | 35.3 Ų | 35.3 | 41% | 0.407 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -69.3 | -47.4 | 174.6 | -79.4 | -76 | 108.2 | 0 | 0 | 112.4 | K949 Y967 L968 Q973 | K949-E971 HydrophobicContact CD-CB 4.46Å; K949-E971 IonicContact NZ-OE2 3.55Å; K949-E971 PolarHBondContact NZ-OE2 2.91Å; Y967-E971 HydrophobicContact CD1-CG 4.32Å; Y967-E971 HydrophobicContact CE1-CG 3.88Å; Y967-E971 PolarHBondContact O-N 3.35Å; L968-E971 PolarHBondContact O-N 3.35Å; E971-Q973 PolarHBondContact O-N 3.23Å; E971-Q973 PolarHBondContact O-NE2 2.86Å |
| 972 | L | 90.6 | Very high | 90.6 | Very high | 28 Ų | 28 | 34.8 Ų | 34.8 | 15% | 0.147 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -72.7 | -7 | -179.7 | -69.6 | 169.8 | 0 | 0 | 0 | 114.1 | I946 K949 E950 N953 L968 H974 | I946-L972 HydrophobicContact CG2-CD2 4.03Å; K949-L972 HydrophobicContact CB-CD1 4.42Å; K949-L972 HydrophobicContact CB-CD2 3.81Å; K949-L972 HydrophobicContact CB-CG 4.23Å; E950-L972 HydrophobicContact CG-CD1 4.36Å; E950-L972 HydrophobicContact CG-CD2 4.19Å; N953-L972 HydrophobicContact CB-CD1 4.02Å; L968-L972 WeakPolarHBondContact O-CB 3.47Å; L968-L972 VanDerWaalsContact O-CG 3.32Å; L968-L972 WeakPolarHBondContact O-CG 3.39Å; L968-L972 PolarHBondContact O-N 3.03Å; L972-H974 VanDerWaalsContact C-N 3.27Å; L972-H974 PolarHBondContact O-CD2 3.45Å; L972-H974 PolarHBondContact O-N 2.99Å |
| 973 | Q | 88.6 | Confident | 90.4 | Very high | 119 Ų | 119 | 35.1 Ų | 35.1 | 56% | 0.556 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.3 | 22.4 | -171.5 | -49.9 | -52.7 | -54.6 | 0 | 0 | 114.9 | C969 K970 E971 R975 | C969-Q973 CarbonylContact O-C 3.57Å; C969-Q973 PolarHBondContact O-N 3.15Å; C969-Q973 VanDerWaalsContact O-N 3.08Å; K970-Q973 PolarHBondContact O-NE2 3.02Å; E971-Q973 PolarHBondContact O-N 3.23Å; E971-Q973 PolarHBondContact O-NE2 2.86Å; Q973-R975 PolarHBondContact O-N 3.21Å |
| 974 | H | 91.1 | Very high | 90.2 | Very high | 67 Ų | 67 | 33.7 Ų | 33.7 | 31% | 0.31 | 17% | 0.167 | S | C | . | . | trans | -75.9 | 53.1 | 173 | -74.4 | -144.3 | 0 | 0 | 0 | 111.6 | C969 L972 T976 E977 A978 | C969-H974 HydrophobicContact CB-CB 3.95Å; C969-H974 PolarHBondContact O-N 3.15Å; L972-H974 VanDerWaalsContact C-N 3.27Å; L972-H974 PolarHBondContact O-CD2 3.45Å; L972-H974 PolarHBondContact O-N 2.99Å; H974-T976 PolarHBondContact O-N 3.11Å; H974-E977 HydrophobicContact CB-CB 4.37Å; H974-E977 HydrophobicContact CB-CG 4.4Å; H974-E977 IonicContact CE1-OE2 3.52Å; H974-E977 IonicContact CG-OE2 2.82Å; H974-E977 IonicContact ND1-OE1 3.17Å; H974-E977 PolarHBondContact ND1-OE1 3.11Å; H974-E977 IonicContact ND1-OE2 3.42Å; H974-E977 PolarHBondContact ND1-OE2 3.2Å; H974-E977 PolarHBondContact O-N 3.47Å; H974-A978 PolarHBondContact O-N 2.84Å; H974-A978 VanDerWaalsContact O-N 3.11Å | ||
| 975 | R | 88.8 | Confident | 90 | Very high | 21 Ų | 21 | 33.5 Ų | 33.5 | 8% | 0.079 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.7 | -35.5 | -168.3 | -61.5 | 179.2 | 62.1 | 67.2 | 5.4 | 112.5 | Q973 E977 A978 F979 E998 E1004 | Q973-R975 PolarHBondContact O-N 3.21Å; R975-E977 PolarHBondContact O-N 3.38Å; R975-A978 PolarHBondContact O-N 2.87Å; R975-F979 HydrophobicContact CB-CE2 4.12Å; R975-F979 WeakPolarHBondContact O-CD2 3.34Å; R975-F979 WeakPolarHBondContact O-CG 3.43Å; R975-F979 PolarHBondContact O-N 3.29Å; R975-E998 PolarHBondContact NH2-O 3.12Å; R975-E1004 IonicContact CZ-OE1 2.8Å; R975-E1004 IonicContact CZ-OE2 2.63Å; R975-E1004 VanDerWaalsContact NE-CD 3.3Å; R975-E1004 IonicContact NE-OE1 3.8Å; R975-E1004 PolarHBondContact NE-OE1 3.11Å; R975-E1004 IonicContact NE-OE2 3.96Å; R975-E1004 PolarHBondContact NE-OE2 2.87Å; R975-E1004 IonicContact NH2-OE1 2.96Å; R975-E1004 IonicContact NH2-OE2 3.8Å; R975-E1004 PolarHBondContact NH2-OE2 3.48Å |
| 976 | T | 89.6 | Confident | 89.7 | Confident | 87 Ų | 87 | 34.4 Ų | 34.4 | 53% | 0.534 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -58.9 | -44.1 | 173.3 | -53.7 | 0 | 0 | 0 | 0 | 112.4 | H974 S980 L1007 | H974-T976 PolarHBondContact O-N 3.11Å; T976-S980 PolarHBondContact O-N 3.45Å; T976-S980 VanDerWaalsContact O-N 3.11Å; T976-L1007 HydrophobicContact CG2-CD2 4.15Å |
| 977 | E | 89.7 | Confident | 89.3 | Confident | 85 Ų | 85 | 34.5 Ų | 34.5 | 40% | 0.397 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -67.5 | -47.4 | -179.9 | -59.2 | 177.7 | 176.6 | 0 | 0 | 110.1 | Y965 H974 R975 F979 S980 T981 | Y965-E977 PolarHBondContact OH-OE2 3.08Å; H974-E977 HydrophobicContact CB-CB 4.37Å; H974-E977 HydrophobicContact CB-CG 4.4Å; H974-E977 IonicContact CE1-OE2 3.52Å; H974-E977 IonicContact CG-OE2 2.82Å; H974-E977 IonicContact ND1-OE1 3.17Å; H974-E977 PolarHBondContact ND1-OE1 3.11Å; H974-E977 IonicContact ND1-OE2 3.42Å; H974-E977 PolarHBondContact ND1-OE2 3.2Å; H974-E977 PolarHBondContact O-N 3.47Å; R975-E977 PolarHBondContact O-N 3.38Å; E977-F979 PolarHBondContact O-N 2.94Å; E977-S980 WeakPolarHBondContact O-CB 3.49Å; E977-S980 PolarHBondContact O-N 3.37Å; E977-S980 VanDerWaalsContact O-N 3.07Å; E977-T981 PolarHBondContact O-N 2.84Å; E977-T981 PolarHBondContact O-OG1 3.27Å |
| 978 | A | 90.8 | Very high | 89 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -55.8 | -45.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L966 C969 H974 R975 S980 T981 I982 V997 | L966-A978 HydrophobicContact CD2-CB 3.89Å; C969-A978 HydrophobicContact CB-CB 3.98Å; H974-A978 PolarHBondContact O-N 2.84Å; H974-A978 VanDerWaalsContact O-N 3.11Å; R975-A978 PolarHBondContact O-N 2.87Å; A978-S980 VanDerWaalsContact C-N 3.34Å; A978-S980 PolarHBondContact O-N 3.1Å; A978-T981 PolarHBondContact O-N 2.98Å; A978-I982 WeakPolarHBondContact O-CB 3.42Å; A978-I982 VanDerWaalsContact O-CG1 3.23Å; A978-I982 WeakPolarHBondContact O-CG1 3.4Å; A978-I982 PolarHBondContact O-N 3.49Å; A978-V997 HydrophobicContact CB-CG1 4.28Å; A978-V997 HydrophobicContact CB-CG2 4.46Å |
| 979 | F | 90.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.3 | -35.4 | 176.3 | -65.9 | -46 | 0 | 0 | 0 | 112.9 | R975 E977 C983 L991 V997 P999 E1004 L1007 L1008 L1011 | R975-F979 HydrophobicContact CB-CE2 4.12Å; R975-F979 WeakPolarHBondContact O-CD2 3.34Å; R975-F979 WeakPolarHBondContact O-CG 3.43Å; R975-F979 PolarHBondContact O-N 3.29Å; E977-F979 PolarHBondContact O-N 2.94Å; F979-C983 PolarHBondContact O-N 3.25Å; F979-C983 PolarHBondContact O-SG 2.77Å; F979-L991 HydrophobicContact CD1-CD2 4.19Å; F979-L991 HydrophobicContact CE1-CD2 4.1Å; F979-V997 HydrophobicContact CE1-CG1 4.13Å; F979-V997 WeakPolarHBondContact CE1-O 3.07Å; F979-V997 HydrophobicContact CZ-CG1 4.45Å; F979-P999 HydrophobicContact CE1-CB 4.31Å; F979-P999 HydrophobicContact CE1-CG 3.84Å; F979-P999 HydrophobicContact CZ-CB 3.94Å; F979-P999 HydrophobicContact CZ-CG 3.99Å; F979-E1004 HydrophobicContact CE2-CB 3.9Å; F979-E1004 HydrophobicContact CE2-CG 3.91Å; F979-E1004 HydrophobicContact CZ-CB 4.26Å; F979-E1004 HydrophobicContact CZ-CG 4.48Å; F979-L1007 HydrophobicContact CD2-CD2 4.21Å; F979-L1008 HydrophobicContact CB-CD1 4.2Å; F979-L1008 HydrophobicContact CD1-CD1 4.04Å; F979-L1008 HydrophobicContact CG-CD1 4.35Å; F979-L1011 HydrophobicContact CB-CD1 3.81Å |
| 980 | S | 90 | Very high | 88.4 | Confident | 29 Ų | 29 | 35.7 Ų | 35.7 | 20% | 0.203 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.7 | -49.5 | 175.8 | -145.1 | 0 | 0 | 0 | 0 | 111 | T976 E977 A978 I982 C983 E984 Y1015 | T976-S980 PolarHBondContact O-N 3.45Å; T976-S980 VanDerWaalsContact O-N 3.11Å; E977-S980 WeakPolarHBondContact O-CB 3.49Å; E977-S980 PolarHBondContact O-N 3.37Å; E977-S980 VanDerWaalsContact O-N 3.07Å; A978-S980 VanDerWaalsContact C-N 3.34Å; A978-S980 PolarHBondContact O-N 3.1Å; S980-I982 PolarHBondContact O-N 3.27Å; S980-C983 WeakPolarHBondContact O-CB 3.46Å; S980-C983 PolarHBondContact O-N 3.09Å; S980-E984 PolarHBondContact O-N 3.49Å; S980-Y1015 PolarHBondContact OG-OH 3.25Å |
| 981 | T | 89.7 | Confident | 88.2 | Confident | 10 Ų | 10 | 33.2 Ų | 33.2 | 6% | 0.061 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.8 | -42.5 | 176.7 | -62.6 | 0 | 0 | 0 | 0 | 112 | P921 W962 Y965 L966 E977 A978 C983 E984 L985 | P921-T981 HydrophobicContact CG-CG2 4.2Å; W962-T981 HydrophobicContact CD2-CG2 4.44Å; W962-T981 HydrophobicContact CE3-CG2 3.8Å; W962-T981 HydrophobicContact CZ3-CG2 4.31Å; Y965-T981 HydrophobicContact CD1-CG2 4.19Å; Y965-T981 HydrophobicContact CE1-CG2 4.25Å; Y965-T981 WeakPolarHBondContact CE1-OG1 3.43Å; L966-T981 HydrophobicContact CD2-CG2 4.02Å; L966-T981 HydrophobicContact CG-CG2 4.45Å; E977-T981 PolarHBondContact O-N 2.84Å; E977-T981 PolarHBondContact O-OG1 3.27Å; A978-T981 PolarHBondContact O-N 2.98Å; T981-C983 VanDerWaalsContact C-N 3.3Å; T981-C983 PolarHBondContact O-N 3Å; T981-E984 PolarHBondContact O-N 2.81Å; T981-L985 HydrophobicContact CG2-CD1 3.9Å; T981-L985 HydrophobicContact CG2-CG 4.35Å; T981-L985 WeakPolarHBondContact O-CB 3.39Å; T981-L985 VanDerWaalsContact O-CG 3.26Å; T981-L985 WeakPolarHBondContact O-CG 3.3Å; T981-L985 PolarHBondContact O-N 2.87Å |
| 982 | I | 89.6 | Confident | 87.6 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.8 | -38.1 | 175.8 | -71.2 | 168.1 | 0 | 0 | 0 | 111.3 | L966 A978 S980 L985 D986 L990 L991 V997 I1043 | L966-I982 HydrophobicContact CD1-CD1 4.3Å; L966-I982 HydrophobicContact CD1-CG1 3.78Å; L966-I982 HydrophobicContact CD2-CD1 4.11Å; L966-I982 HydrophobicContact CD2-CG1 3.82Å; L966-I982 HydrophobicContact CG-CG1 4.47Å; A978-I982 WeakPolarHBondContact O-CB 3.42Å; A978-I982 VanDerWaalsContact O-CG1 3.23Å; A978-I982 WeakPolarHBondContact O-CG1 3.4Å; A978-I982 PolarHBondContact O-N 3.49Å; S980-I982 PolarHBondContact O-N 3.27Å; I982-L985 PolarHBondContact O-N 3.48Å; I982-D986 PolarHBondContact O-N 3.32Å; I982-L990 HydrophobicContact CD1-CB 4.03Å; I982-L990 HydrophobicContact CG1-CB 3.96Å; I982-L990 HydrophobicContact CG1-CD1 4.09Å; I982-L990 HydrophobicContact CG2-CB 4.26Å; I982-L991 HydrophobicContact CD1-CD2 3.85Å; I982-L991 HydrophobicContact CG2-CD1 4.5Å; I982-L991 HydrophobicContact CG2-CD2 4.12Å; I982-L991 HydrophobicContact CG2-CG 4.11Å; I982-V997 HydrophobicContact CD1-CB 4.06Å; I982-V997 HydrophobicContact CD1-CG2 4.11Å; I982-I1043 HydrophobicContact CG2-CD1 3.69Å; I982-I1043 WeakPolarHBondContact O-CD1 3.49Å |
| 983 | C | 87.4 | Confident | 87 | Confident | 11 Ų | 11 | 36.6 Ų | 36.6 | 7% | 0.074 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.7 | -34 | 174.7 | -68.2 | 0 | 0 | 0 | 0 | 113.4 | F979 S980 T981 Y1015 | F979-C983 PolarHBondContact O-N 3.25Å; F979-C983 PolarHBondContact O-SG 2.77Å; S980-C983 WeakPolarHBondContact O-CB 3.46Å; S980-C983 PolarHBondContact O-N 3.09Å; T981-C983 VanDerWaalsContact C-N 3.3Å; T981-C983 PolarHBondContact O-N 3Å; C983-Y1015 HydrophobicContact CB-CD2 3.5Å; C983-Y1015 HydrophobicContact CB-CE2 4.05Å; C983-Y1015 HydrophobicContact CB-CG 4.23Å |
| 984 | E | 86 | Confident | 86 | Confident | 30 Ų | 30 | 36.8 Ų | 36.8 | 14% | 0.14 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -75.2 | -27.8 | 175.2 | -69.7 | 175.5 | 153 | 0 | 0 | 112.6 | R920 P921 S980 T981 Y1015 | R920-E984 IonicContact CZ-OE1 2.75Å; R920-E984 IonicContact NH1-OE1 3.82Å; R920-E984 PolarHBondContact NH1-OE1 3.2Å; P921-E984 WeakPolarHBondContact CD-OE2 3.29Å; P921-E984 HydrophobicContact CG-CB 3.56Å; P921-E984 HydrophobicContact CG-CG 4.4Å; P921-E984 VanDerWaalsContact CG-OE2 3.24Å; P921-E984 WeakPolarHBondContact CG-OE2 3.38Å; S980-E984 PolarHBondContact O-N 3.49Å; T981-E984 PolarHBondContact O-N 2.81Å; E984-Y1015 HydrophobicContact CG-CD1 3.7Å; E984-Y1015 HydrophobicContact CG-CD2 4.49Å; E984-Y1015 HydrophobicContact CG-CE1 3.2Å; E984-Y1015 HydrophobicContact CG-CE2 4.09Å; E984-Y1015 HydrophobicContact CG-CG 4.3Å; E984-Y1015 WeakPolarHBondContact OE1-CE1 3.23Å; E984-Y1015 PolarHBondContact OE1-OH 3.36Å |
| 985 | L | 87.2 | Confident | 84.9 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -77.4 | -22.5 | 175 | -69.3 | 170.4 | 0 | 0 | 0 | 113.9 | P921 R922 R924 S925 H926 W962 L966 T981 I982 L990 | P921-L985 HydrophobicContact CB-CD2 3.77Å; P921-L985 HydrophobicContact CB-CG 4.17Å; R922-L985 WeakPolarHBondContact O-CD2 3.2Å; R924-L985 WeakPolarHBondContact CG-O 3.29Å; R924-L985 PolarHBondContact N-O 3.01Å; S925-L985 VanDerWaalsContact OG-CD2 3.29Å; S925-L985 WeakPolarHBondContact OG-CD2 3.45Å; H926-L985 HydrophobicContact CB-CD1 4.14Å; H926-L985 HydrophobicContact CB-CD2 4.33Å; W962-L985 HydrophobicContact CB-CD1 4.15Å; W962-L985 HydrophobicContact CG-CD2 4.26Å; L966-L985 HydrophobicContact CD1-CD1 4.14Å; T981-L985 HydrophobicContact CG2-CD1 3.9Å; T981-L985 HydrophobicContact CG2-CG 4.35Å; T981-L985 WeakPolarHBondContact O-CB 3.39Å; T981-L985 VanDerWaalsContact O-CG 3.26Å; T981-L985 WeakPolarHBondContact O-CG 3.3Å; T981-L985 PolarHBondContact O-N 2.87Å; I982-L985 PolarHBondContact O-N 3.48Å; L985-L990 HydrophobicContact CB-CD1 4.29Å; L985-L990 HydrophobicContact CD1-CD1 3.72Å |
| 986 | D | 85.8 | Confident | 84.6 | Confident | 29 Ų | 29 | 37 Ų | 37 | 16% | 0.155 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 51.4 | -177.3 | -175.5 | 34.5 | 0 | 0 | 0 | 113.6 | W923 R924 I982 R1042 I1043 | W923-D986 VanDerWaalsContact CD1-CB 3.49Å; W923-D986 PolarHBondContact NE1-OD2 3.02Å; R924-D986 PolarHBondContact NH2-O 3Å; I982-D986 PolarHBondContact O-N 3.32Å; D986-R1042 WeakPolarHBondContact OD1-CA 3.3Å; D986-R1042 WeakPolarHBondContact OD1-CB 3.42Å; D986-R1042 WeakPolarHBondContact OD2-CD 3.48Å; D986-R1042 WeakPolarHBondContact OD2-CG 3.46Å; D986-R1042 IonicContact OD2-NH1 2.75Å; D986-I1043 PolarHBondContact OD1-N 3.35Å |
| 987 | D | 85 | Confident | 84.4 | Confident | 11 Ų | 11 | 33.1 Ų | 33.1 | 6% | 0.059 | 19% | 0.187 | C | C | . | . | trans | -136.7 | 117 | 173.6 | -155.8 | -29.1 | 0 | 0 | 0 | 112.9 | R924 H926 S989 L990 G1041 | R924-D987 IonicContact CZ-OD2 3.31Å; R924-D987 VanDerWaalsContact CZ-OD2 3.31Å; R924-D987 IonicContact NH1-OD2 3.02Å; R924-D987 PolarHBondContact NH1-OD2 2.83Å; R924-D987 IonicContact NH2-OD1 3.78Å; R924-D987 IonicContact NH2-OD2 2.85Å; R924-D987 PolarHBondContact NH2-OD2 3.27Å; H926-D987 VanDerWaalsContact CE1-CB 3.44Å; H926-D987 WeakPolarHBondContact CE1-CB 3.5Å; H926-D987 IonicContact CE1-OD2 3.54Å; H926-D987 IonicContact NE2-OD2 3.5Å; H926-D987 PolarHBondContact NE2-OD2 2.84Å; D987-S989 VanDerWaalsContact C-N 3.33Å; D987-S989 WeakPolarHBondContact OD1-CB 3.47Å; D987-S989 PolarHBondContact OD1-N 3.26Å; D987-S989 PolarHBondContact OD1-OG 2.64Å; D987-S989 PolarHBondContact OD2-OG 2.96Å; D987-L990 HydrophobicContact CB-CD1 4.15Å; D987-L990 HydrophobicContact CB-CG 4.33Å; D987-G1041 WeakPolarHBondContact CA-O 3.27Å | ||
| 988 | L | 84.5 | Confident | 84.2 | Confident | 19 Ų | 19 | 34.2 Ų | 34.2 | 10% | 0.099 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -72.2 | -25.1 | -179.8 | -161.7 | 80.1 | 0 | 0 | 0 | 112.6 | L990 L991 G1041 I1043 L1048 L1051 | L988-L990 PolarHBondContact O-N 3.12Å; L988-L991 HydrophobicContact CD1-CD1 4.21Å; L988-L991 WeakPolarHBondContact O-CB 3.44Å; L988-L991 PolarHBondContact O-N 3.39Å; L988-G1041 WeakPolarHBondContact CB-O 3.42Å; L988-G1041 PolarHBondContact N-O 3.43Å; L988-I1043 HydrophobicContact CD1-CG1 4.38Å; L988-L1048 HydrophobicContact CD1-CD2 4.06Å; L988-L1051 HydrophobicContact CD1-CD2 4.26Å |
| 989 | S | 85.2 | Confident | 84 | Confident | 40 Ų | 40 | 34.3 Ų | 34.3 | 28% | 0.28 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -57.7 | -35.5 | -179.4 | 56.2 | 0 | 0 | 0 | 0 | 112.4 | D987 L991 E992 D993 | D987-S989 VanDerWaalsContact C-N 3.33Å; D987-S989 WeakPolarHBondContact OD1-CB 3.47Å; D987-S989 PolarHBondContact OD1-N 3.26Å; D987-S989 PolarHBondContact OD1-OG 2.64Å; D987-S989 PolarHBondContact OD2-OG 2.96Å; S989-L991 PolarHBondContact O-N 2.99Å; S989-E992 PolarHBondContact O-N 3.23Å; S989-D993 WeakPolarHBondContact O-CB 3.14Å; S989-D993 PolarHBondContact O-N 2.63Å |
| 990 | L | 86.3 | Confident | 83.7 | Confident | 20 Ų | 20 | 41.2 Ų | 41.2 | 11% | 0.105 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.5 | -12 | 176.1 | -57.9 | 174 | 0 | 0 | 0 | 114 | L966 I982 L985 D987 L988 G996 V997 | L966-L990 HydrophobicContact CD1-CD1 3.96Å; L966-L990 HydrophobicContact CD1-CD2 4.3Å; I982-L990 HydrophobicContact CD1-CB 4.03Å; I982-L990 HydrophobicContact CG1-CB 3.96Å; I982-L990 HydrophobicContact CG1-CD1 4.09Å; I982-L990 HydrophobicContact CG2-CB 4.26Å; L985-L990 HydrophobicContact CB-CD1 4.29Å; L985-L990 HydrophobicContact CD1-CD1 3.72Å; D987-L990 HydrophobicContact CB-CD1 4.15Å; D987-L990 HydrophobicContact CB-CG 4.33Å; L988-L990 PolarHBondContact O-N 3.12Å; L990-G996 CarbonylContact O-C 3.56Å; L990-G996 VanDerWaalsContact O-CA 3.29Å; L990-G996 WeakPolarHBondContact O-CA 3.45Å; L990-V997 PolarHBondContact O-N 3.32Å |
| 991 | L | 85.1 | Confident | 83.5 | Confident | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -103.3 | -26.3 | 173 | -57.5 | 174.6 | 0 | 0 | 0 | 113.8 | F979 I982 L988 S989 V997 L1008 L1051 | F979-L991 HydrophobicContact CD1-CD2 4.19Å; F979-L991 HydrophobicContact CE1-CD2 4.1Å; I982-L991 HydrophobicContact CD1-CD2 3.85Å; I982-L991 HydrophobicContact CG2-CD1 4.5Å; I982-L991 HydrophobicContact CG2-CD2 4.12Å; I982-L991 HydrophobicContact CG2-CG 4.11Å; L988-L991 HydrophobicContact CD1-CD1 4.21Å; L988-L991 WeakPolarHBondContact O-CB 3.44Å; L988-L991 PolarHBondContact O-N 3.39Å; S989-L991 PolarHBondContact O-N 2.99Å; L991-V997 VanDerWaalsContact CD2-O 3.29Å; L991-V997 WeakPolarHBondContact CD2-O 3.49Å; L991-L1008 HydrophobicContact CD1-CD2 3.78Å; L991-L1051 HydrophobicContact CB-CD2 4.36Å; L991-L1051 HydrophobicContact CD1-CD2 4.28Å |
| 992 | E | 79 | Confident | 83.3 | Confident | 95 Ų | 95 | 46.6 Ų | 46.6 | 44% | 0.444 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -97.8 | -22.9 | -177.1 | -67.8 | -156.7 | 120.5 | 0 | 0 | 113.9 | S989 L1051 R1054 | S989-E992 PolarHBondContact O-N 3.23Å; E992-L1051 HydrophobicContact CG-CD1 3.72Å; E992-L1051 WeakPolarHBondContact OE1-CD1 3.4Å; E992-R1054 IonicContact OE1-CZ 3.7Å; E992-R1054 IonicContact OE1-NH1 3.23Å; E992-R1054 PolarHBondContact OE1-NH1 3Å; E992-R1054 IonicContact OE2-NH1 3.83Å |
| 993 | D | 78 | Confident | 83.1 | Confident | 91 Ų | 91 | 52 Ų | 52 | 49% | 0.487 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -64 | 151.5 | -179.1 | -87.3 | -24.2 | 0 | 0 | 0 | 112.9 | S989 D995 G996 | S989-D993 WeakPolarHBondContact O-CB 3.14Å; S989-D993 PolarHBondContact O-N 2.63Å; D993-D995 VanDerWaalsContact C-N 3.26Å; D993-D995 PolarHBondContact O-N 3.23Å; D993-G996 WeakPolarHBondContact O-CA 3.46Å; D993-G996 PolarHBondContact O-N 3.01Å |
| 994 | P | 66.9 | Low | 83.1 | Confident | 124 Ų | 124 | 52.8 Ų | 52.8 | 81% | 0.805 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -31.4 | -177.6 | 24.3 | -34.6 | 0 | 0 | 0 | 113.7 | ||
| 995 | D | 68.3 | Low | 83.2 | Confident | 79 Ų | 79 | 51.7 Ų | 51.7 | 42% | 0.422 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -4.9 | 173 | -79.6 | -33.8 | 0 | 0 | 0 | 113 | R941 K970 D993 | R941-D995 IonicContact CZ-OD2 3.83Å; R941-D995 IonicContact NH1-OD1 3.91Å; R941-D995 IonicContact NH1-OD2 2.64Å; R941-D995 PolarHBondContact NH1-OD2 2.95Å; R941-D995 VanDerWaalsContact NH1-OD2 3.08Å; R941-D995 IonicContact NH2-OD2 3.55Å; R941-D995 PolarHBondContact NH2-OD2 3.32Å; K970-D995 PolarHBondContact NZ-O 3.26Å; D993-D995 VanDerWaalsContact C-N 3.26Å; D993-D995 PolarHBondContact O-N 3.23Å |
| 996 | G | 81 | Confident | 83.1 | Confident | 14 Ų | 14 | 54.3 Ų | 54.3 | 14% | 0.144 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -73.7 | -177.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | K970 L990 D993 | K970-G996 WeakPolarHBondContact CE-O 3.32Å; K970-G996 PolarHBondContact NZ-O 3.36Å; L990-G996 CarbonylContact O-C 3.56Å; L990-G996 VanDerWaalsContact O-CA 3.29Å; L990-G996 WeakPolarHBondContact O-CA 3.45Å; D993-G996 WeakPolarHBondContact O-CA 3.46Å; D993-G996 PolarHBondContact O-N 3.01Å |
| 997 | V | 85.3 | Confident | 83.2 | Confident | 4 Ų | 4 | 55.1 Ų | 55.1 | 2% | 0.024 | 29% | 0.292 | C | S | . | . | trans | -112.1 | 63.6 | -168.1 | -163.6 | 0 | 0 | 0 | 0 | 112 | K970 A978 F979 I982 L990 L991 | K970-V997 HydrophobicContact CB-CG2 4.38Å; K970-V997 HydrophobicContact CD-CG2 4.47Å; A978-V997 HydrophobicContact CB-CG1 4.28Å; A978-V997 HydrophobicContact CB-CG2 4.46Å; F979-V997 HydrophobicContact CE1-CG1 4.13Å; F979-V997 WeakPolarHBondContact CE1-O 3.07Å; F979-V997 HydrophobicContact CZ-CG1 4.45Å; I982-V997 HydrophobicContact CD1-CB 4.06Å; I982-V997 HydrophobicContact CD1-CG2 4.11Å; L990-V997 PolarHBondContact O-N 3.32Å; L991-V997 VanDerWaalsContact CD2-O 3.29Å; L991-V997 WeakPolarHBondContact CD2-O 3.49Å | ||
| 998 | E | 86.4 | Confident | 83.3 | Confident | 108 Ų | 108 | 54.6 Ų | 54.6 | 51% | 0.505 | 29% | 0.289 | S | S | . | . | trans | -57.8 | 134.2 | 176.6 | -169.6 | -173.5 | -169.3 | 0 | 0 | 111.7 | R975 T1055 | R975-E998 PolarHBondContact NH2-O 3.12Å; E998-T1055 WeakPolarHBondContact OE1-CG2 3.48Å | ||
| 999 | P | 86.9 | Confident | 83.3 | Confident | 3 Ų | 3 | 53.9 Ų | 53.9 | 2% | 0.019 | 29% | 0.285 | C | S | . | . | trans | -72.2 | 123.5 | 175.1 | -14 | 28 | 0 | 0 | 0 | 113.4 | F979 E1004 W1005 L1008 | F979-P999 HydrophobicContact CE1-CB 4.31Å; F979-P999 HydrophobicContact CE1-CG 3.84Å; F979-P999 HydrophobicContact CZ-CB 3.94Å; F979-P999 HydrophobicContact CZ-CG 3.99Å; P999-E1004 WeakPolarHBondContact CA-OE2 3.47Å; P999-E1004 HydrophobicContact CB-CB 3.99Å; P999-W1005 HydrophobicContact CB-CD2 3.86Å; P999-W1005 HydrophobicContact CB-CE3 4.38Å; P999-W1005 HydrophobicContact CB-CG 4.14Å; P999-W1005 HydrophobicContact CB-CH2 4.44Å; P999-W1005 HydrophobicContact CB-CZ2 3.96Å; P999-W1005 HydrophobicContact CG-CD2 4.04Å; P999-W1005 HydrophobicContact CG-CE3 4.08Å; P999-W1005 HydrophobicContact CG-CH2 3.77Å; P999-W1005 HydrophobicContact CG-CZ2 3.76Å; P999-W1005 HydrophobicContact CG-CZ3 3.96Å; P999-W1005 PolarHBondContact O-NE1 3.33Å; P999-W1005 VanDerWaalsContact O-NE1 3.08Å; P999-L1008 HydrophobicContact CG-CD2 3.77Å | ||
| 1000 | Q | 83.7 | Confident | 83.3 | Confident | 145 Ų | 145 | 56.6 Ų | 56.6 | 68% | 0.678 | 29% | 0.294 | S | S | * | . | trans | -91.8 | -17.8 | -166.9 | -65.3 | -179.5 | 15.1 | 0 | 0 | 114.5 | E1004 | Q1000-E1004 PolarHBondContact N-OE2 3.32Š| ||
| 1001 | N | 86.8 | Confident | 83.2 | Confident | 66 Ų | 66 | 56.4 Ų | 56.4 | 35% | 0.353 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -144.7 | 165.7 | -173.7 | 64.1 | 69.2 | 0 | 0 | 0 | 112.1 | D1003 E1004 W1005 | N1001-D1003 PolarHBondContact O-N 3Å; N1001-D1003 PolarHBondContact OD1-N 3.49Å; N1001-D1003 VanDerWaalsContact OD1-N 3.13Å; N1001-E1004 WeakPolarHBondContact ND2-CG 3.49Å; N1001-E1004 PolarHBondContact ND2-OE1 3.36Å; N1001-E1004 PolarHBondContact O-N 2.95Å; N1001-E1004 WeakPolarHBondContact OD1-CG 3.24Å; N1001-E1004 PolarHBondContact OD1-N 3.28Å; N1001-W1005 PolarHBondContact O-N 3.24Å; N1001-W1005 VanDerWaalsContact O-N 3.11Å |
| 1002 | L | 84.1 | Confident | 83.2 | Confident | 85 Ų | 85 | 56.5 Ų | 56.5 | 45% | 0.445 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.1 | -29.6 | -174.5 | -63.4 | -178.8 | 0 | 0 | 0 | 113.4 | W1005 K1006 L1056 L1064 | L1002-W1005 PolarHBondContact O-N 2.95Å; L1002-K1006 VanDerWaalsContact O-CG 3.26Å; L1002-K1006 WeakPolarHBondContact O-CG 3.42Å; L1002-K1006 PolarHBondContact O-N 3.05Å; L1002-L1056 HydrophobicContact CD2-CD1 3.49Å; L1002-L1056 VanDerWaalsContact CD2-CD1 3.49Å; L1002-L1056 HydrophobicContact CD2-CD2 4.46Å; L1002-L1064 HydrophobicContact CD2-CD1 3.91Å; L1002-L1064 HydrophobicContact CD2-CD2 4.36Å |
| 1003 | D | 85.3 | Confident | 83.2 | Confident | 115 Ų | 115 | 54.1 Ų | 54.1 | 62% | 0.615 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -80 | -34 | -176.9 | -57.7 | -51.5 | 0 | 0 | 0 | 111.1 | N1001 K1006 L1007 | N1001-D1003 PolarHBondContact O-N 3Å; N1001-D1003 PolarHBondContact OD1-N 3.49Å; N1001-D1003 VanDerWaalsContact OD1-N 3.13Å; D1003-K1006 PolarHBondContact O-N 2.91Å; D1003-L1007 VanDerWaalsContact O-CB 3.3Å; D1003-L1007 WeakPolarHBondContact O-CB 3.41Å; D1003-L1007 PolarHBondContact O-N 2.64Å |
| 1004 | E | 88.5 | Confident | 83.3 | Confident | 26 Ų | 26 | 55 Ų | 55 | 12% | 0.121 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.6 | -41.7 | 166.4 | -71.5 | 176.8 | -166.7 | 0 | 0 | 112.3 | R975 F979 P999 Q1000 N1001 K1006 L1007 L1008 | R975-E1004 IonicContact CZ-OE1 2.8Å; R975-E1004 IonicContact CZ-OE2 2.63Å; R975-E1004 VanDerWaalsContact NE-CD 3.3Å; R975-E1004 IonicContact NE-OE1 3.8Å; R975-E1004 PolarHBondContact NE-OE1 3.11Å; R975-E1004 IonicContact NE-OE2 3.96Å; R975-E1004 PolarHBondContact NE-OE2 2.87Å; R975-E1004 IonicContact NH2-OE1 2.96Å; R975-E1004 IonicContact NH2-OE2 3.8Å; R975-E1004 PolarHBondContact NH2-OE2 3.48Å; F979-E1004 HydrophobicContact CE2-CB 3.9Å; F979-E1004 HydrophobicContact CE2-CG 3.91Å; F979-E1004 HydrophobicContact CZ-CB 4.26Å; F979-E1004 HydrophobicContact CZ-CG 4.48Å; P999-E1004 WeakPolarHBondContact CA-OE2 3.47Å; P999-E1004 HydrophobicContact CB-CB 3.99Å; Q1000-E1004 PolarHBondContact N-OE2 3.32Å; N1001-E1004 WeakPolarHBondContact ND2-CG 3.49Å; N1001-E1004 PolarHBondContact ND2-OE1 3.36Å; N1001-E1004 PolarHBondContact O-N 2.95Å; N1001-E1004 WeakPolarHBondContact OD1-CG 3.24Å; N1001-E1004 PolarHBondContact OD1-N 3.28Å; E1004-K1006 VanDerWaalsContact C-N 3.34Å; E1004-K1006 PolarHBondContact O-N 3.13Å; E1004-L1007 PolarHBondContact O-N 2.98Å; E1004-L1008 WeakPolarHBondContact O-CB 3.42Å; E1004-L1008 PolarHBondContact O-N 3.5Å |
| 1005 | W | 86.9 | Confident | 83.6 | Confident | 8 Ų | 8 | 51.5 Ų | 51.5 | 3% | 0.03 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61 | -42.7 | 172.8 | -79.8 | 108.5 | 0 | 0 | 0 | 111.7 | P999 N1001 L1002 L1008 I1009 L1051 L1052 T1055 | P999-W1005 HydrophobicContact CB-CD2 3.86Å; P999-W1005 HydrophobicContact CB-CE3 4.38Å; P999-W1005 HydrophobicContact CB-CG 4.14Å; P999-W1005 HydrophobicContact CB-CH2 4.44Å; P999-W1005 HydrophobicContact CB-CZ2 3.96Å; P999-W1005 HydrophobicContact CG-CD2 4.04Å; P999-W1005 HydrophobicContact CG-CE3 4.08Å; P999-W1005 HydrophobicContact CG-CH2 3.77Å; P999-W1005 HydrophobicContact CG-CZ2 3.76Å; P999-W1005 HydrophobicContact CG-CZ3 3.96Å; P999-W1005 PolarHBondContact O-NE1 3.33Å; P999-W1005 VanDerWaalsContact O-NE1 3.08Å; N1001-W1005 PolarHBondContact O-N 3.24Å; N1001-W1005 VanDerWaalsContact O-N 3.11Å; L1002-W1005 PolarHBondContact O-N 2.95Å; W1005-L1008 HydrophobicContact CE3-CD2 4.27Å; W1005-L1008 HydrophobicContact CZ3-CD2 4.05Å; W1005-L1008 PolarHBondContact O-N 2.9Å; W1005-I1009 WeakPolarHBondContact O-CB 3.25Å; W1005-I1009 VanDerWaalsContact O-CD1 3.3Å; W1005-I1009 WeakPolarHBondContact O-CD1 3.15Å; W1005-I1009 WeakPolarHBondContact O-CG1 3.37Å; W1005-I1009 PolarHBondContact O-N 3.31Å; W1005-L1051 HydrophobicContact CH2-CD2 3.75Å; W1005-L1051 HydrophobicContact CH2-CG 3.75Å; W1005-L1051 HydrophobicContact CZ3-CD2 4.2Å; W1005-L1051 HydrophobicContact CZ3-CG 4.38Å; W1005-L1052 HydrophobicContact CB-CD1 4.06Å; W1005-L1052 HydrophobicContact CD2-CD1 3.41Å; W1005-L1052 VanDerWaalsContact CD2-CD1 3.41Å; W1005-L1052 HydrophobicContact CE3-CD1 3.6Å; W1005-L1052 HydrophobicContact CG-CD1 3.62Å; W1005-L1052 HydrophobicContact CZ3-CD1 4.32Å; W1005-T1055 HydrophobicContact CZ2-CG2 4.19Å |
| 1006 | K | 86.3 | Confident | 83.4 | Confident | 54 Ų | 54 | 51.4 Ų | 51.4 | 24% | 0.235 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.3 | -41.2 | 175.7 | -74.6 | 174.4 | 173.4 | -173.4 | 0 | 112.2 | L1002 D1003 E1004 I1009 Q1010 E1067 | L1002-K1006 VanDerWaalsContact O-CG 3.26Å; L1002-K1006 WeakPolarHBondContact O-CG 3.42Å; L1002-K1006 PolarHBondContact O-N 3.05Å; D1003-K1006 PolarHBondContact O-N 2.91Å; E1004-K1006 VanDerWaalsContact C-N 3.34Å; E1004-K1006 PolarHBondContact O-N 3.13Å; K1006-I1009 PolarHBondContact O-N 2.84Å; K1006-Q1010 WeakPolarHBondContact O-CB 3.39Å; K1006-Q1010 VanDerWaalsContact O-CG 3.25Å; K1006-Q1010 WeakPolarHBondContact O-CG 3.4Å; K1006-Q1010 PolarHBondContact O-N 3.37Å; K1006-E1067 VanDerWaalsContact CE-OE2 3.25Å; K1006-E1067 WeakPolarHBondContact CE-OE2 3.5Å; K1006-E1067 IonicContact NZ-OE2 3.73Å; K1006-E1067 PolarHBondContact NZ-OE2 3.48Å |
| 1007 | L | 86.8 | Confident | 82.1 | Confident | 46 Ų | 46 | 59.8 Ų | 59.8 | 24% | 0.241 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.9 | -50.1 | 175.2 | 174.6 | 63.2 | 0 | 0 | 0 | 111.4 | T976 F979 D1003 E1004 I1009 Q1010 L1011 | T976-L1007 HydrophobicContact CG2-CD2 4.15Å; F979-L1007 HydrophobicContact CD2-CD2 4.21Å; D1003-L1007 VanDerWaalsContact O-CB 3.3Å; D1003-L1007 WeakPolarHBondContact O-CB 3.41Å; D1003-L1007 PolarHBondContact O-N 2.64Å; E1004-L1007 PolarHBondContact O-N 2.98Å; L1007-I1009 VanDerWaalsContact C-N 3.31Å; L1007-I1009 PolarHBondContact O-N 3.44Å; L1007-Q1010 CarbonylContact O-C 3.57Å; L1007-Q1010 PolarHBondContact O-N 3.07Å; L1007-L1011 HydrophobicContact CD1-CD1 3.95Å; L1007-L1011 HydrophobicContact CD1-CG 4.08Å; L1007-L1011 HydrophobicContact CG-CD1 3.92Å; L1007-L1011 HydrophobicContact CG-CG 4.45Å; L1007-L1011 WeakPolarHBondContact O-CG 3.36Å; L1007-L1011 PolarHBondContact O-N 2.97Å |
| 1008 | L | 87.1 | Confident | 80.5 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.5 | -40.9 | 178.3 | -178.5 | 65 | 0 | 0 | 0 | 112 | F979 L991 P999 E1004 W1005 Q1010 L1011 S1012 L1048 | F979-L1008 HydrophobicContact CB-CD1 4.2Å; F979-L1008 HydrophobicContact CD1-CD1 4.04Å; F979-L1008 HydrophobicContact CG-CD1 4.35Å; L991-L1008 HydrophobicContact CD1-CD2 3.78Å; P999-L1008 HydrophobicContact CG-CD2 3.77Å; E1004-L1008 WeakPolarHBondContact O-CB 3.42Å; E1004-L1008 PolarHBondContact O-N 3.5Å; W1005-L1008 HydrophobicContact CE3-CD2 4.27Å; W1005-L1008 HydrophobicContact CZ3-CD2 4.05Å; W1005-L1008 PolarHBondContact O-N 2.9Å; L1008-Q1010 VanDerWaalsContact C-N 3.33Å; L1008-Q1010 PolarHBondContact O-N 3.45Å; L1008-L1011 PolarHBondContact O-N 3.47Å; L1008-S1012 PolarHBondContact O-N 3.04Å; L1008-S1012 PolarHBondContact O-OG 2.79Å; L1008-L1048 HydrophobicContact CD2-CD2 3.87Å; L1008-L1048 HydrophobicContact CG-CD2 4.29Å |
| 1009 | I | 85.3 | Confident | 78.6 | Confident | 4 Ų | 4 | 63.5 Ų | 63.5 | 2% | 0.021 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67.8 | -31 | 175.3 | -67.4 | 163.3 | 0 | 0 | 0 | 112.1 | W1005 K1006 L1007 S1012 Q1013 L1052 L1065 C1068 V1070 | W1005-I1009 WeakPolarHBondContact O-CB 3.25Å; W1005-I1009 VanDerWaalsContact O-CD1 3.3Å; W1005-I1009 WeakPolarHBondContact O-CD1 3.15Å; W1005-I1009 WeakPolarHBondContact O-CG1 3.37Å; W1005-I1009 PolarHBondContact O-N 3.31Å; K1006-I1009 PolarHBondContact O-N 2.84Å; L1007-I1009 VanDerWaalsContact C-N 3.31Å; L1007-I1009 PolarHBondContact O-N 3.44Å; I1009-S1012 PolarHBondContact O-OG 3.48Å; I1009-Q1013 WeakPolarHBondContact O-CG 3.49Å; I1009-Q1013 PolarHBondContact O-N 2.95Å; I1009-L1052 HydrophobicContact CD1-CD2 4.16Å; I1009-L1065 HydrophobicContact CD1-CD2 3.97Å; I1009-L1065 HydrophobicContact CG1-CD2 4.39Å; I1009-L1065 HydrophobicContact CG2-CD2 4.3Å; I1009-C1068 HydrophobicContact CG2-CB 3.6Å; I1009-V1070 HydrophobicContact CG2-CG2 3.6Å |
| 1010 | Q | 85.4 | Confident | 76.2 | Confident | 98 Ų | 98 | 70.4 Ų | 70.4 | 46% | 0.458 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -77.3 | -37.2 | 175.3 | -75.1 | 172.9 | 9.6 | 0 | 0 | 112.4 | K1006 L1007 L1008 Q1014 | K1006-Q1010 WeakPolarHBondContact O-CB 3.39Å; K1006-Q1010 VanDerWaalsContact O-CG 3.25Å; K1006-Q1010 WeakPolarHBondContact O-CG 3.4Å; K1006-Q1010 PolarHBondContact O-N 3.37Å; L1007-Q1010 CarbonylContact O-C 3.57Å; L1007-Q1010 PolarHBondContact O-N 3.07Å; L1008-Q1010 VanDerWaalsContact C-N 3.33Å; L1008-Q1010 PolarHBondContact O-N 3.45Å; Q1010-Q1014 WeakPolarHBondContact O-CG 3.33Å; Q1010-Q1014 PolarHBondContact O-N 3.36Å; Q1010-Q1014 PolarHBondContact O-NE2 2.8Å |
| 1011 | L | 84.9 | Confident | 74.1 | Confident | 16 Ų | 16 | 68.5 Ų | 68.5 | 8% | 0.084 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -67.3 | -48.6 | 175.5 | -70 | 169.7 | 0 | 0 | 0 | 110.7 | F979 L1007 L1008 Q1013 Q1014 Y1015 | F979-L1011 HydrophobicContact CB-CD1 3.81Å; L1007-L1011 HydrophobicContact CD1-CD1 3.95Å; L1007-L1011 HydrophobicContact CD1-CG 4.08Å; L1007-L1011 HydrophobicContact CG-CD1 3.92Å; L1007-L1011 HydrophobicContact CG-CG 4.45Å; L1007-L1011 WeakPolarHBondContact O-CG 3.36Å; L1007-L1011 PolarHBondContact O-N 2.97Å; L1008-L1011 PolarHBondContact O-N 3.47Å; L1011-Q1013 VanDerWaalsContact C-N 3.27Å; L1011-Q1013 PolarHBondContact O-N 3.42Å; L1011-Q1014 WeakPolarHBondContact O-CA 3.42Å; L1011-Q1014 WeakPolarHBondContact O-CB 3.43Å; L1011-Q1014 PolarHBondContact O-N 3.11Å; L1011-Y1015 HydrophobicContact CD2-CE2 4.38Å; L1011-Y1015 WeakPolarHBondContact O-CD2 3.41Å; L1011-Y1015 PolarHBondContact O-N 3.47Å |
| 1012 | S | 84.1 | Confident | 72 | Confident | 6 Ų | 6 | 71 Ų | 71 | 4% | 0.042 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.2 | -36.7 | 177.3 | 69.2 | 0 | 0 | 0 | 0 | 112.2 | L1008 I1009 Q1014 Y1015 C1016 L1048 | L1008-S1012 PolarHBondContact O-N 3.04Å; L1008-S1012 PolarHBondContact O-OG 2.79Å; I1009-S1012 PolarHBondContact O-OG 3.48Å; S1012-Q1014 VanDerWaalsContact C-N 3.31Å; S1012-Q1014 PolarHBondContact O-N 3.28Å; S1012-Y1015 PolarHBondContact O-N 3.19Å; S1012-C1016 WeakPolarHBondContact O-CB 3.26Å; S1012-C1016 PolarHBondContact O-N 3.07Å; S1012-C1016 PolarHBondContact O-SG 2.91Å; S1012-L1048 WeakPolarHBondContact OG-CD1 3.38Å |
| 1013 | Q | 79.8 | Confident | 69.7 | Low | 44 Ų | 44 | 72.4 Ų | 72.4 | 21% | 0.206 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61.5 | -33.1 | 170.9 | -84.9 | -172.7 | 68.2 | 0 | 0 | 114.4 | I1009 L1011 R1017 C1068 | I1009-Q1013 WeakPolarHBondContact O-CG 3.49Å; I1009-Q1013 PolarHBondContact O-N 2.95Å; L1011-Q1013 VanDerWaalsContact C-N 3.27Å; L1011-Q1013 PolarHBondContact O-N 3.42Å; Q1013-R1017 VanDerWaalsContact O-CD 3.3Å; Q1013-R1017 WeakPolarHBondContact O-CD 3.01Å; Q1013-R1017 VanDerWaalsContact O-CG 3.23Å; Q1013-R1017 WeakPolarHBondContact O-CG 3.4Å; Q1013-R1017 PolarHBondContact O-NE 2.9Å; Q1013-C1068 PolarHBondContact NE2-O 3.15Å |
| 1014 | Q | 80.1 | Confident | 67.5 | Low | 111 Ų | 111 | 72 Ų | 72 | 52% | 0.519 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -73.8 | -49.6 | 177.9 | -71 | 167.2 | 51.5 | 0 | 0 | 109.8 | Q1010 L1011 S1012 R1017 V1018 | Q1010-Q1014 WeakPolarHBondContact O-CG 3.33Å; Q1010-Q1014 PolarHBondContact O-N 3.36Å; Q1010-Q1014 PolarHBondContact O-NE2 2.8Å; L1011-Q1014 WeakPolarHBondContact O-CA 3.42Å; L1011-Q1014 WeakPolarHBondContact O-CB 3.43Å; L1011-Q1014 PolarHBondContact O-N 3.11Å; S1012-Q1014 VanDerWaalsContact C-N 3.31Å; S1012-Q1014 PolarHBondContact O-N 3.28Å; Q1014-R1017 PolarHBondContact O-N 3.27Å; Q1014-R1017 VanDerWaalsContact O-N 3.13Å; Q1014-V1018 WeakPolarHBondContact O-CG2 3.39Å; Q1014-V1018 PolarHBondContact O-N 2.92Å |
| 1015 | Y | 72.5 | Confident | 64.9 | Low | 49 Ų | 49 | 76 Ų | 76 | 19% | 0.192 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -69.2 | -39 | -178 | -69.9 | -67.4 | 0 | 0 | 0 | 113.4 | S980 C983 E984 L1011 S1012 R1017 V1018 A1019 | S980-Y1015 PolarHBondContact OG-OH 3.25Å; C983-Y1015 HydrophobicContact CB-CD2 3.5Å; C983-Y1015 HydrophobicContact CB-CE2 4.05Å; C983-Y1015 HydrophobicContact CB-CG 4.23Å; E984-Y1015 HydrophobicContact CG-CD1 3.7Å; E984-Y1015 HydrophobicContact CG-CD2 4.49Å; E984-Y1015 HydrophobicContact CG-CE1 3.2Å; E984-Y1015 HydrophobicContact CG-CE2 4.09Å; E984-Y1015 HydrophobicContact CG-CG 4.3Å; E984-Y1015 WeakPolarHBondContact OE1-CE1 3.23Å; E984-Y1015 PolarHBondContact OE1-OH 3.36Å; L1011-Y1015 HydrophobicContact CD2-CE2 4.38Å; L1011-Y1015 WeakPolarHBondContact O-CD2 3.41Å; L1011-Y1015 PolarHBondContact O-N 3.47Å; S1012-Y1015 PolarHBondContact O-N 3.19Å; Y1015-R1017 PolarHBondContact O-N 2.9Å; Y1015-V1018 PolarHBondContact O-N 2.96Å; Y1015-A1019 PolarHBondContact O-N 3.41Å |
| 1016 | C | 63.8 | Low | 62.3 | Low | 77 Ų | 77 | 82.9 Ų | 82.9 | 52% | 0.52 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -9.1 | 171.7 | -67.3 | 0 | 0 | 0 | 0 | 114.5 | S1012 | S1012-C1016 WeakPolarHBondContact O-CB 3.26Å; S1012-C1016 PolarHBondContact O-N 3.07Å; S1012-C1016 PolarHBondContact O-SG 2.91Å |
| 1017 | R | 54.3 | Low | 59.8 | Low | 191 Ų | 191 | 87.4 Ų | 87.4 | 72% | 0.721 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | -9.7 | 173.3 | -69.4 | 174.2 | -168.6 | 175.3 | 9.9 | 113.7 | Q1013 Q1014 Y1015 | Q1013-R1017 VanDerWaalsContact O-CD 3.3Å; Q1013-R1017 WeakPolarHBondContact O-CD 3.01Å; Q1013-R1017 VanDerWaalsContact O-CG 3.23Å; Q1013-R1017 WeakPolarHBondContact O-CG 3.4Å; Q1013-R1017 PolarHBondContact O-NE 2.9Å; Q1014-R1017 PolarHBondContact O-N 3.27Å; Q1014-R1017 VanDerWaalsContact O-N 3.13Å; Y1015-R1017 PolarHBondContact O-N 2.9Å |
| 1018 | V | 51.8 | Low | 57.2 | Low | 113 Ų | 113 | 93.3 Ų | 93.3 | 69% | 0.685 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | -18.5 | 179.9 | 174.7 | 0 | 0 | 0 | 0 | 111.4 | Q1014 Y1015 D1020 | Q1014-V1018 WeakPolarHBondContact O-CG2 3.39Å; Q1014-V1018 PolarHBondContact O-N 2.92Å; Y1015-V1018 PolarHBondContact O-N 2.96Å; V1018-D1020 PolarHBondContact O-N 3.37Å |
| 1019 | A | 45.5 | Very low | 54.4 | Low | 77 Ų | 77 | 97 Ų | 97 | 64% | 0.636 | 57% | 0.573 | S | S | * | * | trans | -70.7 | 85.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y1015 | Y1015-A1019 PolarHBondContact O-N 3.41Š| ||
| 1020 | D | 38.1 | Very low | 51.7 | Low | 147 Ų | 147 | 102.6 Ų | 102.6 | 79% | 0.786 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -56 | 145.6 | 153.8 | -90.3 | -43.3 | 0 | 0 | 0 | 109.7 | V1018 | V1018-D1020 PolarHBondContact O-N 3.37Š|
| 1021 | P | 39.7 | Very low | 49 | Very low | 106 Ų | 106 | 102.9 Ų | 102.9 | 69% | 0.688 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -63 | 136.7 | 175.2 | 27.7 | -33.9 | 0 | 0 | 0 | 109.8 | ||
| 1022 | P | 41.8 | Very low | 46.5 | Very low | 118 Ų | 118 | 113 Ų | 113 | 77% | 0.766 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 132.5 | -175.2 | 23.8 | -33.7 | 0 | 0 | 0 | 111 | A1024 | P1022-A1024 PolarHBondContact O-N 3.36Š|
| 1023 | P | 35.7 | Very low | 43.8 | Very low | 115 Ų | 115 | 117.1 Ų | 117.1 | 75% | 0.747 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 124.2 | 177.7 | 26.9 | -33.5 | 0 | 0 | 0 | 109.9 | T1025 | P1023-T1025 VanDerWaalsContact C-N 3.32Å; P1023-T1025 PolarHBondContact O-N 2.9Å |
| 1024 | A | 38.1 | Very low | 41.3 | Very low | 106 Ų | 106 | 123 Ų | 123 | 88% | 0.876 | 73% | 0.725 | S | S | * | * | trans | -81.4 | 71.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | P1022 | P1022-A1024 PolarHBondContact O-N 3.36Š| ||
| 1025 | T | 34.1 | Very low | 38.8 | Very low | 110 Ų | 110 | 121.6 Ų | 121.6 | 68% | 0.675 | 74% | 0.74 | S | S | * | * | trans | -148.8 | 122.2 | 170.3 | 45.4 | 0 | 0 | 0 | 0 | 112.6 | P1023 | P1023-T1025 VanDerWaalsContact C-N 3.32Å; P1023-T1025 PolarHBondContact O-N 2.9Å | ||
| 1026 | D | 33.9 | Very low | 36.7 | Very low | 153 Ų | 153 | 123 Ų | 123 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | 47.8 | 101.5 | 142.9 | -49.9 | -18.3 | 0 | 0 | 0 | 121.5 | ||||
| 1027 | V | 32.9 | Very low | 35.2 | Very low | 148 Ų | 148 | 124 Ų | 124 | 90% | 0.897 | 77% | 0.766 | S | S | * | * | -145.4 | 145.1 | 123.1 | 179 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 1028 | N | 32.2 | Very low | 34.3 | Very low | 170 Ų | 170 | 121.6 Ų | 121.6 | 91% | 0.909 | 77% | 0.767 | S | S | * | * | trans | -75.8 | 128.4 | 175.9 | -75.6 | -55 | 0 | 0 | 0 | 112.6 | ||||
| 1029 | G | 28.7 | Very low | 33.7 | Very low | 77 Ų | 77 | 121.1 Ų | 121.1 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | trans | -163.8 | 111.3 | 167 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1030 | S | 29.2 | Very low | 34 | Very low | 123 Ų | 123 | 125.4 Ų | 125.4 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | trans | -87.8 | 145 | -164.3 | 52.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 1031 | S | 28.6 | Very low | 35 | Very low | 104 Ų | 104 | 119.6 Ų | 119.6 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | 105.8 | 43.4 | 156.6 | -145.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1032 | W | 30.6 | Very low | 36.6 | Very low | 229 Ų | 229 | 119.6 Ų | 119.6 | 87% | 0.867 | 74% | 0.735 | S | S | * | * | trans | -110.6 | 91.2 | 156.8 | -83.9 | 26.5 | 0 | 0 | 0 | 110.3 | ||||
| 1033 | S | 28.2 | Very low | 38.3 | Very low | 91 Ų | 91 | 114.3 Ų | 114.3 | 64% | 0.636 | 70% | 0.7 | S | S | * | * | trans | -155.1 | 98 | 174.7 | 55.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1034 | N | 28.4 | Very low | 40.3 | Very low | 169 Ų | 169 | 110.8 Ų | 110.8 | 90% | 0.904 | 68% | 0.679 | S | S | * | * | 179.3 | 89.6 | 118.7 | -88.9 | -36.9 | 0 | 0 | 0 | 113.8 | |||||
| 1035 | G | 26.3 | Very low | 42 | Very low | 81 Ų | 81 | 108.3 Ų | 108.3 | 84% | 0.835 | 65% | 0.654 | S | S | * | * | 73.9 | 65.6 | 123.5 | 0 | 0 | 0 | 0 | 0 | 121 | |||||
| 1036 | A | 28.5 | Very low | 44.1 | Very low | 78 Ų | 78 | 105.3 Ų | 105.3 | 65% | 0.645 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -162.9 | 137.9 | 137.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 1037 | T | 31.9 | Very low | 46.3 | Very low | 99 Ų | 99 | 99.2 Ų | 99.2 | 61% | 0.607 | 60% | 0.601 | S | S | * | * | trans | 56 | 54.3 | 153.3 | 48.6 | 0 | 0 | 0 | 0 | 119.6 | C1039 E1040 | T1037-C1039 PolarHBondContact O-N 3.32Å; T1037-E1040 PolarHBondContact O-N 2.93Å | ||
| 1038 | D | 35.5 | Very low | 48.6 | Very low | 139 Ų | 139 | 92.3 Ų | 92.3 | 74% | 0.743 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | 28.5 | 172.7 | -59.1 | -63.6 | 0 | 0 | 0 | 116.7 | ||
| 1039 | C | 40.7 | Very low | 50.9 | Low | 103 Ų | 103 | 84.2 Ų | 84.2 | 70% | 0.696 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126 | -13.5 | 177 | -68.6 | 0 | 0 | 0 | 0 | 113.7 | T1037 G1041 | T1037-C1039 PolarHBondContact O-N 3.32Å; C1039-G1041 PolarHBondContact O-N 2.71Å |
| 1040 | E | 50.1 | Low | 53.5 | Low | 168 Ų | 168 | 82.5 Ų | 82.5 | 79% | 0.785 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | 108.9 | 176.1 | -62.9 | -168.2 | 158.3 | 0 | 0 | 109.4 | T1037 | T1037-E1040 PolarHBondContact O-N 2.93Š|
| 1041 | G | 59.5 | Low | 56 | Low | 24 Ų | 24 | 77.2 Ų | 77.2 | 25% | 0.247 | 45% | 0.45 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 120.9 | -4.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | R924 D987 L988 C1039 | R924-G1041 PolarHBondContact NH2-O 2.78Å; D987-G1041 WeakPolarHBondContact CA-O 3.27Å; L988-G1041 WeakPolarHBondContact CB-O 3.42Å; L988-G1041 PolarHBondContact N-O 3.43Å; C1039-G1041 PolarHBondContact O-N 2.71Å |
| 1042 | R | 74.2 | Confident | 58.6 | Low | 107 Ų | 107 | 72.3 Ų | 72.3 | 40% | 0.404 | 42% | 0.416 | S | S | . | . | trans | -75.5 | 150.4 | 173.2 | -63.8 | -168.2 | -166.7 | -135.3 | 5.9 | 112.6 | D986 S1044 S1047 | D986-R1042 WeakPolarHBondContact OD1-CA 3.3Å; D986-R1042 WeakPolarHBondContact OD1-CB 3.42Å; D986-R1042 WeakPolarHBondContact OD2-CD 3.48Å; D986-R1042 WeakPolarHBondContact OD2-CG 3.46Å; D986-R1042 IonicContact OD2-NH1 2.75Å; R1042-S1044 PolarHBondContact O-N 3.16Å; R1042-S1047 VanDerWaalsContact O-CB 3.3Å; R1042-S1047 WeakPolarHBondContact O-CB 3.3Å; R1042-S1047 PolarHBondContact O-OG 3.49Å | ||
| 1043 | I | 77.7 | Confident | 61.1 | Low | 6 Ų | 6 | 61.5 Ų | 61.5 | 3% | 0.031 | 38% | 0.375 | C | S | . | . | trans | -83.1 | 63.5 | -179.9 | -52.4 | 178.9 | 0 | 0 | 0 | 109.9 | I982 D986 L988 L1048 | I982-I1043 HydrophobicContact CG2-CD1 3.69Å; I982-I1043 WeakPolarHBondContact O-CD1 3.49Å; D986-I1043 PolarHBondContact OD1-N 3.35Å; L988-I1043 HydrophobicContact CD1-CG1 4.38Å; I1043-L1048 HydrophobicContact CG2-CD1 3.83Å; I1043-L1048 HydrophobicContact CG2-CD2 4.1Å; I1043-L1048 HydrophobicContact CG2-CG 3.98Å | ||
| 1044 | S | 76.9 | Confident | 63.7 | Low | 42 Ų | 42 | 65.1 Ų | 65.1 | 29% | 0.294 | 38% | 0.375 | S | S | . | . | trans | -81.1 | 156.9 | 173.6 | 84.5 | 0 | 0 | 0 | 0 | 111.5 | R1042 E1046 S1047 L1048 | R1042-S1044 PolarHBondContact O-N 3.16Å; S1044-E1046 PolarHBondContact O-N 3.46Å; S1044-E1046 PolarHBondContact OG-N 3.29Å; S1044-S1047 PolarHBondContact N-OG 3.03Å; S1044-S1047 WeakPolarHBondContact O-CB 3.4Å; S1044-S1047 PolarHBondContact O-N 2.87Å; S1044-S1047 VanDerWaalsContact O-N 3.14Å; S1044-S1047 PolarHBondContact OG-N 2.9Å; S1044-S1047 PolarHBondContact OG-OG 3.21Å; S1044-L1048 PolarHBondContact O-N 2.98Å | ||
| 1045 | P | 74.5 | Confident | 66.2 | Low | 54 Ų | 54 | 59.7 Ų | 59.7 | 35% | 0.351 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -56.9 | -29.6 | 170.9 | -26.3 | 35.5 | 0 | 0 | 0 | 113.4 | T1049 V1070 V1072 | P1045-T1049 WeakPolarHBondContact O-CB 3.28Å; P1045-T1049 PolarHBondContact O-N 3.4Å; P1045-T1049 PolarHBondContact O-OG1 2.94Å; P1045-V1070 HydrophobicContact CB-CG1 4.12Å; P1045-V1072 HydrophobicContact CB-CG2 4.03Å |
| 1046 | E | 77.1 | Confident | 68.8 | Low | 47 Ų | 47 | 58.2 Ų | 58.2 | 22% | 0.22 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -74.3 | -42.4 | 175.5 | 179.3 | 160.3 | -169 | 0 | 0 | 111.8 | S1044 T1049 L1050 V1072 L1074 S1075 S1078 | S1044-E1046 PolarHBondContact O-N 3.46Å; S1044-E1046 PolarHBondContact OG-N 3.29Å; E1046-T1049 WeakPolarHBondContact O-CB 3.43Å; E1046-T1049 PolarHBondContact O-N 3.14Å; E1046-T1049 VanDerWaalsContact O-N 3.14Å; E1046-L1050 PolarHBondContact O-N 2.84Å; E1046-V1072 HydrophobicContact CB-CG1 4.32Å; E1046-L1074 HydrophobicContact CG-CD2 3.94Å; E1046-S1075 WeakPolarHBondContact OE1-CB 3.47Å; E1046-S1075 PolarHBondContact OE1-N 3.09Å; E1046-S1075 PolarHBondContact OE1-OG 3.5Å; E1046-S1078 WeakPolarHBondContact OE1-CB 3.19Å; E1046-S1078 PolarHBondContact OE1-OG 3Å |
| 1047 | S | 80.9 | Confident | 71.4 | Confident | 24 Ų | 24 | 55.2 Ų | 55.2 | 17% | 0.168 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57.6 | -50.1 | 173.2 | -46.3 | 0 | 0 | 0 | 0 | 110.9 | R1042 S1044 T1049 L1050 L1051 | R1042-S1047 VanDerWaalsContact O-CB 3.3Å; R1042-S1047 WeakPolarHBondContact O-CB 3.3Å; R1042-S1047 PolarHBondContact O-OG 3.49Å; S1044-S1047 PolarHBondContact N-OG 3.03Å; S1044-S1047 WeakPolarHBondContact O-CB 3.4Å; S1044-S1047 PolarHBondContact O-N 2.87Å; S1044-S1047 VanDerWaalsContact O-N 3.14Å; S1044-S1047 PolarHBondContact OG-N 2.9Å; S1044-S1047 PolarHBondContact OG-OG 3.21Å; S1047-T1049 VanDerWaalsContact C-N 3.29Å; S1047-T1049 PolarHBondContact O-N 2.99Å; S1047-L1050 PolarHBondContact O-N 3.38Å; S1047-L1051 PolarHBondContact O-N 2.85Å |
| 1048 | L | 80.8 | Confident | 73.8 | Confident | 3 Ų | 3 | 50.7 Ų | 50.7 | 2% | 0.016 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.2 | -34 | 175.8 | -71.2 | 175.7 | 0 | 0 | 0 | 112.1 | L988 L1008 S1012 I1043 S1044 L1051 L1052 | L988-L1048 HydrophobicContact CD1-CD2 4.06Å; L1008-L1048 HydrophobicContact CD2-CD2 3.87Å; L1008-L1048 HydrophobicContact CG-CD2 4.29Å; S1012-L1048 WeakPolarHBondContact OG-CD1 3.38Å; I1043-L1048 HydrophobicContact CG2-CD1 3.83Å; I1043-L1048 HydrophobicContact CG2-CD2 4.1Å; I1043-L1048 HydrophobicContact CG2-CG 3.98Å; S1044-L1048 PolarHBondContact O-N 2.98Å; L1048-L1051 PolarHBondContact O-N 3.02Å; L1048-L1052 WeakPolarHBondContact O-CB 3.45Å; L1048-L1052 PolarHBondContact O-N 2.7Å |
| 1049 | T | 80.4 | Confident | 76 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.5 | -42.6 | 174.2 | -56.3 | 0 | 0 | 0 | 0 | 111.7 | P1045 E1046 S1047 A1053 L1062 L1065 L1074 | P1045-T1049 WeakPolarHBondContact O-CB 3.28Å; P1045-T1049 PolarHBondContact O-N 3.4Å; P1045-T1049 PolarHBondContact O-OG1 2.94Å; E1046-T1049 WeakPolarHBondContact O-CB 3.43Å; E1046-T1049 PolarHBondContact O-N 3.14Å; E1046-T1049 VanDerWaalsContact O-N 3.14Å; S1047-T1049 VanDerWaalsContact C-N 3.29Å; S1047-T1049 PolarHBondContact O-N 2.99Å; T1049-A1053 WeakPolarHBondContact O-CB 3.14Å; T1049-A1053 PolarHBondContact O-N 2.98Å; T1049-L1062 HydrophobicContact CG2-CD2 4.35Å; T1049-L1065 HydrophobicContact CG2-CD1 3.58Å; T1049-L1065 WeakPolarHBondContact OG1-CD1 3.39Å; T1049-L1074 HydrophobicContact CG2-CD1 4.47Å; T1049-L1074 HydrophobicContact CG2-CD2 3.88Å |
| 1050 | L | 82.5 | Confident | 77.9 | Confident | 42 Ų | 42 | 51.4 Ų | 51.4 | 22% | 0.22 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.9 | -41.5 | 178 | -72.6 | 178.8 | 0 | 0 | 0 | 112 | E1046 S1047 A1053 R1054 V1081 | E1046-L1050 PolarHBondContact O-N 2.84Å; S1047-L1050 PolarHBondContact O-N 3.38Å; L1050-A1053 PolarHBondContact O-N 3.31Å; L1050-R1054 WeakPolarHBondContact O-CG 3.4Å; L1050-R1054 PolarHBondContact O-N 3.21Å; L1050-V1081 HydrophobicContact CD2-CB 4.03Å; L1050-V1081 HydrophobicContact CD2-CG1 3.88Å |
| 1051 | L | 82.9 | Confident | 79.5 | Confident | 12 Ų | 12 | 43.4 Ų | 43.4 | 6% | 0.063 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.1 | -47.7 | 176.5 | -172.2 | 62.6 | 0 | 0 | 0 | 111.5 | L988 L991 E992 W1005 S1047 L1048 A1053 R1054 T1055 | L988-L1051 HydrophobicContact CD1-CD2 4.26Å; L991-L1051 HydrophobicContact CB-CD2 4.36Å; L991-L1051 HydrophobicContact CD1-CD2 4.28Å; E992-L1051 HydrophobicContact CG-CD1 3.72Å; E992-L1051 WeakPolarHBondContact OE1-CD1 3.4Å; W1005-L1051 HydrophobicContact CH2-CD2 3.75Å; W1005-L1051 HydrophobicContact CH2-CG 3.75Å; W1005-L1051 HydrophobicContact CZ3-CD2 4.2Å; W1005-L1051 HydrophobicContact CZ3-CG 4.38Å; S1047-L1051 PolarHBondContact O-N 2.85Å; L1048-L1051 PolarHBondContact O-N 3.02Å; L1051-A1053 VanDerWaalsContact C-N 3.26Å; L1051-A1053 PolarHBondContact O-N 2.85Å; L1051-R1054 WeakPolarHBondContact O-CB 3.13Å; L1051-R1054 PolarHBondContact O-N 3.43Å; L1051-R1054 VanDerWaalsContact O-N 3.12Å; L1051-T1055 PolarHBondContact O-N 3.19Å; L1051-T1055 VanDerWaalsContact O-N 3.12Å; L1051-T1055 PolarHBondContact O-OG1 3.39Å |
| 1052 | L | 83.6 | Confident | 80.5 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62 | -33 | 174.9 | -170.1 | 70.3 | 0 | 0 | 0 | 112.3 | W1005 I1009 L1048 T1055 L1056 A1061 L1064 L1065 | W1005-L1052 HydrophobicContact CB-CD1 4.06Å; W1005-L1052 HydrophobicContact CD2-CD1 3.41Å; W1005-L1052 VanDerWaalsContact CD2-CD1 3.41Å; W1005-L1052 HydrophobicContact CE3-CD1 3.6Å; W1005-L1052 HydrophobicContact CG-CD1 3.62Å; W1005-L1052 HydrophobicContact CZ3-CD1 4.32Å; I1009-L1052 HydrophobicContact CD1-CD2 4.16Å; L1048-L1052 WeakPolarHBondContact O-CB 3.45Å; L1048-L1052 PolarHBondContact O-N 2.7Å; L1052-T1055 PolarHBondContact O-OG1 2.99Å; L1052-L1056 HydrophobicContact CD1-CD1 3.68Å; L1052-L1056 HydrophobicContact CD1-CG 4.4Å; L1052-L1056 PolarHBondContact O-N 3.34Å; L1052-A1061 HydrophobicContact CB-CB 3.97Å; L1052-A1061 HydrophobicContact CD2-CB 3.75Å; L1052-A1061 HydrophobicContact CG-CB 3.65Å; L1052-L1064 HydrophobicContact CD1-CD1 4.31Å; L1052-L1064 HydrophobicContact CD2-CB 4.3Å; L1052-L1064 HydrophobicContact CD2-CD1 4.42Å; L1052-L1065 HydrophobicContact CD2-CD1 4.37Å; L1052-L1065 HydrophobicContact CD2-CG 4.16Å |
| 1053 | A | 83.3 | Confident | 80.8 | Confident | 2 Ų | 2 | 44.8 Ų | 44.8 | 2% | 0.017 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -73.6 | -30.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | T1049 L1050 L1051 G1057 P1058 A1061 L1085 | T1049-A1053 WeakPolarHBondContact O-CB 3.14Å; T1049-A1053 PolarHBondContact O-N 2.98Å; L1050-A1053 PolarHBondContact O-N 3.31Å; L1051-A1053 VanDerWaalsContact C-N 3.26Å; L1051-A1053 PolarHBondContact O-N 2.85Å; A1053-G1057 VanDerWaalsContact O-CA 3.25Å; A1053-G1057 WeakPolarHBondContact O-CA 3.34Å; A1053-G1057 PolarHBondContact O-N 3.4Å; A1053-P1058 HydrophobicContact CB-CB 4.04Å; A1053-A1061 HydrophobicContact CB-CB 4.15Å; A1053-L1085 HydrophobicContact CB-CD1 4.06Å |
| 1054 | R | 82.6 | Confident | 81 | Confident | 167 Ų | 167 | 45.2 Ų | 45.2 | 63% | 0.63 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -65.4 | -44.2 | 169.9 | -78 | 174.6 | 158.6 | -179.8 | -3.8 | 111.4 | E992 L1050 L1051 | E992-R1054 IonicContact OE1-CZ 3.7Å; E992-R1054 IonicContact OE1-NH1 3.23Å; E992-R1054 PolarHBondContact OE1-NH1 3Å; E992-R1054 IonicContact OE2-NH1 3.83Å; L1050-R1054 WeakPolarHBondContact O-CG 3.4Å; L1050-R1054 PolarHBondContact O-N 3.21Å; L1051-R1054 WeakPolarHBondContact O-CB 3.13Å; L1051-R1054 PolarHBondContact O-N 3.43Å; L1051-R1054 VanDerWaalsContact O-N 3.12Å |
| 1055 | T | 80.9 | Confident | 81.1 | Confident | 55 Ų | 55 | 43.4 Ų | 43.4 | 34% | 0.337 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -84.9 | -42.5 | -172.1 | 56.7 | 0 | 0 | 0 | 0 | 114 | E998 W1005 L1051 L1052 | E998-T1055 WeakPolarHBondContact OE1-CG2 3.48Å; W1005-T1055 HydrophobicContact CZ2-CG2 4.19Å; L1051-T1055 PolarHBondContact O-N 3.19Å; L1051-T1055 VanDerWaalsContact O-N 3.12Å; L1051-T1055 PolarHBondContact O-OG1 3.39Å; L1052-T1055 PolarHBondContact O-OG1 2.99Å |
| 1056 | L | 80.5 | Confident | 81.4 | Confident | 51 Ų | 51 | 48.5 Ų | 48.5 | 27% | 0.267 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -112.2 | -6.3 | -174 | -61.8 | 179.4 | 0 | 0 | 0 | 114.8 | L1002 L1052 R1060 L1064 | L1002-L1056 HydrophobicContact CD2-CD1 3.49Å; L1002-L1056 VanDerWaalsContact CD2-CD1 3.49Å; L1002-L1056 HydrophobicContact CD2-CD2 4.46Å; L1052-L1056 HydrophobicContact CD1-CD1 3.68Å; L1052-L1056 HydrophobicContact CD1-CG 4.4Å; L1052-L1056 PolarHBondContact O-N 3.34Å; L1056-R1060 HydrophobicContact CB-CB 4.47Å; L1056-R1060 WeakPolarHBondContact O-CD 3.44Å; L1056-L1064 HydrophobicContact CD1-CD1 3.6Å |
| 1057 | G | 82.9 | Confident | 81.6 | Confident | 15 Ų | 15 | 51.7 Ų | 51.7 | 16% | 0.155 | 24% | 0.239 | C | C | . | . | trans | 88.4 | 144.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113 | A1053 D1059 R1060 A1061 | A1053-G1057 VanDerWaalsContact O-CA 3.25Å; A1053-G1057 WeakPolarHBondContact O-CA 3.34Å; A1053-G1057 PolarHBondContact O-N 3.4Å; G1057-D1059 PolarHBondContact O-N 3.15Å; G1057-R1060 PolarHBondContact O-N 3.12Å; G1057-A1061 PolarHBondContact O-N 3.01Å | ||
| 1058 | P | 82.5 | Confident | 81.5 | Confident | 3 Ų | 3 | 51.4 Ų | 51.4 | 2% | 0.019 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64 | -33.4 | -166.3 | 23.1 | -34.5 | 0 | 0 | 0 | 114.5 | A1053 L1062 C1082 L1085 R1086 | A1053-P1058 HydrophobicContact CB-CB 4.04Å; P1058-L1062 WeakPolarHBondContact O-CG 3.3Å; P1058-L1062 PolarHBondContact O-N 3.37Å; P1058-L1062 VanDerWaalsContact O-N 3.16Å; P1058-C1082 HydrophobicContact CB-CB 3.96Å; P1058-L1085 HydrophobicContact CG-CB 4.06Å; P1058-R1086 HydrophobicContact CG-CG 3.62Å |
| 1059 | D | 81.6 | Confident | 81.2 | Confident | 84 Ų | 84 | 54 Ų | 54 | 45% | 0.449 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -73.6 | -34.1 | -178.9 | -64.7 | -27.5 | 0 | 0 | 0 | 111.9 | G1057 E1063 R1086 | G1057-D1059 PolarHBondContact O-N 3.15Å; D1059-E1063 PolarHBondContact O-N 3.46Å; D1059-R1086 IonicContact OD1-CZ 2.71Å; D1059-R1086 IonicContact OD1-NE 3.31Å; D1059-R1086 PolarHBondContact OD1-NE 2.67Å; D1059-R1086 IonicContact OD1-NH2 2.78Å; D1059-R1086 PolarHBondContact OD1-NH2 3.49Å; D1059-R1086 IonicContact OD2-NE 3.19Å |
| 1060 | R | 81.3 | Confident | 81 | Confident | 173 Ų | 173 | 55.2 Ų | 55.2 | 65% | 0.653 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -73.8 | -38.4 | 172.9 | -75.9 | 179.1 | 166.4 | -178.6 | -4.5 | 112.2 | L1056 G1057 L1062 E1063 L1064 | L1056-R1060 HydrophobicContact CB-CB 4.47Å; L1056-R1060 WeakPolarHBondContact O-CD 3.44Å; G1057-R1060 PolarHBondContact O-N 3.12Å; R1060-L1062 VanDerWaalsContact C-N 3.34Å; R1060-L1062 PolarHBondContact O-N 3.49Å; R1060-E1063 PolarHBondContact O-N 3Å; R1060-L1064 WeakPolarHBondContact O-CG 3.47Å; R1060-L1064 PolarHBondContact O-N 3.45Å |
| 1061 | A | 82.4 | Confident | 80.4 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -56.6 | -48.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L1052 A1053 G1057 E1063 L1064 L1065 | L1052-A1061 HydrophobicContact CB-CB 3.97Å; L1052-A1061 HydrophobicContact CD2-CB 3.75Å; L1052-A1061 HydrophobicContact CG-CB 3.65Å; A1053-A1061 HydrophobicContact CB-CB 4.15Å; G1057-A1061 PolarHBondContact O-N 3.01Å; A1061-E1063 VanDerWaalsContact C-N 3.33Å; A1061-E1063 PolarHBondContact O-N 3.34Å; A1061-L1064 PolarHBondContact O-N 3.5Å; A1061-L1065 WeakPolarHBondContact O-CB 3.41Å; A1061-L1065 WeakPolarHBondContact O-CD1 3.28Å; A1061-L1065 VanDerWaalsContact O-CG 3.28Å; A1061-L1065 WeakPolarHBondContact O-CG 3.34Å; A1061-L1065 PolarHBondContact O-N 3.06Å |
| 1062 | L | 80.3 | Confident | 79.6 | Confident | 63 Ų | 63 | 63.2 Ų | 63.2 | 33% | 0.33 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.2 | -32.8 | 177.4 | -69.7 | 169.3 | 0 | 0 | 0 | 113.3 | T1049 P1058 R1060 R1066 L1074 | T1049-L1062 HydrophobicContact CG2-CD2 4.35Å; P1058-L1062 WeakPolarHBondContact O-CG 3.3Å; P1058-L1062 PolarHBondContact O-N 3.37Å; P1058-L1062 VanDerWaalsContact O-N 3.16Å; R1060-L1062 VanDerWaalsContact C-N 3.34Å; R1060-L1062 PolarHBondContact O-N 3.49Å; L1062-R1066 WeakPolarHBondContact O-CB 3.3Å; L1062-R1066 PolarHBondContact O-N 3.17Å; L1062-R1066 VanDerWaalsContact O-N 3.17Å; L1062-L1074 HydrophobicContact CD2-CD1 4.36Å |
| 1063 | E | 82.1 | Confident | 79.1 | Confident | 98 Ų | 98 | 69.4 Ų | 69.4 | 46% | 0.458 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -69.1 | -45.3 | 175.4 | -176.8 | 144.2 | -111.2 | 0 | 0 | 112.1 | D1059 R1060 A1061 R1066 E1067 | D1059-E1063 PolarHBondContact O-N 3.46Å; R1060-E1063 PolarHBondContact O-N 3Å; A1061-E1063 VanDerWaalsContact C-N 3.33Å; A1061-E1063 PolarHBondContact O-N 3.34Å; E1063-R1066 WeakPolarHBondContact O-CB 3.34Å; E1063-R1066 PolarHBondContact O-N 3.14Å; E1063-R1066 IonicContact OE1-CZ 2.7Å; E1063-R1066 IonicContact OE1-NH2 2.67Å; E1063-R1066 PolarHBondContact OE1-NH2 2.96Å; E1063-E1067 PolarHBondContact O-N 3.3Å |
| 1064 | L | 81.2 | Confident | 78.6 | Confident | 14 Ų | 14 | 70 Ų | 70 | 7% | 0.073 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.2 | -42.1 | 176 | -70.4 | 163.9 | 0 | 0 | 0 | 112.3 | L1002 L1052 L1056 R1060 A1061 R1066 E1067 C1068 | L1002-L1064 HydrophobicContact CD2-CD1 3.91Å; L1002-L1064 HydrophobicContact CD2-CD2 4.36Å; L1052-L1064 HydrophobicContact CD1-CD1 4.31Å; L1052-L1064 HydrophobicContact CD2-CB 4.3Å; L1052-L1064 HydrophobicContact CD2-CD1 4.42Å; L1056-L1064 HydrophobicContact CD1-CD1 3.6Å; R1060-L1064 WeakPolarHBondContact O-CG 3.47Å; R1060-L1064 PolarHBondContact O-N 3.45Å; A1061-L1064 PolarHBondContact O-N 3.5Å; L1064-R1066 VanDerWaalsContact C-N 3.29Å; L1064-R1066 PolarHBondContact O-N 3.18Å; L1064-E1067 WeakPolarHBondContact O-CB 3.14Å; L1064-E1067 PolarHBondContact O-N 3.39Å; L1064-C1068 PolarHBondContact O-N 2.93Å |
| 1065 | L | 79.4 | Confident | 78.5 | Confident | 5 Ų | 5 | 64.3 Ų | 64.3 | 3% | 0.026 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.2 | -39.2 | 175.5 | -74.4 | 160.2 | 0 | 0 | 0 | 111.8 | I1009 T1049 L1052 A1061 C1068 G1069 V1070 V1072 | I1009-L1065 HydrophobicContact CD1-CD2 3.97Å; I1009-L1065 HydrophobicContact CG1-CD2 4.39Å; I1009-L1065 HydrophobicContact CG2-CD2 4.3Å; T1049-L1065 HydrophobicContact CG2-CD1 3.58Å; T1049-L1065 WeakPolarHBondContact OG1-CD1 3.39Å; L1052-L1065 HydrophobicContact CD2-CD1 4.37Å; L1052-L1065 HydrophobicContact CD2-CG 4.16Å; A1061-L1065 WeakPolarHBondContact O-CB 3.41Å; A1061-L1065 WeakPolarHBondContact O-CD1 3.28Å; A1061-L1065 VanDerWaalsContact O-CG 3.28Å; A1061-L1065 WeakPolarHBondContact O-CG 3.34Å; A1061-L1065 PolarHBondContact O-N 3.06Å; L1065-C1068 CarbonylContact O-C 3.54Å; L1065-C1068 PolarHBondContact O-N 3.02Å; L1065-G1069 PolarHBondContact O-N 3.3Å; L1065-V1070 HydrophobicContact CB-CB 4.32Å; L1065-V1070 HydrophobicContact CD2-CB 4.11Å; L1065-V1070 HydrophobicContact CD2-CG1 4.43Å; L1065-V1070 HydrophobicContact CD2-CG2 4.05Å; L1065-V1070 PolarHBondContact O-N 3.03Å; L1065-V1072 HydrophobicContact CD1-CG2 4.25Å; L1065-V1072 HydrophobicContact CD2-CG2 4.29Å |
| 1066 | R | 80.2 | Confident | 78.2 | Confident | 161 Ų | 161 | 65.9 Ų | 65.9 | 61% | 0.608 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -66.7 | -38.5 | 174 | -174.6 | -170.2 | 64.9 | -171.5 | -7.1 | 112.1 | L1062 E1063 L1064 C1068 G1069 | L1062-R1066 WeakPolarHBondContact O-CB 3.3Å; L1062-R1066 PolarHBondContact O-N 3.17Å; L1062-R1066 VanDerWaalsContact O-N 3.17Å; E1063-R1066 WeakPolarHBondContact O-CB 3.34Å; E1063-R1066 PolarHBondContact O-N 3.14Å; E1063-R1066 IonicContact OE1-CZ 2.7Å; E1063-R1066 IonicContact OE1-NH2 2.67Å; E1063-R1066 PolarHBondContact OE1-NH2 2.96Å; L1064-R1066 VanDerWaalsContact C-N 3.29Å; L1064-R1066 PolarHBondContact O-N 3.18Å; R1066-C1068 VanDerWaalsContact C-N 3.32Å; R1066-G1069 PolarHBondContact O-N 3.05Å; R1066-G1069 VanDerWaalsContact O-N 3.16Å |
| 1067 | E | 81.7 | Confident | 78.1 | Confident | 113 Ų | 113 | 69.7 Ų | 69.7 | 53% | 0.528 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.9 | -39 | 171.3 | -71.6 | -178.8 | -171.5 | 0 | 0 | 111.9 | K1006 E1063 L1064 G1069 | K1006-E1067 VanDerWaalsContact CE-OE2 3.25Å; K1006-E1067 WeakPolarHBondContact CE-OE2 3.5Å; K1006-E1067 IonicContact NZ-OE2 3.73Å; K1006-E1067 PolarHBondContact NZ-OE2 3.48Å; E1063-E1067 PolarHBondContact O-N 3.3Å; L1064-E1067 WeakPolarHBondContact O-CB 3.14Å; L1064-E1067 PolarHBondContact O-N 3.39Å; E1067-G1069 PolarHBondContact O-N 3.31Å |
| 1068 | C | 79.2 | Confident | 77.9 | Confident | 18 Ų | 18 | 69.3 Ų | 69.3 | 12% | 0.122 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | 5.5 | 174 | -70.7 | 0 | 0 | 0 | 0 | 114.6 | I1009 Q1013 L1064 L1065 R1066 V1070 | I1009-C1068 HydrophobicContact CG2-CB 3.6Å; Q1013-C1068 PolarHBondContact NE2-O 3.15Å; L1064-C1068 PolarHBondContact O-N 2.93Å; L1065-C1068 CarbonylContact O-C 3.54Å; L1065-C1068 PolarHBondContact O-N 3.02Å; R1066-C1068 VanDerWaalsContact C-N 3.32Å; C1068-V1070 VanDerWaalsContact C-N 3.28Å; C1068-V1070 HydrophobicContact CB-CG2 4.03Å; C1068-V1070 PolarHBondContact O-N 2.64Å |
| 1069 | G | 74.1 | Confident | 77.9 | Confident | 59 Ų | 59 | 74 Ų | 74 | 61% | 0.608 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.2 | 9.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | L1065 R1066 E1067 | L1065-G1069 PolarHBondContact O-N 3.3Å; R1066-G1069 PolarHBondContact O-N 3.05Å; R1066-G1069 VanDerWaalsContact O-N 3.16Å; E1067-G1069 PolarHBondContact O-N 3.31Å |
| 1070 | V | 76.8 | Confident | 77.9 | Confident | 24 Ų | 24 | 74.9 Ų | 74.9 | 15% | 0.145 | 39% | 0.39 | C | S | . | . | trans | -84.3 | 121.5 | -177.6 | -161.2 | 0 | 0 | 0 | 0 | 110.7 | I1009 P1045 L1065 C1068 V1072 | I1009-V1070 HydrophobicContact CG2-CG2 3.6Å; P1045-V1070 HydrophobicContact CB-CG1 4.12Å; L1065-V1070 HydrophobicContact CB-CB 4.32Å; L1065-V1070 HydrophobicContact CD2-CB 4.11Å; L1065-V1070 HydrophobicContact CD2-CG1 4.43Å; L1065-V1070 HydrophobicContact CD2-CG2 4.05Å; L1065-V1070 PolarHBondContact O-N 3.03Å; C1068-V1070 VanDerWaalsContact C-N 3.28Å; C1068-V1070 HydrophobicContact CB-CG2 4.03Å; C1068-V1070 PolarHBondContact O-N 2.64Å; V1070-V1072 HydrophobicContact CB-CG2 4.22Å; V1070-V1072 HydrophobicContact CG1-CG2 3.43Å; V1070-V1072 VanDerWaalsContact CG1-CG2 3.43Å | ||
| 1071 | Q | 68.7 | Low | 77.9 | Confident | 190 Ų | 190 | 68.8 Ų | 68.8 | 89% | 0.888 | 37% | 0.372 | S | S | * | . | trans | -97.7 | 86.7 | 168 | -65.6 | -167.7 | 13.5 | 0 | 0 | 110.3 | V1073 | Q1071-V1073 PolarHBondContact O-N 3.37Š| ||
| 1072 | V | 67.4 | Low | 78 | Confident | 33 Ų | 33 | 68.9 Ų | 68.9 | 20% | 0.2 | 37% | 0.373 | C | S | . | . | trans | -81.2 | 112.1 | 179.7 | -172.3 | 0 | 0 | 0 | 0 | 110.8 | P1045 E1046 L1065 V1070 L1074 | P1045-V1072 HydrophobicContact CB-CG2 4.03Å; E1046-V1072 HydrophobicContact CB-CG1 4.32Å; L1065-V1072 HydrophobicContact CD1-CG2 4.25Å; L1065-V1072 HydrophobicContact CD2-CG2 4.29Å; V1070-V1072 HydrophobicContact CB-CG2 4.22Å; V1070-V1072 HydrophobicContact CG1-CG2 3.43Å; V1070-V1072 VanDerWaalsContact CG1-CG2 3.43Å; V1072-L1074 HydrophobicContact CG1-CD2 3.68Å; V1072-L1074 HydrophobicContact CG1-CG 4.13Å; V1072-L1074 PolarHBondContact O-N 3.43Å; V1072-L1074 VanDerWaalsContact O-N 3.17Å | ||
| 1073 | V | 71.4 | Confident | 78.1 | Confident | 130 Ų | 130 | 69.6 Ų | 69.6 | 79% | 0.788 | 38% | 0.377 | S | S | * | . | trans | -85.8 | 79.6 | 171 | -174.4 | 0 | 0 | 0 | 0 | 109.2 | Q1071 S1075 | Q1071-V1073 PolarHBondContact O-N 3.37Å; V1073-S1075 PolarHBondContact O-N 3.41Å | ||
| 1074 | L | 73.9 | Confident | 78.2 | Confident | 14 Ų | 14 | 70 Ų | 70 | 7% | 0.073 | 38% | 0.382 | C | S | . | . | trans | -52.2 | 137.1 | 180 | -66.6 | 176.1 | 0 | 0 | 0 | 112.5 | E1046 T1049 L1062 V1072 K1079 | E1046-L1074 HydrophobicContact CG-CD2 3.94Å; T1049-L1074 HydrophobicContact CG2-CD1 4.47Å; T1049-L1074 HydrophobicContact CG2-CD2 3.88Å; L1062-L1074 HydrophobicContact CD2-CD1 4.36Å; V1072-L1074 HydrophobicContact CG1-CD2 3.68Å; V1072-L1074 HydrophobicContact CG1-CG 4.13Å; V1072-L1074 PolarHBondContact O-N 3.43Å; V1072-L1074 VanDerWaalsContact O-N 3.17Å; L1074-K1079 HydrophobicContact CB-CG 3.91Å; L1074-K1079 WeakPolarHBondContact O-CE 3.47Å; L1074-K1079 PolarHBondContact O-NZ 3.47Å | ||
| 1075 | S | 80.2 | Confident | 78.3 | Confident | 47 Ų | 47 | 71.7 Ų | 71.7 | 33% | 0.329 | 39% | 0.391 | S | S | . | . | trans | -61.9 | 168.7 | 171.1 | 70.8 | 0 | 0 | 0 | 0 | 112.6 | E1046 V1073 H1077 S1078 K1079 | E1046-S1075 WeakPolarHBondContact OE1-CB 3.47Å; E1046-S1075 PolarHBondContact OE1-N 3.09Å; E1046-S1075 PolarHBondContact OE1-OG 3.5Å; V1073-S1075 PolarHBondContact O-N 3.41Å; S1075-H1077 PolarHBondContact O-N 3.43Å; S1075-H1077 PolarHBondContact OG-N 2.81Å; S1075-S1078 PolarHBondContact O-N 3.16Å; S1075-S1078 PolarHBondContact OG-N 2.84Å; S1075-S1078 PolarHBondContact OG-OG 3.21Å; S1075-K1079 WeakPolarHBondContact O-CB 3.45Å; S1075-K1079 WeakPolarHBondContact O-CD 3.25Å; S1075-K1079 WeakPolarHBondContact O-CG 3.25Å; S1075-K1079 PolarHBondContact O-N 3Å | ||
| 1076 | A | 75.3 | Confident | 78.6 | Confident | 89 Ų | 89 | 74.3 Ų | 74.3 | 74% | 0.736 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -61.6 | -33.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1080 | A1076-L1080 PolarHBondContact O-N 3.4Å |
| 1077 | H | 78.3 | Confident | 78.8 | Confident | 131 Ų | 131 | 69.9 Ų | 69.9 | 61% | 0.606 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -69.1 | -52 | 176.8 | -175.3 | 92.8 | 0 | 0 | 0 | 111.1 | S1075 K1079 L1080 V1081 | S1075-H1077 PolarHBondContact O-N 3.43Å; S1075-H1077 PolarHBondContact OG-N 2.81Å; H1077-K1079 VanDerWaalsContact C-N 3.29Å; H1077-K1079 PolarHBondContact O-N 2.72Å; H1077-L1080 WeakPolarHBondContact O-CA 3.49Å; H1077-L1080 WeakPolarHBondContact O-CB 3.26Å; H1077-L1080 PolarHBondContact O-N 2.97Å; H1077-V1081 PolarHBondContact O-N 3.3Å |
| 1078 | S | 79.1 | Confident | 78.8 | Confident | 6 Ų | 6 | 66.9 Ų | 66.9 | 4% | 0.042 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -65.6 | -31.3 | -178.1 | -56.2 | 0 | 0 | 0 | 0 | 113.2 | E1046 S1075 V1081 C1082 | E1046-S1078 WeakPolarHBondContact OE1-CB 3.19Å; E1046-S1078 PolarHBondContact OE1-OG 3Å; S1075-S1078 PolarHBondContact O-N 3.16Å; S1075-S1078 PolarHBondContact OG-N 2.84Å; S1075-S1078 PolarHBondContact OG-OG 3.21Å; S1078-V1081 PolarHBondContact O-N 3.02Å; S1078-C1082 WeakPolarHBondContact O-CB 3.29Å; S1078-C1082 PolarHBondContact O-N 3.31Å; S1078-C1082 PolarHBondContact O-SG 2.76Å |
| 1079 | K | 81.5 | Confident | 78.9 | Confident | 101 Ų | 101 | 68.7 Ų | 68.7 | 44% | 0.439 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59.7 | -47.5 | 168.8 | -77.8 | 164.6 | 174.9 | 144.5 | 0 | 111.6 | L1074 S1075 H1077 V1081 C1082 D1083 | L1074-K1079 HydrophobicContact CB-CG 3.91Å; L1074-K1079 WeakPolarHBondContact O-CE 3.47Å; L1074-K1079 PolarHBondContact O-NZ 3.47Å; S1075-K1079 WeakPolarHBondContact O-CB 3.45Å; S1075-K1079 WeakPolarHBondContact O-CD 3.25Å; S1075-K1079 WeakPolarHBondContact O-CG 3.25Å; S1075-K1079 PolarHBondContact O-N 3Å; H1077-K1079 VanDerWaalsContact C-N 3.29Å; H1077-K1079 PolarHBondContact O-N 2.72Å; K1079-V1081 PolarHBondContact O-N 3.05Å; K1079-C1082 PolarHBondContact O-N 3.19Å; K1079-D1083 PolarHBondContact O-N 3.29Å |
| 1080 | L | 82.1 | Confident | 79.3 | Confident | 104 Ų | 104 | 74.7 Ų | 74.7 | 55% | 0.545 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.7 | -41.3 | 176.5 | -178.8 | 64.7 | 0 | 0 | 0 | 111.9 | A1076 H1077 D1083 L1084 | A1076-L1080 PolarHBondContact O-N 3.4Å; H1077-L1080 WeakPolarHBondContact O-CA 3.49Å; H1077-L1080 WeakPolarHBondContact O-CB 3.26Å; H1077-L1080 PolarHBondContact O-N 2.97Å; L1080-D1083 PolarHBondContact O-N 3.22Å; L1080-L1084 HydrophobicContact CD1-CD1 4.49Å; L1080-L1084 HydrophobicContact CD1-CG 4.49Å; L1080-L1084 HydrophobicContact CG-CD1 4.16Å; L1080-L1084 WeakPolarHBondContact O-CB 3.29Å; L1080-L1084 VanDerWaalsContact O-CG 3.28Å; L1080-L1084 WeakPolarHBondContact O-CG 3.33Å; L1080-L1084 PolarHBondContact O-N 2.63Å |
| 1081 | V | 81.6 | Confident | 79.5 | Confident | 44 Ų | 44 | 82.3 Ų | 82.3 | 27% | 0.267 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62 | -47.8 | 175.2 | 176.5 | 0 | 0 | 0 | 0 | 111.1 | L1050 H1077 S1078 K1079 D1083 L1084 L1085 | L1050-V1081 HydrophobicContact CD2-CB 4.03Å; L1050-V1081 HydrophobicContact CD2-CG1 3.88Å; H1077-V1081 PolarHBondContact O-N 3.3Å; S1078-V1081 PolarHBondContact O-N 3.02Å; K1079-V1081 PolarHBondContact O-N 3.05Å; V1081-D1083 VanDerWaalsContact C-N 3.34Å; V1081-D1083 PolarHBondContact O-N 2.55Å; V1081-L1084 PolarHBondContact O-N 3.3Å; V1081-L1085 HydrophobicContact CG1-CD1 4.19Å; V1081-L1085 WeakPolarHBondContact O-CG 3.38Å; V1081-L1085 PolarHBondContact O-N 3.2Å |
| 1082 | C | 83.3 | Confident | 80 | Confident | 2 Ų | 2 | 78.6 Ų | 78.6 | 1% | 0.014 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -61.1 | -39.1 | 176.1 | -75.3 | 0 | 0 | 0 | 0 | 112.8 | P1058 S1078 K1079 L1085 R1086 | P1058-C1082 HydrophobicContact CB-CB 3.96Å; S1078-C1082 WeakPolarHBondContact O-CB 3.29Å; S1078-C1082 PolarHBondContact O-N 3.31Å; S1078-C1082 PolarHBondContact O-SG 2.76Å; K1079-C1082 PolarHBondContact O-N 3.19Å; C1082-L1085 PolarHBondContact O-N 3.46Å; C1082-R1086 WeakPolarHBondContact O-CG 3.47Å; C1082-R1086 PolarHBondContact O-N 2.74Å |
| 1083 | D | 83.4 | Confident | 80.7 | Confident | 78 Ų | 78 | 84.3 Ų | 84.3 | 42% | 0.417 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -71.8 | -34.7 | 176.7 | -74.7 | -27.9 | 0 | 0 | 0 | 112.8 | K1079 L1080 V1081 R1086 V1087 | K1079-D1083 PolarHBondContact O-N 3.29Å; L1080-D1083 PolarHBondContact O-N 3.22Å; V1081-D1083 VanDerWaalsContact C-N 3.34Å; V1081-D1083 PolarHBondContact O-N 2.55Å; D1083-R1086 PolarHBondContact O-N 3.47Å; D1083-R1086 IonicContact OD1-CZ 2.72Å; D1083-R1086 IonicContact OD1-NH1 3.79Å; D1083-R1086 PolarHBondContact OD1-NH1 3.32Å; D1083-V1087 WeakPolarHBondContact O-CG2 3.24Å; D1083-V1087 PolarHBondContact O-N 2.74Å |
| 1084 | L | 83.5 | Confident | 81.1 | Confident | 107 Ų | 107 | 80.6 Ų | 80.6 | 56% | 0.56 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -63.3 | -41.3 | 169.5 | -73.5 | 169 | 0 | 0 | 0 | 111.5 | L1080 V1081 V1087 A1088 | L1080-L1084 HydrophobicContact CD1-CD1 4.49Å; L1080-L1084 HydrophobicContact CD1-CG 4.49Å; L1080-L1084 HydrophobicContact CG-CD1 4.16Å; L1080-L1084 WeakPolarHBondContact O-CB 3.29Å; L1080-L1084 VanDerWaalsContact O-CG 3.28Å; L1080-L1084 WeakPolarHBondContact O-CG 3.33Å; L1080-L1084 PolarHBondContact O-N 2.63Å; V1081-L1084 PolarHBondContact O-N 3.3Å; L1084-V1087 PolarHBondContact O-N 2.95Å; L1084-A1088 WeakPolarHBondContact O-CB 3.34Å; L1084-A1088 PolarHBondContact O-N 2.81Å |
| 1085 | L | 83.2 | Confident | 81.3 | Confident | 50 Ų | 50 | 85.2 Ų | 85.2 | 26% | 0.262 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.3 | -42.4 | 173.6 | -71.1 | 171.3 | 0 | 0 | 0 | 111.8 | A1053 P1058 V1081 C1082 V1087 A1088 E1089 | A1053-L1085 HydrophobicContact CB-CD1 4.06Å; P1058-L1085 HydrophobicContact CG-CB 4.06Å; V1081-L1085 HydrophobicContact CG1-CD1 4.19Å; V1081-L1085 WeakPolarHBondContact O-CG 3.38Å; V1081-L1085 PolarHBondContact O-N 3.2Å; C1082-L1085 PolarHBondContact O-N 3.46Å; L1085-V1087 VanDerWaalsContact C-N 3.31Å; L1085-V1087 PolarHBondContact O-N 3.14Å; L1085-A1088 PolarHBondContact O-N 3.25Å; L1085-E1089 WeakPolarHBondContact O-CB 3.49Å; L1085-E1089 PolarHBondContact O-N 3.41Å |
| 1086 | R | 85.3 | Confident | 81.3 | Confident | 59 Ų | 59 | 85.6 Ų | 85.6 | 22% | 0.223 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -58.2 | -41.2 | 172.2 | -73.1 | 174 | 177.6 | 122.1 | 6.2 | 112.3 | P1058 D1059 C1082 D1083 R1090 | P1058-R1086 HydrophobicContact CG-CG 3.62Å; D1059-R1086 IonicContact OD1-CZ 2.71Å; D1059-R1086 IonicContact OD1-NE 3.31Å; D1059-R1086 PolarHBondContact OD1-NE 2.67Å; D1059-R1086 IonicContact OD1-NH2 2.78Å; D1059-R1086 PolarHBondContact OD1-NH2 3.49Å; D1059-R1086 IonicContact OD2-NE 3.19Å; C1082-R1086 WeakPolarHBondContact O-CG 3.47Å; C1082-R1086 PolarHBondContact O-N 2.74Å; D1083-R1086 PolarHBondContact O-N 3.47Å; D1083-R1086 IonicContact OD1-CZ 2.72Å; D1083-R1086 IonicContact OD1-NH1 3.79Å; D1083-R1086 PolarHBondContact OD1-NH1 3.32Å; R1086-R1090 WeakPolarHBondContact O-CB 3.33Å; R1086-R1090 VanDerWaalsContact O-CG 3.24Å; R1086-R1090 WeakPolarHBondContact O-CG 3.36Å; R1086-R1090 PolarHBondContact O-N 2.98Å |
| 1087 | V | 84.8 | Confident | 81.6 | Confident | 69 Ų | 69 | 86.9 Ų | 86.9 | 42% | 0.418 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -70.7 | -40.6 | 177.9 | 171 | 0 | 0 | 0 | 0 | 111.3 | D1083 L1084 L1085 R1091 | D1083-V1087 WeakPolarHBondContact O-CG2 3.24Å; D1083-V1087 PolarHBondContact O-N 2.74Å; L1084-V1087 PolarHBondContact O-N 2.95Å; L1085-V1087 VanDerWaalsContact C-N 3.31Å; L1085-V1087 PolarHBondContact O-N 3.14Å; V1087-R1091 WeakPolarHBondContact O-CB 3.48Å; V1087-R1091 VanDerWaalsContact O-CG 3.32Å; V1087-R1091 WeakPolarHBondContact O-CG 3.11Å; V1087-R1091 PolarHBondContact O-N 2.92Å |
| 1088 | A | 81 | Confident | 81.8 | Confident | 50 Ų | 50 | 84 Ų | 84 | 41% | 0.413 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.6 | -48.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | L1084 L1085 R1090 R1091 Q1092 | L1084-A1088 WeakPolarHBondContact O-CB 3.34Å; L1084-A1088 PolarHBondContact O-N 2.81Å; L1085-A1088 PolarHBondContact O-N 3.25Å; A1088-R1090 PolarHBondContact O-N 3.17Å; A1088-R1091 WeakPolarHBondContact O-CB 3.04Å; A1088-R1091 PolarHBondContact O-N 2.9Å; A1088-Q1092 WeakPolarHBondContact O-CB 3.4Å; A1088-Q1092 PolarHBondContact O-N 3.18Å |
| 1089 | E | 81.6 | Confident | 81.6 | Confident | 56 Ų | 56 | 86 Ų | 86 | 26% | 0.262 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.9 | -43.6 | 178.8 | -161.4 | -161.4 | 175.3 | 0 | 0 | 111.6 | L1085 R1091 Q1092 R1093 | L1085-E1089 WeakPolarHBondContact O-CB 3.49Å; L1085-E1089 PolarHBondContact O-N 3.41Å; E1089-R1091 VanDerWaalsContact C-N 3.32Å; E1089-R1091 PolarHBondContact O-N 2.96Å; E1089-Q1092 PolarHBondContact O-N 3.16Å; E1089-R1093 HydrophobicContact CG-CG 4.43Å; E1089-R1093 WeakPolarHBondContact O-CB 3.43Å; E1089-R1093 WeakPolarHBondContact O-CG 3.21Å; E1089-R1093 PolarHBondContact O-N 3.27Å; E1089-R1093 IonicContact OE1-CZ 3.21Å; E1089-R1093 IonicContact OE1-NE 2.67Å; E1089-R1093 PolarHBondContact OE1-NE 3.02Å; E1089-R1093 IonicContact OE1-NH2 2.84Å; E1089-R1093 PolarHBondContact OE1-NH2 3.28Å; E1089-R1093 IonicContact OE2-NH2 2.74Å |
| 1090 | R | 83 | Confident | 81.7 | Confident | 184 Ų | 184 | 86.1 Ų | 86.1 | 69% | 0.694 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -60.1 | -40.9 | 174.5 | -75.7 | 175.1 | -175.7 | -166.3 | 3.5 | 112.2 | R1086 A1088 A1094 | R1086-R1090 WeakPolarHBondContact O-CB 3.33Å; R1086-R1090 VanDerWaalsContact O-CG 3.24Å; R1086-R1090 WeakPolarHBondContact O-CG 3.36Å; R1086-R1090 PolarHBondContact O-N 2.98Å; A1088-R1090 PolarHBondContact O-N 3.17Å; R1090-A1094 WeakPolarHBondContact O-CB 3.44Å; R1090-A1094 PolarHBondContact O-N 2.93Å |
| 1091 | R | 80.7 | Confident | 81.8 | Confident | 184 Ų | 184 | 84.2 Ų | 84.2 | 69% | 0.694 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -65.8 | -42.3 | 174.5 | -74.9 | 175.1 | 176.4 | -171.2 | 0.3 | 111.7 | V1087 A1088 E1089 A1094 M1095 | V1087-R1091 WeakPolarHBondContact O-CB 3.48Å; V1087-R1091 VanDerWaalsContact O-CG 3.32Å; V1087-R1091 WeakPolarHBondContact O-CG 3.11Å; V1087-R1091 PolarHBondContact O-N 2.92Å; A1088-R1091 WeakPolarHBondContact O-CB 3.04Å; A1088-R1091 PolarHBondContact O-N 2.9Å; E1089-R1091 VanDerWaalsContact C-N 3.32Å; E1089-R1091 PolarHBondContact O-N 2.96Å; R1091-A1094 PolarHBondContact O-N 3.23Å; R1091-M1095 WeakPolarHBondContact O-CB 3.3Å; R1091-M1095 PolarHBondContact O-N 3.25Å |
| 1092 | Q | 80.3 | Confident | 81.6 | Confident | 113 Ų | 113 | 90.7 Ų | 90.7 | 53% | 0.528 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.6 | -47.7 | 177.9 | -173 | 176.5 | -1.4 | 0 | 0 | 111.4 | A1088 E1089 A1094 M1095 I1096 | A1088-Q1092 WeakPolarHBondContact O-CB 3.4Å; A1088-Q1092 PolarHBondContact O-N 3.18Å; E1089-Q1092 PolarHBondContact O-N 3.16Å; Q1092-A1094 VanDerWaalsContact C-N 3.34Å; Q1092-A1094 PolarHBondContact O-N 3.21Å; Q1092-M1095 PolarHBondContact O-N 2.85Å; Q1092-M1095 VanDerWaalsContact O-N 3.11Å; Q1092-I1096 HydrophobicContact CG-CD1 4.29Å; Q1092-I1096 WeakPolarHBondContact O-CG1 3.38Å; Q1092-I1096 PolarHBondContact O-N 3.05Å |
| 1093 | R | 81.9 | Confident | 81.1 | Confident | 152 Ų | 152 | 92.4 Ų | 92.4 | 57% | 0.574 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -58.1 | -42.7 | 173.9 | -70.2 | 179.5 | -175.7 | -163.3 | 10 | 111.8 | E1089 I1096 Q1097 | E1089-R1093 HydrophobicContact CG-CG 4.43Å; E1089-R1093 WeakPolarHBondContact O-CB 3.43Å; E1089-R1093 WeakPolarHBondContact O-CG 3.21Å; E1089-R1093 PolarHBondContact O-N 3.27Å; E1089-R1093 IonicContact OE1-CZ 3.21Å; E1089-R1093 IonicContact OE1-NE 2.67Å; E1089-R1093 PolarHBondContact OE1-NE 3.02Å; E1089-R1093 IonicContact OE1-NH2 2.84Å; E1089-R1093 PolarHBondContact OE1-NH2 3.28Å; E1089-R1093 IonicContact OE2-NH2 2.74Å; R1093-I1096 PolarHBondContact O-N 3.35Å; R1093-Q1097 WeakPolarHBondContact O-CB 3.45Å; R1093-Q1097 PolarHBondContact O-N 3.35Å |
| 1094 | A | 79.6 | Confident | 80.8 | Confident | 52 Ų | 52 | 92.8 Ų | 92.8 | 43% | 0.43 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -66.7 | -34 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | R1090 R1091 Q1092 T1098 | R1090-A1094 WeakPolarHBondContact O-CB 3.44Å; R1090-A1094 PolarHBondContact O-N 2.93Å; R1091-A1094 PolarHBondContact O-N 3.23Å; Q1092-A1094 VanDerWaalsContact C-N 3.34Å; Q1092-A1094 PolarHBondContact O-N 3.21Å; A1094-T1098 WeakPolarHBondContact O-CB 3.44Å; A1094-T1098 WeakPolarHBondContact O-CG2 3.47Å; A1094-T1098 PolarHBondContact O-N 3.27Å; A1094-T1098 PolarHBondContact O-OG1 2.88Å |
| 1095 | M | 78.4 | Confident | 80.6 | Confident | 111 Ų | 111 | 94.9 Ų | 94.9 | 55% | 0.547 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -71.8 | -38.2 | 175 | -154 | -163.8 | -69.1 | 0 | 0 | 111.7 | F163 R1091 Q1092 T1098 M1099 | F163-M1095 HydrophobicContact CE1-CB 3.99Å; F163-M1095 HydrophobicContact CE1-CG 3.73Å; F163-M1095 HydrophobicContact CE1-SD 3.7Å; F163-M1095 HydrophobicContact CZ-CB 4.08Å; F163-M1095 HydrophobicContact CZ-CG 4.27Å; F163-M1095 HydrophobicContact CZ-SD 4.16Å; R1091-M1095 WeakPolarHBondContact O-CB 3.3Å; R1091-M1095 PolarHBondContact O-N 3.25Å; Q1092-M1095 PolarHBondContact O-N 2.85Å; Q1092-M1095 VanDerWaalsContact O-N 3.11Å; M1095-T1098 WeakPolarHBondContact CA-OG1 3.26Å; M1095-T1098 PolarHBondContact O-OG1 3.46Å; M1095-M1099 WeakPolarHBondContact O-CB 3.46Å; M1095-M1099 PolarHBondContact O-N 2.92Å |
| 1096 | I | 79.2 | Confident | 79.9 | Confident | 55 Ų | 55 | 98 Ų | 98 | 28% | 0.282 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.9 | -49.9 | 170.4 | -67.1 | 167.2 | 0 | 0 | 0 | 109.6 | F163 Q1092 R1093 T1098 M1099 L1100 | F163-I1096 HydrophobicContact CE1-CG1 4.41Å; F163-I1096 HydrophobicContact CE2-CD1 4.32Å; F163-I1096 HydrophobicContact CE2-CG1 3.5Å; F163-I1096 HydrophobicContact CZ-CB 4.33Å; F163-I1096 HydrophobicContact CZ-CG1 3.43Å; F163-I1096 VanDerWaalsContact CZ-CG1 3.43Å; Q1092-I1096 HydrophobicContact CG-CD1 4.29Å; Q1092-I1096 WeakPolarHBondContact O-CG1 3.38Å; Q1092-I1096 PolarHBondContact O-N 3.05Å; R1093-I1096 PolarHBondContact O-N 3.35Å; I1096-T1098 PolarHBondContact O-N 3.34Å; I1096-M1099 CarbonylContact O-C 3.58Å; I1096-M1099 WeakPolarHBondContact O-CB 3.47Å; I1096-M1099 PolarHBondContact O-N 3Å; I1096-L1100 HydrophobicContact CG2-CD1 3.85Å; I1096-L1100 HydrophobicContact CG2-CG 4.26Å; I1096-L1100 WeakPolarHBondContact O-CG 3.39Å; I1096-L1100 PolarHBondContact O-N 2.8Å |
| 1097 | Q | 82.5 | Confident | 79 | Confident | 116 Ų | 116 | 100.2 Ų | 100.2 | 54% | 0.542 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.4 | -47.1 | 179.9 | -175.3 | -177 | -32.7 | 0 | 0 | 111.8 | R1093 M1099 L1100 E1101 | R1093-Q1097 WeakPolarHBondContact O-CB 3.45Å; R1093-Q1097 PolarHBondContact O-N 3.35Å; Q1097-M1099 VanDerWaalsContact C-N 3.26Å; Q1097-M1099 PolarHBondContact O-N 2.99Å; Q1097-L1100 PolarHBondContact O-N 3.06Å; Q1097-L1100 VanDerWaalsContact O-N 3.15Å; Q1097-E1101 PolarHBondContact NE2-OE1 3.19Å; Q1097-E1101 WeakPolarHBondContact O-CG 3.45Å; Q1097-E1101 PolarHBondContact O-N 3.05Å |
| 1098 | T | 83 | Confident | 78.3 | Confident | 71 Ų | 71 | 105.3 Ų | 105.3 | 44% | 0.436 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.7 | -23.3 | 178.2 | 49.4 | 0 | 0 | 0 | 0 | 113.3 | A1094 M1095 I1096 R1102 | A1094-T1098 WeakPolarHBondContact O-CB 3.44Å; A1094-T1098 WeakPolarHBondContact O-CG2 3.47Å; A1094-T1098 PolarHBondContact O-N 3.27Å; A1094-T1098 PolarHBondContact O-OG1 2.88Å; M1095-T1098 WeakPolarHBondContact CA-OG1 3.26Å; M1095-T1098 PolarHBondContact O-OG1 3.46Å; I1096-T1098 PolarHBondContact O-N 3.34Å; T1098-R1102 WeakPolarHBondContact O-CD 3.22Å; T1098-R1102 VanDerWaalsContact O-CG 3.26Å; T1098-R1102 WeakPolarHBondContact O-CG 3.42Å; T1098-R1102 PolarHBondContact O-N 3.38Å |
| 1099 | M | 74.9 | Confident | 77.6 | Confident | 49 Ų | 49 | 106.3 Ų | 106.3 | 24% | 0.241 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -70.9 | -48.8 | 164.8 | -93.7 | -112.3 | 175.6 | 0 | 0 | 112.1 | F163 V164 M1095 I1096 Q1097 E1101 R1102 C1103 | F163-M1099 HydrophobicContact CB-CE 4.36Å; F163-M1099 HydrophobicContact CB-SD 4.1Å; F163-M1099 HydrophobicContact CD1-CB 4.3Å; F163-M1099 HydrophobicContact CD1-CE 3.99Å; F163-M1099 HydrophobicContact CD1-CG 3.57Å; F163-M1099 HydrophobicContact CD1-SD 3.76Å; F163-M1099 HydrophobicContact CE1-CB 4.46Å; F163-M1099 HydrophobicContact CE1-CG 3.94Å; F163-M1099 HydrophobicContact CG-SD 4.36Å; V164-M1099 HydrophobicContact CB-SD 4.13Å; V164-M1099 HydrophobicContact CG2-SD 4.29Å; V164-M1099 PolarHBondContact N-SD 2.86Å; M1095-M1099 WeakPolarHBondContact O-CB 3.46Å; M1095-M1099 PolarHBondContact O-N 2.92Å; I1096-M1099 CarbonylContact O-C 3.58Å; I1096-M1099 WeakPolarHBondContact O-CB 3.47Å; I1096-M1099 PolarHBondContact O-N 3Å; Q1097-M1099 VanDerWaalsContact C-N 3.26Å; Q1097-M1099 PolarHBondContact O-N 2.99Å; M1099-E1101 VanDerWaalsContact C-N 3.32Å; M1099-E1101 PolarHBondContact O-N 3.36Å; M1099-R1102 CarbonylContact O-C 3.6Å; M1099-R1102 WeakPolarHBondContact O-CA 3.35Å; M1099-R1102 WeakPolarHBondContact O-CB 3.22Å; M1099-R1102 PolarHBondContact O-N 3.23Å; M1099-C1103 PolarHBondContact O-N 2.84Å; M1099-C1103 PolarHBondContact O-SG 3.37Å |
| 1100 | L | 82.9 | Confident | 76 | Confident | 103 Ų | 103 | 110 Ų | 110 | 54% | 0.539 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.9 | -41.7 | 177.8 | -70.1 | 171.5 | 0 | 0 | 0 | 111.9 | I1096 Q1097 R1102 C1103 D1104 | I1096-L1100 HydrophobicContact CG2-CD1 3.85Å; I1096-L1100 HydrophobicContact CG2-CG 4.26Å; I1096-L1100 WeakPolarHBondContact O-CG 3.39Å; I1096-L1100 PolarHBondContact O-N 2.8Å; Q1097-L1100 PolarHBondContact O-N 3.06Å; Q1097-L1100 VanDerWaalsContact O-N 3.15Å; L1100-R1102 VanDerWaalsContact C-N 3.26Å; L1100-R1102 PolarHBondContact O-N 2.67Å; L1100-C1103 WeakPolarHBondContact O-CB 3.35Å; L1100-C1103 PolarHBondContact O-N 3.32Å; L1100-D1104 WeakPolarHBondContact O-CB 3.46Å; L1100-D1104 PolarHBondContact O-N 3.12Å |
| 1101 | E | 84.1 | Confident | 74.5 | Confident | 64 Ų | 64 | 109.3 Ų | 109.3 | 30% | 0.299 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.9 | -24.8 | 173.2 | -69.3 | -178.6 | -149 | 0 | 0 | 113.7 | Q1097 M1099 R1105 | Q1097-E1101 PolarHBondContact NE2-OE1 3.19Å; Q1097-E1101 WeakPolarHBondContact O-CG 3.45Å; Q1097-E1101 PolarHBondContact O-N 3.05Å; M1099-E1101 VanDerWaalsContact C-N 3.32Å; M1099-E1101 PolarHBondContact O-N 3.36Å; E1101-R1105 WeakPolarHBondContact O-CB 3.45Å; E1101-R1105 WeakPolarHBondContact O-CD 3.15Å; E1101-R1105 WeakPolarHBondContact O-CG 3.33Å; E1101-R1105 PolarHBondContact O-N 3.04Å; E1101-R1105 PolarHBondContact O-NH1 3.37Å; E1101-R1105 IonicContact OE2-CZ 2.8Å; E1101-R1105 IonicContact OE2-NH1 3.42Å; E1101-R1105 PolarHBondContact OE2-NH1 3.49Å; E1101-R1105 IonicContact OE2-NH2 3.79Å; E1101-R1105 PolarHBondContact OE2-NH2 2.7Å; E1101-R1105 VanDerWaalsContact OE2-NH2 3.07Å |
| 1102 | R | 78 | Confident | 72.8 | Confident | 180 Ų | 180 | 107.5 Ų | 107.5 | 68% | 0.679 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -79.4 | -38.6 | 172 | -76.7 | 172.2 | 178.4 | -163.7 | 0.5 | 111 | T1098 M1099 L1100 F1106 | T1098-R1102 WeakPolarHBondContact O-CD 3.22Å; T1098-R1102 VanDerWaalsContact O-CG 3.26Å; T1098-R1102 WeakPolarHBondContact O-CG 3.42Å; T1098-R1102 PolarHBondContact O-N 3.38Å; M1099-R1102 CarbonylContact O-C 3.6Å; M1099-R1102 WeakPolarHBondContact O-CA 3.35Å; M1099-R1102 WeakPolarHBondContact O-CB 3.22Å; M1099-R1102 PolarHBondContact O-N 3.23Å; L1100-R1102 VanDerWaalsContact C-N 3.26Å; L1100-R1102 PolarHBondContact O-N 2.67Å; R1102-F1106 VanDerWaalsContact O-CB 3.24Å; R1102-F1106 WeakPolarHBondContact O-CB 3.48Å; R1102-F1106 PolarHBondContact O-N 2.75Å |
| 1103 | C | 72.4 | Confident | 72.4 | Confident | 37 Ų | 37 | 107.2 Ų | 107.2 | 25% | 0.25 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -60.6 | -47.6 | 172.6 | -62.2 | 0 | 0 | 0 | 0 | 111.3 | V164 M1099 L1100 F1106 L1107 | V164-C1103 WeakPolarHBondContact CG2-SG 3.48Å; M1099-C1103 PolarHBondContact O-N 2.84Å; M1099-C1103 PolarHBondContact O-SG 3.37Å; L1100-C1103 WeakPolarHBondContact O-CB 3.35Å; L1100-C1103 PolarHBondContact O-N 3.32Å; C1103-F1106 WeakPolarHBondContact O-CB 3.12Å; C1103-F1106 PolarHBondContact O-N 3.17Å; C1103-L1107 WeakPolarHBondContact O-CB 3.47Å; C1103-L1107 VanDerWaalsContact O-CG 3.27Å; C1103-L1107 WeakPolarHBondContact O-CG 3.06Å; C1103-L1107 PolarHBondContact O-N 3.47Å |
| 1104 | D | 77.3 | Confident | 71.9 | Confident | 86 Ų | 86 | 104.8 Ų | 104.8 | 46% | 0.46 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.2 | -53.1 | 178 | -174.9 | 50.5 | 0 | 0 | 0 | 110.8 | L1100 F1106 L1107 W1108 | L1100-D1104 WeakPolarHBondContact O-CB 3.46Å; L1100-D1104 PolarHBondContact O-N 3.12Å; D1104-F1106 PolarHBondContact O-N 2.62Å; D1104-L1107 PolarHBondContact O-N 2.81Å; D1104-W1108 PolarHBondContact O-N 3.42Å; D1104-W1108 VanDerWaalsContact OD1-CD1 3.31Å; D1104-W1108 PolarHBondContact OD1-NE1 3.2Å |
| 1105 | R | 77.8 | Confident | 71.5 | Confident | 152 Ų | 152 | 107.8 Ų | 107.8 | 57% | 0.574 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -55.3 | -37.6 | 174.2 | -72.3 | 174.2 | -172.2 | 115 | 3.6 | 112.8 | E1101 S1109 | E1101-R1105 WeakPolarHBondContact O-CB 3.45Å; E1101-R1105 WeakPolarHBondContact O-CD 3.15Å; E1101-R1105 WeakPolarHBondContact O-CG 3.33Å; E1101-R1105 PolarHBondContact O-N 3.04Å; E1101-R1105 PolarHBondContact O-NH1 3.37Å; E1101-R1105 IonicContact OE2-CZ 2.8Å; E1101-R1105 IonicContact OE2-NH1 3.42Å; E1101-R1105 PolarHBondContact OE2-NH1 3.49Å; E1101-R1105 IonicContact OE2-NH2 3.79Å; E1101-R1105 PolarHBondContact OE2-NH2 2.7Å; E1101-R1105 VanDerWaalsContact OE2-NH2 3.07Å; R1105-S1109 WeakPolarHBondContact O-CB 3.23Å; R1105-S1109 PolarHBondContact O-N 3.45Å; R1105-S1109 PolarHBondContact O-OG 3.45Å |
| 1106 | F | 70.4 | Confident | 71.1 | Confident | 114 Ų | 114 | 107.6 Ų | 107.6 | 50% | 0.5 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.5 | -44.5 | 175.5 | 177.6 | -99.5 | 0 | 0 | 0 | 112.3 | R1102 C1103 D1104 S1109 Q1110 | R1102-F1106 VanDerWaalsContact O-CB 3.24Å; R1102-F1106 WeakPolarHBondContact O-CB 3.48Å; R1102-F1106 PolarHBondContact O-N 2.75Å; C1103-F1106 WeakPolarHBondContact O-CB 3.12Å; C1103-F1106 PolarHBondContact O-N 3.17Å; D1104-F1106 PolarHBondContact O-N 2.62Å; F1106-S1109 WeakPolarHBondContact CA-OG 3.3Å; F1106-S1109 CarbonylContact O-C 3.55Å; F1106-S1109 PolarHBondContact O-N 3.13Å; F1106-S1109 VanDerWaalsContact O-N 3.13Å; F1106-S1109 PolarHBondContact O-OG 3.19Å; F1106-Q1110 HydrophobicContact CD1-CG 4.44Å; F1106-Q1110 HydrophobicContact CE1-CG 4.06Å; F1106-Q1110 HydrophobicContact CZ-CG 4.13Å; F1106-Q1110 WeakPolarHBondContact O-CG 3.49Å; F1106-Q1110 PolarHBondContact O-N 3.02Å; F1106-Q1110 VanDerWaalsContact O-N 3.12Å |
| 1107 | L | 65.1 | Low | 70.6 | Confident | 107 Ų | 107 | 110.9 Ų | 110.9 | 56% | 0.56 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63.3 | -41.5 | 177.1 | -71.7 | 166.3 | 0 | 0 | 0 | 112.1 | C1103 D1104 S1109 Q1110 H1111 | C1103-L1107 WeakPolarHBondContact O-CB 3.47Å; C1103-L1107 VanDerWaalsContact O-CG 3.27Å; C1103-L1107 WeakPolarHBondContact O-CG 3.06Å; C1103-L1107 PolarHBondContact O-N 3.47Å; D1104-L1107 PolarHBondContact O-N 2.81Å; L1107-S1109 VanDerWaalsContact C-N 3.33Å; L1107-S1109 PolarHBondContact O-N 3.05Å; L1107-Q1110 PolarHBondContact O-N 3.44Å; L1107-Q1110 VanDerWaalsContact O-N 3.14Å; L1107-H1111 PolarHBondContact O-N 2.96Å |
| 1108 | W | 70.6 | Confident | 69.8 | Low | 176 Ų | 176 | 110.5 Ų | 110.5 | 67% | 0.667 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -62.8 | -38 | 171.3 | -73.3 | 106.1 | 0 | 0 | 0 | 112.1 | D1104 Q1110 H1111 | D1104-W1108 PolarHBondContact O-N 3.42Å; D1104-W1108 VanDerWaalsContact OD1-CD1 3.31Å; D1104-W1108 PolarHBondContact OD1-NE1 3.2Å; W1108-Q1110 PolarHBondContact O-N 3.3Å; W1108-H1111 PolarHBondContact O-N 2.94Å; W1108-H1111 VanDerWaalsContact O-N 3.11Å |
| 1109 | S | 66 | Low | 68.8 | Low | 70 Ų | 70 | 113.4 Ų | 113.4 | 49% | 0.49 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72 | -5.3 | 174.5 | 75.8 | 0 | 0 | 0 | 0 | 115.2 | R1105 F1106 L1107 | R1105-S1109 WeakPolarHBondContact O-CB 3.23Å; R1105-S1109 PolarHBondContact O-N 3.45Å; R1105-S1109 PolarHBondContact O-OG 3.45Å; F1106-S1109 WeakPolarHBondContact CA-OG 3.3Å; F1106-S1109 CarbonylContact O-C 3.55Å; F1106-S1109 PolarHBondContact O-N 3.13Å; F1106-S1109 VanDerWaalsContact O-N 3.13Å; F1106-S1109 PolarHBondContact O-OG 3.19Å; L1107-S1109 VanDerWaalsContact C-N 3.33Å; L1107-S1109 PolarHBondContact O-N 3.05Å |
| 1110 | Q | 48.1 | Very low | 68.3 | Low | 134 Ų | 134 | 118.3 Ų | 118.3 | 63% | 0.626 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | -6.1 | 170.8 | -68.2 | -90.2 | -57.7 | 0 | 0 | 112.3 | F1106 L1107 W1108 | F1106-Q1110 HydrophobicContact CD1-CG 4.44Å; F1106-Q1110 HydrophobicContact CE1-CG 4.06Å; F1106-Q1110 HydrophobicContact CZ-CG 4.13Å; F1106-Q1110 WeakPolarHBondContact O-CG 3.49Å; F1106-Q1110 PolarHBondContact O-N 3.02Å; F1106-Q1110 VanDerWaalsContact O-N 3.12Å; L1107-Q1110 PolarHBondContact O-N 3.44Å; L1107-Q1110 VanDerWaalsContact O-N 3.14Å; W1108-Q1110 PolarHBondContact O-N 3.3Å |
| 1111 | H | 51.4 | Low | 67.1 | Low | 169 Ų | 169 | 119.6 Ų | 119.6 | 78% | 0.782 | 59% | 0.591 | S | S | * | * | trans | -108.8 | 2 | -179.7 | -99.9 | 71.8 | 0 | 0 | 0 | 113.7 | L1107 W1108 | L1107-H1111 PolarHBondContact O-N 2.96Å; W1108-H1111 PolarHBondContact O-N 2.94Å; W1108-H1111 VanDerWaalsContact O-N 3.11Å | ||
| 1112 | A | 44.4 | Very low | 65.6 | Low | 146 Ų | 146 | 124.6 Ų | 124.6 | 100% | 1.207 | 62% | 0.618 | S | S | * | * | trans | -123 | 0 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111 |
Retrieved 1,112 of 1,112 residues in 1296.7 ms
(Link to these results)