| 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 | 83 | Confident | 81.9 | Confident | 19 Ų | 19 | 38.8 Ų | 38.8 | 9% | 0.094 | 24% | 0.239 | C | C | . | . | 0 | 127.5 | 0 | 175.7 | -173 | -85.7 | 0 | 0 | 107.4 | W345 W362 L382 L383 | M1-W345 VanDerWaalsContact O-CD1 3.28Å; M1-W345 PolarHBondContact O-NE1 2.9Å; M1-W345 VanDerWaalsContact O-NE1 3.15Å; M1-W362 HydrophobicContact CE-CH2 4.35Å; M1-W362 HydrophobicContact CE-CZ3 3.86Å; M1-W362 HydrophobicContact SD-CH2 3.76Å; M1-W362 HydrophobicContact SD-CZ3 3.57Å; M1-W362 VanDerWaalsContact SD-CZ3 3.57Å; M1-L382 HydrophobicContact CG-CB 4.21Å; M1-L382 HydrophobicContact CG-CD1 4.29Å; M1-L382 HydrophobicContact SD-CD1 3.9Å; M1-L383 CarbonylContact C-O 3.59Å; M1-L383 WeakPolarHBondContact CA-O 3.44Å | |||
| 2 | Y | 87.4 | Confident | 81.2 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 140.8 | -164.3 | -59.3 | -83.4 | 0 | 0 | 0 | 112.7 | L382 L383 L724 V736 L747 | Y2-L382 CarbonylContact O-C 3.5Å; Y2-L382 WeakPolarHBondContact O-CA 3.24Å; Y2-L383 PolarHBondContact N-O 3.39Å; Y2-L383 PolarHBondContact O-N 3.3Å; Y2-L724 HydrophobicContact CE2-CD1 3.96Å; Y2-L724 HydrophobicContact CE2-CD2 4.41Å; Y2-V736 HydrophobicContact CD1-CG1 4.38Å; Y2-V736 HydrophobicContact CE1-CB 4.22Å; Y2-V736 HydrophobicContact CE1-CG1 4.37Å; Y2-V736 VanDerWaalsContact CE1-O 3.31Å; Y2-V736 WeakPolarHBondContact CE1-O 3.41Å; Y2-V736 HydrophobicContact CE2-CB 4.27Å; Y2-V736 PolarHBondContact OH-O 3.2Å; Y2-L747 HydrophobicContact CD1-CD2 3.84Å; Y2-L747 HydrophobicContact CG-CD2 4.06Å |
| 3 | P | 86.9 | Confident | 79.7 | Confident | 12 Ų | 12 | 40.6 Ų | 40.6 | 8% | 0.078 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 145.8 | -179.4 | 32.5 | -35 | 0 | 0 | 0 | 111.6 | W345 L380 L382 L747 | P3-W345 HydrophobicContact CG-CD2 3.92Å; P3-W345 HydrophobicContact CG-CE3 4.09Å; P3-W345 HydrophobicContact CG-CG 4.23Å; P3-W345 HydrophobicContact CG-CZ3 4.49Å; P3-L380 HydrophobicContact CB-CD1 3.97Å; P3-L380 HydrophobicContact CB-CD2 4.15Å; P3-L380 HydrophobicContact CB-CG 4.38Å; P3-L382 HydrophobicContact CB-CD2 4.22Å; P3-L747 VanDerWaalsContact O-CD1 3.22Å; P3-L747 WeakPolarHBondContact O-CD1 3.48Å |
| 4 | V | 79.6 | Confident | 77.8 | Confident | 9 Ų | 9 | 40.8 Ų | 40.8 | 6% | 0.055 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 124.4 | 174.8 | -169 | 0 | 0 | 0 | 0 | 111.5 | I111 F112 L381 L383 L424 L747 | V4-I111 HydrophobicContact CG1-CG2 3.47Å; V4-I111 VanDerWaalsContact CG1-CG2 3.47Å; V4-F112 HydrophobicContact CG1-CE1 4.38Å; V4-F112 HydrophobicContact CG1-CE2 4.47Å; V4-F112 HydrophobicContact CG1-CZ 3.77Å; V4-L381 PolarHBondContact N-O 3.48Å; V4-L383 HydrophobicContact CG2-CB 4.28Å; V4-L383 HydrophobicContact CG2-CD1 3.27Å; V4-L383 HydrophobicContact CG2-CD2 4.48Å; V4-L383 HydrophobicContact CG2-CG 3.39Å; V4-L424 HydrophobicContact CG1-CD2 3.82Å; V4-L424 HydrophobicContact CG2-CD2 3.91Å; V4-L747 HydrophobicContact CG2-CD1 4.2Å |
| 5 | G | 74 | Confident | 75.6 | Confident | 13 Ų | 13 | 46.9 Ų | 46.9 | 13% | 0.134 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 72.8 | -171 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 6 | V | 75.8 | Confident | 73.8 | Confident | 108 Ų | 108 | 54.9 Ų | 54.9 | 66% | 0.655 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 140 | 178.5 | -176.9 | 0 | 0 | 0 | 0 | 109.2 | Q8 L744 | V6-Q8 PolarHBondContact O-N 3Å; V6-L744 HydrophobicContact CB-CD1 4.3Å; V6-L744 HydrophobicContact CG1-CD1 4Å; V6-L744 HydrophobicContact CG2-CB 4.24Å; V6-L744 HydrophobicContact CG2-CD1 4.03Å |
| 7 | P | 82.2 | Confident | 72.6 | Confident | 12 Ų | 12 | 55.6 Ų | 55.6 | 8% | 0.078 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54 | 127.2 | 172.6 | -22.3 | 30.6 | 0 | 0 | 0 | 111.5 | S9 L350 M371 F378 L380 | P7-S9 PolarHBondContact O-N 3Å; P7-L350 HydrophobicContact CG-CD1 4.39Å; P7-L350 HydrophobicContact CG-CD2 3.65Å; P7-L350 HydrophobicContact CG-CG 3.73Å; P7-M371 HydrophobicContact CB-CE 4.21Å; P7-M371 HydrophobicContact CG-CE 4.48Å; P7-F378 HydrophobicContact CB-CB 4.17Å; P7-F378 HydrophobicContact CB-CD1 4.05Å; P7-F378 HydrophobicContact CB-CG 4.4Å; P7-L380 HydrophobicContact CG-CD1 4.29Å |
| 8 | Q | 84 | Confident | 72 | Confident | 74 Ų | 74 | 58.5 Ų | 58.5 | 35% | 0.346 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 116.1 | 177.6 | -176.9 | 177.1 | 7.1 | 0 | 0 | 109.5 | V6 L10 F378 A379 | V6-Q8 PolarHBondContact O-N 3Å; Q8-L10 HydrophobicContact CG-CD2 4.26Å; Q8-F378 CarbonylContact O-C 3.56Å; Q8-F378 VanDerWaalsContact O-CA 3.3Å; Q8-F378 WeakPolarHBondContact O-CA 3.48Å; Q8-A379 PolarHBondContact N-O 2.86Å; Q8-A379 PolarHBondContact O-N 3.06Å |
| 9 | S | 85.2 | Confident | 72.1 | Confident | 69 Ų | 69 | 57.3 Ų | 57.3 | 48% | 0.483 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 132.3 | 169.3 | -173.2 | 0 | 0 | 0 | 0 | 110.2 | P7 | P7-S9 PolarHBondContact O-N 3Å |
| 10 | L | 84.4 | Confident | 72.9 | Confident | 8 Ų | 8 | 56.3 Ų | 56.3 | 4% | 0.042 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 130.7 | 178.8 | -61.7 | -177 | 0 | 0 | 0 | 109.6 | Q8 L12 P49 W370 L377 A379 | Q8-L10 HydrophobicContact CG-CD2 4.26Å; L10-L12 PolarHBondContact O-N 3.36Å; L10-P49 HydrophobicContact CD1-CB 3.77Å; L10-P49 HydrophobicContact CD2-CB 3.71Å; L10-P49 HydrophobicContact CD2-CG 3.64Å; L10-P49 HydrophobicContact CG-CB 4.38Å; L10-W370 HydrophobicContact CD1-CD2 4.4Å; L10-W370 HydrophobicContact CD1-CE3 4.18Å; L10-W370 HydrophobicContact CD1-CH2 3.6Å; L10-W370 HydrophobicContact CD1-CZ2 3.83Å; L10-W370 HydrophobicContact CD1-CZ3 3.79Å; L10-L377 HydrophobicContact CB-CB 4.27Å; L10-L377 HydrophobicContact CB-CD2 3.8Å; L10-L377 HydrophobicContact CB-CG 3.91Å; L10-L377 HydrophobicContact CD1-CD2 3.91Å; L10-L377 HydrophobicContact CD1-CG 4.01Å; L10-L377 HydrophobicContact CG-CD2 4.47Å; L10-L377 HydrophobicContact CG-CG 4.4Å; L10-L377 PolarHBondContact N-O 3.1Å; L10-A379 HydrophobicContact CD1-CB 4.18Å |
| 11 | P | 78.6 | Confident | 73.6 | Confident | 103 Ų | 103 | 53.6 Ų | 53.6 | 67% | 0.669 | 34% | 0.343 | S | S | * | . | trans | -67.1 | 125.8 | -175.1 | 26.8 | -34.1 | 0 | 0 | 0 | 111.4 | T13 | P11-T13 PolarHBondContact O-N 3.15Š| ||
| 12 | L | 73.4 | Confident | 74 | Confident | 40 Ų | 40 | 55.8 Ų | 55.8 | 21% | 0.209 | 35% | 0.351 | C | S | . | . | trans | -73.6 | 122.4 | 172.3 | -61.9 | -175.4 | 0 | 0 | 0 | 109.7 | L10 S14 V19 V21 F37 S375 L377 | L10-L12 PolarHBondContact O-N 3.36Å; L12-S14 PolarHBondContact O-N 3.36Å; L12-S14 VanDerWaalsContact O-N 3.11Å; L12-V19 HydrophobicContact CD1-CB 4.21Å; L12-V19 HydrophobicContact CD1-CG1 4.12Å; L12-V21 HydrophobicContact CD1-CG2 3.62Å; L12-V21 HydrophobicContact CD2-CG2 4.15Å; L12-F37 HydrophobicContact CD2-CE1 3.91Å; L12-F37 HydrophobicContact CD2-CZ 4.16Å; L12-S375 VanDerWaalsContact CD1-O 3.26Å; L12-S375 WeakPolarHBondContact CD1-O 3.38Å; L12-L377 HydrophobicContact CD2-CB 3.76Å | ||
| 13 | T | 61.2 | Low | 74.3 | Confident | 61 Ų | 61 | 56.6 Ų | 56.6 | 37% | 0.374 | 35% | 0.354 | S | S | . | . | trans | -86.6 | 76.4 | -177.4 | 52.2 | 0 | 0 | 0 | 0 | 112 | P11 C51 N54 | P11-T13 PolarHBondContact O-N 3.15Å; T13-C51 HydrophobicContact CG2-CB 4.09Å; T13-C51 PolarHBondContact OG1-SG 3.34Å; T13-N54 PolarHBondContact O-ND2 3.41Å | ||
| 14 | S | 53.4 | Low | 74.6 | Confident | 43 Ų | 43 | 56.1 Ų | 56.1 | 30% | 0.301 | 35% | 0.351 | S | S | . | . | trans | -130.3 | 138.8 | 150.5 | 110.8 | 0 | 0 | 0 | 0 | 109.5 | L12 E16 V19 | L12-S14 PolarHBondContact O-N 3.36Å; L12-S14 VanDerWaalsContact O-N 3.11Å; S14-E16 PolarHBondContact OG-O 3.18Å; S14-V19 WeakPolarHBondContact OG-CG2 3.39Å | ||
| 15 | P | 45 | Very low | 75.4 | Confident | 133 Ų | 133 | 56.6 Ų | 56.6 | 86% | 0.864 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -82.8 | -15 | 177.4 | 31.8 | -33.8 | 0 | 0 | 0 | 113.4 | ||
| 16 | E | 46.1 | Very low | 76.4 | Confident | 175 Ų | 175 | 56.4 Ų | 56.4 | 82% | 0.818 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -143.3 | 114.2 | -171.9 | -64 | -174.7 | 171.5 | 0 | 0 | 111.2 | S14 | S14-E16 PolarHBondContact OG-O 3.18Š|
| 17 | G | 54.4 | Low | 77.3 | Confident | 67 Ų | 67 | 51.5 Ų | 51.5 | 69% | 0.691 | 32% | 0.322 | S | S | * | . | S | Bend | trans | 112.2 | 159.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | V19 | G17-V19 PolarHBondContact O-N 3.29Š|
| 18 | A | 62.3 | Low | 77.8 | Confident | 107 Ų | 107 | 60.3 Ų | 60.3 | 88% | 0.884 | 35% | 0.353 | S | S | * | . | trans | -75.9 | 111.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | T20 | A18-T20 PolarHBondContact O-N 3.43Š| ||
| 19 | V | 73.8 | Confident | 78 | Confident | 36 Ų | 36 | 61.9 Ų | 61.9 | 22% | 0.218 | 36% | 0.361 | C | S | . | . | trans | -86.4 | 111.4 | -175.1 | -179.8 | 0 | 0 | 0 | 0 | 110.5 | L12 S14 G17 F37 | L12-V19 HydrophobicContact CD1-CB 4.21Å; L12-V19 HydrophobicContact CD1-CG1 4.12Å; S14-V19 WeakPolarHBondContact OG-CG2 3.39Å; G17-V19 PolarHBondContact O-N 3.29Å; V19-F37 HydrophobicContact CG1-CB 4.31Å; V19-F37 HydrophobicContact CG1-CD1 3.25Å; V19-F37 HydrophobicContact CG1-CE1 3.65Å; V19-F37 HydrophobicContact CG1-CG 3.92Å | ||
| 20 | T | 86.4 | Confident | 78.4 | Confident | 36 Ų | 36 | 60.8 Ų | 60.8 | 22% | 0.221 | 35% | 0.346 | C | S | . | . | trans | -81.2 | 123.5 | 167.9 | -37.3 | 0 | 0 | 0 | 0 | 110.2 | A18 F37 D38 R374 | A18-T20 PolarHBondContact O-N 3.43Å; T20-F37 WeakPolarHBondContact O-CA 3.08Å; T20-D38 WeakPolarHBondContact CB-OD2 3.42Å; T20-D38 PolarHBondContact O-N 2.99Å; T20-D38 PolarHBondContact OG1-OD2 2.87Å; T20-R374 WeakPolarHBondContact CA-O 3.16Å; T20-R374 HydrophobicContact CG2-CB 4.4Å | ||
| 21 | V | 88.9 | Confident | 78.6 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 131.8 | 169.9 | -155.4 | 0 | 0 | 0 | 0 | 109.5 | L12 I35 F37 V372 R374 | L12-V21 HydrophobicContact CD1-CG2 3.62Å; L12-V21 HydrophobicContact CD2-CG2 4.15Å; V21-I35 HydrophobicContact CG1-CG2 3.65Å; V21-F37 HydrophobicContact CB-CD1 4.35Å; V21-F37 HydrophobicContact CB-CE1 4.33Å; V21-F37 HydrophobicContact CG1-CD1 4.17Å; V21-F37 HydrophobicContact CG1-CE1 3.93Å; V21-F37 HydrophobicContact CG2-CD1 4.23Å; V21-F37 HydrophobicContact CG2-CE1 3.94Å; V21-V372 HydrophobicContact CB-CB 4.39Å; V21-V372 HydrophobicContact CG1-CB 3.97Å; V21-V372 HydrophobicContact CG1-CG1 3.66Å; V21-V372 HydrophobicContact CG1-CG2 4.46Å; V21-R374 PolarHBondContact N-O 2.99Å |
| 22 | R | 90.4 | Very high | 79.4 | Confident | 66 Ų | 66 | 57.5 Ų | 57.5 | 25% | 0.249 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | -46.1 | -176.7 | -64.8 | -64.9 | 175.8 | 162.9 | -1.5 | 113.2 | A36 D38 C68 | R22-A36 HydrophobicContact CB-CB 4.38Å; R22-A36 PolarHBondContact N-O 3.44Å; R22-D38 IonicContact CZ-OD1 3.22Å; R22-D38 IonicContact NE-OD1 3.53Å; R22-D38 PolarHBondContact NE-OD1 3.35Å; R22-D38 IonicContact NH2-OD1 3.85Å; R22-D38 PolarHBondContact NH2-OD1 3.45Å; R22-D38 IonicContact NH2-OD2 3.64Å; R22-D38 PolarHBondContact NH2-OD2 3.29Å; R22-C68 WeakPolarHBondContact CB-O 3.08Å |
| 23 | F | 93.7 | Very high | 80.4 | Confident | 17 Ų | 17 | 55.6 Ų | 55.6 | 8% | 0.075 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 155.4 | -172.4 | -151.9 | -99.5 | 0 | 0 | 0 | 111.7 | I35 A36 E69 R70 L71 R359 | F23-I35 WeakPolarHBondContact O-CA 3.49Å; F23-A36 HydrophobicContact CB-CB 4.16Å; F23-A36 PolarHBondContact O-N 3.1Å; F23-E69 WeakPolarHBondContact CD2-O 3.49Å; F23-R70 HydrophobicContact CD2-CB 4.22Å; F23-R70 HydrophobicContact CD2-CG 4.05Å; F23-R70 HydrophobicContact CE1-CB 4.49Å; F23-R70 HydrophobicContact CE2-CB 4.15Å; F23-R70 HydrophobicContact CE2-CG 3.91Å; F23-R70 HydrophobicContact CG-CB 4.43Å; F23-R70 HydrophobicContact CZ-CB 4.28Å; F23-R70 HydrophobicContact CZ-CG 4.44Å; F23-L71 HydrophobicContact CD1-CB 3.99Å; F23-L71 HydrophobicContact CD1-CG 4.3Å; F23-L71 VanDerWaalsContact CD1-N 3.34Å; F23-L71 HydrophobicContact CE1-CB 4.45Å; F23-R359 HydrophobicContact CD2-CG 4.36Å; F23-R359 HydrophobicContact CE2-CG 4.09Å; F23-R359 HydrophobicContact CZ-CG 4.19Å |
| 24 | L | 94.8 | Very high | 82 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 145.2 | 169.4 | 86.6 | 92.8 | 0 | 0 | 0 | 109.5 | A34 I35 R359 D361 W370 V372 | L24-A34 CarbonylContact C-O 3.55Å; L24-A34 WeakPolarHBondContact CA-O 3.29Å; L24-I35 HydrophobicContact CB-CG1 4.29Å; L24-R359 HydrophobicContact CG-CG 4.49Å; L24-D361 HydrophobicContact CD1-CB 3.39Å; L24-W370 HydrophobicContact CD1-CB 4.24Å; L24-V372 HydrophobicContact CB-CG1 4.2Å; L24-V372 HydrophobicContact CD2-CB 4.17Å; L24-V372 HydrophobicContact CD2-CG1 3.6Å; L24-V372 HydrophobicContact CD2-CG2 3.93Å |
| 25 | S | 95.1 | Very high | 84 | Confident | 19 Ų | 19 | 50.7 Ų | 50.7 | 13% | 0.133 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 128.4 | 172.4 | -178 | 0 | 0 | 0 | 0 | 110.9 | A34 W73 | S25-A34 PolarHBondContact N-O 3.43Å; S25-A34 PolarHBondContact O-N 3.36Å; S25-W73 PolarHBondContact O-NE1 3.17Å |
| 26 | C | 95.5 | Very high | 86.3 | Confident | 10 Ų | 10 | 44.3 Ų | 44.3 | 7% | 0.068 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 149.8 | 173.8 | -66.2 | 0 | 0 | 0 | 0 | 111.5 | R30 F32 W73 D361 | C26-R30 HydrophobicContact CB-CB 4.38Å; C26-R30 HydrophobicContact CB-CG 4.3Å; C26-F32 CarbonylContact C-O 3.6Å; C26-F32 VanDerWaalsContact CA-O 3.28Å; C26-F32 WeakPolarHBondContact CA-O 3.29Å; C26-W73 VanDerWaalsContact C-CD1 3.48Å; C26-D361 HydrophobicContact CB-CB 4.44Å; C26-D361 WeakPolarHBondContact CB-OD2 3.47Å; C26-D361 PolarHBondContact N-OD2 3.39Å |
| 27 | N | 95.2 | Very high | 88.4 | Confident | 5 Ų | 5 | 36.4 Ų | 36.4 | 3% | 0.027 | 20% | 0.201 | C | C | . | . | trans | -70.4 | 170.6 | 170.1 | 82.3 | -46.8 | 0 | 0 | 0 | 111 | E29 R30 E31 F32 W73 S77 | N27-E29 VanDerWaalsContact C-N 3.31Å; N27-E29 PolarHBondContact O-N 3.04Å; N27-R30 WeakPolarHBondContact O-CA 3.08Å; N27-R30 PolarHBondContact O-N 2.95Å; N27-R30 WeakPolarHBondContact OD1-CA 3.33Å; N27-R30 PolarHBondContact OD1-N 3.07Å; N27-R30 VanDerWaalsContact OD1-N 3.08Å; N27-E31 PolarHBondContact OD1-N 3.04Å; N27-F32 PolarHBondContact N-O 2.97Å; N27-F32 PolarHBondContact OD1-N 3.09Å; N27-F32 PolarHBondContact OD1-O 3.29Å; N27-W73 HydrophobicContact CB-CD2 3.73Å; N27-W73 HydrophobicContact CB-CE3 3.92Å; N27-W73 HydrophobicContact CB-CG 4.18Å; N27-W73 HydrophobicContact CB-CH2 4.18Å; N27-W73 HydrophobicContact CB-CZ2 4.03Å; N27-W73 HydrophobicContact CB-CZ3 4.14Å; N27-S77 PolarHBondContact ND2-OG 3.29Å | ||
| 28 | R | 91.9 | Very high | 90 | Very high | 196 Ų | 196 | 35.3 Ų | 35.3 | 74% | 0.74 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -38.9 | -176.5 | -174.8 | 179.9 | 177.7 | -172.3 | -2.5 | 114.4 | R30 P75 | R28-R30 VanDerWaalsContact C-N 3.25Å; R28-R30 PolarHBondContact O-N 3.48Å; R28-P75 VanDerWaalsContact CD-O 3.26Å; R28-P75 WeakPolarHBondContact CD-O 3.1Å |
| 29 | E | 89.1 | Confident | 91.2 | Very high | 108 Ų | 108 | 33.9 Ų | 33.9 | 51% | 0.505 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -15 | 175.4 | -70.1 | -86.4 | 149.6 | 0 | 0 | 112.9 | N27 E31 R364 | N27-E29 VanDerWaalsContact C-N 3.31Å; N27-E29 PolarHBondContact O-N 3.04Å; E29-E31 HydrophobicContact CB-CB 4.5Å; E29-E31 HydrophobicContact CB-CG 4.09Å; E29-E31 PolarHBondContact O-N 2.88Å; E29-R364 IonicContact OE2-CZ 2.76Å; E29-R364 IonicContact OE2-NH2 3.47Å; E29-R364 PolarHBondContact OE2-NH2 3.46Å |
| 30 | R | 92.6 | Very high | 92 | Very high | 46 Ų | 46 | 32.7 Ų | 32.7 | 17% | 0.174 | 15% | 0.148 | C | C | . | . | S | Bend | trans | 57.8 | 29 | -174.7 | -51.8 | 169.9 | -179.2 | -83.4 | 9.3 | 113.8 | C26 N27 R28 T46 D361 W362 S363 R364 | C26-R30 HydrophobicContact CB-CB 4.38Å; C26-R30 HydrophobicContact CB-CG 4.3Å; N27-R30 WeakPolarHBondContact O-CA 3.08Å; N27-R30 PolarHBondContact O-N 2.95Å; N27-R30 WeakPolarHBondContact OD1-CA 3.33Å; N27-R30 PolarHBondContact OD1-N 3.07Å; N27-R30 VanDerWaalsContact OD1-N 3.08Å; R28-R30 VanDerWaalsContact C-N 3.25Å; R28-R30 PolarHBondContact O-N 3.48Å; R30-T46 WeakPolarHBondContact O-CG2 3.36Å; R30-T46 PolarHBondContact O-OG1 3.5Å; R30-D361 IonicContact CZ-OD1 2.73Å; R30-D361 IonicContact NH1-OD1 2.7Å; R30-D361 PolarHBondContact NH1-OD1 3.39Å; R30-W362 WeakPolarHBondContact CB-O 3.5Å; R30-W362 VanDerWaalsContact CD-O 3.3Å; R30-W362 WeakPolarHBondContact CD-O 3.35Å; R30-W362 WeakPolarHBondContact CG-O 2.84Å; R30-W362 PolarHBondContact NH1-O 2.86Å; R30-S363 VanDerWaalsContact CB-C 3.42Å; R30-S363 WeakPolarHBondContact CD-O 3.45Å; R30-R364 PolarHBondContact O-N 3.19Å; R30-R364 VanDerWaalsContact O-N 3.09Å |
| 31 | E | 89.6 | Confident | 92.3 | Very high | 31 Ų | 31 | 31 Ų | 31 | 15% | 0.145 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -87.5 | -29.7 | 172 | -70.3 | -169.8 | 152.2 | 0 | 0 | 112.5 | N27 E29 F45 T46 R364 | N27-E31 PolarHBondContact OD1-N 3.04Å; E29-E31 HydrophobicContact CB-CB 4.5Å; E29-E31 HydrophobicContact CB-CG 4.09Å; E29-E31 PolarHBondContact O-N 2.88Å; E31-F45 HydrophobicContact CB-CE2 4.4Å; E31-F45 WeakPolarHBondContact O-CD2 3.43Å; E31-T46 WeakPolarHBondContact CA-OG1 3.47Å; E31-T46 PolarHBondContact O-N 3.45Å; E31-T46 PolarHBondContact O-OG1 3.35Å; E31-R364 IonicContact OE1-CZ 3.52Å; E31-R364 IonicContact OE1-NE 3.69Å; E31-R364 IonicContact OE1-NH1 2.63Å; E31-R364 PolarHBondContact OE1-NH1 2.85Å; E31-R364 IonicContact OE1-NH2 3.68Å; E31-R364 PolarHBondContact OE1-NH2 2.76Å |
| 32 | F | 94.1 | Very high | 92.5 | Very high | 11 Ų | 11 | 31.1 Ų | 31.1 | 5% | 0.048 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 138.2 | 179.3 | -53.3 | -71.2 | 0 | 0 | 0 | 110.7 | C26 N27 L43 F44 F45 L52 W73 V96 W98 P127 | C26-F32 CarbonylContact C-O 3.6Å; C26-F32 VanDerWaalsContact CA-O 3.28Å; C26-F32 WeakPolarHBondContact CA-O 3.29Å; N27-F32 PolarHBondContact N-O 2.97Å; N27-F32 PolarHBondContact OD1-N 3.09Å; N27-F32 PolarHBondContact OD1-O 3.29Å; F32-L43 HydrophobicContact CB-CD1 3.96Å; F32-F44 CarbonylContact C-O 3.54Å; F32-F44 VanDerWaalsContact CA-O 3.28Å; F32-F44 WeakPolarHBondContact CA-O 3.47Å; F32-F45 AromaticContact CD1-CD2 3.93Å; F32-F45 HydrophobicContact CD1-CD2 3.93Å; F32-F45 AromaticContact CE1-CD2 3.67Å; F32-F45 HydrophobicContact CE1-CD2 3.67Å; F32-F45 HydrophobicContact CE1-CE2 4.06Å; F32-F45 HydrophobicContact CZ-CE2 4.49Å; F32-L52 HydrophobicContact CD1-CD1 3.67Å; F32-L52 HydrophobicContact CE1-CD1 3.67Å; F32-W73 HydrophobicContact CB-CH2 4.21Å; F32-W73 HydrophobicContact CB-CZ2 4.24Å; F32-V96 HydrophobicContact CE1-CG1 4.49Å; F32-V96 HydrophobicContact CE2-CG2 4.31Å; F32-V96 HydrophobicContact CZ-CG1 3.87Å; F32-V96 HydrophobicContact CZ-CG2 4.16Å; F32-W98 HydrophobicContact CZ-CZ2 4.08Å; F32-P127 HydrophobicContact CE1-CG 3.87Å; F32-P127 HydrophobicContact CZ-CG 4.01Å |
| 33 | C | 94.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 119.4 | 174.2 | -171.6 | 0 | 0 | 0 | 0 | 109.4 | F44 T46 W370 | C33-F44 HydrophobicContact CB-CB 4.44Å; C33-F44 PolarHBondContact N-O 3.36Å; C33-F44 PolarHBondContact O-N 2.84Å; C33-T46 HydrophobicContact CB-CG2 3.95Å; C33-W370 HydrophobicContact CB-CE3 4.15Å; C33-W370 HydrophobicContact CB-CZ3 4.25Å |
| 34 | A | 95.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 134.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | L24 S25 A42 L43 L71 W73 I80 | L24-A34 CarbonylContact C-O 3.55Å; L24-A34 WeakPolarHBondContact CA-O 3.29Å; S25-A34 PolarHBondContact N-O 3.43Å; S25-A34 PolarHBondContact O-N 3.36Å; A34-A42 CarbonylContact C-O 3.56Å; A34-A42 WeakPolarHBondContact CA-O 3.43Å; A34-L43 HydrophobicContact CB-CD1 4.35Å; A34-L71 HydrophobicContact CB-CD1 3.82Å; A34-L71 WeakPolarHBondContact O-CD1 3.3Å; A34-W73 HydrophobicContact CB-CZ2 3.81Å; A34-I80 HydrophobicContact CB-CD1 3.82Å |
| 35 | I | 94.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 129.6 | -178.6 | -57 | -173.5 | 0 | 0 | 0 | 109.1 | V21 F23 L24 F37 A42 F44 W370 L377 | V21-I35 HydrophobicContact CG1-CG2 3.65Å; F23-I35 WeakPolarHBondContact O-CA 3.49Å; L24-I35 HydrophobicContact CB-CG1 4.29Å; I35-F37 HydrophobicContact CB-CE2 4.35Å; I35-F37 HydrophobicContact CB-CZ 4.29Å; I35-F37 HydrophobicContact CG2-CD1 4.41Å; I35-F37 HydrophobicContact CG2-CE1 3.81Å; I35-F37 HydrophobicContact CG2-CE2 3.94Å; I35-F37 HydrophobicContact CG2-CZ 3.55Å; I35-A42 PolarHBondContact N-O 2.62Å; I35-A42 PolarHBondContact O-N 2.98Å; I35-F44 HydrophobicContact CB-CD2 4.43Å; I35-F44 HydrophobicContact CB-CE2 4.35Å; I35-F44 HydrophobicContact CD1-CD2 3.66Å; I35-F44 HydrophobicContact CD1-CE2 3.75Å; I35-F44 HydrophobicContact CD1-CG 4.34Å; I35-F44 HydrophobicContact CD1-CZ 4.48Å; I35-F44 HydrophobicContact CG1-CD2 3.99Å; I35-F44 HydrophobicContact CG1-CE2 4.26Å; I35-W370 HydrophobicContact CD1-CZ3 4.46Å; I35-L377 HydrophobicContact CD1-CD1 3.87Å; I35-L377 HydrophobicContact CD1-CD2 3.51Å; I35-L377 HydrophobicContact CD1-CG 4.32Å |
| 36 | A | 93.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 128.8 | 176 | 0 | 0 | 0 | 0 | 0 | 110.6 | R22 F23 C68 L71 | R22-A36 HydrophobicContact CB-CB 4.38Å; R22-A36 PolarHBondContact N-O 3.44Å; F23-A36 HydrophobicContact CB-CB 4.16Å; F23-A36 PolarHBondContact O-N 3.1Å; A36-C68 HydrophobicContact CB-CB 3.92Å; A36-L71 HydrophobicContact CB-CD1 3.94Å; A36-L71 HydrophobicContact CB-CD2 4.29Å; A36-L71 HydrophobicContact CB-CG 4.08Å |
| 37 | F | 91 | Very high | 91.5 | Very high | 8 Ų | 8 | 27.1 Ų | 27.1 | 4% | 0.035 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 174 | 170.2 | -54.4 | -73.8 | 0 | 0 | 0 | 110 | L12 V19 T20 V21 I35 E39 S40 A42 | L12-F37 HydrophobicContact CD2-CE1 3.91Å; L12-F37 HydrophobicContact CD2-CZ 4.16Å; V19-F37 HydrophobicContact CG1-CB 4.31Å; V19-F37 HydrophobicContact CG1-CD1 3.25Å; V19-F37 HydrophobicContact CG1-CE1 3.65Å; V19-F37 HydrophobicContact CG1-CG 3.92Å; T20-F37 WeakPolarHBondContact O-CA 3.08Å; V21-F37 HydrophobicContact CB-CD1 4.35Å; V21-F37 HydrophobicContact CB-CE1 4.33Å; V21-F37 HydrophobicContact CG1-CD1 4.17Å; V21-F37 HydrophobicContact CG1-CE1 3.93Å; V21-F37 HydrophobicContact CG2-CD1 4.23Å; V21-F37 HydrophobicContact CG2-CE1 3.94Å; I35-F37 HydrophobicContact CB-CE2 4.35Å; I35-F37 HydrophobicContact CB-CZ 4.29Å; I35-F37 HydrophobicContact CG2-CD1 4.41Å; I35-F37 HydrophobicContact CG2-CE1 3.81Å; I35-F37 HydrophobicContact CG2-CE2 3.94Å; I35-F37 HydrophobicContact CG2-CZ 3.55Å; F37-E39 PolarHBondContact O-N 3.26Å; F37-S40 WeakPolarHBondContact CB-O 3.34Å; F37-S40 WeakPolarHBondContact CD2-OG 3.43Å; F37-S40 PolarHBondContact N-O 3.28Å; F37-A42 HydrophobicContact CD2-CB 4.41Å; F37-A42 HydrophobicContact CE2-CB 3.72Å |
| 38 | D | 87.6 | Confident | 90.9 | Very high | 45 Ų | 45 | 27 Ų | 27 | 24% | 0.241 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -58.8 | -44.3 | 178.2 | -76.5 | -14.5 | 0 | 0 | 0 | 113.2 | T20 R22 Y67 | T20-D38 WeakPolarHBondContact CB-OD2 3.42Å; T20-D38 PolarHBondContact O-N 2.99Å; T20-D38 PolarHBondContact OG1-OD2 2.87Å; R22-D38 IonicContact CZ-OD1 3.22Å; R22-D38 IonicContact NE-OD1 3.53Å; R22-D38 PolarHBondContact NE-OD1 3.35Å; R22-D38 IonicContact NH2-OD1 3.85Å; R22-D38 PolarHBondContact NH2-OD1 3.45Å; R22-D38 IonicContact NH2-OD2 3.64Å; R22-D38 PolarHBondContact NH2-OD2 3.29Å; D38-Y67 WeakPolarHBondContact O-CB 3.5Å |
| 39 | E | 87 | Confident | 90.7 | Very high | 76 Ų | 76 | 19.4 Ų | 19.4 | 36% | 0.355 | 10% | 0.095 | S | C | . | . | S | Bend | trans | -113.7 | 1.9 | -176.3 | -62.4 | -169 | 167 | 0 | 0 | 114 | F37 S57 | F37-E39 PolarHBondContact O-N 3.26Å; E39-S57 PolarHBondContact O-N 3.09Å |
| 40 | S | 90.2 | Very high | 90.6 | Very high | 12 Ų | 12 | 16.5 Ų | 16.5 | 8% | 0.084 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 158.6 | -177.5 | 80.9 | 0 | 0 | 0 | 0 | 115.1 | F37 N54 L55 | F37-S40 WeakPolarHBondContact CB-O 3.34Å; F37-S40 WeakPolarHBondContact CD2-OG 3.43Å; F37-S40 PolarHBondContact N-O 3.28Å; S40-N54 WeakPolarHBondContact CB-OD1 3.08Å; S40-N54 PolarHBondContact OG-OD1 3.13Å; S40-L55 VanDerWaalsContact CA-O 3.28Å; S40-L55 WeakPolarHBondContact CA-O 3.47Å; S40-L55 VanDerWaalsContact CB-O 3.31Å; S40-L55 WeakPolarHBondContact CB-O 3.38Å |
| 41 | V | 92.7 | Very high | 90.5 | Very high | 1 Ų | 1 | 15.9 Ų | 15.9 | 1% | 0.006 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 119.2 | 170.7 | -179.8 | 0 | 0 | 0 | 0 | 108.3 | L55 C68 F92 L131 | V41-L55 PolarHBondContact N-O 2.62Å; V41-L55 PolarHBondContact O-N 2.99Å; V41-C68 HydrophobicContact CG2-CB 4.43Å; V41-F92 HydrophobicContact CG2-CE2 4.13Å; V41-F92 HydrophobicContact CG2-CZ 4.08Å; V41-L131 HydrophobicContact CB-CD2 4.34Å; V41-L131 HydrophobicContact CG1-CD2 3.96Å |
| 42 | A | 92.9 | Very high | 90.7 | Very high | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.008 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 149.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112 | A34 I35 F37 F44 V53 N54 | A34-A42 CarbonylContact C-O 3.56Å; A34-A42 WeakPolarHBondContact CA-O 3.43Å; I35-A42 PolarHBondContact N-O 2.62Å; I35-A42 PolarHBondContact O-N 2.98Å; F37-A42 HydrophobicContact CD2-CB 4.41Å; F37-A42 HydrophobicContact CE2-CB 3.72Å; A42-F44 HydrophobicContact CB-CD2 4.17Å; A42-F44 HydrophobicContact CB-CE2 3.66Å; A42-V53 CarbonylContact C-O 3.5Å; A42-V53 VanDerWaalsContact CA-O 3.28Å; A42-V53 WeakPolarHBondContact CA-O 3.43Å; A42-N54 HydrophobicContact CB-CB 4.29Å |
| 43 | L | 94.4 | Very high | 90.6 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.005 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 119.8 | 173 | -173.4 | 67.2 | 0 | 0 | 0 | 109.1 | F32 A34 L52 V53 W73 I80 V94 A129 L131 | F32-L43 HydrophobicContact CB-CD1 3.96Å; A34-L43 HydrophobicContact CB-CD1 4.35Å; L43-L52 WeakPolarHBondContact O-CB 3.46Å; L43-L52 PolarHBondContact O-N 3.24Å; L43-V53 HydrophobicContact CB-CG1 3.74Å; L43-V53 HydrophobicContact CD2-CG1 4.39Å; L43-V53 PolarHBondContact N-O 3.23Å; L43-V53 PolarHBondContact O-N 2.99Å; L43-W73 HydrophobicContact CD1-CH2 3.56Å; L43-W73 HydrophobicContact CD1-CZ2 3.55Å; L43-I80 HydrophobicContact CD1-CD1 4.46Å; L43-V94 HydrophobicContact CD2-CG1 4.02Å; L43-A129 HydrophobicContact CD2-CB 3.86Å; L43-L131 HydrophobicContact CB-CD1 4.36Å; L43-L131 HydrophobicContact CD2-CD1 4.33Å |
| 44 | F | 93 | Very high | 90.5 | Very high | 7 Ų | 7 | 19.6 Ų | 19.6 | 3% | 0.031 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 147.8 | 176.7 | -72.8 | -104.5 | 0 | 0 | 0 | 110.8 | F32 C33 I35 A42 V50 C51 W370 | F32-F44 CarbonylContact C-O 3.54Å; F32-F44 VanDerWaalsContact CA-O 3.28Å; F32-F44 WeakPolarHBondContact CA-O 3.47Å; C33-F44 HydrophobicContact CB-CB 4.44Å; C33-F44 PolarHBondContact N-O 3.36Å; C33-F44 PolarHBondContact O-N 2.84Å; I35-F44 HydrophobicContact CB-CD2 4.43Å; I35-F44 HydrophobicContact CB-CE2 4.35Å; I35-F44 HydrophobicContact CD1-CD2 3.66Å; I35-F44 HydrophobicContact CD1-CE2 3.75Å; I35-F44 HydrophobicContact CD1-CG 4.34Å; I35-F44 HydrophobicContact CD1-CZ 4.48Å; I35-F44 HydrophobicContact CG1-CD2 3.99Å; I35-F44 HydrophobicContact CG1-CE2 4.26Å; A42-F44 HydrophobicContact CB-CD2 4.17Å; A42-F44 HydrophobicContact CB-CE2 3.66Å; F44-V50 CarbonylContact C-O 3.58Å; F44-V50 VanDerWaalsContact CA-O 3.25Å; F44-V50 WeakPolarHBondContact CA-O 3.48Å; F44-C51 HydrophobicContact CD1-CB 4Å; F44-C51 HydrophobicContact CE1-CB 3.64Å; F44-C51 HydrophobicContact CE2-CB 4.44Å; F44-C51 HydrophobicContact CZ-CB 3.88Å; F44-W370 HydrophobicContact CB-CH2 4.25Å; F44-W370 HydrophobicContact CB-CZ3 4.16Å; F44-W370 HydrophobicContact CG-CZ3 4.43Å |
| 45 | F | 91.3 | Very high | 90.3 | Very high | 10 Ų | 10 | 22.1 Ų | 22.1 | 4% | 0.044 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 138.7 | 159.8 | -162.1 | -127 | 0 | 0 | 0 | 108.9 | E31 F32 F47 P48 P49 V50 L52 W98 V126 | E31-F45 HydrophobicContact CB-CE2 4.4Å; E31-F45 WeakPolarHBondContact O-CD2 3.43Å; F32-F45 AromaticContact CD1-CD2 3.93Å; F32-F45 HydrophobicContact CD1-CD2 3.93Å; F32-F45 AromaticContact CE1-CD2 3.67Å; F32-F45 HydrophobicContact CE1-CD2 3.67Å; F32-F45 HydrophobicContact CE1-CE2 4.06Å; F32-F45 HydrophobicContact CZ-CE2 4.49Å; F45-F47 WeakPolarHBondContact CD1-O 3.4Å; F45-F47 WeakPolarHBondContact CE1-O 3.15Å; F45-P48 VanDerWaalsContact O-O 3.1Å; F45-P49 WeakPolarHBondContact O-CA 3.36Å; F45-V50 PolarHBondContact N-O 2.84Å; F45-V50 PolarHBondContact O-N 3.25Å; F45-L52 HydrophobicContact CB-CD1 4.15Å; F45-L52 HydrophobicContact CB-CD2 4.04Å; F45-L52 HydrophobicContact CB-CG 4.15Å; F45-W98 HydrophobicContact CE2-CH2 4.12Å; F45-W98 HydrophobicContact CZ-CH2 4.27Å; F45-V126 HydrophobicContact CB-CG1 4.49Å; F45-V126 HydrophobicContact CD1-CG1 4.29Å; F45-V126 HydrophobicContact CD1-CG2 3.98Å; F45-V126 HydrophobicContact CE1-CG2 4.1Å; F45-V126 HydrophobicContact CG-CG1 4.44Å |
| 46 | T | 89 | Confident | 90.1 | Very high | 3 Ų | 3 | 28.2 Ų | 28.2 | 2% | 0.018 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | -22.4 | -172.2 | 57.6 | 0 | 0 | 0 | 0 | 114.2 | R30 E31 C33 W370 | R30-T46 WeakPolarHBondContact O-CG2 3.36Å; R30-T46 PolarHBondContact O-OG1 3.5Å; E31-T46 WeakPolarHBondContact CA-OG1 3.47Å; E31-T46 PolarHBondContact O-N 3.45Å; E31-T46 PolarHBondContact O-OG1 3.35Å; C33-T46 HydrophobicContact CB-CG2 3.95Å; T46-W370 WeakPolarHBondContact O-CZ2 3.49Å |
| 47 | F | 82.4 | Confident | 89.8 | Confident | 9 Ų | 9 | 30 Ų | 30 | 4% | 0.039 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -158.9 | 111.4 | 173.7 | -162.3 | -91.3 | 0 | 0 | 0 | 113.3 | F45 H106 R124 H368 H404 W441 | F45-F47 WeakPolarHBondContact CD1-O 3.4Å; F45-F47 WeakPolarHBondContact CE1-O 3.15Å; F47-H106 AromaticContact CZ-CD2 3.83Å; F47-R124 PolarHBondContact O-NH1 3.18Å; F47-H368 AromaticContact CD2-CE1 3.58Å; F47-H368 AromaticContact CE2-CE1 3.72Å; F47-H368 AromaticContact CE2-NE2 3.98Å; F47-H404 AromaticContact CE2-CE1 3.87Å; F47-H404 AromaticContact CE2-NE2 3.8Å; F47-H404 AromaticContact CZ-CE1 3.6Å; F47-W441 HydrophobicContact CB-CH2 3.28Å; F47-W441 HydrophobicContact CB-CZ2 3.49Å; F47-W441 VanDerWaalsContact CB-CZ2 3.49Å; F47-W441 HydrophobicContact CB-CZ3 3.91Å; F47-W441 HydrophobicContact CD1-CD2 4.02Å; F47-W441 AromaticContact CD1-CE2 3.37Å; F47-W441 HydrophobicContact CD1-CE3 4.49Å; F47-W441 HydrophobicContact CD1-CH2 4.01Å; F47-W441 AromaticContact CD1-CZ2 3.39Å; F47-W441 HydrophobicContact CD1-CZ2 3.39Å; F47-W441 HydrophobicContact CD1-CZ3 4.5Å; F47-W441 AromaticContact CD1-NE1 3.61Å; F47-W441 HydrophobicContact CD2-CH2 4.32Å; F47-W441 AromaticContact CD2-CZ2 3.7Å; F47-W441 HydrophobicContact CD2-CZ2 3.7Å; F47-W441 HydrophobicContact CE1-CD2 4.44Å; F47-W441 AromaticContact CE1-CE2 3.67Å; F47-W441 AromaticContact CE1-CZ2 3.97Å; F47-W441 HydrophobicContact CE1-CZ2 3.97Å; F47-W441 AromaticContact CE1-NE1 3.36Å; F47-W441 HydrophobicContact CE2-CZ2 4.22Å; F47-W441 AromaticContact CG-CE2 3.77Å; F47-W441 AromaticContact CG-CH2 3.64Å; F47-W441 HydrophobicContact CG-CH2 3.64Å; F47-W441 AromaticContact CG-CZ2 3.23Å; F47-W441 HydrophobicContact CG-CZ2 3.23Å; F47-W441 HydrophobicContact CG-CZ3 4.43Å; F47-W441 HydrophobicContact CZ-CZ2 4.35Å; F47-W441 AromaticContact CZ-NE1 3.84Å |
| 48 | P | 83 | Confident | 89.7 | Confident | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.013 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -64.5 | 151 | -1.1 | 26.7 | -35.3 | 0 | 0 | 0 | 112.6 | F45 V50 V104 H106 V126 | F45-P48 VanDerWaalsContact O-O 3.1Å; P48-V50 HydrophobicContact CB-CG2 3.97Å; P48-V50 HydrophobicContact CG-CG2 3.83Å; P48-V50 PolarHBondContact O-N 3.12Å; P48-V104 HydrophobicContact CG-CB 4.3Å; P48-V104 HydrophobicContact CG-CG1 3.99Å; P48-H106 HydrophobicContact CB-CB 3.91Å; P48-H106 HydrophobicContact CG-CB 4.41Å; P48-V126 HydrophobicContact CG-CG2 4.11Å |
| 49 | P | 86.3 | Confident | 89.6 | Confident | 37 Ų | 37 | 36.5 Ų | 36.5 | 24% | 0.24 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 93.2 | 174.4 | 27.6 | -34.4 | 0 | 0 | 0 | 110.6 | L10 F45 W370 | L10-P49 HydrophobicContact CD1-CB 3.77Å; L10-P49 HydrophobicContact CD2-CB 3.71Å; L10-P49 HydrophobicContact CD2-CG 3.64Å; L10-P49 HydrophobicContact CG-CB 4.38Å; F45-P49 WeakPolarHBondContact O-CA 3.36Å; P49-W370 HydrophobicContact CB-CH2 3.72Å; P49-W370 HydrophobicContact CB-CZ2 3.76Å |
| 50 | V | 88.3 | Confident | 89.7 | Confident | 46 Ų | 46 | 36 Ų | 36 | 28% | 0.279 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 130.3 | -174.8 | 177.4 | 0 | 0 | 0 | 0 | 109.8 | F44 F45 P48 L52 V104 | F44-V50 CarbonylContact C-O 3.58Å; F44-V50 VanDerWaalsContact CA-O 3.25Å; F44-V50 WeakPolarHBondContact CA-O 3.48Å; F45-V50 PolarHBondContact N-O 2.84Å; F45-V50 PolarHBondContact O-N 3.25Å; P48-V50 HydrophobicContact CB-CG2 3.97Å; P48-V50 HydrophobicContact CG-CG2 3.83Å; P48-V50 PolarHBondContact O-N 3.12Å; V50-L52 PolarHBondContact O-N 3.02Å; V50-V104 HydrophobicContact CG2-CG1 4.37Å |
| 51 | C | 90.5 | Very high | 89.6 | Confident | 34 Ų | 34 | 38.4 Ų | 38.4 | 23% | 0.23 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 116.2 | 172.1 | -169.4 | 0 | 0 | 0 | 0 | 109.6 | T13 F44 | T13-C51 HydrophobicContact CG2-CB 4.09Å; T13-C51 PolarHBondContact OG1-SG 3.34Å; F44-C51 HydrophobicContact CD1-CB 4Å; F44-C51 HydrophobicContact CE1-CB 3.64Å; F44-C51 HydrophobicContact CE2-CB 4.44Å; F44-C51 HydrophobicContact CZ-CB 3.88Å |
| 52 | L | 92.1 | Very high | 89.4 | Confident | 34 Ų | 34 | 39.6 Ų | 39.6 | 18% | 0.178 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | -39.4 | -179.2 | -58.3 | -179.4 | 0 | 0 | 0 | 112 | F32 L43 F45 V50 V126 A129 | F32-L52 HydrophobicContact CD1-CD1 3.67Å; F32-L52 HydrophobicContact CE1-CD1 3.67Å; L43-L52 WeakPolarHBondContact O-CB 3.46Å; L43-L52 PolarHBondContact O-N 3.24Å; F45-L52 HydrophobicContact CB-CD1 4.15Å; F45-L52 HydrophobicContact CB-CD2 4.04Å; F45-L52 HydrophobicContact CB-CG 4.15Å; V50-L52 PolarHBondContact O-N 3.02Å; L52-V126 HydrophobicContact CD2-CG1 3.4Å; L52-A129 HydrophobicContact CB-CB 3.93Å; L52-A129 HydrophobicContact CD1-CB 4Å |
| 53 | V | 93.2 | Very high | 89.4 | Confident | 32 Ų | 32 | 46.3 Ų | 46.3 | 19% | 0.194 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 138.3 | 175.9 | 54.7 | 0 | 0 | 0 | 0 | 109 | A42 L43 A129 L131 | A42-V53 CarbonylContact C-O 3.5Å; A42-V53 VanDerWaalsContact CA-O 3.28Å; A42-V53 WeakPolarHBondContact CA-O 3.43Å; L43-V53 HydrophobicContact CB-CG1 3.74Å; L43-V53 HydrophobicContact CD2-CG1 4.39Å; L43-V53 PolarHBondContact N-O 3.23Å; L43-V53 PolarHBondContact O-N 2.99Å; V53-A129 HydrophobicContact CG1-CB 4.46Å; V53-L131 HydrophobicContact CG1-CB 4.29Å; V53-L131 HydrophobicContact CG1-CD1 4.37Å |
| 54 | N | 92.2 | Very high | 89.3 | Confident | 54 Ų | 54 | 52.1 Ų | 52.1 | 29% | 0.289 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 105.2 | 169.3 | -172.2 | 8.4 | 0 | 0 | 0 | 107.9 | T13 S40 A42 Q56 | T13-N54 PolarHBondContact O-ND2 3.41Å; S40-N54 WeakPolarHBondContact CB-OD1 3.08Å; S40-N54 PolarHBondContact OG-OD1 3.13Å; A42-N54 HydrophobicContact CB-CB 4.29Å; N54-Q56 PolarHBondContact O-N 2.95Å |
| 55 | L | 92 | Very high | 89.2 | Confident | 52 Ų | 52 | 52.1 Ų | 52.1 | 27% | 0.272 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 99.6 | 178.8 | -178.3 | 68.7 | 0 | 0 | 0 | 108.7 | S40 V41 F92 L131 | S40-L55 VanDerWaalsContact CA-O 3.28Å; S40-L55 WeakPolarHBondContact CA-O 3.47Å; S40-L55 VanDerWaalsContact CB-O 3.31Å; S40-L55 WeakPolarHBondContact CB-O 3.38Å; V41-L55 PolarHBondContact N-O 2.62Å; V41-L55 PolarHBondContact O-N 2.99Å; L55-F92 HydrophobicContact CD2-CD1 3.76Å; L55-F92 HydrophobicContact CD2-CE1 3.61Å; L55-L131 HydrophobicContact CB-CB 4.32Å; L55-L131 HydrophobicContact CB-CD2 4.24Å; L55-L131 HydrophobicContact CD2-CB 4.23Å; L55-L131 HydrophobicContact CD2-CD2 4.07Å |
| 56 | Q | 89.6 | Confident | 89.3 | Confident | 128 Ų | 128 | 51.9 Ų | 51.9 | 60% | 0.598 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 125 | 176.1 | -165 | 160.9 | 5.5 | 0 | 0 | 110.6 | N54 | N54-Q56 PolarHBondContact O-N 2.95Å |
| 57 | S | 87.3 | Confident | 89.4 | Confident | 37 Ų | 37 | 55.3 Ų | 55.3 | 26% | 0.259 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -75.7 | 149.1 | 176 | -66 | 0 | 0 | 0 | 0 | 110.1 | E39 | E39-S57 PolarHBondContact O-N 3.09Š|
| 58 | S | 87.9 | Confident | 89.9 | Confident | 54 Ų | 54 | 55.2 Ų | 55.2 | 38% | 0.378 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 149.4 | 171.8 | 85.8 | 0 | 0 | 0 | 0 | 110 | A60 D61 V62 | S58-A60 PolarHBondContact O-N 3.19Å; S58-D61 WeakPolarHBondContact CB-OD2 3.32Å; S58-D61 PolarHBondContact O-N 3.35Å; S58-D61 VanDerWaalsContact OG-CG 3.31Å; S58-D61 PolarHBondContact OG-N 3.09Å; S58-D61 PolarHBondContact OG-OD2 3.26Å; S58-V62 PolarHBondContact O-N 3.47Å |
| 59 | K | 86.3 | Confident | 90.3 | Very high | 137 Ų | 137 | 58 Ų | 58 | 60% | 0.596 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -58 | -35.6 | 176.3 | -68.7 | -169.5 | 173 | -173 | 0 | 112.2 | D61 V62 E63 | K59-D61 PolarHBondContact O-N 3.16Å; K59-V62 PolarHBondContact O-N 3.42Å; K59-E63 WeakPolarHBondContact O-CB 3.28Å; K59-E63 VanDerWaalsContact O-CG 3.3Å; K59-E63 WeakPolarHBondContact O-CG 3.24Å; K59-E63 PolarHBondContact O-N 2.83Å |
| 60 | A | 89.6 | Confident | 90.6 | Very high | 66 Ų | 66 | 59.9 Ų | 59.9 | 55% | 0.545 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.2 | -35.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S58 R64 | S58-A60 PolarHBondContact O-N 3.19Å; A60-R64 VanDerWaalsContact O-CB 3.31Å; A60-R64 WeakPolarHBondContact O-CB 3.44Å; A60-R64 PolarHBondContact O-N 3.48Å |
| 61 | D | 88.9 | Confident | 91 | Very high | 61 Ų | 61 | 57.9 Ų | 57.9 | 33% | 0.326 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -70 | -44.8 | 173.5 | -71.1 | -61.6 | 0 | 0 | 0 | 111.5 | S58 K59 E63 R64 T65 | S58-D61 WeakPolarHBondContact CB-OD2 3.32Å; S58-D61 PolarHBondContact O-N 3.35Å; S58-D61 VanDerWaalsContact OG-CG 3.31Å; S58-D61 PolarHBondContact OG-N 3.09Å; S58-D61 PolarHBondContact OG-OD2 3.26Å; K59-D61 PolarHBondContact O-N 3.16Å; D61-E63 VanDerWaalsContact C-N 3.3Å; D61-E63 PolarHBondContact O-N 3.43Å; D61-R64 CarbonylContact O-C 3.55Å; D61-R64 PolarHBondContact O-N 3.27Å; D61-R64 IonicContact OD1-NE 3.88Å; D61-R64 IonicContact OD1-NH2 3.09Å; D61-R64 PolarHBondContact OD1-NH2 2.95Å; D61-T65 PolarHBondContact O-N 2.78Å; D61-T65 PolarHBondContact O-OG1 2.99Å |
| 62 | V | 87.7 | Confident | 91.2 | Very high | 26 Ų | 26 | 57.4 Ų | 57.4 | 16% | 0.158 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.4 | -37.1 | 176 | -177.9 | 0 | 0 | 0 | 0 | 111.2 | S58 K59 R64 G66 | S58-V62 PolarHBondContact O-N 3.47Å; K59-V62 PolarHBondContact O-N 3.42Å; V62-R64 VanDerWaalsContact C-N 3.34Å; V62-G66 WeakPolarHBondContact O-CA 3.48Å; V62-G66 PolarHBondContact O-N 3.22Å |
| 63 | E | 91.9 | Very high | 91.4 | Very high | 143 Ų | 143 | 56.4 Ų | 56.4 | 67% | 0.668 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -66.1 | -34 | 171.9 | -78.2 | 174.6 | -166.7 | 0 | 0 | 112.6 | K59 D61 K86 | K59-E63 WeakPolarHBondContact O-CB 3.28Å; K59-E63 VanDerWaalsContact O-CG 3.3Å; K59-E63 WeakPolarHBondContact O-CG 3.24Å; K59-E63 PolarHBondContact O-N 2.83Å; D61-E63 VanDerWaalsContact C-N 3.3Å; D61-E63 PolarHBondContact O-N 3.43Å; E63-K86 PolarHBondContact O-NZ 3.11Å |
| 64 | R | 93.3 | Very high | 91.5 | Very high | 123 Ų | 123 | 55.8 Ų | 55.8 | 46% | 0.464 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -76.5 | -60.1 | 177.5 | -178.3 | 176.3 | 64.2 | 98.6 | -0.9 | 112.2 | A60 D61 V62 K86 | A60-R64 VanDerWaalsContact O-CB 3.31Å; A60-R64 WeakPolarHBondContact O-CB 3.44Å; A60-R64 PolarHBondContact O-N 3.48Å; D61-R64 CarbonylContact O-C 3.55Å; D61-R64 PolarHBondContact O-N 3.27Å; D61-R64 IonicContact OD1-NE 3.88Å; D61-R64 IonicContact OD1-NH2 3.09Å; D61-R64 PolarHBondContact OD1-NH2 2.95Å; V62-R64 VanDerWaalsContact C-N 3.34Å; R64-K86 WeakPolarHBondContact O-CD 3.36Å |
| 65 | T | 91.5 | Very high | 91.5 | Very high | 7 Ų | 7 | 54.8 Ų | 54.8 | 4% | 0.043 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -92.4 | -15.2 | -171.5 | 63.1 | 0 | 0 | 0 | 0 | 113.9 | D61 T84 K86 F88 L90 T136 | D61-T65 PolarHBondContact O-N 2.78Å; D61-T65 PolarHBondContact O-OG1 2.99Å; T65-T84 WeakPolarHBondContact O-CB 3.49Å; T65-T84 PolarHBondContact O-OG1 3.47Å; T65-K86 WeakPolarHBondContact O-CB 3.47Å; T65-F88 HydrophobicContact CG2-CB 4.36Å; T65-F88 HydrophobicContact CG2-CD1 4.1Å; T65-F88 HydrophobicContact CG2-CD2 4.14Å; T65-F88 HydrophobicContact CG2-CE1 4.46Å; T65-F88 HydrophobicContact CG2-CG 3.93Å; T65-L90 HydrophobicContact CG2-CD2 4.45Å; T65-T136 HydrophobicContact CG2-CG2 4.26Å |
| 66 | G | 92.1 | Very high | 91.6 | Very high | 5 Ų | 5 | 56.3 Ų | 56.3 | 5% | 0.052 | 28% | 0.283 | C | S | . | . | trans | 81.3 | 172.6 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | V62 C85 | V62-G66 WeakPolarHBondContact O-CA 3.48Å; V62-G66 PolarHBondContact O-N 3.22Å; G66-C85 VanDerWaalsContact CA-SG 3.54Å | ||
| 67 | Y | 91.3 | Very high | 91.9 | Very high | 74 Ų | 74 | 51.4 Ų | 51.4 | 29% | 0.29 | 26% | 0.263 | S | S | . | . | trans | -78.4 | 155.6 | 175.2 | 53.6 | -101.1 | 0 | 0 | 0 | 111.8 | D38 E69 T84 C85 | D38-Y67 WeakPolarHBondContact O-CB 3.5Å; Y67-E69 HydrophobicContact CD2-CG 4.02Å; Y67-E69 HydrophobicContact CE2-CG 3.79Å; Y67-T84 CarbonylContact O-C 3.54Å; Y67-T84 WeakPolarHBondContact O-CA 3.43Å; Y67-T84 WeakPolarHBondContact O-CB 3.41Å; Y67-C85 HydrophobicContact CD1-CB 4.43Å; Y67-C85 WeakPolarHBondContact CD1-SG 3.49Å; Y67-C85 HydrophobicContact CD2-CB 3.94Å; Y67-C85 HydrophobicContact CE1-CB 4.06Å; Y67-C85 WeakPolarHBondContact CE1-SG 3.31Å; Y67-C85 HydrophobicContact CE2-CB 3.52Å; Y67-C85 HydrophobicContact CG-CB 4.37Å; Y67-C85 VanDerWaalsContact CZ-SG 3.58Å; Y67-C85 PolarHBondContact N-SG 3.32Å; Y67-C85 PolarHBondContact O-N 3.03Å | ||
| 68 | C | 92.6 | Very high | 92.2 | Very high | 8 Ų | 8 | 51.2 Ų | 51.2 | 5% | 0.054 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 126 | 178.4 | -67.5 | 0 | 0 | 0 | 0 | 111.2 | R22 A36 V41 A82 S83 | R22-C68 WeakPolarHBondContact CB-O 3.08Å; A36-C68 HydrophobicContact CB-CB 3.92Å; V41-C68 HydrophobicContact CG2-CB 4.43Å; C68-A82 HydrophobicContact CB-CB 4.35Å; C68-S83 CarbonylContact C-O 3.53Å; C68-S83 WeakPolarHBondContact CA-O 3.33Å |
| 69 | E | 91.4 | Very high | 92.6 | Very high | 59 Ų | 59 | 50.1 Ų | 50.1 | 28% | 0.276 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | -31.9 | 179.9 | -68.1 | -157.5 | 151.8 | 0 | 0 | 113.8 | F23 Y67 S83 C85 | F23-E69 WeakPolarHBondContact CD2-O 3.49Å; Y67-E69 HydrophobicContact CD2-CG 4.02Å; Y67-E69 HydrophobicContact CE2-CG 3.79Å; E69-S83 PolarHBondContact N-O 2.88Å; E69-C85 HydrophobicContact CG-CB 3.93Å; E69-C85 WeakPolarHBondContact OE1-CB 3.35Å |
| 70 | R | 93.3 | Very high | 93.1 | Very high | 78 Ų | 78 | 43.6 Ų | 43.6 | 29% | 0.294 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 156.8 | -177.7 | -57.1 | -172.7 | -165.5 | 174 | 13.8 | 111.1 | F23 A82 S83 T144 F146 | F23-R70 HydrophobicContact CD2-CB 4.22Å; F23-R70 HydrophobicContact CD2-CG 4.05Å; F23-R70 HydrophobicContact CE1-CB 4.49Å; F23-R70 HydrophobicContact CE2-CB 4.15Å; F23-R70 HydrophobicContact CE2-CG 3.91Å; F23-R70 HydrophobicContact CG-CB 4.43Å; F23-R70 HydrophobicContact CZ-CB 4.28Å; F23-R70 HydrophobicContact CZ-CG 4.44Å; R70-A82 VanDerWaalsContact O-CA 3.29Å; R70-A82 WeakPolarHBondContact O-CA 3.23Å; R70-S83 PolarHBondContact O-N 3.46Å; R70-S83 VanDerWaalsContact O-N 3.16Å; R70-T144 PolarHBondContact NH1-O 3.17Å; R70-T144 PolarHBondContact NH2-O 3.4Å; R70-F146 HydrophobicContact CB-CE1 3.85Å; R70-F146 HydrophobicContact CB-CE2 4.27Å; R70-F146 HydrophobicContact CB-CZ 3.34Å; R70-F146 HydrophobicContact CG-CZ 4.47Å |
| 71 | L | 95.8 | Very high | 93.5 | Very high | 4 Ų | 4 | 40.5 Ų | 40.5 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 146.8 | -180 | -59 | 173.6 | 0 | 0 | 0 | 111.3 | F23 A34 A36 I80 L81 A82 | F23-L71 HydrophobicContact CD1-CB 3.99Å; F23-L71 HydrophobicContact CD1-CG 4.3Å; F23-L71 VanDerWaalsContact CD1-N 3.34Å; F23-L71 HydrophobicContact CE1-CB 4.45Å; A34-L71 HydrophobicContact CB-CD1 3.82Å; A34-L71 WeakPolarHBondContact O-CD1 3.3Å; A36-L71 HydrophobicContact CB-CD1 3.94Å; A36-L71 HydrophobicContact CB-CD2 4.29Å; A36-L71 HydrophobicContact CB-CG 4.08Å; L71-I80 HydrophobicContact CB-CG2 4.38Å; L71-I80 HydrophobicContact CD2-CG2 4.07Å; L71-L81 CarbonylContact C-O 3.54Å; L71-L81 WeakPolarHBondContact CA-O 3.26Å; L71-A82 HydrophobicContact CD2-CB 3.61Å |
| 72 | L | 95.7 | Very high | 93.8 | Very high | 24 Ų | 24 | 37.6 Ų | 37.6 | 13% | 0.126 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 133.4 | 173.1 | 177.6 | 68.9 | 0 | 0 | 0 | 110.3 | I80 L81 F146 T148 F153 W167 | L72-I80 CarbonylContact O-C 3.58Å; L72-I80 WeakPolarHBondContact O-CA 3.39Å; L72-L81 HydrophobicContact CB-CB 4.29Å; L72-L81 HydrophobicContact CD2-CD2 4.22Å; L72-L81 PolarHBondContact N-O 3.08Å; L72-L81 PolarHBondContact O-N 3.16Å; L72-F146 HydrophobicContact CB-CD2 3.79Å; L72-F146 HydrophobicContact CB-CE2 3.54Å; L72-F146 HydrophobicContact CB-CZ 4.29Å; L72-F146 HydrophobicContact CD2-CD2 3.89Å; L72-F146 HydrophobicContact CD2-CG 4.47Å; L72-F146 HydrophobicContact CG-CD2 4.29Å; L72-F146 HydrophobicContact CG-CE2 4.47Å; L72-T148 HydrophobicContact CD1-CG2 4.22Å; L72-F153 HydrophobicContact CD2-CB 4.2Å; L72-W167 HydrophobicContact CD2-CH2 4.5Å; L72-W167 HydrophobicContact CG-CH2 4.47Å |
| 73 | W | 96 | Very high | 94.2 | Very high | 13 Ų | 13 | 36.6 Ų | 36.6 | 5% | 0.049 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 143.1 | 175.6 | -77.3 | 93.5 | 0 | 0 | 0 | 112.6 | S25 C26 N27 F32 A34 L43 S77 I80 V94 | S25-W73 PolarHBondContact O-NE1 3.17Å; C26-W73 VanDerWaalsContact C-CD1 3.48Å; N27-W73 HydrophobicContact CB-CD2 3.73Å; N27-W73 HydrophobicContact CB-CE3 3.92Å; N27-W73 HydrophobicContact CB-CG 4.18Å; N27-W73 HydrophobicContact CB-CH2 4.18Å; N27-W73 HydrophobicContact CB-CZ2 4.03Å; N27-W73 HydrophobicContact CB-CZ3 4.14Å; F32-W73 HydrophobicContact CB-CH2 4.21Å; F32-W73 HydrophobicContact CB-CZ2 4.24Å; A34-W73 HydrophobicContact CB-CZ2 3.81Å; L43-W73 HydrophobicContact CD1-CH2 3.56Å; L43-W73 HydrophobicContact CD1-CZ2 3.55Å; W73-S77 WeakPolarHBondContact CZ3-O 3.47Å; W73-I80 HydrophobicContact CD2-CD1 4.47Å; W73-I80 HydrophobicContact CD2-CG1 3.73Å; W73-I80 HydrophobicContact CE3-CD1 4.36Å; W73-I80 HydrophobicContact CE3-CG1 3.58Å; W73-I80 HydrophobicContact CH2-CD1 3.66Å; W73-I80 HydrophobicContact CH2-CG1 3.82Å; W73-I80 HydrophobicContact CZ2-CD1 3.74Å; W73-I80 HydrophobicContact CZ2-CG1 3.93Å; W73-I80 HydrophobicContact CZ3-CD1 3.97Å; W73-I80 HydrophobicContact CZ3-CG1 3.63Å; W73-V94 HydrophobicContact CH2-CG2 4.3Å; W73-V94 HydrophobicContact CZ3-CG2 3.91Å |
| 74 | K | 95.8 | Very high | 94.3 | Very high | 19 Ų | 19 | 29.9 Ų | 29.9 | 8% | 0.083 | 14% | 0.143 | C | C | . | . | trans | -65.5 | 141.1 | 158.8 | -169.5 | 173.4 | -172.7 | -135.8 | 0 | 109 | D76 S77 F79 E151 W167 | K74-D76 VanDerWaalsContact CD-OD1 3.31Å; K74-D76 WeakPolarHBondContact CD-OD1 3.49Å; K74-D76 WeakPolarHBondContact CD-OD2 3.37Å; K74-D76 WeakPolarHBondContact CE-OD2 3.41Å; K74-D76 VanDerWaalsContact CG-OD1 3.3Å; K74-D76 WeakPolarHBondContact CG-OD1 3.3Å; K74-D76 IonicContact NZ-OD2 2.74Å; K74-D76 PolarHBondContact NZ-OD2 3.29Å; K74-D76 PolarHBondContact O-N 3.23Å; K74-S77 PolarHBondContact O-N 3.47Å; K74-F79 HydrophobicContact CB-CB 4.13Å; K74-F79 HydrophobicContact CD-CD2 4.28Å; K74-F79 PolarHBondContact N-O 3.21Å; K74-E151 WeakPolarHBondContact CE-OE2 3.27Å; K74-E151 IonicContact NZ-OE2 2.66Å; K74-E151 PolarHBondContact NZ-OE2 3.33Å; K74-W167 VanDerWaalsContact CA-CZ2 3.5Å; K74-W167 HydrophobicContact CB-CD2 3.87Å; K74-W167 HydrophobicContact CB-CE3 4.03Å; K74-W167 HydrophobicContact CB-CH2 3.91Å; K74-W167 HydrophobicContact CB-CZ2 3.74Å; K74-W167 HydrophobicContact CB-CZ3 4.04Å; K74-W167 HydrophobicContact CD-CB 4.07Å; K74-W167 HydrophobicContact CD-CD2 3.83Å; K74-W167 HydrophobicContact CD-CG 3.57Å; K74-W167 VanDerWaalsContact CE-CD1 3.43Å; K74-W167 HydrophobicContact CG-CD2 3.87Å; K74-W167 HydrophobicContact CG-CG 4.07Å; K74-W167 HydrophobicContact CG-CZ2 4.1Å | ||
| 75 | P | 92.2 | Very high | 94.2 | Very high | 33 Ų | 33 | 25.9 Ų | 25.9 | 21% | 0.214 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -14.9 | -175.1 | -25.8 | 36.1 | 0 | 0 | 0 | 115.8 | R28 T148 L149 | R28-P75 VanDerWaalsContact CD-O 3.26Å; R28-P75 WeakPolarHBondContact CD-O 3.1Å; P75-T148 WeakPolarHBondContact CD-OG1 3.33Å; P75-T148 HydrophobicContact CG-CG2 3.99Å; P75-L149 VanDerWaalsContact CG-O 3.26Å; P75-L149 WeakPolarHBondContact CG-O 3.19Å |
| 76 | D | 93.5 | Very high | 94.2 | Very high | 84 Ų | 84 | 30.6 Ų | 30.6 | 45% | 0.449 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 2 | 173.8 | 64.4 | 16.6 | 0 | 0 | 0 | 113.5 | K74 S78 | K74-D76 VanDerWaalsContact CD-OD1 3.31Å; K74-D76 WeakPolarHBondContact CD-OD1 3.49Å; K74-D76 WeakPolarHBondContact CD-OD2 3.37Å; K74-D76 WeakPolarHBondContact CE-OD2 3.41Å; K74-D76 VanDerWaalsContact CG-OD1 3.3Å; K74-D76 WeakPolarHBondContact CG-OD1 3.3Å; K74-D76 IonicContact NZ-OD2 2.74Å; K74-D76 PolarHBondContact NZ-OD2 3.29Å; K74-D76 PolarHBondContact O-N 3.23Å; D76-S78 VanDerWaalsContact CG-OG 3.23Å; D76-S78 PolarHBondContact O-N 3.05Å; D76-S78 VanDerWaalsContact OD1-CB 3.28Å; D76-S78 WeakPolarHBondContact OD1-CB 3.41Å; D76-S78 PolarHBondContact OD1-N 3.01Å; D76-S78 PolarHBondContact OD1-OG 2.75Å; D76-S78 PolarHBondContact OD2-OG 3.2Å |
| 77 | S | 95.1 | Very high | 94.2 | Very high | 25 Ų | 25 | 32 Ų | 32 | 18% | 0.175 | 16% | 0.16 | C | C | . | . | S | Bend | trans | 63.4 | 13.2 | -176.8 | -41.2 | 0 | 0 | 0 | 0 | 116.1 | N27 W73 K74 | N27-S77 PolarHBondContact ND2-OG 3.29Å; W73-S77 WeakPolarHBondContact CZ3-O 3.47Å; K74-S77 PolarHBondContact O-N 3.47Å |
| 78 | S | 95.1 | Very high | 94.3 | Very high | 33 Ų | 33 | 29.7 Ų | 29.7 | 23% | 0.231 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -84.4 | -17.2 | -178.1 | 67 | 0 | 0 | 0 | 0 | 114.7 | D76 V94 | D76-S78 VanDerWaalsContact CG-OG 3.23Å; D76-S78 PolarHBondContact O-N 3.05Å; D76-S78 VanDerWaalsContact OD1-CB 3.28Å; D76-S78 WeakPolarHBondContact OD1-CB 3.41Å; D76-S78 PolarHBondContact OD1-N 3.01Å; D76-S78 PolarHBondContact OD1-OG 2.75Å; D76-S78 PolarHBondContact OD2-OG 3.2Å; S78-V94 PolarHBondContact O-N 2.62Å |
| 79 | F | 96.5 | Very high | 94.4 | Very high | 31 Ų | 31 | 29.3 Ų | 29.3 | 14% | 0.136 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 151.8 | 177.1 | -72.9 | -93.6 | 0 | 0 | 0 | 112.2 | K74 F92 K93 A134 W167 | K74-F79 HydrophobicContact CB-CB 4.13Å; K74-F79 HydrophobicContact CD-CD2 4.28Å; K74-F79 PolarHBondContact N-O 3.21Å; F79-F92 CarbonylContact C-O 3.55Å; F79-F92 VanDerWaalsContact CA-O 3.26Å; F79-F92 WeakPolarHBondContact CA-O 3.38Å; F79-K93 HydrophobicContact CD1-CB 3.94Å; F79-K93 HydrophobicContact CD1-CG 4.28Å; F79-K93 HydrophobicContact CE1-CB 3.66Å; F79-K93 HydrophobicContact CE1-CD 4.01Å; F79-K93 HydrophobicContact CE1-CG 3.86Å; F79-K93 HydrophobicContact CE2-CD 4.43Å; F79-K93 HydrophobicContact CE2-CG 4.42Å; F79-K93 HydrophobicContact CZ-CB 4.26Å; F79-K93 HydrophobicContact CZ-CD 3.76Å; F79-K93 HydrophobicContact CZ-CG 3.95Å; F79-A134 HydrophobicContact CE1-CB 4.15Å; F79-W167 HydrophobicContact CB-CD2 4.46Å; F79-W167 HydrophobicContact CB-CE3 3.54Å; F79-W167 HydrophobicContact CB-CZ3 3.82Å; F79-W167 HydrophobicContact CG-CE3 4.24Å |
| 80 | I | 96.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 125.7 | 166.9 | -58.5 | 161 | 0 | 0 | 0 | 107.5 | A34 L43 L71 L72 W73 F92 V94 L131 | A34-I80 HydrophobicContact CB-CD1 3.82Å; L43-I80 HydrophobicContact CD1-CD1 4.46Å; L71-I80 HydrophobicContact CB-CG2 4.38Å; L71-I80 HydrophobicContact CD2-CG2 4.07Å; L72-I80 CarbonylContact O-C 3.58Å; L72-I80 WeakPolarHBondContact O-CA 3.39Å; W73-I80 HydrophobicContact CD2-CD1 4.47Å; W73-I80 HydrophobicContact CD2-CG1 3.73Å; W73-I80 HydrophobicContact CE3-CD1 4.36Å; W73-I80 HydrophobicContact CE3-CG1 3.58Å; W73-I80 HydrophobicContact CH2-CD1 3.66Å; W73-I80 HydrophobicContact CH2-CG1 3.82Å; W73-I80 HydrophobicContact CZ2-CD1 3.74Å; W73-I80 HydrophobicContact CZ2-CG1 3.93Å; W73-I80 HydrophobicContact CZ3-CD1 3.97Å; W73-I80 HydrophobicContact CZ3-CG1 3.63Å; I80-F92 HydrophobicContact CB-CB 4.43Å; I80-F92 PolarHBondContact N-O 2.94Å; I80-F92 PolarHBondContact O-N 3.43Å; I80-V94 HydrophobicContact CD1-CG2 3.68Å; I80-V94 HydrophobicContact CG1-CG2 3.78Å; I80-L131 HydrophobicContact CD1-CD1 4.11Å |
| 81 | L | 96.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 135.1 | 167.5 | -177.8 | 73.9 | 0 | 0 | 0 | 108.9 | L71 L72 L89 L91 F153 W167 | L71-L81 CarbonylContact C-O 3.54Å; L71-L81 WeakPolarHBondContact CA-O 3.26Å; L72-L81 HydrophobicContact CB-CB 4.29Å; L72-L81 HydrophobicContact CD2-CD2 4.22Å; L72-L81 PolarHBondContact N-O 3.08Å; L72-L81 PolarHBondContact O-N 3.16Å; L81-L89 HydrophobicContact CD1-CB 4.01Å; L81-L89 HydrophobicContact CD1-CD1 4.25Å; L81-L89 HydrophobicContact CD1-CD2 4.08Å; L81-L89 HydrophobicContact CD1-CG 4.36Å; L81-L89 HydrophobicContact CD2-CD2 4.29Å; L81-L89 HydrophobicContact CG-CD2 4.25Å; L81-L91 HydrophobicContact CD1-CD1 3.47Å; L81-L91 VanDerWaalsContact CD1-CD1 3.47Å; L81-L91 HydrophobicContact CD1-CG 3.75Å; L81-F153 HydrophobicContact CD1-CE1 4.47Å; L81-F153 HydrophobicContact CD1-CE2 3.92Å; L81-F153 HydrophobicContact CD1-CZ 3.83Å; L81-F153 HydrophobicContact CD2-CD2 3.45Å; L81-F153 VanDerWaalsContact CD2-CD2 3.45Å; L81-F153 HydrophobicContact CD2-CE2 3.5Å; L81-F153 HydrophobicContact CD2-CG 4.04Å; L81-F153 HydrophobicContact CD2-CZ 4.13Å; L81-F153 HydrophobicContact CG-CE2 4.37Å; L81-W167 HydrophobicContact CB-CH2 4.09Å; L81-W167 HydrophobicContact CB-CZ3 3.88Å |
| 82 | A | 95.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 136.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | C68 R70 L71 L89 L90 F92 | C68-A82 HydrophobicContact CB-CB 4.35Å; R70-A82 VanDerWaalsContact O-CA 3.29Å; R70-A82 WeakPolarHBondContact O-CA 3.23Å; L71-A82 HydrophobicContact CD2-CB 3.61Å; A82-L89 CarbonylContact O-C 3.57Å; A82-L89 WeakPolarHBondContact O-CA 3.48Å; A82-L90 HydrophobicContact CB-CB 4.39Å; A82-L90 PolarHBondContact N-O 2.76Å; A82-L90 PolarHBondContact O-N 2.93Å; A82-F92 HydrophobicContact CB-CD2 4.45Å; A82-F92 HydrophobicContact CB-CE2 3.88Å |
| 83 | S | 94.8 | Very high | 94.8 | Very high | 5 Ų | 5 | 25.9 Ų | 25.9 | 4% | 0.035 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 148.5 | 162.2 | 66.2 | 0 | 0 | 0 | 0 | 110.2 | C68 E69 R70 F146 | C68-S83 CarbonylContact C-O 3.53Å; C68-S83 WeakPolarHBondContact CA-O 3.33Å; E69-S83 PolarHBondContact N-O 2.88Å; R70-S83 PolarHBondContact O-N 3.46Å; R70-S83 VanDerWaalsContact O-N 3.16Å; S83-F146 WeakPolarHBondContact OG-CE1 3.43Å |
| 84 | T | 94.3 | Very high | 94.8 | Very high | 2 Ų | 2 | 25.8 Ų | 25.8 | 1% | 0.012 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 164.1 | 179.6 | 61.3 | 0 | 0 | 0 | 0 | 112.2 | T65 Y67 K86 D87 F88 L90 | T65-T84 WeakPolarHBondContact O-CB 3.49Å; T65-T84 PolarHBondContact O-OG1 3.47Å; Y67-T84 CarbonylContact O-C 3.54Å; Y67-T84 WeakPolarHBondContact O-CA 3.43Å; Y67-T84 WeakPolarHBondContact O-CB 3.41Å; T84-K86 PolarHBondContact O-N 3Å; T84-D87 PolarHBondContact O-N 3.5Å; T84-F88 HydrophobicContact CG2-CB 4.34Å; T84-F88 PolarHBondContact N-O 3.4Å; T84-F88 WeakPolarHBondContact OG1-CA 2.97Å; T84-F88 WeakPolarHBondContact OG1-CB 3.35Å; T84-F88 PolarHBondContact OG1-N 3.42Å; T84-F88 PolarHBondContact OG1-O 3.45Å; T84-L90 HydrophobicContact CG2-CD1 3.76Å; T84-L90 HydrophobicContact CG2-CG 3.98Å |
| 85 | C | 91.6 | Very high | 94.9 | Very high | 39 Ų | 39 | 28.7 Ų | 28.7 | 26% | 0.264 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -4.1 | 176.8 | 66.9 | 0 | 0 | 0 | 0 | 114.9 | G66 Y67 E69 | G66-C85 VanDerWaalsContact CA-SG 3.54Å; Y67-C85 HydrophobicContact CD1-CB 4.43Å; Y67-C85 WeakPolarHBondContact CD1-SG 3.49Å; Y67-C85 HydrophobicContact CD2-CB 3.94Å; Y67-C85 HydrophobicContact CE1-CB 4.06Å; Y67-C85 WeakPolarHBondContact CE1-SG 3.31Å; Y67-C85 HydrophobicContact CE2-CB 3.52Å; Y67-C85 HydrophobicContact CG-CB 4.37Å; Y67-C85 VanDerWaalsContact CZ-SG 3.58Å; Y67-C85 PolarHBondContact N-SG 3.32Å; Y67-C85 PolarHBondContact O-N 3.03Å; E69-C85 HydrophobicContact CG-CB 3.93Å; E69-C85 WeakPolarHBondContact OE1-CB 3.35Å |
| 86 | K | 92.1 | Very high | 94.9 | Very high | 106 Ų | 106 | 29.6 Ų | 29.6 | 46% | 0.461 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115 | 28.6 | 169.2 | -56.5 | -174.9 | 172.7 | -168.6 | 0 | 112 | E63 R64 T65 T84 F88 | E63-K86 PolarHBondContact O-NZ 3.11Å; R64-K86 WeakPolarHBondContact O-CD 3.36Å; T65-K86 WeakPolarHBondContact O-CB 3.47Å; T84-K86 PolarHBondContact O-N 3Å; K86-F88 HydrophobicContact CB-CD2 4.18Å; K86-F88 HydrophobicContact CB-CE2 4.33Å; K86-F88 VanDerWaalsContact O-CD2 3.23Å; K86-F88 WeakPolarHBondContact O-CD2 3.42Å; K86-F88 PolarHBondContact O-N 2.98Å |
| 87 | D | 91.5 | Very high | 94.9 | Very high | 36 Ų | 36 | 29 Ų | 29 | 19% | 0.193 | 15% | 0.149 | C | C | . | . | S | Bend | trans | 64.5 | 13.9 | 169.2 | -52.5 | -48.1 | 0 | 0 | 0 | 116 | T84 L139 R142 I143 | T84-D87 PolarHBondContact O-N 3.5Å; D87-L139 WeakPolarHBondContact CB-O 3.46Å; D87-L139 WeakPolarHBondContact O-CB 3.26Å; D87-L139 PolarHBondContact O-N 3.26Å; D87-R142 VanDerWaalsContact OD1-CA 3.31Å; D87-R142 WeakPolarHBondContact OD1-CA 3.48Å; D87-R142 WeakPolarHBondContact OD1-CG 3.47Å; D87-I143 WeakPolarHBondContact O-CD1 3.34Å; D87-I143 PolarHBondContact OD1-N 3.28Å |
| 88 | F | 94.2 | Very high | 94.6 | Very high | 25 Ų | 25 | 33 Ų | 33 | 11% | 0.11 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 144.9 | 164.2 | -66.3 | -96.7 | 0 | 0 | 0 | 111.5 | T65 T84 K86 T136 I137 D138 | T65-F88 HydrophobicContact CG2-CB 4.36Å; T65-F88 HydrophobicContact CG2-CD1 4.1Å; T65-F88 HydrophobicContact CG2-CD2 4.14Å; T65-F88 HydrophobicContact CG2-CE1 4.46Å; T65-F88 HydrophobicContact CG2-CG 3.93Å; T84-F88 HydrophobicContact CG2-CB 4.34Å; T84-F88 PolarHBondContact N-O 3.4Å; T84-F88 WeakPolarHBondContact OG1-CA 2.97Å; T84-F88 WeakPolarHBondContact OG1-CB 3.35Å; T84-F88 PolarHBondContact OG1-N 3.42Å; T84-F88 PolarHBondContact OG1-O 3.45Å; K86-F88 HydrophobicContact CB-CD2 4.18Å; K86-F88 HydrophobicContact CB-CE2 4.33Å; K86-F88 VanDerWaalsContact O-CD2 3.23Å; K86-F88 WeakPolarHBondContact O-CD2 3.42Å; K86-F88 PolarHBondContact O-N 2.98Å; F88-T136 HydrophobicContact CD1-CG2 3.71Å; F88-T136 HydrophobicContact CE1-CG2 4.43Å; F88-T136 HydrophobicContact CG-CG2 4.49Å; F88-I137 CarbonylContact C-O 3.55Å; F88-I137 VanDerWaalsContact CA-O 3.26Å; F88-I137 WeakPolarHBondContact CA-O 3.38Å; F88-D138 HydrophobicContact CD1-CB 3.94Å; F88-D138 HydrophobicContact CE1-CB 3.57Å; F88-D138 HydrophobicContact CZ-CB 4.28Å; F88-D138 WeakPolarHBondContact CZ-OD2 3.26Å |
| 89 | L | 94.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 137.5 | 159.1 | -63.1 | 174.4 | 0 | 0 | 0 | 110.7 | L81 A82 T136 I137 L139 I143 F153 V155 | L81-L89 HydrophobicContact CD1-CB 4.01Å; L81-L89 HydrophobicContact CD1-CD1 4.25Å; L81-L89 HydrophobicContact CD1-CD2 4.08Å; L81-L89 HydrophobicContact CD1-CG 4.36Å; L81-L89 HydrophobicContact CD2-CD2 4.29Å; L81-L89 HydrophobicContact CG-CD2 4.25Å; A82-L89 CarbonylContact O-C 3.57Å; A82-L89 WeakPolarHBondContact O-CA 3.48Å; L89-T136 WeakPolarHBondContact O-CA 3.48Å; L89-I137 HydrophobicContact CB-CB 4.21Å; L89-I137 HydrophobicContact CD1-CD1 4.32Å; L89-I137 PolarHBondContact N-O 2.94Å; L89-I137 PolarHBondContact O-N 3.39Å; L89-L139 HydrophobicContact CD1-CD1 3.5Å; L89-L139 VanDerWaalsContact CD1-CD1 3.5Å; L89-L139 HydrophobicContact CD1-CG 4.45Å; L89-L139 HydrophobicContact CD2-CD1 4.5Å; L89-L139 HydrophobicContact CG-CD1 3.69Å; L89-I143 HydrophobicContact CD2-CD1 3.7Å; L89-I143 HydrophobicContact CG-CD1 4.13Å; L89-F153 HydrophobicContact CD1-CE2 3.97Å; L89-F153 HydrophobicContact CD1-CZ 4.47Å; L89-V155 HydrophobicContact CD1-CG2 4.07Å |
| 90 | L | 95.1 | Very high | 93.9 | Very high | 7 Ų | 7 | 39.3 Ų | 39.3 | 4% | 0.037 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 117.8 | 173.5 | -56.2 | 178.1 | 0 | 0 | 0 | 108.7 | T65 A82 T84 F92 L133 T136 | T65-L90 HydrophobicContact CG2-CD2 4.45Å; A82-L90 HydrophobicContact CB-CB 4.39Å; A82-L90 PolarHBondContact N-O 2.76Å; A82-L90 PolarHBondContact O-N 2.93Å; T84-L90 HydrophobicContact CG2-CD1 3.76Å; T84-L90 HydrophobicContact CG2-CG 3.98Å; L90-F92 HydrophobicContact CB-CD2 4.39Å; L90-F92 HydrophobicContact CB-CE2 3.64Å; L90-F92 HydrophobicContact CB-CZ 3.87Å; L90-F92 HydrophobicContact CD1-CE2 4.33Å; L90-F92 HydrophobicContact CD1-CZ 3.96Å; L90-L133 HydrophobicContact CB-CD1 3.84Å; L90-L133 HydrophobicContact CD2-CD1 4.12Å; L90-L133 HydrophobicContact CG-CD1 4.49Å; L90-T136 HydrophobicContact CD2-CG2 3.74Å; L90-T136 WeakPolarHBondContact CD2-OG1 3.47Å |
| 91 | L | 96 | Very high | 93.3 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 112.9 | 172.8 | -78.5 | 82.6 | 0 | 0 | 0 | 109.4 | L81 A134 S135 I137 F153 W167 | L81-L91 HydrophobicContact CD1-CD1 3.47Å; L81-L91 VanDerWaalsContact CD1-CD1 3.47Å; L81-L91 HydrophobicContact CD1-CG 3.75Å; L91-A134 WeakPolarHBondContact O-CB 3.27Å; L91-A134 PolarHBondContact O-N 3.32Å; L91-S135 PolarHBondContact N-O 2.91Å; L91-S135 PolarHBondContact O-N 2.95Å; L91-I137 HydrophobicContact CD1-CD1 3.88Å; L91-I137 HydrophobicContact CD1-CG1 4.44Å; L91-F153 HydrophobicContact CD1-CZ 4.33Å; L91-F153 HydrophobicContact CD2-CE1 4.19Å; L91-W167 HydrophobicContact CD2-CE3 4.27Å; L91-W167 VanDerWaalsContact CD2-O 3.28Å; L91-W167 WeakPolarHBondContact CD2-O 3.38Å |
| 92 | F | 96.2 | Very high | 92.8 | Very high | 3 Ų | 3 | 45.7 Ų | 45.7 | 1% | 0.013 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 123.4 | 173.2 | -58.8 | -82.3 | 0 | 0 | 0 | 110.1 | V41 L55 F79 I80 A82 L90 L131 V132 L133 | V41-F92 HydrophobicContact CG2-CE2 4.13Å; V41-F92 HydrophobicContact CG2-CZ 4.08Å; L55-F92 HydrophobicContact CD2-CD1 3.76Å; L55-F92 HydrophobicContact CD2-CE1 3.61Å; F79-F92 CarbonylContact C-O 3.55Å; F79-F92 VanDerWaalsContact CA-O 3.26Å; F79-F92 WeakPolarHBondContact CA-O 3.38Å; I80-F92 HydrophobicContact CB-CB 4.43Å; I80-F92 PolarHBondContact N-O 2.94Å; I80-F92 PolarHBondContact O-N 3.43Å; A82-F92 HydrophobicContact CB-CD2 4.45Å; A82-F92 HydrophobicContact CB-CE2 3.88Å; L90-F92 HydrophobicContact CB-CD2 4.39Å; L90-F92 HydrophobicContact CB-CE2 3.64Å; L90-F92 HydrophobicContact CB-CZ 3.87Å; L90-F92 HydrophobicContact CD1-CE2 4.33Å; L90-F92 HydrophobicContact CD1-CZ 3.96Å; F92-L131 HydrophobicContact CB-CD2 3.93Å; F92-L131 HydrophobicContact CB-CG 4.07Å; F92-L131 HydrophobicContact CD1-CD2 3.88Å; F92-L131 HydrophobicContact CG-CD2 3.91Å; F92-V132 CarbonylContact C-O 3.59Å; F92-V132 VanDerWaalsContact CA-O 3.31Å; F92-V132 WeakPolarHBondContact CA-O 3.33Å; F92-L133 HydrophobicContact CD1-CB 4.1Å; F92-L133 HydrophobicContact CD1-CD1 4.08Å; F92-L133 HydrophobicContact CE1-CB 4.06Å; F92-L133 HydrophobicContact CE1-CD1 3.83Å; F92-L133 HydrophobicContact CE1-CG 4.47Å; F92-L133 HydrophobicContact CZ-CD1 4.2Å |
| 93 | K | 96.9 | Very high | 92.1 | Very high | 82 Ų | 82 | 51 Ų | 51 | 36% | 0.357 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 131.1 | 170 | -169 | 165.2 | -177.7 | 166.6 | 0 | 110 | F79 F95 V132 A134 | F79-K93 HydrophobicContact CD1-CB 3.94Å; F79-K93 HydrophobicContact CD1-CG 4.28Å; F79-K93 HydrophobicContact CE1-CB 3.66Å; F79-K93 HydrophobicContact CE1-CD 4.01Å; F79-K93 HydrophobicContact CE1-CG 3.86Å; F79-K93 HydrophobicContact CE2-CD 4.43Å; F79-K93 HydrophobicContact CE2-CG 4.42Å; F79-K93 HydrophobicContact CZ-CB 4.26Å; F79-K93 HydrophobicContact CZ-CD 3.76Å; F79-K93 HydrophobicContact CZ-CG 3.95Å; K93-F95 HydrophobicContact CB-CE2 4.05Å; K93-F95 HydrophobicContact CD-CE1 4.42Å; K93-F95 HydrophobicContact CD-CE2 3.92Å; K93-F95 HydrophobicContact CD-CZ 3.63Å; K93-F95 HydrophobicContact CG-CD2 4.35Å; K93-F95 HydrophobicContact CG-CE2 3.69Å; K93-F95 HydrophobicContact CG-CZ 3.89Å; K93-V132 PolarHBondContact N-O 3.15Å; K93-V132 PolarHBondContact O-N 3.49Å; K93-A134 HydrophobicContact CB-CB 4.2Å |
| 94 | V | 96.7 | Very high | 91.4 | Very high | 12 Ų | 12 | 53 Ų | 53 | 7% | 0.073 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 128.2 | -178.9 | -172.5 | 0 | 0 | 0 | 0 | 109 | L43 W73 S78 I80 V96 L131 | L43-V94 HydrophobicContact CD2-CG1 4.02Å; W73-V94 HydrophobicContact CH2-CG2 4.3Å; W73-V94 HydrophobicContact CZ3-CG2 3.91Å; S78-V94 PolarHBondContact O-N 2.62Å; I80-V94 HydrophobicContact CD1-CG2 3.68Å; I80-V94 HydrophobicContact CG1-CG2 3.78Å; V94-V96 HydrophobicContact CG1-CG2 4.04Å; V94-L131 HydrophobicContact CG2-CD1 4.05Å |
| 95 | F | 96.5 | Very high | 90.4 | Very high | 79 Ų | 79 | 58.2 Ų | 58.2 | 35% | 0.346 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 122.8 | 171.9 | -61.5 | -95.8 | 0 | 0 | 0 | 108.3 | K93 A129 R130 V132 | K93-F95 HydrophobicContact CB-CE2 4.05Å; K93-F95 HydrophobicContact CD-CE1 4.42Å; K93-F95 HydrophobicContact CD-CE2 3.92Å; K93-F95 HydrophobicContact CD-CZ 3.63Å; K93-F95 HydrophobicContact CG-CD2 4.35Å; K93-F95 HydrophobicContact CG-CE2 3.69Å; K93-F95 HydrophobicContact CG-CZ 3.89Å; F95-A129 CarbonylContact O-C 3.52Å; F95-A129 VanDerWaalsContact O-CA 3.25Å; F95-A129 WeakPolarHBondContact O-CA 2.97Å; F95-R130 HydrophobicContact CB-CB 4.39Å; F95-R130 VanDerWaalsContact CD2-NH2 3.29Å; F95-R130 PolarHBondContact N-O 3Å; F95-R130 PolarHBondContact O-N 2.95Å; F95-V132 HydrophobicContact CD2-CG2 4.06Å; F95-V132 HydrophobicContact CE2-CB 4.29Å; F95-V132 HydrophobicContact CE2-CG2 3.77Å |
| 96 | V | 93.7 | Very high | 89.5 | Confident | 52 Ų | 52 | 57.5 Ų | 57.5 | 32% | 0.315 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 129.6 | 175.6 | -176.3 | 0 | 0 | 0 | 0 | 108.1 | F32 V94 P127 A129 | F32-V96 HydrophobicContact CE1-CG1 4.49Å; F32-V96 HydrophobicContact CE2-CG2 4.31Å; F32-V96 HydrophobicContact CZ-CG1 3.87Å; F32-V96 HydrophobicContact CZ-CG2 4.16Å; V94-V96 HydrophobicContact CG1-CG2 4.04Å; V96-P127 HydrophobicContact CG1-CB 3.64Å; V96-P127 HydrophobicContact CG1-CG 3.78Å; V96-A129 HydrophobicContact CG2-CB 4.5Å |
| 97 | N | 92.8 | Very high | 88.5 | Confident | 71 Ų | 71 | 57.2 Ų | 57.2 | 38% | 0.38 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 110.9 | 176.8 | -176.2 | -7.6 | 0 | 0 | 0 | 109.6 | D99 A100 P127 K128 | N97-D99 WeakPolarHBondContact OD1-CB 3.44Å; N97-D99 PolarHBondContact OD1-N 3.48Å; N97-A100 PolarHBondContact OD1-N 3.49Å; N97-P127 WeakPolarHBondContact O-CB 3.37Å; N97-K128 PolarHBondContact N-O 3.16Å; N97-K128 PolarHBondContact O-N 2.91Å; N97-K128 VanDerWaalsContact O-N 3.12Å |
| 98 | W | 89.4 | Confident | 87.2 | Confident | 109 Ų | 109 | 56.6 Ų | 56.6 | 41% | 0.413 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | -24.5 | 176.6 | -71.2 | 101 | 0 | 0 | 0 | 113.2 | F32 F45 A100 A101 P127 | F32-W98 HydrophobicContact CZ-CZ2 4.08Å; F45-W98 HydrophobicContact CE2-CH2 4.12Å; F45-W98 HydrophobicContact CZ-CH2 4.27Å; W98-A100 PolarHBondContact O-N 2.97Å; W98-A101 HydrophobicContact CE3-CB 4.45Å; W98-A101 WeakPolarHBondContact O-CB 3.27Å; W98-A101 PolarHBondContact O-N 3.46Å; W98-A101 VanDerWaalsContact O-N 3.15Å; W98-P127 HydrophobicContact CD2-CB 3.76Å; W98-P127 HydrophobicContact CD2-CG 4.15Å; W98-P127 HydrophobicContact CE3-CB 3.76Å; W98-P127 HydrophobicContact CE3-CG 4.05Å; W98-P127 HydrophobicContact CG-CB 4.25Å; W98-P127 HydrophobicContact CH2-CB 4.45Å; W98-P127 HydrophobicContact CH2-CG 3.83Å; W98-P127 HydrophobicContact CZ2-CB 4.45Å; W98-P127 HydrophobicContact CZ2-CG 3.93Å; W98-P127 HydrophobicContact CZ3-CB 4.12Å; W98-P127 HydrophobicContact CZ3-CG 3.89Å |
| 99 | D | 88.5 | Confident | 85.6 | Confident | 163 Ų | 163 | 58.4 Ų | 58.4 | 87% | 0.872 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.7 | -26.8 | 177.1 | -53.8 | -33.9 | 0 | 0 | 0 | 111.9 | N97 | N97-D99 WeakPolarHBondContact OD1-CB 3.44Å; N97-D99 PolarHBondContact OD1-N 3.48Å |
| 100 | A | 87 | Confident | 84.1 | Confident | 35 Ų | 35 | 61.3 Ų | 61.3 | 29% | 0.289 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 17.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | N97 W98 K128 | N97-A100 PolarHBondContact OD1-N 3.49Å; W98-A100 PolarHBondContact O-N 2.97Å; A100-K128 HydrophobicContact CB-CD 4.07Å; A100-K128 WeakPolarHBondContact O-CD 3.46Å; A100-K128 VanDerWaalsContact O-CE 3.23Å; A100-K128 WeakPolarHBondContact O-CE 3.21Å; A100-K128 WeakPolarHBondContact O-CG 3.35Å |
| 101 | A | 86 | Confident | 82.6 | Confident | 21 Ų | 21 | 62.8 Ų | 62.8 | 17% | 0.174 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 146.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | W98 L125 V126 P127 | W98-A101 HydrophobicContact CE3-CB 4.45Å; W98-A101 WeakPolarHBondContact O-CB 3.27Å; W98-A101 PolarHBondContact O-N 3.46Å; W98-A101 VanDerWaalsContact O-N 3.15Å; A101-L125 HydrophobicContact CB-CD2 3.71Å; A101-L125 HydrophobicContact CB-CG 3.63Å; A101-V126 CarbonylContact C-O 3.5Å; A101-V126 VanDerWaalsContact CA-O 3.23Å; A101-V126 WeakPolarHBondContact CA-O 3.42Å; A101-V126 WeakPolarHBondContact CB-O 3.4Å; A101-P127 HydrophobicContact CB-CB 4.42Å |
| 102 | E | 84.6 | Confident | 80.9 | Confident | 112 Ų | 112 | 65.5 Ų | 65.5 | 52% | 0.523 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 147.5 | -177.3 | -68.3 | 179.9 | -173.2 | 0 | 0 | 111 | V104 V126 K128 | E102-V104 PolarHBondContact O-N 2.94Å; E102-V126 PolarHBondContact N-O 3.48Å; E102-V126 PolarHBondContact O-N 3.47Å; E102-K128 WeakPolarHBondContact OE1-CE 3.19Å; E102-K128 IonicContact OE1-NZ 3.49Å; E102-K128 PolarHBondContact OE1-NZ 3.48Å |
| 103 | H | 81.7 | Confident | 78.8 | Confident | 112 Ų | 112 | 67.9 Ų | 67.9 | 52% | 0.519 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 105.4 | 175.5 | -78.4 | -77.7 | 0 | 0 | 0 | 110.7 | R124 L125 | H103-R124 CarbonylContact C-O 3.57Å; H103-R124 WeakPolarHBondContact CA-O 3.34Å; H103-L125 VanDerWaalsContact CE1-CD1 3.45Å; H103-L125 WeakPolarHBondContact CE1-CD1 3.46Å; H103-L125 WeakPolarHBondContact NE2-CD1 3.48Å |
| 104 | V | 80.5 | Confident | 76.4 | Confident | 46 Ų | 46 | 67.2 Ų | 67.2 | 28% | 0.279 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 126.2 | 172.2 | 179.7 | 0 | 0 | 0 | 0 | 109.3 | P48 V50 E102 H106 R124 V126 | P48-V104 HydrophobicContact CG-CB 4.3Å; P48-V104 HydrophobicContact CG-CG1 3.99Å; V50-V104 HydrophobicContact CG2-CG1 4.37Å; E102-V104 PolarHBondContact O-N 2.94Å; V104-H106 PolarHBondContact O-N 3.28Å; V104-R124 PolarHBondContact N-O 2.83Å; V104-R124 PolarHBondContact O-N 3.18Å; V104-V126 HydrophobicContact CB-CG2 3.72Å; V104-V126 HydrophobicContact CG2-CB 3.81Å; V104-V126 HydrophobicContact CG2-CG1 4.49Å; V104-V126 HydrophobicContact CG2-CG2 3.54Å |
| 105 | M | 72.8 | Confident | 73.8 | Confident | 113 Ų | 113 | 73.2 Ų | 73.2 | 56% | 0.557 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 107.3 | 174.7 | -69.8 | -67.9 | -94.3 | 0 | 0 | 109.9 | K121 A123 | M105-K121 HydrophobicContact CE-CB 3.53Å; M105-K121 HydrophobicContact CE-CD 4.13Å; M105-K121 HydrophobicContact CE-CG 4.47Å; M105-K121 HydrophobicContact SD-CB 4.31Å; M105-A123 HydrophobicContact SD-CB 3.6Å |
| 106 | H | 73.2 | Confident | 71.1 | Confident | 24 Ų | 24 | 74.7 Ų | 74.7 | 11% | 0.111 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 134.1 | 172 | -168.2 | 55.2 | 0 | 0 | 0 | 110.7 | F47 P48 V104 K121 I122 | F47-H106 AromaticContact CZ-CD2 3.83Å; P48-H106 HydrophobicContact CB-CB 3.91Å; P48-H106 HydrophobicContact CG-CB 4.41Å; V104-H106 PolarHBondContact O-N 3.28Å; H106-K121 CarbonylContact O-C 3.58Å; H106-K121 VanDerWaalsContact O-CA 3.27Å; H106-K121 WeakPolarHBondContact O-CA 3.45Å; H106-I122 PolarHBondContact N-O 2.97Å; H106-I122 PolarHBondContact O-N 2.88Å |
| 107 | Q | 70.1 | Confident | 68.7 | Low | 100 Ų | 100 | 82.7 Ų | 82.7 | 47% | 0.467 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 115.7 | 167.2 | 179.4 | 170.2 | -16.8 | 0 | 0 | 107.7 | N119 K121 | Q107-N119 HydrophobicContact CG-CB 3.78Å; Q107-N119 PolarHBondContact NE2-ND2 3.48Å; Q107-K121 HydrophobicContact CB-CG 4.42Å |
| 108 | E | 64.9 | Low | 66.5 | Low | 22 Ų | 22 | 91.1 Ų | 91.1 | 10% | 0.103 | 47% | 0.466 | C | S | . | . | trans | -67.6 | 145 | 178.8 | -69.2 | 178.8 | 168 | 0 | 0 | 111.7 | N119 H404 D405 R406 | E108-N119 PolarHBondContact O-ND2 2.96Å; E108-H404 IonicContact OE1-CE1 3.82Å; E108-H404 PolarHBondContact OE1-CE1 3.14Å; E108-D405 VanDerWaalsContact OE2-OD2 3.1Å; E108-R406 IonicContact OE2-CZ 2.62Å; E108-R406 IonicContact OE2-NH2 3.85Å; E108-R406 PolarHBondContact OE2-NH2 3.36Å | ||
| 109 | P | 61.6 | Low | 64.6 | Low | 63 Ų | 63 | 89.2 Ų | 89.2 | 41% | 0.409 | 46% | 0.464 | S | S | . | . | trans | -66.1 | 145.8 | 169 | 29.8 | -34 | 0 | 0 | 0 | 110.6 | I111 | P109-I111 PolarHBondContact O-N 3.21Š| ||
| 110 | D | 62.7 | Low | 63 | Low | 62 Ų | 62 | 84 Ų | 84 | 33% | 0.332 | 44% | 0.444 | S | S | . | . | trans | -84.1 | 99.3 | 175.9 | -176.1 | -0.1 | 0 | 0 | 0 | 110 | F112 G113 S114 | D110-F112 PolarHBondContact O-N 3.3Å; D110-F112 VanDerWaalsContact O-N 3.08Å; D110-F112 PolarHBondContact OD1-N 2.94Å; D110-G113 PolarHBondContact O-N 3.25Å; D110-G113 PolarHBondContact OD1-N 3.25Å; D110-G113 WeakPolarHBondContact OD2-CA 3.3Å; D110-S114 PolarHBondContact OD1-N 3.44Å; D110-S114 WeakPolarHBondContact OD2-CA 3.37Å; D110-S114 PolarHBondContact OD2-N 3.48Å; D110-S114 VanDerWaalsContact OD2-O 3.13Å | ||
| 111 | I | 62.1 | Low | 62 | Low | 38 Ų | 38 | 87.8 Ų | 87.8 | 20% | 0.195 | 45% | 0.454 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -28.3 | -171.8 | -57.8 | 165.8 | 0 | 0 | 0 | 112.9 | V4 P109 L381 | V4-I111 HydrophobicContact CG1-CG2 3.47Å; V4-I111 VanDerWaalsContact CG1-CG2 3.47Å; P109-I111 PolarHBondContact O-N 3.21Å; I111-L381 HydrophobicContact CD1-CD2 3.57Å; I111-L381 HydrophobicContact CG1-CD2 4.3Å |
| 112 | F | 61.5 | Low | 61.1 | Low | 57 Ų | 57 | 87 Ų | 87 | 25% | 0.25 | 45% | 0.446 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.6 | 8.3 | -175.5 | -57.8 | -80.1 | 0 | 0 | 0 | 114 | V4 D110 S114 F408 L424 Q429 | V4-F112 HydrophobicContact CG1-CE1 4.38Å; V4-F112 HydrophobicContact CG1-CE2 4.47Å; V4-F112 HydrophobicContact CG1-CZ 3.77Å; D110-F112 PolarHBondContact O-N 3.3Å; D110-F112 VanDerWaalsContact O-N 3.08Å; D110-F112 PolarHBondContact OD1-N 2.94Å; F112-S114 PolarHBondContact O-N 2.86Å; F112-F408 AromaticContact CE2-CE1 3.73Å; F112-F408 HydrophobicContact CE2-CE1 3.73Å; F112-F408 HydrophobicContact CE2-CZ 4.09Å; F112-F408 HydrophobicContact CZ-CE1 4.01Å; F112-L424 HydrophobicContact CE1-CD2 4.39Å; F112-L424 HydrophobicContact CE1-CG 4.48Å; F112-L424 HydrophobicContact CZ-CD2 3.83Å; F112-L424 HydrophobicContact CZ-CG 4.03Å; F112-Q429 VanDerWaalsContact CE2-NE2 3.27Å |
| 113 | G | 52.3 | Low | 60.4 | Low | 53 Ų | 53 | 83.2 Ų | 83.2 | 55% | 0.546 | 43% | 0.434 | S | S | . | . | trans | 64.4 | 24.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | D110 V115 | D110-G113 PolarHBondContact O-N 3.25Å; D110-G113 PolarHBondContact OD1-N 3.25Å; D110-G113 WeakPolarHBondContact OD2-CA 3.3Å; G113-V115 PolarHBondContact O-N 3.42Å | ||
| 114 | S | 46.3 | Very low | 60.3 | Low | 68 Ų | 68 | 78.9 Ų | 78.9 | 48% | 0.476 | 41% | 0.413 | S | S | . | . | trans | -76.1 | 83.5 | 175.6 | 174 | 0 | 0 | 0 | 0 | 111.9 | D110 F112 T116 | D110-S114 PolarHBondContact OD1-N 3.44Å; D110-S114 WeakPolarHBondContact OD2-CA 3.37Å; D110-S114 PolarHBondContact OD2-N 3.48Å; D110-S114 VanDerWaalsContact OD2-O 3.13Å; F112-S114 PolarHBondContact O-N 2.86Å; S114-T116 PolarHBondContact O-N 3.45Å; S114-T116 PolarHBondContact OG-OG1 3.5Å | ||
| 115 | V | 41.4 | Very low | 60.4 | Low | 137 Ų | 137 | 80 Ų | 80 | 83% | 0.83 | 42% | 0.417 | S | S | * | . | trans | -45.4 | -17.2 | 175.8 | -176.9 | 0 | 0 | 0 | 0 | 115.1 | G113 R117 | G113-V115 PolarHBondContact O-N 3.42Å; V115-R117 PolarHBondContact O-N 3.31Å | ||
| 116 | T | 40 | Very low | 61.1 | Low | 111 Ų | 111 | 75.1 Ų | 75.1 | 68% | 0.681 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -93.9 | 55.6 | -171.6 | 50.2 | 0 | 0 | 0 | 0 | 115.8 | S114 | S114-T116 PolarHBondContact O-N 3.45Å; S114-T116 PolarHBondContact OG-OG1 3.5Å |
| 117 | R | 44.6 | Very low | 62 | Low | 220 Ų | 220 | 74.1 Ų | 74.1 | 83% | 0.83 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -173.8 | 146 | 143.1 | -102.6 | 154.5 | -161.1 | -154 | 5.8 | 111.2 | V115 N119 | V115-R117 PolarHBondContact O-N 3.31Å; R117-N119 PolarHBondContact O-N 2.91Å |
| 118 | R | 45.1 | Very low | 63.1 | Low | 247 Ų | 247 | 74.3 Ų | 74.3 | 93% | 0.932 | 39% | 0.389 | S | S | * | . | trans | -53.7 | 113.1 | 175.5 | -66.8 | 173.5 | 178 | 154.7 | -1.4 | 109.6 | A120 | R118-A120 PolarHBondContact O-N 3.25Š| ||
| 119 | N | 50.7 | Low | 64.5 | Low | 70 Ų | 70 | 74.1 Ų | 74.1 | 37% | 0.374 | 39% | 0.391 | S | S | . | . | trans | -53.9 | 113 | 177.4 | -56.2 | 39.4 | 0 | 0 | 0 | 108.8 | Q107 E108 R117 K121 | Q107-N119 HydrophobicContact CG-CB 3.78Å; Q107-N119 PolarHBondContact NE2-ND2 3.48Å; E108-N119 PolarHBondContact O-ND2 2.96Å; R117-N119 PolarHBondContact O-N 2.91Å; N119-K121 PolarHBondContact O-N 3.07Å | ||
| 120 | A | 54.9 | Low | 66 | Low | 53 Ų | 53 | 77.6 Ų | 77.6 | 44% | 0.438 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 120.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | R118 I122 T434 | R118-A120 PolarHBondContact O-N 3.25Å; A120-I122 PolarHBondContact O-N 3.38Å; A120-T434 HydrophobicContact CB-CG2 3.47Å; A120-T434 VanDerWaalsContact CB-CG2 3.47Å |
| 121 | K | 64.9 | Low | 67.5 | Low | 115 Ų | 115 | 75.1 Ų | 75.1 | 50% | 0.5 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 118.1 | 179.6 | -67.2 | -174.9 | 177.9 | -173.6 | 0 | 108.9 | M105 H106 Q107 N119 | M105-K121 HydrophobicContact CE-CB 3.53Å; M105-K121 HydrophobicContact CE-CD 4.13Å; M105-K121 HydrophobicContact CE-CG 4.47Å; M105-K121 HydrophobicContact SD-CB 4.31Å; H106-K121 CarbonylContact O-C 3.58Å; H106-K121 VanDerWaalsContact O-CA 3.27Å; H106-K121 WeakPolarHBondContact O-CA 3.45Å; Q107-K121 HydrophobicContact CB-CG 4.42Å; N119-K121 PolarHBondContact O-N 3.07Å |
| 122 | I | 66.9 | Low | 69.1 | Low | 3 Ų | 3 | 75.6 Ų | 75.6 | 2% | 0.015 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 116.1 | 176.6 | -56 | 174.4 | 0 | 0 | 0 | 107.5 | H106 A120 R124 T434 L437 | H106-I122 PolarHBondContact N-O 2.97Å; H106-I122 PolarHBondContact O-N 2.88Å; A120-I122 PolarHBondContact O-N 3.38Å; I122-R124 HydrophobicContact CG2-CG 3.79Å; I122-T434 HydrophobicContact CD1-CG2 4.41Å; I122-T434 HydrophobicContact CG1-CG2 3.75Å; I122-L437 HydrophobicContact CD1-CD1 4.29Å |
| 123 | A | 71.4 | Confident | 70.7 | Confident | 33 Ų | 33 | 76.4 Ų | 76.4 | 27% | 0.273 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 121.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | M105 | M105-A123 HydrophobicContact SD-CB 3.6Å |
| 124 | R | 77.6 | Confident | 72.6 | Confident | 22 Ų | 22 | 76.8 Ų | 76.8 | 8% | 0.083 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 141.5 | 174.2 | -52.9 | -152.7 | 82.1 | -148.8 | 1.1 | 110.4 | F47 H103 V104 I122 V126 W441 | F47-R124 PolarHBondContact O-NH1 3.18Å; H103-R124 CarbonylContact C-O 3.57Å; H103-R124 WeakPolarHBondContact CA-O 3.34Å; V104-R124 PolarHBondContact N-O 2.83Å; V104-R124 PolarHBondContact O-N 3.18Å; I122-R124 HydrophobicContact CG2-CG 3.79Å; R124-V126 PolarHBondContact O-N 3.47Å; R124-W441 VanDerWaalsContact CZ-CE3 3.42Å; R124-W441 VanDerWaalsContact NH2-CE3 3.27Å; R124-W441 PolarHBondContact NH2-O 2.91Å |
| 125 | L | 83.1 | Confident | 74.9 | Confident | 69 Ų | 69 | 75 Ų | 75 | 36% | 0.361 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 119.2 | 172.9 | -142 | 79.5 | 0 | 0 | 0 | 108.6 | A101 H103 | A101-L125 HydrophobicContact CB-CD2 3.71Å; A101-L125 HydrophobicContact CB-CG 3.63Å; H103-L125 VanDerWaalsContact CE1-CD1 3.45Å; H103-L125 WeakPolarHBondContact CE1-CD1 3.46Å; H103-L125 WeakPolarHBondContact NE2-CD1 3.48Å |
| 126 | V | 88.3 | Confident | 77.4 | Confident | 10 Ų | 10 | 70.9 Ų | 70.9 | 6% | 0.061 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 118.8 | 179.3 | 179.9 | 0 | 0 | 0 | 0 | 108.4 | F45 P48 L52 A101 E102 V104 R124 | F45-V126 HydrophobicContact CB-CG1 4.49Å; F45-V126 HydrophobicContact CD1-CG1 4.29Å; F45-V126 HydrophobicContact CD1-CG2 3.98Å; F45-V126 HydrophobicContact CE1-CG2 4.1Å; F45-V126 HydrophobicContact CG-CG1 4.44Å; P48-V126 HydrophobicContact CG-CG2 4.11Å; L52-V126 HydrophobicContact CD2-CG1 3.4Å; A101-V126 CarbonylContact C-O 3.5Å; A101-V126 VanDerWaalsContact CA-O 3.23Å; A101-V126 WeakPolarHBondContact CA-O 3.42Å; A101-V126 WeakPolarHBondContact CB-O 3.4Å; E102-V126 PolarHBondContact N-O 3.48Å; E102-V126 PolarHBondContact O-N 3.47Å; V104-V126 HydrophobicContact CB-CG2 3.72Å; V104-V126 HydrophobicContact CG2-CB 3.81Å; V104-V126 HydrophobicContact CG2-CG1 4.49Å; V104-V126 HydrophobicContact CG2-CG2 3.54Å; R124-V126 PolarHBondContact O-N 3.47Å |
| 127 | P | 91.9 | Very high | 79.9 | Confident | 3 Ų | 3 | 66.9 Ų | 66.9 | 2% | 0.019 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 156.7 | -173.8 | 31.7 | -35 | 0 | 0 | 0 | 112 | F32 V96 N97 W98 A101 | F32-P127 HydrophobicContact CE1-CG 3.87Å; F32-P127 HydrophobicContact CZ-CG 4.01Å; V96-P127 HydrophobicContact CG1-CB 3.64Å; V96-P127 HydrophobicContact CG1-CG 3.78Å; N97-P127 WeakPolarHBondContact O-CB 3.37Å; W98-P127 HydrophobicContact CD2-CB 3.76Å; W98-P127 HydrophobicContact CD2-CG 4.15Å; W98-P127 HydrophobicContact CE3-CB 3.76Å; W98-P127 HydrophobicContact CE3-CG 4.05Å; W98-P127 HydrophobicContact CG-CB 4.25Å; W98-P127 HydrophobicContact CH2-CB 4.45Å; W98-P127 HydrophobicContact CH2-CG 3.83Å; W98-P127 HydrophobicContact CZ2-CB 4.45Å; W98-P127 HydrophobicContact CZ2-CG 3.93Å; W98-P127 HydrophobicContact CZ3-CB 4.12Å; W98-P127 HydrophobicContact CZ3-CG 3.89Å; A101-P127 HydrophobicContact CB-CB 4.42Å |
| 128 | K | 92.6 | Very high | 82.2 | Confident | 105 Ų | 105 | 61.4 Ų | 61.4 | 46% | 0.457 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 127.7 | 169.1 | -71 | -177.9 | -173.9 | 176.5 | 0 | 109.2 | N97 A100 E102 | N97-K128 PolarHBondContact N-O 3.16Å; N97-K128 PolarHBondContact O-N 2.91Å; N97-K128 VanDerWaalsContact O-N 3.12Å; A100-K128 HydrophobicContact CB-CD 4.07Å; A100-K128 WeakPolarHBondContact O-CD 3.46Å; A100-K128 VanDerWaalsContact O-CE 3.23Å; A100-K128 WeakPolarHBondContact O-CE 3.21Å; A100-K128 WeakPolarHBondContact O-CG 3.35Å; E102-K128 WeakPolarHBondContact OE1-CE 3.19Å; E102-K128 IonicContact OE1-NZ 3.49Å; E102-K128 PolarHBondContact OE1-NZ 3.48Å |
| 129 | A | 94 | Very high | 83.9 | Confident | 18 Ų | 18 | 50.4 Ų | 50.4 | 15% | 0.149 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 153.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L43 L52 V53 F95 V96 | L43-A129 HydrophobicContact CD2-CB 3.86Å; L52-A129 HydrophobicContact CB-CB 3.93Å; L52-A129 HydrophobicContact CD1-CB 4Å; V53-A129 HydrophobicContact CG1-CB 4.46Å; F95-A129 CarbonylContact O-C 3.52Å; F95-A129 VanDerWaalsContact O-CA 3.25Å; F95-A129 WeakPolarHBondContact O-CA 2.97Å; V96-A129 HydrophobicContact CG2-CB 4.5Å |
| 130 | R | 94.3 | Very high | 85.5 | Confident | 136 Ų | 136 | 53 Ų | 53 | 51% | 0.513 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 130.6 | 173.7 | -178.6 | -178 | 66.1 | 122.4 | 2.3 | 109.7 | F95 V132 | F95-R130 HydrophobicContact CB-CB 4.39Å; F95-R130 VanDerWaalsContact CD2-NH2 3.29Å; F95-R130 PolarHBondContact N-O 3Å; F95-R130 PolarHBondContact O-N 2.95Å; R130-V132 HydrophobicContact CG-CG2 4.2Å |
| 131 | L | 94.6 | Very high | 86.9 | Confident | 9 Ų | 9 | 51.8 Ų | 51.8 | 5% | 0.047 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 141.4 | 170 | -128.5 | 80.9 | 0 | 0 | 0 | 109.9 | V41 L43 V53 L55 I80 F92 V94 | V41-L131 HydrophobicContact CB-CD2 4.34Å; V41-L131 HydrophobicContact CG1-CD2 3.96Å; L43-L131 HydrophobicContact CB-CD1 4.36Å; L43-L131 HydrophobicContact CD2-CD1 4.33Å; V53-L131 HydrophobicContact CG1-CB 4.29Å; V53-L131 HydrophobicContact CG1-CD1 4.37Å; L55-L131 HydrophobicContact CB-CB 4.32Å; L55-L131 HydrophobicContact CB-CD2 4.24Å; L55-L131 HydrophobicContact CD2-CB 4.23Å; L55-L131 HydrophobicContact CD2-CD2 4.07Å; I80-L131 HydrophobicContact CD1-CD1 4.11Å; F92-L131 HydrophobicContact CB-CD2 3.93Å; F92-L131 HydrophobicContact CB-CG 4.07Å; F92-L131 HydrophobicContact CD1-CD2 3.88Å; F92-L131 HydrophobicContact CG-CD2 3.91Å; V94-L131 HydrophobicContact CG2-CD1 4.05Å |
| 132 | V | 94.9 | Very high | 88.1 | Confident | 48 Ų | 48 | 52.9 Ų | 52.9 | 29% | 0.291 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 125.4 | 174 | -174.5 | 0 | 0 | 0 | 0 | 109 | F92 K93 F95 R130 A134 | F92-V132 CarbonylContact C-O 3.59Å; F92-V132 VanDerWaalsContact CA-O 3.31Å; F92-V132 WeakPolarHBondContact CA-O 3.33Å; K93-V132 PolarHBondContact N-O 3.15Å; K93-V132 PolarHBondContact O-N 3.49Å; F95-V132 HydrophobicContact CD2-CG2 4.06Å; F95-V132 HydrophobicContact CE2-CB 4.29Å; F95-V132 HydrophobicContact CE2-CG2 3.77Å; R130-V132 HydrophobicContact CG-CG2 4.2Å; V132-A134 PolarHBondContact O-N 3.09Å |
| 133 | L | 94.3 | Very high | 89.3 | Confident | 75 Ų | 75 | 53.5 Ų | 53.5 | 39% | 0.393 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 116.1 | 168.8 | -178.4 | 62.5 | 0 | 0 | 0 | 108.9 | L90 F92 S135 | L90-L133 HydrophobicContact CB-CD1 3.84Å; L90-L133 HydrophobicContact CD2-CD1 4.12Å; L90-L133 HydrophobicContact CG-CD1 4.49Å; F92-L133 HydrophobicContact CD1-CB 4.1Å; F92-L133 HydrophobicContact CD1-CD1 4.08Å; F92-L133 HydrophobicContact CE1-CB 4.06Å; F92-L133 HydrophobicContact CE1-CD1 3.83Å; F92-L133 HydrophobicContact CE1-CG 4.47Å; F92-L133 HydrophobicContact CZ-CD1 4.2Å; L133-S135 WeakPolarHBondContact CD1-O 2.95Å |
| 134 | A | 94.1 | Very high | 90.3 | Very high | 60 Ų | 60 | 52.7 Ų | 52.7 | 50% | 0.496 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | -40.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F79 L91 K93 V132 | F79-A134 HydrophobicContact CE1-CB 4.15Å; L91-A134 WeakPolarHBondContact O-CB 3.27Å; L91-A134 PolarHBondContact O-N 3.32Å; K93-A134 HydrophobicContact CB-CB 4.2Å; V132-A134 PolarHBondContact O-N 3.09Å |
| 135 | S | 92.9 | Very high | 91 | Very high | 30 Ų | 30 | 51.7 Ų | 51.7 | 21% | 0.21 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 156.7 | 174 | 57.9 | 0 | 0 | 0 | 0 | 112.1 | L91 L133 | L91-S135 PolarHBondContact N-O 2.91Å; L91-S135 PolarHBondContact O-N 2.95Å; L133-S135 WeakPolarHBondContact CD1-O 2.95Å |
| 136 | T | 94 | Very high | 91.5 | Very high | 52 Ų | 52 | 49.5 Ų | 49.5 | 32% | 0.319 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 125.3 | 174.7 | -62.1 | 0 | 0 | 0 | 0 | 107.4 | T65 F88 L89 L90 | T65-T136 HydrophobicContact CG2-CG2 4.26Å; F88-T136 HydrophobicContact CD1-CG2 3.71Å; F88-T136 HydrophobicContact CE1-CG2 4.43Å; F88-T136 HydrophobicContact CG-CG2 4.49Å; L89-T136 WeakPolarHBondContact O-CA 3.48Å; L90-T136 HydrophobicContact CD2-CG2 3.74Å; L90-T136 WeakPolarHBondContact CD2-OG1 3.47Å |
| 137 | I | 93.6 | Very high | 91.8 | Very high | 27 Ų | 27 | 49.7 Ų | 49.7 | 14% | 0.138 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 127.8 | -178.8 | -47.5 | 171.5 | 0 | 0 | 0 | 107 | F88 L89 L91 L139 F165 | F88-I137 CarbonylContact C-O 3.55Å; F88-I137 VanDerWaalsContact CA-O 3.26Å; F88-I137 WeakPolarHBondContact CA-O 3.38Å; L89-I137 HydrophobicContact CB-CB 4.21Å; L89-I137 HydrophobicContact CD1-CD1 4.32Å; L89-I137 PolarHBondContact N-O 2.94Å; L89-I137 PolarHBondContact O-N 3.39Å; L91-I137 HydrophobicContact CD1-CD1 3.88Å; L91-I137 HydrophobicContact CD1-CG1 4.44Å; I137-L139 HydrophobicContact CG2-CD2 3.97Å; I137-L139 HydrophobicContact CG2-CG 4.36Å; I137-F165 HydrophobicContact CD1-CD1 4.25Å; I137-F165 HydrophobicContact CD1-CE1 4.34Å; I137-F165 HydrophobicContact CG2-CE1 4.4Å |
| 138 | D | 91.4 | Very high | 91.9 | Very high | 104 Ų | 104 | 51 Ų | 51 | 56% | 0.556 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 120.8 | 173.3 | -168.6 | -24.4 | 0 | 0 | 0 | 108.3 | F88 | F88-D138 HydrophobicContact CD1-CB 3.94Å; F88-D138 HydrophobicContact CE1-CB 3.57Å; F88-D138 HydrophobicContact CZ-CB 4.28Å; F88-D138 WeakPolarHBondContact CZ-OD2 3.26Å |
| 139 | L | 82.6 | Confident | 91.8 | Very high | 16 Ų | 16 | 46.9 Ų | 46.9 | 8% | 0.084 | 26% | 0.259 | C | S | . | . | trans | -114.1 | 108.4 | 173.3 | -58.2 | 176.1 | 0 | 0 | 0 | 107.2 | D87 L89 I137 S141 I143 V155 F165 | D87-L139 WeakPolarHBondContact CB-O 3.46Å; D87-L139 WeakPolarHBondContact O-CB 3.26Å; D87-L139 PolarHBondContact O-N 3.26Å; L89-L139 HydrophobicContact CD1-CD1 3.5Å; L89-L139 VanDerWaalsContact CD1-CD1 3.5Å; L89-L139 HydrophobicContact CD1-CG 4.45Å; L89-L139 HydrophobicContact CD2-CD1 4.5Å; L89-L139 HydrophobicContact CG-CD1 3.69Å; I137-L139 HydrophobicContact CG2-CD2 3.97Å; I137-L139 HydrophobicContact CG2-CG 4.36Å; L139-S141 PolarHBondContact O-N 3.17Å; L139-I143 HydrophobicContact CD1-CD1 4.12Å; L139-I143 HydrophobicContact CD1-CG1 4.25Å; L139-V155 HydrophobicContact CD1-CG1 4.18Å; L139-F165 HydrophobicContact CD1-CE2 4.5Å; L139-F165 HydrophobicContact CD2-CE2 4.47Å; L139-F165 HydrophobicContact CD2-CZ 3.81Å | ||
| 140 | S | 83.1 | Confident | 91.4 | Very high | 125 Ų | 125 | 53.5 Ų | 53.5 | 87% | 0.874 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -71.8 | 21.8 | -171.8 | 56.4 | 0 | 0 | 0 | 0 | 115.1 | ||
| 141 | S | 85 | Confident | 91.2 | Very high | 27 Ų | 27 | 51.7 Ų | 51.7 | 19% | 0.189 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -150.7 | 146 | -175.1 | -179.6 | 0 | 0 | 0 | 0 | 109.8 | L139 I143 D159 | L139-S141 PolarHBondContact O-N 3.17Å; S141-I143 PolarHBondContact O-N 2.91Å; S141-D159 WeakPolarHBondContact CB-OD2 3.26Å; S141-D159 PolarHBondContact OG-OD2 3.08Å |
| 142 | R | 88.8 | Confident | 91.1 | Very high | 139 Ų | 139 | 53 Ų | 53 | 53% | 0.525 | 29% | 0.288 | S | S | . | . | trans | -66.6 | 121.2 | -166.7 | -170 | 174.4 | -176.4 | 177.6 | 3.2 | 112.7 | D87 T144 H157 R158 | D87-R142 VanDerWaalsContact OD1-CA 3.31Å; D87-R142 WeakPolarHBondContact OD1-CA 3.48Å; D87-R142 WeakPolarHBondContact OD1-CG 3.47Å; R142-T144 PolarHBondContact O-N 3.13Å; R142-H157 CarbonylContact O-C 3.34Å; R142-H157 WeakPolarHBondContact O-CA 3.47Å; R142-R158 HydrophobicContact CB-CB 4.22Å; R142-R158 PolarHBondContact O-N 3.01Å | ||
| 143 | I | 92.5 | Very high | 91.1 | Very high | 16 Ų | 16 | 50.7 Ų | 50.7 | 8% | 0.082 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 126.2 | 176.7 | -59 | 166.6 | 0 | 0 | 0 | 109.3 | D87 L89 L139 S141 F146 V155 | D87-I143 WeakPolarHBondContact O-CD1 3.34Å; D87-I143 PolarHBondContact OD1-N 3.28Å; L89-I143 HydrophobicContact CD2-CD1 3.7Å; L89-I143 HydrophobicContact CG-CD1 4.13Å; L139-I143 HydrophobicContact CD1-CD1 4.12Å; L139-I143 HydrophobicContact CD1-CG1 4.25Å; S141-I143 PolarHBondContact O-N 2.91Å; I143-F146 HydrophobicContact CG2-CD1 4.35Å; I143-V155 HydrophobicContact CG1-CG1 4.21Å; I143-V155 HydrophobicContact CG2-CG1 3.74Å |
| 144 | T | 92.3 | Very high | 91.2 | Very high | 16 Ų | 16 | 47.2 Ų | 47.2 | 10% | 0.098 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | -39.5 | -176.1 | 63.8 | 0 | 0 | 0 | 0 | 113.1 | R70 R142 S156 R158 Y209 L210 | R70-T144 PolarHBondContact NH1-O 3.17Å; R70-T144 PolarHBondContact NH2-O 3.4Å; R142-T144 PolarHBondContact O-N 3.13Å; T144-S156 PolarHBondContact N-O 3.29Å; T144-S156 WeakPolarHBondContact OG1-CB 3.07Å; T144-S156 PolarHBondContact OG1-O 3.15Å; T144-S156 PolarHBondContact OG1-OG 3.22Å; T144-R158 HydrophobicContact CG2-CB 3.95Å; T144-Y209 HydrophobicContact CG2-CD2 3.74Å; T144-Y209 HydrophobicContact CG2-CE2 4.16Å; T144-L210 WeakPolarHBondContact CB-O 3.19Å; T144-L210 PolarHBondContact OG1-O 2.86Å |
| 145 | C | 93.5 | Very high | 91.2 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.007 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.5 | 167.6 | 174.7 | 57.9 | 0 | 0 | 0 | 0 | 111.5 | S156 L210 I213 | C145-S156 PolarHBondContact O-N 2.91Å; C145-L210 VanDerWaalsContact SG-CB 3.58Å; C145-I213 HydrophobicContact CB-CG2 4.04Å; C145-I213 VanDerWaalsContact SG-CG2 3.55Å |
| 146 | F | 93.8 | Very high | 91.3 | Very high | 22 Ų | 22 | 43 Ų | 43 | 10% | 0.096 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 158.6 | 177.4 | 46.3 | -121.2 | 0 | 0 | 0 | 111.4 | R70 L72 S83 I143 L154 V155 | R70-F146 HydrophobicContact CB-CE1 3.85Å; R70-F146 HydrophobicContact CB-CE2 4.27Å; R70-F146 HydrophobicContact CB-CZ 3.34Å; R70-F146 HydrophobicContact CG-CZ 4.47Å; L72-F146 HydrophobicContact CB-CD2 3.79Å; L72-F146 HydrophobicContact CB-CE2 3.54Å; L72-F146 HydrophobicContact CB-CZ 4.29Å; L72-F146 HydrophobicContact CD2-CD2 3.89Å; L72-F146 HydrophobicContact CD2-CG 4.47Å; L72-F146 HydrophobicContact CG-CD2 4.29Å; L72-F146 HydrophobicContact CG-CE2 4.47Å; S83-F146 WeakPolarHBondContact OG-CE1 3.43Å; I143-F146 HydrophobicContact CG2-CD1 4.35Å; F146-L154 CarbonylContact C-O 3.51Å; F146-L154 WeakPolarHBondContact CA-O 3.28Å; F146-L154 WeakPolarHBondContact CB-O 3.39Å; F146-V155 HydrophobicContact CB-CG2 4.27Å |
| 147 | V | 94.6 | Very high | 91.2 | Very high | 14 Ų | 14 | 40.9 Ų | 40.9 | 9% | 0.085 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 145.6 | 177.8 | 61.1 | 0 | 0 | 0 | 0 | 110.8 | F153 L154 I213 F222 | V147-F153 WeakPolarHBondContact O-CA 3.37Å; V147-L154 HydrophobicContact CG1-CB 4Å; V147-L154 HydrophobicContact CG1-CD1 4.45Å; V147-L154 PolarHBondContact N-O 3.31Å; V147-L154 PolarHBondContact O-N 3.04Å; V147-I213 HydrophobicContact CB-CG1 4.49Å; V147-I213 HydrophobicContact CB-CG2 4.06Å; V147-I213 HydrophobicContact CG1-CD1 3.81Å; V147-I213 HydrophobicContact CG1-CG1 3.95Å; V147-I213 HydrophobicContact CG1-CG2 4Å; V147-F222 HydrophobicContact CG1-CD1 4.18Å; V147-F222 HydrophobicContact CG1-CE1 4.04Å |
| 148 | T | 93.6 | Very high | 91 | Very high | 32 Ų | 32 | 46.1 Ų | 46.1 | 20% | 0.196 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 138.6 | 175.5 | -166.5 | 0 | 0 | 0 | 0 | 111.4 | L72 P75 | L72-T148 HydrophobicContact CD1-CG2 4.22Å; P75-T148 WeakPolarHBondContact CD-OG1 3.33Å; P75-T148 HydrophobicContact CG-CG2 3.99Å |
| 149 | L | 89.9 | Confident | 90.8 | Very high | 18 Ų | 18 | 43.5 Ų | 43.5 | 9% | 0.094 | 21% | 0.213 | C | C | . | . | trans | -97.6 | -153.2 | 154.1 | -67.1 | -179.5 | 0 | 0 | 0 | 108 | P75 E152 L154 Y215 F222 | P75-L149 VanDerWaalsContact CG-O 3.26Å; P75-L149 WeakPolarHBondContact CG-O 3.19Å; L149-E152 CarbonylContact C-O 3.41Å; L149-E152 WeakPolarHBondContact CA-O 3.12Å; L149-E152 HydrophobicContact CB-CB 4.41Å; L149-E152 PolarHBondContact N-O 2.98Å; L149-L154 HydrophobicContact CD1-CD1 3.54Å; L149-L154 HydrophobicContact CG-CD1 3.61Å; L149-Y215 HydrophobicContact CD2-CD1 3.98Å; L149-Y215 HydrophobicContact CD2-CD2 3.88Å; L149-Y215 HydrophobicContact CD2-CE1 4.08Å; L149-Y215 HydrophobicContact CD2-CE2 3.99Å; L149-Y215 HydrophobicContact CD2-CG 3.89Å; L149-F222 HydrophobicContact CD1-CZ 4.47Å; L149-F222 HydrophobicContact CD2-CE1 3.97Å; L149-F222 HydrophobicContact CD2-CZ 3.96Å | ||
| 150 | K | 85.2 | Confident | 91.1 | Very high | 157 Ų | 157 | 42.7 Ų | 42.7 | 68% | 0.683 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -79.4 | -63.2 | -176.8 | -166 | -174.6 | 175.1 | -174.3 | 0 | 112.6 | ||
| 151 | E | 89.9 | Confident | 91.5 | Very high | 97 Ų | 97 | 39.8 Ų | 39.8 | 45% | 0.453 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -108.1 | 7.2 | 179.2 | -53.1 | -51.9 | 149.4 | 0 | 0 | 112.9 | K74 W167 | K74-E151 WeakPolarHBondContact CE-OE2 3.27Å; K74-E151 IonicContact NZ-OE2 2.66Å; K74-E151 PolarHBondContact NZ-OE2 3.33Å; E151-W167 VanDerWaalsContact C-CD1 3.42Å; E151-W167 VanDerWaalsContact O-CD1 3.32Å |
| 152 | E | 93.4 | Very high | 91.9 | Very high | 37 Ų | 37 | 38.5 Ų | 38.5 | 17% | 0.173 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 162.7 | -174.4 | -63 | 162 | 155.6 | 0 | 0 | 109.6 | L149 R164 F165 L166 | L149-E152 CarbonylContact C-O 3.41Å; L149-E152 WeakPolarHBondContact CA-O 3.12Å; L149-E152 HydrophobicContact CB-CB 4.41Å; L149-E152 PolarHBondContact N-O 2.98Å; E152-R164 HydrophobicContact CB-CG 4.44Å; E152-R164 VanDerWaalsContact CD-NE 3.33Å; E152-R164 IonicContact OE1-NE 3.95Å; E152-R164 IonicContact OE1-NH2 3.41Å; E152-R164 IonicContact OE2-CZ 3.38Å; E152-R164 IonicContact OE2-NE 2.61Å; E152-R164 PolarHBondContact OE2-NE 3.47Å; E152-R164 IonicContact OE2-NH2 2.81Å; E152-R164 PolarHBondContact OE2-NH2 3.37Å; E152-F165 CarbonylContact C-O 3.58Å; E152-F165 WeakPolarHBondContact CA-O 3.28Å; E152-F165 WeakPolarHBondContact CB-O 3.49Å; E152-L166 HydrophobicContact CG-CD2 3.84Å |
| 153 | F | 95.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 152 | 167 | 61.9 | -89.1 | 0 | 0 | 0 | 110.5 | L72 L81 L89 L91 V147 V155 F165 L166 W167 | L72-F153 HydrophobicContact CD2-CB 4.2Å; L81-F153 HydrophobicContact CD1-CE1 4.47Å; L81-F153 HydrophobicContact CD1-CE2 3.92Å; L81-F153 HydrophobicContact CD1-CZ 3.83Å; L81-F153 HydrophobicContact CD2-CD2 3.45Å; L81-F153 VanDerWaalsContact CD2-CD2 3.45Å; L81-F153 HydrophobicContact CD2-CE2 3.5Å; L81-F153 HydrophobicContact CD2-CG 4.04Å; L81-F153 HydrophobicContact CD2-CZ 4.13Å; L81-F153 HydrophobicContact CG-CE2 4.37Å; L89-F153 HydrophobicContact CD1-CE2 3.97Å; L89-F153 HydrophobicContact CD1-CZ 4.47Å; L91-F153 HydrophobicContact CD1-CZ 4.33Å; L91-F153 HydrophobicContact CD2-CE1 4.19Å; V147-F153 WeakPolarHBondContact O-CA 3.37Å; F153-V155 HydrophobicContact CD2-CG2 3.6Å; F153-V155 HydrophobicContact CE2-CG2 3.66Å; F153-F165 HydrophobicContact CD1-CB 4.19Å; F153-F165 HydrophobicContact CD2-CB 4.11Å; F153-F165 HydrophobicContact CD2-CD2 4.43Å; F153-F165 HydrophobicContact CE1-CB 3.65Å; F153-F165 HydrophobicContact CE2-CB 3.56Å; F153-F165 AromaticContact CE2-CD2 3.8Å; F153-F165 HydrophobicContact CE2-CD2 3.8Å; F153-F165 AromaticContact CE2-CG 3.92Å; F153-F165 HydrophobicContact CE2-CG 3.92Å; F153-F165 HydrophobicContact CG-CB 4.41Å; F153-F165 HydrophobicContact CZ-CB 3.31Å; F153-F165 HydrophobicContact CZ-CD2 4.28Å; F153-F165 AromaticContact CZ-CG 3.93Å; F153-F165 HydrophobicContact CZ-CG 3.93Å; F153-F165 PolarHBondContact N-O 3.15Å; F153-F165 PolarHBondContact O-N 3.09Å; F153-L166 WeakPolarHBondContact CE1-O 3.47Å; F153-W167 HydrophobicContact CB-CZ2 4.08Å; F153-W167 AromaticContact CD1-CD2 3.86Å; F153-W167 HydrophobicContact CD1-CD2 3.86Å; F153-W167 AromaticContact CD1-CE2 3.8Å; F153-W167 HydrophobicContact CD1-CE3 4.18Å; F153-W167 HydrophobicContact CD1-CG 4.3Å; F153-W167 HydrophobicContact CD1-CH2 4.4Å; F153-W167 HydrophobicContact CD1-CZ2 4.08Å; F153-W167 HydrophobicContact CD1-CZ3 4.45Å; F153-W167 HydrophobicContact CE1-CD2 4.31Å; F153-W167 HydrophobicContact CE1-CE3 4.35Å; F153-W167 HydrophobicContact CG-CZ2 4.42Å |
| 154 | L | 95.5 | Very high | 92.3 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 141.7 | 177.4 | -70.8 | 81.7 | 0 | 0 | 0 | 109.4 | F146 V147 L149 V162 H163 R164 W177 F222 | F146-L154 CarbonylContact C-O 3.51Å; F146-L154 WeakPolarHBondContact CA-O 3.28Å; F146-L154 WeakPolarHBondContact CB-O 3.39Å; V147-L154 HydrophobicContact CG1-CB 4Å; V147-L154 HydrophobicContact CG1-CD1 4.45Å; V147-L154 PolarHBondContact N-O 3.31Å; V147-L154 PolarHBondContact O-N 3.04Å; L149-L154 HydrophobicContact CD1-CD1 3.54Å; L149-L154 HydrophobicContact CG-CD1 3.61Å; L154-V162 HydrophobicContact CB-CG1 3.91Å; L154-V162 HydrophobicContact CD2-CG1 3.85Å; L154-V162 HydrophobicContact CG-CG1 4.32Å; L154-H163 CarbonylContact C-O 3.55Å; L154-H163 WeakPolarHBondContact CA-O 3.31Å; L154-R164 HydrophobicContact CD1-CG 4.49Å; L154-R164 HydrophobicContact CG-CG 4.32Å; L154-W177 HydrophobicContact CD2-CZ2 3.94Å; L154-F222 HydrophobicContact CD1-CE1 4.42Å; L154-F222 HydrophobicContact CD1-CZ 4.35Å; L154-F222 HydrophobicContact CD2-CE1 4.37Å; L154-F222 HydrophobicContact CD2-CZ 4.06Å |
| 155 | V | 95.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 119.4 | 179.3 | -172.6 | 0 | 0 | 0 | 0 | 108.4 | L89 L139 I143 F146 F153 V162 H163 F165 | L89-V155 HydrophobicContact CD1-CG2 4.07Å; L139-V155 HydrophobicContact CD1-CG1 4.18Å; I143-V155 HydrophobicContact CG1-CG1 4.21Å; I143-V155 HydrophobicContact CG2-CG1 3.74Å; F146-V155 HydrophobicContact CB-CG2 4.27Å; F153-V155 HydrophobicContact CD2-CG2 3.6Å; F153-V155 HydrophobicContact CE2-CG2 3.66Å; V155-V162 CarbonylContact O-C 3.53Å; V155-V162 WeakPolarHBondContact O-CA 3.42Å; V155-H163 PolarHBondContact N-O 3.27Å; V155-H163 PolarHBondContact O-N 3.43Å; V155-F165 HydrophobicContact CB-CE2 4.46Å; V155-F165 HydrophobicContact CG2-CD2 4.11Å; V155-F165 HydrophobicContact CG2-CE2 4.32Å |
| 156 | S | 94.4 | Very high | 92.5 | Very high | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.014 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 138.2 | 176.3 | -173.1 | 0 | 0 | 0 | 0 | 110.5 | T144 C145 L210 | T144-S156 PolarHBondContact N-O 3.29Å; T144-S156 WeakPolarHBondContact OG1-CB 3.07Å; T144-S156 PolarHBondContact OG1-O 3.15Å; T144-S156 PolarHBondContact OG1-OG 3.22Å; C145-S156 PolarHBondContact O-N 2.91Å; S156-L210 WeakPolarHBondContact OG-CB 3.48Å; S156-L210 WeakPolarHBondContact OG-CG 3.18Å |
| 157 | H | 91 | Very high | 92.5 | Very high | 6 Ų | 6 | 35 Ų | 35 | 3% | 0.028 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 163.9 | 176.6 | -70.4 | -170.4 | 0 | 0 | 0 | 111.7 | R142 D159 G160 I161 H163 Y209 | R142-H157 CarbonylContact O-C 3.34Å; R142-H157 WeakPolarHBondContact O-CA 3.47Å; H157-D159 VanDerWaalsContact CB-OD1 3.23Å; H157-D159 WeakPolarHBondContact CB-OD1 3.42Å; H157-D159 WeakPolarHBondContact CB-OD2 3.46Å; H157-D159 IonicContact CG-OD2 3.24Å; H157-D159 IonicContact ND1-OD2 2.69Å; H157-D159 PolarHBondContact O-N 3.23Å; H157-G160 PolarHBondContact O-N 3.49Å; H157-G160 VanDerWaalsContact O-N 3.13Å; H157-I161 PolarHBondContact N-O 2.94Å; H157-H163 AromaticContact CD2-CD2 3.96Å; H157-H163 AromaticContact CE1-CD2 3.27Å; H157-H163 PolarHBondContact CE1-CD2 3.19Å; H157-H163 AromaticContact CE1-NE2 3.51Å; H157-H163 AromaticContact CG-CD2 3.96Å; H157-H163 AromaticContact ND1-CD2 3.54Å; H157-H163 AromaticContact ND1-NE2 3.55Å; H157-H163 AromaticContact NE2-CD2 3.52Å; H157-Y209 WeakPolarHBondContact O-CB 3.23Å |
| 158 | R | 89.4 | Confident | 92.4 | Very high | 137 Ų | 137 | 38.4 Ų | 38.4 | 52% | 0.517 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -13.9 | 177 | -162.8 | 177 | -176.2 | -160.3 | -1 | 114.3 | R142 T144 Y209 | R142-R158 HydrophobicContact CB-CB 4.22Å; R142-R158 PolarHBondContact O-N 3.01Å; T144-R158 HydrophobicContact CG2-CB 3.95Å; R158-Y209 HydrophobicContact CG-CD1 4.12Å; R158-Y209 HydrophobicContact CG-CD2 4.31Å; R158-Y209 HydrophobicContact CG-CE1 4.07Å; R158-Y209 HydrophobicContact CG-CE2 4.21Å; R158-Y209 HydrophobicContact CG-CG 4.26Å |
| 159 | D | 87.6 | Confident | 92.3 | Very high | 49 Ų | 49 | 37.7 Ų | 37.7 | 26% | 0.262 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -3.3 | 170.4 | 51.7 | 47.1 | 0 | 0 | 0 | 113.5 | S141 H157 I161 L207 | S141-D159 WeakPolarHBondContact CB-OD2 3.26Å; S141-D159 PolarHBondContact OG-OD2 3.08Å; H157-D159 VanDerWaalsContact CB-OD1 3.23Å; H157-D159 WeakPolarHBondContact CB-OD1 3.42Å; H157-D159 WeakPolarHBondContact CB-OD2 3.46Å; H157-D159 IonicContact CG-OD2 3.24Å; H157-D159 IonicContact ND1-OD2 2.69Å; H157-D159 PolarHBondContact O-N 3.23Å; D159-I161 VanDerWaalsContact C-N 3.34Å; D159-I161 VanDerWaalsContact OD1-CB 3.26Å; D159-I161 WeakPolarHBondContact OD1-CB 3.27Å; D159-I161 WeakPolarHBondContact OD1-CG1 3.45Å; D159-I161 PolarHBondContact OD1-N 3.42Å; D159-L207 WeakPolarHBondContact O-CB 3.36Å; D159-L207 WeakPolarHBondContact O-CD1 3.36Å |
| 160 | G | 88.7 | Confident | 92.4 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | S | Bend | trans | 82.1 | 9.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | H157 S178 V179 P208 | H157-G160 PolarHBondContact O-N 3.49Å; H157-G160 VanDerWaalsContact O-N 3.13Å; G160-S178 WeakPolarHBondContact O-CA 3.48Å; G160-S178 PolarHBondContact O-OG 3.49Å; G160-V179 WeakPolarHBondContact O-CG2 3.42Å; G160-V179 PolarHBondContact O-N 3.37Å; G160-P208 VanDerWaalsContact CA-O 3.28Å; G160-P208 WeakPolarHBondContact CA-O 3.31Å |
| 161 | I | 91.6 | Very high | 92.8 | Very high | 63 Ų | 63 | 38.2 Ų | 38.2 | 32% | 0.323 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 141.1 | 170.2 | -54.7 | 174.8 | 0 | 0 | 0 | 109.4 | H157 D159 | H157-I161 PolarHBondContact N-O 2.94Å; D159-I161 VanDerWaalsContact C-N 3.34Å; D159-I161 VanDerWaalsContact OD1-CB 3.26Å; D159-I161 WeakPolarHBondContact OD1-CB 3.27Å; D159-I161 WeakPolarHBondContact OD1-CG1 3.45Å; D159-I161 PolarHBondContact OD1-N 3.42Å |
| 162 | V | 94.6 | Very high | 93 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 106 | 170 | -174.4 | 0 | 0 | 0 | 0 | 108.1 | L154 V155 C176 W177 V179 L210 | L154-V162 HydrophobicContact CB-CG1 3.91Å; L154-V162 HydrophobicContact CD2-CG1 3.85Å; L154-V162 HydrophobicContact CG-CG1 4.32Å; V155-V162 CarbonylContact O-C 3.53Å; V155-V162 WeakPolarHBondContact O-CA 3.42Å; V162-C176 WeakPolarHBondContact O-CA 3.3Å; V162-W177 HydrophobicContact CB-CD2 3.89Å; V162-W177 HydrophobicContact CB-CE3 3.94Å; V162-W177 HydrophobicContact CB-CH2 4.05Å; V162-W177 HydrophobicContact CB-CZ2 3.96Å; V162-W177 HydrophobicContact CB-CZ3 4.02Å; V162-W177 HydrophobicContact CG1-CH2 4.2Å; V162-W177 HydrophobicContact CG1-CZ2 3.82Å; V162-W177 HydrophobicContact CG2-CD2 4.26Å; V162-W177 HydrophobicContact CG2-CE3 3.79Å; V162-W177 HydrophobicContact CG2-CH2 3.63Å; V162-W177 HydrophobicContact CG2-CZ2 4.07Å; V162-W177 HydrophobicContact CG2-CZ3 3.46Å; V162-W177 VanDerWaalsContact CG2-CZ3 3.46Å; V162-W177 PolarHBondContact N-O 3.08Å; V162-W177 PolarHBondContact O-N 3.43Å; V162-W177 VanDerWaalsContact O-N 3.12Å; V162-V179 HydrophobicContact CG2-CG2 4.28Å; V162-L210 HydrophobicContact CG2-CD1 3.9Å; V162-L210 HydrophobicContact CG2-CG 4.45Å |
| 163 | H | 94.4 | Very high | 92.9 | Very high | 38 Ų | 38 | 40.1 Ų | 40.1 | 18% | 0.176 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 147.8 | 176.7 | -66.1 | -83.1 | 0 | 0 | 0 | 110.5 | L154 V155 H157 F165 I171 | L154-H163 CarbonylContact C-O 3.55Å; L154-H163 WeakPolarHBondContact CA-O 3.31Å; V155-H163 PolarHBondContact N-O 3.27Å; V155-H163 PolarHBondContact O-N 3.43Å; H157-H163 AromaticContact CD2-CD2 3.96Å; H157-H163 AromaticContact CE1-CD2 3.27Å; H157-H163 PolarHBondContact CE1-CD2 3.19Å; H157-H163 AromaticContact CE1-NE2 3.51Å; H157-H163 AromaticContact CG-CD2 3.96Å; H157-H163 AromaticContact ND1-CD2 3.54Å; H157-H163 AromaticContact ND1-NE2 3.55Å; H157-H163 AromaticContact NE2-CD2 3.52Å; H163-F165 HydrophobicContact CB-CD2 4.27Å; H163-F165 HydrophobicContact CB-CE2 3.52Å; H163-F165 HydrophobicContact CB-CZ 4.11Å; H163-I171 HydrophobicContact CB-CD1 4.38Å |
| 164 | R | 94.5 | Very high | 92.8 | Very high | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.015 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 128.4 | -179.9 | -166.8 | -178.1 | -167.1 | 150.1 | -13.5 | 109.7 | E152 L154 V172 L175 C176 R240 | E152-R164 HydrophobicContact CB-CG 4.44Å; E152-R164 VanDerWaalsContact CD-NE 3.33Å; E152-R164 IonicContact OE1-NE 3.95Å; E152-R164 IonicContact OE1-NH2 3.41Å; E152-R164 IonicContact OE2-CZ 3.38Å; E152-R164 IonicContact OE2-NE 2.61Å; E152-R164 PolarHBondContact OE2-NE 3.47Å; E152-R164 IonicContact OE2-NH2 2.81Å; E152-R164 PolarHBondContact OE2-NH2 3.37Å; L154-R164 HydrophobicContact CD1-CG 4.49Å; L154-R164 HydrophobicContact CG-CG 4.32Å; R164-V172 PolarHBondContact O-N 3.26Å; R164-L175 VanDerWaalsContact CD-CB 3.47Å; R164-C176 PolarHBondContact N-SG 3.15Å; R164-R240 PolarHBondContact NH1-O 2.94Å; R164-R240 PolarHBondContact NH2-O 2.87Å; R164-R240 VanDerWaalsContact NH2-O 3.07Å |
| 165 | F | 95.4 | Very high | 92.7 | Very high | 7 Ų | 7 | 47.5 Ų | 47.5 | 3% | 0.031 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 149.2 | -175.2 | -67.7 | -88.3 | 0 | 0 | 0 | 111.4 | I137 L139 E152 F153 V155 H163 Q170 I171 | I137-F165 HydrophobicContact CD1-CD1 4.25Å; I137-F165 HydrophobicContact CD1-CE1 4.34Å; I137-F165 HydrophobicContact CG2-CE1 4.4Å; L139-F165 HydrophobicContact CD1-CE2 4.5Å; L139-F165 HydrophobicContact CD2-CE2 4.47Å; L139-F165 HydrophobicContact CD2-CZ 3.81Å; E152-F165 CarbonylContact C-O 3.58Å; E152-F165 WeakPolarHBondContact CA-O 3.28Å; E152-F165 WeakPolarHBondContact CB-O 3.49Å; F153-F165 HydrophobicContact CD1-CB 4.19Å; F153-F165 HydrophobicContact CD2-CB 4.11Å; F153-F165 HydrophobicContact CD2-CD2 4.43Å; F153-F165 HydrophobicContact CE1-CB 3.65Å; F153-F165 HydrophobicContact CE2-CB 3.56Å; F153-F165 AromaticContact CE2-CD2 3.8Å; F153-F165 HydrophobicContact CE2-CD2 3.8Å; F153-F165 AromaticContact CE2-CG 3.92Å; F153-F165 HydrophobicContact CE2-CG 3.92Å; F153-F165 HydrophobicContact CG-CB 4.41Å; F153-F165 HydrophobicContact CZ-CB 3.31Å; F153-F165 HydrophobicContact CZ-CD2 4.28Å; F153-F165 AromaticContact CZ-CG 3.93Å; F153-F165 HydrophobicContact CZ-CG 3.93Å; F153-F165 PolarHBondContact N-O 3.15Å; F153-F165 PolarHBondContact O-N 3.09Å; V155-F165 HydrophobicContact CB-CE2 4.46Å; V155-F165 HydrophobicContact CG2-CD2 4.11Å; V155-F165 HydrophobicContact CG2-CE2 4.32Å; H163-F165 HydrophobicContact CB-CD2 4.27Å; H163-F165 HydrophobicContact CB-CE2 3.52Å; H163-F165 HydrophobicContact CB-CZ 4.11Å; F165-Q170 CarbonylContact C-O 3.58Å; F165-Q170 VanDerWaalsContact CA-O 3.3Å; F165-Q170 WeakPolarHBondContact CA-O 3.32Å; F165-I171 HydrophobicContact CD1-CB 3.92Å; F165-I171 HydrophobicContact CD1-CG1 4.4Å; F165-I171 HydrophobicContact CE1-CB 3.69Å; F165-I171 HydrophobicContact CE1-CD1 4.3Å; F165-I171 HydrophobicContact CE1-CG1 4.08Å; F165-I171 HydrophobicContact CZ-CB 4.41Å; F165-I171 HydrophobicContact CZ-CD1 4.18Å; F165-I171 HydrophobicContact CZ-CG1 4.33Å |
| 166 | L | 95.4 | Very high | 92.6 | Very high | 58 Ų | 58 | 48.7 Ų | 48.7 | 30% | 0.304 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 157.1 | 163.7 | -69.2 | 167.5 | 0 | 0 | 0 | 110.1 | E152 F153 D168 G169 Q170 V172 | E152-L166 HydrophobicContact CG-CD2 3.84Å; F153-L166 WeakPolarHBondContact CE1-O 3.47Å; L166-D168 VanDerWaalsContact CB-OD1 3.22Å; L166-D168 WeakPolarHBondContact CB-OD1 3.46Å; L166-D168 PolarHBondContact O-N 2.9Å; L166-D168 VanDerWaalsContact O-N 3.09Å; L166-G169 PolarHBondContact O-N 2.87Å; L166-Q170 HydrophobicContact CD1-CB 4.36Å; L166-Q170 PolarHBondContact N-O 2.91Å; L166-V172 HydrophobicContact CD1-CG2 4.21Å; L166-V172 HydrophobicContact CG-CG2 3.86Å |
| 167 | W | 93.7 | Very high | 92.6 | Very high | 13 Ų | 13 | 49 Ų | 49 | 5% | 0.049 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | 3.3 | -179.8 | -74.2 | 96.3 | 0 | 0 | 0 | 115.4 | L72 K74 F79 L81 L91 E151 F153 | L72-W167 HydrophobicContact CD2-CH2 4.5Å; L72-W167 HydrophobicContact CG-CH2 4.47Å; K74-W167 VanDerWaalsContact CA-CZ2 3.5Å; K74-W167 HydrophobicContact CB-CD2 3.87Å; K74-W167 HydrophobicContact CB-CE3 4.03Å; K74-W167 HydrophobicContact CB-CH2 3.91Å; K74-W167 HydrophobicContact CB-CZ2 3.74Å; K74-W167 HydrophobicContact CB-CZ3 4.04Å; K74-W167 HydrophobicContact CD-CB 4.07Å; K74-W167 HydrophobicContact CD-CD2 3.83Å; K74-W167 HydrophobicContact CD-CG 3.57Å; K74-W167 VanDerWaalsContact CE-CD1 3.43Å; K74-W167 HydrophobicContact CG-CD2 3.87Å; K74-W167 HydrophobicContact CG-CG 4.07Å; K74-W167 HydrophobicContact CG-CZ2 4.1Å; F79-W167 HydrophobicContact CB-CD2 4.46Å; F79-W167 HydrophobicContact CB-CE3 3.54Å; F79-W167 HydrophobicContact CB-CZ3 3.82Å; F79-W167 HydrophobicContact CG-CE3 4.24Å; L81-W167 HydrophobicContact CB-CH2 4.09Å; L81-W167 HydrophobicContact CB-CZ3 3.88Å; L91-W167 HydrophobicContact CD2-CE3 4.27Å; L91-W167 VanDerWaalsContact CD2-O 3.28Å; L91-W167 WeakPolarHBondContact CD2-O 3.38Å; E151-W167 VanDerWaalsContact C-CD1 3.42Å; E151-W167 VanDerWaalsContact O-CD1 3.32Å; F153-W167 HydrophobicContact CB-CZ2 4.08Å; F153-W167 AromaticContact CD1-CD2 3.86Å; F153-W167 HydrophobicContact CD1-CD2 3.86Å; F153-W167 AromaticContact CD1-CE2 3.8Å; F153-W167 HydrophobicContact CD1-CE3 4.18Å; F153-W167 HydrophobicContact CD1-CG 4.3Å; F153-W167 HydrophobicContact CD1-CH2 4.4Å; F153-W167 HydrophobicContact CD1-CZ2 4.08Å; F153-W167 HydrophobicContact CD1-CZ3 4.45Å; F153-W167 HydrophobicContact CE1-CD2 4.31Å; F153-W167 HydrophobicContact CE1-CE3 4.35Å; F153-W167 HydrophobicContact CG-CZ2 4.42Å |
| 168 | D | 91.4 | Very high | 92.6 | Very high | 85 Ų | 85 | 49.5 Ų | 49.5 | 46% | 0.455 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -10.8 | 164.5 | 66 | -7.7 | 0 | 0 | 0 | 112.8 | L166 Q170 | L166-D168 VanDerWaalsContact CB-OD1 3.22Å; L166-D168 WeakPolarHBondContact CB-OD1 3.46Å; L166-D168 PolarHBondContact O-N 2.9Å; L166-D168 VanDerWaalsContact O-N 3.09Å; D168-Q170 WeakPolarHBondContact OD1-CB 3.32Å; D168-Q170 PolarHBondContact OD1-N 2.58Å; D168-Q170 PolarHBondContact OD2-NE2 3.39Å |
| 169 | G | 90.9 | Very high | 92.6 | Very high | 18 Ų | 18 | 43 Ų | 43 | 19% | 0.186 | 23% | 0.225 | C | C | . | . | S | Bend | trans | 98.5 | 2.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | L166 | L166-G169 PolarHBondContact O-N 2.87Š|
| 170 | Q | 93.3 | Very high | 92.6 | Very high | 120 Ų | 120 | 41 Ų | 41 | 56% | 0.561 | 22% | 0.215 | S | C | * | . | trans | -73.8 | 137.2 | 174.2 | -64.7 | -176.5 | 43.4 | 0 | 0 | 111.3 | F165 L166 D168 | F165-Q170 CarbonylContact C-O 3.58Å; F165-Q170 VanDerWaalsContact CA-O 3.3Å; F165-Q170 WeakPolarHBondContact CA-O 3.32Å; L166-Q170 HydrophobicContact CD1-CB 4.36Å; L166-Q170 PolarHBondContact N-O 2.91Å; D168-Q170 WeakPolarHBondContact OD1-CB 3.32Å; D168-Q170 PolarHBondContact OD1-N 2.58Å; D168-Q170 PolarHBondContact OD2-NE2 3.39Å | ||
| 171 | I | 93.7 | Very high | 92.6 | Very high | 65 Ų | 65 | 47.7 Ų | 47.7 | 33% | 0.333 | 25% | 0.246 | S | C | . | . | B | Isolated β-bridge | trans | -81.8 | 140.5 | 174.1 | -170.7 | 169 | 0 | 0 | 0 | 110.8 | H163 F165 E173 | H163-I171 HydrophobicContact CB-CD1 4.38Å; F165-I171 HydrophobicContact CD1-CB 3.92Å; F165-I171 HydrophobicContact CD1-CG1 4.4Å; F165-I171 HydrophobicContact CE1-CB 3.69Å; F165-I171 HydrophobicContact CE1-CD1 4.3Å; F165-I171 HydrophobicContact CE1-CG1 4.08Å; F165-I171 HydrophobicContact CZ-CB 4.41Å; F165-I171 HydrophobicContact CZ-CD1 4.18Å; F165-I171 HydrophobicContact CZ-CG1 4.33Å; I171-E173 HydrophobicContact CD1-CG 4.48Å; I171-E173 HydrophobicContact CG1-CG 4.31Å; I171-E173 HydrophobicContact CG2-CG 3.9Å |
| 172 | V | 94.3 | Very high | 92.5 | Very high | 30 Ų | 30 | 44.9 Ų | 44.9 | 18% | 0.182 | 23% | 0.232 | C | C | . | . | trans | -104.7 | 79.9 | 173.8 | -171.1 | 0 | 0 | 0 | 0 | 108.1 | R164 L166 D174 L175 C176 | R164-V172 PolarHBondContact O-N 3.26Å; L166-V172 HydrophobicContact CD1-CG2 4.21Å; L166-V172 HydrophobicContact CG-CG2 3.86Å; V172-D174 VanDerWaalsContact C-N 3.32Å; V172-D174 PolarHBondContact O-N 2.95Å; V172-L175 HydrophobicContact CG1-CB 4.02Å; V172-L175 HydrophobicContact CG1-CD1 3.87Å; V172-L175 HydrophobicContact CG1-CG 4.03Å; V172-L175 PolarHBondContact O-N 2.91Å; V172-L175 VanDerWaalsContact O-N 3.09Å; V172-C176 PolarHBondContact O-N 2.96Å; V172-C176 PolarHBondContact O-SG 2.76Å | ||
| 173 | E | 91.3 | Very high | 92.2 | Very high | 145 Ų | 145 | 46.3 Ų | 46.3 | 68% | 0.678 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -54.7 | -45.2 | -171.4 | -59.8 | -170.5 | 162.6 | 0 | 0 | 112.5 | I171 L175 C176 | I171-E173 HydrophobicContact CD1-CG 4.48Å; I171-E173 HydrophobicContact CG1-CG 4.31Å; I171-E173 HydrophobicContact CG2-CG 3.9Å; E173-L175 PolarHBondContact O-N 3.23Å; E173-C176 WeakPolarHBondContact O-CB 3.27Å; E173-C176 PolarHBondContact O-N 3.39Å |
| 174 | D | 92.6 | Very high | 91.9 | Very high | 137 Ų | 137 | 44.5 Ų | 44.5 | 73% | 0.733 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -54.2 | -22.6 | 179 | -56.4 | -13.3 | 0 | 0 | 0 | 114.7 | V172 | V172-D174 VanDerWaalsContact C-N 3.32Å; V172-D174 PolarHBondContact O-N 2.95Å |
| 175 | L | 92.9 | Very high | 91.6 | Very high | 20 Ų | 20 | 44.7 Ų | 44.7 | 11% | 0.105 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -114.4 | 8.4 | -176.6 | -65.9 | 178.6 | 0 | 0 | 0 | 113.3 | R164 V172 E173 H242 | R164-L175 VanDerWaalsContact CD-CB 3.47Å; V172-L175 HydrophobicContact CG1-CB 4.02Å; V172-L175 HydrophobicContact CG1-CD1 3.87Å; V172-L175 HydrophobicContact CG1-CG 4.03Å; V172-L175 PolarHBondContact O-N 2.91Å; V172-L175 VanDerWaalsContact O-N 3.09Å; E173-L175 PolarHBondContact O-N 3.23Å; L175-H242 HydrophobicContact CD2-CB 4.38Å |
| 176 | C | 93.8 | Very high | 91 | Very high | 25 Ų | 25 | 49.8 Ų | 49.8 | 17% | 0.169 | 26% | 0.261 | C | S | . | . | trans | -78 | 146.7 | 168.1 | -60.9 | 0 | 0 | 0 | 0 | 110 | V162 R164 V172 E173 P243 | V162-C176 WeakPolarHBondContact O-CA 3.3Å; R164-C176 PolarHBondContact N-SG 3.15Å; V172-C176 PolarHBondContact O-N 2.96Å; V172-C176 PolarHBondContact O-SG 2.76Å; E173-C176 WeakPolarHBondContact O-CB 3.27Å; E173-C176 PolarHBondContact O-N 3.39Å; C176-P243 WeakPolarHBondContact O-CG 3.39Å | ||
| 177 | W | 93.6 | Very high | 90.3 | Very high | 7 Ų | 7 | 48 Ų | 48 | 3% | 0.027 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 151.3 | -176.2 | 45.8 | -90.7 | 0 | 0 | 0 | 112.5 | L154 V162 V179 I182 L210 P243 L246 | L154-W177 HydrophobicContact CD2-CZ2 3.94Å; V162-W177 HydrophobicContact CB-CD2 3.89Å; V162-W177 HydrophobicContact CB-CE3 3.94Å; V162-W177 HydrophobicContact CB-CH2 4.05Å; V162-W177 HydrophobicContact CB-CZ2 3.96Å; V162-W177 HydrophobicContact CB-CZ3 4.02Å; V162-W177 HydrophobicContact CG1-CH2 4.2Å; V162-W177 HydrophobicContact CG1-CZ2 3.82Å; V162-W177 HydrophobicContact CG2-CD2 4.26Å; V162-W177 HydrophobicContact CG2-CE3 3.79Å; V162-W177 HydrophobicContact CG2-CH2 3.63Å; V162-W177 HydrophobicContact CG2-CZ2 4.07Å; V162-W177 HydrophobicContact CG2-CZ3 3.46Å; V162-W177 VanDerWaalsContact CG2-CZ3 3.46Å; V162-W177 PolarHBondContact N-O 3.08Å; V162-W177 PolarHBondContact O-N 3.43Å; V162-W177 VanDerWaalsContact O-N 3.12Å; W177-V179 HydrophobicContact CZ3-CG2 4.08Å; W177-I182 HydrophobicContact CE3-CD1 3.66Å; W177-I182 HydrophobicContact CE3-CG1 4.45Å; W177-I182 HydrophobicContact CH2-CD1 4.38Å; W177-I182 HydrophobicContact CZ3-CD1 3.55Å; W177-L210 HydrophobicContact CH2-CD1 4.22Å; W177-P243 HydrophobicContact CB-CB 3.99Å; W177-P243 HydrophobicContact CB-CG 4.07Å; W177-L246 HydrophobicContact CB-CD1 3.9Å; W177-L246 HydrophobicContact CD2-CD1 3.67Å; W177-L246 HydrophobicContact CE3-CD1 4.17Å; W177-L246 HydrophobicContact CG-CD1 3.56Å |
| 178 | S | 91 | Very high | 89.4 | Confident | 18 Ų | 18 | 52.6 Ų | 52.6 | 13% | 0.126 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 134 | 172.7 | 177.9 | 0 | 0 | 0 | 0 | 110.9 | G160 A180 Q181 | G160-S178 WeakPolarHBondContact O-CA 3.48Å; G160-S178 PolarHBondContact O-OG 3.49Å; S178-A180 PolarHBondContact O-N 2.91Å; S178-A180 PolarHBondContact OG-N 3.09Å; S178-Q181 PolarHBondContact O-N 3.07Å; S178-Q181 VanDerWaalsContact O-N 3.08Å |
| 179 | V | 90.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -55.1 | -36.6 | 175.2 | 178.9 | 0 | 0 | 0 | 0 | 111.3 | G160 V162 W177 Q181 I182 F184 L199 P208 L210 L226 | G160-V179 WeakPolarHBondContact O-CG2 3.42Å; G160-V179 PolarHBondContact O-N 3.37Å; V162-V179 HydrophobicContact CG2-CG2 4.28Å; W177-V179 HydrophobicContact CZ3-CG2 4.08Å; V179-Q181 PolarHBondContact O-N 3.07Å; V179-I182 PolarHBondContact O-N 3.07Å; V179-F184 HydrophobicContact CG1-CZ 4.48Å; V179-L199 HydrophobicContact CG1-CD1 4.45Å; V179-P208 HydrophobicContact CG1-CB 4.49Å; V179-P208 HydrophobicContact CG1-CG 4.45Å; V179-L210 HydrophobicContact CG1-CD2 4.2Å; V179-L210 HydrophobicContact CG2-CD2 3.6Å; V179-L210 HydrophobicContact CG2-CG 3.85Å; V179-L226 HydrophobicContact CG1-CD2 3.72Å |
| 180 | A | 86.4 | Confident | 87.3 | Confident | 6 Ų | 6 | 56.1 Ų | 56.1 | 5% | 0.05 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -67.2 | -21.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | S178 S200 L207 P208 | S178-A180 PolarHBondContact O-N 2.91Å; S178-A180 PolarHBondContact OG-N 3.09Å; A180-S200 PolarHBondContact O-N 2.94Å; A180-S200 VanDerWaalsContact O-N 3.13Å; A180-L207 HydrophobicContact CB-CD2 4.06Å; A180-P208 HydrophobicContact CB-CG 4.3Å |
| 181 | Q | 87.9 | Confident | 86 | Confident | 141 Ų | 141 | 51.9 Ų | 51.9 | 66% | 0.659 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -89.2 | -13.7 | -179.7 | -65.7 | 174.6 | -10.6 | 0 | 0 | 113.2 | S178 V179 | S178-Q181 PolarHBondContact O-N 3.07Å; S178-Q181 VanDerWaalsContact O-N 3.08Å; V179-Q181 PolarHBondContact O-N 3.07Å |
| 182 | I | 90 | Very high | 84.6 | Confident | 4 Ų | 4 | 56.6 Ų | 56.6 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -71.4 | 129.7 | -179.8 | -59.8 | 177.1 | 0 | 0 | 0 | 109.4 | W177 V179 F184 V234 L246 A248 | W177-I182 HydrophobicContact CE3-CD1 3.66Å; W177-I182 HydrophobicContact CE3-CG1 4.45Å; W177-I182 HydrophobicContact CH2-CD1 4.38Å; W177-I182 HydrophobicContact CZ3-CD1 3.55Å; V179-I182 PolarHBondContact O-N 3.07Å; I182-F184 HydrophobicContact CB-CD2 4.46Å; I182-F184 HydrophobicContact CB-CE2 3.95Å; I182-F184 HydrophobicContact CG2-CD2 4.45Å; I182-F184 HydrophobicContact CG2-CE2 4.2Å; I182-F184 WeakPolarHBondContact O-CD2 3.45Å; I182-F184 PolarHBondContact O-N 3.27Å; I182-V234 HydrophobicContact CD1-CG1 4.24Å; I182-V234 HydrophobicContact CD1-CG2 4.29Å; I182-L246 HydrophobicContact CD1-CD1 4.06Å; I182-L246 HydrophobicContact CG1-CB 4.28Å; I182-L246 HydrophobicContact CG1-CD1 4.14Å; I182-L246 HydrophobicContact CG2-CB 4.45Å; I182-A248 HydrophobicContact CG2-CB 3.69Å |
| 183 | P | 89.4 | Confident | 83.2 | Confident | 32 Ų | 32 | 60.7 Ų | 60.7 | 21% | 0.208 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 118.7 | 169.7 | 30.4 | -33.3 | 0 | 0 | 0 | 110.1 | F185 A196 L246 R247 A248 | P183-F185 HydrophobicContact CB-CE2 3.8Å; P183-F185 HydrophobicContact CB-CZ 3.82Å; P183-F185 HydrophobicContact CG-CE2 4.04Å; P183-F185 HydrophobicContact CG-CZ 4.34Å; P183-F185 WeakPolarHBondContact O-CE2 3.48Å; P183-A196 HydrophobicContact CB-CB 3.7Å; P183-L246 VanDerWaalsContact CD-O 3.31Å; P183-L246 WeakPolarHBondContact CD-O 3.49Å; P183-L246 WeakPolarHBondContact CG-O 3.3Å; P183-R247 HydrophobicContact CG-CG 4.41Å; P183-A248 PolarHBondContact O-N 2.65Å |
| 184 | F | 88.3 | Confident | 81.9 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 137.2 | 174.8 | -68.3 | -107.3 | 0 | 0 | 0 | 111.4 | V179 I182 A196 S197 L199 I224 L226 A232 A248 W250 | V179-F184 HydrophobicContact CG1-CZ 4.48Å; I182-F184 HydrophobicContact CB-CD2 4.46Å; I182-F184 HydrophobicContact CB-CE2 3.95Å; I182-F184 HydrophobicContact CG2-CD2 4.45Å; I182-F184 HydrophobicContact CG2-CE2 4.2Å; I182-F184 WeakPolarHBondContact O-CD2 3.45Å; I182-F184 PolarHBondContact O-N 3.27Å; F184-A196 CarbonylContact O-C 3.58Å; F184-A196 WeakPolarHBondContact O-CA 3.16Å; F184-S197 PolarHBondContact O-N 3.26Å; F184-S197 PolarHBondContact O-OG 3.13Å; F184-L199 HydrophobicContact CD2-CD1 4.03Å; F184-L199 HydrophobicContact CD2-CG 4.14Å; F184-L199 HydrophobicContact CE2-CD1 3.45Å; F184-L199 VanDerWaalsContact CE2-CD1 3.45Å; F184-L199 HydrophobicContact CE2-CG 4.03Å; F184-L199 HydrophobicContact CZ-CD1 3.88Å; F184-I224 HydrophobicContact CE1-CD1 4.17Å; F184-I224 HydrophobicContact CZ-CD1 4.22Å; F184-L226 HydrophobicContact CE1-CD1 4.37Å; F184-L226 HydrophobicContact CZ-CD1 4.32Å; F184-A232 HydrophobicContact CD1-CB 4.1Å; F184-A232 HydrophobicContact CE1-CB 3.82Å; F184-A248 CarbonylContact C-O 3.5Å; F184-A248 WeakPolarHBondContact CA-O 3.34Å; F184-A248 HydrophobicContact CB-CB 4.3Å; F184-A248 HydrophobicContact CD1-CB 3.25Å; F184-A248 HydrophobicContact CD2-CB 4.19Å; F184-A248 HydrophobicContact CE1-CB 3.45Å; F184-A248 VanDerWaalsContact CE1-CB 3.45Å; F184-A248 HydrophobicContact CE2-CB 4.33Å; F184-A248 HydrophobicContact CG-CB 3.65Å; F184-A248 HydrophobicContact CZ-CB 3.98Å; F184-W250 HydrophobicContact CB-CD2 4.37Å; F184-W250 HydrophobicContact CB-CZ2 3.81Å; F184-W250 AromaticContact CD1-CD2 3.77Å; F184-W250 HydrophobicContact CD1-CD2 3.77Å; F184-W250 AromaticContact CD1-CE2 3.49Å; F184-W250 VanDerWaalsContact CD1-CE2 3.49Å; F184-W250 AromaticContact CD1-CE3 3.91Å; F184-W250 HydrophobicContact CD1-CE3 3.91Å; F184-W250 AromaticContact CD1-CH2 3.5Å; F184-W250 HydrophobicContact CD1-CH2 3.5Å; F184-W250 VanDerWaalsContact CD1-CH2 3.5Å; F184-W250 AromaticContact CD1-CZ2 3.36Å; F184-W250 HydrophobicContact CD1-CZ2 3.36Å; F184-W250 AromaticContact CD1-CZ3 3.77Å; F184-W250 HydrophobicContact CD1-CZ3 3.77Å; F184-W250 HydrophobicContact CD2-CZ2 4.29Å; F184-W250 HydrophobicContact CE1-CE3 4.29Å; F184-W250 AromaticContact CE1-CH2 3.61Å; F184-W250 HydrophobicContact CE1-CH2 3.61Å; F184-W250 AromaticContact CE1-CZ2 3.97Å; F184-W250 HydrophobicContact CE1-CZ2 3.97Å; F184-W250 AromaticContact CE1-CZ3 3.79Å; F184-W250 HydrophobicContact CE1-CZ3 3.79Å; F184-W250 HydrophobicContact CG-CD2 4.45Å; F184-W250 AromaticContact CG-CE2 3.76Å; F184-W250 HydrophobicContact CG-CH2 4.11Å; F184-W250 AromaticContact CG-CZ2 3.57Å; F184-W250 HydrophobicContact CG-CZ2 3.57Å; F184-W250 HydrophobicContact CZ-CH2 4.31Å |
| 185 | F | 88 | Confident | 80.3 | Confident | 8 Ų | 8 | 59.9 Ų | 59.9 | 4% | 0.035 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 164.3 | -179.6 | -55.1 | -80.6 | 0 | 0 | 0 | 111 | P183 A196 R247 A248 I249 W250 | P183-F185 HydrophobicContact CB-CE2 3.8Å; P183-F185 HydrophobicContact CB-CZ 3.82Å; P183-F185 HydrophobicContact CG-CE2 4.04Å; P183-F185 HydrophobicContact CG-CZ 4.34Å; P183-F185 WeakPolarHBondContact O-CE2 3.48Å; F185-A196 HydrophobicContact CD1-CB 4.28Å; F185-A196 HydrophobicContact CE1-CB 3.6Å; F185-A196 HydrophobicContact CZ-CB 3.87Å; F185-R247 HydrophobicContact CD2-CB 4.39Å; F185-R247 HydrophobicContact CE2-CB 4.1Å; F185-R247 HydrophobicContact CE2-CG 4.14Å; F185-A248 PolarHBondContact N-O 2.9Å; F185-I249 WeakPolarHBondContact O-CA 3.4Å; F185-W250 PolarHBondContact O-N 3.03Å |
| 186 | N | 82.7 | Confident | 78.8 | Confident | 114 Ų | 114 | 59.8 Ų | 59.8 | 61% | 0.61 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -87 | -29.4 | 173.6 | -65 | -26.7 | 0 | 0 | 0 | 112.8 | ||
| 187 | D | 80.2 | Confident | 77.3 | Confident | 19 Ų | 19 | 61.3 Ų | 61.3 | 10% | 0.102 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -150.7 | 169.6 | 176.2 | 69.8 | 66.6 | 0 | 0 | 0 | 110.8 | T189 Q190 A289 | D187-T189 WeakPolarHBondContact OD1-CA 3.27Å; D187-T189 WeakPolarHBondContact OD1-CB 3.38Å; D187-T189 PolarHBondContact OD1-N 3.31Å; D187-T189 PolarHBondContact OD1-OG1 3.09Å; D187-Q190 PolarHBondContact OD1-N 3.14Å; D187-Q190 WeakPolarHBondContact OD2-CG 3.35Å; D187-Q190 PolarHBondContact OD2-NE2 3.04Å; D187-A289 HydrophobicContact CB-CB 3.83Å |
| 188 | Q | 75.6 | Confident | 75.7 | Confident | 111 Ų | 111 | 62.7 Ų | 62.7 | 52% | 0.519 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -78.1 | -29.7 | -176.3 | -162 | 177.3 | 18.2 | 0 | 0 | 112.8 | Q190 S191 I249 T287 | Q188-Q190 VanDerWaalsContact C-N 3.29Å; Q188-Q190 PolarHBondContact O-N 3.12Å; Q188-S191 WeakPolarHBondContact O-CB 3.43Å; Q188-S191 PolarHBondContact O-N 3.5Å; Q188-S191 PolarHBondContact O-OG 3.13Å; Q188-I249 HydrophobicContact CB-CD1 4.13Å; Q188-T287 PolarHBondContact N-O 3.04Å |
| 189 | T | 71 | Confident | 74.3 | Confident | 94 Ų | 94 | 63.2 Ų | 63.2 | 58% | 0.577 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -31.1 | 178.7 | 70.9 | 0 | 0 | 0 | 0 | 112.6 | D187 S191 | D187-T189 WeakPolarHBondContact OD1-CA 3.27Å; D187-T189 WeakPolarHBondContact OD1-CB 3.38Å; D187-T189 PolarHBondContact OD1-N 3.31Å; D187-T189 PolarHBondContact OD1-OG1 3.09Å; T189-S191 VanDerWaalsContact C-N 3.31Å; T189-S191 PolarHBondContact O-N 3.28Å |
| 190 | Q | 66.8 | Low | 72.8 | Confident | 83 Ų | 83 | 66.6 Ų | 66.6 | 39% | 0.388 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 13.5 | 176.9 | -65.8 | -172.8 | 61.6 | 0 | 0 | 113.6 | D187 Q188 R192 | D187-Q190 PolarHBondContact OD1-N 3.14Å; D187-Q190 WeakPolarHBondContact OD2-CG 3.35Å; D187-Q190 PolarHBondContact OD2-NE2 3.04Å; Q188-Q190 VanDerWaalsContact C-N 3.29Å; Q188-Q190 PolarHBondContact O-N 3.12Å; Q190-R192 PolarHBondContact O-N 3.18Å |
| 191 | S | 64.9 | Low | 71.3 | Confident | 30 Ų | 30 | 72.4 Ų | 72.4 | 21% | 0.21 | 38% | 0.379 | C | S | . | . | trans | -67.1 | 23.2 | -178 | 65.1 | 0 | 0 | 0 | 0 | 116.6 | Q188 T189 R247 | Q188-S191 WeakPolarHBondContact O-CB 3.43Å; Q188-S191 PolarHBondContact O-N 3.5Å; Q188-S191 PolarHBondContact O-OG 3.13Å; T189-S191 VanDerWaalsContact C-N 3.31Å; T189-S191 PolarHBondContact O-N 3.28Å; S191-R247 PolarHBondContact OG-NH1 3.31Å | ||
| 192 | R | 65.3 | Low | 69.8 | Low | 164 Ų | 164 | 70.6 Ų | 70.6 | 62% | 0.619 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -76.6 | 135.5 | 168.6 | -62.9 | -175.8 | 179.1 | -172 | -0.2 | 109.2 | Q190 Q194 Y195 | Q190-R192 PolarHBondContact O-N 3.18Å; R192-Q194 HydrophobicContact CB-CG 4.23Å; R192-Q194 PolarHBondContact O-N 3.34Å; R192-Y195 HydrophobicContact CB-CD2 4.09Å; R192-Y195 HydrophobicContact CB-CE2 4.43Å; R192-Y195 PolarHBondContact O-N 2.99Å |
| 193 | P | 64.6 | Low | 68.1 | Low | 116 Ų | 116 | 76.8 Ų | 76.8 | 75% | 0.753 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -58.5 | -24.8 | -171.4 | 21.3 | -33.4 | 0 | 0 | 0 | 114.5 | Y195 A196 | P193-Y195 PolarHBondContact O-N 3.33Å; P193-A196 WeakPolarHBondContact O-CB 3.12Å; P193-A196 PolarHBondContact O-N 3.47Å; P193-A196 VanDerWaalsContact O-N 3.13Å |
| 194 | Q | 63.2 | Low | 66.5 | Low | 135 Ų | 135 | 79.3 Ų | 79.3 | 63% | 0.631 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -63.7 | -17 | 174.8 | 72.1 | -170 | 31.9 | 0 | 0 | 115 | R192 | R192-Q194 HydrophobicContact CB-CG 4.23Å; R192-Q194 PolarHBondContact O-N 3.34Å |
| 195 | Y | 59.6 | Low | 65.3 | Low | 130 Ų | 130 | 88.4 Ų | 88.4 | 51% | 0.51 | 47% | 0.471 | S | S | . | . | G | 310 helix | trans | -106.7 | 2.5 | 176 | -56.8 | -62.9 | 0 | 0 | 0 | 112.9 | R192 P193 S197 | R192-Y195 HydrophobicContact CB-CD2 4.09Å; R192-Y195 HydrophobicContact CB-CE2 4.43Å; R192-Y195 PolarHBondContact O-N 2.99Å; P193-Y195 PolarHBondContact O-N 3.33Å; Y195-S197 PolarHBondContact O-N 3.05Å |
| 196 | A | 62.1 | Low | 64.5 | Low | 19 Ų | 19 | 92.6 Ų | 92.6 | 16% | 0.157 | 50% | 0.5 | C | S | . | . | trans | -72.9 | 123.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | P183 F184 F185 P193 C198 | P183-A196 HydrophobicContact CB-CB 3.7Å; F184-A196 CarbonylContact O-C 3.58Å; F184-A196 WeakPolarHBondContact O-CA 3.16Å; F185-A196 HydrophobicContact CD1-CB 4.28Å; F185-A196 HydrophobicContact CE1-CB 3.6Å; F185-A196 HydrophobicContact CZ-CB 3.87Å; P193-A196 WeakPolarHBondContact O-CB 3.12Å; P193-A196 PolarHBondContact O-N 3.47Å; P193-A196 VanDerWaalsContact O-N 3.13Å; A196-C198 VanDerWaalsContact C-N 3.29Å; A196-C198 PolarHBondContact O-N 2.88Å; A196-C198 VanDerWaalsContact O-N 3.08Å | ||
| 197 | S | 62.6 | Low | 64.5 | Low | 56 Ų | 56 | 91 Ų | 91 | 39% | 0.392 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 81.7 | 162.3 | 64 | 0 | 0 | 0 | 0 | 108.8 | F184 Y195 L199 W250 | F184-S197 PolarHBondContact O-N 3.26Å; F184-S197 PolarHBondContact O-OG 3.13Å; Y195-S197 PolarHBondContact O-N 3.05Å; S197-L199 PolarHBondContact O-N 3.33Å; S197-W250 PolarHBondContact OG-NE1 3.47Å |
| 198 | C | 59.8 | Low | 64.9 | Low | 37 Ų | 37 | 90.9 Ų | 90.9 | 25% | 0.25 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 119.4 | 171.2 | -63.5 | 0 | 0 | 0 | 0 | 109.3 | A196 S200 N201 | A196-C198 VanDerWaalsContact C-N 3.29Å; A196-C198 PolarHBondContact O-N 2.88Å; A196-C198 VanDerWaalsContact O-N 3.08Å; C198-S200 PolarHBondContact O-N 3.16Å; C198-N201 PolarHBondContact O-N 2.94Å; C198-N201 VanDerWaalsContact O-N 3.16Å |
| 199 | L | 61.6 | Low | 65.7 | Low | 29 Ų | 29 | 87.4 Ų | 87.4 | 15% | 0.152 | 47% | 0.473 | C | S | . | . | G | 310 helix | trans | -63.8 | -25.2 | -178.6 | -66.6 | 172 | 0 | 0 | 0 | 112 | V179 F184 S197 N201 L202 P208 L226 W250 | V179-L199 HydrophobicContact CG1-CD1 4.45Å; F184-L199 HydrophobicContact CD2-CD1 4.03Å; F184-L199 HydrophobicContact CD2-CG 4.14Å; F184-L199 HydrophobicContact CE2-CD1 3.45Å; F184-L199 VanDerWaalsContact CE2-CD1 3.45Å; F184-L199 HydrophobicContact CE2-CG 4.03Å; F184-L199 HydrophobicContact CZ-CD1 3.88Å; S197-L199 PolarHBondContact O-N 3.33Å; L199-N201 PolarHBondContact O-N 3.33Å; L199-L202 HydrophobicContact CD2-CD1 4.34Å; L199-L202 PolarHBondContact O-N 2.91Å; L199-L202 VanDerWaalsContact O-N 3.12Å; L199-P208 HydrophobicContact CB-CG 4.11Å; L199-P208 HydrophobicContact CD1-CB 4.19Å; L199-P208 HydrophobicContact CD1-CG 3.81Å; L199-L226 HydrophobicContact CD1-CD1 4.19Å; L199-W250 HydrophobicContact CD2-CZ2 4.43Å |
| 200 | S | 58.4 | Low | 66.9 | Low | 70 Ų | 70 | 83 Ų | 83 | 49% | 0.49 | 45% | 0.446 | S | S | . | . | G | 310 helix | trans | -52.3 | -20.2 | 171 | 64 | 0 | 0 | 0 | 0 | 115.7 | A180 C198 | A180-S200 PolarHBondContact O-N 2.94Å; A180-S200 VanDerWaalsContact O-N 3.13Å; C198-S200 PolarHBondContact O-N 3.16Å |
| 201 | N | 55.4 | Low | 68.2 | Low | 129 Ų | 129 | 81.7 Ų | 81.7 | 69% | 0.69 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -89.9 | -1.1 | -176.8 | -63.1 | -10.7 | 0 | 0 | 0 | 113.2 | C198 L199 | C198-N201 PolarHBondContact O-N 2.94Å; C198-N201 VanDerWaalsContact O-N 3.16Å; L199-N201 PolarHBondContact O-N 3.33Å |
| 202 | L | 56.4 | Low | 69.7 | Low | 103 Ų | 103 | 81.6 Ų | 81.6 | 54% | 0.539 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -97.8 | 124.4 | 172.9 | -76.3 | 133.4 | 0 | 0 | 0 | 109.7 | L199 T204 | L199-L202 HydrophobicContact CD2-CD1 4.34Å; L199-L202 PolarHBondContact O-N 2.91Å; L199-L202 VanDerWaalsContact O-N 3.12Å; L202-T204 PolarHBondContact O-N 3.14Å |
| 203 | P | 53.3 | Low | 71.2 | Confident | 134 Ų | 134 | 74.3 Ų | 74.3 | 87% | 0.87 | 41% | 0.412 | S | S | * | . | trans | -81.2 | 53.5 | -178.6 | 35.5 | -37.2 | 0 | 0 | 0 | 111.5 | ||||
| 204 | T | 56.5 | Low | 72.7 | Confident | 85 Ų | 85 | 70 Ų | 70 | 52% | 0.521 | 38% | 0.384 | S | S | . | . | trans | -111.4 | 101.2 | 177.8 | 49.6 | 0 | 0 | 0 | 0 | 109.3 | L202 P206 | L202-T204 PolarHBondContact O-N 3.14Å; T204-P206 CarbonylContact O-C 3.45Å | ||
| 205 | E | 64.3 | Low | 74.1 | Confident | 190 Ų | 190 | 67.1 Ų | 67.1 | 89% | 0.888 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -81 | 140.8 | 150.3 | -72.2 | -163.8 | 172.2 | 0 | 0 | 108.8 | ||
| 206 | P | 71.2 | Confident | 75.6 | Confident | 97 Ų | 97 | 61 Ų | 61 | 63% | 0.63 | 34% | 0.344 | S | S | * | . | S | Bend | cis | -71.6 | 154.6 | -1.3 | 31.9 | -36.4 | 0 | 0 | 0 | 113.1 | T204 | T204-P206 CarbonylContact O-C 3.45Š|
| 207 | L | 81.7 | Confident | 76.8 | Confident | 79 Ų | 79 | 63 Ų | 63 | 41% | 0.414 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 148.7 | 174.1 | -71.3 | 170.5 | 0 | 0 | 0 | 111.4 | D159 A180 Y209 | D159-L207 WeakPolarHBondContact O-CB 3.36Å; D159-L207 WeakPolarHBondContact O-CD1 3.36Å; A180-L207 HydrophobicContact CB-CD2 4.06Å; L207-Y209 PolarHBondContact O-N 3.13Å |
| 208 | P | 88 | Confident | 77.9 | Confident | 17 Ų | 17 | 62.7 Ų | 62.7 | 11% | 0.11 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 135.1 | 177.5 | 27.7 | -35.2 | 0 | 0 | 0 | 110.9 | G160 V179 A180 L199 | G160-P208 VanDerWaalsContact CA-O 3.28Å; G160-P208 WeakPolarHBondContact CA-O 3.31Å; V179-P208 HydrophobicContact CG1-CB 4.49Å; V179-P208 HydrophobicContact CG1-CG 4.45Å; A180-P208 HydrophobicContact CB-CG 4.3Å; L199-P208 HydrophobicContact CB-CG 4.11Å; L199-P208 HydrophobicContact CD1-CB 4.19Å; L199-P208 HydrophobicContact CD1-CG 3.81Å |
| 209 | Y | 92.4 | Very high | 79.2 | Confident | 39 Ų | 39 | 61.5 Ų | 61.5 | 15% | 0.153 | 34% | 0.34 | C | S | . | . | trans | -129.6 | 163.7 | -178.4 | 62.5 | -85.7 | 0 | 0 | 0 | 111.8 | T144 H157 R158 L207 L211 L226 D227 | T144-Y209 HydrophobicContact CG2-CD2 3.74Å; T144-Y209 HydrophobicContact CG2-CE2 4.16Å; H157-Y209 WeakPolarHBondContact O-CB 3.23Å; R158-Y209 HydrophobicContact CG-CD1 4.12Å; R158-Y209 HydrophobicContact CG-CD2 4.31Å; R158-Y209 HydrophobicContact CG-CE1 4.07Å; R158-Y209 HydrophobicContact CG-CE2 4.21Å; R158-Y209 HydrophobicContact CG-CG 4.26Å; L207-Y209 PolarHBondContact O-N 3.13Å; Y209-L211 HydrophobicContact CE2-CD2 3.91Å; Y209-L226 WeakPolarHBondContact O-CA 3.16Å; Y209-D227 HydrophobicContact CD1-CB 3.73Å; Y209-D227 HydrophobicContact CD2-CB 4.02Å; Y209-D227 HydrophobicContact CE1-CB 3.33Å; Y209-D227 WeakPolarHBondContact CE1-OD2 3.07Å; Y209-D227 HydrophobicContact CE2-CB 3.71Å; Y209-D227 HydrophobicContact CG-CB 4.05Å; Y209-D227 PolarHBondContact N-OD1 2.82Å; Y209-D227 PolarHBondContact O-N 2.72Å | ||
| 210 | L | 95.9 | Very high | 80.4 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 131.6 | -179.1 | -50.1 | -172.5 | 0 | 0 | 0 | 110.6 | T144 C145 S156 V162 W177 V179 I213 I224 V225 L226 | T144-L210 WeakPolarHBondContact CB-O 3.19Å; T144-L210 PolarHBondContact OG1-O 2.86Å; C145-L210 VanDerWaalsContact SG-CB 3.58Å; S156-L210 WeakPolarHBondContact OG-CB 3.48Å; S156-L210 WeakPolarHBondContact OG-CG 3.18Å; V162-L210 HydrophobicContact CG2-CD1 3.9Å; V162-L210 HydrophobicContact CG2-CG 4.45Å; W177-L210 HydrophobicContact CH2-CD1 4.22Å; V179-L210 HydrophobicContact CG1-CD2 4.2Å; V179-L210 HydrophobicContact CG2-CD2 3.6Å; V179-L210 HydrophobicContact CG2-CG 3.85Å; L210-I213 HydrophobicContact CD1-CB 4.31Å; L210-I213 HydrophobicContact CD1-CD1 3.94Å; L210-I224 HydrophobicContact CD1-CG2 4.06Å; L210-I224 HydrophobicContact CD2-CB 4.08Å; L210-I224 HydrophobicContact CD2-CD1 4.11Å; L210-I224 HydrophobicContact CD2-CG2 4.23Å; L210-V225 CarbonylContact C-O 3.59Å; L210-V225 WeakPolarHBondContact CA-O 3.47Å; L210-L226 HydrophobicContact CD2-CD2 3.52Å |
| 211 | L | 95.1 | Very high | 82 | Confident | 57 Ų | 57 | 58.5 Ų | 58.5 | 30% | 0.298 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | -40.4 | 166.5 | -65.3 | -179.4 | 0 | 0 | 0 | 111.4 | Y209 V225 L226 D227 | Y209-L211 HydrophobicContact CE2-CD2 3.91Å; L211-V225 HydrophobicContact CB-CB 4.47Å; L211-V225 HydrophobicContact CB-CG1 4.17Å; L211-V225 HydrophobicContact CD1-CG1 4.2Å; L211-V225 PolarHBondContact N-O 3.2Å; L211-L226 WeakPolarHBondContact CD1-O 3.18Å; L211-D227 HydrophobicContact CD2-CB 4.44Å |
| 212 | D | 96.4 | Very high | 83.9 | Confident | 28 Ų | 28 | 52.4 Ų | 52.4 | 15% | 0.15 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 153.1 | -178.1 | -162.7 | 19.5 | 0 | 0 | 0 | 111.2 | V225 C259 C260 | D212-V225 HydrophobicContact CB-CB 4.32Å; D212-V225 HydrophobicContact CB-CG2 4.46Å; D212-V225 PolarHBondContact O-N 2.85Å; D212-C259 WeakPolarHBondContact OD2-CA 3.23Å; D212-C259 WeakPolarHBondContact OD2-CB 3.35Å; D212-C260 PolarHBondContact OD2-N 3.43Å |
| 213 | I | 96.5 | Very high | 85.8 | Confident | 10 Ų | 10 | 47.5 Ų | 47.5 | 5% | 0.051 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 130.5 | -177.6 | -175.8 | 170.1 | 0 | 0 | 0 | 111.4 | C145 V147 L210 F222 L223 I224 | C145-I213 HydrophobicContact CB-CG2 4.04Å; C145-I213 VanDerWaalsContact SG-CG2 3.55Å; V147-I213 HydrophobicContact CB-CG1 4.49Å; V147-I213 HydrophobicContact CB-CG2 4.06Å; V147-I213 HydrophobicContact CG1-CD1 3.81Å; V147-I213 HydrophobicContact CG1-CG1 3.95Å; V147-I213 HydrophobicContact CG1-CG2 4Å; L210-I213 HydrophobicContact CD1-CB 4.31Å; L210-I213 HydrophobicContact CD1-CD1 3.94Å; I213-F222 HydrophobicContact CD1-CB 4.17Å; I213-F222 HydrophobicContact CD1-CD1 3.95Å; I213-F222 HydrophobicContact CD1-CG 4.19Å; I213-F222 HydrophobicContact CG1-CB 4.14Å; I213-F222 HydrophobicContact CG1-CD1 4.19Å; I213-L223 CarbonylContact C-O 3.35Å; I213-L223 VanDerWaalsContact CA-O 3.32Å; I213-L223 WeakPolarHBondContact CA-O 3.16Å; I213-I224 HydrophobicContact CB-CG2 4.49Å; I213-I224 HydrophobicContact CD1-CG2 4.15Å; I213-I224 HydrophobicContact CG1-CG2 4.03Å |
| 214 | C | 95.4 | Very high | 87.9 | Confident | 26 Ų | 26 | 41.1 Ų | 41.1 | 18% | 0.176 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 124.2 | 179.1 | -180 | 0 | 0 | 0 | 0 | 110.4 | F222 L223 | C214-F222 CarbonylContact O-C 3.54Å; C214-F222 WeakPolarHBondContact O-CA 3.26Å; C214-L223 HydrophobicContact CB-CB 4.29Å; C214-L223 PolarHBondContact N-O 3.29Å; C214-L223 PolarHBondContact O-N 3.18Å |
| 215 | Y | 93.8 | Very high | 89.9 | Confident | 75 Ų | 75 | 37 Ų | 37 | 29% | 0.294 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 137.2 | 177.3 | 175.1 | -113.4 | 0 | 0 | 0 | 111.3 | L149 G221 F222 F241 | L149-Y215 HydrophobicContact CD2-CD1 3.98Å; L149-Y215 HydrophobicContact CD2-CD2 3.88Å; L149-Y215 HydrophobicContact CD2-CE1 4.08Å; L149-Y215 HydrophobicContact CD2-CE2 3.99Å; L149-Y215 HydrophobicContact CD2-CG 3.89Å; Y215-G221 WeakPolarHBondContact CD2-O 3.17Å; Y215-F222 AromaticContact CD2-CD1 3.79Å; Y215-F222 HydrophobicContact CD2-CD1 3.79Å; Y215-F222 AromaticContact CD2-CE1 3.6Å; Y215-F222 HydrophobicContact CD2-CE1 3.6Å; Y215-F222 HydrophobicContact CD2-CG 4.41Å; Y215-F222 HydrophobicContact CD2-CZ 4.08Å; Y215-F222 HydrophobicContact CG-CD1 4.26Å; Y215-F222 HydrophobicContact CG-CE1 4.06Å; Y215-F241 AromaticContact CE2-CE2 3.82Å; Y215-F241 HydrophobicContact CE2-CE2 3.82Å; Y215-F241 AromaticContact CE2-CZ 3.86Å; Y215-F241 HydrophobicContact CE2-CZ 3.86Å |
| 216 | S | 91.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 109.7 | 177 | 179.9 | 0 | 0 | 0 | 0 | 111.3 | F218 L219 G220 G221 H264 | S216-F218 VanDerWaalsContact C-N 3.35Å; S216-F218 PolarHBondContact O-N 3.25Å; S216-L219 PolarHBondContact O-N 2.94Å; S216-L219 VanDerWaalsContact OG-CG 3.3Å; S216-L219 WeakPolarHBondContact OG-CG 3.25Å; S216-L219 PolarHBondContact OG-N 3.35Å; S216-G220 PolarHBondContact O-N 3.39Å; S216-G220 VanDerWaalsContact O-N 3.08Å; S216-G221 PolarHBondContact N-O 3.45Å; S216-G221 PolarHBondContact O-N 3.49Å; S216-G221 VanDerWaalsContact O-N 3.14Å; S216-H264 PolarHBondContact OG-CE1 2.89Å; S216-H264 PolarHBondContact OG-ND1 3.02Å |
| 217 | S | 86.5 | Confident | 92.4 | Very high | 63 Ų | 63 | 26 Ų | 26 | 44% | 0.441 | 15% | 0.145 | S | C | . | . | G | 310 helix | trans | -61.6 | -39.7 | 176.9 | 52.7 | 0 | 0 | 0 | 0 | 112.6 | L219 G220 | S217-L219 VanDerWaalsContact C-N 3.31Å; S217-L219 PolarHBondContact O-N 3.42Å; S217-G220 PolarHBondContact O-N 3Å; S217-G220 VanDerWaalsContact O-N 3.11Å |
| 218 | F | 85.3 | Confident | 92.9 | Very high | 49 Ų | 49 | 25.4 Ų | 25.4 | 22% | 0.215 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -80.4 | -10.4 | -178.7 | -61 | 1.7 | 0 | 0 | 0 | 113.6 | S216 H264 H587 F589 | S216-F218 VanDerWaalsContact C-N 3.35Å; S216-F218 PolarHBondContact O-N 3.25Å; F218-H264 HydrophobicContact CB-CB 4.26Å; F218-H264 HydrophobicContact CD2-CB 3.58Å; F218-H264 WeakPolarHBondContact CD2-O 3.45Å; F218-H264 HydrophobicContact CE2-CB 4.02Å; F218-H264 HydrophobicContact CG-CB 4.05Å; F218-H587 HydrophobicContact CD1-CB 4.28Å; F218-H587 HydrophobicContact CD2-CB 4.38Å; F218-H587 HydrophobicContact CE1-CB 4.19Å; F218-H587 AromaticContact CE1-CD2 3.86Å; F218-H587 AromaticContact CE1-CG 3.64Å; F218-H587 AromaticContact CE1-ND1 3.82Å; F218-H587 HydrophobicContact CE2-CB 4.32Å; F218-H587 AromaticContact CE2-ND1 3.91Å; F218-H587 HydrophobicContact CG-CB 4.42Å; F218-H587 HydrophobicContact CZ-CB 4.25Å; F218-H587 AromaticContact CZ-CE1 3.86Å; F218-H587 AromaticContact CZ-CG 3.66Å; F218-H587 AromaticContact CZ-ND1 3.38Å; F218-H587 WeakPolarHBondContact CZ-ND1 3.43Å; F218-F589 HydrophobicContact CE2-CB 3.88Å; F218-F589 HydrophobicContact CZ-CB 4.17Å; F218-F589 HydrophobicContact CZ-CD2 4.11Å |
| 219 | L | 87.7 | Confident | 93.2 | Very high | 12 Ų | 12 | 24.9 Ų | 24.9 | 6% | 0.063 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -96.8 | -5.2 | 165.5 | -61.2 | 174.2 | 0 | 0 | 0 | 112.2 | S216 S217 G221 L223 L233 A262 R267 M269 I283 | S216-L219 PolarHBondContact O-N 2.94Å; S216-L219 VanDerWaalsContact OG-CG 3.3Å; S216-L219 WeakPolarHBondContact OG-CG 3.25Å; S216-L219 PolarHBondContact OG-N 3.35Å; S217-L219 VanDerWaalsContact C-N 3.31Å; S217-L219 PolarHBondContact O-N 3.42Å; L219-G221 PolarHBondContact O-N 3.43Å; L219-L223 HydrophobicContact CD1-CD2 4.14Å; L219-L233 HydrophobicContact CB-CD1 4.3Å; L219-A262 HydrophobicContact CD1-CB 4.18Å; L219-R267 HydrophobicContact CD2-CB 3.8Å; L219-R267 HydrophobicContact CD2-CG 4.38Å; L219-M269 HydrophobicContact CD1-CG 3.58Å; L219-M269 HydrophobicContact CD1-SD 4.2Å; L219-I283 HydrophobicContact CD2-CD1 3.83Å; L219-I283 HydrophobicContact CD2-CG1 4.38Å |
| 220 | G | 86.1 | Confident | 93.3 | Very high | 36 Ų | 36 | 28.2 Ų | 28.2 | 37% | 0.371 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.2 | 27.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | S216 S217 | S216-G220 PolarHBondContact O-N 3.39Å; S216-G220 VanDerWaalsContact O-N 3.08Å; S217-G220 PolarHBondContact O-N 3Å; S217-G220 VanDerWaalsContact O-N 3.11Å |
| 221 | G | 92.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.4 | -169.1 | -168.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | Y215 S216 L219 V234 | Y215-G221 WeakPolarHBondContact CD2-O 3.17Å; S216-G221 PolarHBondContact N-O 3.45Å; S216-G221 PolarHBondContact O-N 3.49Å; S216-G221 VanDerWaalsContact O-N 3.14Å; L219-G221 PolarHBondContact O-N 3.43Å; G221-V234 CarbonylContact C-O 3.56Å; G221-V234 WeakPolarHBondContact CA-O 3.49Å |
| 222 | F | 95.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 127.4 | 176.5 | -54.6 | -86.3 | 0 | 0 | 0 | 110.3 | V147 L149 L154 I213 C214 Y215 I224 L233 V234 F241 | V147-F222 HydrophobicContact CG1-CD1 4.18Å; V147-F222 HydrophobicContact CG1-CE1 4.04Å; L149-F222 HydrophobicContact CD1-CZ 4.47Å; L149-F222 HydrophobicContact CD2-CE1 3.97Å; L149-F222 HydrophobicContact CD2-CZ 3.96Å; L154-F222 HydrophobicContact CD1-CE1 4.42Å; L154-F222 HydrophobicContact CD1-CZ 4.35Å; L154-F222 HydrophobicContact CD2-CE1 4.37Å; L154-F222 HydrophobicContact CD2-CZ 4.06Å; I213-F222 HydrophobicContact CD1-CB 4.17Å; I213-F222 HydrophobicContact CD1-CD1 3.95Å; I213-F222 HydrophobicContact CD1-CG 4.19Å; I213-F222 HydrophobicContact CG1-CB 4.14Å; I213-F222 HydrophobicContact CG1-CD1 4.19Å; C214-F222 CarbonylContact O-C 3.54Å; C214-F222 WeakPolarHBondContact O-CA 3.26Å; Y215-F222 AromaticContact CD2-CD1 3.79Å; Y215-F222 HydrophobicContact CD2-CD1 3.79Å; Y215-F222 AromaticContact CD2-CE1 3.6Å; Y215-F222 HydrophobicContact CD2-CE1 3.6Å; Y215-F222 HydrophobicContact CD2-CG 4.41Å; Y215-F222 HydrophobicContact CD2-CZ 4.08Å; Y215-F222 HydrophobicContact CG-CD1 4.26Å; Y215-F222 HydrophobicContact CG-CE1 4.06Å; F222-I224 HydrophobicContact CB-CG2 4.33Å; F222-L233 CarbonylContact O-C 3.59Å; F222-L233 WeakPolarHBondContact O-CA 3.41Å; F222-V234 HydrophobicContact CB-CB 4.44Å; F222-V234 PolarHBondContact N-O 2.92Å; F222-V234 PolarHBondContact O-N 3.09Å; F222-F241 HydrophobicContact CD2-CD1 4.22Å; F222-F241 HydrophobicContact CD2-CE1 4.31Å; F222-F241 HydrophobicContact CE2-CB 4.2Å; F222-F241 AromaticContact CE2-CD1 3.65Å; F222-F241 HydrophobicContact CE2-CD1 3.65Å; F222-F241 AromaticContact CE2-CD2 3.93Å; F222-F241 HydrophobicContact CE2-CD2 3.93Å; F222-F241 AromaticContact CE2-CE1 3.97Å; F222-F241 HydrophobicContact CE2-CE1 3.97Å; F222-F241 HydrophobicContact CE2-CE2 4.23Å; F222-F241 AromaticContact CE2-CG 3.64Å; F222-F241 HydrophobicContact CE2-CG 3.64Å; F222-F241 HydrophobicContact CE2-CZ 4.25Å; F222-F241 HydrophobicContact CZ-CD2 4.14Å; F222-F241 HydrophobicContact CZ-CE2 4.38Å; F222-F241 HydrophobicContact CZ-CG 4.27Å |
| 223 | L | 96.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 131.7 | 159.5 | -54.3 | -179.2 | 0 | 0 | 0 | 107.9 | I213 C214 L219 L233 C260 A262 M269 F271 | I213-L223 CarbonylContact C-O 3.35Å; I213-L223 VanDerWaalsContact CA-O 3.32Å; I213-L223 WeakPolarHBondContact CA-O 3.16Å; C214-L223 HydrophobicContact CB-CB 4.29Å; C214-L223 PolarHBondContact N-O 3.29Å; C214-L223 PolarHBondContact O-N 3.18Å; L219-L223 HydrophobicContact CD1-CD2 4.14Å; L223-L233 HydrophobicContact CD2-CB 4.37Å; L223-L233 HydrophobicContact CD2-CD1 3.63Å; L223-C260 HydrophobicContact CB-CB 4.36Å; L223-A262 HydrophobicContact CD1-CB 3.76Å; L223-M269 HydrophobicContact CD1-CB 3.96Å; L223-M269 HydrophobicContact CD1-CG 4Å; L223-M269 HydrophobicContact CD2-CB 3.98Å; L223-M269 HydrophobicContact CD2-CG 3.48Å; L223-M269 VanDerWaalsContact CD2-CG 3.48Å; L223-M269 HydrophobicContact CD2-SD 3.45Å; L223-M269 WeakPolarHBondContact CD2-SD 3.32Å; L223-M269 HydrophobicContact CG-CG 4.38Å; L223-F271 HydrophobicContact CB-CE1 4.42Å; L223-F271 HydrophobicContact CD2-CZ 4.27Å |
| 224 | I | 96.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 146.1 | 176.9 | 60.7 | 165.5 | 0 | 0 | 0 | 110.9 | F184 L210 I213 F222 L226 A231 A232 V234 | F184-I224 HydrophobicContact CE1-CD1 4.17Å; F184-I224 HydrophobicContact CZ-CD1 4.22Å; L210-I224 HydrophobicContact CD1-CG2 4.06Å; L210-I224 HydrophobicContact CD2-CB 4.08Å; L210-I224 HydrophobicContact CD2-CD1 4.11Å; L210-I224 HydrophobicContact CD2-CG2 4.23Å; I213-I224 HydrophobicContact CB-CG2 4.49Å; I213-I224 HydrophobicContact CD1-CG2 4.15Å; I213-I224 HydrophobicContact CG1-CG2 4.03Å; F222-I224 HydrophobicContact CB-CG2 4.33Å; I224-L226 HydrophobicContact CD1-CD2 4.07Å; I224-A231 WeakPolarHBondContact O-CA 3.28Å; I224-A232 HydrophobicContact CD1-CB 4.17Å; I224-A232 HydrophobicContact CG1-CB 3.9Å; I224-A232 WeakPolarHBondContact CG1-O 3.38Å; I224-A232 PolarHBondContact N-O 2.74Å; I224-A232 PolarHBondContact O-N 3.2Å; I224-V234 HydrophobicContact CD1-CG2 3.52Å; I224-V234 HydrophobicContact CG1-CG2 3.91Å; I224-V234 HydrophobicContact CG2-CG2 4.08Å |
| 225 | V | 97.4 | Very high | 93 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 126.6 | 167.3 | 179.2 | 0 | 0 | 0 | 0 | 107.7 | L210 L211 D212 A257 C260 F271 | L210-V225 CarbonylContact C-O 3.59Å; L210-V225 WeakPolarHBondContact CA-O 3.47Å; L211-V225 HydrophobicContact CB-CB 4.47Å; L211-V225 HydrophobicContact CB-CG1 4.17Å; L211-V225 HydrophobicContact CD1-CG1 4.2Å; L211-V225 PolarHBondContact N-O 3.2Å; D212-V225 HydrophobicContact CB-CB 4.32Å; D212-V225 HydrophobicContact CB-CG2 4.46Å; D212-V225 PolarHBondContact O-N 2.85Å; V225-A257 VanDerWaalsContact CG1-C 3.49Å; V225-A257 HydrophobicContact CG1-CB 3.73Å; V225-A257 VanDerWaalsContact CG1-O 3.25Å; V225-A257 WeakPolarHBondContact CG1-O 3.39Å; V225-A257 HydrophobicContact CG2-CB 4.14Å; V225-C260 HydrophobicContact CG2-CB 3.93Å; V225-F271 HydrophobicContact CG2-CD1 4.09Å; V225-F271 HydrophobicContact CG2-CE1 4.47Å |
| 226 | L | 95.3 | Very high | 92.8 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 158.6 | 178.1 | -59.7 | -175.5 | 0 | 0 | 0 | 111.7 | V179 F184 L199 Y209 L210 L211 I224 S228 G229 R230 W250 | V179-L226 HydrophobicContact CG1-CD2 3.72Å; F184-L226 HydrophobicContact CE1-CD1 4.37Å; F184-L226 HydrophobicContact CZ-CD1 4.32Å; L199-L226 HydrophobicContact CD1-CD1 4.19Å; Y209-L226 WeakPolarHBondContact O-CA 3.16Å; L210-L226 HydrophobicContact CD2-CD2 3.52Å; L211-L226 WeakPolarHBondContact CD1-O 3.18Å; I224-L226 HydrophobicContact CD1-CD2 4.07Å; L226-S228 PolarHBondContact O-N 3.05Å; L226-G229 WeakPolarHBondContact O-CA 3.36Å; L226-G229 PolarHBondContact O-N 3.05Å; L226-R230 PolarHBondContact N-O 2.92Å; L226-W250 HydrophobicContact CD1-CH2 3.59Å; L226-W250 HydrophobicContact CD1-CZ3 3.78Å |
| 227 | D | 93.1 | Very high | 92.6 | Very high | 55 Ų | 55 | 26.4 Ų | 26.4 | 29% | 0.294 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -32.5 | 171.5 | 73.1 | -47.1 | 0 | 0 | 0 | 114 | Y209 L211 G229 | Y209-D227 HydrophobicContact CD1-CB 3.73Å; Y209-D227 HydrophobicContact CD2-CB 4.02Å; Y209-D227 HydrophobicContact CE1-CB 3.33Å; Y209-D227 WeakPolarHBondContact CE1-OD2 3.07Å; Y209-D227 HydrophobicContact CE2-CB 3.71Å; Y209-D227 HydrophobicContact CG-CB 4.05Å; Y209-D227 PolarHBondContact N-OD1 2.82Å; Y209-D227 PolarHBondContact O-N 2.72Å; L211-D227 HydrophobicContact CD2-CB 4.44Å; D227-G229 PolarHBondContact O-N 2.64Å; D227-G229 VanDerWaalsContact O-N 3.13Å |
| 228 | S | 91.5 | Very high | 92.7 | Very high | 65 Ų | 65 | 24.6 Ų | 24.6 | 46% | 0.455 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | 0.9 | 170.7 | 62.9 | 0 | 0 | 0 | 0 | 115.5 | L226 R230 | L226-S228 PolarHBondContact O-N 3.05Å; S228-R230 PolarHBondContact O-N 3.28Å |
| 229 | G | 94.3 | Very high | 92.6 | Very high | 7 Ų | 7 | 27.4 Ų | 27.4 | 7% | 0.072 | 17% | 0.171 | C | C | . | . | S | Bend | trans | 73.9 | 1.4 | -177 | 0 | 0 | 0 | 0 | 0 | 114.8 | L226 D227 F255 E256 A257 | L226-G229 WeakPolarHBondContact O-CA 3.36Å; L226-G229 PolarHBondContact O-N 3.05Å; D227-G229 PolarHBondContact O-N 2.64Å; D227-G229 VanDerWaalsContact O-N 3.13Å; G229-F255 CarbonylContact C-O 3.51Å; G229-F255 WeakPolarHBondContact CA-O 3.48Å; G229-F255 CarbonylContact O-C 3.55Å; G229-F255 WeakPolarHBondContact O-CA 3.33Å; G229-E256 PolarHBondContact O-N 3.46Å; G229-E256 VanDerWaalsContact O-N 3.11Å; G229-A257 WeakPolarHBondContact O-CB 3.18Å; G229-A257 PolarHBondContact O-N 3.13Å |
| 230 | R | 94.7 | Very high | 92.6 | Very high | 109 Ų | 109 | 35.1 Ų | 35.1 | 41% | 0.411 | 20% | 0.199 | S | C | . | . | trans | -81.6 | 148.1 | 174.3 | -63.9 | -175 | -178.4 | -169.6 | 0.9 | 111.3 | L226 S228 W250 F255 | L226-R230 PolarHBondContact N-O 2.92Å; S228-R230 PolarHBondContact O-N 3.28Å; R230-W250 HydrophobicContact CB-CE3 4.19Å; R230-W250 HydrophobicContact CB-CH2 4.38Å; R230-W250 HydrophobicContact CB-CZ3 3.63Å; R230-W250 HydrophobicContact CG-CZ3 4.5Å; R230-F255 HydrophobicContact CG-CD1 4.13Å | ||
| 231 | A | 96 | Very high | 92.9 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.008 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 149.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I224 V251 I254 A257 F271 | I224-A231 WeakPolarHBondContact O-CA 3.28Å; A231-V251 HydrophobicContact CB-CB 4.11Å; A231-V251 HydrophobicContact CB-CG2 3.88Å; A231-V251 WeakPolarHBondContact O-CG2 3.49Å; A231-V251 PolarHBondContact O-N 3.36Å; A231-I254 HydrophobicContact CB-CG2 4.4Å; A231-A257 HydrophobicContact CB-CB 4.35Å; A231-F271 HydrophobicContact CB-CD1 3.59Å; A231-F271 HydrophobicContact CB-CE1 3.56Å; A231-F271 HydrophobicContact CB-CG 4.1Å; A231-F271 HydrophobicContact CB-CZ 4.04Å |
| 232 | A | 95 | Very high | 92.8 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 162.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F184 I224 A248 I249 W250 | F184-A232 HydrophobicContact CD1-CB 4.1Å; F184-A232 HydrophobicContact CE1-CB 3.82Å; I224-A232 HydrophobicContact CD1-CB 4.17Å; I224-A232 HydrophobicContact CG1-CB 3.9Å; I224-A232 WeakPolarHBondContact CG1-O 3.38Å; I224-A232 PolarHBondContact N-O 2.74Å; I224-A232 PolarHBondContact O-N 3.2Å; A232-A248 HydrophobicContact CB-CB 4.35Å; A232-I249 CarbonylContact C-O 3.58Å; A232-I249 WeakPolarHBondContact CA-O 3.43Å; A232-I249 WeakPolarHBondContact CB-O 3.38Å; A232-W250 HydrophobicContact CB-CE3 4.04Å; A232-W250 HydrophobicContact CB-CZ3 4.36Å |
| 233 | L | 95.2 | Very high | 92.6 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 116.3 | 166.7 | 175 | 70.7 | 0 | 0 | 0 | 109 | L219 F222 L223 T235 A248 I249 M269 I283 I290 | L219-L233 HydrophobicContact CB-CD1 4.3Å; F222-L233 CarbonylContact O-C 3.59Å; F222-L233 WeakPolarHBondContact O-CA 3.41Å; L223-L233 HydrophobicContact CD2-CB 4.37Å; L223-L233 HydrophobicContact CD2-CD1 3.63Å; L233-T235 HydrophobicContact CD2-CG2 3.88Å; L233-T235 HydrophobicContact CG-CG2 3.83Å; L233-A248 CarbonylContact O-C 3.52Å; L233-A248 WeakPolarHBondContact O-CA 3.34Å; L233-I249 PolarHBondContact N-O 3.34Å; L233-I249 PolarHBondContact O-N 2.94Å; L233-M269 HydrophobicContact CB-SD 4.46Å; L233-M269 HydrophobicContact CD2-SD 4.39Å; L233-I283 HydrophobicContact CD2-CD1 3.52Å; L233-I283 HydrophobicContact CD2-CG1 4.27Å; L233-I290 HydrophobicContact CB-CD1 3.83Å |
| 234 | V | 94.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 121.9 | 171.9 | -174.6 | 0 | 0 | 0 | 0 | 109.2 | I182 G221 F222 I224 L246 R247 A248 | I182-V234 HydrophobicContact CD1-CG1 4.24Å; I182-V234 HydrophobicContact CD1-CG2 4.29Å; G221-V234 CarbonylContact C-O 3.56Å; G221-V234 WeakPolarHBondContact CA-O 3.49Å; F222-V234 HydrophobicContact CB-CB 4.44Å; F222-V234 PolarHBondContact N-O 2.92Å; F222-V234 PolarHBondContact O-N 3.09Å; I224-V234 HydrophobicContact CD1-CG2 3.52Å; I224-V234 HydrophobicContact CG1-CG2 3.91Å; I224-V234 HydrophobicContact CG2-CG2 4.08Å; V234-L246 HydrophobicContact CG1-CB 4.26Å; V234-L246 HydrophobicContact CG1-CD2 4.12Å; V234-R247 CarbonylContact C-O 3.09Å; V234-R247 WeakPolarHBondContact CA-O 3.33Å; V234-A248 HydrophobicContact CG2-CB 4.25Å |
| 235 | T | 92.6 | Very high | 91.9 | Very high | 27 Ų | 27 | 48.6 Ų | 48.6 | 17% | 0.166 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 160.2 | 178.2 | 60.4 | 0 | 0 | 0 | 0 | 111 | L233 R247 | L233-T235 HydrophobicContact CD2-CG2 3.88Å; L233-T235 HydrophobicContact CG-CG2 3.83Å; T235-R247 PolarHBondContact N-O 3.22Å; T235-R247 PolarHBondContact O-N 3.42Å; T235-R247 PolarHBondContact OG1-O 2.91Å |
| 236 | A | 90.5 | Very high | 91.7 | Very high | 19 Ų | 19 | 48.8 Ų | 48.8 | 16% | 0.157 | 26% | 0.26 | C | S | . | . | trans | -143.7 | 149.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | S238 F241 L246 | A236-S238 VanDerWaalsContact C-N 3.31Å; A236-F241 HydrophobicContact CB-CD1 3.5Å; A236-F241 HydrophobicContact CB-CE1 4Å; A236-F241 HydrophobicContact CB-CG 4.27Å; A236-L246 HydrophobicContact CB-CD2 4.24Å | ||
| 237 | P | 87 | Confident | 91.4 | Very high | 108 Ų | 108 | 54 Ų | 54 | 70% | 0.701 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -67.6 | -31.9 | 171.7 | 28.5 | -34.5 | 0 | 0 | 0 | 112.2 | E245 | P237-E245 HydrophobicContact CG-CB 4.22Š|
| 238 | S | 88.6 | Confident | 91.4 | Very high | 25 Ų | 25 | 51.4 Ų | 51.4 | 18% | 0.175 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -90.1 | 133.3 | 175.1 | -178.8 | 0 | 0 | 0 | 0 | 111.5 | A236 R240 F241 E245 | A236-S238 VanDerWaalsContact C-N 3.31Å; S238-R240 PolarHBondContact O-N 3.45Å; S238-R240 PolarHBondContact OG-N 2.88Å; S238-F241 PolarHBondContact O-N 3.1Å; S238-E245 WeakPolarHBondContact CB-OE2 3.24Å |
| 239 | P | 84 | Confident | 91.4 | Very high | 108 Ų | 108 | 48.8 Ų | 48.8 | 70% | 0.701 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -7.3 | 173.7 | 30.6 | -36.8 | 0 | 0 | 0 | 113 | F241 | P239-F241 VanDerWaalsContact O-CD2 3.27Å; P239-F241 WeakPolarHBondContact O-CD2 3.48Å; P239-F241 WeakPolarHBondContact O-CE2 3.36Å |
| 240 | R | 87.7 | Confident | 91.3 | Very high | 175 Ų | 175 | 49.6 Ų | 49.6 | 66% | 0.66 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81 | -11.4 | 170.9 | -66.9 | -163.6 | -69.8 | 174.6 | -0.8 | 113.5 | R164 S238 | R164-R240 PolarHBondContact NH1-O 2.94Å; R164-R240 PolarHBondContact NH2-O 2.87Å; R164-R240 VanDerWaalsContact NH2-O 3.07Å; S238-R240 PolarHBondContact O-N 3.45Å; S238-R240 PolarHBondContact OG-N 2.88Å |
| 241 | F | 91 | Very high | 91.3 | Very high | 5 Ų | 5 | 44.8 Ų | 44.8 | 2% | 0.022 | 23% | 0.23 | C | C | . | . | trans | 51.6 | 56.8 | 179.9 | -61.6 | -81.7 | 0 | 0 | 0 | 112.6 | Y215 F222 A236 S238 P239 L246 | Y215-F241 AromaticContact CE2-CE2 3.82Å; Y215-F241 HydrophobicContact CE2-CE2 3.82Å; Y215-F241 AromaticContact CE2-CZ 3.86Å; Y215-F241 HydrophobicContact CE2-CZ 3.86Å; F222-F241 HydrophobicContact CD2-CD1 4.22Å; F222-F241 HydrophobicContact CD2-CE1 4.31Å; F222-F241 HydrophobicContact CE2-CB 4.2Å; F222-F241 AromaticContact CE2-CD1 3.65Å; F222-F241 HydrophobicContact CE2-CD1 3.65Å; F222-F241 AromaticContact CE2-CD2 3.93Å; F222-F241 HydrophobicContact CE2-CD2 3.93Å; F222-F241 AromaticContact CE2-CE1 3.97Å; F222-F241 HydrophobicContact CE2-CE1 3.97Å; F222-F241 HydrophobicContact CE2-CE2 4.23Å; F222-F241 AromaticContact CE2-CG 3.64Å; F222-F241 HydrophobicContact CE2-CG 3.64Å; F222-F241 HydrophobicContact CE2-CZ 4.25Å; F222-F241 HydrophobicContact CZ-CD2 4.14Å; F222-F241 HydrophobicContact CZ-CE2 4.38Å; F222-F241 HydrophobicContact CZ-CG 4.27Å; A236-F241 HydrophobicContact CB-CD1 3.5Å; A236-F241 HydrophobicContact CB-CE1 4Å; A236-F241 HydrophobicContact CB-CG 4.27Å; S238-F241 PolarHBondContact O-N 3.1Å; P239-F241 VanDerWaalsContact O-CD2 3.27Å; P239-F241 WeakPolarHBondContact O-CD2 3.48Å; P239-F241 WeakPolarHBondContact O-CE2 3.36Å; F241-L246 HydrophobicContact CB-CD2 4.04Å; F241-L246 HydrophobicContact CD1-CD2 4.28Å | ||
| 242 | H | 91.9 | Very high | 91 | Very high | 67 Ų | 67 | 48.6 Ų | 48.6 | 31% | 0.31 | 26% | 0.255 | S | S | . | . | trans | -68.7 | 136.7 | 179.3 | -171.2 | -81.9 | 0 | 0 | 0 | 110.3 | L175 N244 E245 L246 | L175-H242 HydrophobicContact CD2-CB 4.38Å; H242-N244 VanDerWaalsContact C-N 3.33Å; H242-N244 PolarHBondContact O-N 3.13Å; H242-N244 VanDerWaalsContact O-N 3.16Å; H242-E245 HydrophobicContact CB-CG 4.24Å; H242-E245 PolarHBondContact O-N 3.03Å; H242-L246 PolarHBondContact O-N 3.22Å | ||
| 243 | P | 90.8 | Very high | 90.7 | Very high | 27 Ų | 27 | 51 Ų | 51 | 18% | 0.175 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -49.2 | -47.1 | -172.4 | -31.3 | 35.3 | 0 | 0 | 0 | 114.6 | C176 W177 E245 L246 | C176-P243 WeakPolarHBondContact O-CG 3.39Å; W177-P243 HydrophobicContact CB-CB 3.99Å; W177-P243 HydrophobicContact CB-CG 4.07Å; P243-E245 PolarHBondContact O-N 3.3Å; P243-E245 VanDerWaalsContact O-N 3.15Å; P243-L246 WeakPolarHBondContact O-CG 3.41Å; P243-L246 PolarHBondContact O-N 3.18Å |
| 244 | N | 89.1 | Confident | 90.5 | Very high | 147 Ų | 147 | 51.1 Ų | 51.1 | 79% | 0.786 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -66.6 | -12.3 | -179.7 | -60.4 | -17.4 | 0 | 0 | 0 | 115.1 | H242 | H242-N244 VanDerWaalsContact C-N 3.33Å; H242-N244 PolarHBondContact O-N 3.13Å; H242-N244 VanDerWaalsContact O-N 3.16Å |
| 245 | E | 90 | Very high | 90.5 | Very high | 72 Ų | 72 | 57.4 Ų | 57.4 | 34% | 0.336 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -104.1 | -8.9 | -178.8 | -58.5 | -176.4 | 175.6 | 0 | 0 | 113.2 | P237 S238 H242 P243 | P237-E245 HydrophobicContact CG-CB 4.22Å; S238-E245 WeakPolarHBondContact CB-OE2 3.24Å; H242-E245 HydrophobicContact CB-CG 4.24Å; H242-E245 PolarHBondContact O-N 3.03Å; P243-E245 PolarHBondContact O-N 3.3Å; P243-E245 VanDerWaalsContact O-N 3.15Å |
| 246 | L | 92.2 | Very high | 90.6 | Very high | 4 Ų | 4 | 60.5 Ų | 60.5 | 2% | 0.021 | 32% | 0.321 | C | S | . | . | trans | -63.8 | 138.2 | -178.6 | -60.1 | -178.6 | 0 | 0 | 0 | 111.2 | W177 I182 P183 V234 A236 F241 H242 P243 | W177-L246 HydrophobicContact CB-CD1 3.9Å; W177-L246 HydrophobicContact CD2-CD1 3.67Å; W177-L246 HydrophobicContact CE3-CD1 4.17Å; W177-L246 HydrophobicContact CG-CD1 3.56Å; I182-L246 HydrophobicContact CD1-CD1 4.06Å; I182-L246 HydrophobicContact CG1-CB 4.28Å; I182-L246 HydrophobicContact CG1-CD1 4.14Å; I182-L246 HydrophobicContact CG2-CB 4.45Å; P183-L246 VanDerWaalsContact CD-O 3.31Å; P183-L246 WeakPolarHBondContact CD-O 3.49Å; P183-L246 WeakPolarHBondContact CG-O 3.3Å; V234-L246 HydrophobicContact CG1-CB 4.26Å; V234-L246 HydrophobicContact CG1-CD2 4.12Å; A236-L246 HydrophobicContact CB-CD2 4.24Å; F241-L246 HydrophobicContact CB-CD2 4.04Å; F241-L246 HydrophobicContact CD1-CD2 4.28Å; H242-L246 PolarHBondContact O-N 3.22Å; P243-L246 WeakPolarHBondContact O-CG 3.41Å; P243-L246 PolarHBondContact O-N 3.18Å | ||
| 247 | R | 90.6 | Very high | 90.9 | Very high | 112 Ų | 112 | 59.6 Ų | 59.6 | 42% | 0.423 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 134.6 | 171.4 | -59.2 | -176.7 | -170.7 | 171.1 | 5.4 | 109.5 | P183 F185 S191 V234 T235 | P183-R247 HydrophobicContact CG-CG 4.41Å; F185-R247 HydrophobicContact CD2-CB 4.39Å; F185-R247 HydrophobicContact CE2-CB 4.1Å; F185-R247 HydrophobicContact CE2-CG 4.14Å; S191-R247 PolarHBondContact OG-NH1 3.31Å; V234-R247 CarbonylContact C-O 3.09Å; V234-R247 WeakPolarHBondContact CA-O 3.33Å; T235-R247 PolarHBondContact N-O 3.22Å; T235-R247 PolarHBondContact O-N 3.42Å; T235-R247 PolarHBondContact OG1-O 2.91Å |
| 248 | A | 92 | Very high | 91.4 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 141.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | I182 P183 F184 F185 A232 L233 V234 | I182-A248 HydrophobicContact CG2-CB 3.69Å; P183-A248 PolarHBondContact O-N 2.65Å; F184-A248 CarbonylContact C-O 3.5Å; F184-A248 WeakPolarHBondContact CA-O 3.34Å; F184-A248 HydrophobicContact CB-CB 4.3Å; F184-A248 HydrophobicContact CD1-CB 3.25Å; F184-A248 HydrophobicContact CD2-CB 4.19Å; F184-A248 HydrophobicContact CE1-CB 3.45Å; F184-A248 VanDerWaalsContact CE1-CB 3.45Å; F184-A248 HydrophobicContact CE2-CB 4.33Å; F184-A248 HydrophobicContact CG-CB 3.65Å; F184-A248 HydrophobicContact CZ-CB 3.98Å; F185-A248 PolarHBondContact N-O 2.9Å; A232-A248 HydrophobicContact CB-CB 4.35Å; L233-A248 CarbonylContact O-C 3.52Å; L233-A248 WeakPolarHBondContact O-CA 3.34Å; V234-A248 HydrophobicContact CG2-CB 4.25Å |
| 249 | I | 91.8 | Very high | 91.8 | Very high | 10 Ų | 10 | 54.9 Ų | 54.9 | 5% | 0.051 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 120.9 | 171.1 | -56.9 | 174 | 0 | 0 | 0 | 107.4 | F185 Q188 A232 L233 G288 I290 | F185-I249 WeakPolarHBondContact O-CA 3.4Å; Q188-I249 HydrophobicContact CB-CD1 4.13Å; A232-I249 CarbonylContact C-O 3.58Å; A232-I249 WeakPolarHBondContact CA-O 3.43Å; A232-I249 WeakPolarHBondContact CB-O 3.38Å; L233-I249 PolarHBondContact N-O 3.34Å; L233-I249 PolarHBondContact O-N 2.94Å; I249-G288 WeakPolarHBondContact CD1-O 3.5Å; I249-I290 HydrophobicContact CB-CD1 4.23Å; I249-I290 HydrophobicContact CG2-CD1 4.02Å; I249-I290 HydrophobicContact CG2-CG1 3.92Å; I249-I290 WeakPolarHBondContact O-CD1 3.37Å |
| 250 | W | 92.5 | Very high | 92.5 | Very high | 24 Ų | 24 | 50 Ų | 50 | 9% | 0.091 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 141.3 | 178.6 | -74.4 | 122.5 | 0 | 0 | 0 | 111.6 | F184 F185 S197 L199 L226 R230 A232 P252 | F184-W250 HydrophobicContact CB-CD2 4.37Å; F184-W250 HydrophobicContact CB-CZ2 3.81Å; F184-W250 AromaticContact CD1-CD2 3.77Å; F184-W250 HydrophobicContact CD1-CD2 3.77Å; F184-W250 AromaticContact CD1-CE2 3.49Å; F184-W250 VanDerWaalsContact CD1-CE2 3.49Å; F184-W250 AromaticContact CD1-CE3 3.91Å; F184-W250 HydrophobicContact CD1-CE3 3.91Å; F184-W250 AromaticContact CD1-CH2 3.5Å; F184-W250 HydrophobicContact CD1-CH2 3.5Å; F184-W250 VanDerWaalsContact CD1-CH2 3.5Å; F184-W250 AromaticContact CD1-CZ2 3.36Å; F184-W250 HydrophobicContact CD1-CZ2 3.36Å; F184-W250 AromaticContact CD1-CZ3 3.77Å; F184-W250 HydrophobicContact CD1-CZ3 3.77Å; F184-W250 HydrophobicContact CD2-CZ2 4.29Å; F184-W250 HydrophobicContact CE1-CE3 4.29Å; F184-W250 AromaticContact CE1-CH2 3.61Å; F184-W250 HydrophobicContact CE1-CH2 3.61Å; F184-W250 AromaticContact CE1-CZ2 3.97Å; F184-W250 HydrophobicContact CE1-CZ2 3.97Å; F184-W250 AromaticContact CE1-CZ3 3.79Å; F184-W250 HydrophobicContact CE1-CZ3 3.79Å; F184-W250 HydrophobicContact CG-CD2 4.45Å; F184-W250 AromaticContact CG-CE2 3.76Å; F184-W250 HydrophobicContact CG-CH2 4.11Å; F184-W250 AromaticContact CG-CZ2 3.57Å; F184-W250 HydrophobicContact CG-CZ2 3.57Å; F184-W250 HydrophobicContact CZ-CH2 4.31Å; F185-W250 PolarHBondContact O-N 3.03Å; S197-W250 PolarHBondContact OG-NE1 3.47Å; L199-W250 HydrophobicContact CD2-CZ2 4.43Å; L226-W250 HydrophobicContact CD1-CH2 3.59Å; L226-W250 HydrophobicContact CD1-CZ3 3.78Å; R230-W250 HydrophobicContact CB-CE3 4.19Å; R230-W250 HydrophobicContact CB-CH2 4.38Å; R230-W250 HydrophobicContact CB-CZ3 3.63Å; R230-W250 HydrophobicContact CG-CZ3 4.5Å; A232-W250 HydrophobicContact CB-CE3 4.04Å; A232-W250 HydrophobicContact CB-CZ3 4.36Å; W250-P252 WeakPolarHBondContact O-CD 3.33Å |
| 251 | V | 94.5 | Very high | 92.9 | Very high | 7 Ų | 7 | 42 Ų | 42 | 4% | 0.042 | 22% | 0.222 | C | C | . | . | trans | -84.5 | 115.9 | 166 | -172.2 | 0 | 0 | 0 | 0 | 108 | A231 I254 F271 C281 I290 | A231-V251 HydrophobicContact CB-CB 4.11Å; A231-V251 HydrophobicContact CB-CG2 3.88Å; A231-V251 WeakPolarHBondContact O-CG2 3.49Å; A231-V251 PolarHBondContact O-N 3.36Å; V251-I254 HydrophobicContact CB-CD1 4.31Å; V251-I254 HydrophobicContact CG1-CD1 3.47Å; V251-I254 VanDerWaalsContact CG1-CD1 3.47Å; V251-I254 HydrophobicContact CG1-CG1 4.02Å; V251-F271 HydrophobicContact CB-CE2 4.49Å; V251-F271 HydrophobicContact CG1-CD2 4.41Å; V251-F271 HydrophobicContact CG1-CE2 4.15Å; V251-F271 HydrophobicContact CG2-CE2 3.67Å; V251-F271 HydrophobicContact CG2-CZ 3.71Å; V251-C281 HydrophobicContact CG1-CB 4.46Å; V251-I290 HydrophobicContact CB-CG2 4.42Å; V251-I290 HydrophobicContact CG1-CG2 3.97Å; V251-I290 HydrophobicContact CG2-CD1 3.82Å; V251-I290 HydrophobicContact CG2-CG2 4.22Å | ||
| 252 | P | 89.9 | Confident | 93.2 | Very high | 81 Ų | 81 | 42.1 Ų | 42.1 | 53% | 0.526 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | 141.6 | -175.1 | 27.7 | -34.4 | 0 | 0 | 0 | 112 | W250 I254 I290 | W250-P252 WeakPolarHBondContact O-CD 3.33Å; P252-I254 VanDerWaalsContact C-N 3.33Å; P252-I254 PolarHBondContact O-N 2.98Å; P252-I290 WeakPolarHBondContact CD-O 3.33Å; P252-I290 VanDerWaalsContact CG-O 3.23Å; P252-I290 WeakPolarHBondContact CG-O 3.16Å |
| 253 | G | 88.4 | Confident | 93.4 | Very high | 51 Ų | 51 | 39 Ų | 39 | 53% | 0.526 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | 0.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 254 | I | 91.9 | Very high | 93.4 | Very high | 4 Ų | 4 | 41.4 Ų | 41.4 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | trans | -103.9 | 120.6 | 178.9 | -56.2 | -174.1 | 0 | 0 | 0 | 110.6 | A231 V251 P252 A257 F271 Y279 | A231-I254 HydrophobicContact CB-CG2 4.4Å; V251-I254 HydrophobicContact CB-CD1 4.31Å; V251-I254 HydrophobicContact CG1-CD1 3.47Å; V251-I254 VanDerWaalsContact CG1-CD1 3.47Å; V251-I254 HydrophobicContact CG1-CG1 4.02Å; P252-I254 VanDerWaalsContact C-N 3.33Å; P252-I254 PolarHBondContact O-N 2.98Å; I254-A257 HydrophobicContact CG2-CB 3.65Å; I254-F271 HydrophobicContact CD1-CB 4.01Å; I254-F271 HydrophobicContact CD1-CD2 3.83Å; I254-F271 HydrophobicContact CD1-CG 4.11Å; I254-Y279 HydrophobicContact CD1-CD2 4.48Å; I254-Y279 HydrophobicContact CD1-CG 3.99Å; I254-Y279 HydrophobicContact CG1-CD1 4.39Å; I254-Y279 HydrophobicContact CG1-CD2 4.48Å; I254-Y279 HydrophobicContact CG1-CG 4.13Å | ||
| 255 | F | 93.6 | Very high | 93.5 | Very high | 132 Ų | 132 | 38 Ų | 38 | 58% | 0.579 | 19% | 0.194 | S | C | * | . | trans | -131.2 | 0.3 | -177.8 | -55.6 | -74.1 | 0 | 0 | 0 | 114.3 | G229 R230 | G229-F255 CarbonylContact C-O 3.51Å; G229-F255 WeakPolarHBondContact CA-O 3.48Å; G229-F255 CarbonylContact O-C 3.55Å; G229-F255 WeakPolarHBondContact O-CA 3.33Å; R230-F255 HydrophobicContact CG-CD1 4.13Å | ||
| 256 | E | 95.1 | Very high | 93.7 | Very high | 92 Ų | 92 | 35.1 Ų | 35.1 | 43% | 0.43 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -132.7 | 19 | -175.8 | -59 | -175.1 | 153.5 | 0 | 0 | 112.7 | G229 C273 L274 S275 | G229-E256 PolarHBondContact O-N 3.46Å; G229-E256 VanDerWaalsContact O-N 3.11Å; E256-C273 HydrophobicContact CB-CB 4.23Å; E256-C273 CarbonylContact O-C 3.54Å; E256-C273 WeakPolarHBondContact O-CA 3.36Å; E256-L274 HydrophobicContact CB-CB 4.36Å; E256-L274 PolarHBondContact O-N 3.07Å; E256-S275 WeakPolarHBondContact OE2-CB 3.26Å; E256-S275 PolarHBondContact OE2-OG 2.88Å |
| 257 | A | 97.3 | Very high | 93.8 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.008 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 144.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | V225 G229 A231 I254 F271 G272 | V225-A257 VanDerWaalsContact CG1-C 3.49Å; V225-A257 HydrophobicContact CG1-CB 3.73Å; V225-A257 VanDerWaalsContact CG1-O 3.25Å; V225-A257 WeakPolarHBondContact CG1-O 3.39Å; V225-A257 HydrophobicContact CG2-CB 4.14Å; G229-A257 WeakPolarHBondContact O-CB 3.18Å; G229-A257 PolarHBondContact O-N 3.13Å; A231-A257 HydrophobicContact CB-CB 4.35Å; I254-A257 HydrophobicContact CG2-CB 3.65Å; A257-F271 HydrophobicContact CB-CB 4.42Å; A257-G272 CarbonylContact C-O 3.48Å; A257-G272 WeakPolarHBondContact CA-O 3.45Å |
| 258 | C | 96.7 | Very high | 94 | Very high | 26 Ų | 26 | 31.4 Ų | 31.4 | 18% | 0.176 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | -16.6 | 179.9 | 60.8 | 0 | 0 | 0 | 0 | 113.9 | G272 L274 V313 | C258-G272 PolarHBondContact N-O 3.29Å; C258-G272 PolarHBondContact SG-O 3.17Å; C258-L274 HydrophobicContact CB-CD2 3.92Å; C258-L274 HydrophobicContact CB-CG 4.35Å; C258-V313 PolarHBondContact SG-O 3.48Å |
| 259 | C | 96.8 | Very high | 94.3 | Very high | 8 Ų | 8 | 31.4 Ų | 31.4 | 5% | 0.054 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 161.1 | 173.5 | 55.5 | 0 | 0 | 0 | 0 | 111.6 | D212 F271 G272 | D212-C259 WeakPolarHBondContact OD2-CA 3.23Å; D212-C259 WeakPolarHBondContact OD2-CB 3.35Å; C259-F271 WeakPolarHBondContact O-CA 3.17Å; C259-G272 PolarHBondContact O-N 3.2Å |
| 260 | C | 97.9 | Very high | 94.6 | Very high | 6 Ų | 6 | 30.9 Ų | 30.9 | 4% | 0.041 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 153.2 | -179.6 | 67.3 | 0 | 0 | 0 | 0 | 114.1 | D212 L223 V225 A270 F271 | D212-C260 PolarHBondContact OD2-N 3.43Å; L223-C260 HydrophobicContact CB-CB 4.36Å; V225-C260 HydrophobicContact CG2-CB 3.93Å; C260-A270 CarbonylContact C-O 3.54Å; C260-A270 WeakPolarHBondContact CA-O 3.43Å; C260-F271 HydrophobicContact CB-CD1 3.6Å; C260-F271 HydrophobicContact CB-CE1 3.69Å |
| 261 | S | 97.6 | Very high | 94.9 | Very high | 6 Ų | 6 | 29.8 Ų | 29.8 | 4% | 0.042 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 148.3 | 169.1 | -175 | 0 | 0 | 0 | 0 | 111.4 | A270 D317 W318 | S261-A270 PolarHBondContact N-O 3.41Å; S261-A270 PolarHBondContact O-N 3.14Å; S261-D317 PolarHBondContact OG-OD1 3.24Å; S261-W318 PolarHBondContact O-NE1 3.31Å |
| 262 | A | 96.7 | Very high | 95 | Very high | 8 Ų | 8 | 29.4 Ų | 29.4 | 7% | 0.066 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 134.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L219 L223 L268 W318 | L219-A262 HydrophobicContact CD1-CB 4.18Å; L223-A262 HydrophobicContact CD1-CB 3.76Å; A262-L268 WeakPolarHBondContact CA-O 3.49Å; A262-W318 VanDerWaalsContact C-CD1 3.44Å |
| 263 | N | 95.8 | Very high | 95.3 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.011 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 103 | 165.1 | -169.5 | -39.3 | 0 | 0 | 0 | 108.5 | R265 Y266 R267 L268 W318 G322 | N263-R265 PolarHBondContact OD1-N 3.46Å; N263-Y266 PolarHBondContact OD1-N 3.07Å; N263-R267 CarbonylContact O-C 3.6Å; N263-R267 VanDerWaalsContact O-CA 3.23Å; N263-R267 WeakPolarHBondContact O-CA 3.47Å; N263-R267 PolarHBondContact O-N 3.03Å; N263-L268 HydrophobicContact CB-CB 3.89Å; N263-L268 HydrophobicContact CB-CG 4.49Å; N263-L268 PolarHBondContact N-O 2.82Å; N263-L268 PolarHBondContact O-N 2.94Å; N263-W318 HydrophobicContact CB-CD2 3.72Å; N263-W318 HydrophobicContact CB-CE3 4.18Å; N263-W318 HydrophobicContact CB-CG 4.01Å; N263-W318 HydrophobicContact CB-CH2 4.48Å; N263-W318 HydrophobicContact CB-CZ2 4.06Å; N263-W318 WeakPolarHBondContact ND2-CZ3 3.48Å; N263-G322 PolarHBondContact ND2-O 2.98Å |
| 264 | H | 91.5 | Very high | 95.6 | Very high | 76 Ų | 76 | 27.9 Ų | 27.9 | 35% | 0.352 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -45.1 | 179.6 | -51.6 | -48 | 0 | 0 | 0 | 111.6 | S216 F218 Y266 R267 | S216-H264 PolarHBondContact OG-CE1 2.89Å; S216-H264 PolarHBondContact OG-ND1 3.02Å; F218-H264 HydrophobicContact CB-CB 4.26Å; F218-H264 HydrophobicContact CD2-CB 3.58Å; F218-H264 WeakPolarHBondContact CD2-O 3.45Å; F218-H264 HydrophobicContact CE2-CB 4.02Å; F218-H264 HydrophobicContact CG-CB 4.05Å; H264-Y266 VanDerWaalsContact C-N 3.34Å; H264-Y266 PolarHBondContact O-N 3.06Å; H264-R267 PolarHBondContact O-N 2.67Å |
| 265 | R | 91.3 | Very high | 95.6 | Very high | 75 Ų | 75 | 30.2 Ų | 30.2 | 28% | 0.283 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -39.9 | -174.7 | -176 | 171.2 | -166.1 | -175.5 | 0.1 | 113.3 | N263 S321 C590 V592 | N263-R265 PolarHBondContact OD1-N 3.46Å; R265-S321 WeakPolarHBondContact CD-O 3.49Å; R265-S321 PolarHBondContact NH1-O 2.77Å; R265-C590 WeakPolarHBondContact O-CA 3.39Å; R265-V592 HydrophobicContact CG-CG2 4.34Å; R265-V592 PolarHBondContact NH2-O 3.16Å |
| 266 | Y | 93.7 | Very high | 95.5 | Very high | 13 Ų | 13 | 25.4 Ų | 25.4 | 5% | 0.051 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | 5.8 | 179.6 | -66.3 | -94.2 | 0 | 0 | 0 | 113.8 | N263 H264 L268 G322 V339 F340 V592 | N263-Y266 PolarHBondContact OD1-N 3.07Å; H264-Y266 VanDerWaalsContact C-N 3.34Å; H264-Y266 PolarHBondContact O-N 3.06Å; Y266-L268 PolarHBondContact O-N 2.71Å; Y266-G322 WeakPolarHBondContact CE2-O 3.14Å; Y266-V339 HydrophobicContact CD1-CG1 3.64Å; Y266-V339 HydrophobicContact CD2-CG1 3.5Å; Y266-V339 HydrophobicContact CD2-CG2 4.23Å; Y266-V339 HydrophobicContact CE1-CG1 3.85Å; Y266-V339 HydrophobicContact CE2-CB 4.35Å; Y266-V339 HydrophobicContact CE2-CG1 3.75Å; Y266-V339 HydrophobicContact CE2-CG2 3.73Å; Y266-V339 HydrophobicContact CG-CG1 3.42Å; Y266-V339 VanDerWaalsContact CG-CG1 3.42Å; Y266-F340 AromaticContact CD1-CE2 3.75Å; Y266-F340 HydrophobicContact CD1-CE2 3.75Å; Y266-F340 AromaticContact CD1-CZ 3.61Å; Y266-F340 HydrophobicContact CD1-CZ 3.61Å; Y266-F340 AromaticContact CE1-CE2 3.85Å; Y266-F340 HydrophobicContact CE1-CE2 3.85Å; Y266-F340 HydrophobicContact CE1-CZ 4.21Å; Y266-F340 HydrophobicContact CG-CZ 4.38Å; Y266-V592 HydrophobicContact CD1-CG2 4.21Å; Y266-V592 HydrophobicContact CE1-CG1 4.37Å; Y266-V592 HydrophobicContact CE1-CG2 3.61Å; Y266-V592 HydrophobicContact CE2-CG2 4.34Å; Y266-V592 VanDerWaalsContact OH-CG1 3.23Å; Y266-V592 WeakPolarHBondContact OH-CG1 3.35Å |
| 267 | R | 93.3 | Very high | 95.5 | Very high | 35 Ų | 35 | 21.6 Ų | 21.6 | 13% | 0.132 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 41.5 | -177.1 | -62.7 | 170.3 | 65.6 | -137.7 | 1.1 | 112.9 | L219 N263 H264 D285 | L219-R267 HydrophobicContact CD2-CB 3.8Å; L219-R267 HydrophobicContact CD2-CG 4.38Å; N263-R267 CarbonylContact O-C 3.6Å; N263-R267 VanDerWaalsContact O-CA 3.23Å; N263-R267 WeakPolarHBondContact O-CA 3.47Å; N263-R267 PolarHBondContact O-N 3.03Å; H264-R267 PolarHBondContact O-N 2.67Å; R267-D285 IonicContact CZ-OD1 3.17Å; R267-D285 VanDerWaalsContact CZ-OD1 3.23Å; R267-D285 IonicContact NH1-OD1 3.99Å; R267-D285 PolarHBondContact NH1-OD1 3.06Å; R267-D285 IonicContact NH1-OD2 2.66Å; R267-D285 PolarHBondContact NH1-OD2 3.46Å; R267-D285 VanDerWaalsContact NH1-OD2 3.13Å; R267-D285 IonicContact NH2-OD1 2.7Å; R267-D285 PolarHBondContact NH2-OD1 3.31Å |
| 268 | L | 96.1 | Very high | 95.4 | Very high | 2 Ų | 2 | 21.6 Ų | 21.6 | 1% | 0.01 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 155.1 | 179 | -53.2 | 177.3 | 0 | 0 | 0 | 112.4 | A262 N263 Y266 V280 C281 H282 W318 V339 F340 | A262-L268 WeakPolarHBondContact CA-O 3.49Å; N263-L268 HydrophobicContact CB-CB 3.89Å; N263-L268 HydrophobicContact CB-CG 4.49Å; N263-L268 PolarHBondContact N-O 2.82Å; N263-L268 PolarHBondContact O-N 2.94Å; Y266-L268 PolarHBondContact O-N 2.71Å; L268-V280 HydrophobicContact CB-CG1 3.97Å; L268-V280 HydrophobicContact CD1-CG1 4.08Å; L268-V280 HydrophobicContact CG-CG1 4.46Å; L268-C281 CarbonylContact C-O 3.56Å; L268-C281 WeakPolarHBondContact CA-O 3.05Å; L268-H282 HydrophobicContact CD2-CB 3.82Å; L268-W318 HydrophobicContact CB-CZ2 4.21Å; L268-W318 HydrophobicContact CD1-CH2 3.95Å; L268-W318 HydrophobicContact CD1-CZ2 4.34Å; L268-V339 HydrophobicContact CD1-CG1 3.82Å; L268-V339 WeakPolarHBondContact CD1-O 3.15Å; L268-F340 HydrophobicContact CD1-CD1 4.24Å; L268-F340 HydrophobicContact CD1-CE1 3.89Å; L268-F340 HydrophobicContact CD2-CE1 4.09Å; L268-F340 HydrophobicContact CG-CE1 4.48Å |
| 269 | M | 97.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 111.7 | -178.4 | -57.7 | 174.1 | -80.9 | 0 | 0 | 107.9 | L219 L223 L233 F271 V280 C281 I283 I290 | L219-M269 HydrophobicContact CD1-CG 3.58Å; L219-M269 HydrophobicContact CD1-SD 4.2Å; L223-M269 HydrophobicContact CD1-CB 3.96Å; L223-M269 HydrophobicContact CD1-CG 4Å; L223-M269 HydrophobicContact CD2-CB 3.98Å; L223-M269 HydrophobicContact CD2-CG 3.48Å; L223-M269 VanDerWaalsContact CD2-CG 3.48Å; L223-M269 HydrophobicContact CD2-SD 3.45Å; L223-M269 WeakPolarHBondContact CD2-SD 3.32Å; L223-M269 HydrophobicContact CG-CG 4.38Å; L233-M269 HydrophobicContact CB-SD 4.46Å; L233-M269 HydrophobicContact CD2-SD 4.39Å; M269-F271 HydrophobicContact CB-CE2 3.68Å; M269-F271 HydrophobicContact CB-CZ 4.03Å; M269-V280 CarbonylContact O-C 3.51Å; M269-V280 WeakPolarHBondContact O-CA 3.45Å; M269-C281 HydrophobicContact CE-CB 4.3Å; M269-C281 PolarHBondContact N-O 3.03Å; M269-C281 PolarHBondContact O-N 3.19Å; M269-I283 HydrophobicContact CE-CG1 3.64Å; M269-I283 HydrophobicContact SD-CG1 4.37Å; M269-I290 HydrophobicContact CE-CB 4.4Å; M269-I290 HydrophobicContact CE-CD1 4.31Å; M269-I290 HydrophobicContact CE-CG1 4.08Å; M269-I290 HydrophobicContact CE-CG2 3.63Å; M269-I290 HydrophobicContact SD-CD1 4.37Å |
| 270 | A | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 135.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | C260 S261 Y279 V280 L316 W318 L325 | C260-A270 CarbonylContact C-O 3.54Å; C260-A270 WeakPolarHBondContact CA-O 3.43Å; S261-A270 PolarHBondContact N-O 3.41Å; S261-A270 PolarHBondContact O-N 3.14Å; A270-Y279 WeakPolarHBondContact CA-O 3.5Å; A270-V280 HydrophobicContact CB-CG2 3.95Å; A270-L316 HydrophobicContact CB-CD1 3.65Å; A270-W318 HydrophobicContact CB-CZ2 4.08Å; A270-L325 HydrophobicContact CB-CD1 4.27Å; A270-L325 HydrophobicContact CB-CD2 4.09Å |
| 271 | F | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 122.3 | 179.7 | -59.8 | -77.6 | 0 | 0 | 0 | 110.1 | L223 V225 A231 V251 I254 A257 C259 C260 M269 V278 Y279 | L223-F271 HydrophobicContact CB-CE1 4.42Å; L223-F271 HydrophobicContact CD2-CZ 4.27Å; V225-F271 HydrophobicContact CG2-CD1 4.09Å; V225-F271 HydrophobicContact CG2-CE1 4.47Å; A231-F271 HydrophobicContact CB-CD1 3.59Å; A231-F271 HydrophobicContact CB-CE1 3.56Å; A231-F271 HydrophobicContact CB-CG 4.1Å; A231-F271 HydrophobicContact CB-CZ 4.04Å; V251-F271 HydrophobicContact CB-CE2 4.49Å; V251-F271 HydrophobicContact CG1-CD2 4.41Å; V251-F271 HydrophobicContact CG1-CE2 4.15Å; V251-F271 HydrophobicContact CG2-CE2 3.67Å; V251-F271 HydrophobicContact CG2-CZ 3.71Å; I254-F271 HydrophobicContact CD1-CB 4.01Å; I254-F271 HydrophobicContact CD1-CD2 3.83Å; I254-F271 HydrophobicContact CD1-CG 4.11Å; A257-F271 HydrophobicContact CB-CB 4.42Å; C259-F271 WeakPolarHBondContact O-CA 3.17Å; C260-F271 HydrophobicContact CB-CD1 3.6Å; C260-F271 HydrophobicContact CB-CE1 3.69Å; M269-F271 HydrophobicContact CB-CE2 3.68Å; M269-F271 HydrophobicContact CB-CZ 4.03Å; F271-V278 WeakPolarHBondContact O-CA 3.45Å; F271-Y279 PolarHBondContact N-O 3.43Å; F271-Y279 PolarHBondContact O-N 3.02Å |
| 272 | G | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 136.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111 | A257 C258 C259 | A257-G272 CarbonylContact C-O 3.48Å; A257-G272 WeakPolarHBondContact CA-O 3.45Å; C258-G272 PolarHBondContact N-O 3.29Å; C258-G272 PolarHBondContact SG-O 3.17Å; C259-G272 PolarHBondContact O-N 3.2Å |
| 273 | C | 96.4 | Very high | 95 | Very high | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.014 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 157.8 | -173.4 | -68.7 | 0 | 0 | 0 | 0 | 114.3 | E256 S275 S276 T277 V313 | E256-C273 HydrophobicContact CB-CB 4.23Å; E256-C273 CarbonylContact O-C 3.54Å; E256-C273 WeakPolarHBondContact O-CA 3.36Å; C273-S275 PolarHBondContact O-N 2.69Å; C273-S276 PolarHBondContact O-N 3.09Å; C273-S276 VanDerWaalsContact O-N 3.14Å; C273-T277 WeakPolarHBondContact CB-O 3.15Å; C273-T277 PolarHBondContact N-O 3.42Å; C273-V313 PolarHBondContact O-N 2.8Å |
| 274 | L | 95.4 | Very high | 94.7 | Very high | 97 Ų | 97 | 25.5 Ų | 25.5 | 51% | 0.508 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -24.3 | 175.2 | -63.8 | 176.5 | 0 | 0 | 0 | 113.1 | E256 C258 S276 G312 | E256-L274 HydrophobicContact CB-CB 4.36Å; E256-L274 PolarHBondContact O-N 3.07Å; C258-L274 HydrophobicContact CB-CD2 3.92Å; C258-L274 HydrophobicContact CB-CG 4.35Å; L274-S276 PolarHBondContact O-N 3.43Å; L274-G312 WeakPolarHBondContact O-CA 3.41Å; L274-G312 PolarHBondContact O-N 3.43Å |
| 275 | S | 91.5 | Very high | 94.2 | Very high | 53 Ų | 53 | 25.5 Ų | 25.5 | 37% | 0.371 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | 14.3 | 172 | 42 | 0 | 0 | 0 | 0 | 115 | E256 C273 T277 | E256-S275 WeakPolarHBondContact OE2-CB 3.26Å; E256-S275 PolarHBondContact OE2-OG 2.88Å; C273-S275 PolarHBondContact O-N 2.69Å; S275-T277 PolarHBondContact O-N 3.29Å; S275-T277 VanDerWaalsContact O-N 3.15Å; S275-T277 PolarHBondContact OG-OG1 3.3Å |
| 276 | S | 91.9 | Very high | 93.9 | Very high | 32 Ų | 32 | 26.7 Ų | 26.7 | 22% | 0.224 | 15% | 0.149 | C | C | . | . | S | Bend | trans | 69.1 | -3.1 | -176.6 | -19.4 | 0 | 0 | 0 | 0 | 115.2 | C273 L274 G311 W329 | C273-S276 PolarHBondContact O-N 3.09Å; C273-S276 VanDerWaalsContact O-N 3.14Å; L274-S276 PolarHBondContact O-N 3.43Å; S276-G311 VanDerWaalsContact CB-O 3.25Å; S276-G311 WeakPolarHBondContact CB-O 3.31Å; S276-G311 PolarHBondContact OG-O 3.41Å; S276-W329 PolarHBondContact O-NE1 2.88Å |
| 277 | T | 93.5 | Very high | 93.5 | Very high | 11 Ų | 11 | 28.5 Ų | 28.5 | 7% | 0.067 | 16% | 0.162 | C | C | . | . | trans | -86.5 | 155.5 | -178.2 | 59.7 | 0 | 0 | 0 | 0 | 111.8 | C273 S275 Y279 | C273-T277 WeakPolarHBondContact CB-O 3.15Å; C273-T277 PolarHBondContact N-O 3.42Å; S275-T277 PolarHBondContact O-N 3.29Å; S275-T277 VanDerWaalsContact O-N 3.15Å; S275-T277 PolarHBondContact OG-OG1 3.3Å; T277-Y279 WeakPolarHBondContact OG1-CE2 3.48Å | ||
| 278 | V | 96.8 | Very high | 93.1 | Very high | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.012 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 130.2 | 172.5 | 176.9 | 0 | 0 | 0 | 0 | 109.6 | F271 V280 K295 A296 V313 L316 L325 V327 | F271-V278 WeakPolarHBondContact O-CA 3.45Å; V278-V280 HydrophobicContact CG1-CG2 4.16Å; V278-K295 CarbonylContact O-C 3.53Å; V278-A296 HydrophobicContact CB-CB 4.15Å; V278-A296 PolarHBondContact N-O 3.3Å; V278-A296 PolarHBondContact O-N 3.09Å; V278-V313 HydrophobicContact CG2-CG2 3.84Å; V278-L316 HydrophobicContact CG1-CD2 4.46Å; V278-L325 HydrophobicContact CG1-CD2 4.06Å; V278-V327 HydrophobicContact CG2-CG1 3.83Å; V278-V327 HydrophobicContact CG2-CG2 3.99Å |
| 279 | Y | 97.3 | Very high | 92.7 | Very high | 50 Ų | 50 | 27.7 Ų | 27.7 | 20% | 0.196 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 130.2 | 174.7 | -68.7 | -98.5 | 0 | 0 | 0 | 108.8 | I254 A270 F271 T277 L292 K295 | I254-Y279 HydrophobicContact CD1-CD2 4.48Å; I254-Y279 HydrophobicContact CD1-CG 3.99Å; I254-Y279 HydrophobicContact CG1-CD1 4.39Å; I254-Y279 HydrophobicContact CG1-CD2 4.48Å; I254-Y279 HydrophobicContact CG1-CG 4.13Å; A270-Y279 WeakPolarHBondContact CA-O 3.5Å; F271-Y279 PolarHBondContact N-O 3.43Å; F271-Y279 PolarHBondContact O-N 3.02Å; T277-Y279 WeakPolarHBondContact OG1-CE2 3.48Å; Y279-L292 HydrophobicContact CD1-CD1 3.79Å; Y279-L292 HydrophobicContact CD1-CD2 4.41Å; Y279-K295 HydrophobicContact CD1-CG 4.34Å; Y279-K295 HydrophobicContact CE1-CD 4.3Å; Y279-K295 HydrophobicContact CE1-CG 4.08Å |
| 280 | V | 97.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 123.9 | 174.6 | -178.5 | 0 | 0 | 0 | 0 | 109 | L268 M269 A270 V278 T293 Y294 W318 L325 | L268-V280 HydrophobicContact CB-CG1 3.97Å; L268-V280 HydrophobicContact CD1-CG1 4.08Å; L268-V280 HydrophobicContact CG-CG1 4.46Å; M269-V280 CarbonylContact O-C 3.51Å; M269-V280 WeakPolarHBondContact O-CA 3.45Å; A270-V280 HydrophobicContact CB-CG2 3.95Å; V278-V280 HydrophobicContact CG1-CG2 4.16Å; V280-T293 WeakPolarHBondContact O-CA 3.28Å; V280-T293 WeakPolarHBondContact O-CB 3.3Å; V280-T293 PolarHBondContact O-N 3.27Å; V280-T293 PolarHBondContact O-OG1 3.03Å; V280-Y294 HydrophobicContact CB-CD1 3.97Å; V280-Y294 HydrophobicContact CB-CD2 4.42Å; V280-Y294 HydrophobicContact CB-CE1 3.54Å; V280-Y294 HydrophobicContact CB-CE2 4.05Å; V280-Y294 HydrophobicContact CB-CG 4.4Å; V280-Y294 HydrophobicContact CG1-CD1 4.3Å; V280-Y294 HydrophobicContact CG1-CE1 3.62Å; V280-Y294 HydrophobicContact CG2-CD2 4.48Å; V280-Y294 HydrophobicContact CG2-CE1 3.98Å; V280-Y294 HydrophobicContact CG2-CE2 3.75Å; V280-Y294 VanDerWaalsContact CG2-CZ 3.48Å; V280-Y294 PolarHBondContact N-O 3.26Å; V280-Y294 PolarHBondContact O-N 3.45Å; V280-Y294 VanDerWaalsContact O-N 3.16Å; V280-W318 HydrophobicContact CG1-CH2 4.35Å; V280-W318 HydrophobicContact CG1-CZ2 4.07Å; V280-L325 HydrophobicContact CG2-CD2 4.06Å |
| 281 | C | 96.7 | Very high | 92.4 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.007 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 162.7 | -173.3 | -58.4 | 0 | 0 | 0 | 0 | 111.2 | V251 L268 M269 I290 L291 T293 | V251-C281 HydrophobicContact CG1-CB 4.46Å; L268-C281 CarbonylContact C-O 3.56Å; L268-C281 WeakPolarHBondContact CA-O 3.05Å; M269-C281 HydrophobicContact CE-CB 4.3Å; M269-C281 PolarHBondContact N-O 3.03Å; M269-C281 PolarHBondContact O-N 3.19Å; C281-I290 HydrophobicContact CB-CG2 3.63Å; C281-L291 CarbonylContact C-O 3.59Å; C281-L291 WeakPolarHBondContact CA-O 3.23Å; C281-L291 VanDerWaalsContact CB-O 3.27Å; C281-L291 WeakPolarHBondContact CB-O 3.33Å; C281-T293 VanDerWaalsContact C-OG1 3.29Å |
| 282 | H | 94.3 | Very high | 92.2 | Very high | 30 Ų | 30 | 35.9 Ų | 35.9 | 14% | 0.139 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 166.6 | 172.1 | 67.2 | -75.7 | 0 | 0 | 0 | 110.2 | L268 I290 L291 T293 F655 | L268-H282 HydrophobicContact CD2-CB 3.82Å; H282-I290 WeakPolarHBondContact O-CA 3.25Å; H282-L291 PolarHBondContact N-O 3.41Å; H282-L291 PolarHBondContact ND1-O 3.42Å; H282-L291 PolarHBondContact O-N 3.44Å; H282-T293 PolarHBondContact N-OG1 2.98Å; H282-T293 PolarHBondContact ND1-OG1 3.36Å; H282-F655 AromaticContact CE1-CE1 3.88Å; H282-F655 AromaticContact CE1-CZ 3.89Å |
| 283 | I | 91 | Very high | 92.1 | Very high | 22 Ų | 22 | 36.3 Ų | 36.3 | 11% | 0.113 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 129.8 | 171.2 | -52.5 | 176.1 | 0 | 0 | 0 | 108 | L219 L233 M269 | L219-I283 HydrophobicContact CD2-CD1 3.83Å; L219-I283 HydrophobicContact CD2-CG1 4.38Å; L233-I283 HydrophobicContact CD2-CD1 3.52Å; L233-I283 HydrophobicContact CD2-CG1 4.27Å; M269-I283 HydrophobicContact CE-CG1 3.64Å; M269-I283 HydrophobicContact SD-CG1 4.37Å |
| 284 | D | 88.5 | Confident | 92.1 | Very high | 34 Ų | 34 | 36.8 Ų | 36.8 | 18% | 0.182 | 21% | 0.211 | C | C | . | . | trans | -73.8 | 125 | 164.5 | 170.9 | 46.4 | 0 | 0 | 0 | 110 | S286 T287 G288 A289 L291 | D284-S286 VanDerWaalsContact C-N 3.25Å; D284-S286 PolarHBondContact O-N 3.27Å; D284-S286 PolarHBondContact OD1-N 2.92Å; D284-S286 PolarHBondContact OD1-OG 3.4Å; D284-S286 PolarHBondContact OD2-N 3.48Å; D284-S286 PolarHBondContact OD2-OG 3.14Å; D284-T287 WeakPolarHBondContact OD2-CB 3.31Å; D284-T287 PolarHBondContact OD2-N 3.34Å; D284-T287 PolarHBondContact OD2-OG1 3.25Å; D284-G288 WeakPolarHBondContact O-CA 3.43Å; D284-G288 PolarHBondContact O-N 2.86Å; D284-A289 PolarHBondContact N-O 3.3Å; D284-L291 HydrophobicContact CB-CD1 3.87Å; D284-L291 HydrophobicContact CB-CG 4.25Å | ||
| 285 | D | 82.1 | Confident | 92 | Very high | 76 Ų | 76 | 36 Ų | 36 | 41% | 0.406 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -12.1 | -177.3 | -64.3 | -55.6 | 0 | 0 | 0 | 113.2 | R267 R622 | R267-D285 IonicContact CZ-OD1 3.17Å; R267-D285 VanDerWaalsContact CZ-OD1 3.23Å; R267-D285 IonicContact NH1-OD1 3.99Å; R267-D285 PolarHBondContact NH1-OD1 3.06Å; R267-D285 IonicContact NH1-OD2 2.66Å; R267-D285 PolarHBondContact NH1-OD2 3.46Å; R267-D285 VanDerWaalsContact NH1-OD2 3.13Å; R267-D285 IonicContact NH2-OD1 2.7Å; R267-D285 PolarHBondContact NH2-OD1 3.31Å; D285-R622 IonicContact OD2-CZ 2.83Å; D285-R622 IonicContact OD2-NH1 3.09Å; D285-R622 PolarHBondContact OD2-NH1 3.17Å; D285-R622 IonicContact OD2-NH2 3.8Å; D285-R622 PolarHBondContact OD2-NH2 3.3Å |
| 286 | S | 83.2 | Confident | 92 | Very high | 101 Ų | 101 | 33.8 Ų | 33.8 | 71% | 0.706 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -34.6 | 178.8 | 82 | 0 | 0 | 0 | 0 | 113.8 | D284 | D284-S286 VanDerWaalsContact C-N 3.25Å; D284-S286 PolarHBondContact O-N 3.27Å; D284-S286 PolarHBondContact OD1-N 2.92Å; D284-S286 PolarHBondContact OD1-OG 3.4Å; D284-S286 PolarHBondContact OD2-N 3.48Å; D284-S286 PolarHBondContact OD2-OG 3.14Å |
| 287 | T | 86 | Confident | 91.5 | Very high | 50 Ų | 50 | 34.4 Ų | 34.4 | 31% | 0.307 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | -15.7 | -177.1 | 59.3 | 0 | 0 | 0 | 0 | 114 | Q188 D284 A289 | Q188-T287 PolarHBondContact N-O 3.04Å; D284-T287 WeakPolarHBondContact OD2-CB 3.31Å; D284-T287 PolarHBondContact OD2-N 3.34Å; D284-T287 PolarHBondContact OD2-OG1 3.25Å; T287-A289 PolarHBondContact O-N 2.79Å; T287-A289 VanDerWaalsContact OG1-CB 3.28Å; T287-A289 WeakPolarHBondContact OG1-CB 3.41Å; T287-A289 PolarHBondContact OG1-N 3.2Å |
| 288 | G | 84.5 | Confident | 90.9 | Very high | 4 Ų | 4 | 34.3 Ų | 34.3 | 4% | 0.041 | 19% | 0.187 | C | C | . | . | trans | 66.6 | 8.8 | -167.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | I249 D284 | I249-G288 WeakPolarHBondContact CD1-O 3.5Å; D284-G288 WeakPolarHBondContact O-CA 3.43Å; D284-G288 PolarHBondContact O-N 2.86Å | ||
| 289 | A | 88.8 | Confident | 89.5 | Confident | 17 Ų | 17 | 37.7 Ų | 37.7 | 14% | 0.14 | 21% | 0.211 | C | C | . | . | trans | -71.4 | 150.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | D187 D284 T287 | D187-A289 HydrophobicContact CB-CB 3.83Å; D284-A289 PolarHBondContact N-O 3.3Å; T287-A289 PolarHBondContact O-N 2.79Å; T287-A289 VanDerWaalsContact OG1-CB 3.28Å; T287-A289 WeakPolarHBondContact OG1-CB 3.41Å; T287-A289 PolarHBondContact OG1-N 3.2Å | ||
| 290 | I | 94.1 | Very high | 87.6 | Confident | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.015 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 121.7 | 173.5 | -58.4 | 177.1 | 0 | 0 | 0 | 109 | L233 I249 V251 P252 M269 C281 H282 | L233-I290 HydrophobicContact CB-CD1 3.83Å; I249-I290 HydrophobicContact CB-CD1 4.23Å; I249-I290 HydrophobicContact CG2-CD1 4.02Å; I249-I290 HydrophobicContact CG2-CG1 3.92Å; I249-I290 WeakPolarHBondContact O-CD1 3.37Å; V251-I290 HydrophobicContact CB-CG2 4.42Å; V251-I290 HydrophobicContact CG1-CG2 3.97Å; V251-I290 HydrophobicContact CG2-CD1 3.82Å; V251-I290 HydrophobicContact CG2-CG2 4.22Å; P252-I290 WeakPolarHBondContact CD-O 3.33Å; P252-I290 VanDerWaalsContact CG-O 3.23Å; P252-I290 WeakPolarHBondContact CG-O 3.16Å; M269-I290 HydrophobicContact CE-CB 4.4Å; M269-I290 HydrophobicContact CE-CD1 4.31Å; M269-I290 HydrophobicContact CE-CG1 4.08Å; M269-I290 HydrophobicContact CE-CG2 3.63Å; M269-I290 HydrophobicContact SD-CD1 4.37Å; C281-I290 HydrophobicContact CB-CG2 3.63Å; H282-I290 WeakPolarHBondContact O-CA 3.25Å |
| 291 | L | 94.4 | Very high | 85.9 | Confident | 79 Ų | 79 | 41.1 Ų | 41.1 | 41% | 0.414 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 142.6 | -179.2 | -60.9 | -176.5 | 0 | 0 | 0 | 111.3 | C281 H282 D284 T293 | C281-L291 CarbonylContact C-O 3.59Å; C281-L291 WeakPolarHBondContact CA-O 3.23Å; C281-L291 VanDerWaalsContact CB-O 3.27Å; C281-L291 WeakPolarHBondContact CB-O 3.33Å; H282-L291 PolarHBondContact N-O 3.41Å; H282-L291 PolarHBondContact ND1-O 3.42Å; H282-L291 PolarHBondContact O-N 3.44Å; D284-L291 HydrophobicContact CB-CD1 3.87Å; D284-L291 HydrophobicContact CB-CG 4.25Å; L291-T293 PolarHBondContact O-N 2.95Å |
| 292 | L | 95.6 | Very high | 84 | Confident | 90 Ų | 90 | 45.2 Ų | 45.2 | 47% | 0.471 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 124.6 | 173.2 | -177.4 | 62.6 | 0 | 0 | 0 | 110.2 | Y279 Y294 | Y279-L292 HydrophobicContact CD1-CD1 3.79Å; Y279-L292 HydrophobicContact CD1-CD2 4.41Å; L292-Y294 WeakPolarHBondContact CD1-O 3.49Å |
| 293 | T | 95.4 | Very high | 82.6 | Confident | 9 Ų | 9 | 47.2 Ų | 47.2 | 6% | 0.055 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | -51.3 | 176.7 | -48.9 | 0 | 0 | 0 | 0 | 110.7 | V280 C281 H282 L291 F340 F655 R683 | V280-T293 WeakPolarHBondContact O-CA 3.28Å; V280-T293 WeakPolarHBondContact O-CB 3.3Å; V280-T293 PolarHBondContact O-N 3.27Å; V280-T293 PolarHBondContact O-OG1 3.03Å; C281-T293 VanDerWaalsContact C-OG1 3.29Å; H282-T293 PolarHBondContact N-OG1 2.98Å; H282-T293 PolarHBondContact ND1-OG1 3.36Å; L291-T293 PolarHBondContact O-N 2.95Å; T293-F340 HydrophobicContact CG2-CD1 3.85Å; T293-F340 HydrophobicContact CG2-CE1 4.26Å; T293-F655 HydrophobicContact CG2-CD1 3.59Å; T293-F655 HydrophobicContact CG2-CE1 3.66Å; T293-R683 PolarHBondContact O-NH2 3.22Å |
| 294 | Y | 94.9 | Very high | 81.6 | Confident | 12 Ų | 12 | 49.1 Ų | 49.1 | 5% | 0.047 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 160.3 | 173.5 | 65 | -87.2 | 0 | 0 | 0 | 111.4 | V280 L292 A296 S338 V339 | V280-Y294 HydrophobicContact CB-CD1 3.97Å; V280-Y294 HydrophobicContact CB-CD2 4.42Å; V280-Y294 HydrophobicContact CB-CE1 3.54Å; V280-Y294 HydrophobicContact CB-CE2 4.05Å; V280-Y294 HydrophobicContact CB-CG 4.4Å; V280-Y294 HydrophobicContact CG1-CD1 4.3Å; V280-Y294 HydrophobicContact CG1-CE1 3.62Å; V280-Y294 HydrophobicContact CG2-CD2 4.48Å; V280-Y294 HydrophobicContact CG2-CE1 3.98Å; V280-Y294 HydrophobicContact CG2-CE2 3.75Å; V280-Y294 VanDerWaalsContact CG2-CZ 3.48Å; V280-Y294 PolarHBondContact N-O 3.26Å; V280-Y294 PolarHBondContact O-N 3.45Å; V280-Y294 VanDerWaalsContact O-N 3.16Å; L292-Y294 WeakPolarHBondContact CD1-O 3.49Å; Y294-A296 HydrophobicContact CD2-CB 4.32Å; Y294-A296 HydrophobicContact CE2-CB 4.06Å; Y294-S338 PolarHBondContact OH-O 2.71Å; Y294-V339 VanDerWaalsContact CE1-O 3.28Å; Y294-V339 WeakPolarHBondContact CE1-O 3.37Å; Y294-V339 PolarHBondContact OH-O 2.83Å |
| 295 | K | 94.3 | Very high | 80.8 | Confident | 81 Ų | 81 | 53.2 Ų | 53.2 | 35% | 0.352 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 117.1 | 167.8 | -173 | -163.4 | -175.7 | -160.6 | 0 | 108.3 | V278 Y279 D297 | V278-K295 CarbonylContact O-C 3.53Å; Y279-K295 HydrophobicContact CD1-CG 4.34Å; Y279-K295 HydrophobicContact CE1-CD 4.3Å; Y279-K295 HydrophobicContact CE1-CG 4.08Å; K295-D297 HydrophobicContact CD-CB 4.24Å; K295-D297 WeakPolarHBondContact CE-OD2 3.22Å; K295-D297 HydrophobicContact CG-CB 4.42Å; K295-D297 IonicContact NZ-OD2 2.8Å; K295-D297 PolarHBondContact NZ-OD2 3.49Å; K295-D297 PolarHBondContact O-N 2.9Å |
| 296 | A | 90.6 | Very high | 80.2 | Confident | 5 Ų | 5 | 52.2 Ų | 52.2 | 4% | 0.041 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 110.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | V278 Y294 W337 | V278-A296 HydrophobicContact CB-CB 4.15Å; V278-A296 PolarHBondContact N-O 3.3Å; V278-A296 PolarHBondContact O-N 3.09Å; Y294-A296 HydrophobicContact CD2-CB 4.32Å; Y294-A296 HydrophobicContact CE2-CB 4.06Å; A296-W337 HydrophobicContact CB-CD2 4.12Å; A296-W337 HydrophobicContact CB-CG 4.35Å; A296-W337 HydrophobicContact CB-CZ2 4.04Å |
| 297 | D | 82.1 | Confident | 79.8 | Confident | 45 Ų | 45 | 48.2 Ų | 48.2 | 24% | 0.241 | 29% | 0.289 | C | S | . | . | trans | -134.6 | 125.7 | -176 | -166.8 | -32.7 | 0 | 0 | 0 | 109.8 | K295 S299 T300 | K295-D297 HydrophobicContact CD-CB 4.24Å; K295-D297 WeakPolarHBondContact CE-OD2 3.22Å; K295-D297 HydrophobicContact CG-CB 4.42Å; K295-D297 IonicContact NZ-OD2 2.8Å; K295-D297 PolarHBondContact NZ-OD2 3.49Å; K295-D297 PolarHBondContact O-N 2.9Å; D297-S299 VanDerWaalsContact C-N 3.32Å; D297-S299 VanDerWaalsContact OD1-CB 3.26Å; D297-S299 WeakPolarHBondContact OD1-CB 3.21Å; D297-S299 PolarHBondContact OD1-N 3.05Å; D297-S299 PolarHBondContact OD1-OG 2.94Å; D297-S299 PolarHBondContact OD2-OG 2.96Å; D297-T300 PolarHBondContact O-OG1 2.7Å; D297-T300 VanDerWaalsContact O-OG1 3.09Å | ||
| 298 | L | 81 | Confident | 79.3 | Confident | 9 Ų | 9 | 54.3 Ų | 54.3 | 5% | 0.047 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -84 | -3.3 | -178.5 | -65.9 | 171.8 | 0 | 0 | 0 | 113.2 | T300 V301 T307 L310 W329 W337 F346 | L298-T300 PolarHBondContact O-N 3Å; L298-V301 HydrophobicContact CB-CG2 4.3Å; L298-V301 HydrophobicContact CD2-CG2 4.04Å; L298-V301 VanDerWaalsContact O-CB 3.31Å; L298-V301 WeakPolarHBondContact O-CB 3.07Å; L298-V301 WeakPolarHBondContact O-CG2 3.48Å; L298-V301 PolarHBondContact O-N 3.32Å; L298-T307 HydrophobicContact CB-CG2 3.6Å; L298-L310 HydrophobicContact CD1-CD1 3.52Å; L298-W329 HydrophobicContact CD1-CH2 3.62Å; L298-W329 HydrophobicContact CD1-CZ2 3.51Å; L298-W329 HydrophobicContact CD1-CZ3 4.32Å; L298-W329 HydrophobicContact CG-CZ2 4.43Å; L298-W337 HydrophobicContact CD2-CH2 4.17Å; L298-W337 HydrophobicContact CD2-CZ2 3.75Å; L298-W337 HydrophobicContact CG-CH2 4.41Å; L298-W337 HydrophobicContact CG-CZ2 4.16Å; L298-F346 HydrophobicContact CD1-CD2 3.74Å; L298-F346 HydrophobicContact CD1-CE1 4.43Å; L298-F346 HydrophobicContact CD1-CE2 3.46Å; L298-F346 VanDerWaalsContact CD1-CE2 3.46Å; L298-F346 HydrophobicContact CD1-CG 4.35Å; L298-F346 HydrophobicContact CD1-CZ 3.84Å; L298-F346 HydrophobicContact CD2-CB 4.27Å; L298-F346 HydrophobicContact CD2-CD1 4.36Å; L298-F346 HydrophobicContact CD2-CD2 4.05Å; L298-F346 HydrophobicContact CD2-CG 3.96Å |
| 299 | S | 66.7 | Low | 79.1 | Confident | 74 Ų | 74 | 60.6 Ų | 60.6 | 52% | 0.517 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -58.8 | -15.8 | 172.1 | 54.4 | 0 | 0 | 0 | 0 | 114.1 | D297 V301 | D297-S299 VanDerWaalsContact C-N 3.32Å; D297-S299 VanDerWaalsContact OD1-CB 3.26Å; D297-S299 WeakPolarHBondContact OD1-CB 3.21Å; D297-S299 PolarHBondContact OD1-N 3.05Å; D297-S299 PolarHBondContact OD1-OG 2.94Å; D297-S299 PolarHBondContact OD2-OG 2.96Å; S299-V301 VanDerWaalsContact C-N 3.34Å |
| 300 | T | 58.5 | Low | 79 | Confident | 115 Ų | 115 | 60.1 Ų | 60.1 | 71% | 0.706 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -79.1 | -10.4 | 172.3 | 56.1 | 0 | 0 | 0 | 0 | 114.3 | D297 L298 G302 | D297-T300 PolarHBondContact O-OG1 2.7Å; D297-T300 VanDerWaalsContact O-OG1 3.09Å; L298-T300 PolarHBondContact O-N 3Å; T300-G302 PolarHBondContact O-N 3.44Å |
| 301 | V | 60.9 | Low | 78.8 | Confident | 7 Ų | 7 | 61.1 Ų | 61.1 | 4% | 0.042 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -70.3 | 126.7 | 171.8 | -179.7 | 0 | 0 | 0 | 0 | 108.2 | L298 S299 N303 T307 T740 | L298-V301 HydrophobicContact CB-CG2 4.3Å; L298-V301 HydrophobicContact CD2-CG2 4.04Å; L298-V301 VanDerWaalsContact O-CB 3.31Å; L298-V301 WeakPolarHBondContact O-CB 3.07Å; L298-V301 WeakPolarHBondContact O-CG2 3.48Å; L298-V301 PolarHBondContact O-N 3.32Å; S299-V301 VanDerWaalsContact C-N 3.34Å; V301-N303 CarbonylContact O-C 3.55Å; V301-N303 PolarHBondContact O-N 2.93Å; V301-T307 HydrophobicContact CB-CG2 4.44Å; V301-T740 HydrophobicContact CG1-CG2 4.18Å |
| 302 | G | 56.8 | Low | 78.8 | Confident | 86 Ų | 86 | 57.8 Ų | 57.8 | 89% | 0.887 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -58.9 | -6.3 | -171 | 0 | 0 | 0 | 0 | 0 | 116.7 | T300 | T300-G302 PolarHBondContact O-N 3.44Š|
| 303 | N | 65.9 | Low | 78.8 | Confident | 73 Ų | 73 | 53.5 Ų | 53.5 | 39% | 0.39 | 30% | 0.303 | S | S | . | . | trans | -119.3 | 95.9 | 167.1 | -172.2 | -17.8 | 0 | 0 | 0 | 110.6 | V301 E305 L306 | V301-N303 CarbonylContact O-C 3.55Å; V301-N303 PolarHBondContact O-N 2.93Å; N303-E305 PolarHBondContact O-N 2.95Å; N303-E305 WeakPolarHBondContact OD1-CB 3.22Å; N303-E305 PolarHBondContact OD1-N 3.39Å; N303-L306 HydrophobicContact CB-CD1 4Å; N303-L306 HydrophobicContact CB-CG 4.13Å; N303-L306 PolarHBondContact O-N 3.48Å | ||
| 304 | P | 69.8 | Low | 78.7 | Confident | 62 Ų | 62 | 56 Ų | 56 | 40% | 0.403 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -9 | 179.6 | 27.3 | -34.6 | 0 | 0 | 0 | 114.3 | L306 T307 R308 | P304-L306 VanDerWaalsContact C-N 3.35Å; P304-T307 PolarHBondContact O-N 3.4Å; P304-T307 PolarHBondContact O-OG1 3.23Å; P304-R308 WeakPolarHBondContact O-CG 3.44Å; P304-R308 PolarHBondContact O-N 3.45Å |
| 305 | E | 71.6 | Confident | 78.8 | Confident | 120 Ų | 120 | 56.7 Ų | 56.7 | 56% | 0.561 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -72.9 | -30.2 | 175.3 | -55 | -154.9 | 141.6 | 0 | 0 | 112.4 | N303 T307 H309 | N303-E305 PolarHBondContact O-N 2.95Å; N303-E305 WeakPolarHBondContact OD1-CB 3.22Å; N303-E305 PolarHBondContact OD1-N 3.39Å; E305-T307 PolarHBondContact O-N 3.41Å; E305-H309 PolarHBondContact O-ND1 3.41Å |
| 306 | L | 69 | Low | 79 | Confident | 54 Ų | 54 | 52.9 Ų | 52.9 | 28% | 0.283 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.7 | -26.3 | 175.2 | -63.4 | 178 | 0 | 0 | 0 | 112.4 | N303 P304 P348 | N303-L306 HydrophobicContact CB-CD1 4Å; N303-L306 HydrophobicContact CB-CG 4.13Å; N303-L306 PolarHBondContact O-N 3.48Å; P304-L306 VanDerWaalsContact C-N 3.35Å; L306-P348 HydrophobicContact CD2-CG 4.42Å |
| 307 | T | 74 | Confident | 79.3 | Confident | 18 Ų | 18 | 53.7 Ų | 53.7 | 11% | 0.11 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -104.2 | -26.4 | -169.4 | 60.4 | 0 | 0 | 0 | 0 | 113.2 | L298 V301 P304 E305 H309 L310 | L298-T307 HydrophobicContact CB-CG2 3.6Å; V301-T307 HydrophobicContact CB-CG2 4.44Å; P304-T307 PolarHBondContact O-N 3.4Å; P304-T307 PolarHBondContact O-OG1 3.23Å; E305-T307 PolarHBondContact O-N 3.41Å; T307-H309 PolarHBondContact O-N 3.41Å; T307-H309 VanDerWaalsContact O-N 3.1Å; T307-L310 HydrophobicContact CG2-CD1 4.38Å; T307-L310 PolarHBondContact O-N 3.02Å |
| 308 | R | 76.2 | Confident | 79.9 | Confident | 178 Ų | 178 | 52 Ų | 52 | 67% | 0.672 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -53.7 | -28 | 174 | -81.9 | 174.4 | -178.4 | 165.5 | 2.6 | 114.6 | P304 | P304-R308 WeakPolarHBondContact O-CG 3.44Å; P304-R308 PolarHBondContact O-N 3.45Å |
| 309 | H | 80.6 | Confident | 80.5 | Confident | 136 Ų | 136 | 51.8 Ų | 51.8 | 63% | 0.63 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | -4.4 | -169.9 | -60.3 | 99.7 | 0 | 0 | 0 | 114.6 | E305 T307 G311 S331 | E305-H309 PolarHBondContact O-ND1 3.41Å; T307-H309 PolarHBondContact O-N 3.41Å; T307-H309 VanDerWaalsContact O-N 3.1Å; H309-G311 VanDerWaalsContact C-N 3.29Å; H309-G311 PolarHBondContact O-N 3.11Å; H309-S331 WeakPolarHBondContact O-CB 3.17Å; H309-S331 PolarHBondContact O-OG 2.84Å |
| 310 | L | 86.6 | Confident | 81.7 | Confident | 7 Ų | 7 | 50.9 Ų | 50.9 | 4% | 0.037 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -63.3 | -33.1 | -174 | -64.1 | 172.4 | 0 | 0 | 0 | 113.3 | L298 T307 W329 K330 S331 S332 F346 | L298-L310 HydrophobicContact CD1-CD1 3.52Å; T307-L310 HydrophobicContact CG2-CD1 4.38Å; T307-L310 PolarHBondContact O-N 3.02Å; L310-W329 HydrophobicContact CB-CB 3.88Å; L310-W329 HydrophobicContact CB-CD2 4.38Å; L310-W329 HydrophobicContact CB-CG 3.89Å; L310-W329 HydrophobicContact CD1-CD2 4.22Å; L310-W329 HydrophobicContact CD1-CE3 4.46Å; L310-W329 HydrophobicContact CD2-CE3 4.4Å; L310-W329 VanDerWaalsContact O-CB 3.27Å; L310-W329 WeakPolarHBondContact O-CB 3.41Å; L310-K330 PolarHBondContact O-N 3.16Å; L310-S331 VanDerWaalsContact O-CB 3.27Å; L310-S331 WeakPolarHBondContact O-CB 3.37Å; L310-S331 PolarHBondContact O-N 3.42Å; L310-S331 PolarHBondContact O-OG 3.36Å; L310-S332 VanDerWaalsContact CD2-O 3.3Å; L310-S332 WeakPolarHBondContact CD2-O 3.32Å; L310-F346 HydrophobicContact CD1-CE2 4.21Å; L310-F346 HydrophobicContact CD1-CZ 3.98Å; L310-F346 HydrophobicContact CD2-CE2 4.35Å; L310-F346 HydrophobicContact CD2-CZ 4.04Å |
| 311 | G | 90.1 | Very high | 82.9 | Confident | 24 Ų | 24 | 47 Ų | 47 | 25% | 0.247 | 26% | 0.263 | C | S | . | . | trans | 70.2 | -179.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S276 H309 W329 | S276-G311 VanDerWaalsContact CB-O 3.25Å; S276-G311 WeakPolarHBondContact CB-O 3.31Å; S276-G311 PolarHBondContact OG-O 3.41Å; H309-G311 VanDerWaalsContact C-N 3.29Å; H309-G311 PolarHBondContact O-N 3.11Å; G311-W329 VanDerWaalsContact O-CD1 3.28Å | ||
| 312 | G | 93.4 | Very high | 84.4 | Confident | 8 Ų | 8 | 47 Ų | 47 | 8% | 0.082 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -56.3 | 153.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L274 Q314 K330 | L274-G312 WeakPolarHBondContact O-CA 3.41Å; L274-G312 PolarHBondContact O-N 3.43Å; G312-Q314 PolarHBondContact O-N 3.21Å; G312-K330 WeakPolarHBondContact O-CB 3.36Å; G312-K330 VanDerWaalsContact O-CG 3.29Å; G312-K330 WeakPolarHBondContact O-CG 3.34Å; G312-K330 PolarHBondContact O-N 3.06Å |
| 313 | V | 95.9 | Very high | 85.9 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.9 | 132.1 | 175.5 | -179.7 | 0 | 0 | 0 | 0 | 109.4 | C258 C273 V278 L316 V327 | C258-V313 PolarHBondContact SG-O 3.48Å; C273-V313 PolarHBondContact O-N 2.8Å; V278-V313 HydrophobicContact CG2-CG2 3.84Å; V313-L316 HydrophobicContact CG1-CD2 4.21Å; V313-V327 HydrophobicContact CG1-CG1 3.63Å; V313-V327 HydrophobicContact CG2-CG1 4.18Å |
| 314 | Q | 94.8 | Very high | 87.2 | Confident | 62 Ų | 62 | 41.7 Ų | 41.7 | 29% | 0.29 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | -46.9 | -177.4 | 172.4 | 56.7 | 25.8 | 0 | 0 | 110.6 | G312 T328 K330 I357 I358 | G312-Q314 PolarHBondContact O-N 3.21Å; Q314-T328 PolarHBondContact N-O 3.25Å; Q314-K330 HydrophobicContact CB-CG 4.06Å; Q314-I357 WeakPolarHBondContact CG-O 3.06Å; Q314-I358 PolarHBondContact NE2-O 3.29Å |
| 315 | Y | 96.1 | Very high | 88.5 | Confident | 25 Ų | 25 | 38.8 Ų | 38.8 | 10% | 0.098 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 154.1 | 171.7 | -172.6 | -130.9 | 0 | 0 | 0 | 111 | D317 V327 T328 R359 F360 | Y315-D317 HydrophobicContact CE1-CB 4.01Å; Y315-V327 WeakPolarHBondContact O-CA 3.47Å; Y315-T328 PolarHBondContact N-O 2.73Å; Y315-T328 PolarHBondContact O-N 3.13Å; Y315-R359 VanDerWaalsContact CD2-NH1 3.3Å; Y315-R359 VanDerWaalsContact CE2-NH1 3.34Å; Y315-R359 VanDerWaalsContact CE2-NH2 3.26Å; Y315-R359 PolarHBondContact OH-NH2 2.96Å; Y315-F360 AromaticContact CD1-CD1 3.68Å; Y315-F360 HydrophobicContact CD1-CD1 3.68Å; Y315-F360 AromaticContact CD1-CE1 3.62Å; Y315-F360 HydrophobicContact CD1-CE1 3.62Å; Y315-F360 HydrophobicContact CD1-CG 4.17Å; Y315-F360 HydrophobicContact CD1-CZ 4.08Å; Y315-F360 HydrophobicContact CE1-CD1 4.37Å; Y315-F360 HydrophobicContact CE1-CD2 4.48Å; Y315-F360 HydrophobicContact CE1-CE1 4.24Å; Y315-F360 HydrophobicContact CE1-CE2 4.38Å; Y315-F360 HydrophobicContact CE1-CG 4.48Å; Y315-F360 HydrophobicContact CE1-CZ 4.25Å; Y315-F360 VanDerWaalsContact CE1-O 3.28Å; Y315-F360 WeakPolarHBondContact CE1-O 3.46Å; Y315-F360 HydrophobicContact CG-CE1 4.39Å |
| 316 | L | 97.5 | Very high | 89.7 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 143.7 | 173.1 | 69.5 | 95 | 0 | 0 | 0 | 109.7 | A270 V278 V313 L325 V326 V327 | A270-L316 HydrophobicContact CB-CD1 3.65Å; V278-L316 HydrophobicContact CG1-CD2 4.46Å; V313-L316 HydrophobicContact CG1-CD2 4.21Å; L316-L325 HydrophobicContact CB-CD1 4.39Å; L316-L325 HydrophobicContact CD1-CD1 3.85Å; L316-V326 CarbonylContact C-O 3.56Å; L316-V326 WeakPolarHBondContact CA-O 3.4Å; L316-V327 HydrophobicContact CB-CB 4.48Å; L316-V327 HydrophobicContact CB-CG1 4.34Å; L316-V327 HydrophobicContact CB-CG2 4.12Å |
| 317 | D | 97.2 | Very high | 91 | Very high | 23 Ų | 23 | 30.5 Ų | 30.5 | 12% | 0.123 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 151.1 | 174.8 | -167.4 | 38.3 | 0 | 0 | 0 | 112.8 | S261 Y315 V326 F360 W362 | S261-D317 PolarHBondContact OG-OD1 3.24Å; Y315-D317 HydrophobicContact CE1-CB 4.01Å; D317-V326 PolarHBondContact N-O 3.38Å; D317-V326 PolarHBondContact O-N 3.29Å; D317-F360 HydrophobicContact CB-CE2 3.8Å; D317-F360 HydrophobicContact CB-CZ 3.85Å; D317-W362 PolarHBondContact OD2-NE1 3.35Å |
| 318 | W | 96.1 | Very high | 92 | Very high | 10 Ų | 10 | 29.6 Ų | 29.6 | 4% | 0.038 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 139.2 | 176.9 | -67.3 | 96.1 | 0 | 0 | 0 | 110.9 | S261 A262 N263 L268 A270 V280 L325 W362 | S261-W318 PolarHBondContact O-NE1 3.31Å; A262-W318 VanDerWaalsContact C-CD1 3.44Å; N263-W318 HydrophobicContact CB-CD2 3.72Å; N263-W318 HydrophobicContact CB-CE3 4.18Å; N263-W318 HydrophobicContact CB-CG 4.01Å; N263-W318 HydrophobicContact CB-CH2 4.48Å; N263-W318 HydrophobicContact CB-CZ2 4.06Å; N263-W318 WeakPolarHBondContact ND2-CZ3 3.48Å; L268-W318 HydrophobicContact CB-CZ2 4.21Å; L268-W318 HydrophobicContact CD1-CH2 3.95Å; L268-W318 HydrophobicContact CD1-CZ2 4.34Å; A270-W318 HydrophobicContact CB-CZ2 4.08Å; V280-W318 HydrophobicContact CG1-CH2 4.35Å; V280-W318 HydrophobicContact CG1-CZ2 4.07Å; W318-L325 HydrophobicContact CD2-CB 4.12Å; W318-L325 HydrophobicContact CD2-CD1 3.92Å; W318-L325 HydrophobicContact CE3-CB 3.77Å; W318-L325 HydrophobicContact CE3-CD1 4.45Å; W318-L325 HydrophobicContact CG-CD1 4.16Å; W318-L325 HydrophobicContact CH2-CB 3.98Å; W318-L325 HydrophobicContact CH2-CD2 4.46Å; W318-L325 HydrophobicContact CZ2-CB 4.3Å; W318-L325 HydrophobicContact CZ2-CD1 4.32Å; W318-L325 HydrophobicContact CZ2-CD2 4.27Å; W318-L325 HydrophobicContact CZ3-CB 3.7Å; W318-W362 PolarHBondContact O-NE1 2.78Å |
| 319 | S | 93.8 | Very high | 92.9 | Very high | 3 Ų | 3 | 21.2 Ų | 21.2 | 2% | 0.021 | 12% | 0.123 | C | C | . | . | trans | -54.4 | 146.6 | 169 | 50.1 | 0 | 0 | 0 | 0 | 111.6 | S321 G322 S323 G324 W362 | S319-S321 PolarHBondContact O-N 3.42Å; S319-G322 WeakPolarHBondContact O-CA 3.37Å; S319-G322 PolarHBondContact O-N 3.22Å; S319-S323 PolarHBondContact OG-N 2.84Å; S319-G324 PolarHBondContact N-O 3.35Å; S319-G324 PolarHBondContact OG-N 3.19Å; S319-G324 VanDerWaalsContact OG-N 3.08Å; S319-G324 PolarHBondContact OG-O 3.4Å; S319-W362 VanDerWaalsContact CA-CZ2 3.45Å | ||
| 320 | P | 90.2 | Very high | 93.4 | Very high | 55 Ų | 55 | 19.4 Ų | 19.4 | 36% | 0.357 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -24.4 | -177.4 | 12.8 | -25.8 | 0 | 0 | 0 | 115.1 | G322 W362 | P320-G322 VanDerWaalsContact C-N 3.32Å; P320-W362 HydrophobicContact CG-CB 4.29Å |
| 321 | S | 85.4 | Confident | 93.5 | Very high | 35 Ų | 35 | 22 Ų | 22 | 25% | 0.245 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -6.7 | 173.5 | 42.7 | 0 | 0 | 0 | 0 | 114.7 | R265 S319 S323 | R265-S321 WeakPolarHBondContact CD-O 3.49Å; R265-S321 PolarHBondContact NH1-O 2.77Å; S319-S321 PolarHBondContact O-N 3.42Å; S321-S323 PolarHBondContact O-N 3.07Å; S321-S323 PolarHBondContact OG-OG 3.03Å |
| 322 | G | 90.7 | Very high | 93.3 | Very high | 6 Ų | 6 | 21.3 Ų | 21.3 | 6% | 0.062 | 12% | 0.124 | C | C | . | . | S | Bend | trans | 70.4 | 11 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | N263 Y266 S319 P320 V339 | N263-G322 PolarHBondContact ND2-O 2.98Å; Y266-G322 WeakPolarHBondContact CE2-O 3.14Å; S319-G322 WeakPolarHBondContact O-CA 3.37Å; S319-G322 PolarHBondContact O-N 3.22Å; P320-G322 VanDerWaalsContact C-N 3.32Å; G322-V339 WeakPolarHBondContact O-CG2 3.49Å |
| 323 | S | 88.8 | Confident | 93 | Very high | 47 Ų | 47 | 21.1 Ų | 21.1 | 33% | 0.329 | 12% | 0.121 | S | C | . | . | S | Bend | trans | -92.5 | 0.5 | -167.9 | 55.6 | 0 | 0 | 0 | 0 | 114.9 | S319 S321 | S319-S323 PolarHBondContact OG-N 2.84Å; S321-S323 PolarHBondContact O-N 3.07Å; S321-S323 PolarHBondContact OG-OG 3.03Å |
| 324 | G | 93.2 | Very high | 92.8 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.01 | 12% | 0.121 | C | C | . | . | trans | -177.9 | 151.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | S319 W337 | S319-G324 PolarHBondContact N-O 3.35Å; S319-G324 PolarHBondContact OG-N 3.19Å; S319-G324 VanDerWaalsContact OG-N 3.08Å; S319-G324 PolarHBondContact OG-O 3.4Å; G324-W337 CarbonylContact C-O 3.47Å; G324-W337 WeakPolarHBondContact CA-O 3.39Å | ||
| 325 | L | 97.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 131.6 | -178.3 | 176.9 | 65.4 | 0 | 0 | 0 | 109.2 | A270 V278 V280 L316 W318 V327 C336 W337 | A270-L325 HydrophobicContact CB-CD1 4.27Å; A270-L325 HydrophobicContact CB-CD2 4.09Å; V278-L325 HydrophobicContact CG1-CD2 4.06Å; V280-L325 HydrophobicContact CG2-CD2 4.06Å; L316-L325 HydrophobicContact CB-CD1 4.39Å; L316-L325 HydrophobicContact CD1-CD1 3.85Å; W318-L325 HydrophobicContact CD2-CB 4.12Å; W318-L325 HydrophobicContact CD2-CD1 3.92Å; W318-L325 HydrophobicContact CE3-CB 3.77Å; W318-L325 HydrophobicContact CE3-CD1 4.45Å; W318-L325 HydrophobicContact CG-CD1 4.16Å; W318-L325 HydrophobicContact CH2-CB 3.98Å; W318-L325 HydrophobicContact CH2-CD2 4.46Å; W318-L325 HydrophobicContact CZ2-CB 4.3Å; W318-L325 HydrophobicContact CZ2-CD1 4.32Å; W318-L325 HydrophobicContact CZ2-CD2 4.27Å; W318-L325 HydrophobicContact CZ3-CB 3.7Å; L325-V327 HydrophobicContact CD2-CG2 4.31Å; L325-V327 HydrophobicContact CG-CG2 4.14Å; L325-C336 VanDerWaalsContact O-CA 3.26Å; L325-C336 WeakPolarHBondContact O-CA 3.5Å; L325-C336 PolarHBondContact O-SG 3.21Å; L325-W337 PolarHBondContact N-O 3.46Å; L325-W337 PolarHBondContact O-N 2.71Å |
| 326 | V | 96.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 142.5 | 171.5 | 173.7 | 0 | 0 | 0 | 0 | 109.7 | L316 D317 I334 G335 C336 F360 W362 L369 | L316-V326 CarbonylContact C-O 3.56Å; L316-V326 WeakPolarHBondContact CA-O 3.4Å; D317-V326 PolarHBondContact N-O 3.38Å; D317-V326 PolarHBondContact O-N 3.29Å; V326-I334 HydrophobicContact CG1-CD1 3.8Å; V326-I334 HydrophobicContact CG1-CG1 3.88Å; V326-G335 WeakPolarHBondContact CA-O 3.21Å; V326-C336 HydrophobicContact CG2-CB 4.11Å; V326-F360 HydrophobicContact CB-CE1 4.41Å; V326-F360 HydrophobicContact CB-CE2 4.06Å; V326-F360 HydrophobicContact CB-CZ 3.7Å; V326-F360 HydrophobicContact CG1-CD1 4.45Å; V326-F360 HydrophobicContact CG1-CE1 3.83Å; V326-F360 HydrophobicContact CG1-CE2 4.02Å; V326-F360 HydrophobicContact CG1-CZ 3.58Å; V326-W362 HydrophobicContact CB-CH2 4.28Å; V326-W362 HydrophobicContact CB-CZ2 3.99Å; V326-W362 HydrophobicContact CG2-CH2 3.4Å; V326-W362 HydrophobicContact CG2-CZ2 3.61Å; V326-L369 HydrophobicContact CG1-CD2 4.01Å |
| 327 | V | 96.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 139.1 | -177.1 | -170.6 | 0 | 0 | 0 | 0 | 109.4 | V278 V313 Y315 L316 L325 W329 I334 G335 W337 | V278-V327 HydrophobicContact CG2-CG1 3.83Å; V278-V327 HydrophobicContact CG2-CG2 3.99Å; V313-V327 HydrophobicContact CG1-CG1 3.63Å; V313-V327 HydrophobicContact CG2-CG1 4.18Å; Y315-V327 WeakPolarHBondContact O-CA 3.47Å; L316-V327 HydrophobicContact CB-CB 4.48Å; L316-V327 HydrophobicContact CB-CG1 4.34Å; L316-V327 HydrophobicContact CB-CG2 4.12Å; L325-V327 HydrophobicContact CD2-CG2 4.31Å; L325-V327 HydrophobicContact CG-CG2 4.14Å; V327-W329 HydrophobicContact CB-CH2 4.13Å; V327-W329 HydrophobicContact CB-CZ2 4.09Å; V327-W329 HydrophobicContact CG1-CH2 4.26Å; V327-W329 HydrophobicContact CG1-CZ2 3.78Å; V327-I334 WeakPolarHBondContact O-CA 3.4Å; V327-G335 PolarHBondContact N-O 2.86Å; V327-G335 PolarHBondContact O-N 3.41Å; V327-W337 HydrophobicContact CB-CH2 4.47Å; V327-W337 HydrophobicContact CB-CZ3 3.78Å; V327-W337 HydrophobicContact CG2-CE3 3.92Å; V327-W337 HydrophobicContact CG2-CH2 4.35Å; V327-W337 HydrophobicContact CG2-CZ3 3.47Å; V327-W337 VanDerWaalsContact CG2-CZ3 3.47Å |
| 328 | T | 95.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 156.2 | 168.6 | 64.8 | 0 | 0 | 0 | 0 | 110.7 | Q314 Y315 G333 I334 I357 F360 | Q314-T328 PolarHBondContact N-O 3.25Å; Y315-T328 PolarHBondContact N-O 2.73Å; Y315-T328 PolarHBondContact O-N 3.13Å; T328-G333 WeakPolarHBondContact CA-O 3.26Å; T328-I334 HydrophobicContact CG2-CB 4.13Å; T328-I334 HydrophobicContact CG2-CD1 4.07Å; T328-I334 HydrophobicContact CG2-CG1 4.01Å; T328-I357 HydrophobicContact CG2-CB 3.99Å; T328-I357 HydrophobicContact CG2-CD1 4.16Å; T328-I357 HydrophobicContact CG2-CG2 3.99Å; T328-I357 PolarHBondContact OG1-O 2.87Å; T328-F360 HydrophobicContact CG2-CD1 3.77Å; T328-F360 HydrophobicContact CG2-CE1 4.06Å |
| 329 | W | 94 | Very high | 92.1 | Very high | 2 Ų | 2 | 16 Ų | 16 | 1% | 0.008 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 163.8 | -179.5 | -56.6 | -98.9 | 0 | 0 | 0 | 113 | S276 L298 L310 G311 V327 S331 W337 F346 | S276-W329 PolarHBondContact O-NE1 2.88Å; L298-W329 HydrophobicContact CD1-CH2 3.62Å; L298-W329 HydrophobicContact CD1-CZ2 3.51Å; L298-W329 HydrophobicContact CD1-CZ3 4.32Å; L298-W329 HydrophobicContact CG-CZ2 4.43Å; L310-W329 HydrophobicContact CB-CB 3.88Å; L310-W329 HydrophobicContact CB-CD2 4.38Å; L310-W329 HydrophobicContact CB-CG 3.89Å; L310-W329 HydrophobicContact CD1-CD2 4.22Å; L310-W329 HydrophobicContact CD1-CE3 4.46Å; L310-W329 HydrophobicContact CD2-CE3 4.4Å; L310-W329 VanDerWaalsContact O-CB 3.27Å; L310-W329 WeakPolarHBondContact O-CB 3.41Å; G311-W329 VanDerWaalsContact O-CD1 3.28Å; V327-W329 HydrophobicContact CB-CH2 4.13Å; V327-W329 HydrophobicContact CB-CZ2 4.09Å; V327-W329 HydrophobicContact CG1-CH2 4.26Å; V327-W329 HydrophobicContact CG1-CZ2 3.78Å; W329-S331 PolarHBondContact O-N 3.35Å; W329-W337 AromaticContact CH2-CH2 3.71Å; W329-W337 HydrophobicContact CH2-CH2 3.71Å; W329-W337 HydrophobicContact CH2-CZ3 4.17Å; W329-W337 AromaticContact CZ2-CH2 3.8Å; W329-W337 HydrophobicContact CZ2-CH2 3.8Å; W329-W337 HydrophobicContact CZ2-CZ3 4.44Å; W329-F346 HydrophobicContact CE3-CE2 4.29Å; W329-F346 AromaticContact CH2-CD2 3.98Å; W329-F346 HydrophobicContact CH2-CD2 3.98Å; W329-F346 AromaticContact CH2-CE2 3.93Å; W329-F346 HydrophobicContact CH2-CE2 3.93Å; W329-F346 AromaticContact CZ3-CD2 3.92Å; W329-F346 HydrophobicContact CZ3-CD2 3.92Å; W329-F346 AromaticContact CZ3-CE2 3.59Å; W329-F346 HydrophobicContact CZ3-CE2 3.59Å |
| 330 | K | 92.4 | Very high | 92.2 | Very high | 98 Ų | 98 | 16 Ų | 16 | 43% | 0.426 | 10% | 0.098 | S | C | . | . | S | Bend | trans | -66.3 | -31.2 | -169.4 | -81.8 | 172.5 | -178.4 | -179.5 | 0 | 115.1 | L310 G312 Q314 P356 | L310-K330 PolarHBondContact O-N 3.16Å; G312-K330 WeakPolarHBondContact O-CB 3.36Å; G312-K330 VanDerWaalsContact O-CG 3.29Å; G312-K330 WeakPolarHBondContact O-CG 3.34Å; G312-K330 PolarHBondContact O-N 3.06Å; Q314-K330 HydrophobicContact CB-CG 4.06Å; K330-P356 WeakPolarHBondContact O-CB 3.48Å |
| 331 | S | 87.9 | Confident | 92.3 | Very high | 61 Ų | 61 | 13.6 Ų | 13.6 | 43% | 0.427 | 8% | 0.082 | S | C | . | . | S | Bend | trans | -92.4 | -48 | -179.3 | -52 | 0 | 0 | 0 | 0 | 111.8 | H309 L310 W329 | H309-S331 WeakPolarHBondContact O-CB 3.17Å; H309-S331 PolarHBondContact O-OG 2.84Å; L310-S331 VanDerWaalsContact O-CB 3.27Å; L310-S331 WeakPolarHBondContact O-CB 3.37Å; L310-S331 PolarHBondContact O-N 3.42Å; L310-S331 PolarHBondContact O-OG 3.36Å; W329-S331 PolarHBondContact O-N 3.35Å |
| 332 | S | 85.6 | Confident | 92.5 | Very high | 10 Ų | 10 | 13 Ų | 13 | 7% | 0.07 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -170.8 | 177.4 | 173.1 | -141.1 | 0 | 0 | 0 | 0 | 110.9 | L310 P348 K354 | L310-S332 VanDerWaalsContact CD2-O 3.3Å; L310-S332 WeakPolarHBondContact CD2-O 3.32Å; S332-P348 WeakPolarHBondContact CB-O 3.31Å; S332-P348 PolarHBondContact OG-O 3.31Å; S332-K354 VanDerWaalsContact OG-C 3.24Å; S332-K354 WeakPolarHBondContact OG-CA 3.46Å; S332-K354 PolarHBondContact OG-O 2.57Å |
| 333 | G | 88.1 | Confident | 92.5 | Very high | 3 Ų | 3 | 17 Ų | 17 | 3% | 0.031 | 9% | 0.092 | C | C | . | . | trans | 95.7 | 153.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | T328 K347 P348 | T328-G333 WeakPolarHBondContact CA-O 3.26Å; G333-K347 WeakPolarHBondContact CA-O 3.47Å; G333-P348 WeakPolarHBondContact CA-O 3.31Å; G333-P348 PolarHBondContact N-O 3.09Å | ||
| 334 | I | 91.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 139.9 | 175.9 | -177.6 | 164.3 | 0 | 0 | 0 | 110.3 | V326 V327 T328 W345 F346 K347 L350 I357 L369 M371 | V326-I334 HydrophobicContact CG1-CD1 3.8Å; V326-I334 HydrophobicContact CG1-CG1 3.88Å; V327-I334 WeakPolarHBondContact O-CA 3.4Å; T328-I334 HydrophobicContact CG2-CB 4.13Å; T328-I334 HydrophobicContact CG2-CD1 4.07Å; T328-I334 HydrophobicContact CG2-CG1 4.01Å; I334-W345 HydrophobicContact CB-CZ3 4.47Å; I334-W345 HydrophobicContact CD1-CH2 4.09Å; I334-W345 HydrophobicContact CG1-CH2 3.94Å; I334-W345 HydrophobicContact CG1-CZ3 4.03Å; I334-W345 HydrophobicContact CG2-CH2 4.49Å; I334-W345 HydrophobicContact CG2-CZ3 3.9Å; I334-F346 WeakPolarHBondContact O-CD2 3.43Å; I334-K347 HydrophobicContact CG2-CB 4.38Å; I334-K347 PolarHBondContact N-O 3.02Å; I334-K347 PolarHBondContact O-N 3.32Å; I334-L350 HydrophobicContact CG2-CB 3.84Å; I334-L350 HydrophobicContact CG2-CD1 3.99Å; I334-L350 HydrophobicContact CG2-CD2 3.96Å; I334-L350 HydrophobicContact CG2-CG 4.13Å; I334-I357 HydrophobicContact CB-CD1 4.17Å; I334-I357 HydrophobicContact CD1-CD1 4.32Å; I334-I357 HydrophobicContact CG2-CD1 4.41Å; I334-L369 HydrophobicContact CD1-CD2 3.57Å; I334-M371 HydrophobicContact CD1-SD 3.94Å |
| 335 | G | 91.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 155.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V326 V327 W337 | V326-G335 WeakPolarHBondContact CA-O 3.21Å; V327-G335 PolarHBondContact N-O 2.86Å; V327-G335 PolarHBondContact O-N 3.41Å; G335-W337 VanDerWaalsContact C-CZ3 3.49Å |
| 336 | C | 93.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 135.9 | 177.8 | -170.8 | 0 | 0 | 0 | 0 | 111.9 | L325 V326 L344 W345 | L325-C336 VanDerWaalsContact O-CA 3.26Å; L325-C336 WeakPolarHBondContact O-CA 3.5Å; L325-C336 PolarHBondContact O-SG 3.21Å; V326-C336 HydrophobicContact CG2-CB 4.11Å; C336-L344 PolarHBondContact O-N 2.76Å; C336-W345 HydrophobicContact CB-CD2 3.86Å; C336-W345 HydrophobicContact CB-CG 4.17Å; C336-W345 HydrophobicContact CB-CH2 4.45Å; C336-W345 HydrophobicContact CB-CZ2 3.64Å; C336-W345 PolarHBondContact N-O 3.49Å; C336-W345 PolarHBondContact O-N 3.28Å |
| 337 | W | 94.3 | Very high | 91.2 | Very high | 9 Ų | 9 | 15.8 Ų | 15.8 | 3% | 0.034 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 151.9 | 175.4 | -67.3 | -100.9 | 0 | 0 | 0 | 110.4 | A296 L298 G324 L325 V327 W329 G335 S342 | A296-W337 HydrophobicContact CB-CD2 4.12Å; A296-W337 HydrophobicContact CB-CG 4.35Å; A296-W337 HydrophobicContact CB-CZ2 4.04Å; L298-W337 HydrophobicContact CD2-CH2 4.17Å; L298-W337 HydrophobicContact CD2-CZ2 3.75Å; L298-W337 HydrophobicContact CG-CH2 4.41Å; L298-W337 HydrophobicContact CG-CZ2 4.16Å; G324-W337 CarbonylContact C-O 3.47Å; G324-W337 WeakPolarHBondContact CA-O 3.39Å; L325-W337 PolarHBondContact N-O 3.46Å; L325-W337 PolarHBondContact O-N 2.71Å; V327-W337 HydrophobicContact CB-CH2 4.47Å; V327-W337 HydrophobicContact CB-CZ3 3.78Å; V327-W337 HydrophobicContact CG2-CE3 3.92Å; V327-W337 HydrophobicContact CG2-CH2 4.35Å; V327-W337 HydrophobicContact CG2-CZ3 3.47Å; V327-W337 VanDerWaalsContact CG2-CZ3 3.47Å; W329-W337 AromaticContact CH2-CH2 3.71Å; W329-W337 HydrophobicContact CH2-CH2 3.71Å; W329-W337 HydrophobicContact CH2-CZ3 4.17Å; W329-W337 AromaticContact CZ2-CH2 3.8Å; W329-W337 HydrophobicContact CZ2-CH2 3.8Å; W329-W337 HydrophobicContact CZ2-CZ3 4.44Å; G335-W337 VanDerWaalsContact C-CZ3 3.49Å; W337-S342 CarbonylContact C-O 3.54Å; W337-S342 WeakPolarHBondContact CA-O 3.49Å |
| 338 | S | 93.5 | Very high | 90.5 | Very high | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.007 | 9% | 0.085 | C | C | . | . | trans | -66.5 | 174.1 | 163.4 | 75.4 | 0 | 0 | 0 | 0 | 111 | Y294 F340 G341 S342 E657 | Y294-S338 PolarHBondContact OH-O 2.71Å; S338-F340 VanDerWaalsContact C-N 3.3Å; S338-F340 PolarHBondContact O-N 3.31Å; S338-G341 PolarHBondContact O-N 2.78Å; S338-S342 PolarHBondContact N-O 2.87Å; S338-S342 WeakPolarHBondContact OG-CB 3.27Å; S338-S342 PolarHBondContact OG-N 3.16Å; S338-S342 PolarHBondContact OG-O 3.02Å; S338-E657 WeakPolarHBondContact CB-OE1 3.04Å; S338-E657 PolarHBondContact OG-OE1 3.18Å; S338-E657 PolarHBondContact OG-OE2 3.09Å | ||
| 339 | V | 94.8 | Very high | 89.7 | Confident | 4 Ų | 4 | 19.1 Ų | 19.1 | 2% | 0.024 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -38.6 | -172.5 | -176.4 | 0 | 0 | 0 | 0 | 113.5 | Y266 L268 Y294 G322 E657 | Y266-V339 HydrophobicContact CD1-CG1 3.64Å; Y266-V339 HydrophobicContact CD2-CG1 3.5Å; Y266-V339 HydrophobicContact CD2-CG2 4.23Å; Y266-V339 HydrophobicContact CE1-CG1 3.85Å; Y266-V339 HydrophobicContact CE2-CB 4.35Å; Y266-V339 HydrophobicContact CE2-CG1 3.75Å; Y266-V339 HydrophobicContact CE2-CG2 3.73Å; Y266-V339 HydrophobicContact CG-CG1 3.42Å; Y266-V339 VanDerWaalsContact CG-CG1 3.42Å; L268-V339 HydrophobicContact CD1-CG1 3.82Å; L268-V339 WeakPolarHBondContact CD1-O 3.15Å; Y294-V339 VanDerWaalsContact CE1-O 3.28Å; Y294-V339 WeakPolarHBondContact CE1-O 3.37Å; Y294-V339 PolarHBondContact OH-O 2.83Å; G322-V339 WeakPolarHBondContact O-CG2 3.49Å; V339-E657 HydrophobicContact CB-CG 4.34Å; V339-E657 PolarHBondContact N-OE1 3.01Å |
| 340 | F | 95.4 | Very high | 88.8 | Confident | 5 Ų | 5 | 19.5 Ų | 19.5 | 2% | 0.022 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | 29.9 | -178.8 | -61.7 | -60.8 | 0 | 0 | 0 | 111.9 | Y266 L268 T293 S338 F655 E657 I682 | Y266-F340 AromaticContact CD1-CE2 3.75Å; Y266-F340 HydrophobicContact CD1-CE2 3.75Å; Y266-F340 AromaticContact CD1-CZ 3.61Å; Y266-F340 HydrophobicContact CD1-CZ 3.61Å; Y266-F340 AromaticContact CE1-CE2 3.85Å; Y266-F340 HydrophobicContact CE1-CE2 3.85Å; Y266-F340 HydrophobicContact CE1-CZ 4.21Å; Y266-F340 HydrophobicContact CG-CZ 4.38Å; L268-F340 HydrophobicContact CD1-CD1 4.24Å; L268-F340 HydrophobicContact CD1-CE1 3.89Å; L268-F340 HydrophobicContact CD2-CE1 4.09Å; L268-F340 HydrophobicContact CG-CE1 4.48Å; T293-F340 HydrophobicContact CG2-CD1 3.85Å; T293-F340 HydrophobicContact CG2-CE1 4.26Å; S338-F340 VanDerWaalsContact C-N 3.3Å; S338-F340 PolarHBondContact O-N 3.31Å; F340-F655 HydrophobicContact CB-CB 4.2Å; F340-F655 HydrophobicContact CD1-CB 3.87Å; F340-F655 AromaticContact CD1-CD1 3.8Å; F340-F655 HydrophobicContact CD1-CD1 3.8Å; F340-F655 HydrophobicContact CD1-CG 4.32Å; F340-F655 HydrophobicContact CD2-CB 4.03Å; F340-F655 WeakPolarHBondContact CD2-O 3.37Å; F340-F655 HydrophobicContact CE1-CB 4.22Å; F340-F655 AromaticContact CE1-CD1 3.74Å; F340-F655 HydrophobicContact CE1-CD1 3.74Å; F340-F655 HydrophobicContact CE1-CG 4.49Å; F340-F655 HydrophobicContact CE2-CB 4.4Å; F340-F655 HydrophobicContact CG-CB 3.76Å; F340-F655 HydrophobicContact CZ-CB 4.48Å; F340-F655 HydrophobicContact CZ-CD1 4.47Å; F340-E657 HydrophobicContact CB-CG 4.27Å; F340-E657 HydrophobicContact CD2-CG 3.56Å; F340-E657 HydrophobicContact CE2-CG 4.42Å; F340-E657 HydrophobicContact CG-CG 4.36Å; F340-E657 PolarHBondContact N-OE1 3.45Å; F340-I682 VanDerWaalsContact O-CG2 3.29Å; F340-I682 WeakPolarHBondContact O-CG2 3.42Å; F340-I682 PolarHBondContact O-N 2.9Å |
| 341 | G | 92.3 | Very high | 87.6 | Confident | 3 Ų | 3 | 15.4 Ų | 15.4 | 3% | 0.031 | 8% | 0.084 | C | C | . | . | S | Bend | trans | 94.9 | 5.6 | 155.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | S338 R343 | S338-G341 PolarHBondContact O-N 2.78Å; G341-R343 PolarHBondContact O-N 3.16Å |
| 342 | S | 90.1 | Very high | 86.5 | Confident | 24 Ų | 24 | 19.6 Ų | 19.6 | 17% | 0.168 | 10% | 0.102 | C | C | . | . | trans | -68.6 | 126.9 | 167.6 | -82.4 | 0 | 0 | 0 | 0 | 109.9 | W337 S338 L344 G681 I682 | W337-S342 CarbonylContact C-O 3.54Å; W337-S342 WeakPolarHBondContact CA-O 3.49Å; S338-S342 PolarHBondContact N-O 2.87Å; S338-S342 WeakPolarHBondContact OG-CB 3.27Å; S338-S342 PolarHBondContact OG-N 3.16Å; S338-S342 PolarHBondContact OG-O 3.02Å; S342-L344 PolarHBondContact O-N 3.32Å; S342-G681 PolarHBondContact OG-O 3.4Å; S342-I682 PolarHBondContact OG-N 3.03Å | ||
| 343 | R | 89.8 | Confident | 85.5 | Confident | 89 Ų | 89 | 22.4 Ų | 22.4 | 34% | 0.336 | 13% | 0.132 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 118.9 | 177.3 | -175.7 | -178.3 | 66.6 | 122.1 | 4.6 | 109.1 | G341 | G341-R343 PolarHBondContact O-N 3.16Å |
| 344 | L | 87.9 | Confident | 84.7 | Confident | 13 Ų | 13 | 28.1 Ų | 28.1 | 7% | 0.068 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | -42.7 | 178.9 | -62.9 | 177.1 | 0 | 0 | 0 | 111.4 | C336 S342 Y722 | C336-L344 PolarHBondContact O-N 2.76Å; S342-L344 PolarHBondContact O-N 3.32Å; L344-Y722 HydrophobicContact CD2-CD1 3.95Å; L344-Y722 HydrophobicContact CD2-CD2 3.6Å; L344-Y722 HydrophobicContact CD2-CE1 4.3Å; L344-Y722 HydrophobicContact CD2-CE2 3.92Å; L344-Y722 HydrophobicContact CD2-CG 3.59Å |
| 345 | W | 87.8 | Confident | 84.1 | Confident | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.008 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.5 | 158.4 | 176.2 | 54 | -87.7 | 0 | 0 | 0 | 110.8 | M1 P3 I334 C336 L380 L382 | M1-W345 VanDerWaalsContact O-CD1 3.28Å; M1-W345 PolarHBondContact O-NE1 2.9Å; M1-W345 VanDerWaalsContact O-NE1 3.15Å; P3-W345 HydrophobicContact CG-CD2 3.92Å; P3-W345 HydrophobicContact CG-CE3 4.09Å; P3-W345 HydrophobicContact CG-CG 4.23Å; P3-W345 HydrophobicContact CG-CZ3 4.49Å; I334-W345 HydrophobicContact CB-CZ3 4.47Å; I334-W345 HydrophobicContact CD1-CH2 4.09Å; I334-W345 HydrophobicContact CG1-CH2 3.94Å; I334-W345 HydrophobicContact CG1-CZ3 4.03Å; I334-W345 HydrophobicContact CG2-CH2 4.49Å; I334-W345 HydrophobicContact CG2-CZ3 3.9Å; C336-W345 HydrophobicContact CB-CD2 3.86Å; C336-W345 HydrophobicContact CB-CG 4.17Å; C336-W345 HydrophobicContact CB-CH2 4.45Å; C336-W345 HydrophobicContact CB-CZ2 3.64Å; C336-W345 PolarHBondContact N-O 3.49Å; C336-W345 PolarHBondContact O-N 3.28Å; W345-L380 HydrophobicContact CH2-CD2 4.17Å; W345-L382 HydrophobicContact CZ2-CD2 4.12Å |
| 346 | F | 87.2 | Confident | 84 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 131.6 | 172 | 165.8 | -106.9 | 0 | 0 | 0 | 108.6 | L298 L310 W329 I334 P348 | L298-F346 HydrophobicContact CD1-CD2 3.74Å; L298-F346 HydrophobicContact CD1-CE1 4.43Å; L298-F346 HydrophobicContact CD1-CE2 3.46Å; L298-F346 VanDerWaalsContact CD1-CE2 3.46Å; L298-F346 HydrophobicContact CD1-CG 4.35Å; L298-F346 HydrophobicContact CD1-CZ 3.84Å; L298-F346 HydrophobicContact CD2-CB 4.27Å; L298-F346 HydrophobicContact CD2-CD1 4.36Å; L298-F346 HydrophobicContact CD2-CD2 4.05Å; L298-F346 HydrophobicContact CD2-CG 3.96Å; L310-F346 HydrophobicContact CD1-CE2 4.21Å; L310-F346 HydrophobicContact CD1-CZ 3.98Å; L310-F346 HydrophobicContact CD2-CE2 4.35Å; L310-F346 HydrophobicContact CD2-CZ 4.04Å; W329-F346 HydrophobicContact CE3-CE2 4.29Å; W329-F346 AromaticContact CH2-CD2 3.98Å; W329-F346 HydrophobicContact CH2-CD2 3.98Å; W329-F346 AromaticContact CH2-CE2 3.93Å; W329-F346 HydrophobicContact CH2-CE2 3.93Å; W329-F346 AromaticContact CZ3-CD2 3.92Å; W329-F346 HydrophobicContact CZ3-CD2 3.92Å; W329-F346 AromaticContact CZ3-CE2 3.59Å; W329-F346 HydrophobicContact CZ3-CE2 3.59Å; I334-F346 WeakPolarHBondContact O-CD2 3.43Å; F346-P348 HydrophobicContact CE1-CB 3.96Å; F346-P348 HydrophobicContact CE1-CG 4.29Å; F346-P348 HydrophobicContact CZ-CB 3.85Å |
| 347 | K | 85.1 | Confident | 83.9 | Confident | 8 Ų | 8 | 35.7 Ų | 35.7 | 4% | 0.035 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 113.3 | 175.5 | -69.5 | -60.3 | -164.7 | -177.3 | 0 | 108.5 | G333 I334 L350 E739 D741 S743 | G333-K347 WeakPolarHBondContact CA-O 3.47Å; I334-K347 HydrophobicContact CG2-CB 4.38Å; I334-K347 PolarHBondContact N-O 3.02Å; I334-K347 PolarHBondContact O-N 3.32Å; K347-L350 HydrophobicContact CB-CD1 3.98Å; K347-L350 HydrophobicContact CG-CD1 4.18Å; K347-E739 PolarHBondContact NZ-O 3.47Å; K347-D741 PolarHBondContact NZ-O 2.99Å; K347-S743 PolarHBondContact NZ-O 3.04Å |
| 348 | P | 82 | Confident | 83.8 | Confident | 14 Ų | 14 | 37 Ų | 37 | 9% | 0.091 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -70.6 | -34.8 | -177.6 | 26.9 | -33.2 | 0 | 0 | 0 | 112.4 | L306 S332 G333 F346 | L306-P348 HydrophobicContact CD2-CG 4.42Å; S332-P348 WeakPolarHBondContact CB-O 3.31Å; S332-P348 PolarHBondContact OG-O 3.31Å; G333-P348 WeakPolarHBondContact CA-O 3.31Å; G333-P348 PolarHBondContact N-O 3.09Å; F346-P348 HydrophobicContact CE1-CB 3.96Å; F346-P348 HydrophobicContact CE1-CG 4.29Å; F346-P348 HydrophobicContact CZ-CB 3.85Å |
| 349 | D | 78.7 | Confident | 83.8 | Confident | 56 Ų | 56 | 39.9 Ų | 39.9 | 30% | 0.299 | 21% | 0.21 | S | C | . | . | trans | -128.4 | 84.1 | 179.5 | -59.8 | -49 | 0 | 0 | 0 | 109 | K354 | D349-K354 VanDerWaalsContact CG-NZ 3.35Å; D349-K354 VanDerWaalsContact OD1-CD 3.25Å; D349-K354 WeakPolarHBondContact OD1-CD 3.3Å; D349-K354 WeakPolarHBondContact OD1-CG 3.28Å; D349-K354 IonicContact OD1-NZ 3.1Å; D349-K354 PolarHBondContact OD1-NZ 3.4Å; D349-K354 WeakPolarHBondContact OD2-CE 3.31Å; D349-K354 IonicContact OD2-NZ 3.27Å; D349-K354 PolarHBondContact OD2-NZ 3.39Å | ||
| 350 | L | 75.2 | Confident | 83.8 | Confident | 9 Ų | 9 | 39.7 Ų | 39.7 | 5% | 0.047 | 21% | 0.209 | C | C | . | . | trans | -79.8 | -29.4 | 178.8 | -168.2 | 90.8 | 0 | 0 | 0 | 112.6 | P7 I334 K347 I357 M371 L380 L744 | P7-L350 HydrophobicContact CG-CD1 4.39Å; P7-L350 HydrophobicContact CG-CD2 3.65Å; P7-L350 HydrophobicContact CG-CG 3.73Å; I334-L350 HydrophobicContact CG2-CB 3.84Å; I334-L350 HydrophobicContact CG2-CD1 3.99Å; I334-L350 HydrophobicContact CG2-CD2 3.96Å; I334-L350 HydrophobicContact CG2-CG 4.13Å; K347-L350 HydrophobicContact CB-CD1 3.98Å; K347-L350 HydrophobicContact CG-CD1 4.18Å; L350-I357 HydrophobicContact CD2-CD1 4.36Å; L350-M371 HydrophobicContact CD2-CE 3.63Å; L350-M371 HydrophobicContact CD2-SD 3.93Å; L350-L380 HydrophobicContact CD1-CD2 4.49Å; L350-L380 HydrophobicContact CD2-CD2 4.24Å; L350-L744 HydrophobicContact CD1-CD2 3.78Å; L350-L744 HydrophobicContact CG-CD2 4.32Å | ||
| 351 | V | 68 | Low | 83.9 | Confident | 12 Ų | 12 | 40.3 Ų | 40.3 | 7% | 0.073 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -114.7 | 132.9 | -179 | 178.9 | 0 | 0 | 0 | 0 | 108.6 | G353 K354 R355 F378 | V351-G353 PolarHBondContact O-N 3.21Å; V351-K354 PolarHBondContact O-N 3.43Å; V351-K354 VanDerWaalsContact O-N 3.15Å; V351-R355 HydrophobicContact CG1-CB 4.31Å; V351-F378 HydrophobicContact CB-CE2 4.46Å; V351-F378 HydrophobicContact CB-CZ 4.43Å; V351-F378 HydrophobicContact CG1-CE1 4.32Å; V351-F378 HydrophobicContact CG1-CE2 3.72Å; V351-F378 HydrophobicContact CG1-CZ 3.46Å; V351-F378 VanDerWaalsContact CG1-CZ 3.46Å; V351-F378 HydrophobicContact CG2-CD2 4.11Å; V351-F378 HydrophobicContact CG2-CE2 3.82Å; V351-F378 HydrophobicContact CG2-CZ 4.07Å |
| 352 | D | 65.3 | Low | 83.9 | Confident | 149 Ų | 149 | 40.2 Ų | 40.2 | 80% | 0.797 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | 136.2 | 179.7 | -75.1 | -34.7 | 0 | 0 | 0 | 112.2 | ||
| 353 | G | 64.7 | Low | 83.9 | Confident | 69 Ų | 69 | 39 Ų | 39 | 71% | 0.711 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.7 | 19.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | V351 R355 | V351-G353 PolarHBondContact O-N 3.21Å; G353-R355 VanDerWaalsContact C-N 3.28Å; G353-R355 PolarHBondContact O-N 3.15Å |
| 354 | K | 69.4 | Low | 83.8 | Confident | 124 Ų | 124 | 37 Ų | 37 | 54% | 0.539 | 20% | 0.196 | S | C | . | . | trans | 59.5 | 29.2 | 171.5 | -44.8 | -161.5 | 172.2 | -117.4 | 0 | 114.9 | S332 D349 V351 | S332-K354 VanDerWaalsContact OG-C 3.24Å; S332-K354 WeakPolarHBondContact OG-CA 3.46Å; S332-K354 PolarHBondContact OG-O 2.57Å; D349-K354 VanDerWaalsContact CG-NZ 3.35Å; D349-K354 VanDerWaalsContact OD1-CD 3.25Å; D349-K354 WeakPolarHBondContact OD1-CD 3.3Å; D349-K354 WeakPolarHBondContact OD1-CG 3.28Å; D349-K354 IonicContact OD1-NZ 3.1Å; D349-K354 PolarHBondContact OD1-NZ 3.4Å; D349-K354 WeakPolarHBondContact OD2-CE 3.31Å; D349-K354 IonicContact OD2-NZ 3.27Å; D349-K354 PolarHBondContact OD2-NZ 3.39Å; V351-K354 PolarHBondContact O-N 3.43Å; V351-K354 VanDerWaalsContact O-N 3.15Å | ||
| 355 | R | 80.1 | Confident | 83.8 | Confident | 101 Ų | 101 | 39.1 Ų | 39.1 | 38% | 0.381 | 21% | 0.205 | S | C | . | . | trans | -68 | 126.2 | -174.9 | -62.3 | 178.6 | -176.2 | 175.1 | 3.6 | 111.1 | V351 G353 T373 S375 E376 | V351-R355 HydrophobicContact CG1-CB 4.31Å; G353-R355 VanDerWaalsContact C-N 3.28Å; G353-R355 PolarHBondContact O-N 3.15Å; R355-T373 HydrophobicContact CB-CG2 3.89Å; R355-S375 PolarHBondContact NH1-OG 3.1Å; R355-E376 IonicContact CZ-OE1 2.75Å; R355-E376 IonicContact CZ-OE2 2.78Å; R355-E376 IonicContact NH1-OE1 2.65Å; R355-E376 PolarHBondContact NH1-OE1 2.62Å; R355-E376 IonicContact NH1-OE2 3.13Å; R355-E376 PolarHBondContact NH1-OE2 3.05Å | ||
| 356 | P | 87.9 | Confident | 83.9 | Confident | 53 Ų | 53 | 39 Ų | 39 | 34% | 0.344 | 21% | 0.205 | S | C | . | . | trans | -69 | 136.8 | -178.6 | 25.4 | -33.1 | 0 | 0 | 0 | 112.1 | K330 I358 | K330-P356 WeakPolarHBondContact O-CB 3.48Å; P356-I358 PolarHBondContact O-N 2.96Å | ||
| 357 | I | 92.1 | Very high | 84 | Confident | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | trans | -80 | 107.2 | 175 | -60.8 | 162.9 | 0 | 0 | 0 | 108 | Q314 T328 I334 L350 R359 M371 | Q314-I357 WeakPolarHBondContact CG-O 3.06Å; T328-I357 HydrophobicContact CG2-CB 3.99Å; T328-I357 HydrophobicContact CG2-CD1 4.16Å; T328-I357 HydrophobicContact CG2-CG2 3.99Å; T328-I357 PolarHBondContact OG1-O 2.87Å; I334-I357 HydrophobicContact CB-CD1 4.17Å; I334-I357 HydrophobicContact CD1-CD1 4.32Å; I334-I357 HydrophobicContact CG2-CD1 4.41Å; L350-I357 HydrophobicContact CD2-CD1 4.36Å; I357-R359 WeakPolarHBondContact CG2-O 3.46Å; I357-M371 HydrophobicContact CD1-SD 3.86Å; I357-M371 HydrophobicContact CG2-CB 3.94Å; I357-M371 HydrophobicContact CG2-CG 4.33Å | ||
| 358 | I | 91.9 | Very high | 84.3 | Confident | 37 Ų | 37 | 39.5 Ų | 39.5 | 19% | 0.19 | 21% | 0.207 | C | C | . | . | trans | -67.9 | -44.3 | -175.3 | -54.1 | 171.9 | 0 | 0 | 0 | 110.6 | Q314 P356 V372 R374 | Q314-I358 PolarHBondContact NE2-O 3.29Å; P356-I358 PolarHBondContact O-N 2.96Å; I358-V372 HydrophobicContact CB-CG2 4.37Å; I358-V372 PolarHBondContact N-O 3.17Å; I358-R374 HydrophobicContact CD1-CB 4.32Å; I358-R374 HydrophobicContact CD1-CG 3.57Å | ||
| 359 | R | 94.1 | Very high | 84.9 | Confident | 61 Ų | 61 | 38.8 Ų | 38.8 | 23% | 0.23 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 150.5 | -177.4 | -161.3 | 67.5 | 179.4 | -160.5 | -0.8 | 109.2 | F23 L24 Y315 I357 V372 | F23-R359 HydrophobicContact CD2-CG 4.36Å; F23-R359 HydrophobicContact CE2-CG 4.09Å; F23-R359 HydrophobicContact CZ-CG 4.19Å; L24-R359 HydrophobicContact CG-CG 4.49Å; Y315-R359 VanDerWaalsContact CD2-NH1 3.3Å; Y315-R359 VanDerWaalsContact CE2-NH1 3.34Å; Y315-R359 VanDerWaalsContact CE2-NH2 3.26Å; Y315-R359 PolarHBondContact OH-NH2 2.96Å; I357-R359 WeakPolarHBondContact CG2-O 3.46Å; R359-V372 HydrophobicContact CB-CG2 4.08Å; R359-V372 PolarHBondContact O-N 3.31Å |
| 360 | F | 95.6 | Very high | 85.6 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 164 | 166.1 | 72.1 | -98.9 | 0 | 0 | 0 | 110.1 | Y315 D317 V326 T328 W362 L369 W370 M371 | Y315-F360 AromaticContact CD1-CD1 3.68Å; Y315-F360 HydrophobicContact CD1-CD1 3.68Å; Y315-F360 AromaticContact CD1-CE1 3.62Å; Y315-F360 HydrophobicContact CD1-CE1 3.62Å; Y315-F360 HydrophobicContact CD1-CG 4.17Å; Y315-F360 HydrophobicContact CD1-CZ 4.08Å; Y315-F360 HydrophobicContact CE1-CD1 4.37Å; Y315-F360 HydrophobicContact CE1-CD2 4.48Å; Y315-F360 HydrophobicContact CE1-CE1 4.24Å; Y315-F360 HydrophobicContact CE1-CE2 4.38Å; Y315-F360 HydrophobicContact CE1-CG 4.48Å; Y315-F360 HydrophobicContact CE1-CZ 4.25Å; Y315-F360 VanDerWaalsContact CE1-O 3.28Å; Y315-F360 WeakPolarHBondContact CE1-O 3.46Å; Y315-F360 HydrophobicContact CG-CE1 4.39Å; D317-F360 HydrophobicContact CB-CE2 3.8Å; D317-F360 HydrophobicContact CB-CZ 3.85Å; V326-F360 HydrophobicContact CB-CE1 4.41Å; V326-F360 HydrophobicContact CB-CE2 4.06Å; V326-F360 HydrophobicContact CB-CZ 3.7Å; V326-F360 HydrophobicContact CG1-CD1 4.45Å; V326-F360 HydrophobicContact CG1-CE1 3.83Å; V326-F360 HydrophobicContact CG1-CE2 4.02Å; V326-F360 HydrophobicContact CG1-CZ 3.58Å; T328-F360 HydrophobicContact CG2-CD1 3.77Å; T328-F360 HydrophobicContact CG2-CE1 4.06Å; F360-W362 HydrophobicContact CE2-CZ2 4.43Å; F360-W362 AromaticContact CE2-NE1 3.95Å; F360-L369 HydrophobicContact CB-CD2 4.35Å; F360-L369 HydrophobicContact CB-CG 4.19Å; F360-L369 HydrophobicContact CD2-CD1 3.46Å; F360-L369 VanDerWaalsContact CD2-CD1 3.46Å; F360-L369 HydrophobicContact CD2-CD2 4.15Å; F360-L369 HydrophobicContact CD2-CG 3.94Å; F360-L369 HydrophobicContact CE2-CD1 3.92Å; F360-L369 HydrophobicContact CG-CD1 4.29Å; F360-L369 HydrophobicContact CG-CD2 4.24Å; F360-L369 HydrophobicContact CG-CG 4.29Å; F360-W370 CarbonylContact C-O 3.45Å; F360-W370 WeakPolarHBondContact CA-O 3.36Å; F360-W370 VanDerWaalsContact CB-O 3.3Å; F360-W370 WeakPolarHBondContact CB-O 3.48Å; F360-M371 HydrophobicContact CB-CB 4.43Å; F360-M371 HydrophobicContact CB-CG 3.83Å |
| 361 | D | 95.8 | Very high | 86.5 | Confident | 19 Ų | 19 | 35.8 Ų | 35.8 | 10% | 0.102 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 163.8 | 167.4 | -156.6 | -19.7 | 0 | 0 | 0 | 108.9 | L24 C26 R30 W370 | L24-D361 HydrophobicContact CD1-CB 3.39Å; C26-D361 HydrophobicContact CB-CB 4.44Å; C26-D361 WeakPolarHBondContact CB-OD2 3.47Å; C26-D361 PolarHBondContact N-OD2 3.39Å; R30-D361 IonicContact CZ-OD1 2.73Å; R30-D361 IonicContact NH1-OD1 2.7Å; R30-D361 PolarHBondContact NH1-OD1 3.39Å; D361-W370 PolarHBondContact N-O 2.97Å; D361-W370 PolarHBondContact O-N 3.33Å |
| 362 | W | 94 | Very high | 87.6 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 140.9 | -176.8 | -46.5 | 78.5 | 0 | 0 | 0 | 111.4 | M1 R30 D317 W318 S319 P320 V326 F360 L369 L382 | M1-W362 HydrophobicContact CE-CH2 4.35Å; M1-W362 HydrophobicContact CE-CZ3 3.86Å; M1-W362 HydrophobicContact SD-CH2 3.76Å; M1-W362 HydrophobicContact SD-CZ3 3.57Å; M1-W362 VanDerWaalsContact SD-CZ3 3.57Å; R30-W362 WeakPolarHBondContact CB-O 3.5Å; R30-W362 VanDerWaalsContact CD-O 3.3Å; R30-W362 WeakPolarHBondContact CD-O 3.35Å; R30-W362 WeakPolarHBondContact CG-O 2.84Å; R30-W362 PolarHBondContact NH1-O 2.86Å; D317-W362 PolarHBondContact OD2-NE1 3.35Å; W318-W362 PolarHBondContact O-NE1 2.78Å; S319-W362 VanDerWaalsContact CA-CZ2 3.45Å; P320-W362 HydrophobicContact CG-CB 4.29Å; V326-W362 HydrophobicContact CB-CH2 4.28Å; V326-W362 HydrophobicContact CB-CZ2 3.99Å; V326-W362 HydrophobicContact CG2-CH2 3.4Å; V326-W362 HydrophobicContact CG2-CZ2 3.61Å; F360-W362 HydrophobicContact CE2-CZ2 4.43Å; F360-W362 AromaticContact CE2-NE1 3.95Å; W362-L369 HydrophobicContact CD2-CD1 3.57Å; W362-L369 HydrophobicContact CE3-CD1 3.64Å; W362-L369 HydrophobicContact CG-CD1 4.13Å; W362-L369 HydrophobicContact CH2-CD1 4.14Å; W362-L369 HydrophobicContact CZ2-CD1 4.07Å; W362-L369 HydrophobicContact CZ3-CD1 3.94Å; W362-L382 HydrophobicContact CE3-CD1 4.17Å; W362-L382 HydrophobicContact CH2-CD1 4.4Å; W362-L382 HydrophobicContact CZ3-CD1 3.51Å |
| 363 | S | 90.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | trans | -70.2 | 177.5 | 165.5 | 74.9 | 0 | 0 | 0 | 0 | 111.8 | R30 E365 G366 H368 | R30-S363 VanDerWaalsContact CB-C 3.42Å; R30-S363 WeakPolarHBondContact CD-O 3.45Å; S363-E365 PolarHBondContact O-N 3.29Å; S363-G366 PolarHBondContact O-N 3Å; S363-H368 PolarHBondContact N-O 2.78Å; S363-H368 WeakPolarHBondContact OG-CB 3.45Å; S363-H368 PolarHBondContact OG-N 2.92Å; S363-H368 PolarHBondContact OG-ND1 2.89Å; S363-H368 PolarHBondContact OG-O 3.01Å | ||
| 364 | R | 87.6 | Confident | 89.9 | Confident | 46 Ų | 46 | 33.5 Ų | 33.5 | 17% | 0.174 | 14% | 0.144 | C | C | . | . | G | 310 helix | trans | -46.4 | 133.4 | 170.1 | -157.1 | 172.5 | -155.3 | 171.7 | 15.7 | 111.8 | E29 R30 E31 G366 W441 P442 | E29-R364 IonicContact OE2-CZ 2.76Å; E29-R364 IonicContact OE2-NH2 3.47Å; E29-R364 PolarHBondContact OE2-NH2 3.46Å; R30-R364 PolarHBondContact O-N 3.19Å; R30-R364 VanDerWaalsContact O-N 3.09Å; E31-R364 IonicContact OE1-CZ 3.52Å; E31-R364 IonicContact OE1-NE 3.69Å; E31-R364 IonicContact OE1-NH1 2.63Å; E31-R364 PolarHBondContact OE1-NH1 2.85Å; E31-R364 IonicContact OE1-NH2 3.68Å; E31-R364 PolarHBondContact OE1-NH2 2.76Å; R364-G366 PolarHBondContact O-N 3.38Å; R364-W441 HydrophobicContact CB-CZ3 4.31Å; R364-P442 HydrophobicContact CB-CG 4.46Å; R364-P442 HydrophobicContact CG-CG 4.25Å |
| 365 | E | 87.2 | Confident | 90.7 | Very high | 58 Ų | 58 | 30.2 Ų | 30.2 | 27% | 0.271 | 14% | 0.137 | S | C | . | . | G | 310 helix | trans | 56 | -6.5 | -170.1 | -57.1 | -56.7 | 148.7 | 0 | 0 | 117.1 | S363 K384 P442 R444 | S363-E365 PolarHBondContact O-N 3.29Å; E365-K384 WeakPolarHBondContact O-CE 3.2Å; E365-K384 PolarHBondContact O-NZ 2.81Å; E365-P442 HydrophobicContact CB-CG 4.3Å; E365-P442 HydrophobicContact CG-CG 3.61Å; E365-R444 HydrophobicContact CG-CB 4.31Å; E365-R444 HydrophobicContact CG-CG 3.79Å; E365-R444 WeakPolarHBondContact OE1-CD 3.47Å; E365-R444 WeakPolarHBondContact OE1-CG 3.37Å |
| 366 | G | 89.6 | Confident | 90.9 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | 72.6 | 32.5 | -175 | 0 | 0 | 0 | 0 | 0 | 114.5 | S363 R364 | S363-G366 PolarHBondContact O-N 3Å; R364-G366 PolarHBondContact O-N 3.38Å |
| 367 | H | 89.8 | Confident | 91 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -78.4 | -25.5 | 166.8 | -71.8 | -63.4 | 0 | 0 | 0 | 113.2 | L382 H402 T403 H404 V443 | H367-L382 PolarHBondContact O-N 3.41Å; H367-H402 AromaticContact CE1-CE1 3.7Å; H367-H402 AromaticContact CE1-ND1 3.71Å; H367-T403 PolarHBondContact CE1-O 2.57Å; H367-T403 VanDerWaalsContact CE1-O 3.24Å; H367-H404 HydrophobicContact CB-CB 4.04Å; H367-V443 PolarHBondContact NE2-O 2.88Å |
| 368 | H | 91.7 | Very high | 90.8 | Very high | 17 Ų | 17 | 26 Ų | 26 | 8% | 0.079 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 143.5 | 171 | -49.4 | 94.3 | 0 | 0 | 0 | 111.2 | F47 S363 L380 H404 | F47-H368 AromaticContact CD2-CE1 3.58Å; F47-H368 AromaticContact CE2-CE1 3.72Å; F47-H368 AromaticContact CE2-NE2 3.98Å; S363-H368 PolarHBondContact N-O 2.78Å; S363-H368 WeakPolarHBondContact OG-CB 3.45Å; S363-H368 PolarHBondContact OG-N 2.92Å; S363-H368 PolarHBondContact OG-ND1 2.89Å; S363-H368 PolarHBondContact OG-O 3.01Å; H368-L380 CarbonylContact C-O 3.6Å; H368-L380 VanDerWaalsContact CA-O 3.25Å; H368-L380 WeakPolarHBondContact CA-O 3.35Å; H368-H404 AromaticContact CE1-CD2 3.11Å; H368-H404 PolarHBondContact CE1-CD2 2.86Å; H368-H404 AromaticContact CE1-NE2 3.45Å; H368-H404 PolarHBondContact CE1-NE2 3.17Å; H368-H404 AromaticContact NE2-CD2 3.35Å; H368-H404 PolarHBondContact NE2-CD2 2.71Å; H368-H404 VanDerWaalsContact NE2-CD2 3.35Å; H368-H404 AromaticContact NE2-NE2 3.32Å; H368-H404 PolarHBondContact NE2-NE2 3.19Å |
| 369 | L | 93.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 112.4 | 165.8 | -157.1 | 72.9 | 0 | 0 | 0 | 108.5 | V326 I334 F360 W362 M371 A379 L380 L382 | V326-L369 HydrophobicContact CG1-CD2 4.01Å; I334-L369 HydrophobicContact CD1-CD2 3.57Å; F360-L369 HydrophobicContact CB-CD2 4.35Å; F360-L369 HydrophobicContact CB-CG 4.19Å; F360-L369 HydrophobicContact CD2-CD1 3.46Å; F360-L369 VanDerWaalsContact CD2-CD1 3.46Å; F360-L369 HydrophobicContact CD2-CD2 4.15Å; F360-L369 HydrophobicContact CD2-CG 3.94Å; F360-L369 HydrophobicContact CE2-CD1 3.92Å; F360-L369 HydrophobicContact CG-CD1 4.29Å; F360-L369 HydrophobicContact CG-CD2 4.24Å; F360-L369 HydrophobicContact CG-CG 4.29Å; W362-L369 HydrophobicContact CD2-CD1 3.57Å; W362-L369 HydrophobicContact CE3-CD1 3.64Å; W362-L369 HydrophobicContact CG-CD1 4.13Å; W362-L369 HydrophobicContact CH2-CD1 4.14Å; W362-L369 HydrophobicContact CZ2-CD1 4.07Å; W362-L369 HydrophobicContact CZ3-CD1 3.94Å; L369-M371 HydrophobicContact CD2-CG 4.08Å; L369-M371 HydrophobicContact CD2-SD 3.93Å; L369-M371 HydrophobicContact CG-CG 4.12Å; L369-M371 HydrophobicContact CG-SD 4.5Å; L369-A379 WeakPolarHBondContact O-CA 3.4Å; L369-L380 HydrophobicContact CB-CB 4.33Å; L369-L380 PolarHBondContact N-O 3.04Å; L369-L380 PolarHBondContact O-N 3.47Å; L369-L382 HydrophobicContact CB-CD1 4.28Å |
| 370 | W | 93.9 | Very high | 90.5 | Very high | 2 Ų | 2 | 21.8 Ų | 21.8 | 1% | 0.008 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 130.8 | 171.9 | -78.9 | 53.1 | 0 | 0 | 0 | 108.3 | L10 L24 C33 I35 F44 T46 P49 F360 D361 L377 F378 | L10-W370 HydrophobicContact CD1-CD2 4.4Å; L10-W370 HydrophobicContact CD1-CE3 4.18Å; L10-W370 HydrophobicContact CD1-CH2 3.6Å; L10-W370 HydrophobicContact CD1-CZ2 3.83Å; L10-W370 HydrophobicContact CD1-CZ3 3.79Å; L24-W370 HydrophobicContact CD1-CB 4.24Å; C33-W370 HydrophobicContact CB-CE3 4.15Å; C33-W370 HydrophobicContact CB-CZ3 4.25Å; I35-W370 HydrophobicContact CD1-CZ3 4.46Å; F44-W370 HydrophobicContact CB-CH2 4.25Å; F44-W370 HydrophobicContact CB-CZ3 4.16Å; F44-W370 HydrophobicContact CG-CZ3 4.43Å; T46-W370 WeakPolarHBondContact O-CZ2 3.49Å; P49-W370 HydrophobicContact CB-CH2 3.72Å; P49-W370 HydrophobicContact CB-CZ2 3.76Å; F360-W370 CarbonylContact C-O 3.45Å; F360-W370 WeakPolarHBondContact CA-O 3.36Å; F360-W370 VanDerWaalsContact CB-O 3.3Å; F360-W370 WeakPolarHBondContact CB-O 3.48Å; D361-W370 PolarHBondContact N-O 2.97Å; D361-W370 PolarHBondContact O-N 3.33Å; W370-L377 HydrophobicContact CE3-CD1 4.03Å; W370-L377 HydrophobicContact CE3-CD2 4.32Å; W370-L377 HydrophobicContact CZ3-CD2 3.96Å; W370-F378 CarbonylContact C-O 3.58Å; W370-F378 WeakPolarHBondContact CA-O 3.23Å |
| 371 | M | 93.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 141.3 | -171.2 | -57.9 | 175.7 | -62.6 | 0 | 0 | 110 | P7 I334 L350 I357 F360 L369 F378 L380 | P7-M371 HydrophobicContact CB-CE 4.21Å; P7-M371 HydrophobicContact CG-CE 4.48Å; I334-M371 HydrophobicContact CD1-SD 3.94Å; L350-M371 HydrophobicContact CD2-CE 3.63Å; L350-M371 HydrophobicContact CD2-SD 3.93Å; I357-M371 HydrophobicContact CD1-SD 3.86Å; I357-M371 HydrophobicContact CG2-CB 3.94Å; I357-M371 HydrophobicContact CG2-CG 4.33Å; F360-M371 HydrophobicContact CB-CB 4.43Å; F360-M371 HydrophobicContact CB-CG 3.83Å; L369-M371 HydrophobicContact CD2-CG 4.08Å; L369-M371 HydrophobicContact CD2-SD 3.93Å; L369-M371 HydrophobicContact CG-CG 4.12Å; L369-M371 HydrophobicContact CG-SD 4.5Å; M371-F378 HydrophobicContact CB-CB 4.43Å; M371-F378 HydrophobicContact CE-CB 3.91Å; M371-F378 PolarHBondContact N-O 2.94Å; M371-F378 PolarHBondContact O-N 3.26Å; M371-L380 HydrophobicContact CE-CB 3.61Å; M371-L380 HydrophobicContact SD-CB 4.47Å |
| 372 | V | 92.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 135.4 | 174.1 | -67 | 0 | 0 | 0 | 0 | 112.3 | V21 L24 I358 R359 E376 L377 | V21-V372 HydrophobicContact CB-CB 4.39Å; V21-V372 HydrophobicContact CG1-CB 3.97Å; V21-V372 HydrophobicContact CG1-CG1 3.66Å; V21-V372 HydrophobicContact CG1-CG2 4.46Å; L24-V372 HydrophobicContact CB-CG1 4.2Å; L24-V372 HydrophobicContact CD2-CB 4.17Å; L24-V372 HydrophobicContact CD2-CG1 3.6Å; L24-V372 HydrophobicContact CD2-CG2 3.93Å; I358-V372 HydrophobicContact CB-CG2 4.37Å; I358-V372 PolarHBondContact N-O 3.17Å; R359-V372 HydrophobicContact CB-CG2 4.08Å; R359-V372 PolarHBondContact O-N 3.31Å; V372-E376 WeakPolarHBondContact CA-O 3.31Å; V372-L377 HydrophobicContact CG1-CB 4.49Å; V372-L377 HydrophobicContact CG1-CD1 3.51Å |
| 373 | T | 90.8 | Very high | 89.7 | Confident | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.012 | 10% | 0.101 | C | C | . | . | trans | -96.7 | -176.6 | 157.6 | 71.3 | 0 | 0 | 0 | 0 | 108.1 | R355 S375 E376 F378 | R355-T373 HydrophobicContact CB-CG2 3.89Å; T373-S375 PolarHBondContact O-N 3.18Å; T373-S375 PolarHBondContact OG1-N 3.19Å; T373-E376 PolarHBondContact N-O 3.47Å; T373-E376 PolarHBondContact OG1-N 3.38Å; T373-E376 VanDerWaalsContact OG1-N 3.11Å; T373-E376 PolarHBondContact OG1-O 2.71Å; T373-F378 HydrophobicContact CG2-CD2 4.36Å; T373-F378 HydrophobicContact CG2-CE2 3.84Å | ||
| 374 | R | 87.8 | Confident | 89.7 | Confident | 180 Ų | 180 | 23 Ų | 23 | 68% | 0.679 | 11% | 0.106 | S | C | * | . | S | Bend | trans | -66.2 | -20.7 | 176.5 | -74.7 | -168.4 | 178.6 | 166.5 | 2.2 | 113.3 | T20 V21 I358 | T20-R374 WeakPolarHBondContact CA-O 3.16Å; T20-R374 HydrophobicContact CG2-CB 4.4Å; V21-R374 PolarHBondContact N-O 2.99Å; I358-R374 HydrophobicContact CD1-CB 4.32Å; I358-R374 HydrophobicContact CD1-CG 3.57Å |
| 375 | S | 84.2 | Confident | 89.6 | Confident | 55 Ų | 55 | 23.7 Ų | 23.7 | 39% | 0.385 | 12% | 0.117 | S | C | . | . | S | Bend | trans | -122.6 | -15.8 | -169 | 52.4 | 0 | 0 | 0 | 0 | 114.1 | L12 R355 T373 | L12-S375 VanDerWaalsContact CD1-O 3.26Å; L12-S375 WeakPolarHBondContact CD1-O 3.38Å; R355-S375 PolarHBondContact NH1-OG 3.1Å; T373-S375 PolarHBondContact O-N 3.18Å; T373-S375 PolarHBondContact OG1-N 3.19Å |
| 376 | E | 86 | Confident | 89.3 | Confident | 53 Ų | 53 | 21.5 Ų | 21.5 | 25% | 0.248 | 11% | 0.108 | C | C | . | . | trans | -142.4 | 149.9 | -170 | -71.5 | 147.9 | 164 | 0 | 0 | 111.5 | R355 V372 T373 F378 | R355-E376 IonicContact CZ-OE1 2.75Å; R355-E376 IonicContact CZ-OE2 2.78Å; R355-E376 IonicContact NH1-OE1 2.65Å; R355-E376 PolarHBondContact NH1-OE1 2.62Å; R355-E376 IonicContact NH1-OE2 3.13Å; R355-E376 PolarHBondContact NH1-OE2 3.05Å; V372-E376 WeakPolarHBondContact CA-O 3.31Å; T373-E376 PolarHBondContact N-O 3.47Å; T373-E376 PolarHBondContact OG1-N 3.38Å; T373-E376 VanDerWaalsContact OG1-N 3.11Å; T373-E376 PolarHBondContact OG1-O 2.71Å; E376-F378 HydrophobicContact CB-CD2 4.15Å; E376-F378 HydrophobicContact CB-CE1 4.49Å; E376-F378 HydrophobicContact CB-CE2 3.38Å; E376-F378 HydrophobicContact CB-CZ 3.59Å; E376-F378 HydrophobicContact CG-CE2 4.33Å; E376-F378 HydrophobicContact CG-CZ 4.08Å; E376-F378 WeakPolarHBondContact OE2-CZ 3.49Å | ||
| 377 | L | 88.8 | Confident | 88.2 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 134.4 | 170.1 | 174.3 | 66.9 | 0 | 0 | 0 | 108.2 | L10 L12 I35 W370 V372 | L10-L377 HydrophobicContact CB-CB 4.27Å; L10-L377 HydrophobicContact CB-CD2 3.8Å; L10-L377 HydrophobicContact CB-CG 3.91Å; L10-L377 HydrophobicContact CD1-CD2 3.91Å; L10-L377 HydrophobicContact CD1-CG 4.01Å; L10-L377 HydrophobicContact CG-CD2 4.47Å; L10-L377 HydrophobicContact CG-CG 4.4Å; L10-L377 PolarHBondContact N-O 3.1Å; L12-L377 HydrophobicContact CD2-CB 3.76Å; I35-L377 HydrophobicContact CD1-CD1 3.87Å; I35-L377 HydrophobicContact CD1-CD2 3.51Å; I35-L377 HydrophobicContact CD1-CG 4.32Å; W370-L377 HydrophobicContact CE3-CD1 4.03Å; W370-L377 HydrophobicContact CE3-CD2 4.32Å; W370-L377 HydrophobicContact CZ3-CD2 3.96Å; V372-L377 HydrophobicContact CG1-CB 4.49Å; V372-L377 HydrophobicContact CG1-CD1 3.51Å |
| 378 | F | 88.4 | Confident | 86.4 | Confident | 16 Ų | 16 | 27.8 Ų | 27.8 | 7% | 0.07 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 148.9 | -179.6 | -62.2 | -83 | 0 | 0 | 0 | 111.5 | P7 Q8 V351 W370 M371 T373 E376 | P7-F378 HydrophobicContact CB-CB 4.17Å; P7-F378 HydrophobicContact CB-CD1 4.05Å; P7-F378 HydrophobicContact CB-CG 4.4Å; Q8-F378 CarbonylContact O-C 3.56Å; Q8-F378 VanDerWaalsContact O-CA 3.3Å; Q8-F378 WeakPolarHBondContact O-CA 3.48Å; V351-F378 HydrophobicContact CB-CE2 4.46Å; V351-F378 HydrophobicContact CB-CZ 4.43Å; V351-F378 HydrophobicContact CG1-CE1 4.32Å; V351-F378 HydrophobicContact CG1-CE2 3.72Å; V351-F378 HydrophobicContact CG1-CZ 3.46Å; V351-F378 VanDerWaalsContact CG1-CZ 3.46Å; V351-F378 HydrophobicContact CG2-CD2 4.11Å; V351-F378 HydrophobicContact CG2-CE2 3.82Å; V351-F378 HydrophobicContact CG2-CZ 4.07Å; W370-F378 CarbonylContact C-O 3.58Å; W370-F378 WeakPolarHBondContact CA-O 3.23Å; M371-F378 HydrophobicContact CB-CB 4.43Å; M371-F378 HydrophobicContact CE-CB 3.91Å; M371-F378 PolarHBondContact N-O 2.94Å; M371-F378 PolarHBondContact O-N 3.26Å; T373-F378 HydrophobicContact CG2-CD2 4.36Å; T373-F378 HydrophobicContact CG2-CE2 3.84Å; E376-F378 HydrophobicContact CB-CD2 4.15Å; E376-F378 HydrophobicContact CB-CE1 4.49Å; E376-F378 HydrophobicContact CB-CE2 3.38Å; E376-F378 HydrophobicContact CB-CZ 3.59Å; E376-F378 HydrophobicContact CG-CE2 4.33Å; E376-F378 HydrophobicContact CG-CZ 4.08Å; E376-F378 WeakPolarHBondContact OE2-CZ 3.49Å |
| 379 | A | 89.7 | Confident | 84.3 | Confident | 9 Ų | 9 | 28.8 Ų | 28.8 | 7% | 0.074 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 119.6 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q8 L10 L369 | Q8-A379 PolarHBondContact N-O 2.86Å; Q8-A379 PolarHBondContact O-N 3.06Å; L10-A379 HydrophobicContact CD1-CB 4.18Å; L369-A379 WeakPolarHBondContact O-CA 3.4Å |
| 380 | L | 89.6 | Confident | 82.1 | Confident | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 125.3 | 173.4 | 172.3 | 65.8 | 0 | 0 | 0 | 109.7 | P3 P7 W345 L350 H368 L369 M371 L382 | P3-L380 HydrophobicContact CB-CD1 3.97Å; P3-L380 HydrophobicContact CB-CD2 4.15Å; P3-L380 HydrophobicContact CB-CG 4.38Å; P7-L380 HydrophobicContact CG-CD1 4.29Å; W345-L380 HydrophobicContact CH2-CD2 4.17Å; L350-L380 HydrophobicContact CD1-CD2 4.49Å; L350-L380 HydrophobicContact CD2-CD2 4.24Å; H368-L380 CarbonylContact C-O 3.6Å; H368-L380 VanDerWaalsContact CA-O 3.25Å; H368-L380 WeakPolarHBondContact CA-O 3.35Å; L369-L380 HydrophobicContact CB-CB 4.33Å; L369-L380 PolarHBondContact N-O 3.04Å; L369-L380 PolarHBondContact O-N 3.47Å; M371-L380 HydrophobicContact CE-CB 3.61Å; M371-L380 HydrophobicContact SD-CB 4.47Å; L380-L382 HydrophobicContact CD2-CD2 4.04Å; L380-L382 HydrophobicContact CG-CD2 4.11Å |
| 381 | L | 89.7 | Confident | 80.1 | Confident | 21 Ų | 21 | 29.9 Ų | 29.9 | 11% | 0.11 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 137.8 | 174.8 | -178.2 | 64.4 | 0 | 0 | 0 | 110.9 | V4 I111 T403 | V4-L381 PolarHBondContact N-O 3.48Å; I111-L381 HydrophobicContact CD1-CD2 3.57Å; I111-L381 HydrophobicContact CG1-CD2 4.3Å; L381-T403 HydrophobicContact CD1-CG2 4.21Å; L381-T403 HydrophobicContact CD2-CG2 4.16Å; L381-T403 HydrophobicContact CG-CG2 4.23Å |
| 382 | L | 90.1 | Very high | 78.1 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 130.1 | -178 | -59 | 176.5 | 0 | 0 | 0 | 111.1 | M1 Y2 P3 W345 W362 H367 L369 L380 | M1-L382 HydrophobicContact CG-CB 4.21Å; M1-L382 HydrophobicContact CG-CD1 4.29Å; M1-L382 HydrophobicContact SD-CD1 3.9Å; Y2-L382 CarbonylContact O-C 3.5Å; Y2-L382 WeakPolarHBondContact O-CA 3.24Å; P3-L382 HydrophobicContact CB-CD2 4.22Å; W345-L382 HydrophobicContact CZ2-CD2 4.12Å; W362-L382 HydrophobicContact CE3-CD1 4.17Å; W362-L382 HydrophobicContact CH2-CD1 4.4Å; W362-L382 HydrophobicContact CZ3-CD1 3.51Å; H367-L382 PolarHBondContact O-N 3.41Å; L369-L382 HydrophobicContact CB-CD1 4.28Å; L380-L382 HydrophobicContact CD2-CD2 4.04Å; L380-L382 HydrophobicContact CG-CD2 4.11Å |
| 383 | L | 89.8 | Confident | 76.3 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 142.4 | 165.5 | -78.1 | 164.1 | 0 | 0 | 0 | 111.5 | M1 Y2 V4 L401 H402 T403 F408 L424 L747 | M1-L383 CarbonylContact C-O 3.59Å; M1-L383 WeakPolarHBondContact CA-O 3.44Å; Y2-L383 PolarHBondContact N-O 3.39Å; Y2-L383 PolarHBondContact O-N 3.3Å; V4-L383 HydrophobicContact CG2-CB 4.28Å; V4-L383 HydrophobicContact CG2-CD1 3.27Å; V4-L383 HydrophobicContact CG2-CD2 4.48Å; V4-L383 HydrophobicContact CG2-CG 3.39Å; L383-L401 HydrophobicContact CB-CB 4.39Å; L383-L401 HydrophobicContact CB-CD1 4.44Å; L383-L401 HydrophobicContact CD1-CB 4.39Å; L383-L401 HydrophobicContact CD1-CD1 3.87Å; L383-L401 HydrophobicContact CD2-CB 3.83Å; L383-L401 HydrophobicContact CG-CB 4.43Å; L383-H402 WeakPolarHBondContact CA-O 3.45Å; L383-T403 HydrophobicContact CD2-CG2 3.56Å; L383-T403 HydrophobicContact CG-CG2 4.18Å; L383-F408 HydrophobicContact CD2-CD2 3.5Å; L383-F408 HydrophobicContact CD2-CE2 3.8Å; L383-F408 HydrophobicContact CD2-CG 4.2Å; L383-L424 HydrophobicContact CD1-CD1 4.12Å; L383-L424 HydrophobicContact CD1-CD2 3.55Å; L383-L747 HydrophobicContact CD1-CD1 3.92Å |
| 384 | K | 89.3 | Confident | 74.8 | Confident | 24 Ų | 24 | 33.1 Ų | 33.1 | 10% | 0.104 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 153.7 | 166.2 | -63.9 | -169.6 | 176.5 | -165.3 | 0 | 111.1 | E365 L401 H402 | E365-K384 WeakPolarHBondContact O-CE 3.2Å; E365-K384 PolarHBondContact O-NZ 2.81Å; K384-L401 CarbonylContact O-C 3.58Å; K384-L401 WeakPolarHBondContact O-CA 3.33Å; K384-L401 WeakPolarHBondContact O-CB 3.38Å; K384-H402 PolarHBondContact N-O 2.92Å; K384-H402 PolarHBondContact O-N 2.86Å |
| 385 | S | 86.4 | Confident | 73.6 | Confident | 60 Ų | 60 | 28 Ų | 28 | 42% | 0.42 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 141.4 | 164.5 | 39.6 | 0 | 0 | 0 | 0 | 110.2 | ||
| 386 | C | 80.6 | Confident | 72.7 | Confident | 11 Ų | 11 | 26 Ų | 26 | 7% | 0.074 | 15% | 0.152 | C | C | . | . | trans | -64.7 | 145.4 | 170.2 | -176.8 | 0 | 0 | 0 | 0 | 110.9 | C388 V400 C446 H447 | C386-C388 PolarHBondContact O-N 3.3Å; C386-V400 HydrophobicContact CB-CB 3.64Å; C386-V400 HydrophobicContact CB-CG1 3.72Å; C386-V400 WeakPolarHBondContact CB-O 3.45Å; C386-V400 PolarHBondContact N-O 2.98Å; C386-C446 HydrophobicContact CB-CB 4.47Å; C386-C446 PolarHBondContact SG-O 2.84Å; C386-C446 VanDerWaalsContact SG-SG 3.63Å; C386-H447 VanDerWaalsContact SG-CA 3.52Å | ||
| 387 | D | 66.5 | Low | 72.3 | Confident | 79 Ų | 79 | 25.2 Ų | 25.2 | 42% | 0.422 | 15% | 0.149 | S | C | . | . | trans | -72.5 | 76.2 | 162.1 | -82.7 | 9 | 0 | 0 | 0 | 107.6 | C446 H447 S490 | D387-C446 WeakPolarHBondContact CB-O 3.27Å; D387-C446 PolarHBondContact N-O 3.49Å; D387-H447 WeakPolarHBondContact O-CA 3.09Å; D387-H447 PolarHBondContact O-ND1 2.99Å; D387-S490 WeakPolarHBondContact OD2-CB 3.32Å; D387-S490 PolarHBondContact OD2-OG 3.11Å | ||
| 388 | C | 51.8 | Low | 72 | Confident | 53 Ų | 53 | 27.3 Ų | 27.3 | 36% | 0.358 | 16% | 0.157 | S | C | . | . | trans | -55.2 | 150.9 | 163.2 | -69.8 | 0 | 0 | 0 | 0 | 108.9 | C386 | C386-C388 PolarHBondContact O-N 3.3Š| ||
| 389 | D | 47.8 | Very low | 71.8 | Confident | 39 Ų | 39 | 26.7 Ų | 26.7 | 21% | 0.209 | 15% | 0.154 | C | C | . | . | trans | -58.7 | 173.8 | 179.5 | -138.3 | -38.5 | 0 | 0 | 0 | 111.8 | L391 H447 R492 | D389-L391 PolarHBondContact O-N 2.83Å; D389-H447 IonicContact OD2-CE1 2.57Å; D389-H447 PolarHBondContact OD2-CE1 3.44Å; D389-H447 IonicContact OD2-NE2 3.16Å; D389-R492 WeakPolarHBondContact OD1-CD 3.22Å; D389-R492 IonicContact OD1-NE 3.94Å; D389-R492 PolarHBondContact OD1-NE 2.66Å; D389-R492 WeakPolarHBondContact OD2-CD 3.48Å | ||
| 390 | S | 47.8 | Very low | 71.8 | Confident | 11 Ų | 11 | 26.4 Ų | 26.4 | 8% | 0.077 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -64 | 78 | 166.9 | 177.6 | 0 | 0 | 0 | 0 | 111.8 | Q595 | S390-Q595 WeakPolarHBondContact OG-CG 3.45Å; S390-Q595 PolarHBondContact OG-NE2 2.79Å |
| 391 | L | 51 | Low | 71.8 | Confident | 14 Ų | 14 | 26.4 Ų | 26.4 | 7% | 0.073 | 15% | 0.151 | C | C | . | . | trans | 82 | 36.3 | 136.1 | -44.9 | 173 | 0 | 0 | 0 | 116.7 | D389 M393 Q595 I659 W660 C661 | D389-L391 PolarHBondContact O-N 2.83Å; L391-M393 PolarHBondContact O-N 2.77Å; L391-Q595 VanDerWaalsContact CD1-NE2 3.33Å; L391-I659 HydrophobicContact CD1-CG2 4.22Å; L391-I659 WeakPolarHBondContact CD1-O 3.48Å; L391-I659 WeakPolarHBondContact CD2-O 3.4Å; L391-I659 WeakPolarHBondContact CG-O 3.4Å; L391-W660 HydrophobicContact CB-CB 4.26Å; L391-W660 VanDerWaalsContact CD1-C 3.49Å; L391-W660 HydrophobicContact CD1-CB 4.34Å; L391-W660 HydrophobicContact CD2-CB 3.62Å; L391-W660 HydrophobicContact CD2-CG 3.65Å; L391-W660 HydrophobicContact CG-CB 4.17Å; L391-C661 CarbonylContact C-O 3.55Å; L391-C661 HydrophobicContact CB-CB 3.93Å; L391-C661 VanDerWaalsContact CB-N 3.27Å; L391-C661 WeakPolarHBondContact CB-O 3.26Å; L391-C661 HydrophobicContact CD1-CB 3.44Å; L391-C661 VanDerWaalsContact CD1-CB 3.44Å; L391-C661 VanDerWaalsContact CD1-N 3.28Å; L391-C661 VanDerWaalsContact CD1-SG 3.54Å; L391-C661 HydrophobicContact CG-CB 4.27Å; L391-C661 CarbonylContact O-C 3.57Å | ||
| 392 | A | 51 | Low | 71.9 | Confident | 28 Ų | 28 | 25.7 Ų | 25.7 | 23% | 0.231 | 15% | 0.147 | C | C | . | . | trans | -69.3 | 59.7 | 160.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | E394 V395 C396 V663 | A392-E394 PolarHBondContact O-N 2.91Å; A392-V395 HydrophobicContact CB-CB 4.26Å; A392-V395 HydrophobicContact CB-CG2 4.06Å; A392-V395 PolarHBondContact O-N 2.9Å; A392-C396 PolarHBondContact O-N 2.71Å; A392-V663 HydrophobicContact CB-CG2 4.27Å | ||
| 393 | M | 55.6 | Low | 71.9 | Confident | 7 Ų | 7 | 25.7 Ų | 25.7 | 3% | 0.034 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | -23.1 | 176.2 | -61.5 | 179.8 | 80.5 | 0 | 0 | 114.2 | L391 W660 W677 V726 | L391-M393 PolarHBondContact O-N 2.77Å; M393-W660 HydrophobicContact CE-CB 4.13Å; M393-W660 HydrophobicContact CG-CB 3.9Å; M393-W660 HydrophobicContact SD-CB 3.92Å; M393-W677 HydrophobicContact CE-CB 4.47Å; M393-W677 HydrophobicContact CE-CD2 3.78Å; M393-W677 HydrophobicContact CE-CG 3.56Å; M393-W677 HydrophobicContact SD-CG 4.3Å; M393-V726 WeakPolarHBondContact CA-O 3.5Å; M393-V726 WeakPolarHBondContact CB-O 3.37Å; M393-V726 HydrophobicContact CE-CB 3.39Å; M393-V726 HydrophobicContact CE-CG1 3.21Å; M393-V726 HydrophobicContact CE-CG2 4.38Å |
| 394 | E | 58.1 | Low | 71.9 | Confident | 34 Ų | 34 | 26 Ų | 26 | 16% | 0.159 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -12.4 | -174.2 | -47.8 | -164.5 | 157.2 | 0 | 0 | 112.9 | A392 S664 S673 L729 | A392-E394 PolarHBondContact O-N 2.91Å; E394-S664 WeakPolarHBondContact OE2-CB 3.45Å; E394-S664 PolarHBondContact OE2-OG 3.24Å; E394-S673 WeakPolarHBondContact OE1-CB 3.25Å; E394-L729 HydrophobicContact CB-CD1 3.95Å; E394-L729 HydrophobicContact CB-CG 4.47Å; E394-L729 HydrophobicContact CG-CD1 3.79Å; E394-L729 HydrophobicContact CG-CG 3.92Å; E394-L729 WeakPolarHBondContact OE1-CD2 3.42Å; E394-L729 WeakPolarHBondContact OE1-CG 3.47Å |
| 395 | V | 63.3 | Low | 71.9 | Confident | 72 Ų | 72 | 25.1 Ų | 25.1 | 44% | 0.436 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.1 | -24.7 | -170.2 | -157.8 | 0 | 0 | 0 | 0 | 112.1 | A392 P450 V451 | A392-V395 HydrophobicContact CB-CB 4.26Å; A392-V395 HydrophobicContact CB-CG2 4.06Å; A392-V395 PolarHBondContact O-N 2.9Å; V395-P450 HydrophobicContact CB-CB 4.24Å; V395-P450 HydrophobicContact CB-CG 3.86Å; V395-P450 HydrophobicContact CG1-CB 3.89Å; V395-P450 HydrophobicContact CG1-CG 3.85Å; V395-P450 WeakPolarHBondContact O-CB 3.41Å; V395-V451 HydrophobicContact CG1-CG2 4.3Å |
| 396 | C | 66.4 | Low | 72 | Confident | 14 Ų | 14 | 23.1 Ų | 23.1 | 10% | 0.095 | 13% | 0.128 | C | C | . | . | trans | -106.3 | 108.8 | 178.1 | -169.8 | 0 | 0 | 0 | 0 | 111.8 | A392 R398 P450 V725 | A392-C396 PolarHBondContact O-N 2.71Å; C396-R398 PolarHBondContact SG-O 2.95Å; C396-R398 VanDerWaalsContact SG-O 3.33Å; C396-P450 HydrophobicContact CB-CB 4.24Å; C396-P450 HydrophobicContact CB-CG 4.24Å; C396-V725 VanDerWaalsContact O-CG1 3.29Å; C396-V725 WeakPolarHBondContact O-CG1 3.34Å | ||
| 397 | E | 77.5 | Confident | 72.6 | Confident | 36 Ų | 36 | 22.6 Ų | 22.6 | 17% | 0.168 | 13% | 0.125 | C | C | . | . | trans | -112 | 24.3 | 175.1 | -62.2 | -176.8 | -142.8 | 0 | 0 | 112.5 | N413 K730 | E397-N413 PolarHBondContact O-ND2 2.69Å; E397-K730 WeakPolarHBondContact OE1-CE 3.38Å; E397-K730 IonicContact OE1-NZ 3.98Å; E397-K730 PolarHBondContact OE1-NZ 2.68Å; E397-K730 IonicContact OE2-NZ 2.71Å; E397-K730 PolarHBondContact OE2-NZ 3.39Å | ||
| 398 | R | 80.9 | Confident | 73.6 | Confident | 45 Ų | 45 | 18.9 Ų | 18.9 | 17% | 0.17 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -127.9 | 137.6 | -176.6 | -64.3 | 178.7 | 178.4 | -121.3 | 16.8 | 110.2 | C396 L409 S410 E412 | C396-R398 PolarHBondContact SG-O 2.95Å; C396-R398 VanDerWaalsContact SG-O 3.33Å; R398-L409 HydrophobicContact CB-CD1 3.99Å; R398-L409 HydrophobicContact CG-CD1 4.49Å; R398-S410 VanDerWaalsContact CA-OG 3.27Å; R398-S410 WeakPolarHBondContact CA-OG 3.45Å; R398-S410 PolarHBondContact NH1-O 2.88Å; R398-E412 IonicContact CZ-OE2 3.03Å; R398-E412 IonicContact NE-OE1 4Å; R398-E412 IonicContact NE-OE2 2.97Å; R398-E412 VanDerWaalsContact NH2-CD 3.29Å; R398-E412 IonicContact NH2-OE1 2.77Å; R398-E412 IonicContact NH2-OE2 3.1Å; R398-E412 PolarHBondContact NH2-OE2 2.85Å |
| 399 | I | 85.5 | Confident | 75.4 | Confident | 2 Ų | 2 | 16.4 Ų | 16.4 | 1% | 0.01 | 9% | 0.089 | C | C | . | . | trans | -80.8 | 129.5 | 168.2 | -50.5 | 178.8 | 0 | 0 | 0 | 107.3 | L401 S410 W427 L724 V725 L734 G735 V736 Y749 | I399-L401 HydrophobicContact CG2-CD2 3.82Å; I399-L401 HydrophobicContact CG2-CG 3.92Å; I399-S410 PolarHBondContact N-OG 3.21Å; I399-S410 PolarHBondContact O-N 2.87Å; I399-W427 HydrophobicContact CB-CH2 3.64Å; I399-W427 HydrophobicContact CB-CZ3 3.82Å; I399-W427 HydrophobicContact CD1-CH2 4Å; I399-W427 HydrophobicContact CG1-CH2 4.34Å; I399-W427 HydrophobicContact CG2-CH2 3.82Å; I399-W427 HydrophobicContact CG2-CZ3 3.97Å; I399-L724 HydrophobicContact CD1-CD1 4.44Å; I399-L724 HydrophobicContact CG2-CB 4.37Å; I399-L724 HydrophobicContact CG2-CD1 3.83Å; I399-V725 HydrophobicContact CG1-CG2 4.21Å; I399-L734 HydrophobicContact CD1-CB 4.03Å; I399-L734 HydrophobicContact CG1-CB 4.04Å; I399-G735 WeakPolarHBondContact CD1-O 3.42Å; I399-V736 HydrophobicContact CD1-CG2 3.91Å; I399-Y749 HydrophobicContact CD1-CD2 3.89Å; I399-Y749 HydrophobicContact CD1-CE2 4.05Å; I399-Y749 HydrophobicContact CG1-CE2 4.44Å | ||
| 400 | V | 88.3 | Confident | 77.1 | Confident | 4 Ų | 4 | 14.6 Ų | 14.6 | 2% | 0.024 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 117 | 172.9 | -169.6 | 0 | 0 | 0 | 0 | 108 | C386 V407 F408 L409 F448 | C386-V400 HydrophobicContact CB-CB 3.64Å; C386-V400 HydrophobicContact CB-CG1 3.72Å; C386-V400 WeakPolarHBondContact CB-O 3.45Å; C386-V400 PolarHBondContact N-O 2.98Å; V400-V407 HydrophobicContact CG1-CG1 3.6Å; V400-F408 WeakPolarHBondContact CA-O 3.45Å; V400-L409 HydrophobicContact CG2-CD1 3.72Å; V400-F448 HydrophobicContact CG1-CB 4.46Å; V400-F448 HydrophobicContact CG2-CB 3.92Å; V400-F448 HydrophobicContact CG2-CD1 3.64Å; V400-F448 HydrophobicContact CG2-CE1 4.37Å; V400-F448 HydrophobicContact CG2-CG 3.86Å |
| 401 | L | 90.2 | Very high | 78.6 | Confident | 1 Ų | 1 | 16.4 Ų | 16.4 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 157.2 | 174.9 | -55.1 | 179.2 | 0 | 0 | 0 | 109.4 | L383 K384 I399 V407 F408 W427 L724 V736 | L383-L401 HydrophobicContact CB-CB 4.39Å; L383-L401 HydrophobicContact CB-CD1 4.44Å; L383-L401 HydrophobicContact CD1-CB 4.39Å; L383-L401 HydrophobicContact CD1-CD1 3.87Å; L383-L401 HydrophobicContact CD2-CB 3.83Å; L383-L401 HydrophobicContact CG-CB 4.43Å; K384-L401 CarbonylContact O-C 3.58Å; K384-L401 WeakPolarHBondContact O-CA 3.33Å; K384-L401 WeakPolarHBondContact O-CB 3.38Å; I399-L401 HydrophobicContact CG2-CD2 3.82Å; I399-L401 HydrophobicContact CG2-CG 3.92Å; L401-V407 CarbonylContact O-C 3.48Å; L401-V407 WeakPolarHBondContact O-CA 3.46Å; L401-F408 HydrophobicContact CB-CB 4.36Å; L401-F408 PolarHBondContact N-O 2.83Å; L401-F408 PolarHBondContact O-N 3.29Å; L401-W427 HydrophobicContact CD1-CH2 4.11Å; L401-W427 HydrophobicContact CD1-CZ3 3.95Å; L401-W427 HydrophobicContact CG-CZ3 4.05Å; L401-L724 HydrophobicContact CD2-CD1 4.26Å; L401-V736 HydrophobicContact CD1-CG2 4.25Å |
| 402 | H | 91.6 | Very high | 79.6 | Confident | 5 Ų | 5 | 21 Ų | 21 | 2% | 0.023 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 159.3 | 175 | 75 | 98 | 0 | 0 | 0 | 112.8 | H367 L383 K384 R406 V407 V443 C446 | H367-H402 AromaticContact CE1-CE1 3.7Å; H367-H402 AromaticContact CE1-ND1 3.71Å; L383-H402 WeakPolarHBondContact CA-O 3.45Å; K384-H402 PolarHBondContact N-O 2.92Å; K384-H402 PolarHBondContact O-N 2.86Å; H402-R406 CarbonylContact C-O 3.52Å; H402-R406 VanDerWaalsContact CA-O 3.29Å; H402-R406 WeakPolarHBondContact CA-O 3.38Å; H402-V407 HydrophobicContact CB-CG2 4.2Å; H402-V443 WeakPolarHBondContact ND1-CG1 3.39Å; H402-C446 HydrophobicContact CB-CB 4.03Å; H402-C446 VanDerWaalsContact CD2-CB 3.5Å; H402-C446 WeakPolarHBondContact CD2-CB 3.27Å |
| 403 | T | 91.2 | Very high | 80.2 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.108 | C | C | . | . | trans | -113.1 | -157.4 | 173 | 52.8 | 0 | 0 | 0 | 0 | 108.5 | H367 L381 L383 D405 R406 F408 | H367-T403 PolarHBondContact CE1-O 2.57Å; H367-T403 VanDerWaalsContact CE1-O 3.24Å; L381-T403 HydrophobicContact CD1-CG2 4.21Å; L381-T403 HydrophobicContact CD2-CG2 4.16Å; L381-T403 HydrophobicContact CG-CG2 4.23Å; L383-T403 HydrophobicContact CD2-CG2 3.56Å; L383-T403 HydrophobicContact CG-CG2 4.18Å; T403-D405 PolarHBondContact OG1-OD1 2.97Å; T403-D405 VanDerWaalsContact OG1-OD1 3.12Å; T403-R406 PolarHBondContact N-O 3.13Å; T403-R406 PolarHBondContact OG1-N 3.43Å; T403-R406 PolarHBondContact OG1-O 3.49Å; T403-F408 HydrophobicContact CG2-CE2 3.96Å | ||
| 404 | H | 90.2 | Very high | 80.3 | Confident | 7 Ų | 7 | 28.6 Ų | 28.6 | 3% | 0.032 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -78.8 | -16.2 | 175.5 | 63.6 | 66.5 | 0 | 0 | 0 | 114.2 | F47 E108 H367 H368 W441 P442 V443 | F47-H404 AromaticContact CE2-CE1 3.87Å; F47-H404 AromaticContact CE2-NE2 3.8Å; F47-H404 AromaticContact CZ-CE1 3.6Å; E108-H404 IonicContact OE1-CE1 3.82Å; E108-H404 PolarHBondContact OE1-CE1 3.14Å; H367-H404 HydrophobicContact CB-CB 4.04Å; H368-H404 AromaticContact CE1-CD2 3.11Å; H368-H404 PolarHBondContact CE1-CD2 2.86Å; H368-H404 AromaticContact CE1-NE2 3.45Å; H368-H404 PolarHBondContact CE1-NE2 3.17Å; H368-H404 AromaticContact NE2-CD2 3.35Å; H368-H404 PolarHBondContact NE2-CD2 2.71Å; H368-H404 VanDerWaalsContact NE2-CD2 3.35Å; H368-H404 AromaticContact NE2-NE2 3.32Å; H368-H404 PolarHBondContact NE2-NE2 3.19Å; H404-W441 HydrophobicContact CB-CZ2 4Å; H404-W441 AromaticContact CE1-NE1 3.91Å; H404-W441 AromaticContact CG-CE2 3.97Å; H404-W441 AromaticContact CG-NE1 3.41Å; H404-W441 AromaticContact ND1-CD1 3.85Å; H404-W441 AromaticContact ND1-NE1 3.04Å; H404-W441 PolarHBondContact ND1-NE1 2.82Å; H404-P442 HydrophobicContact CB-CB 3.83Å; H404-V443 WeakPolarHBondContact O-CG2 3.34Å; H404-V443 PolarHBondContact O-N 3.46Å; H404-V443 VanDerWaalsContact O-N 3.07Å |
| 405 | D | 89 | Confident | 80.1 | Confident | 5 Ų | 5 | 31 Ų | 31 | 3% | 0.027 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -136.4 | -21.6 | -175.1 | 72.1 | -48.1 | 0 | 0 | 0 | 114.6 | E108 T403 V432 L437 | E108-D405 VanDerWaalsContact OE2-OD2 3.1Å; T403-D405 PolarHBondContact OG1-OD1 2.97Å; T403-D405 VanDerWaalsContact OG1-OD1 3.12Å; D405-V432 VanDerWaalsContact O-CB 3.22Å; D405-V432 WeakPolarHBondContact O-CB 3.07Å; D405-V432 WeakPolarHBondContact O-CG2 3.24Å; D405-V432 PolarHBondContact O-N 3.13Å; D405-L437 HydrophobicContact CB-CD1 3.59Å |
| 406 | R | 88.6 | Confident | 79.6 | Confident | 18 Ų | 18 | 30.9 Ų | 30.9 | 7% | 0.068 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 147.9 | -176 | -76.7 | 162 | -138.1 | -158.4 | 7.6 | 113.5 | E108 H402 T403 F408 I430 H431 | E108-R406 IonicContact OE2-CZ 2.62Å; E108-R406 IonicContact OE2-NH2 3.85Å; E108-R406 PolarHBondContact OE2-NH2 3.36Å; H402-R406 CarbonylContact C-O 3.52Å; H402-R406 VanDerWaalsContact CA-O 3.29Å; H402-R406 WeakPolarHBondContact CA-O 3.38Å; T403-R406 PolarHBondContact N-O 3.13Å; T403-R406 PolarHBondContact OG1-N 3.43Å; T403-R406 PolarHBondContact OG1-O 3.49Å; R406-F408 HydrophobicContact CB-CD2 4.45Å; R406-F408 HydrophobicContact CB-CE2 3.85Å; R406-F408 HydrophobicContact CB-CZ 4.49Å; R406-I430 WeakPolarHBondContact CA-O 3.35Å; R406-H431 HydrophobicContact CG-CB 4.31Å; R406-H431 PolarHBondContact NE-CE1 3.22Å; R406-H431 PolarHBondContact NE-ND1 2.94Å; R406-H431 PolarHBondContact NH1-CE1 3.45Å; R406-H431 VanDerWaalsContact NH1-CE1 3.27Å |
| 407 | V | 91.7 | Very high | 78.7 | Confident | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 136.3 | 166.5 | -174.3 | 0 | 0 | 0 | 0 | 109.4 | V400 L401 H402 I430 I455 V457 | V400-V407 HydrophobicContact CG1-CG1 3.6Å; L401-V407 CarbonylContact O-C 3.48Å; L401-V407 WeakPolarHBondContact O-CA 3.46Å; H402-V407 HydrophobicContact CB-CG2 4.2Å; V407-I430 PolarHBondContact N-O 3.47Å; V407-I430 PolarHBondContact O-N 3.36Å; V407-I455 HydrophobicContact CB-CG2 4.44Å; V407-I455 HydrophobicContact CG1-CD1 4.31Å; V407-I455 HydrophobicContact CG1-CG2 4.07Å; V407-I455 HydrophobicContact CG2-CG2 4.08Å; V407-V457 HydrophobicContact CG2-CG2 3.97Å |
| 408 | F | 89.2 | Confident | 77.1 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 122.5 | 178.4 | -68 | -103.4 | 0 | 0 | 0 | 108.7 | F112 L383 V400 L401 T403 R406 L424 W427 Q429 | F112-F408 AromaticContact CE2-CE1 3.73Å; F112-F408 HydrophobicContact CE2-CE1 3.73Å; F112-F408 HydrophobicContact CE2-CZ 4.09Å; F112-F408 HydrophobicContact CZ-CE1 4.01Å; L383-F408 HydrophobicContact CD2-CD2 3.5Å; L383-F408 HydrophobicContact CD2-CE2 3.8Å; L383-F408 HydrophobicContact CD2-CG 4.2Å; V400-F408 WeakPolarHBondContact CA-O 3.45Å; L401-F408 HydrophobicContact CB-CB 4.36Å; L401-F408 PolarHBondContact N-O 2.83Å; L401-F408 PolarHBondContact O-N 3.29Å; T403-F408 HydrophobicContact CG2-CE2 3.96Å; R406-F408 HydrophobicContact CB-CD2 4.45Å; R406-F408 HydrophobicContact CB-CE2 3.85Å; R406-F408 HydrophobicContact CB-CZ 4.49Å; F408-L424 HydrophobicContact CB-CD1 4.33Å; F408-L424 HydrophobicContact CD1-CD1 3.74Å; F408-L424 HydrophobicContact CD1-CD2 4.49Å; F408-L424 HydrophobicContact CD1-CG 4.08Å; F408-L424 HydrophobicContact CE1-CD1 4.4Å; F408-L424 HydrophobicContact CE1-CD2 4.39Å; F408-L424 HydrophobicContact CE1-CG 4.26Å; F408-L424 HydrophobicContact CG-CD1 4.24Å; F408-W427 HydrophobicContact CB-CE3 4.23Å; F408-Q429 HydrophobicContact CD1-CG 3.9Å; F408-Q429 HydrophobicContact CE1-CG 3.73Å |
| 409 | L | 88.3 | Confident | 75.8 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 120.7 | -178.5 | -178.6 | 67.4 | 0 | 0 | 0 | 109.7 | R398 V400 H428 I468 | R398-L409 HydrophobicContact CB-CD1 3.99Å; R398-L409 HydrophobicContact CG-CD1 4.49Å; V400-L409 HydrophobicContact CG2-CD1 3.72Å; L409-H428 HydrophobicContact CB-CB 4.32Å; L409-H428 PolarHBondContact N-O 3.03Å; L409-H428 PolarHBondContact O-N 3.31Å; L409-I468 HydrophobicContact CD2-CD1 3.88Å |
| 410 | S | 84.7 | Confident | 74.3 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.007 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 159.1 | 178.3 | 79.4 | 0 | 0 | 0 | 0 | 111.9 | R398 I399 | R398-S410 VanDerWaalsContact CA-OG 3.27Å; R398-S410 WeakPolarHBondContact CA-OG 3.45Å; R398-S410 PolarHBondContact NH1-O 2.88Å; I399-S410 PolarHBondContact N-OG 3.21Å; I399-S410 PolarHBondContact O-N 2.87Å |
| 411 | P | 78.4 | Confident | 73 | Confident | 49 Ų | 49 | 51.5 Ų | 51.5 | 32% | 0.318 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -52.3 | 154.3 | 164.5 | -24.4 | 35 | 0 | 0 | 0 | 111.8 | ||
| 412 | E | 71.5 | Confident | 71.8 | Confident | 109 Ų | 109 | 56.9 Ų | 56.9 | 51% | 0.509 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -83.4 | 132.9 | 173.8 | -153.7 | 151.4 | -148.6 | 0 | 0 | 108.9 | R398 Q414 | R398-E412 IonicContact CZ-OE2 3.03Å; R398-E412 IonicContact NE-OE1 4Å; R398-E412 IonicContact NE-OE2 2.97Å; R398-E412 VanDerWaalsContact NH2-CD 3.29Å; R398-E412 IonicContact NH2-OE1 2.77Å; R398-E412 IonicContact NH2-OE2 3.1Å; R398-E412 PolarHBondContact NH2-OE2 2.85Å; E412-Q414 PolarHBondContact O-N 2.66Å |
| 413 | N | 63.6 | Low | 70.8 | Confident | 31 Ų | 31 | 57.8 Ų | 57.8 | 17% | 0.166 | 32% | 0.321 | C | S | . | . | trans | -70.7 | 91.4 | -178.3 | -78.5 | -65.5 | 0 | 0 | 0 | 111.5 | E397 I415 L734 Y749 | E397-N413 PolarHBondContact O-ND2 2.69Å; N413-I415 PolarHBondContact O-N 2.99Å; N413-L734 WeakPolarHBondContact ND2-CD1 3.36Å; N413-Y749 PolarHBondContact ND2-OH 2.78Å; N413-Y749 PolarHBondContact OD1-OH 3.43Å | ||
| 414 | Q | 58.9 | Low | 70 | Confident | 164 Ų | 164 | 57.9 Ų | 57.9 | 77% | 0.766 | 32% | 0.322 | S | S | * | . | trans | -67.6 | 113.5 | 161.5 | -67 | -165.9 | 64.6 | 0 | 0 | 108.3 | E412 G416 | E412-Q414 PolarHBondContact O-N 2.66Å; Q414-G416 PolarHBondContact O-N 3.07Å | ||
| 415 | I | 53.4 | Low | 69.1 | Low | 86 Ų | 86 | 60.5 Ų | 60.5 | 44% | 0.441 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | 99 | -177 | -56.6 | 170.5 | 0 | 0 | 0 | 108.7 | N413 K730 P782 | N413-I415 PolarHBondContact O-N 2.99Å; I415-K730 HydrophobicContact CD1-CD 3.92Å; I415-K730 VanDerWaalsContact CD1-CE 3.48Å; I415-K730 HydrophobicContact CG1-CD 4.38Å; I415-P782 HydrophobicContact CG2-CG 3.43Å; I415-P782 VanDerWaalsContact CG2-CG 3.43Å |
| 416 | G | 52.1 | Low | 68.4 | Low | 68 Ų | 68 | 66.3 Ų | 66.3 | 70% | 0.701 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 155.9 | -35.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q414 | Q414-G416 PolarHBondContact O-N 3.07Š|
| 417 | D | 47.1 | Very low | 68.2 | Low | 140 Ų | 140 | 65.9 Ų | 65.9 | 75% | 0.749 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -81.6 | 155.6 | -173.8 | -71.7 | -35.9 | 0 | 0 | 0 | 113.5 | ||
| 418 | A | 44.7 | Very low | 67.9 | Low | 82 Ų | 82 | 70 Ų | 70 | 68% | 0.678 | 38% | 0.384 | S | S | * | . | trans | -58.8 | 151.7 | -163.8 | 0 | 0 | 0 | 0 | 0 | 115 | T420 | A418-T420 PolarHBondContact O-N 3.23Š| ||
| 419 | Q | 53 | Low | 67.8 | Low | 173 Ų | 173 | 72.5 Ų | 72.5 | 81% | 0.808 | 40% | 0.395 | S | S | * | . | trans | -70.8 | 42.4 | -177.7 | -59.4 | -178.2 | -8.9 | 0 | 0 | 114.5 | P421 | Q419-P421 VanDerWaalsContact O-CD 3.24Å; Q419-P421 WeakPolarHBondContact O-CD 3.2Å | ||
| 420 | T | 55.7 | Low | 67.9 | Low | 84 Ų | 84 | 72.7 Ų | 72.7 | 52% | 0.515 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -73.8 | 116.1 | 170 | 37.7 | 0 | 0 | 0 | 0 | 109.5 | A418 W422 | A418-T420 PolarHBondContact O-N 3.23Å; T420-W422 PolarHBondContact O-N 2.96Å |
| 421 | P | 60.5 | Low | 68.2 | Low | 56 Ų | 56 | 77 Ų | 77 | 36% | 0.364 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 126.8 | 171.6 | 26.2 | -32.7 | 0 | 0 | 0 | 108.6 | Q419 P423 E748 Y749 | Q419-P421 VanDerWaalsContact O-CD 3.24Å; Q419-P421 WeakPolarHBondContact O-CD 3.2Å; P421-P423 WeakPolarHBondContact O-CD 3.3Å; P421-E748 HydrophobicContact CB-CB 4.17Å; P421-E748 WeakPolarHBondContact CG-OE2 3.49Å; P421-Y749 WeakPolarHBondContact CB-O 3.33Å |
| 422 | W | 65.6 | Low | 68.9 | Low | 113 Ų | 113 | 74.9 Ų | 74.9 | 43% | 0.428 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -88.7 | 119.2 | 177.3 | -68 | 97.4 | 0 | 0 | 0 | 109.3 | T420 F426 W427 | T420-W422 PolarHBondContact O-N 2.96Å; W422-F426 HydrophobicContact CB-CB 4.49Å; W422-F426 HydrophobicContact CE3-CB 4.1Å; W422-F426 AromaticContact CE3-CD1 3.83Å; W422-F426 HydrophobicContact CE3-CD1 3.83Å; W422-F426 HydrophobicContact CE3-CD2 4.39Å; W422-F426 HydrophobicContact CE3-CE1 4.34Å; W422-F426 AromaticContact CE3-CG 3.86Å; W422-F426 HydrophobicContact CE3-CG 3.86Å; W422-F426 AromaticContact CZ3-CD1 3.88Å; W422-F426 HydrophobicContact CZ3-CD1 3.88Å; W422-F426 HydrophobicContact CZ3-CE1 4.06Å; W422-F426 HydrophobicContact CZ3-CG 4.37Å; W422-W427 PolarHBondContact O-NE1 2.99Å |
| 423 | P | 70.5 | Confident | 69.9 | Low | 24 Ų | 24 | 70.5 Ų | 70.5 | 16% | 0.156 | 38% | 0.384 | C | S | . | . | B | Isolated β-bridge | trans | -59 | 152 | 174 | -19.9 | 29.2 | 0 | 0 | 0 | 111.4 | P421 S425 F426 L746 | P421-P423 WeakPolarHBondContact O-CD 3.3Å; P423-S425 PolarHBondContact O-N 3.06Å; P423-F426 HydrophobicContact CB-CD2 4.15Å; P423-F426 HydrophobicContact CG-CD2 4.01Å; P423-F426 HydrophobicContact CG-CE2 4.11Å; P423-F426 WeakPolarHBondContact O-CB 3.24Å; P423-F426 PolarHBondContact O-N 3.33Å; P423-L746 HydrophobicContact CB-CD2 4.16Å; P423-L746 HydrophobicContact CB-CG 4.26Å; P423-L746 HydrophobicContact CG-CD2 3.91Å |
| 424 | L | 72.7 | Confident | 70.9 | Confident | 3 Ų | 3 | 71 Ų | 71 | 2% | 0.016 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -51.3 | -29 | 177.4 | -175.2 | 69.5 | 0 | 0 | 0 | 114.4 | V4 F112 L383 F408 F426 W427 L747 | V4-L424 HydrophobicContact CG1-CD2 3.82Å; V4-L424 HydrophobicContact CG2-CD2 3.91Å; F112-L424 HydrophobicContact CE1-CD2 4.39Å; F112-L424 HydrophobicContact CE1-CG 4.48Å; F112-L424 HydrophobicContact CZ-CD2 3.83Å; F112-L424 HydrophobicContact CZ-CG 4.03Å; L383-L424 HydrophobicContact CD1-CD1 4.12Å; L383-L424 HydrophobicContact CD1-CD2 3.55Å; F408-L424 HydrophobicContact CB-CD1 4.33Å; F408-L424 HydrophobicContact CD1-CD1 3.74Å; F408-L424 HydrophobicContact CD1-CD2 4.49Å; F408-L424 HydrophobicContact CD1-CG 4.08Å; F408-L424 HydrophobicContact CE1-CD1 4.4Å; F408-L424 HydrophobicContact CE1-CD2 4.39Å; F408-L424 HydrophobicContact CE1-CG 4.26Å; F408-L424 HydrophobicContact CG-CD1 4.24Å; L424-F426 PolarHBondContact O-N 2.75Å; L424-W427 HydrophobicContact CD1-CB 4.34Å; L424-W427 HydrophobicContact CD1-CD2 3.82Å; L424-W427 HydrophobicContact CD1-CE3 4Å; L424-W427 HydrophobicContact CD1-CG 4.01Å; L424-W427 WeakPolarHBondContact O-CB 3.27Å; L424-W427 PolarHBondContact O-N 3.32Å; L424-L747 HydrophobicContact CB-CB 4.18Å; L424-L747 HydrophobicContact CD2-CD1 3.98Å; L424-L747 PolarHBondContact N-O 3.07Å; L424-L747 VanDerWaalsContact N-O 3.1Å |
| 425 | S | 71.3 | Confident | 72.3 | Confident | 61 Ų | 61 | 69.1 Ų | 69.1 | 43% | 0.427 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -60.5 | -24.7 | 175.3 | 54.7 | 0 | 0 | 0 | 0 | 114.1 | P423 | P423-S425 PolarHBondContact O-N 3.06Š|
| 426 | F | 75.3 | Confident | 74.1 | Confident | 128 Ų | 128 | 65 Ų | 65 | 56% | 0.561 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -87.9 | -7.7 | 176.2 | -70.4 | -96.4 | 0 | 0 | 0 | 113.7 | W422 P423 L424 | W422-F426 HydrophobicContact CB-CB 4.49Å; W422-F426 HydrophobicContact CE3-CB 4.1Å; W422-F426 AromaticContact CE3-CD1 3.83Å; W422-F426 HydrophobicContact CE3-CD1 3.83Å; W422-F426 HydrophobicContact CE3-CD2 4.39Å; W422-F426 HydrophobicContact CE3-CE1 4.34Å; W422-F426 AromaticContact CE3-CG 3.86Å; W422-F426 HydrophobicContact CE3-CG 3.86Å; W422-F426 AromaticContact CZ3-CD1 3.88Å; W422-F426 HydrophobicContact CZ3-CD1 3.88Å; W422-F426 HydrophobicContact CZ3-CE1 4.06Å; W422-F426 HydrophobicContact CZ3-CG 4.37Å; P423-F426 HydrophobicContact CB-CD2 4.15Å; P423-F426 HydrophobicContact CG-CD2 4.01Å; P423-F426 HydrophobicContact CG-CE2 4.11Å; P423-F426 WeakPolarHBondContact O-CB 3.24Å; P423-F426 PolarHBondContact O-N 3.33Å; L424-F426 PolarHBondContact O-N 2.75Å |
| 427 | W | 83.4 | Confident | 75.8 | Confident | 8 Ų | 8 | 62 Ų | 62 | 3% | 0.03 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -73 | 153.3 | 179.2 | -68.1 | 36.6 | 0 | 0 | 0 | 110.5 | I399 L401 F408 W422 L424 Q429 V736 Y749 | I399-W427 HydrophobicContact CB-CH2 3.64Å; I399-W427 HydrophobicContact CB-CZ3 3.82Å; I399-W427 HydrophobicContact CD1-CH2 4Å; I399-W427 HydrophobicContact CG1-CH2 4.34Å; I399-W427 HydrophobicContact CG2-CH2 3.82Å; I399-W427 HydrophobicContact CG2-CZ3 3.97Å; L401-W427 HydrophobicContact CD1-CH2 4.11Å; L401-W427 HydrophobicContact CD1-CZ3 3.95Å; L401-W427 HydrophobicContact CG-CZ3 4.05Å; F408-W427 HydrophobicContact CB-CE3 4.23Å; W422-W427 PolarHBondContact O-NE1 2.99Å; L424-W427 HydrophobicContact CD1-CB 4.34Å; L424-W427 HydrophobicContact CD1-CD2 3.82Å; L424-W427 HydrophobicContact CD1-CE3 4Å; L424-W427 HydrophobicContact CD1-CG 4.01Å; L424-W427 WeakPolarHBondContact O-CB 3.27Å; L424-W427 PolarHBondContact O-N 3.32Å; W427-Q429 WeakPolarHBondContact O-CG 3.42Å; W427-Q429 PolarHBondContact O-N 2.84Å; W427-Q429 VanDerWaalsContact O-N 3.12Å; W427-V736 HydrophobicContact CH2-CG2 3.73Å; W427-V736 HydrophobicContact CZ2-CG2 4.04Å; W427-Y749 HydrophobicContact CZ2-CD2 4.3Å |
| 428 | H | 85.8 | Confident | 77.5 | Confident | 89 Ų | 89 | 56.4 Ų | 56.4 | 41% | 0.412 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 108.6 | -179.2 | -164 | 59.8 | 0 | 0 | 0 | 110.1 | L409 | L409-H428 HydrophobicContact CB-CB 4.32Å; L409-H428 PolarHBondContact N-O 3.03Å; L409-H428 PolarHBondContact O-N 3.31Å |
| 429 | Q | 87.4 | Confident | 79.3 | Confident | 51 Ų | 51 | 57.3 Ų | 57.3 | 24% | 0.238 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 119.7 | -178.1 | -49.7 | -171.5 | 19.9 | 0 | 0 | 110.3 | F112 F408 W427 | F112-Q429 VanDerWaalsContact CE2-NE2 3.27Å; F408-Q429 HydrophobicContact CD1-CG 3.9Å; F408-Q429 HydrophobicContact CE1-CG 3.73Å; W427-Q429 WeakPolarHBondContact O-CG 3.42Å; W427-Q429 PolarHBondContact O-N 2.84Å; W427-Q429 VanDerWaalsContact O-N 3.12Å |
| 430 | I | 91.2 | Very high | 81 | Confident | 6 Ų | 6 | 49.1 Ų | 49.1 | 3% | 0.031 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 106.7 | -177.9 | -51.3 | 166 | 0 | 0 | 0 | 107.5 | R406 V407 I455 Y466 W473 | R406-I430 WeakPolarHBondContact CA-O 3.35Å; V407-I430 PolarHBondContact N-O 3.47Å; V407-I430 PolarHBondContact O-N 3.36Å; I430-I455 HydrophobicContact CD1-CD1 3.53Å; I430-Y466 HydrophobicContact CD1-CD1 3.89Å; I430-Y466 HydrophobicContact CD1-CE1 3.64Å; I430-Y466 HydrophobicContact CG1-CE1 4.17Å; I430-Y466 HydrophobicContact CG2-CD1 3.96Å; I430-Y466 HydrophobicContact CG2-CD2 3.88Å; I430-Y466 HydrophobicContact CG2-CE1 3.97Å; I430-Y466 HydrophobicContact CG2-CE2 3.92Å; I430-Y466 HydrophobicContact CG2-CG 3.89Å; I430-W473 HydrophobicContact CG2-CZ2 3.71Å |
| 431 | H | 91 | Very high | 82.5 | Confident | 91 Ų | 91 | 45.3 Ų | 45.3 | 42% | 0.421 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 131.8 | 174.7 | -62.5 | -118.3 | 0 | 0 | 0 | 109.9 | R406 W473 | R406-H431 HydrophobicContact CG-CB 4.31Å; R406-H431 PolarHBondContact NE-CE1 3.22Å; R406-H431 PolarHBondContact NE-ND1 2.94Å; R406-H431 PolarHBondContact NH1-CE1 3.45Å; R406-H431 VanDerWaalsContact NH1-CE1 3.27Å; H431-W473 PolarHBondContact O-NE1 2.76Å |
| 432 | V | 91.9 | Very high | 83.9 | Confident | 5 Ų | 5 | 42.7 Ų | 42.7 | 3% | 0.03 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -70.4 | 143.8 | 168.7 | -178.3 | 0 | 0 | 0 | 0 | 108.6 | D405 T434 Y436 L437 V443 V457 T464 W473 | D405-V432 VanDerWaalsContact O-CB 3.22Å; D405-V432 WeakPolarHBondContact O-CB 3.07Å; D405-V432 WeakPolarHBondContact O-CG2 3.24Å; D405-V432 PolarHBondContact O-N 3.13Å; V432-T434 PolarHBondContact O-N 3.25Å; V432-Y436 HydrophobicContact CG1-CD1 3.65Å; V432-Y436 HydrophobicContact CG1-CE1 4.39Å; V432-Y436 HydrophobicContact CG1-CG 4.4Å; V432-L437 HydrophobicContact CB-CD1 4.06Å; V432-L437 HydrophobicContact CB-CD2 4.21Å; V432-L437 HydrophobicContact CB-CG 4.11Å; V432-L437 HydrophobicContact CG1-CD1 4.4Å; V432-L437 HydrophobicContact CG1-CD2 3.92Å; V432-L437 HydrophobicContact CG1-CG 3.91Å; V432-V443 HydrophobicContact CG2-CG2 4.1Å; V432-V457 HydrophobicContact CG1-CG1 4.46Å; V432-V457 HydrophobicContact CG2-CG1 4.05Å; V432-V457 HydrophobicContact CG2-CG2 4.26Å; V432-T464 HydrophobicContact CG1-CG2 4.05Å; V432-W473 HydrophobicContact CB-CH2 4.42Å; V432-W473 HydrophobicContact CB-CZ2 4.24Å; V432-W473 HydrophobicContact CG2-CH2 3.79Å; V432-W473 HydrophobicContact CG2-CZ2 3.87Å |
| 433 | P | 91.9 | Very high | 85.1 | Confident | 18 Ų | 18 | 37.3 Ų | 37.3 | 12% | 0.117 | 19% | 0.185 | C | C | . | . | P | Polyproline II helix | trans | -60.3 | 138.4 | -175.5 | -23.7 | 35.3 | 0 | 0 | 0 | 112 | E435 Y436 L437 W473 L475 | P433-E435 VanDerWaalsContact CB-OE2 3.28Å; P433-E435 WeakPolarHBondContact CB-OE2 3.2Å; P433-E435 PolarHBondContact O-N 3.18Å; P433-Y436 WeakPolarHBondContact O-CB 3.22Å; P433-Y436 PolarHBondContact O-N 3.12Å; P433-L437 PolarHBondContact O-N 3.3Å; P433-W473 HydrophobicContact CG-CB 3.65Å; P433-W473 HydrophobicContact CG-CD2 3.88Å; P433-W473 HydrophobicContact CG-CG 3.44Å; P433-W473 VanDerWaalsContact CG-CG 3.44Å; P433-L475 HydrophobicContact CB-CD2 4.26Å; P433-L475 HydrophobicContact CG-CD1 4.21Å; P433-L475 HydrophobicContact CG-CD2 4.49Å |
| 434 | T | 86 | Confident | 86 | Confident | 42 Ų | 42 | 39 Ų | 39 | 26% | 0.258 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -67 | -26.2 | 178.4 | 42.9 | 0 | 0 | 0 | 0 | 112.8 | A120 I122 V432 S438 | A120-T434 HydrophobicContact CB-CG2 3.47Å; A120-T434 VanDerWaalsContact CB-CG2 3.47Å; I122-T434 HydrophobicContact CD1-CG2 4.41Å; I122-T434 HydrophobicContact CG1-CG2 3.75Å; V432-T434 PolarHBondContact O-N 3.25Å; T434-S438 WeakPolarHBondContact O-CB 3.45Å; T434-S438 PolarHBondContact O-N 3.19Å |
| 435 | E | 88 | Confident | 86.7 | Confident | 123 Ų | 123 | 39.9 Ų | 39.9 | 58% | 0.575 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -55.3 | -54.6 | 170.4 | -61 | 77.9 | -175.6 | 0 | 0 | 109.6 | P433 S438 L475 | P433-E435 VanDerWaalsContact CB-OE2 3.28Å; P433-E435 WeakPolarHBondContact CB-OE2 3.2Å; P433-E435 PolarHBondContact O-N 3.18Å; E435-S438 PolarHBondContact O-OG 3.48Å; E435-L475 HydrophobicContact CB-CD2 4.15Å |
| 436 | Y | 91.3 | Very high | 87.6 | Confident | 1 Ų | 1 | 37 Ų | 37 | 0% | 0.004 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.2 | -51.4 | 176.5 | -178.2 | -98.1 | 0 | 0 | 0 | 112.3 | V432 P433 S438 C440 G459 R461 G462 F463 T464 E482 | V432-Y436 HydrophobicContact CG1-CD1 3.65Å; V432-Y436 HydrophobicContact CG1-CE1 4.39Å; V432-Y436 HydrophobicContact CG1-CG 4.4Å; P433-Y436 WeakPolarHBondContact O-CB 3.22Å; P433-Y436 PolarHBondContact O-N 3.12Å; Y436-S438 PolarHBondContact O-N 2.71Å; Y436-C440 HydrophobicContact CD1-CB 4.09Å; Y436-C440 HydrophobicContact CD2-CB 4.23Å; Y436-C440 HydrophobicContact CE1-CB 3.67Å; Y436-C440 HydrophobicContact CE2-CB 3.79Å; Y436-C440 HydrophobicContact CG-CB 4.34Å; Y436-C440 VanDerWaalsContact CZ-CB 3.47Å; Y436-C440 VanDerWaalsContact O-CB 3.24Å; Y436-C440 WeakPolarHBondContact O-CB 3.42Å; Y436-C440 PolarHBondContact O-N 3.42Å; Y436-G459 WeakPolarHBondContact OH-CA 3.49Å; Y436-G459 PolarHBondContact OH-N 3.41Å; Y436-R461 PolarHBondContact OH-O 2.91Å; Y436-G462 PolarHBondContact OH-O 3.33Å; Y436-F463 WeakPolarHBondContact OH-CA 3.29Å; Y436-T464 HydrophobicContact CD1-CG2 3.76Å; Y436-T464 HydrophobicContact CD2-CG2 3.82Å; Y436-T464 HydrophobicContact CE1-CG2 3.97Å; Y436-T464 HydrophobicContact CE2-CG2 4.08Å; Y436-T464 HydrophobicContact CG-CG2 3.69Å; Y436-E482 VanDerWaalsContact CD2-CD 3.48Å; Y436-E482 HydrophobicContact CD2-CG 4.44Å; Y436-E482 WeakPolarHBondContact CD2-OE1 3.48Å; Y436-E482 HydrophobicContact CE2-CG 4.15Å |
| 437 | L | 88.5 | Confident | 88.3 | Confident | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.016 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.9 | -23.4 | -174.6 | -68.4 | 176.4 | 0 | 0 | 0 | 114 | I122 D405 V432 P433 Y439 W441 V443 | I122-L437 HydrophobicContact CD1-CD1 4.29Å; D405-L437 HydrophobicContact CB-CD1 3.59Å; V432-L437 HydrophobicContact CB-CD1 4.06Å; V432-L437 HydrophobicContact CB-CD2 4.21Å; V432-L437 HydrophobicContact CB-CG 4.11Å; V432-L437 HydrophobicContact CG1-CD1 4.4Å; V432-L437 HydrophobicContact CG1-CD2 3.92Å; V432-L437 HydrophobicContact CG1-CG 3.91Å; P433-L437 PolarHBondContact O-N 3.3Å; L437-Y439 PolarHBondContact O-N 3.33Å; L437-W441 HydrophobicContact CB-CB 4.33Å; L437-W441 HydrophobicContact CD2-CB 4.24Å; L437-W441 WeakPolarHBondContact O-CB 3.44Å; L437-W441 PolarHBondContact O-N 2.68Å; L437-V443 HydrophobicContact CD2-CG2 4.14Å |
| 438 | S | 83 | Confident | 88.5 | Confident | 24 Ų | 24 | 31 Ų | 31 | 17% | 0.168 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -57.1 | -35.8 | -177.8 | 64.5 | 0 | 0 | 0 | 0 | 113.1 | T434 E435 Y436 | T434-S438 WeakPolarHBondContact O-CB 3.45Å; T434-S438 PolarHBondContact O-N 3.19Å; E435-S438 PolarHBondContact O-OG 3.48Å; Y436-S438 PolarHBondContact O-N 2.71Å |
| 439 | Y | 81.5 | Confident | 88.5 | Confident | 101 Ų | 101 | 27.7 Ų | 27.7 | 40% | 0.396 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -113.7 | -30.1 | 176.2 | -58.5 | -83.6 | 0 | 0 | 0 | 113.6 | L437 T460 E479 | L437-Y439 PolarHBondContact O-N 3.33Å; Y439-T460 PolarHBondContact O-OG1 2.95Å; Y439-E479 WeakPolarHBondContact CD2-OE1 3.34Å; Y439-E479 VanDerWaalsContact CE2-OE1 3.22Å; Y439-E479 WeakPolarHBondContact CE2-OE1 3.48Å |
| 440 | C | 88.7 | Confident | 88 | Confident | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.007 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -96.5 | 1.7 | -171.6 | -56.7 | 0 | 0 | 0 | 0 | 114.4 | Y436 G459 T460 R461 | Y436-C440 HydrophobicContact CD1-CB 4.09Å; Y436-C440 HydrophobicContact CD2-CB 4.23Å; Y436-C440 HydrophobicContact CE1-CB 3.67Å; Y436-C440 HydrophobicContact CE2-CB 3.79Å; Y436-C440 HydrophobicContact CG-CB 4.34Å; Y436-C440 VanDerWaalsContact CZ-CB 3.47Å; Y436-C440 VanDerWaalsContact O-CB 3.24Å; Y436-C440 WeakPolarHBondContact O-CB 3.42Å; Y436-C440 PolarHBondContact O-N 3.42Å; C440-G459 CarbonylContact O-C 3.53Å; C440-G459 WeakPolarHBondContact O-CA 3.46Å; C440-T460 WeakPolarHBondContact CA-OG1 3.48Å; C440-T460 PolarHBondContact O-N 3.02Å; C440-T460 PolarHBondContact O-OG1 3.35Å; C440-R461 WeakPolarHBondContact CB-O 3.38Å; C440-R461 PolarHBondContact SG-O 2.75Å |
| 441 | W | 87.6 | Confident | 87.5 | Confident | 4 Ų | 4 | 30.6 Ų | 30.6 | 2% | 0.015 | 16% | 0.155 | C | C | . | . | trans | -67.9 | 146.8 | 177.8 | 173.6 | 117.2 | 0 | 0 | 0 | 113 | F47 R124 R364 H404 L437 T460 | F47-W441 HydrophobicContact CB-CH2 3.28Å; F47-W441 HydrophobicContact CB-CZ2 3.49Å; F47-W441 VanDerWaalsContact CB-CZ2 3.49Å; F47-W441 HydrophobicContact CB-CZ3 3.91Å; F47-W441 HydrophobicContact CD1-CD2 4.02Å; F47-W441 AromaticContact CD1-CE2 3.37Å; F47-W441 HydrophobicContact CD1-CE3 4.49Å; F47-W441 HydrophobicContact CD1-CH2 4.01Å; F47-W441 AromaticContact CD1-CZ2 3.39Å; F47-W441 HydrophobicContact CD1-CZ2 3.39Å; F47-W441 HydrophobicContact CD1-CZ3 4.5Å; F47-W441 AromaticContact CD1-NE1 3.61Å; F47-W441 HydrophobicContact CD2-CH2 4.32Å; F47-W441 AromaticContact CD2-CZ2 3.7Å; F47-W441 HydrophobicContact CD2-CZ2 3.7Å; F47-W441 HydrophobicContact CE1-CD2 4.44Å; F47-W441 AromaticContact CE1-CE2 3.67Å; F47-W441 AromaticContact CE1-CZ2 3.97Å; F47-W441 HydrophobicContact CE1-CZ2 3.97Å; F47-W441 AromaticContact CE1-NE1 3.36Å; F47-W441 HydrophobicContact CE2-CZ2 4.22Å; F47-W441 AromaticContact CG-CE2 3.77Å; F47-W441 AromaticContact CG-CH2 3.64Å; F47-W441 HydrophobicContact CG-CH2 3.64Å; F47-W441 AromaticContact CG-CZ2 3.23Å; F47-W441 HydrophobicContact CG-CZ2 3.23Å; F47-W441 HydrophobicContact CG-CZ3 4.43Å; F47-W441 HydrophobicContact CZ-CZ2 4.35Å; F47-W441 AromaticContact CZ-NE1 3.84Å; R124-W441 VanDerWaalsContact CZ-CE3 3.42Å; R124-W441 VanDerWaalsContact NH2-CE3 3.27Å; R124-W441 PolarHBondContact NH2-O 2.91Å; R364-W441 HydrophobicContact CB-CZ3 4.31Å; H404-W441 HydrophobicContact CB-CZ2 4Å; H404-W441 AromaticContact CE1-NE1 3.91Å; H404-W441 AromaticContact CG-CE2 3.97Å; H404-W441 AromaticContact CG-NE1 3.41Å; H404-W441 AromaticContact ND1-CD1 3.85Å; H404-W441 AromaticContact ND1-NE1 3.04Å; H404-W441 PolarHBondContact ND1-NE1 2.82Å; L437-W441 HydrophobicContact CB-CB 4.33Å; L437-W441 HydrophobicContact CD2-CB 4.24Å; L437-W441 WeakPolarHBondContact O-CB 3.44Å; L437-W441 PolarHBondContact O-N 2.68Å; W441-T460 VanDerWaalsContact O-CG2 3.26Å; W441-T460 WeakPolarHBondContact O-CG2 3.41Å | ||
| 442 | P | 89.6 | Confident | 87.1 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | S | Bend | cis | -85.8 | 163.7 | 1.5 | 34.5 | -33.9 | 0 | 0 | 0 | 111.5 | R364 E365 H404 R444 G459 | R364-P442 HydrophobicContact CB-CG 4.46Å; R364-P442 HydrophobicContact CG-CG 4.25Å; E365-P442 HydrophobicContact CB-CG 4.3Å; E365-P442 HydrophobicContact CG-CG 3.61Å; H404-P442 HydrophobicContact CB-CB 3.83Å; P442-R444 WeakPolarHBondContact O-CG 3.49Å; P442-R444 PolarHBondContact O-N 2.98Å; P442-G459 WeakPolarHBondContact O-CA 3.47Å |
| 443 | V | 91.1 | Very high | 86.8 | Confident | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | trans | -54.2 | 112.8 | 159 | 171.3 | 0 | 0 | 0 | 0 | 108.9 | H367 H402 H404 V432 L437 V457 | H367-V443 PolarHBondContact NE2-O 2.88Å; H402-V443 WeakPolarHBondContact ND1-CG1 3.39Å; H404-V443 WeakPolarHBondContact O-CG2 3.34Å; H404-V443 PolarHBondContact O-N 3.46Å; H404-V443 VanDerWaalsContact O-N 3.07Å; V432-V443 HydrophobicContact CG2-CG2 4.1Å; L437-V443 HydrophobicContact CD2-CG2 4.14Å; V443-V457 HydrophobicContact CB-CG1 4.04Å; V443-V457 HydrophobicContact CG1-CG1 3.64Å; V443-V457 HydrophobicContact CG2-CG1 3.34Å | ||
| 444 | R | 89.2 | Confident | 86.7 | Confident | 60 Ų | 60 | 34.4 Ų | 34.4 | 23% | 0.226 | 17% | 0.17 | C | C | . | . | trans | -89.7 | -43.7 | 178.6 | -59.8 | -164.5 | -68.6 | 130.6 | 13.1 | 111.2 | E365 P442 A458 G459 V487 | E365-R444 HydrophobicContact CG-CB 4.31Å; E365-R444 HydrophobicContact CG-CG 3.79Å; E365-R444 WeakPolarHBondContact OE1-CD 3.47Å; E365-R444 WeakPolarHBondContact OE1-CG 3.37Å; P442-R444 WeakPolarHBondContact O-CG 3.49Å; P442-R444 PolarHBondContact O-N 2.98Å; R444-A458 PolarHBondContact N-O 2.84Å; R444-G459 PolarHBondContact NE-O 3.31Å; R444-G459 PolarHBondContact NH2-O 3.49Å; R444-V487 PolarHBondContact NH2-O 3.37Å | ||
| 445 | S | 88.1 | Confident | 86.9 | Confident | 20 Ų | 20 | 32.4 Ų | 32.4 | 14% | 0.14 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 145.8 | 174.8 | 63.2 | 0 | 0 | 0 | 0 | 111.6 | A458 | S445-A458 PolarHBondContact N-O 2.81Å; S445-A458 PolarHBondContact O-N 2.71Å |
| 446 | C | 90.1 | Very high | 87.2 | Confident | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.007 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 142.3 | 169.8 | -178.3 | 0 | 0 | 0 | 0 | 107.2 | C386 D387 H402 C456 | C386-C446 HydrophobicContact CB-CB 4.47Å; C386-C446 PolarHBondContact SG-O 2.84Å; C386-C446 VanDerWaalsContact SG-SG 3.63Å; D387-C446 WeakPolarHBondContact CB-O 3.27Å; D387-C446 PolarHBondContact N-O 3.49Å; H402-C446 HydrophobicContact CB-CB 4.03Å; H402-C446 VanDerWaalsContact CD2-CB 3.5Å; H402-C446 WeakPolarHBondContact CD2-CB 3.27Å; C446-C456 CarbonylContact C-O 3.5Å; C446-C456 WeakPolarHBondContact CA-O 3.45Å |
| 447 | H | 89.1 | Confident | 87.3 | Confident | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 134.3 | 176.4 | 176.2 | 64.9 | 0 | 0 | 0 | 109.7 | C386 D387 D389 I455 C456 L491 R492 F493 | C386-H447 VanDerWaalsContact SG-CA 3.52Å; D387-H447 WeakPolarHBondContact O-CA 3.09Å; D387-H447 PolarHBondContact O-ND1 2.99Å; D389-H447 IonicContact OD2-CE1 2.57Å; D389-H447 PolarHBondContact OD2-CE1 3.44Å; D389-H447 IonicContact OD2-NE2 3.16Å; H447-I455 CarbonylContact O-C 3.53Å; H447-I455 WeakPolarHBondContact O-CA 3.38Å; H447-C456 HydrophobicContact CB-CB 4.2Å; H447-C456 PolarHBondContact N-O 3.01Å; H447-C456 PolarHBondContact O-N 2.91Å; H447-L491 HydrophobicContact CB-CB 4.33Å; H447-L491 PolarHBondContact CD2-O 3.42Å; H447-L491 PolarHBondContact ND1-O 2.83Å; H447-L491 PolarHBondContact NE2-O 2.9Å; H447-R492 PolarHBondContact ND1-NH1 2.7Å; H447-F493 AromaticContact CD2-CD2 3.58Å; H447-F493 AromaticContact CD2-CE2 3.83Å; H447-F493 AromaticContact NE2-CD2 3.62Å |
| 448 | F | 87 | Confident | 87.5 | Confident | 10 Ų | 10 | 26.3 Ų | 26.3 | 4% | 0.044 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 123.8 | 178.8 | 171.6 | -124.2 | 0 | 0 | 0 | 110 | V400 P450 L454 I455 I468 | V400-F448 HydrophobicContact CG1-CB 4.46Å; V400-F448 HydrophobicContact CG2-CB 3.92Å; V400-F448 HydrophobicContact CG2-CD1 3.64Å; V400-F448 HydrophobicContact CG2-CE1 4.37Å; V400-F448 HydrophobicContact CG2-CG 3.86Å; F448-P450 HydrophobicContact CE1-CB 3.86Å; F448-P450 HydrophobicContact CZ-CB 4Å; F448-L454 WeakPolarHBondContact CD2-O 3.45Å; F448-I455 HydrophobicContact CD2-CG1 3.68Å; F448-I455 HydrophobicContact CE2-CG1 4.39Å; F448-I455 HydrophobicContact CG-CG1 4.47Å; F448-I468 HydrophobicContact CD2-CD1 4.33Å; F448-I468 HydrophobicContact CE2-CD1 3.58Å; F448-I468 HydrophobicContact CZ-CD1 4.33Å |
| 449 | D | 86 | Confident | 87.9 | Confident | 18 Ų | 18 | 25.2 Ų | 25.2 | 10% | 0.096 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 116.7 | 165.9 | 170.1 | 37.2 | 0 | 0 | 0 | 110.3 | V451 E452 K453 L454 F493 | D449-V451 VanDerWaalsContact C-N 3.29Å; D449-V451 PolarHBondContact O-N 3.33Å; D449-V451 WeakPolarHBondContact OD1-CB 3.44Å; D449-V451 PolarHBondContact OD1-N 3.09Å; D449-E452 WeakPolarHBondContact OD2-CB 3.35Å; D449-E452 VanDerWaalsContact OD2-CG 3.26Å; D449-E452 WeakPolarHBondContact OD2-CG 3.32Å; D449-E452 PolarHBondContact OD2-N 3.27Å; D449-K453 VanDerWaalsContact O-CA 3.3Å; D449-K453 WeakPolarHBondContact O-CA 3.43Å; D449-K453 PolarHBondContact O-N 3.47Å; D449-L454 PolarHBondContact N-O 2.84Å; D449-L454 PolarHBondContact O-N 3.05Å; D449-F493 HydrophobicContact CB-CB 4.12Å; D449-F493 HydrophobicContact CB-CD2 3.32Å; D449-F493 HydrophobicContact CB-CE2 3.78Å; D449-F493 HydrophobicContact CB-CG 3.89Å |
| 450 | P | 78.1 | Confident | 88.3 | Confident | 19 Ų | 19 | 21 Ų | 21 | 12% | 0.123 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -16.4 | 177.4 | 33.2 | -37.8 | 0 | 0 | 0 | 113.7 | V395 C396 F448 | V395-P450 HydrophobicContact CB-CB 4.24Å; V395-P450 HydrophobicContact CB-CG 3.86Å; V395-P450 HydrophobicContact CG1-CB 3.89Å; V395-P450 HydrophobicContact CG1-CG 3.85Å; V395-P450 WeakPolarHBondContact O-CB 3.41Å; C396-P450 HydrophobicContact CB-CB 4.24Å; C396-P450 HydrophobicContact CB-CG 4.24Å; F448-P450 HydrophobicContact CE1-CB 3.86Å; F448-P450 HydrophobicContact CZ-CB 4Å |
| 451 | V | 80 | Confident | 88.5 | Confident | 100 Ų | 100 | 25 Ų | 25 | 61% | 0.606 | 12% | 0.121 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -61.2 | -177.4 | -178.1 | 0 | 0 | 0 | 0 | 111.1 | V395 D449 K453 | V395-V451 HydrophobicContact CG1-CG2 4.3Å; D449-V451 VanDerWaalsContact C-N 3.29Å; D449-V451 PolarHBondContact O-N 3.33Å; D449-V451 WeakPolarHBondContact OD1-CB 3.44Å; D449-V451 PolarHBondContact OD1-N 3.09Å; V451-K453 PolarHBondContact O-N 2.95Å |
| 452 | E | 81.6 | Confident | 88.7 | Confident | 91 Ų | 91 | 24.9 Ų | 24.9 | 43% | 0.425 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -9.4 | 176.5 | -58.3 | -68 | 167.5 | 0 | 0 | 112.1 | D449 L454 | D449-E452 WeakPolarHBondContact OD2-CB 3.35Å; D449-E452 VanDerWaalsContact OD2-CG 3.26Å; D449-E452 WeakPolarHBondContact OD2-CG 3.32Å; D449-E452 PolarHBondContact OD2-N 3.27Å; E452-L454 HydrophobicContact CB-CD1 3.67Å; E452-L454 HydrophobicContact CB-CG 3.67Å; E452-L454 HydrophobicContact CG-CD1 4.46Å |
| 453 | K | 86.2 | Confident | 88.9 | Confident | 94 Ų | 94 | 24.9 Ų | 24.9 | 41% | 0.409 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 50.1 | -175.8 | -55.7 | -171.6 | 179 | -165.2 | 0 | 111.7 | D449 V451 I468 | D449-K453 VanDerWaalsContact O-CA 3.3Å; D449-K453 WeakPolarHBondContact O-CA 3.43Å; D449-K453 PolarHBondContact O-N 3.47Å; V451-K453 PolarHBondContact O-N 2.95Å; K453-I468 HydrophobicContact CB-CB 4.26Å; K453-I468 HydrophobicContact CB-CD1 4.41Å; K453-I468 WeakPolarHBondContact O-CB 3.29Å; K453-I468 WeakPolarHBondContact O-CG1 3.32Å; K453-I468 PolarHBondContact O-N 2.91Å |
| 454 | L | 89.9 | Confident | 89.1 | Confident | 8 Ų | 8 | 24.8 Ų | 24.8 | 4% | 0.042 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 139.4 | -177.7 | -58.3 | 179.5 | 0 | 0 | 0 | 110.9 | F448 D449 E452 Y465 Y466 F493 I517 | F448-L454 WeakPolarHBondContact CD2-O 3.45Å; D449-L454 PolarHBondContact N-O 2.84Å; D449-L454 PolarHBondContact O-N 3.05Å; E452-L454 HydrophobicContact CB-CD1 3.67Å; E452-L454 HydrophobicContact CB-CG 3.67Å; E452-L454 HydrophobicContact CG-CD1 4.46Å; L454-Y465 HydrophobicContact CD1-CD2 4.45Å; L454-Y465 HydrophobicContact CD1-CE2 4.47Å; L454-Y465 HydrophobicContact CD2-CD2 4.34Å; L454-Y466 WeakPolarHBondContact CA-O 3.48Å; L454-F493 HydrophobicContact CB-CE1 4.11Å; L454-F493 HydrophobicContact CB-CE2 4.06Å; L454-F493 HydrophobicContact CB-CZ 3.47Å; L454-F493 VanDerWaalsContact CB-CZ 3.47Å; L454-F493 HydrophobicContact CD1-CD1 4.31Å; L454-F493 HydrophobicContact CD1-CE1 3.5Å; L454-F493 HydrophobicContact CD1-CZ 3.78Å; L454-F493 HydrophobicContact CG-CE1 4.44Å; L454-F493 HydrophobicContact CG-CZ 4.27Å; L454-I517 HydrophobicContact CD1-CD1 3.92Å; L454-I517 HydrophobicContact CD1-CG1 4.5Å; L454-I517 HydrophobicContact CD1-CG2 3.75Å |
| 455 | I | 91.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 115.1 | 172.5 | -65.7 | 168.1 | 0 | 0 | 0 | 107.6 | V407 I430 H447 F448 V457 Y465 Y466 I468 | V407-I455 HydrophobicContact CB-CG2 4.44Å; V407-I455 HydrophobicContact CG1-CD1 4.31Å; V407-I455 HydrophobicContact CG1-CG2 4.07Å; V407-I455 HydrophobicContact CG2-CG2 4.08Å; I430-I455 HydrophobicContact CD1-CD1 3.53Å; H447-I455 CarbonylContact O-C 3.53Å; H447-I455 WeakPolarHBondContact O-CA 3.38Å; F448-I455 HydrophobicContact CD2-CG1 3.68Å; F448-I455 HydrophobicContact CE2-CG1 4.39Å; F448-I455 HydrophobicContact CG-CG1 4.47Å; I455-V457 HydrophobicContact CG2-CG2 4.25Å; I455-Y465 CarbonylContact O-C 3.55Å; I455-Y465 VanDerWaalsContact O-CA 3.24Å; I455-Y465 WeakPolarHBondContact O-CA 3.22Å; I455-Y466 HydrophobicContact CD1-CD1 4.47Å; I455-Y466 PolarHBondContact N-O 3.09Å; I455-Y466 PolarHBondContact O-N 3.16Å; I455-I468 HydrophobicContact CD1-CD1 4Å; I455-I468 HydrophobicContact CD1-CG1 4.13Å; I455-I468 HydrophobicContact CG1-CD1 4.19Å; I455-I468 HydrophobicContact CG1-CG1 4.42Å |
| 456 | C | 92.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 143.2 | 174.3 | -93.1 | 0 | 0 | 0 | 0 | 111.4 | C446 H447 Y465 L491 F493 L498 | C446-C456 CarbonylContact C-O 3.5Å; C446-C456 WeakPolarHBondContact CA-O 3.45Å; H447-C456 HydrophobicContact CB-CB 4.2Å; H447-C456 PolarHBondContact N-O 3.01Å; H447-C456 PolarHBondContact O-N 2.91Å; C456-Y465 VanDerWaalsContact SG-CB 3.54Å; C456-L491 HydrophobicContact CB-CB 4.16Å; C456-L491 HydrophobicContact CB-CD1 3.63Å; C456-F493 HydrophobicContact CB-CE2 4.11Å; C456-F493 HydrophobicContact CB-CZ 4.29Å; C456-F493 VanDerWaalsContact SG-CE2 3.56Å; C456-F493 WeakPolarHBondContact SG-CZ 3.48Å; C456-L498 WeakPolarHBondContact SG-CD1 3.18Å; C456-L498 WeakPolarHBondContact SG-CD2 3.29Å |
| 457 | V | 93.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 123.1 | -178.1 | 176 | 0 | 0 | 0 | 0 | 109.1 | V407 V432 V443 I455 F463 T464 W473 | V407-V457 HydrophobicContact CG2-CG2 3.97Å; V432-V457 HydrophobicContact CG1-CG1 4.46Å; V432-V457 HydrophobicContact CG2-CG1 4.05Å; V432-V457 HydrophobicContact CG2-CG2 4.26Å; V443-V457 HydrophobicContact CB-CG1 4.04Å; V443-V457 HydrophobicContact CG1-CG1 3.64Å; V443-V457 HydrophobicContact CG2-CG1 3.34Å; I455-V457 HydrophobicContact CG2-CG2 4.25Å; V457-F463 CarbonylContact O-C 3.48Å; V457-F463 VanDerWaalsContact O-CA 3.26Å; V457-F463 WeakPolarHBondContact O-CA 3.44Å; V457-F463 WeakPolarHBondContact O-CB 3.45Å; V457-T464 HydrophobicContact CB-CG2 4.41Å; V457-T464 PolarHBondContact N-O 3.3Å; V457-T464 PolarHBondContact O-N 3.35Å; V457-W473 HydrophobicContact CB-CH2 4.42Å; V457-W473 HydrophobicContact CB-CZ3 4.37Å; V457-W473 HydrophobicContact CG2-CH2 3.75Å; V457-W473 HydrophobicContact CG2-CZ3 4.09Å |
| 458 | A | 93.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 135.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | R444 S445 F463 V487 L491 | R444-A458 PolarHBondContact N-O 2.84Å; S445-A458 PolarHBondContact N-O 2.81Å; S445-A458 PolarHBondContact O-N 2.71Å; A458-F463 HydrophobicContact CB-CB 4.25Å; A458-V487 HydrophobicContact CB-CB 4.17Å; A458-V487 HydrophobicContact CB-CG1 4.15Å; A458-V487 HydrophobicContact CB-CG2 4.41Å; A458-L491 HydrophobicContact CB-CD1 3.99Å; A458-L491 HydrophobicContact CB-CG 4.36Å |
| 459 | G | 92.1 | Very high | 90 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -101.9 | -160.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y436 C440 P442 R444 R461 | Y436-G459 WeakPolarHBondContact OH-CA 3.49Å; Y436-G459 PolarHBondContact OH-N 3.41Å; C440-G459 CarbonylContact O-C 3.53Å; C440-G459 WeakPolarHBondContact O-CA 3.46Å; P442-G459 WeakPolarHBondContact O-CA 3.47Å; R444-G459 PolarHBondContact NE-O 3.31Å; R444-G459 PolarHBondContact NH2-O 3.49Å; G459-R461 PolarHBondContact O-N 2.92Å | ||
| 460 | T | 89.6 | Confident | 90.3 | Very high | 14 Ų | 14 | 30.9 Ų | 30.9 | 9% | 0.086 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -65.9 | -21.6 | 167.8 | 52.6 | 0 | 0 | 0 | 0 | 112.9 | Y439 C440 W441 I486 | Y439-T460 PolarHBondContact O-OG1 2.95Å; C440-T460 WeakPolarHBondContact CA-OG1 3.48Å; C440-T460 PolarHBondContact O-N 3.02Å; C440-T460 PolarHBondContact O-OG1 3.35Å; W441-T460 VanDerWaalsContact O-CG2 3.26Å; W441-T460 WeakPolarHBondContact O-CG2 3.41Å; T460-I486 WeakPolarHBondContact O-CD1 3.34Å; T460-I486 WeakPolarHBondContact O-CG1 3.42Å |
| 461 | R | 91.3 | Very high | 91 | Very high | 85 Ų | 85 | 37 Ų | 37 | 32% | 0.321 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -141.4 | 151.1 | 172.1 | -64.1 | -62.9 | -176 | -94.9 | 6.1 | 109.5 | Y436 C440 G459 R483 F485 F505 | Y436-R461 PolarHBondContact OH-O 2.91Å; C440-R461 WeakPolarHBondContact CB-O 3.38Å; C440-R461 PolarHBondContact SG-O 2.75Å; G459-R461 PolarHBondContact O-N 2.92Å; R461-R483 WeakPolarHBondContact CD-O 3.49Å; R461-F485 WeakPolarHBondContact CA-O 3.34Å; R461-F505 VanDerWaalsContact CZ-CE2 3.45Å |
| 462 | G | 92.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | 52.8 | -158.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y436 E482 F485 | Y436-G462 PolarHBondContact OH-O 3.33Å; G462-E482 WeakPolarHBondContact CA-O 3.26Å; G462-E482 PolarHBondContact N-O 3.09Å; G462-E482 VanDerWaalsContact N-O 3.09Å; G462-F485 PolarHBondContact N-O 3.44Å | ||
| 463 | F | 94.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 165.8 | 171.1 | 62.8 | -98.4 | 0 | 0 | 0 | 110.6 | Y436 V457 A458 F476 F485 V487 L491 L498 C500 Y515 L521 | Y436-F463 WeakPolarHBondContact OH-CA 3.29Å; V457-F463 CarbonylContact O-C 3.48Å; V457-F463 VanDerWaalsContact O-CA 3.26Å; V457-F463 WeakPolarHBondContact O-CA 3.44Å; V457-F463 WeakPolarHBondContact O-CB 3.45Å; A458-F463 HydrophobicContact CB-CB 4.25Å; F463-F476 HydrophobicContact CD1-CE2 4.43Å; F463-F476 HydrophobicContact CD2-CE2 4.27Å; F463-F476 HydrophobicContact CE1-CE2 4.19Å; F463-F476 AromaticContact CE1-CZ 3.97Å; F463-F476 HydrophobicContact CE1-CZ 3.97Å; F463-F476 AromaticContact CE2-CE2 3.98Å; F463-F476 HydrophobicContact CE2-CE2 3.98Å; F463-F476 HydrophobicContact CE2-CZ 4.25Å; F463-F476 HydrophobicContact CG-CE2 4.46Å; F463-F476 AromaticContact CZ-CE2 3.94Å; F463-F476 HydrophobicContact CZ-CE2 3.94Å; F463-F476 AromaticContact CZ-CZ 3.77Å; F463-F476 HydrophobicContact CZ-CZ 3.77Å; F463-F476 WeakPolarHBondContact O-CE2 3.13Å; F463-F485 AromaticContact CD1-CE2 3.95Å; F463-F485 HydrophobicContact CD1-CE2 3.95Å; F463-F485 HydrophobicContact CD1-CZ 4Å; F463-F485 HydrophobicContact CE1-CE2 4.05Å; F463-F485 AromaticContact CE1-CZ 3.9Å; F463-F485 HydrophobicContact CE1-CZ 3.9Å; F463-V487 HydrophobicContact CD1-CG2 4.01Å; F463-L491 HydrophobicContact CB-CD1 3.67Å; F463-L491 HydrophobicContact CB-CD2 4.31Å; F463-L491 HydrophobicContact CD1-CD2 3.93Å; F463-L491 HydrophobicContact CD2-CD1 4.48Å; F463-L491 HydrophobicContact CG-CD1 4.05Å; F463-L491 HydrophobicContact CG-CD2 4.1Å; F463-L498 HydrophobicContact CD2-CD2 3.8Å; F463-L498 HydrophobicContact CE2-CD2 3.28Å; F463-L498 HydrophobicContact CE2-CG 4.1Å; F463-L498 HydrophobicContact CZ-CD2 3.94Å; F463-L498 HydrophobicContact CZ-CG 4.29Å; F463-C500 HydrophobicContact CE1-CB 4.45Å; F463-Y515 AromaticContact CE1-CD2 3.93Å; F463-Y515 HydrophobicContact CE1-CD2 3.93Å; F463-Y515 AromaticContact CE1-CE2 3.59Å; F463-Y515 HydrophobicContact CE1-CE2 3.59Å; F463-Y515 AromaticContact CZ-CD2 3.53Å; F463-Y515 HydrophobicContact CZ-CD2 3.53Å; F463-Y515 AromaticContact CZ-CE2 3.62Å; F463-Y515 HydrophobicContact CZ-CE2 3.62Å; F463-Y515 HydrophobicContact CZ-CG 4.09Å; F463-L521 HydrophobicContact CE2-CD1 4.24Å; F463-L521 HydrophobicContact CE2-CD2 3.52Å; F463-L521 HydrophobicContact CZ-CD2 3.74Å |
| 464 | T | 94.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 160.1 | 170.2 | -178.4 | 0 | 0 | 0 | 0 | 109.8 | V432 Y436 V457 W473 R474 | V432-T464 HydrophobicContact CG1-CG2 4.05Å; Y436-T464 HydrophobicContact CD1-CG2 3.76Å; Y436-T464 HydrophobicContact CD2-CG2 3.82Å; Y436-T464 HydrophobicContact CE1-CG2 3.97Å; Y436-T464 HydrophobicContact CE2-CG2 4.08Å; Y436-T464 HydrophobicContact CG-CG2 3.69Å; V457-T464 HydrophobicContact CB-CG2 4.41Å; V457-T464 PolarHBondContact N-O 3.3Å; V457-T464 PolarHBondContact O-N 3.35Å; T464-W473 HydrophobicContact CG2-CE3 3.86Å; T464-W473 HydrophobicContact CG2-CZ3 3.78Å; T464-R474 PolarHBondContact OG1-O 3.45Å |
| 465 | Y | 94.5 | Very high | 92.7 | Very high | 4 Ų | 4 | 40.1 Ų | 40.1 | 2% | 0.016 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 145.9 | 175.7 | 71.2 | -96.9 | 0 | 0 | 0 | 114.3 | L454 I455 C456 W473 R474 L498 I517 L521 | L454-Y465 HydrophobicContact CD1-CD2 4.45Å; L454-Y465 HydrophobicContact CD1-CE2 4.47Å; L454-Y465 HydrophobicContact CD2-CD2 4.34Å; I455-Y465 CarbonylContact O-C 3.55Å; I455-Y465 VanDerWaalsContact O-CA 3.24Å; I455-Y465 WeakPolarHBondContact O-CA 3.22Å; C456-Y465 VanDerWaalsContact SG-CB 3.54Å; Y465-W473 CarbonylContact O-C 3.56Å; Y465-W473 WeakPolarHBondContact O-CA 3.39Å; Y465-R474 HydrophobicContact CD2-CB 4.49Å; Y465-R474 HydrophobicContact CE1-CB 4.24Å; Y465-R474 HydrophobicContact CE2-CB 4.12Å; Y465-R474 HydrophobicContact CE2-CG 4.26Å; Y465-R474 PolarHBondContact N-O 3.48Å; Y465-R474 PolarHBondContact O-N 2.86Å; Y465-R474 WeakPolarHBondContact OH-CD 3.17Å; Y465-R474 PolarHBondContact OH-NH1 2.89Å; Y465-R474 VanDerWaalsContact OH-NH1 3.13Å; Y465-L498 HydrophobicContact CD1-CD2 3.71Å; Y465-L498 HydrophobicContact CE1-CD2 4.24Å; Y465-L498 HydrophobicContact CG-CD2 4.46Å; Y465-I517 HydrophobicContact CE2-CG2 4.1Å; Y465-I517 PolarHBondContact OH-O 3.36Å; Y465-L521 HydrophobicContact CD1-CD1 3.78Å; Y465-L521 HydrophobicContact CD1-CG 4.5Å; Y465-L521 HydrophobicContact CE1-CD1 3.56Å; Y465-L521 HydrophobicContact CE1-CD2 4.27Å; Y465-L521 HydrophobicContact CE1-CG 3.87Å |
| 466 | Y | 95 | Very high | 92.8 | Very high | 16 Ų | 16 | 40.9 Ų | 40.9 | 6% | 0.063 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 129.4 | 178 | 179.4 | -103.1 | 0 | 0 | 0 | 110.3 | I430 L454 I455 I468 K471 W473 | I430-Y466 HydrophobicContact CD1-CD1 3.89Å; I430-Y466 HydrophobicContact CD1-CE1 3.64Å; I430-Y466 HydrophobicContact CG1-CE1 4.17Å; I430-Y466 HydrophobicContact CG2-CD1 3.96Å; I430-Y466 HydrophobicContact CG2-CD2 3.88Å; I430-Y466 HydrophobicContact CG2-CE1 3.97Å; I430-Y466 HydrophobicContact CG2-CE2 3.92Å; I430-Y466 HydrophobicContact CG2-CG 3.89Å; L454-Y466 WeakPolarHBondContact CA-O 3.48Å; I455-Y466 HydrophobicContact CD1-CD1 4.47Å; I455-Y466 PolarHBondContact N-O 3.09Å; I455-Y466 PolarHBondContact O-N 3.16Å; Y466-I468 HydrophobicContact CD1-CG1 4.1Å; Y466-I468 HydrophobicContact CE1-CB 4.47Å; Y466-I468 HydrophobicContact CE1-CG1 4.08Å; Y466-K471 VanDerWaalsContact CE2-C 3.48Å; Y466-K471 WeakPolarHBondContact OH-CA 3.49Å; Y466-W473 AromaticContact CD2-CD1 3.83Å; Y466-W473 HydrophobicContact CD2-CD2 4Å; Y466-W473 AromaticContact CD2-CE2 3.81Å; Y466-W473 AromaticContact CD2-CG 4Å; Y466-W473 HydrophobicContact CD2-CG 4Å; Y466-W473 HydrophobicContact CD2-CZ2 4.43Å; Y466-W473 AromaticContact CD2-NE1 3.72Å; Y466-W473 HydrophobicContact CG-CD2 4.33Å; Y466-W473 HydrophobicContact CG-CZ2 4.36Å |
| 467 | S | 92.9 | Very high | 92.6 | Very high | 16 Ų | 16 | 44 Ų | 44 | 11% | 0.112 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 114.4 | 171.3 | 164.5 | 0 | 0 | 0 | 0 | 109.9 | T469 S470 K471 K472 | S467-T469 VanDerWaalsContact C-N 3.28Å; S467-T469 PolarHBondContact O-N 2.88Å; S467-S470 WeakPolarHBondContact CB-OG 3.46Å; S467-S470 PolarHBondContact O-N 2.76Å; S467-S470 PolarHBondContact OG-N 2.96Å; S467-S470 PolarHBondContact OG-OG 3.33Å; S467-K471 VanDerWaalsContact O-CA 3.27Å; S467-K471 WeakPolarHBondContact O-CA 3.2Å; S467-K471 PolarHBondContact O-N 3.25Å; S467-K472 PolarHBondContact N-O 2.69Å; S467-K472 PolarHBondContact O-N 2.96Å |
| 468 | I | 89.4 | Confident | 92.5 | Very high | 34 Ų | 34 | 46 Ų | 46 | 17% | 0.174 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -40.2 | 178.3 | -60.4 | 172.2 | 0 | 0 | 0 | 110.2 | L409 F448 K453 I455 Y466 K471 | L409-I468 HydrophobicContact CD2-CD1 3.88Å; F448-I468 HydrophobicContact CD2-CD1 4.33Å; F448-I468 HydrophobicContact CE2-CD1 3.58Å; F448-I468 HydrophobicContact CZ-CD1 4.33Å; K453-I468 HydrophobicContact CB-CB 4.26Å; K453-I468 HydrophobicContact CB-CD1 4.41Å; K453-I468 WeakPolarHBondContact O-CB 3.29Å; K453-I468 WeakPolarHBondContact O-CG1 3.32Å; K453-I468 PolarHBondContact O-N 2.91Å; I455-I468 HydrophobicContact CD1-CD1 4Å; I455-I468 HydrophobicContact CD1-CG1 4.13Å; I455-I468 HydrophobicContact CG1-CD1 4.19Å; I455-I468 HydrophobicContact CG1-CG1 4.42Å; Y466-I468 HydrophobicContact CD1-CG1 4.1Å; Y466-I468 HydrophobicContact CE1-CB 4.47Å; Y466-I468 HydrophobicContact CE1-CG1 4.08Å; I468-K471 WeakPolarHBondContact O-CG 3.28Å; I468-K471 PolarHBondContact O-N 2.75Å |
| 469 | T | 90.2 | Very high | 92.2 | Very high | 110 Ų | 110 | 50.2 Ų | 50.2 | 68% | 0.675 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -44.5 | 179.4 | -50.9 | 0 | 0 | 0 | 0 | 112.6 | S467 | S467-T469 VanDerWaalsContact C-N 3.28Å; S467-T469 PolarHBondContact O-N 2.88Å |
| 470 | S | 92.5 | Very high | 92.1 | Very high | 57 Ų | 57 | 57 Ų | 57 | 40% | 0.399 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -9.8 | -178.7 | 65.8 | 0 | 0 | 0 | 0 | 114.1 | S467 K472 | S467-S470 WeakPolarHBondContact CB-OG 3.46Å; S467-S470 PolarHBondContact O-N 2.76Å; S467-S470 PolarHBondContact OG-N 2.96Å; S467-S470 PolarHBondContact OG-OG 3.33Å; S470-K472 VanDerWaalsContact C-N 3.28Å; S470-K472 PolarHBondContact O-N 3.11Å |
| 471 | K | 92.3 | Very high | 92.2 | Very high | 147 Ų | 147 | 58.1 Ų | 58.1 | 64% | 0.639 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 39.8 | -174 | -57.4 | -176.4 | -178.4 | 179.7 | 0 | 113.5 | Y466 S467 I468 | Y466-K471 VanDerWaalsContact CE2-C 3.48Å; Y466-K471 WeakPolarHBondContact OH-CA 3.49Å; S467-K471 VanDerWaalsContact O-CA 3.27Å; S467-K471 WeakPolarHBondContact O-CA 3.2Å; S467-K471 PolarHBondContact O-N 3.25Å; I468-K471 WeakPolarHBondContact O-CG 3.28Å; I468-K471 PolarHBondContact O-N 2.75Å |
| 472 | K | 93.5 | Very high | 92.2 | Very high | 144 Ų | 144 | 54.5 Ų | 54.5 | 63% | 0.626 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 141.2 | -177.6 | -70.1 | 176.8 | -178.1 | -177.8 | 0 | 111.7 | S467 S470 | S467-K472 PolarHBondContact N-O 2.69Å; S467-K472 PolarHBondContact O-N 2.96Å; S470-K472 VanDerWaalsContact C-N 3.28Å; S470-K472 PolarHBondContact O-N 3.11Å |
| 473 | W | 93.7 | Very high | 92.1 | Very high | 49 Ų | 49 | 58.3 Ų | 58.3 | 19% | 0.186 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 150.9 | 163.6 | -71.4 | 101.1 | 0 | 0 | 0 | 111.1 | I430 H431 V432 P433 V457 T464 Y465 Y466 L475 | I430-W473 HydrophobicContact CG2-CZ2 3.71Å; H431-W473 PolarHBondContact O-NE1 2.76Å; V432-W473 HydrophobicContact CB-CH2 4.42Å; V432-W473 HydrophobicContact CB-CZ2 4.24Å; V432-W473 HydrophobicContact CG2-CH2 3.79Å; V432-W473 HydrophobicContact CG2-CZ2 3.87Å; P433-W473 HydrophobicContact CG-CB 3.65Å; P433-W473 HydrophobicContact CG-CD2 3.88Å; P433-W473 HydrophobicContact CG-CG 3.44Å; P433-W473 VanDerWaalsContact CG-CG 3.44Å; V457-W473 HydrophobicContact CB-CH2 4.42Å; V457-W473 HydrophobicContact CB-CZ3 4.37Å; V457-W473 HydrophobicContact CG2-CH2 3.75Å; V457-W473 HydrophobicContact CG2-CZ3 4.09Å; T464-W473 HydrophobicContact CG2-CE3 3.86Å; T464-W473 HydrophobicContact CG2-CZ3 3.78Å; Y465-W473 CarbonylContact O-C 3.56Å; Y465-W473 WeakPolarHBondContact O-CA 3.39Å; Y466-W473 AromaticContact CD2-CD1 3.83Å; Y466-W473 HydrophobicContact CD2-CD2 4Å; Y466-W473 AromaticContact CD2-CE2 3.81Å; Y466-W473 AromaticContact CD2-CG 4Å; Y466-W473 HydrophobicContact CD2-CG 4Å; Y466-W473 HydrophobicContact CD2-CZ2 4.43Å; Y466-W473 AromaticContact CD2-NE1 3.72Å; Y466-W473 HydrophobicContact CG-CD2 4.33Å; Y466-W473 HydrophobicContact CG-CZ2 4.36Å; W473-L475 HydrophobicContact CB-CD1 4.39Å |
| 474 | R | 94.5 | Very high | 92 | Very high | 103 Ų | 103 | 59.9 Ų | 59.9 | 39% | 0.389 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 121.1 | 167.3 | -69.7 | -177 | 177.8 | -164.4 | 9.9 | 108.4 | T464 Y465 I517 E519 L521 | T464-R474 PolarHBondContact OG1-O 3.45Å; Y465-R474 HydrophobicContact CD2-CB 4.49Å; Y465-R474 HydrophobicContact CE1-CB 4.24Å; Y465-R474 HydrophobicContact CE2-CB 4.12Å; Y465-R474 HydrophobicContact CE2-CG 4.26Å; Y465-R474 PolarHBondContact N-O 3.48Å; Y465-R474 PolarHBondContact O-N 2.86Å; Y465-R474 WeakPolarHBondContact OH-CD 3.17Å; Y465-R474 PolarHBondContact OH-NH1 2.89Å; Y465-R474 VanDerWaalsContact OH-NH1 3.13Å; R474-I517 PolarHBondContact NH1-O 3.33Å; R474-E519 PolarHBondContact NH1-O 3.31Å; R474-L521 HydrophobicContact CB-CD1 4.46Å |
| 475 | L | 93.5 | Very high | 91.9 | Very high | 63 Ų | 63 | 59.9 Ų | 59.9 | 33% | 0.33 | 31% | 0.306 | S | S | . | . | trans | -104 | 171.3 | 175.5 | -57.7 | 89.8 | 0 | 0 | 0 | 109.2 | P433 E435 W473 | P433-L475 HydrophobicContact CB-CD2 4.26Å; P433-L475 HydrophobicContact CG-CD1 4.21Å; P433-L475 HydrophobicContact CG-CD2 4.49Å; E435-L475 HydrophobicContact CB-CD2 4.15Å; W473-L475 HydrophobicContact CB-CD1 4.39Å | ||
| 476 | F | 93.2 | Very high | 91.8 | Very high | 17 Ų | 17 | 61.8 Ų | 61.8 | 8% | 0.075 | 32% | 0.316 | C | S | . | . | trans | -62.8 | 147.7 | 170.1 | -80.6 | -103.2 | 0 | 0 | 0 | 111.8 | F463 S478 Q481 E482 F485 Y515 L521 | F463-F476 HydrophobicContact CD1-CE2 4.43Å; F463-F476 HydrophobicContact CD2-CE2 4.27Å; F463-F476 HydrophobicContact CE1-CE2 4.19Å; F463-F476 AromaticContact CE1-CZ 3.97Å; F463-F476 HydrophobicContact CE1-CZ 3.97Å; F463-F476 AromaticContact CE2-CE2 3.98Å; F463-F476 HydrophobicContact CE2-CE2 3.98Å; F463-F476 HydrophobicContact CE2-CZ 4.25Å; F463-F476 HydrophobicContact CG-CE2 4.46Å; F463-F476 AromaticContact CZ-CE2 3.94Å; F463-F476 HydrophobicContact CZ-CE2 3.94Å; F463-F476 AromaticContact CZ-CZ 3.77Å; F463-F476 HydrophobicContact CZ-CZ 3.77Å; F463-F476 WeakPolarHBondContact O-CE2 3.13Å; F476-S478 PolarHBondContact O-N 3.42Å; F476-Q481 HydrophobicContact CD1-CB 4.27Å; F476-E482 HydrophobicContact CB-CB 3.98Å; F476-E482 HydrophobicContact CB-CG 4.41Å; F476-E482 HydrophobicContact CD2-CB 4.04Å; F476-E482 HydrophobicContact CD2-CG 3.75Å; F476-E482 HydrophobicContact CE2-CG 4.41Å; F476-E482 HydrophobicContact CG-CB 4.02Å; F476-E482 HydrophobicContact CG-CG 4.25Å; F476-E482 PolarHBondContact N-OE2 3.16Å; F476-F485 HydrophobicContact CE1-CE1 4.23Å; F476-F485 HydrophobicContact CE1-CZ 4.39Å; F476-F485 HydrophobicContact CE2-CZ 4.23Å; F476-F485 AromaticContact CZ-CE1 3.97Å; F476-F485 HydrophobicContact CZ-CE1 3.97Å; F476-F485 AromaticContact CZ-CZ 3.7Å; F476-F485 HydrophobicContact CZ-CZ 3.7Å; F476-Y515 HydrophobicContact CE1-CD1 4.46Å; F476-Y515 AromaticContact CE1-CE1 3.64Å; F476-Y515 HydrophobicContact CE1-CE1 3.64Å; F476-Y515 AromaticContact CE1-CZ 3.88Å; F476-Y515 AromaticContact CZ-CE1 3.87Å; F476-Y515 HydrophobicContact CZ-CE1 3.87Å; F476-Y515 HydrophobicContact CZ-CE2 4.43Å; F476-Y515 AromaticContact CZ-CZ 3.78Å; F476-L521 CarbonylContact C-O 3.46Å; F476-L521 WeakPolarHBondContact CA-O 3.34Å; F476-L521 HydrophobicContact CD1-CB 4.26Å; F476-L521 HydrophobicContact CD2-CB 4.28Å; F476-L521 HydrophobicContact CD2-CD1 4.37Å; F476-L521 HydrophobicContact CE1-CD2 4.47Å; F476-L521 HydrophobicContact CE2-CD1 4.38Å; F476-L521 HydrophobicContact CE2-CD2 4.08Å; F476-L521 HydrophobicContact CG-CB 4.13Å; F476-L521 HydrophobicContact CZ-CD2 3.98Å | ||
| 477 | G | 87.6 | Confident | 91.6 | Very high | 64 Ų | 64 | 61.1 Ų | 61.1 | 66% | 0.66 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -67.7 | -21.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L521 | G477-L521 PolarHBondContact N-O 3.01Š|
| 478 | S | 90.7 | Very high | 91 | Very high | 44 Ų | 44 | 62.8 Ų | 62.8 | 31% | 0.308 | 33% | 0.333 | S | S | . | . | trans | -132.5 | 121.7 | 175.8 | 176.5 | 0 | 0 | 0 | 0 | 110.2 | F476 M480 Q481 E482 | F476-S478 PolarHBondContact O-N 3.42Å; S478-M480 PolarHBondContact O-N 3.44Å; S478-Q481 WeakPolarHBondContact O-CB 3.45Å; S478-Q481 PolarHBondContact O-N 3.44Å; S478-E482 PolarHBondContact O-N 3.03Å | ||
| 479 | E | 87.4 | Confident | 90.1 | Very high | 87 Ų | 87 | 61.4 Ų | 61.4 | 41% | 0.407 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.5 | -29.8 | 178.3 | -169.4 | -179.9 | -169.5 | 0 | 0 | 112.4 | Y439 Q481 E482 R483 | Y439-E479 WeakPolarHBondContact CD2-OE1 3.34Å; Y439-E479 VanDerWaalsContact CE2-OE1 3.22Å; Y439-E479 WeakPolarHBondContact CE2-OE1 3.48Å; E479-Q481 VanDerWaalsContact C-N 3.34Å; E479-Q481 PolarHBondContact O-N 3.22Å; E479-E482 WeakPolarHBondContact O-CB 3.11Å; E479-E482 PolarHBondContact O-N 2.94Å; E479-R483 WeakPolarHBondContact O-CG 3.05Å; E479-R483 PolarHBondContact O-N 2.74Å; E479-R483 VanDerWaalsContact O-N 3.09Å; E479-R483 IonicContact OE1-CZ 3.27Å; E479-R483 IonicContact OE1-NE 3.81Å; E479-R483 IonicContact OE1-NH2 3.47Å; E479-R483 PolarHBondContact OE1-NH2 3.16Å; E479-R483 IonicContact OE2-NH2 3.46Å; E479-R483 PolarHBondContact OE2-NH2 3.17Å |
| 480 | M | 90.7 | Very high | 89.4 | Confident | 144 Ų | 144 | 56.9 Ų | 56.9 | 71% | 0.709 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -62 | -41.7 | 174.7 | -70.2 | -69 | -71.5 | 0 | 0 | 111.6 | S478 E482 R483 Q484 | S478-M480 PolarHBondContact O-N 3.44Å; M480-E482 VanDerWaalsContact C-N 3.35Å; M480-R483 PolarHBondContact O-N 3.27Å; M480-Q484 PolarHBondContact O-N 2.63Å; M480-Q484 VanDerWaalsContact O-N 3.16Å |
| 481 | Q | 92.2 | Very high | 89.2 | Confident | 37 Ų | 37 | 54.2 Ų | 54.2 | 17% | 0.173 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.6 | -38.5 | 176.4 | -66.8 | -179 | -2 | 0 | 0 | 111.7 | F476 S478 E479 R483 Q484 F485 D522 N523 | F476-Q481 HydrophobicContact CD1-CB 4.27Å; S478-Q481 WeakPolarHBondContact O-CB 3.45Å; S478-Q481 PolarHBondContact O-N 3.44Å; E479-Q481 VanDerWaalsContact C-N 3.34Å; E479-Q481 PolarHBondContact O-N 3.22Å; Q481-R483 VanDerWaalsContact C-N 3.3Å; Q481-R483 PolarHBondContact O-N 2.98Å; Q481-Q484 WeakPolarHBondContact O-CB 3.37Å; Q481-Q484 PolarHBondContact O-N 2.99Å; Q481-F485 WeakPolarHBondContact O-CD1 3.49Å; Q481-F485 WeakPolarHBondContact O-CE1 3.42Å; Q481-D522 PolarHBondContact NE2-OD1 3.41Å; Q481-D522 PolarHBondContact OE1-OD1 3.47Å; Q481-N523 HydrophobicContact CG-CB 4.35Å |
| 482 | E | 91 | Very high | 89 | Confident | 8 Ų | 8 | 48 Ų | 48 | 4% | 0.037 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.4 | -36.7 | 177.8 | -163.1 | 175.7 | 90 | 0 | 0 | 112 | Y436 G462 F476 S478 E479 M480 | Y436-E482 VanDerWaalsContact CD2-CD 3.48Å; Y436-E482 HydrophobicContact CD2-CG 4.44Å; Y436-E482 WeakPolarHBondContact CD2-OE1 3.48Å; Y436-E482 HydrophobicContact CE2-CG 4.15Å; G462-E482 WeakPolarHBondContact CA-O 3.26Å; G462-E482 PolarHBondContact N-O 3.09Å; G462-E482 VanDerWaalsContact N-O 3.09Å; F476-E482 HydrophobicContact CB-CB 3.98Å; F476-E482 HydrophobicContact CB-CG 4.41Å; F476-E482 HydrophobicContact CD2-CB 4.04Å; F476-E482 HydrophobicContact CD2-CG 3.75Å; F476-E482 HydrophobicContact CE2-CG 4.41Å; F476-E482 HydrophobicContact CG-CB 4.02Å; F476-E482 HydrophobicContact CG-CG 4.25Å; F476-E482 PolarHBondContact N-OE2 3.16Å; S478-E482 PolarHBondContact O-N 3.03Å; E479-E482 WeakPolarHBondContact O-CB 3.11Å; E479-E482 PolarHBondContact O-N 2.94Å; M480-E482 VanDerWaalsContact C-N 3.35Å |
| 483 | R | 90 | Very high | 88.8 | Confident | 80 Ų | 80 | 41.9 Ų | 41.9 | 30% | 0.302 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -81.2 | -14.8 | 178.7 | -64.6 | -178.5 | -165.5 | 174.9 | 11.2 | 114.5 | R461 E479 M480 Q481 F485 | R461-R483 WeakPolarHBondContact CD-O 3.49Å; E479-R483 WeakPolarHBondContact O-CG 3.05Å; E479-R483 PolarHBondContact O-N 2.74Å; E479-R483 VanDerWaalsContact O-N 3.09Å; E479-R483 IonicContact OE1-CZ 3.27Å; E479-R483 IonicContact OE1-NE 3.81Å; E479-R483 IonicContact OE1-NH2 3.47Å; E479-R483 PolarHBondContact OE1-NH2 3.16Å; E479-R483 IonicContact OE2-NH2 3.46Å; E479-R483 PolarHBondContact OE2-NH2 3.17Å; M480-R483 PolarHBondContact O-N 3.27Å; Q481-R483 VanDerWaalsContact C-N 3.3Å; Q481-R483 PolarHBondContact O-N 2.98Å; R483-F485 VanDerWaalsContact C-N 3.29Å; R483-F485 PolarHBondContact O-N 3.03Å |
| 484 | Q | 92 | Very high | 88.6 | Confident | 34 Ų | 34 | 40.2 Ų | 40.2 | 16% | 0.159 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -18.4 | -172.7 | -173.7 | -179.9 | -14.4 | 0 | 0 | 114.2 | M480 Q481 D504 F505 E506 N523 | M480-Q484 PolarHBondContact O-N 2.63Å; M480-Q484 VanDerWaalsContact O-N 3.16Å; Q481-Q484 WeakPolarHBondContact O-CB 3.37Å; Q481-Q484 PolarHBondContact O-N 2.99Å; Q484-D504 WeakPolarHBondContact CG-OD2 3.44Å; Q484-D504 PolarHBondContact NE2-OD1 3.23Å; Q484-D504 VanDerWaalsContact NE2-OD1 3.16Å; Q484-D504 PolarHBondContact NE2-OD2 3.3Å; Q484-D504 VanDerWaalsContact NE2-OD2 3.17Å; Q484-F505 WeakPolarHBondContact O-CB 3.41Å; Q484-F505 WeakPolarHBondContact O-CD2 3.2Å; Q484-F505 PolarHBondContact O-N 3.34Å; Q484-E506 HydrophobicContact CG-CB 4.24Å; Q484-E506 PolarHBondContact NE2-OE2 3.31Å; Q484-N523 PolarHBondContact OE1-ND2 2.9Å |
| 485 | F | 93.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 155.7 | -175.7 | 66.8 | -82 | 0 | 0 | 0 | 112.9 | R461 G462 F463 F476 Q481 R483 V487 C502 F503 | R461-F485 WeakPolarHBondContact CA-O 3.34Å; G462-F485 PolarHBondContact N-O 3.44Å; F463-F485 AromaticContact CD1-CE2 3.95Å; F463-F485 HydrophobicContact CD1-CE2 3.95Å; F463-F485 HydrophobicContact CD1-CZ 4Å; F463-F485 HydrophobicContact CE1-CE2 4.05Å; F463-F485 AromaticContact CE1-CZ 3.9Å; F463-F485 HydrophobicContact CE1-CZ 3.9Å; F476-F485 HydrophobicContact CE1-CE1 4.23Å; F476-F485 HydrophobicContact CE1-CZ 4.39Å; F476-F485 HydrophobicContact CE2-CZ 4.23Å; F476-F485 AromaticContact CZ-CE1 3.97Å; F476-F485 HydrophobicContact CZ-CE1 3.97Å; F476-F485 AromaticContact CZ-CZ 3.7Å; F476-F485 HydrophobicContact CZ-CZ 3.7Å; Q481-F485 WeakPolarHBondContact O-CD1 3.49Å; Q481-F485 WeakPolarHBondContact O-CE1 3.42Å; R483-F485 VanDerWaalsContact C-N 3.29Å; R483-F485 PolarHBondContact O-N 3.03Å; F485-V487 HydrophobicContact CD2-CG2 4.15Å; F485-V487 HydrophobicContact CE2-CG2 3.78Å; F485-C502 HydrophobicContact CB-CB 4.32Å; F485-C502 HydrophobicContact CD2-CB 3.65Å; F485-C502 HydrophobicContact CE2-CB 4.46Å; F485-C502 HydrophobicContact CG-CB 4.41Å; F485-F503 VanDerWaalsContact CA-O 3.28Å; F485-F503 WeakPolarHBondContact CA-O 3.48Å; F485-F503 WeakPolarHBondContact CB-O 3.47Å |
| 486 | I | 92.6 | Very high | 87.9 | Confident | 44 Ų | 44 | 40.5 Ų | 40.5 | 23% | 0.226 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 128 | 169.2 | -174.2 | 169.1 | 0 | 0 | 0 | 109.9 | T460 G488 C502 F503 F505 | T460-I486 WeakPolarHBondContact O-CD1 3.34Å; T460-I486 WeakPolarHBondContact O-CG1 3.42Å; I486-G488 PolarHBondContact O-N 3Å; I486-C502 CarbonylContact O-C 3.59Å; I486-C502 WeakPolarHBondContact O-CA 3.3Å; I486-C502 WeakPolarHBondContact O-CB 3.5Å; I486-F503 HydrophobicContact CG2-CB 4Å; I486-F503 PolarHBondContact N-O 2.98Å; I486-F503 PolarHBondContact O-N 3.31Å; I486-F505 HydrophobicContact CB-CE2 4.01Å; I486-F505 HydrophobicContact CB-CZ 4.04Å; I486-F505 HydrophobicContact CG2-CE2 3.98Å; I486-F505 HydrophobicContact CG2-CZ 3.64Å |
| 487 | V | 90.6 | Very high | 87.8 | Confident | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.012 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 122.4 | 174.8 | 175.4 | 0 | 0 | 0 | 0 | 109.2 | R444 A458 F463 F485 S489 L491 C500 | R444-V487 PolarHBondContact NH2-O 3.37Å; A458-V487 HydrophobicContact CB-CB 4.17Å; A458-V487 HydrophobicContact CB-CG1 4.15Å; A458-V487 HydrophobicContact CB-CG2 4.41Å; F463-V487 HydrophobicContact CD1-CG2 4.01Å; F485-V487 HydrophobicContact CD2-CG2 4.15Å; F485-V487 HydrophobicContact CE2-CG2 3.78Å; V487-S489 WeakPolarHBondContact CG1-O 3.44Å; V487-L491 HydrophobicContact CG1-CD2 3.93Å; V487-L491 HydrophobicContact CG1-CG 4.42Å; V487-L491 HydrophobicContact CG2-CD2 4.36Å; V487-C500 HydrophobicContact CG1-CB 4.24Å; V487-C500 HydrophobicContact CG2-CB 4.27Å |
| 488 | G | 79.8 | Confident | 88.1 | Confident | 50 Ų | 50 | 37.1 Ų | 37.1 | 52% | 0.515 | 19% | 0.192 | S | C | . | . | trans | -82.2 | -57.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113 | I486 A501 | I486-G488 PolarHBondContact O-N 3Å; G488-A501 PolarHBondContact N-O 2.96Å | ||
| 489 | S | 70.8 | Confident | 88.2 | Confident | 6 Ų | 6 | 35 Ų | 35 | 4% | 0.042 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -98 | 172.2 | 179.9 | 65.2 | 0 | 0 | 0 | 0 | 112.1 | V487 L536 L538 | V487-S489 WeakPolarHBondContact CG1-O 3.44Å; S489-L536 WeakPolarHBondContact CB-O 3.5Å; S489-L538 VanDerWaalsContact OG-CB 3.32Å; S489-L538 WeakPolarHBondContact OG-CB 3.41Å |
| 490 | S | 76.2 | Confident | 88.4 | Confident | 14 Ų | 14 | 30.9 Ų | 30.9 | 10% | 0.098 | 16% | 0.158 | C | C | . | . | P | Polyproline II helix | trans | -64 | 147.3 | 169.6 | 29.5 | 0 | 0 | 0 | 0 | 112.8 | D387 R492 | D387-S490 WeakPolarHBondContact OD2-CB 3.32Å; D387-S490 PolarHBondContact OD2-OG 3.11Å; S490-R492 PolarHBondContact OG-NH1 2.97Å; S490-R492 PolarHBondContact OG-NH2 2.95Å |
| 491 | L | 88.3 | Confident | 88.6 | Confident | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | P | Polyproline II helix | trans | -65.8 | 152 | 178.9 | -62 | 169.2 | 0 | 0 | 0 | 110.9 | H447 C456 A458 F463 V487 L498 C500 | H447-L491 HydrophobicContact CB-CB 4.33Å; H447-L491 PolarHBondContact CD2-O 3.42Å; H447-L491 PolarHBondContact ND1-O 2.83Å; H447-L491 PolarHBondContact NE2-O 2.9Å; C456-L491 HydrophobicContact CB-CB 4.16Å; C456-L491 HydrophobicContact CB-CD1 3.63Å; A458-L491 HydrophobicContact CB-CD1 3.99Å; A458-L491 HydrophobicContact CB-CG 4.36Å; F463-L491 HydrophobicContact CB-CD1 3.67Å; F463-L491 HydrophobicContact CB-CD2 4.31Å; F463-L491 HydrophobicContact CD1-CD2 3.93Å; F463-L491 HydrophobicContact CD2-CD1 4.48Å; F463-L491 HydrophobicContact CG-CD1 4.05Å; F463-L491 HydrophobicContact CG-CD2 4.1Å; V487-L491 HydrophobicContact CG1-CD2 3.93Å; V487-L491 HydrophobicContact CG1-CG 4.42Å; V487-L491 HydrophobicContact CG2-CD2 4.36Å; L491-L498 HydrophobicContact CB-CD1 4.11Å; L491-C500 HydrophobicContact CD2-CB 3.39Å |
| 492 | R | 88.2 | Confident | 88.7 | Confident | 16 Ų | 16 | 22.6 Ų | 22.6 | 6% | 0.06 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 151.7 | 178.9 | -64.6 | -66.6 | 173.1 | -106.2 | -4.4 | 111.9 | D389 H447 S490 L498 L499 L538 I540 | D389-R492 WeakPolarHBondContact OD1-CD 3.22Å; D389-R492 IonicContact OD1-NE 3.94Å; D389-R492 PolarHBondContact OD1-NE 2.66Å; D389-R492 WeakPolarHBondContact OD2-CD 3.48Å; H447-R492 PolarHBondContact ND1-NH1 2.7Å; S490-R492 PolarHBondContact OG-NH1 2.97Å; S490-R492 PolarHBondContact OG-NH2 2.95Å; R492-L498 WeakPolarHBondContact O-CD1 3.45Å; R492-L499 HydrophobicContact CB-CB 4.41Å; R492-L499 PolarHBondContact N-O 3.29Å; R492-L499 PolarHBondContact O-N 3.27Å; R492-L538 HydrophobicContact CB-CD2 4.33Å; R492-L538 HydrophobicContact CG-CB 4.48Å; R492-L538 HydrophobicContact CG-CD2 3.81Å; R492-L538 HydrophobicContact CG-CG 4.05Å; R492-L538 PolarHBondContact NE-O 2.91Å; R492-L538 PolarHBondContact NH2-O 3.03Å; R492-I540 HydrophobicContact CB-CD1 3.76Å; R492-I540 HydrophobicContact CB-CG1 4.21Å; R492-I540 HydrophobicContact CG-CG1 4.46Å |
| 493 | F | 88.4 | Confident | 88.9 | Confident | 17 Ų | 17 | 25.2 Ų | 25.2 | 8% | 0.075 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 139.5 | 174.1 | -71.9 | -81.1 | 0 | 0 | 0 | 111.3 | H447 D449 L454 C456 F497 L498 I517 | H447-F493 AromaticContact CD2-CD2 3.58Å; H447-F493 AromaticContact CD2-CE2 3.83Å; H447-F493 AromaticContact NE2-CD2 3.62Å; D449-F493 HydrophobicContact CB-CB 4.12Å; D449-F493 HydrophobicContact CB-CD2 3.32Å; D449-F493 HydrophobicContact CB-CE2 3.78Å; D449-F493 HydrophobicContact CB-CG 3.89Å; L454-F493 HydrophobicContact CB-CE1 4.11Å; L454-F493 HydrophobicContact CB-CE2 4.06Å; L454-F493 HydrophobicContact CB-CZ 3.47Å; L454-F493 VanDerWaalsContact CB-CZ 3.47Å; L454-F493 HydrophobicContact CD1-CD1 4.31Å; L454-F493 HydrophobicContact CD1-CE1 3.5Å; L454-F493 HydrophobicContact CD1-CZ 3.78Å; L454-F493 HydrophobicContact CG-CE1 4.44Å; L454-F493 HydrophobicContact CG-CZ 4.27Å; C456-F493 HydrophobicContact CB-CE2 4.11Å; C456-F493 HydrophobicContact CB-CZ 4.29Å; C456-F493 VanDerWaalsContact SG-CE2 3.56Å; C456-F493 WeakPolarHBondContact SG-CZ 3.48Å; F493-F497 WeakPolarHBondContact CA-O 3.04Å; F493-L498 HydrophobicContact CD1-CB 4.26Å; F493-L498 HydrophobicContact CD1-CD1 4.16Å; F493-L498 HydrophobicContact CE1-CB 4.11Å; F493-L498 HydrophobicContact CE1-CD1 3.94Å; F493-L498 HydrophobicContact CE1-CD2 4.45Å; F493-L498 HydrophobicContact CE1-CG 4.39Å; F493-L498 HydrophobicContact CE2-CD1 4.43Å; F493-L498 HydrophobicContact CZ-CD1 4.14Å; F493-I517 HydrophobicContact CD1-CD1 3.52Å; F493-I517 HydrophobicContact CD1-CG1 4.43Å; F493-I517 HydrophobicContact CE1-CD1 3.66Å; F493-I517 HydrophobicContact CE1-CG1 4.26Å |
| 494 | W | 88.7 | Confident | 89 | Confident | 13 Ų | 13 | 21.4 Ų | 21.4 | 5% | 0.049 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 120.7 | 173.6 | 169.4 | 83.1 | 0 | 0 | 0 | 110.5 | G496 F497 I540 D542 D543 L559 A561 V571 | W494-G496 PolarHBondContact O-N 3.44Å; W494-F497 HydrophobicContact CE3-CB 4.48Å; W494-F497 HydrophobicContact CE3-CD2 4.17Å; W494-F497 HydrophobicContact CZ3-CD2 4.09Å; W494-F497 PolarHBondContact N-O 3.06Å; W494-F497 WeakPolarHBondContact O-CA 2.85Å; W494-F497 WeakPolarHBondContact O-CB 3.43Å; W494-F497 PolarHBondContact O-N 3.26Å; W494-I540 HydrophobicContact CB-CD1 3.71Å; W494-I540 HydrophobicContact CB-CG2 4.4Å; W494-I540 HydrophobicContact CG-CG2 4.46Å; W494-D542 PolarHBondContact NE1-O 3.49Å; W494-D543 PolarHBondContact NE1-OD1 2.86Å; W494-L559 HydrophobicContact CD2-CB 4.31Å; W494-L559 HydrophobicContact CD2-CD1 3.66Å; W494-L559 HydrophobicContact CE3-CD1 4.01Å; W494-L559 HydrophobicContact CG-CD1 3.93Å; W494-L559 HydrophobicContact CH2-CB 3.7Å; W494-L559 HydrophobicContact CZ2-CB 3.34Å; W494-L559 HydrophobicContact CZ2-CD1 4.26Å; W494-L559 HydrophobicContact CZ2-CG 4.46Å; W494-L559 HydrophobicContact CZ3-CB 4.33Å; W494-L559 HydrophobicContact CZ3-CD1 4.43Å; W494-A561 HydrophobicContact CH2-CB 3.57Å; W494-A561 HydrophobicContact CZ2-CB 4.41Å; W494-A561 HydrophobicContact CZ3-CB 4.02Å; W494-V571 HydrophobicContact CH2-CG1 4.3Å; W494-V571 HydrophobicContact CZ3-CG1 3.84Å; W494-V571 HydrophobicContact CZ3-CG2 4.09Å |
| 495 | R | 86.8 | Confident | 89 | Confident | 147 Ų | 147 | 24 Ų | 24 | 56% | 0.555 | 13% | 0.126 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 45 | 50.1 | 173.4 | -67.9 | -169.5 | 166.6 | 153.3 | 10.5 | 115.1 | F497 D543 | R495-F497 VanDerWaalsContact C-N 3.27Å; R495-F497 WeakPolarHBondContact O-CD2 3.29Å; R495-F497 PolarHBondContact O-N 3.35Å; R495-D543 IonicContact CZ-OD1 3.23Å; R495-D543 IonicContact CZ-OD2 3.8Å; R495-D543 IonicContact NE-OD1 3.86Å; R495-D543 PolarHBondContact NE-OD1 2.78Å; R495-D543 IonicContact NH1-OD1 3.53Å; R495-D543 PolarHBondContact NH1-OD1 3.05Å; R495-D543 IonicContact NH1-OD2 2.7Å; R495-D543 PolarHBondContact NH1-OD2 3.33Å; R495-D543 VanDerWaalsContact NH2-CG 3.28Å; R495-D543 IonicContact NH2-OD1 2.9Å; R495-D543 PolarHBondContact NH2-OD1 2.79Å; R495-D543 VanDerWaalsContact NH2-OD1 3.16Å; R495-D543 IonicContact NH2-OD2 2.65Å; R495-D543 PolarHBondContact NH2-OD2 3.15Å |
| 496 | G | 87.9 | Confident | 88.8 | Confident | 25 Ų | 25 | 30.8 Ų | 30.8 | 26% | 0.258 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77 | 8.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | W494 I517 | W494-G496 PolarHBondContact O-N 3.44Å; G496-I517 VanDerWaalsContact C-CD1 3.45Å; G496-I517 WeakPolarHBondContact O-CB 3.34Å; G496-I517 WeakPolarHBondContact O-CD1 3.12Å; G496-I517 VanDerWaalsContact O-CG1 3.23Å; G496-I517 WeakPolarHBondContact O-CG1 3.39Å; G496-I517 PolarHBondContact O-N 2.96Å |
| 497 | F | 91.5 | Very high | 88.6 | Confident | 9 Ų | 9 | 35.3 Ų | 35.3 | 4% | 0.039 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 145.6 | 169.2 | -64.4 | -93.7 | 0 | 0 | 0 | 111.3 | F493 W494 R495 F514 Y515 P516 A561 P569 V571 | F493-F497 WeakPolarHBondContact CA-O 3.04Å; W494-F497 HydrophobicContact CE3-CB 4.48Å; W494-F497 HydrophobicContact CE3-CD2 4.17Å; W494-F497 HydrophobicContact CZ3-CD2 4.09Å; W494-F497 PolarHBondContact N-O 3.06Å; W494-F497 WeakPolarHBondContact O-CA 2.85Å; W494-F497 WeakPolarHBondContact O-CB 3.43Å; W494-F497 PolarHBondContact O-N 3.26Å; R495-F497 VanDerWaalsContact C-N 3.27Å; R495-F497 WeakPolarHBondContact O-CD2 3.29Å; R495-F497 PolarHBondContact O-N 3.35Å; F497-F514 HydrophobicContact CD1-CB 4.19Å; F497-Y515 CarbonylContact C-O 3.58Å; F497-Y515 WeakPolarHBondContact CA-O 3.28Å; F497-P516 HydrophobicContact CD1-CB 4.01Å; F497-P516 HydrophobicContact CE1-CB 3.78Å; F497-P516 HydrophobicContact CE1-CG 4.3Å; F497-A561 HydrophobicContact CE2-CB 4.13Å; F497-P569 HydrophobicContact CE1-CG 4.39Å; F497-P569 HydrophobicContact CZ-CB 3.94Å; F497-P569 HydrophobicContact CZ-CG 4.01Å; F497-V571 HydrophobicContact CD1-CG2 3.78Å; F497-V571 HydrophobicContact CD2-CG2 3.96Å; F497-V571 HydrophobicContact CE1-CG2 3.41Å; F497-V571 VanDerWaalsContact CE1-CG2 3.41Å; F497-V571 HydrophobicContact CE2-CG2 3.61Å; F497-V571 HydrophobicContact CG-CG2 4.03Å; F497-V571 HydrophobicContact CZ-CG2 3.31Å |
| 498 | L | 92.3 | Very high | 88.7 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 116.7 | 168.1 | 173.9 | 53.1 | 0 | 0 | 0 | 108.6 | C456 F463 Y465 L491 R492 F493 Y515 I517 | C456-L498 WeakPolarHBondContact SG-CD1 3.18Å; C456-L498 WeakPolarHBondContact SG-CD2 3.29Å; F463-L498 HydrophobicContact CD2-CD2 3.8Å; F463-L498 HydrophobicContact CE2-CD2 3.28Å; F463-L498 HydrophobicContact CE2-CG 4.1Å; F463-L498 HydrophobicContact CZ-CD2 3.94Å; F463-L498 HydrophobicContact CZ-CG 4.29Å; Y465-L498 HydrophobicContact CD1-CD2 3.71Å; Y465-L498 HydrophobicContact CE1-CD2 4.24Å; Y465-L498 HydrophobicContact CG-CD2 4.46Å; L491-L498 HydrophobicContact CB-CD1 4.11Å; R492-L498 WeakPolarHBondContact O-CD1 3.45Å; F493-L498 HydrophobicContact CD1-CB 4.26Å; F493-L498 HydrophobicContact CD1-CD1 4.16Å; F493-L498 HydrophobicContact CE1-CB 4.11Å; F493-L498 HydrophobicContact CE1-CD1 3.94Å; F493-L498 HydrophobicContact CE1-CD2 4.45Å; F493-L498 HydrophobicContact CE1-CG 4.39Å; F493-L498 HydrophobicContact CE2-CD1 4.43Å; F493-L498 HydrophobicContact CZ-CD1 4.14Å; L498-Y515 PolarHBondContact N-O 2.72Å; L498-Y515 PolarHBondContact O-N 3.47Å; L498-I517 HydrophobicContact CB-CG1 4.31Å |
| 499 | L | 92.8 | Very high | 89.4 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 136.2 | 179.4 | 178.4 | 63.3 | 0 | 0 | 0 | 111 | R492 L512 R513 F514 L538 I540 L545 | R492-L499 HydrophobicContact CB-CB 4.41Å; R492-L499 PolarHBondContact N-O 3.29Å; R492-L499 PolarHBondContact O-N 3.27Å; L499-L512 HydrophobicContact CD1-CB 4.17Å; L499-L512 HydrophobicContact CD1-CD2 4.15Å; L499-R513 VanDerWaalsContact CA-O 3.31Å; L499-R513 WeakPolarHBondContact CA-O 3.33Å; L499-R513 VanDerWaalsContact CD1-O 3.3Å; L499-R513 WeakPolarHBondContact CD1-O 3.43Å; L499-F514 HydrophobicContact CB-CD1 4.37Å; L499-F514 HydrophobicContact CD1-CD1 3.76Å; L499-F514 HydrophobicContact CD1-CD2 3.75Å; L499-F514 HydrophobicContact CD1-CE1 3.61Å; L499-F514 HydrophobicContact CD1-CE2 3.59Å; L499-F514 HydrophobicContact CD1-CG 3.83Å; L499-F514 HydrophobicContact CD1-CZ 3.52Å; L499-F514 HydrophobicContact CD2-CE1 4.13Å; L499-F514 HydrophobicContact CD2-CZ 4.31Å; L499-F514 HydrophobicContact CG-CD1 4.5Å; L499-F514 HydrophobicContact CG-CE1 4.27Å; L499-F514 HydrophobicContact CG-CZ 4.49Å; L499-L538 HydrophobicContact CD2-CD1 4.23Å; L499-L538 HydrophobicContact CD2-CD2 3.98Å; L499-L538 HydrophobicContact CD2-CG 4.33Å; L499-L538 HydrophobicContact CG-CD2 4.02Å; L499-I540 HydrophobicContact CD2-CD1 3.86Å; L499-I540 HydrophobicContact CD2-CG1 4.5Å; L499-L545 HydrophobicContact CD2-CD1 3.65Å; L499-L545 HydrophobicContact CD2-CD2 3.78Å; L499-L545 HydrophobicContact CD2-CG 4.36Å |
| 500 | C | 93.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 145.7 | 162.5 | 69.7 | 0 | 0 | 0 | 0 | 111.2 | F463 V487 L491 L512 R513 | F463-C500 HydrophobicContact CE1-CB 4.45Å; V487-C500 HydrophobicContact CG1-CB 4.24Å; V487-C500 HydrophobicContact CG2-CB 4.27Å; L491-C500 HydrophobicContact CD2-CB 3.39Å; C500-L512 WeakPolarHBondContact O-CA 3.39Å; C500-R513 PolarHBondContact N-O 3.17Å; C500-R513 PolarHBondContact O-N 2.91Å |
| 501 | A | 93.8 | Very high | 91.3 | Very high | 3 Ų | 3 | 43 Ų | 43 | 3% | 0.025 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 133.6 | 156.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | G488 E511 L512 I535 | G488-A501 PolarHBondContact N-O 2.96Å; A501-E511 WeakPolarHBondContact CA-O 3.46Å; A501-L512 HydrophobicContact CB-CD2 3.86Å; A501-I535 HydrophobicContact CB-CB 3.68Å; A501-I535 HydrophobicContact CB-CD1 3.78Å; A501-I535 HydrophobicContact CB-CG1 4.29Å; A501-I535 HydrophobicContact CB-CG2 3.88Å |
| 502 | C | 94.5 | Very high | 91.6 | Very high | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.02 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 156.7 | -176.2 | 54.3 | 0 | 0 | 0 | 0 | 112.6 | F485 I486 E511 | F485-C502 HydrophobicContact CB-CB 4.32Å; F485-C502 HydrophobicContact CD2-CB 3.65Å; F485-C502 HydrophobicContact CE2-CB 4.46Å; F485-C502 HydrophobicContact CG-CB 4.41Å; I486-C502 CarbonylContact O-C 3.59Å; I486-C502 WeakPolarHBondContact O-CA 3.3Å; I486-C502 WeakPolarHBondContact O-CB 3.5Å; C502-E511 PolarHBondContact N-O 3.33Å; C502-E511 PolarHBondContact O-N 3.42Å |
| 503 | F | 94.5 | Very high | 91.9 | Very high | 64 Ų | 64 | 42.2 Ų | 42.2 | 28% | 0.281 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 126 | 164.5 | -179.7 | -93.5 | 0 | 0 | 0 | 108.5 | F485 I486 F505 E508 S509 | F485-F503 VanDerWaalsContact CA-O 3.28Å; F485-F503 WeakPolarHBondContact CA-O 3.48Å; F485-F503 WeakPolarHBondContact CB-O 3.47Å; I486-F503 HydrophobicContact CG2-CB 4Å; I486-F503 PolarHBondContact N-O 2.98Å; I486-F503 PolarHBondContact O-N 3.31Å; F503-F505 AromaticContact CD1-CD1 3.93Å; F503-F505 HydrophobicContact CD1-CD1 3.93Å; F503-F505 AromaticContact CD1-CE1 3.84Å; F503-F505 HydrophobicContact CD1-CE1 3.84Å; F503-F505 HydrophobicContact CD1-CZ 4.35Å; F503-F505 AromaticContact CE1-CD1 3.72Å; F503-F505 HydrophobicContact CE1-CD1 3.72Å; F503-F505 AromaticContact CE1-CE1 3.94Å; F503-F505 HydrophobicContact CE1-CE1 3.94Å; F503-F505 HydrophobicContact CE1-CG 4.49Å; F503-E508 HydrophobicContact CZ-CB 4.34Å; F503-S509 WeakPolarHBondContact CA-O 3.25Å |
| 504 | D | 93.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 132.3 | 174.4 | -166.3 | -76.1 | 0 | 0 | 0 | 110.8 | Q484 E506 E507 E508 S509 R513 | Q484-D504 WeakPolarHBondContact CG-OD2 3.44Å; Q484-D504 PolarHBondContact NE2-OD1 3.23Å; Q484-D504 VanDerWaalsContact NE2-OD1 3.16Å; Q484-D504 PolarHBondContact NE2-OD2 3.3Å; Q484-D504 VanDerWaalsContact NE2-OD2 3.17Å; D504-E506 WeakPolarHBondContact OD1-CA 3.45Å; D504-E506 WeakPolarHBondContact OD1-CB 3.42Å; D504-E506 PolarHBondContact OD1-N 3.13Å; D504-E507 HydrophobicContact CB-CB 4.48Å; D504-E507 PolarHBondContact OD1-N 2.97Å; D504-E508 VanDerWaalsContact O-CA 3.3Å; D504-E508 WeakPolarHBondContact O-CA 3.38Å; D504-E508 PolarHBondContact O-N 2.82Å; D504-E508 VanDerWaalsContact O-N 3.12Å; D504-S509 PolarHBondContact N-O 3.36Å; D504-S509 PolarHBondContact O-N 2.89Å; D504-R513 IonicContact OD2-CZ 2.68Å; D504-R513 IonicContact OD2-NH1 3.03Å; D504-R513 IonicContact OD2-NH2 2.68Å; D504-R513 PolarHBondContact OD2-NH2 2.85Å |
| 505 | F | 91.7 | Very high | 92.4 | Very high | 87 Ų | 87 | 41 Ų | 41 | 38% | 0.382 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -13.5 | -177.1 | -65.2 | -70.2 | 0 | 0 | 0 | 114.3 | R461 Q484 I486 F503 | R461-F505 VanDerWaalsContact CZ-CE2 3.45Å; Q484-F505 WeakPolarHBondContact O-CB 3.41Å; Q484-F505 WeakPolarHBondContact O-CD2 3.2Å; Q484-F505 PolarHBondContact O-N 3.34Å; I486-F505 HydrophobicContact CB-CE2 4.01Å; I486-F505 HydrophobicContact CB-CZ 4.04Å; I486-F505 HydrophobicContact CG2-CE2 3.98Å; I486-F505 HydrophobicContact CG2-CZ 3.64Å; F503-F505 AromaticContact CD1-CD1 3.93Å; F503-F505 HydrophobicContact CD1-CD1 3.93Å; F503-F505 AromaticContact CD1-CE1 3.84Å; F503-F505 HydrophobicContact CD1-CE1 3.84Å; F503-F505 HydrophobicContact CD1-CZ 4.35Å; F503-F505 AromaticContact CE1-CD1 3.72Å; F503-F505 HydrophobicContact CE1-CD1 3.72Å; F503-F505 AromaticContact CE1-CE1 3.94Å; F503-F505 HydrophobicContact CE1-CE1 3.94Å; F503-F505 HydrophobicContact CE1-CG 4.49Å |
| 506 | E | 89.6 | Confident | 92.6 | Very high | 143 Ų | 143 | 34.5 Ų | 34.5 | 67% | 0.668 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -42.3 | 176.4 | -172.8 | 174.4 | -156.9 | 0 | 0 | 111.1 | Q484 D504 | Q484-E506 HydrophobicContact CG-CB 4.24Å; Q484-E506 PolarHBondContact NE2-OE2 3.31Å; D504-E506 WeakPolarHBondContact OD1-CA 3.45Å; D504-E506 WeakPolarHBondContact OD1-CB 3.42Å; D504-E506 PolarHBondContact OD1-N 3.13Å |
| 507 | E | 89 | Confident | 92.8 | Very high | 140 Ų | 140 | 34.3 Ų | 34.3 | 65% | 0.654 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -2.7 | 178.6 | -61.1 | -73.3 | 174.6 | 0 | 0 | 113.3 | D504 S509 | D504-E507 HydrophobicContact CB-CB 4.48Å; D504-E507 PolarHBondContact OD1-N 2.97Å; E507-S509 PolarHBondContact O-N 2.93Å; E507-S509 VanDerWaalsContact O-N 3.09Å |
| 508 | E | 92.4 | Very high | 92.6 | Very high | 161 Ų | 161 | 38.1 Ų | 38.1 | 75% | 0.752 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 45.5 | 38.2 | -175.8 | -62 | -166.8 | 151.4 | 0 | 0 | 114.2 | F503 D504 | F503-E508 HydrophobicContact CZ-CB 4.34Å; D504-E508 VanDerWaalsContact O-CA 3.3Å; D504-E508 WeakPolarHBondContact O-CA 3.38Å; D504-E508 PolarHBondContact O-N 2.82Å; D504-E508 VanDerWaalsContact O-N 3.12Å |
| 509 | S | 93.2 | Very high | 92.3 | Very high | 35 Ų | 35 | 42.3 Ų | 42.3 | 25% | 0.245 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 146.6 | -170.4 | 71.6 | 0 | 0 | 0 | 0 | 113.6 | F503 D504 E507 | F503-S509 WeakPolarHBondContact CA-O 3.25Å; D504-S509 PolarHBondContact N-O 3.36Å; D504-S509 PolarHBondContact O-N 2.89Å; E507-S509 PolarHBondContact O-N 2.93Å; E507-S509 VanDerWaalsContact O-N 3.09Å |
| 510 | D | 93.5 | Very high | 92.1 | Very high | 27 Ų | 27 | 52.1 Ų | 52.1 | 14% | 0.144 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 131.8 | 169 | -67.1 | -73.1 | 0 | 0 | 0 | 110.4 | V531 P534 | D510-V531 HydrophobicContact CB-CG2 3.69Å; D510-V531 WeakPolarHBondContact O-CG2 3.45Å; D510-V531 PolarHBondContact O-N 3.24Å; D510-P534 WeakPolarHBondContact OD1-CA 3.41Å; D510-P534 WeakPolarHBondContact OD2-CD 3.49Å; D510-P534 VanDerWaalsContact OD2-CG 3.31Å; D510-P534 WeakPolarHBondContact OD2-CG 3.44Å |
| 511 | E | 94 | Very high | 92.1 | Very high | 10 Ų | 10 | 52.5 Ų | 52.5 | 5% | 0.047 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 160.3 | -179.8 | 59.7 | 170.1 | 167.7 | 0 | 0 | 114.2 | A501 C502 R513 R528 V529 | A501-E511 WeakPolarHBondContact CA-O 3.46Å; C502-E511 PolarHBondContact N-O 3.33Å; C502-E511 PolarHBondContact O-N 3.42Å; E511-R513 HydrophobicContact CG-CG 4.23Å; E511-R513 IonicContact OE1-CZ 3.6Å; E511-R513 IonicContact OE1-NE 2.74Å; E511-R513 PolarHBondContact OE1-NE 3.02Å; E511-R513 IonicContact OE1-NH2 2.71Å; E511-R513 PolarHBondContact OE1-NH2 2.93Å; E511-R528 IonicContact OE1-NE 2.92Å; E511-R528 VanDerWaalsContact OE2-CB 3.28Å; E511-R528 WeakPolarHBondContact OE2-CB 3.38Å; E511-R528 WeakPolarHBondContact OE2-CD 3.24Å; E511-R528 WeakPolarHBondContact OE2-CG 3.34Å; E511-R528 IonicContact OE2-NE 3.46Å; E511-V529 CarbonylContact C-O 3.46Å; E511-V529 WeakPolarHBondContact CA-O 3.4Å |
| 512 | L | 94.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 123.5 | 166.5 | -69.1 | 165.4 | 0 | 0 | 0 | 109.3 | L499 C500 A501 F514 R528 V529 V531 I535 L538 L545 T547 F557 | L499-L512 HydrophobicContact CD1-CB 4.17Å; L499-L512 HydrophobicContact CD1-CD2 4.15Å; C500-L512 WeakPolarHBondContact O-CA 3.39Å; A501-L512 HydrophobicContact CB-CD2 3.86Å; L512-F514 HydrophobicContact CB-CE2 4.1Å; L512-R528 CarbonylContact O-C 3.57Å; L512-R528 WeakPolarHBondContact O-CA 3.37Å; L512-V529 HydrophobicContact CB-CB 4.25Å; L512-V529 PolarHBondContact N-O 3.33Å; L512-V529 PolarHBondContact O-N 3.31Å; L512-V531 HydrophobicContact CD1-CG1 3.99Å; L512-V531 HydrophobicContact CG-CG1 4.08Å; L512-I535 HydrophobicContact CD1-CD1 4.43Å; L512-I535 HydrophobicContact CD2-CD1 3.71Å; L512-I535 HydrophobicContact CG-CD1 3.94Å; L512-L538 HydrophobicContact CD2-CD1 3.75Å; L512-L545 HydrophobicContact CD1-CD2 3.93Å; L512-T547 HydrophobicContact CD1-CG2 4.11Å; L512-T547 HydrophobicContact CD2-CG2 4.23Å; L512-F557 HydrophobicContact CD1-CE2 4.27Å; L512-F557 HydrophobicContact CD1-CZ 4.28Å |
| 513 | R | 93.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 130 | 178.8 | -74.6 | -168.1 | 177.5 | -175.3 | -1 | 111.6 | L499 C500 D504 E511 Y515 N523 C526 F527 R528 | L499-R513 VanDerWaalsContact CA-O 3.31Å; L499-R513 WeakPolarHBondContact CA-O 3.33Å; L499-R513 VanDerWaalsContact CD1-O 3.3Å; L499-R513 WeakPolarHBondContact CD1-O 3.43Å; C500-R513 PolarHBondContact N-O 3.17Å; C500-R513 PolarHBondContact O-N 2.91Å; D504-R513 IonicContact OD2-CZ 2.68Å; D504-R513 IonicContact OD2-NH1 3.03Å; D504-R513 IonicContact OD2-NH2 2.68Å; D504-R513 PolarHBondContact OD2-NH2 2.85Å; E511-R513 HydrophobicContact CG-CG 4.23Å; E511-R513 IonicContact OE1-CZ 3.6Å; E511-R513 IonicContact OE1-NE 2.74Å; E511-R513 PolarHBondContact OE1-NE 3.02Å; E511-R513 IonicContact OE1-NH2 2.71Å; E511-R513 PolarHBondContact OE1-NH2 2.93Å; R513-Y515 HydrophobicContact CB-CD2 4.27Å; R513-Y515 HydrophobicContact CB-CE2 3.64Å; R513-Y515 VanDerWaalsContact CD-OH 3.27Å; R513-Y515 WeakPolarHBondContact CD-OH 3.45Å; R513-Y515 HydrophobicContact CG-CE2 4.46Å; R513-Y515 PolarHBondContact NH1-OH 2.92Å; R513-N523 PolarHBondContact NH1-OD1 2.88Å; R513-C526 WeakPolarHBondContact CB-SG 3.42Å; R513-F527 WeakPolarHBondContact CA-O 3.4Å; R513-R528 HydrophobicContact CG-CG 4.37Å |
| 514 | F | 94.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 113 | 177.7 | -59.3 | -108.4 | 0 | 0 | 0 | 109.6 | F497 L499 L512 C526 F527 V529 L545 L559 V571 A573 | F497-F514 HydrophobicContact CD1-CB 4.19Å; L499-F514 HydrophobicContact CB-CD1 4.37Å; L499-F514 HydrophobicContact CD1-CD1 3.76Å; L499-F514 HydrophobicContact CD1-CD2 3.75Å; L499-F514 HydrophobicContact CD1-CE1 3.61Å; L499-F514 HydrophobicContact CD1-CE2 3.59Å; L499-F514 HydrophobicContact CD1-CG 3.83Å; L499-F514 HydrophobicContact CD1-CZ 3.52Å; L499-F514 HydrophobicContact CD2-CE1 4.13Å; L499-F514 HydrophobicContact CD2-CZ 4.31Å; L499-F514 HydrophobicContact CG-CD1 4.5Å; L499-F514 HydrophobicContact CG-CE1 4.27Å; L499-F514 HydrophobicContact CG-CZ 4.49Å; L512-F514 HydrophobicContact CB-CE2 4.1Å; F514-C526 WeakPolarHBondContact O-CA 3.41Å; F514-F527 HydrophobicContact CB-CB 4.27Å; F514-F527 AromaticContact CD2-CD1 3.77Å; F514-F527 HydrophobicContact CD2-CD1 3.77Å; F514-F527 HydrophobicContact CD2-CE1 4.49Å; F514-F527 HydrophobicContact CE2-CD1 4.25Å; F514-F527 HydrophobicContact CG-CD1 4.36Å; F514-F527 PolarHBondContact N-O 2.77Å; F514-F527 PolarHBondContact O-N 3.03Å; F514-V529 HydrophobicContact CE2-CG2 4.17Å; F514-L545 HydrophobicContact CZ-CD2 4.27Å; F514-L559 HydrophobicContact CE1-CD1 4.09Å; F514-L559 HydrophobicContact CE1-CD2 4.01Å; F514-L559 HydrophobicContact CZ-CD2 3.88Å; F514-V571 HydrophobicContact CB-CG2 4.36Å; F514-V571 HydrophobicContact CD1-CG1 3.91Å; F514-V571 HydrophobicContact CD2-CG1 4.48Å; F514-V571 HydrophobicContact CE1-CG1 4.04Å; F514-V571 HydrophobicContact CG-CG1 4.15Å; F514-V571 HydrophobicContact CZ-CG1 4.39Å; F514-A573 HydrophobicContact CZ-CB 4.47Å |
| 515 | Y | 93.7 | Very high | 91.2 | Very high | 4 Ų | 4 | 57.2 Ų | 57.2 | 2% | 0.016 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 122.3 | 179.5 | -64.8 | -92.7 | 0 | 0 | 0 | 111.1 | F463 F476 F497 L498 R513 I517 L521 N523 C526 | F463-Y515 AromaticContact CE1-CD2 3.93Å; F463-Y515 HydrophobicContact CE1-CD2 3.93Å; F463-Y515 AromaticContact CE1-CE2 3.59Å; F463-Y515 HydrophobicContact CE1-CE2 3.59Å; F463-Y515 AromaticContact CZ-CD2 3.53Å; F463-Y515 HydrophobicContact CZ-CD2 3.53Å; F463-Y515 AromaticContact CZ-CE2 3.62Å; F463-Y515 HydrophobicContact CZ-CE2 3.62Å; F463-Y515 HydrophobicContact CZ-CG 4.09Å; F476-Y515 HydrophobicContact CE1-CD1 4.46Å; F476-Y515 AromaticContact CE1-CE1 3.64Å; F476-Y515 HydrophobicContact CE1-CE1 3.64Å; F476-Y515 AromaticContact CE1-CZ 3.88Å; F476-Y515 AromaticContact CZ-CE1 3.87Å; F476-Y515 HydrophobicContact CZ-CE1 3.87Å; F476-Y515 HydrophobicContact CZ-CE2 4.43Å; F476-Y515 AromaticContact CZ-CZ 3.78Å; F497-Y515 CarbonylContact C-O 3.58Å; F497-Y515 WeakPolarHBondContact CA-O 3.28Å; L498-Y515 PolarHBondContact N-O 2.72Å; L498-Y515 PolarHBondContact O-N 3.47Å; R513-Y515 HydrophobicContact CB-CD2 4.27Å; R513-Y515 HydrophobicContact CB-CE2 3.64Å; R513-Y515 VanDerWaalsContact CD-OH 3.27Å; R513-Y515 WeakPolarHBondContact CD-OH 3.45Å; R513-Y515 HydrophobicContact CG-CE2 4.46Å; R513-Y515 PolarHBondContact NH1-OH 2.92Å; Y515-I517 PolarHBondContact O-N 2.79Å; Y515-L521 HydrophobicContact CD1-CD2 4.04Å; Y515-L521 HydrophobicContact CG-CD2 4.07Å; Y515-N523 PolarHBondContact OH-OD1 2.71Å; Y515-C526 HydrophobicContact CD1-CB 3.87Å; Y515-C526 HydrophobicContact CE1-CB 3.66Å |
| 516 | P | 92.1 | Very high | 91.1 | Very high | 12 Ų | 12 | 53.9 Ų | 53.9 | 8% | 0.078 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 122.3 | 177.2 | 24 | -29.8 | 0 | 0 | 0 | 111.5 | F497 A518 E519 N525 P569 | F497-P516 HydrophobicContact CD1-CB 4.01Å; F497-P516 HydrophobicContact CE1-CB 3.78Å; F497-P516 HydrophobicContact CE1-CG 4.3Å; P516-A518 VanDerWaalsContact C-N 3.26Å; P516-A518 PolarHBondContact O-N 3.45Å; P516-E519 HydrophobicContact CB-CB 4.49Å; P516-E519 HydrophobicContact CB-CG 4.35Å; P516-E519 HydrophobicContact CG-CB 4.09Å; P516-E519 HydrophobicContact CG-CG 4.09Å; P516-E519 PolarHBondContact O-N 3.09Å; P516-N525 WeakPolarHBondContact CD-O 3.49Å; P516-N525 HydrophobicContact CG-CB 4.07Å; P516-P569 HydrophobicContact CB-CG 4.2Å |
| 517 | I | 90.4 | Very high | 91.2 | Very high | 20 Ų | 20 | 50.6 Ų | 50.6 | 10% | 0.103 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -27 | -177.6 | -56.9 | 163.6 | 0 | 0 | 0 | 111.5 | L454 Y465 R474 F493 G496 L498 Y515 E519 | L454-I517 HydrophobicContact CD1-CD1 3.92Å; L454-I517 HydrophobicContact CD1-CG1 4.5Å; L454-I517 HydrophobicContact CD1-CG2 3.75Å; Y465-I517 HydrophobicContact CE2-CG2 4.1Å; Y465-I517 PolarHBondContact OH-O 3.36Å; R474-I517 PolarHBondContact NH1-O 3.33Å; F493-I517 HydrophobicContact CD1-CD1 3.52Å; F493-I517 HydrophobicContact CD1-CG1 4.43Å; F493-I517 HydrophobicContact CE1-CD1 3.66Å; F493-I517 HydrophobicContact CE1-CG1 4.26Å; G496-I517 VanDerWaalsContact C-CD1 3.45Å; G496-I517 WeakPolarHBondContact O-CB 3.34Å; G496-I517 WeakPolarHBondContact O-CD1 3.12Å; G496-I517 VanDerWaalsContact O-CG1 3.23Å; G496-I517 WeakPolarHBondContact O-CG1 3.39Å; G496-I517 PolarHBondContact O-N 2.96Å; L498-I517 HydrophobicContact CB-CG1 4.31Å; Y515-I517 PolarHBondContact O-N 2.79Å; I517-E519 PolarHBondContact O-N 2.83Å |
| 518 | A | 87.1 | Confident | 91.4 | Very high | 90 Ų | 90 | 49.2 Ų | 49.2 | 74% | 0.744 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -30.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | P516 | P516-A518 VanDerWaalsContact C-N 3.26Å; P516-A518 PolarHBondContact O-N 3.45Å |
| 519 | E | 87.8 | Confident | 91.4 | Very high | 88 Ų | 88 | 42.9 Ų | 42.9 | 41% | 0.411 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -95.3 | -177.6 | -174.7 | -64.5 | -60.7 | 158.5 | 0 | 0 | 112.8 | R474 P516 I517 | R474-E519 PolarHBondContact NH1-O 3.31Å; P516-E519 HydrophobicContact CB-CB 4.49Å; P516-E519 HydrophobicContact CB-CG 4.35Å; P516-E519 HydrophobicContact CG-CB 4.09Å; P516-E519 HydrophobicContact CG-CG 4.09Å; P516-E519 PolarHBondContact O-N 3.09Å; I517-E519 PolarHBondContact O-N 2.83Å |
| 520 | R | 88.8 | Confident | 91.4 | Very high | 207 Ų | 207 | 45.7 Ų | 45.7 | 78% | 0.781 | 24% | 0.243 | S | C | * | . | trans | -74.3 | 140.9 | 168.2 | -63.5 | -176.9 | -179 | -174.8 | 0.4 | 110.2 | D522 N525 | R520-D522 PolarHBondContact O-N 2.85Å; R520-N525 PolarHBondContact O-ND2 2.84Å | ||
| 521 | L | 91.4 | Very high | 91.3 | Very high | 9 Ų | 9 | 45.8 Ų | 45.8 | 5% | 0.047 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -64.7 | 105 | 167.7 | -85.2 | 167.3 | 0 | 0 | 0 | 109.2 | F463 Y465 R474 F476 G477 Y515 | F463-L521 HydrophobicContact CE2-CD1 4.24Å; F463-L521 HydrophobicContact CE2-CD2 3.52Å; F463-L521 HydrophobicContact CZ-CD2 3.74Å; Y465-L521 HydrophobicContact CD1-CD1 3.78Å; Y465-L521 HydrophobicContact CD1-CG 4.5Å; Y465-L521 HydrophobicContact CE1-CD1 3.56Å; Y465-L521 HydrophobicContact CE1-CD2 4.27Å; Y465-L521 HydrophobicContact CE1-CG 3.87Å; R474-L521 HydrophobicContact CB-CD1 4.46Å; F476-L521 CarbonylContact C-O 3.46Å; F476-L521 WeakPolarHBondContact CA-O 3.34Å; F476-L521 HydrophobicContact CD1-CB 4.26Å; F476-L521 HydrophobicContact CD2-CB 4.28Å; F476-L521 HydrophobicContact CD2-CD1 4.37Å; F476-L521 HydrophobicContact CE1-CD2 4.47Å; F476-L521 HydrophobicContact CE2-CD1 4.38Å; F476-L521 HydrophobicContact CE2-CD2 4.08Å; F476-L521 HydrophobicContact CG-CB 4.13Å; F476-L521 HydrophobicContact CZ-CD2 3.98Å; G477-L521 PolarHBondContact N-O 3.01Å; Y515-L521 HydrophobicContact CD1-CD2 4.04Å; Y515-L521 HydrophobicContact CG-CD2 4.07Å |
| 522 | D | 90.4 | Very high | 91.2 | Very high | 39 Ų | 39 | 51 Ų | 51 | 21% | 0.209 | 27% | 0.269 | C | S | . | . | trans | -156.9 | 142 | 179.4 | -165.4 | -61.2 | 0 | 0 | 0 | 108 | Q481 R520 S524 N525 | Q481-D522 PolarHBondContact NE2-OD1 3.41Å; Q481-D522 PolarHBondContact OE1-OD1 3.47Å; R520-D522 PolarHBondContact O-N 2.85Å; D522-S524 PolarHBondContact O-N 3.47Å; D522-S524 VanDerWaalsContact O-N 3.16Å; D522-S524 WeakPolarHBondContact OD1-CB 3.27Å; D522-S524 PolarHBondContact OD1-N 2.86Å; D522-S524 PolarHBondContact OD1-OG 3.05Å; D522-N525 PolarHBondContact O-N 3.11Å | ||
| 523 | N | 90 | Very high | 91.1 | Very high | 14 Ų | 14 | 51.7 Ų | 51.7 | 8% | 0.075 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -58.8 | -23.8 | 176 | -71.4 | -6.9 | 0 | 0 | 0 | 112.5 | Q481 Q484 R513 Y515 N525 C526 | Q481-N523 HydrophobicContact CG-CB 4.35Å; Q484-N523 PolarHBondContact OE1-ND2 2.9Å; R513-N523 PolarHBondContact NH1-OD1 2.88Å; Y515-N523 PolarHBondContact OH-OD1 2.71Å; N523-N525 VanDerWaalsContact C-N 3.29Å; N523-N525 PolarHBondContact O-N 3.3Å; N523-C526 WeakPolarHBondContact O-CB 3.47Å; N523-C526 PolarHBondContact O-N 3.37Å |
| 524 | S | 89 | Confident | 91.1 | Very high | 81 Ų | 81 | 54.5 Ų | 54.5 | 57% | 0.566 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -67.3 | -23 | 174.8 | 57.3 | 0 | 0 | 0 | 0 | 114.8 | D522 | D522-S524 PolarHBondContact O-N 3.47Å; D522-S524 VanDerWaalsContact O-N 3.16Å; D522-S524 WeakPolarHBondContact OD1-CB 3.27Å; D522-S524 PolarHBondContact OD1-N 2.86Å; D522-S524 PolarHBondContact OD1-OG 3.05Å |
| 525 | N | 87.8 | Confident | 91 | Very high | 35 Ų | 35 | 55 Ų | 55 | 19% | 0.187 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -99 | -1.4 | 176.8 | -64.4 | -39.8 | 0 | 0 | 0 | 112.5 | P516 R520 D522 N523 Q568 | P516-N525 WeakPolarHBondContact CD-O 3.49Å; P516-N525 HydrophobicContact CG-CB 4.07Å; R520-N525 PolarHBondContact O-ND2 2.84Å; D522-N525 PolarHBondContact O-N 3.11Å; N523-N525 VanDerWaalsContact C-N 3.29Å; N523-N525 PolarHBondContact O-N 3.3Å; N525-Q568 PolarHBondContact OD1-NE2 2.66Å |
| 526 | C | 90.5 | Very high | 90.9 | Very high | 17 Ų | 17 | 56.6 Ų | 56.6 | 12% | 0.115 | 30% | 0.303 | C | S | . | . | trans | -84 | 130.1 | -174.3 | -173.6 | 0 | 0 | 0 | 0 | 111.7 | R513 F514 Y515 N523 | R513-C526 WeakPolarHBondContact CB-SG 3.42Å; F514-C526 WeakPolarHBondContact O-CA 3.41Å; Y515-C526 HydrophobicContact CD1-CB 3.87Å; Y515-C526 HydrophobicContact CE1-CB 3.66Å; N523-C526 WeakPolarHBondContact O-CB 3.47Å; N523-C526 PolarHBondContact O-N 3.37Å | ||
| 527 | F | 91.7 | Very high | 90.9 | Very high | 73 Ų | 73 | 57.7 Ų | 57.7 | 32% | 0.32 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 137.6 | 163 | 178.3 | -101.5 | 0 | 0 | 0 | 109.9 | R513 F514 V529 V571 | R513-F527 WeakPolarHBondContact CA-O 3.4Å; F514-F527 HydrophobicContact CB-CB 4.27Å; F514-F527 AromaticContact CD2-CD1 3.77Å; F514-F527 HydrophobicContact CD2-CD1 3.77Å; F514-F527 HydrophobicContact CD2-CE1 4.49Å; F514-F527 HydrophobicContact CE2-CD1 4.25Å; F514-F527 HydrophobicContact CG-CD1 4.36Å; F514-F527 PolarHBondContact N-O 2.77Å; F514-F527 PolarHBondContact O-N 3.03Å; F527-V529 HydrophobicContact CD1-CG2 4.1Å; F527-V529 HydrophobicContact CE1-CG2 3.34Å; F527-V529 HydrophobicContact CZ-CG2 3.95Å; F527-V571 HydrophobicContact CB-CB 4.27Å; F527-V571 HydrophobicContact CD1-CB 3.65Å; F527-V571 HydrophobicContact CD1-CG1 3.9Å; F527-V571 HydrophobicContact CE1-CB 4.16Å; F527-V571 HydrophobicContact CE1-CG1 4.15Å; F527-V571 WeakPolarHBondContact CE1-O 3.38Å; F527-V571 VanDerWaalsContact CE2-O 3.25Å; F527-V571 WeakPolarHBondContact CE2-O 3.34Å; F527-V571 HydrophobicContact CG-CB 3.98Å; F527-V571 WeakPolarHBondContact CZ-O 3.27Å |
| 528 | R | 92.2 | Very high | 90.9 | Very high | 111 Ų | 111 | 56.8 Ų | 56.8 | 42% | 0.419 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 141.5 | -172 | -69.1 | -178.2 | 174.2 | 116 | -13.3 | 111.6 | E511 L512 R513 | E511-R528 IonicContact OE1-NE 2.92Å; E511-R528 VanDerWaalsContact OE2-CB 3.28Å; E511-R528 WeakPolarHBondContact OE2-CB 3.38Å; E511-R528 WeakPolarHBondContact OE2-CD 3.24Å; E511-R528 WeakPolarHBondContact OE2-CG 3.34Å; E511-R528 IonicContact OE2-NE 3.46Å; L512-R528 CarbonylContact O-C 3.57Å; L512-R528 WeakPolarHBondContact O-CA 3.37Å; R513-R528 HydrophobicContact CG-CG 4.37Å |
| 529 | V | 93.2 | Very high | 91 | Very high | 28 Ų | 28 | 53 Ų | 53 | 17% | 0.17 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 109.6 | 172.4 | -175 | 0 | 0 | 0 | 0 | 108.9 | E511 L512 F514 F527 A573 | E511-V529 CarbonylContact C-O 3.46Å; E511-V529 WeakPolarHBondContact CA-O 3.4Å; L512-V529 HydrophobicContact CB-CB 4.25Å; L512-V529 PolarHBondContact N-O 3.33Å; L512-V529 PolarHBondContact O-N 3.31Å; F514-V529 HydrophobicContact CE2-CG2 4.17Å; F527-V529 HydrophobicContact CD1-CG2 4.1Å; F527-V529 HydrophobicContact CE1-CG2 3.34Å; F527-V529 HydrophobicContact CZ-CG2 3.95Å; V529-A573 HydrophobicContact CG2-CB 4.21Å |
| 530 | S | 92.4 | Very high | 91 | Very high | 95 Ų | 95 | 49.8 Ų | 49.8 | 66% | 0.664 | 26% | 0.257 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 144 | 174.8 | 175.5 | 0 | 0 | 0 | 0 | 111.4 | ||
| 531 | V | 92.4 | Very high | 90.8 | Very high | 28 Ų | 28 | 40.6 Ų | 40.6 | 17% | 0.17 | 22% | 0.222 | C | C | . | . | trans | -128.2 | 157.7 | 177.6 | -62.8 | 0 | 0 | 0 | 0 | 111.5 | D510 L512 A533 I535 | D510-V531 HydrophobicContact CB-CG2 3.69Å; D510-V531 WeakPolarHBondContact O-CG2 3.45Å; D510-V531 PolarHBondContact O-N 3.24Å; L512-V531 HydrophobicContact CD1-CG1 3.99Å; L512-V531 HydrophobicContact CG-CG1 4.08Å; V531-A533 VanDerWaalsContact C-N 3.35Å; V531-A533 PolarHBondContact O-N 3.47Å; V531-I535 HydrophobicContact CB-CD1 4.39Å; V531-I535 HydrophobicContact CG1-CD1 4.12Å; V531-I535 HydrophobicContact CG2-CD1 3.88Å; V531-I535 HydrophobicContact CG2-CG1 4.21Å | ||
| 532 | E | 90.6 | Very high | 90.4 | Very high | 121 Ų | 121 | 44.4 Ų | 44.4 | 57% | 0.565 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -74.7 | -19.6 | -170.2 | -70.2 | 164.5 | -141.6 | 0 | 0 | 114.7 | K553 K575 | E532-K553 IonicContact OE2-NZ 2.68Å; E532-K553 PolarHBondContact OE2-NZ 3.39Å; E532-K575 IonicContact OE1-NZ 3.13Å; E532-K575 PolarHBondContact OE1-NZ 2.92Å |
| 533 | A | 92.8 | Very high | 90.4 | Very high | 14 Ų | 14 | 44.3 Ų | 44.3 | 12% | 0.116 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -160.5 | 159.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | V531 I535 D549 A551 | V531-A533 VanDerWaalsContact C-N 3.35Å; V531-A533 PolarHBondContact O-N 3.47Å; A533-I535 PolarHBondContact O-N 3.33Å; A533-D549 HydrophobicContact CB-CB 4.11Å; A533-A551 HydrophobicContact CB-CB 4.37Å |
| 534 | P | 94 | Very high | 90.5 | Very high | 58 Ų | 58 | 43.7 Ų | 43.7 | 38% | 0.377 | 24% | 0.239 | S | C | . | . | trans | -58.4 | 128.1 | 178.2 | -23.7 | 30.7 | 0 | 0 | 0 | 112.6 | D510 D549 M550 | D510-P534 WeakPolarHBondContact OD1-CA 3.41Å; D510-P534 WeakPolarHBondContact OD2-CD 3.49Å; D510-P534 VanDerWaalsContact OD2-CG 3.31Å; D510-P534 WeakPolarHBondContact OD2-CG 3.44Å; P534-D549 CarbonylContact O-C 3.56Å; P534-D549 WeakPolarHBondContact O-CA 3.36Å; P534-M550 HydrophobicContact CB-CB 4.48Å; P534-M550 HydrophobicContact CB-CG 4Å; P534-M550 HydrophobicContact CG-CG 4.4Å; P534-M550 PolarHBondContact O-N 3.13Å | ||
| 535 | I | 93.7 | Very high | 90.7 | Very high | 11 Ų | 11 | 39.8 Ų | 39.8 | 6% | 0.056 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 125.1 | 179.5 | -65.3 | 168.6 | 0 | 0 | 0 | 110 | A501 L512 V531 A533 L537 L538 T547 | A501-I535 HydrophobicContact CB-CB 3.68Å; A501-I535 HydrophobicContact CB-CD1 3.78Å; A501-I535 HydrophobicContact CB-CG1 4.29Å; A501-I535 HydrophobicContact CB-CG2 3.88Å; L512-I535 HydrophobicContact CD1-CD1 4.43Å; L512-I535 HydrophobicContact CD2-CD1 3.71Å; L512-I535 HydrophobicContact CG-CD1 3.94Å; V531-I535 HydrophobicContact CB-CD1 4.39Å; V531-I535 HydrophobicContact CG1-CD1 4.12Å; V531-I535 HydrophobicContact CG2-CD1 3.88Å; V531-I535 HydrophobicContact CG2-CG1 4.21Å; A533-I535 PolarHBondContact O-N 3.33Å; I535-L537 VanDerWaalsContact CG2-O 3.24Å; I535-L537 WeakPolarHBondContact CG2-O 3.26Å; I535-L538 HydrophobicContact CG2-CD1 4.45Å; I535-T547 HydrophobicContact CD1-CG2 3.63Å; I535-T547 HydrophobicContact CG1-CG2 4.41Å; I535-T547 HydrophobicContact CG2-CG2 4.48Å |
| 536 | L | 91.2 | Very high | 90.9 | Very high | 38 Ų | 38 | 38.2 Ų | 38.2 | 20% | 0.199 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | -44.1 | 176.4 | -63.8 | -179 | 0 | 0 | 0 | 112.4 | S489 F548 M550 P588 F589 | S489-L536 WeakPolarHBondContact CB-O 3.5Å; L536-F548 HydrophobicContact CB-CD1 4.18Å; L536-F548 HydrophobicContact CD1-CD1 4.32Å; L536-F548 HydrophobicContact CD1-CE1 3.99Å; L536-F548 PolarHBondContact N-O 3.06Å; L536-M550 HydrophobicContact CD1-CG 4.34Å; L536-M550 HydrophobicContact CD1-SD 3.76Å; L536-M550 HydrophobicContact CD2-CG 4.03Å; L536-M550 HydrophobicContact CD2-SD 3.79Å; L536-M550 HydrophobicContact CG-CG 4.11Å; L536-M550 HydrophobicContact CG-SD 4.04Å; L536-P588 HydrophobicContact CD1-CB 3.69Å; L536-F589 HydrophobicContact CD1-CD1 4.16Å; L536-F589 HydrophobicContact CD1-CE1 4.32Å; L536-F589 HydrophobicContact CD2-CD1 4.09Å; L536-F589 HydrophobicContact CD2-CE1 3.51Å; L536-F589 HydrophobicContact CD2-CZ 4.25Å |
| 537 | L | 91.8 | Very high | 91.1 | Very high | 35 Ų | 35 | 37.6 Ų | 37.6 | 18% | 0.183 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 143.9 | -177.6 | -53.4 | 171 | 0 | 0 | 0 | 111.3 | I535 T547 F548 V591 A594 | I535-L537 VanDerWaalsContact CG2-O 3.24Å; I535-L537 WeakPolarHBondContact CG2-O 3.26Å; L537-T547 CarbonylContact O-C 3.58Å; L537-T547 WeakPolarHBondContact O-CA 3.17Å; L537-F548 HydrophobicContact CB-CB 4.1Å; L537-F548 HydrophobicContact CD1-CD1 4.14Å; L537-F548 HydrophobicContact CG-CD1 4.34Å; L537-F548 PolarHBondContact N-O 3.39Å; L537-F548 PolarHBondContact O-N 3.4Å; L537-V591 HydrophobicContact CD1-CB 4.42Å; L537-V591 HydrophobicContact CD1-CG1 3.73Å; L537-A594 HydrophobicContact CD1-CB 4.09Å |
| 538 | L | 90.9 | Very high | 91.3 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 122.2 | -175.7 | -165.7 | 74.9 | 0 | 0 | 0 | 108.7 | S489 R492 L499 L512 I535 L545 T547 | S489-L538 VanDerWaalsContact OG-CB 3.32Å; S489-L538 WeakPolarHBondContact OG-CB 3.41Å; R492-L538 HydrophobicContact CB-CD2 4.33Å; R492-L538 HydrophobicContact CG-CB 4.48Å; R492-L538 HydrophobicContact CG-CD2 3.81Å; R492-L538 HydrophobicContact CG-CG 4.05Å; R492-L538 PolarHBondContact NE-O 2.91Å; R492-L538 PolarHBondContact NH2-O 3.03Å; L499-L538 HydrophobicContact CD2-CD1 4.23Å; L499-L538 HydrophobicContact CD2-CD2 3.98Å; L499-L538 HydrophobicContact CD2-CG 4.33Å; L499-L538 HydrophobicContact CG-CD2 4.02Å; L512-L538 HydrophobicContact CD2-CD1 3.75Å; I535-L538 HydrophobicContact CG2-CD1 4.45Å; L538-L545 HydrophobicContact CD1-CD1 3.65Å; L538-L545 HydrophobicContact CG-CD1 4.12Å; L538-T547 HydrophobicContact CD1-CG2 3.9Å |
| 539 | T | 89.4 | Confident | 91.4 | Very high | 11 Ų | 11 | 29.3 Ų | 29.3 | 7% | 0.067 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 140.4 | 176.6 | 51.5 | 0 | 0 | 0 | 0 | 111.1 | M546 A594 Q595 | T539-M546 PolarHBondContact N-O 2.89Å; T539-M546 PolarHBondContact O-N 3Å; T539-A594 WeakPolarHBondContact CG2-O 3.06Å; T539-A594 PolarHBondContact OG1-O 3.49Å; T539-Q595 HydrophobicContact CG2-CG 4.1Å |
| 540 | I | 87.8 | Confident | 91.4 | Very high | 19 Ų | 19 | 31.2 Ų | 31.2 | 10% | 0.097 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 138.4 | 175.6 | -56.8 | -178.5 | 0 | 0 | 0 | 108.2 | R492 W494 L499 V544 L545 | R492-I540 HydrophobicContact CB-CD1 3.76Å; R492-I540 HydrophobicContact CB-CG1 4.21Å; R492-I540 HydrophobicContact CG-CG1 4.46Å; W494-I540 HydrophobicContact CB-CD1 3.71Å; W494-I540 HydrophobicContact CB-CG2 4.4Å; W494-I540 HydrophobicContact CG-CG2 4.46Å; L499-I540 HydrophobicContact CD2-CD1 3.86Å; L499-I540 HydrophobicContact CD2-CG1 4.5Å; I540-V544 WeakPolarHBondContact CA-O 3.48Å; I540-L545 HydrophobicContact CD1-CD1 4.41Å; I540-L545 HydrophobicContact CG1-CD1 3.77Å |
| 541 | R | 84.7 | Confident | 91.5 | Very high | 14 Ų | 14 | 28.9 Ų | 28.9 | 5% | 0.053 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 125.7 | 165.7 | 177.6 | 159.6 | -88.1 | 152.8 | -10.1 | 108.4 | D543 V544 V596 I612 C661 G662 | R541-D543 PolarHBondContact O-N 3.44Å; R541-V544 PolarHBondContact N-O 3.25Å; R541-V544 PolarHBondContact O-N 3.32Å; R541-V596 HydrophobicContact CB-CG2 3.72Å; R541-V596 WeakPolarHBondContact CD-O 3.5Å; R541-V596 PolarHBondContact NH1-O 2.87Å; R541-I612 HydrophobicContact CG-CD1 4.4Å; R541-C661 PolarHBondContact NH2-O 2.98Å; R541-G662 PolarHBondContact NH2-O 2.86Å |
| 542 | D | 82.3 | Confident | 91.7 | Very high | 89 Ų | 89 | 27.9 Ų | 27.9 | 48% | 0.476 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | -117.5 | -170.6 | -52.6 | -35.9 | 0 | 0 | 0 | 111.5 | W494 | W494-D542 PolarHBondContact NE1-O 3.49Š|
| 543 | D | 90.1 | Very high | 91.9 | Very high | 37 Ų | 37 | 24.6 Ų | 24.6 | 20% | 0.198 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 21.9 | 174.8 | -73.3 | -32 | 0 | 0 | 0 | 112.7 | W494 R495 R541 T558 L559 | W494-D543 PolarHBondContact NE1-OD1 2.86Å; R495-D543 IonicContact CZ-OD1 3.23Å; R495-D543 IonicContact CZ-OD2 3.8Å; R495-D543 IonicContact NE-OD1 3.86Å; R495-D543 PolarHBondContact NE-OD1 2.78Å; R495-D543 IonicContact NH1-OD1 3.53Å; R495-D543 PolarHBondContact NH1-OD1 3.05Å; R495-D543 IonicContact NH1-OD2 2.7Å; R495-D543 PolarHBondContact NH1-OD2 3.33Å; R495-D543 VanDerWaalsContact NH2-CG 3.28Å; R495-D543 IonicContact NH2-OD1 2.9Å; R495-D543 PolarHBondContact NH2-OD1 2.79Å; R495-D543 VanDerWaalsContact NH2-OD1 3.16Å; R495-D543 IonicContact NH2-OD2 2.65Å; R495-D543 PolarHBondContact NH2-OD2 3.15Å; R541-D543 PolarHBondContact O-N 3.44Å; D543-T558 WeakPolarHBondContact O-CA 3.47Å; D543-L559 PolarHBondContact O-N 3.22Å |
| 544 | V | 91.8 | Very high | 92 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.006 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 117.4 | 175.9 | -177 | 0 | 0 | 0 | 0 | 109.8 | I540 R541 L556 F557 V596 N610 I612 | I540-V544 WeakPolarHBondContact CA-O 3.48Å; R541-V544 PolarHBondContact N-O 3.25Å; R541-V544 PolarHBondContact O-N 3.32Å; V544-L556 HydrophobicContact CG1-CB 4.47Å; V544-L556 HydrophobicContact CG1-CD2 4.28Å; V544-F557 WeakPolarHBondContact CA-O 3.47Å; V544-V596 HydrophobicContact CG1-CG1 4.46Å; V544-N610 HydrophobicContact CG2-CB 4.33Å; V544-I612 HydrophobicContact CB-CG1 4.1Å; V544-I612 HydrophobicContact CG1-CG1 4.14Å; V544-I612 HydrophobicContact CG2-CG1 3.93Å |
| 545 | L | 93 | Very high | 92 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 130.6 | 170.6 | 165.6 | 66.1 | 0 | 0 | 0 | 108.8 | L499 L512 F514 L538 I540 T547 L556 F557 L559 | L499-L545 HydrophobicContact CD2-CD1 3.65Å; L499-L545 HydrophobicContact CD2-CD2 3.78Å; L499-L545 HydrophobicContact CD2-CG 4.36Å; L512-L545 HydrophobicContact CD1-CD2 3.93Å; F514-L545 HydrophobicContact CZ-CD2 4.27Å; L538-L545 HydrophobicContact CD1-CD1 3.65Å; L538-L545 HydrophobicContact CG-CD1 4.12Å; I540-L545 HydrophobicContact CD1-CD1 4.41Å; I540-L545 HydrophobicContact CG1-CD1 3.77Å; L545-T547 HydrophobicContact CG-CG2 4.42Å; L545-L556 CarbonylContact O-C 3.57Å; L545-L556 WeakPolarHBondContact O-CA 3.46Å; L545-F557 HydrophobicContact CB-CB 4.27Å; L545-F557 HydrophobicContact CD2-CD2 4.26Å; L545-F557 HydrophobicContact CG-CD2 4.28Å; L545-F557 PolarHBondContact N-O 3.22Å; L545-F557 PolarHBondContact O-N 2.68Å; L545-L559 HydrophobicContact CB-CD1 3.89Å; L545-L559 HydrophobicContact CB-CD2 4.02Å; L545-L559 HydrophobicContact CB-CG 3.88Å; L545-L559 HydrophobicContact CD2-CD2 4.1Å |
| 546 | M | 93.1 | Very high | 92.1 | Very high | 2 Ų | 2 | 20.9 Ų | 20.9 | 1% | 0.01 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 132.8 | 167.7 | -170.5 | 179 | 68.4 | 0 | 0 | 110.9 | T539 C554 T555 L556 A594 Q595 V596 V615 | T539-M546 PolarHBondContact N-O 2.89Å; T539-M546 PolarHBondContact O-N 3Å; M546-C554 HydrophobicContact SD-CB 4.12Å; M546-T555 WeakPolarHBondContact CA-O 3.42Å; M546-L556 HydrophobicContact CB-CG 4.45Å; M546-L556 HydrophobicContact CG-CD1 4.13Å; M546-L556 HydrophobicContact CG-CG 4.22Å; M546-L556 HydrophobicContact SD-CD1 4.14Å; M546-A594 HydrophobicContact CE-CB 3.59Å; M546-A594 WeakPolarHBondContact CE-O 3.15Å; M546-Q595 VanDerWaalsContact CE-N 3.34Å; M546-V596 HydrophobicContact CB-CG1 3.84Å; M546-V596 HydrophobicContact CE-CG1 4.45Å; M546-V596 HydrophobicContact CG-CG1 4.29Å; M546-V596 HydrophobicContact SD-CG1 3.77Å; M546-V615 HydrophobicContact CE-CG1 4.25Å; M546-V615 HydrophobicContact SD-CG1 3.85Å; M546-V615 HydrophobicContact SD-CG2 4.29Å |
| 547 | T | 94.5 | Very high | 92.3 | Very high | 4 Ų | 4 | 19.6 Ų | 19.6 | 3% | 0.025 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 142.9 | 171.3 | 65.8 | 0 | 0 | 0 | 0 | 109.4 | L512 I535 L537 L538 L545 C554 T555 F557 | L512-T547 HydrophobicContact CD1-CG2 4.11Å; L512-T547 HydrophobicContact CD2-CG2 4.23Å; I535-T547 HydrophobicContact CD1-CG2 3.63Å; I535-T547 HydrophobicContact CG1-CG2 4.41Å; I535-T547 HydrophobicContact CG2-CG2 4.48Å; L537-T547 CarbonylContact O-C 3.58Å; L537-T547 WeakPolarHBondContact O-CA 3.17Å; L538-T547 HydrophobicContact CD1-CG2 3.9Å; L545-T547 HydrophobicContact CG-CG2 4.42Å; T547-C554 CarbonylContact O-C 3.57Å; T547-C554 VanDerWaalsContact O-CA 3.27Å; T547-C554 WeakPolarHBondContact O-CA 3.47Å; T547-T555 PolarHBondContact N-O 2.91Å; T547-T555 PolarHBondContact O-N 3.22Å; T547-F557 HydrophobicContact CG2-CD2 4.3Å; T547-F557 HydrophobicContact CG2-CE2 3.76Å |
| 548 | F | 95 | Very high | 92.4 | Very high | 1 Ų | 1 | 18.7 Ų | 18.7 | 0% | 0.004 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 128.8 | 164.9 | 174.8 | -105.8 | 0 | 0 | 0 | 109.5 | L536 L537 A552 K553 L581 P588 V591 | L536-F548 HydrophobicContact CB-CD1 4.18Å; L536-F548 HydrophobicContact CD1-CD1 4.32Å; L536-F548 HydrophobicContact CD1-CE1 3.99Å; L536-F548 PolarHBondContact N-O 3.06Å; L537-F548 HydrophobicContact CB-CB 4.1Å; L537-F548 HydrophobicContact CD1-CD1 4.14Å; L537-F548 HydrophobicContact CG-CD1 4.34Å; L537-F548 PolarHBondContact N-O 3.39Å; L537-F548 PolarHBondContact O-N 3.4Å; F548-A552 HydrophobicContact CE2-CB 4.3Å; F548-A552 HydrophobicContact CZ-CB 4.35Å; F548-K553 WeakPolarHBondContact CA-O 3.41Å; F548-L581 HydrophobicContact CD2-CD1 4.28Å; F548-L581 HydrophobicContact CE2-CD1 4.01Å; F548-P588 HydrophobicContact CE1-CB 4.24Å; F548-P588 WeakPolarHBondContact CE1-O 3.41Å; F548-P588 HydrophobicContact CZ-CB 4.25Å; F548-V591 HydrophobicContact CD1-CB 4.14Å; F548-V591 HydrophobicContact CD1-CG1 4.23Å; F548-V591 HydrophobicContact CE1-CB 3.58Å; F548-V591 HydrophobicContact CE1-CG1 4.13Å; F548-V591 HydrophobicContact CE1-CG2 3.65Å; F548-V591 HydrophobicContact CE2-CG2 4.14Å; F548-V591 HydrophobicContact CZ-CB 3.92Å; F548-V591 HydrophobicContact CZ-CG1 4.45Å; F548-V591 HydrophobicContact CZ-CG2 3.42Å; F548-V591 VanDerWaalsContact CZ-CG2 3.42Å |
| 549 | D | 94.6 | Very high | 92.5 | Very high | 8 Ų | 8 | 18.7 Ų | 18.7 | 4% | 0.043 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 169.4 | -170.5 | 67.5 | 28 | 0 | 0 | 0 | 114.9 | A533 P534 A551 A552 K553 | A533-D549 HydrophobicContact CB-CB 4.11Å; P534-D549 CarbonylContact O-C 3.56Å; P534-D549 WeakPolarHBondContact O-CA 3.36Å; D549-A551 PolarHBondContact O-N 3.34Å; D549-A551 VanDerWaalsContact OD1-C 3.26Å; D549-A551 VanDerWaalsContact OD1-CA 3.27Å; D549-A551 WeakPolarHBondContact OD1-CA 3.48Å; D549-A551 WeakPolarHBondContact OD1-CB 3.46Å; D549-A551 PolarHBondContact OD1-N 2.88Å; D549-A552 PolarHBondContact O-N 2.97Å; D549-A552 PolarHBondContact OD1-N 3.36Å; D549-A552 VanDerWaalsContact OD1-N 3.15Å; D549-K553 PolarHBondContact N-O 2.82Å; D549-K553 VanDerWaalsContact N-O 3.12Å; D549-K553 PolarHBondContact OD1-N 3.35Å |
| 550 | M | 93.5 | Very high | 92.7 | Very high | 69 Ų | 69 | 20.5 Ų | 20.5 | 34% | 0.34 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -11.5 | 173.6 | -82.3 | -66 | -63 | 0 | 0 | 114.4 | P534 L536 A552 P588 F589 | P534-M550 HydrophobicContact CB-CB 4.48Å; P534-M550 HydrophobicContact CB-CG 4Å; P534-M550 HydrophobicContact CG-CG 4.4Å; P534-M550 PolarHBondContact O-N 3.13Å; L536-M550 HydrophobicContact CD1-CG 4.34Å; L536-M550 HydrophobicContact CD1-SD 3.76Å; L536-M550 HydrophobicContact CD2-CG 4.03Å; L536-M550 HydrophobicContact CD2-SD 3.79Å; L536-M550 HydrophobicContact CG-CG 4.11Å; L536-M550 HydrophobicContact CG-SD 4.04Å; M550-A552 VanDerWaalsContact C-N 3.28Å; M550-P588 WeakPolarHBondContact O-CG 3.26Å; M550-P588 HydrophobicContact SD-CB 4.32Å; M550-F589 HydrophobicContact CE-CE2 4.12Å; M550-F589 HydrophobicContact CE-CZ 4.31Å; M550-F589 HydrophobicContact SD-CE1 4.19Å; M550-F589 HydrophobicContact SD-CE2 4.01Å; M550-F589 HydrophobicContact SD-CZ 3.74Å |
| 551 | A | 94.9 | Very high | 92.7 | Very high | 46 Ų | 46 | 21 Ų | 21 | 38% | 0.38 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 11.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A533 D549 K553 | A533-A551 HydrophobicContact CB-CB 4.37Å; D549-A551 PolarHBondContact O-N 3.34Å; D549-A551 VanDerWaalsContact OD1-C 3.26Å; D549-A551 VanDerWaalsContact OD1-CA 3.27Å; D549-A551 WeakPolarHBondContact OD1-CA 3.48Å; D549-A551 WeakPolarHBondContact OD1-CB 3.46Å; D549-A551 PolarHBondContact OD1-N 2.88Å; A551-K553 VanDerWaalsContact C-N 3.3Å; A551-K553 HydrophobicContact CB-CD 4.44Å; A551-K553 HydrophobicContact CB-CG 4.28Å; A551-K553 PolarHBondContact O-N 3.27Å |
| 552 | A | 95.3 | Very high | 92.5 | Very high | 6 Ų | 6 | 22.5 Ų | 22.5 | 5% | 0.05 | 13% | 0.132 | C | C | . | . | S | Bend | trans | 59.2 | 32.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | F548 D549 M550 L581 P588 | F548-A552 HydrophobicContact CE2-CB 4.3Å; F548-A552 HydrophobicContact CZ-CB 4.35Å; D549-A552 PolarHBondContact O-N 2.97Å; D549-A552 PolarHBondContact OD1-N 3.36Å; D549-A552 VanDerWaalsContact OD1-N 3.15Å; M550-A552 VanDerWaalsContact C-N 3.28Å; A552-L581 WeakPolarHBondContact O-CA 3.37Å; A552-L581 WeakPolarHBondContact O-CB 3.44Å; A552-L581 PolarHBondContact O-N 2.85Å; A552-P588 HydrophobicContact CB-CG 4.32Å |
| 553 | K | 95.3 | Very high | 91.7 | Very high | 52 Ų | 52 | 23.2 Ų | 23.2 | 23% | 0.226 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 131.3 | 175 | -49 | 175 | -169.8 | 171.2 | 0 | 111 | E532 F548 D549 A551 I578 I579 | E532-K553 IonicContact OE2-NZ 2.68Å; E532-K553 PolarHBondContact OE2-NZ 3.39Å; F548-K553 WeakPolarHBondContact CA-O 3.41Å; D549-K553 PolarHBondContact N-O 2.82Å; D549-K553 VanDerWaalsContact N-O 3.12Å; D549-K553 PolarHBondContact OD1-N 3.35Å; A551-K553 VanDerWaalsContact C-N 3.3Å; A551-K553 HydrophobicContact CB-CD 4.44Å; A551-K553 HydrophobicContact CB-CG 4.28Å; A551-K553 PolarHBondContact O-N 3.27Å; K553-I578 HydrophobicContact CB-CG2 4.07Å; K553-I578 HydrophobicContact CD-CG2 4.12Å; K553-I578 HydrophobicContact CG-CG2 4.41Å; K553-I579 CarbonylContact C-O 3.45Å; K553-I579 WeakPolarHBondContact CA-O 3.31Å |
| 554 | C | 94.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 113.4 | 161.8 | -81.7 | 0 | 0 | 0 | 0 | 109.2 | M546 T547 I579 | M546-C554 HydrophobicContact SD-CB 4.12Å; T547-C554 CarbonylContact O-C 3.57Å; T547-C554 VanDerWaalsContact O-CA 3.27Å; T547-C554 WeakPolarHBondContact O-CA 3.47Å; C554-I579 HydrophobicContact CB-CB 4.07Å; C554-I579 PolarHBondContact N-O 3.06Å; C554-I579 PolarHBondContact O-N 3.47Å |
| 555 | T | 95 | Very high | 88.6 | Confident | 5 Ų | 5 | 33.7 Ų | 33.7 | 3% | 0.031 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 129.4 | 175.4 | -62.3 | 0 | 0 | 0 | 0 | 110.3 | M546 T547 F557 K575 T577 I578 | M546-T555 WeakPolarHBondContact CA-O 3.42Å; T547-T555 PolarHBondContact N-O 2.91Å; T547-T555 PolarHBondContact O-N 3.22Å; T555-F557 HydrophobicContact CG2-CD2 3.93Å; T555-F557 HydrophobicContact CG2-CE1 4.24Å; T555-F557 HydrophobicContact CG2-CE2 3.37Å; T555-F557 HydrophobicContact CG2-CZ 3.56Å; T555-K575 HydrophobicContact CG2-CD 4.05Å; T555-K575 HydrophobicContact CG2-CG 3.51Å; T555-T577 WeakPolarHBondContact CA-O 3.21Å; T555-I578 HydrophobicContact CG2-CG1 4.35Å |
| 556 | L | 95.2 | Very high | 86.7 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 129.3 | 174.7 | -71.1 | 76.8 | 0 | 0 | 0 | 110.1 | V544 L545 M546 R576 T577 I579 V596 F608 I612 | V544-L556 HydrophobicContact CG1-CB 4.47Å; V544-L556 HydrophobicContact CG1-CD2 4.28Å; L545-L556 CarbonylContact O-C 3.57Å; L545-L556 WeakPolarHBondContact O-CA 3.46Å; M546-L556 HydrophobicContact CB-CG 4.45Å; M546-L556 HydrophobicContact CG-CD1 4.13Å; M546-L556 HydrophobicContact CG-CG 4.22Å; M546-L556 HydrophobicContact SD-CD1 4.14Å; L556-R576 PolarHBondContact O-N 3.1Å; L556-T577 PolarHBondContact N-O 2.96Å; L556-T577 PolarHBondContact O-N 3Å; L556-I579 HydrophobicContact CD1-CD1 4.05Å; L556-V596 HydrophobicContact CD2-CG1 3.77Å; L556-V596 HydrophobicContact CG-CG1 4.12Å; L556-F608 HydrophobicContact CD2-CB 3.86Å; L556-I612 HydrophobicContact CD2-CG2 4.32Å |
| 557 | F | 94.4 | Very high | 84.9 | Confident | 11 Ų | 11 | 52.1 Ų | 52.1 | 5% | 0.048 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 137.3 | 176 | -58.7 | -99.4 | 0 | 0 | 0 | 110.2 | L512 V544 L545 T547 T555 A573 E574 K575 | L512-F557 HydrophobicContact CD1-CE2 4.27Å; L512-F557 HydrophobicContact CD1-CZ 4.28Å; V544-F557 WeakPolarHBondContact CA-O 3.47Å; L545-F557 HydrophobicContact CB-CB 4.27Å; L545-F557 HydrophobicContact CD2-CD2 4.26Å; L545-F557 HydrophobicContact CG-CD2 4.28Å; L545-F557 PolarHBondContact N-O 3.22Å; L545-F557 PolarHBondContact O-N 2.68Å; T547-F557 HydrophobicContact CG2-CD2 4.3Å; T547-F557 HydrophobicContact CG2-CE2 3.76Å; T555-F557 HydrophobicContact CG2-CD2 3.93Å; T555-F557 HydrophobicContact CG2-CE1 4.24Å; T555-F557 HydrophobicContact CG2-CE2 3.37Å; T555-F557 HydrophobicContact CG2-CZ 3.56Å; F557-A573 HydrophobicContact CB-CB 4.49Å; F557-A573 HydrophobicContact CD1-CB 4.28Å; F557-E574 CarbonylContact C-O 3.59Å; F557-E574 VanDerWaalsContact CA-O 3.24Å; F557-E574 WeakPolarHBondContact CA-O 3.37Å; F557-K575 HydrophobicContact CD1-CB 4.15Å; F557-K575 HydrophobicContact CD1-CG 4.3Å; F557-K575 HydrophobicContact CE1-CB 4.12Å; F557-K575 HydrophobicContact CE1-CG 3.97Å; F557-K575 HydrophobicContact CZ-CG 4.41Å |
| 558 | T | 94.8 | Very high | 83.5 | Confident | 16 Ų | 16 | 58 Ų | 58 | 10% | 0.098 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 123.8 | 161.5 | -58.4 | 0 | 0 | 0 | 0 | 108.9 | D543 A573 E574 R576 N610 | D543-T558 WeakPolarHBondContact O-CA 3.47Å; T558-A573 WeakPolarHBondContact O-CA 3.42Å; T558-E574 PolarHBondContact N-O 2.82Å; T558-E574 PolarHBondContact O-N 3.22Å; T558-R576 VanDerWaalsContact OG1-CG 3.23Å; T558-R576 WeakPolarHBondContact OG1-CG 3.45Å; T558-R576 PolarHBondContact OG1-NE 3Å; T558-R576 VanDerWaalsContact OG1-NE 3.07Å; T558-N610 WeakPolarHBondContact CG2-ND2 3.44Å; T558-N610 PolarHBondContact OG1-ND2 2.93Å |
| 559 | L | 94 | Very high | 82.3 | Confident | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 144.2 | 173.6 | -57.4 | -174.5 | 0 | 0 | 0 | 110.7 | W494 F514 D543 L545 R572 A573 | W494-L559 HydrophobicContact CD2-CB 4.31Å; W494-L559 HydrophobicContact CD2-CD1 3.66Å; W494-L559 HydrophobicContact CE3-CD1 4.01Å; W494-L559 HydrophobicContact CG-CD1 3.93Å; W494-L559 HydrophobicContact CH2-CB 3.7Å; W494-L559 HydrophobicContact CZ2-CB 3.34Å; W494-L559 HydrophobicContact CZ2-CD1 4.26Å; W494-L559 HydrophobicContact CZ2-CG 4.46Å; W494-L559 HydrophobicContact CZ3-CB 4.33Å; W494-L559 HydrophobicContact CZ3-CD1 4.43Å; F514-L559 HydrophobicContact CE1-CD1 4.09Å; F514-L559 HydrophobicContact CE1-CD2 4.01Å; F514-L559 HydrophobicContact CZ-CD2 3.88Å; D543-L559 PolarHBondContact O-N 3.22Å; L545-L559 HydrophobicContact CB-CD1 3.89Å; L545-L559 HydrophobicContact CB-CD2 4.02Å; L545-L559 HydrophobicContact CB-CG 3.88Å; L545-L559 HydrophobicContact CD2-CD2 4.1Å; L559-R572 CarbonylContact C-O 3.59Å; L559-A573 HydrophobicContact CD2-CB 3.62Å |
| 560 | S | 92.3 | Very high | 81.7 | Confident | 49 Ų | 49 | 63.6 Ų | 63.6 | 34% | 0.343 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 141.6 | 170.9 | 54.6 | 0 | 0 | 0 | 0 | 109.9 | V571 R572 | S560-V571 CarbonylContact O-C 3.43Å; S560-V571 WeakPolarHBondContact O-CA 3.27Å; S560-R572 PolarHBondContact N-O 3.01Å; S560-R572 PolarHBondContact O-N 3.3Å; S560-R572 PolarHBondContact OG-O 2.88Å |
| 561 | A | 87.5 | Confident | 81.5 | Confident | 30 Ų | 30 | 60.6 Ų | 60.6 | 25% | 0.248 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 129.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | W494 F497 V563 T570 | W494-A561 HydrophobicContact CH2-CB 3.57Å; W494-A561 HydrophobicContact CZ2-CB 4.41Å; W494-A561 HydrophobicContact CZ3-CB 4.02Å; F497-A561 HydrophobicContact CE2-CB 4.13Å; A561-V563 HydrophobicContact CB-CG2 4.34Å; A561-T570 WeakPolarHBondContact CA-O 3.42Å |
| 562 | D | 80.2 | Confident | 81.3 | Confident | 45 Ų | 45 | 65.7 Ų | 65.7 | 24% | 0.241 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 100.6 | 171.5 | -176.6 | 5.7 | 0 | 0 | 0 | 109 | T564 K565 T570 | D562-T564 WeakPolarHBondContact OD1-CB 3.09Å; D562-T564 PolarHBondContact OD1-N 2.89Å; D562-T564 PolarHBondContact OD1-OG1 3.04Å; D562-K565 WeakPolarHBondContact OD2-CE 3.45Å; D562-K565 IonicContact OD2-NZ 3.96Å; D562-K565 PolarHBondContact OD2-NZ 2.87Å; D562-T570 PolarHBondContact N-O 3.05Å |
| 563 | V | 66.8 | Low | 81.2 | Confident | 103 Ų | 103 | 66.3 Ų | 66.3 | 62% | 0.624 | 34% | 0.339 | S | S | * | . | trans | -94.4 | -0.5 | 179.6 | -165.8 | 0 | 0 | 0 | 0 | 111 | A561 | A561-V563 HydrophobicContact CB-CG2 4.34Š| ||
| 564 | T | 61.7 | Low | 81.1 | Confident | 125 Ų | 125 | 66.1 Ų | 66.1 | 77% | 0.767 | 34% | 0.339 | S | S | * | . | trans | -84 | -16.1 | -168.5 | 67.7 | 0 | 0 | 0 | 0 | 114.3 | D562 | D562-T564 WeakPolarHBondContact OD1-CB 3.09Å; D562-T564 PolarHBondContact OD1-N 2.89Å; D562-T564 PolarHBondContact OD1-OG1 3.04Å | ||
| 565 | K | 54.4 | Low | 81 | Confident | 133 Ų | 133 | 70.5 Ų | 70.5 | 58% | 0.578 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -87.3 | 140.1 | 178.7 | -67.2 | 172.2 | -177.5 | 132.7 | 0 | 110.5 | D562 Q567 | D562-K565 WeakPolarHBondContact OD2-CE 3.45Å; D562-K565 IonicContact OD2-NZ 3.96Å; D562-K565 PolarHBondContact OD2-NZ 2.87Å; K565-Q567 PolarHBondContact O-N 2.77Å; K565-Q567 VanDerWaalsContact O-O 3.1Å |
| 566 | K | 53.8 | Low | 80.8 | Confident | 224 Ų | 224 | 76.1 Ų | 76.1 | 97% | 0.974 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -72.8 | 13.4 | 173.2 | -71 | -175.2 | 174 | -178.6 | 0 | 114.2 | ||
| 567 | Q | 55.8 | Low | 80.6 | Confident | 166 Ų | 166 | 77.6 Ų | 77.6 | 78% | 0.776 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -116.6 | 157.8 | 172.9 | -72.7 | 179.6 | -29.3 | 0 | 0 | 107.8 | K565 | K565-Q567 PolarHBondContact O-N 2.77Å; K565-Q567 VanDerWaalsContact O-O 3.1Å |
| 568 | Q | 64.2 | Low | 80.6 | Confident | 128 Ų | 128 | 80.9 Ų | 80.9 | 60% | 0.598 | 41% | 0.405 | S | S | * | . | trans | -38.6 | 134.1 | -167.4 | -73.9 | 173.1 | -46.1 | 0 | 0 | 114 | N525 T570 | N525-Q568 PolarHBondContact OD1-NE2 2.66Å; Q568-T570 PolarHBondContact O-N 3.37Å | ||
| 569 | P | 70.5 | Confident | 80.5 | Confident | 45 Ų | 45 | 80.4 Ų | 80.4 | 29% | 0.292 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 122.8 | -170.7 | 30.5 | -36.8 | 0 | 0 | 0 | 110.8 | F497 P516 | F497-P569 HydrophobicContact CE1-CG 4.39Å; F497-P569 HydrophobicContact CZ-CB 3.94Å; F497-P569 HydrophobicContact CZ-CG 4.01Å; P516-P569 HydrophobicContact CB-CG 4.2Å |
| 570 | T | 81.9 | Confident | 80.5 | Confident | 80 Ų | 80 | 84.5 Ų | 84.5 | 49% | 0.491 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 129.1 | -175 | 56.7 | 0 | 0 | 0 | 0 | 111.8 | A561 D562 Q568 | A561-T570 WeakPolarHBondContact CA-O 3.42Å; D562-T570 PolarHBondContact N-O 3.05Å; Q568-T570 PolarHBondContact O-N 3.37Å |
| 571 | V | 88.7 | Confident | 80.6 | Confident | 7 Ų | 7 | 82.2 Ų | 82.2 | 4% | 0.042 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 148.2 | 170.2 | -179.9 | 0 | 0 | 0 | 0 | 109.7 | W494 F497 F514 F527 S560 | W494-V571 HydrophobicContact CH2-CG1 4.3Å; W494-V571 HydrophobicContact CZ3-CG1 3.84Å; W494-V571 HydrophobicContact CZ3-CG2 4.09Å; F497-V571 HydrophobicContact CD1-CG2 3.78Å; F497-V571 HydrophobicContact CD2-CG2 3.96Å; F497-V571 HydrophobicContact CE1-CG2 3.41Å; F497-V571 VanDerWaalsContact CE1-CG2 3.41Å; F497-V571 HydrophobicContact CE2-CG2 3.61Å; F497-V571 HydrophobicContact CG-CG2 4.03Å; F497-V571 HydrophobicContact CZ-CG2 3.31Å; F514-V571 HydrophobicContact CB-CG2 4.36Å; F514-V571 HydrophobicContact CD1-CG1 3.91Å; F514-V571 HydrophobicContact CD2-CG1 4.48Å; F514-V571 HydrophobicContact CE1-CG1 4.04Å; F514-V571 HydrophobicContact CG-CG1 4.15Å; F514-V571 HydrophobicContact CZ-CG1 4.39Å; F527-V571 HydrophobicContact CB-CB 4.27Å; F527-V571 HydrophobicContact CD1-CB 3.65Å; F527-V571 HydrophobicContact CD1-CG1 3.9Å; F527-V571 HydrophobicContact CE1-CB 4.16Å; F527-V571 HydrophobicContact CE1-CG1 4.15Å; F527-V571 WeakPolarHBondContact CE1-O 3.38Å; F527-V571 VanDerWaalsContact CE2-O 3.25Å; F527-V571 WeakPolarHBondContact CE2-O 3.34Å; F527-V571 HydrophobicContact CG-CB 3.98Å; F527-V571 WeakPolarHBondContact CZ-O 3.27Å; S560-V571 CarbonylContact O-C 3.43Å; S560-V571 WeakPolarHBondContact O-CA 3.27Å |
| 572 | R | 90.4 | Very high | 80.7 | Confident | 153 Ų | 153 | 83.8 Ų | 83.8 | 58% | 0.577 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 122.6 | 169.4 | -176.3 | -177 | -172 | -164 | -4.3 | 109.4 | L559 S560 E574 | L559-R572 CarbonylContact C-O 3.59Å; S560-R572 PolarHBondContact N-O 3.01Å; S560-R572 PolarHBondContact O-N 3.3Å; S560-R572 PolarHBondContact OG-O 2.88Å; R572-E574 HydrophobicContact CG-CG 4.28Å; R572-E574 IonicContact CZ-OE1 3.79Å; R572-E574 IonicContact NE-OE1 2.64Å; R572-E574 PolarHBondContact NE-OE1 3.16Å; R572-E574 VanDerWaalsContact NE-OE1 3.16Å; R572-E574 IonicContact NH1-OE1 2.79Å; R572-E574 PolarHBondContact NH1-OE1 3.15Å; R572-E574 IonicContact NH2-OE1 2.66Å; R572-E574 PolarHBondContact NH2-OE1 3.45Å |
| 573 | A | 92.8 | Very high | 81.2 | Confident | 19 Ų | 19 | 89 Ų | 89 | 16% | 0.157 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 113.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | F514 V529 F557 T558 L559 | F514-A573 HydrophobicContact CZ-CB 4.47Å; V529-A573 HydrophobicContact CG2-CB 4.21Å; F557-A573 HydrophobicContact CB-CB 4.49Å; F557-A573 HydrophobicContact CD1-CB 4.28Å; T558-A573 WeakPolarHBondContact O-CA 3.42Å; L559-A573 HydrophobicContact CD2-CB 3.62Å |
| 574 | E | 93.1 | Very high | 82.2 | Confident | 47 Ų | 47 | 87.5 Ų | 87.5 | 22% | 0.22 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 117.7 | 177.9 | -67.6 | -174.4 | -176.1 | 0 | 0 | 110.4 | F557 T558 R572 R576 | F557-E574 CarbonylContact C-O 3.59Å; F557-E574 VanDerWaalsContact CA-O 3.24Å; F557-E574 WeakPolarHBondContact CA-O 3.37Å; T558-E574 PolarHBondContact N-O 2.82Å; T558-E574 PolarHBondContact O-N 3.22Å; R572-E574 HydrophobicContact CG-CG 4.28Å; R572-E574 IonicContact CZ-OE1 3.79Å; R572-E574 IonicContact NE-OE1 2.64Å; R572-E574 PolarHBondContact NE-OE1 3.16Å; R572-E574 VanDerWaalsContact NE-OE1 3.16Å; R572-E574 IonicContact NH1-OE1 2.79Å; R572-E574 PolarHBondContact NH1-OE1 3.15Å; R572-E574 IonicContact NH2-OE1 2.66Å; R572-E574 PolarHBondContact NH2-OE1 3.45Å; E574-R576 PolarHBondContact O-N 3.45Å; E574-R576 IonicContact OE2-CZ 2.62Å; E574-R576 IonicContact OE2-NH1 3.9Å; E574-R576 PolarHBondContact OE2-NH1 3.32Å; E574-R576 IonicContact OE2-NH2 2.78Å; E574-R576 PolarHBondContact OE2-NH2 3.22Å |
| 575 | K | 92.5 | Very high | 83.6 | Confident | 92 Ų | 92 | 82.1 Ų | 82.1 | 40% | 0.4 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 122 | 173.3 | -149.9 | 179 | -161.8 | 179.3 | 0 | 109.1 | E532 T555 F557 I578 | E532-K575 IonicContact OE1-NZ 3.13Å; E532-K575 PolarHBondContact OE1-NZ 2.92Å; T555-K575 HydrophobicContact CG2-CD 4.05Å; T555-K575 HydrophobicContact CG2-CG 3.51Å; F557-K575 HydrophobicContact CD1-CB 4.15Å; F557-K575 HydrophobicContact CD1-CG 4.3Å; F557-K575 HydrophobicContact CE1-CB 4.12Å; F557-K575 HydrophobicContact CE1-CG 3.97Å; F557-K575 HydrophobicContact CZ-CG 4.41Å; K575-I578 HydrophobicContact CD-CD1 4.2Å |
| 576 | R | 91.3 | Very high | 85.2 | Confident | 124 Ų | 124 | 79.4 Ų | 79.4 | 47% | 0.468 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | -45.9 | -178.4 | -70.7 | -63.6 | -172 | -136.4 | -9 | 113.2 | L556 T558 E574 C609 | L556-R576 PolarHBondContact O-N 3.1Å; T558-R576 VanDerWaalsContact OG1-CG 3.23Å; T558-R576 WeakPolarHBondContact OG1-CG 3.45Å; T558-R576 PolarHBondContact OG1-NE 3Å; T558-R576 VanDerWaalsContact OG1-NE 3.07Å; E574-R576 PolarHBondContact O-N 3.45Å; E574-R576 IonicContact OE2-CZ 2.62Å; E574-R576 IonicContact OE2-NH1 3.9Å; E574-R576 PolarHBondContact OE2-NH1 3.32Å; E574-R576 IonicContact OE2-NH2 2.78Å; E574-R576 PolarHBondContact OE2-NH2 3.22Å; R576-C609 HydrophobicContact CB-CB 3.95Å; R576-C609 HydrophobicContact CG-CB 3.95Å |
| 577 | T | 91.9 | Very high | 87 | Confident | 30 Ų | 30 | 71.6 Ų | 71.6 | 18% | 0.184 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 143.4 | -169.1 | -40.5 | 0 | 0 | 0 | 0 | 109.4 | T555 L556 I579 F608 | T555-T577 WeakPolarHBondContact CA-O 3.21Å; L556-T577 PolarHBondContact N-O 2.96Å; L556-T577 PolarHBondContact O-N 3Å; T577-I579 HydrophobicContact CG2-CG1 4.33Å; T577-F608 HydrophobicContact CG2-CD1 4.04Å; T577-F608 PolarHBondContact OG1-O 2.83Å; T577-F608 VanDerWaalsContact OG1-O 3.11Å |
| 578 | I | 93.7 | Very high | 88.8 | Confident | 80 Ų | 80 | 64.6 Ų | 64.6 | 41% | 0.41 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 124.7 | 170.4 | -54.4 | 175.7 | 0 | 0 | 0 | 106.9 | K553 T555 K575 | K553-I578 HydrophobicContact CB-CG2 4.07Å; K553-I578 HydrophobicContact CD-CG2 4.12Å; K553-I578 HydrophobicContact CG-CG2 4.41Å; T555-I578 HydrophobicContact CG2-CG1 4.35Å; K575-I578 HydrophobicContact CD-CD1 4.2Å |
| 579 | I | 93.8 | Very high | 90 | Very high | 7 Ų | 7 | 63.4 Ų | 63.4 | 4% | 0.036 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 119.1 | 176.5 | -65.3 | 167.9 | 0 | 0 | 0 | 106.7 | K553 C554 L556 T577 L581 F608 V615 L626 L646 | K553-I579 CarbonylContact C-O 3.45Å; K553-I579 WeakPolarHBondContact CA-O 3.31Å; C554-I579 HydrophobicContact CB-CB 4.07Å; C554-I579 PolarHBondContact N-O 3.06Å; C554-I579 PolarHBondContact O-N 3.47Å; L556-I579 HydrophobicContact CD1-CD1 4.05Å; T577-I579 HydrophobicContact CG2-CG1 4.33Å; I579-L581 HydrophobicContact CG2-CD2 3.68Å; I579-L581 HydrophobicContact CG2-CG 4.23Å; I579-F608 HydrophobicContact CD1-CD1 4.08Å; I579-F608 HydrophobicContact CD1-CE1 3.72Å; I579-F608 HydrophobicContact CD1-CE2 4.44Å; I579-F608 HydrophobicContact CD1-CZ 3.91Å; I579-F608 HydrophobicContact CG1-CE1 4.27Å; I579-V615 HydrophobicContact CD1-CB 4.44Å; I579-V615 HydrophobicContact CD1-CG2 3.91Å; I579-L626 HydrophobicContact CG2-CD1 4.11Å; I579-L646 HydrophobicContact CG2-CD1 4.12Å |
| 580 | V | 94.1 | Very high | 91.1 | Very high | 87 Ų | 87 | 61.2 Ų | 61.2 | 53% | 0.527 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 127.4 | 178.7 | -172.2 | 0 | 0 | 0 | 0 | 109 | ||
| 581 | L | 93.8 | Very high | 91.6 | Very high | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | trans | -114.2 | 9.6 | -176.1 | -57.5 | 179.2 | 0 | 0 | 0 | 113.5 | F548 A552 I579 D583 L584 V585 V617 L626 | F548-L581 HydrophobicContact CD2-CD1 4.28Å; F548-L581 HydrophobicContact CE2-CD1 4.01Å; A552-L581 WeakPolarHBondContact O-CA 3.37Å; A552-L581 WeakPolarHBondContact O-CB 3.44Å; A552-L581 PolarHBondContact O-N 2.85Å; I579-L581 HydrophobicContact CG2-CD2 3.68Å; I579-L581 HydrophobicContact CG2-CG 4.23Å; L581-D583 PolarHBondContact O-N 3.32Å; L581-D583 VanDerWaalsContact O-N 3.07Å; L581-L584 HydrophobicContact CD2-CD1 4.1Å; L581-L584 PolarHBondContact O-N 3.48Å; L581-V585 HydrophobicContact CB-CG2 3.83Å; L581-V585 WeakPolarHBondContact O-CB 3.38Å; L581-V585 WeakPolarHBondContact O-CG2 3.46Å; L581-V585 PolarHBondContact O-N 2.84Å; L581-V617 HydrophobicContact CD1-CG1 4.24Å; L581-V617 HydrophobicContact CD1-CG2 4.18Å; L581-L626 HydrophobicContact CD2-CD1 3.61Å | ||
| 582 | S | 90.4 | Very high | 91.7 | Very high | 63 Ų | 63 | 57.9 Ų | 57.9 | 44% | 0.441 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.5 | -37.1 | -179.6 | 51.2 | 0 | 0 | 0 | 0 | 113.7 | ||
| 583 | D | 88.9 | Confident | 91.7 | Very high | 155 Ų | 155 | 52.1 Ų | 52.1 | 83% | 0.829 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -11.8 | -171.8 | -54.2 | 1.2 | 0 | 0 | 0 | 112.1 | L581 | L581-D583 PolarHBondContact O-N 3.32Å; L581-D583 VanDerWaalsContact O-N 3.07Å |
| 584 | L | 89.4 | Confident | 91.6 | Very high | 71 Ų | 71 | 51.3 Ų | 51.3 | 37% | 0.372 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | -21.5 | 179.1 | -65 | 174 | 0 | 0 | 0 | 112.9 | L581 I619 L626 P649 | L581-L584 HydrophobicContact CD2-CD1 4.1Å; L581-L584 PolarHBondContact O-N 3.48Å; L584-I619 HydrophobicContact CB-CD1 4.12Å; L584-L626 HydrophobicContact CD1-CD2 4.27Å; L584-P649 HydrophobicContact CD1-CB 4.46Å; L584-P649 HydrophobicContact CD1-CG 3.96Å; L584-P649 HydrophobicContact CD2-CG 4.17Å |
| 585 | V | 90.6 | Very high | 91.5 | Very high | 11 Ų | 11 | 49.6 Ų | 49.6 | 7% | 0.067 | 26% | 0.26 | C | S | . | . | trans | -112.4 | 114.6 | -169.5 | 173.9 | 0 | 0 | 0 | 0 | 109.8 | L581 H587 V591 I619 | L581-V585 HydrophobicContact CB-CG2 3.83Å; L581-V585 WeakPolarHBondContact O-CB 3.38Å; L581-V585 WeakPolarHBondContact O-CG2 3.46Å; L581-V585 PolarHBondContact O-N 2.84Å; V585-H587 WeakPolarHBondContact CG1-O 3.47Å; V585-H587 PolarHBondContact O-N 2.91Å; V585-V591 HydrophobicContact CB-CG2 4.42Å; V585-V591 HydrophobicContact CG1-CG2 3.8Å; V585-V591 HydrophobicContact CG2-CG2 3.63Å; V585-I619 HydrophobicContact CG2-CD1 3.66Å; V585-I619 HydrophobicContact CG2-CG1 4.19Å; V585-I619 HydrophobicContact CG2-CG2 4.33Å | ||
| 586 | P | 87.2 | Confident | 91.3 | Very high | 77 Ų | 77 | 45.3 Ų | 45.3 | 50% | 0.5 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -60.9 | -32.4 | 178.3 | -25.1 | 34.3 | 0 | 0 | 0 | 113.9 | ||
| 587 | H | 91.6 | Very high | 90.9 | Very high | 59 Ų | 59 | 39.7 Ų | 39.7 | 27% | 0.273 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -159.8 | 140.1 | 173 | -171.1 | -82.3 | 0 | 0 | 0 | 109.2 | F218 V585 F589 C590 | F218-H587 HydrophobicContact CD1-CB 4.28Å; F218-H587 HydrophobicContact CD2-CB 4.38Å; F218-H587 HydrophobicContact CE1-CB 4.19Å; F218-H587 AromaticContact CE1-CD2 3.86Å; F218-H587 AromaticContact CE1-CG 3.64Å; F218-H587 AromaticContact CE1-ND1 3.82Å; F218-H587 HydrophobicContact CE2-CB 4.32Å; F218-H587 AromaticContact CE2-ND1 3.91Å; F218-H587 HydrophobicContact CG-CB 4.42Å; F218-H587 HydrophobicContact CZ-CB 4.25Å; F218-H587 AromaticContact CZ-CE1 3.86Å; F218-H587 AromaticContact CZ-CG 3.66Å; F218-H587 AromaticContact CZ-ND1 3.38Å; F218-H587 WeakPolarHBondContact CZ-ND1 3.43Å; V585-H587 WeakPolarHBondContact CG1-O 3.47Å; V585-H587 PolarHBondContact O-N 2.91Å; H587-F589 VanDerWaalsContact C-N 3.3Å; H587-F589 AromaticContact CE1-CD2 3.31Å; H587-F589 WeakPolarHBondContact CE1-CD2 3.4Å; H587-F589 AromaticContact CE1-CE2 3.93Å; H587-F589 AromaticContact ND1-CD2 3.58Å; H587-F589 PolarHBondContact ND1-N 2.95Å; H587-F589 PolarHBondContact O-N 2.99Å; H587-F589 VanDerWaalsContact O-N 3.13Å; H587-C590 VanDerWaalsContact O-CB 3.25Å; H587-C590 WeakPolarHBondContact O-CB 3.5Å; H587-C590 PolarHBondContact O-N 3.38Å |
| 588 | P | 93.3 | Very high | 90.4 | Very high | 19 Ų | 19 | 39.3 Ų | 39.3 | 12% | 0.123 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -46.6 | -44.8 | -177.7 | -30.6 | 31.5 | 0 | 0 | 0 | 115.3 | L536 F548 M550 A552 C590 V591 | L536-P588 HydrophobicContact CD1-CB 3.69Å; F548-P588 HydrophobicContact CE1-CB 4.24Å; F548-P588 WeakPolarHBondContact CE1-O 3.41Å; F548-P588 HydrophobicContact CZ-CB 4.25Å; M550-P588 WeakPolarHBondContact O-CG 3.26Å; M550-P588 HydrophobicContact SD-CB 4.32Å; A552-P588 HydrophobicContact CB-CG 4.32Å; P588-C590 PolarHBondContact O-N 2.81Å; P588-V591 WeakPolarHBondContact O-CB 2.96Å; P588-V591 PolarHBondContact O-N 2.94Å |
| 589 | F | 91.4 | Very high | 89.4 | Confident | 103 Ų | 103 | 37 Ų | 37 | 45% | 0.452 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -59.7 | -14.4 | 175.8 | -70.1 | -56.5 | 0 | 0 | 0 | 115.8 | F218 L536 M550 H587 V591 | F218-F589 HydrophobicContact CE2-CB 3.88Å; F218-F589 HydrophobicContact CZ-CB 4.17Å; F218-F589 HydrophobicContact CZ-CD2 4.11Å; L536-F589 HydrophobicContact CD1-CD1 4.16Å; L536-F589 HydrophobicContact CD1-CE1 4.32Å; L536-F589 HydrophobicContact CD2-CD1 4.09Å; L536-F589 HydrophobicContact CD2-CE1 3.51Å; L536-F589 HydrophobicContact CD2-CZ 4.25Å; M550-F589 HydrophobicContact CE-CE2 4.12Å; M550-F589 HydrophobicContact CE-CZ 4.31Å; M550-F589 HydrophobicContact SD-CE1 4.19Å; M550-F589 HydrophobicContact SD-CE2 4.01Å; M550-F589 HydrophobicContact SD-CZ 3.74Å; H587-F589 VanDerWaalsContact C-N 3.3Å; H587-F589 AromaticContact CE1-CD2 3.31Å; H587-F589 WeakPolarHBondContact CE1-CD2 3.4Å; H587-F589 AromaticContact CE1-CE2 3.93Å; H587-F589 AromaticContact ND1-CD2 3.58Å; H587-F589 PolarHBondContact ND1-N 2.95Å; H587-F589 PolarHBondContact O-N 2.99Å; H587-F589 VanDerWaalsContact O-N 3.13Å; F589-V591 VanDerWaalsContact C-N 3.26Å |
| 590 | C | 92.6 | Very high | 88 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -76.6 | -12.7 | 172.2 | -61.1 | 0 | 0 | 0 | 0 | 112.7 | R265 H587 P588 V592 A620 | R265-C590 WeakPolarHBondContact O-CA 3.39Å; H587-C590 VanDerWaalsContact O-CB 3.25Å; H587-C590 WeakPolarHBondContact O-CB 3.5Å; H587-C590 PolarHBondContact O-N 3.38Å; P588-C590 PolarHBondContact O-N 2.81Å; C590-V592 PolarHBondContact O-N 3.07Å; C590-A620 HydrophobicContact CB-CB 4.48Å; C590-A620 PolarHBondContact O-N 3.22Å |
| 591 | V | 93.4 | Very high | 86.4 | Confident | 6 Ų | 6 | 36.4 Ų | 36.4 | 4% | 0.036 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 113.5 | 171.1 | -173.9 | 0 | 0 | 0 | 0 | 108.6 | L537 F548 V585 P588 F589 A594 V617 N618 I619 | L537-V591 HydrophobicContact CD1-CB 4.42Å; L537-V591 HydrophobicContact CD1-CG1 3.73Å; F548-V591 HydrophobicContact CD1-CB 4.14Å; F548-V591 HydrophobicContact CD1-CG1 4.23Å; F548-V591 HydrophobicContact CE1-CB 3.58Å; F548-V591 HydrophobicContact CE1-CG1 4.13Å; F548-V591 HydrophobicContact CE1-CG2 3.65Å; F548-V591 HydrophobicContact CE2-CG2 4.14Å; F548-V591 HydrophobicContact CZ-CB 3.92Å; F548-V591 HydrophobicContact CZ-CG1 4.45Å; F548-V591 HydrophobicContact CZ-CG2 3.42Å; F548-V591 VanDerWaalsContact CZ-CG2 3.42Å; V585-V591 HydrophobicContact CB-CG2 4.42Å; V585-V591 HydrophobicContact CG1-CG2 3.8Å; V585-V591 HydrophobicContact CG2-CG2 3.63Å; P588-V591 WeakPolarHBondContact O-CB 2.96Å; P588-V591 PolarHBondContact O-N 2.94Å; F589-V591 VanDerWaalsContact C-N 3.26Å; V591-A594 HydrophobicContact CG1-CB 4.39Å; V591-V617 HydrophobicContact CG1-CG1 3.64Å; V591-V617 HydrophobicContact CG2-CG1 4.5Å; V591-N618 WeakPolarHBondContact CA-O 3.33Å; V591-I619 HydrophobicContact CG2-CG1 4.44Å |
| 592 | V | 90.4 | Very high | 84.6 | Confident | 11 Ų | 11 | 38.3 Ų | 38.3 | 7% | 0.067 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | -45.7 | -175.3 | -173.1 | 0 | 0 | 0 | 0 | 110.5 | R265 Y266 C590 N618 | R265-V592 HydrophobicContact CG-CG2 4.34Å; R265-V592 PolarHBondContact NH2-O 3.16Å; Y266-V592 HydrophobicContact CD1-CG2 4.21Å; Y266-V592 HydrophobicContact CE1-CG1 4.37Å; Y266-V592 HydrophobicContact CE1-CG2 3.61Å; Y266-V592 HydrophobicContact CE2-CG2 4.34Å; Y266-V592 VanDerWaalsContact OH-CG1 3.23Å; Y266-V592 WeakPolarHBondContact OH-CG1 3.35Å; C590-V592 PolarHBondContact O-N 3.07Å; V592-N618 HydrophobicContact CB-CB 4.34Å; V592-N618 PolarHBondContact N-O 3.03Å |
| 593 | V | 90.2 | Very high | 83 | Confident | 31 Ų | 31 | 40.2 Ų | 40.2 | 19% | 0.188 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 140.5 | -176.5 | 176.2 | 0 | 0 | 0 | 0 | 108.2 | Q595 N618 | V593-Q595 HydrophobicContact CG1-CG 3.79Å; V593-N618 HydrophobicContact CB-CB 4.08Å; V593-N618 PolarHBondContact O-N 3.43Å |
| 594 | A | 91.4 | Very high | 81.6 | Confident | 2 Ų | 2 | 38.6 Ų | 38.6 | 2% | 0.017 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 127.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | L537 T539 M546 V591 L616 | L537-A594 HydrophobicContact CD1-CB 4.09Å; T539-A594 WeakPolarHBondContact CG2-O 3.06Å; T539-A594 PolarHBondContact OG1-O 3.49Å; M546-A594 HydrophobicContact CE-CB 3.59Å; M546-A594 WeakPolarHBondContact CE-O 3.15Å; V591-A594 HydrophobicContact CG1-CB 4.39Å; A594-L616 CarbonylContact C-O 3.52Å; A594-L616 WeakPolarHBondContact CA-O 3.44Å |
| 595 | Q | 89 | Confident | 80.5 | Confident | 12 Ų | 12 | 38.2 Ų | 38.2 | 6% | 0.056 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 136.9 | -174 | -72.8 | 169.3 | -0.1 | 0 | 0 | 111.8 | S390 L391 T539 M546 V593 L616 | S390-Q595 WeakPolarHBondContact OG-CG 3.45Å; S390-Q595 PolarHBondContact OG-NE2 2.79Å; L391-Q595 VanDerWaalsContact CD1-NE2 3.33Å; T539-Q595 HydrophobicContact CG2-CG 4.1Å; M546-Q595 VanDerWaalsContact CE-N 3.34Å; V593-Q595 HydrophobicContact CG1-CG 3.79Å; Q595-L616 PolarHBondContact N-O 3.23Å; Q595-L616 PolarHBondContact O-N 3.13Å |
| 596 | V | 88.8 | Confident | 80 | Confident | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.012 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 139.5 | 166.9 | -75.7 | 0 | 0 | 0 | 0 | 110.4 | R541 V544 M546 L556 I612 V615 | R541-V596 HydrophobicContact CB-CG2 3.72Å; R541-V596 WeakPolarHBondContact CD-O 3.5Å; R541-V596 PolarHBondContact NH1-O 2.87Å; V544-V596 HydrophobicContact CG1-CG1 4.46Å; M546-V596 HydrophobicContact CB-CG1 3.84Å; M546-V596 HydrophobicContact CE-CG1 4.45Å; M546-V596 HydrophobicContact CG-CG1 4.29Å; M546-V596 HydrophobicContact SD-CG1 3.77Å; L556-V596 HydrophobicContact CD2-CG1 3.77Å; L556-V596 HydrophobicContact CG-CG1 4.12Å; V596-I612 HydrophobicContact CB-CD1 4.06Å; V596-I612 HydrophobicContact CB-CG1 4.19Å; V596-I612 HydrophobicContact CB-CG2 3.78Å; V596-I612 HydrophobicContact CG1-CG2 3.91Å; V596-I612 HydrophobicContact CG2-CD1 4.37Å; V596-V615 HydrophobicContact CG1-CG2 4.21Å |
| 597 | F | 82.8 | Confident | 79.9 | Confident | 5 Ų | 5 | 40 Ų | 40 | 2% | 0.022 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 156.8 | 179.7 | -173.5 | -105.5 | 0 | 0 | 0 | 111.5 | R599 D613 T614 L616 C661 I676 W711 | F597-R599 HydrophobicContact CD1-CG 3.87Å; F597-R599 HydrophobicContact CE1-CB 4.32Å; F597-R599 HydrophobicContact CE1-CG 3.73Å; F597-D613 PolarHBondContact O-N 3.42Å; F597-T614 HydrophobicContact CB-CG2 4.48Å; F597-T614 PolarHBondContact N-O 3.45Å; F597-T614 PolarHBondContact O-N 3.42Å; F597-L616 HydrophobicContact CB-CD1 4.29Å; F597-C661 HydrophobicContact CD2-CB 4.29Å; F597-C661 HydrophobicContact CE2-CB 4.3Å; F597-I676 HydrophobicContact CD1-CD1 4.08Å; F597-I676 HydrophobicContact CD2-CD1 4.31Å; F597-I676 HydrophobicContact CE1-CD1 3.73Å; F597-I676 HydrophobicContact CE1-CG1 4.45Å; F597-I676 HydrophobicContact CE2-CD1 4.01Å; F597-I676 HydrophobicContact CE2-CG1 3.98Å; F597-I676 HydrophobicContact CG-CD1 4.36Å; F597-I676 HydrophobicContact CZ-CD1 3.71Å; F597-I676 HydrophobicContact CZ-CG1 3.92Å; F597-W711 AromaticContact CE1-CH2 3.72Å; F597-W711 HydrophobicContact CE1-CH2 3.72Å; F597-W711 HydrophobicContact CE1-CZ2 4.27Å; F597-W711 AromaticContact CZ-CH2 3.84Å; F597-W711 HydrophobicContact CZ-CH2 3.84Å |
| 598 | S | 81.8 | Confident | 79.6 | Confident | 22 Ų | 22 | 38.3 Ų | 38.3 | 15% | 0.154 | 22% | 0.223 | C | C | . | . | trans | -128.5 | 108.7 | 175.7 | -175.4 | 0 | 0 | 0 | 0 | 107.8 | G600 T611 D613 | S598-G600 VanDerWaalsContact C-N 3.25Å; S598-G600 PolarHBondContact O-N 2.89Å; S598-T611 VanDerWaalsContact CB-O 3.25Å; S598-T611 WeakPolarHBondContact CB-O 3.37Å; S598-T611 PolarHBondContact OG-O 3.13Å; S598-D613 WeakPolarHBondContact CA-OD1 3.4Å | ||
| 599 | R | 72.9 | Confident | 79.2 | Confident | 31 Ų | 31 | 38 Ų | 38 | 12% | 0.117 | 22% | 0.221 | C | C | . | . | trans | -65.2 | -31.2 | -176.1 | -76.6 | 170 | 53.1 | -147.2 | -24 | 112 | F597 V601 E605 D613 T614 W711 | F597-R599 HydrophobicContact CD1-CG 3.87Å; F597-R599 HydrophobicContact CE1-CB 4.32Å; F597-R599 HydrophobicContact CE1-CG 3.73Å; R599-V601 PolarHBondContact O-N 3.38Å; R599-E605 IonicContact CZ-OE1 2.7Å; R599-E605 IonicContact CZ-OE2 2.67Å; R599-E605 IonicContact NE-OE2 3.26Å; R599-E605 VanDerWaalsContact NH1-CD 3.31Å; R599-E605 IonicContact NH1-OE1 2.64Å; R599-E605 PolarHBondContact NH1-OE1 2.97Å; R599-E605 VanDerWaalsContact NH1-OE1 3.14Å; R599-E605 IonicContact NH1-OE2 3.71Å; R599-E605 PolarHBondContact NH1-OE2 3.01Å; R599-E605 VanDerWaalsContact NH2-CD 3.35Å; R599-E605 IonicContact NH2-OE1 3.84Å; R599-E605 PolarHBondContact NH2-OE1 3.34Å; R599-E605 IonicContact NH2-OE2 2.67Å; R599-E605 PolarHBondContact NH2-OE2 3.32Å; R599-D613 VanDerWaalsContact N-CG 3.33Å; R599-D613 PolarHBondContact N-OD1 3.08Å; R599-D613 PolarHBondContact N-OD2 3.39Å; R599-T614 WeakPolarHBondContact CD-OG1 3.32Å; R599-W711 HydrophobicContact CB-CZ2 4.04Å; R599-W711 HydrophobicContact CG-CZ2 3.95Å | ||
| 600 | G | 65 | Low | 78.8 | Confident | 44 Ų | 44 | 37.1 Ų | 37.1 | 45% | 0.454 | 22% | 0.221 | S | C | . | . | trans | 67.9 | -13.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 117 | S598 | S598-G600 VanDerWaalsContact C-N 3.25Å; S598-G600 PolarHBondContact O-N 2.89Å | ||
| 601 | V | 60.4 | Low | 78.2 | Confident | 38 Ų | 38 | 39.6 Ų | 39.6 | 23% | 0.23 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -83.6 | -16.9 | -177.8 | 174.8 | 0 | 0 | 0 | 0 | 112.9 | R599 P690 I692 K710 | R599-V601 PolarHBondContact O-N 3.38Å; V601-P690 HydrophobicContact CG2-CB 3.84Å; V601-P690 HydrophobicContact CG2-CG 4.36Å; V601-I692 HydrophobicContact CG2-CD1 4.47Å; V601-I692 HydrophobicContact CG2-CG1 4.25Å; V601-K710 HydrophobicContact CG1-CD 3.79Å |
| 602 | D | 55.8 | Low | 77.9 | Confident | 42 Ų | 42 | 39.3 Ų | 39.3 | 23% | 0.225 | 23% | 0.234 | C | C | . | . | trans | -141.4 | 119.7 | 176.3 | -73.4 | -70.2 | 0 | 0 | 0 | 110.4 | T604 E605 K710 | D602-T604 VanDerWaalsContact C-N 3.3Å; D602-E605 HydrophobicContact CB-CG 4.24Å; D602-K710 IonicContact OD1-NZ 2.71Å; D602-K710 PolarHBondContact OD1-NZ 3.11Å; D602-K710 WeakPolarHBondContact OD2-CD 3.14Å; D602-K710 IonicContact OD2-NZ 3.86Å; D602-K710 PolarHBondContact OD2-NZ 3.38Å | ||
| 603 | S | 55.9 | Low | 77.7 | Confident | 103 Ų | 103 | 39 Ų | 39 | 72% | 0.72 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -9.6 | 179.9 | 60.4 | 0 | 0 | 0 | 0 | 114.1 | ||
| 604 | T | 59.8 | Low | 77.7 | Confident | 121 Ų | 121 | 37.5 Ų | 37.5 | 74% | 0.742 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -9.3 | -171.6 | 51.2 | 0 | 0 | 0 | 0 | 114.5 | D602 | D602-T604 VanDerWaalsContact C-N 3.3Š|
| 605 | E | 67.2 | Low | 77.7 | Confident | 64 Ų | 64 | 37.4 Ų | 37.4 | 30% | 0.299 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -71 | 150 | 174.2 | -64.9 | -173.2 | 171.4 | 0 | 0 | 110.8 | R599 D602 | R599-E605 IonicContact CZ-OE1 2.7Å; R599-E605 IonicContact CZ-OE2 2.67Å; R599-E605 IonicContact NE-OE2 3.26Å; R599-E605 VanDerWaalsContact NH1-CD 3.31Å; R599-E605 IonicContact NH1-OE1 2.64Å; R599-E605 PolarHBondContact NH1-OE1 2.97Å; R599-E605 VanDerWaalsContact NH1-OE1 3.14Å; R599-E605 IonicContact NH1-OE2 3.71Å; R599-E605 PolarHBondContact NH1-OE2 3.01Å; R599-E605 VanDerWaalsContact NH2-CD 3.35Å; R599-E605 IonicContact NH2-OE1 3.84Å; R599-E605 PolarHBondContact NH2-OE1 3.34Å; R599-E605 IonicContact NH2-OE2 2.67Å; R599-E605 PolarHBondContact NH2-OE2 3.32Å; D602-E605 HydrophobicContact CB-CG 4.24Å |
| 606 | A | 79.4 | Confident | 77.9 | Confident | 30 Ų | 30 | 37 Ų | 37 | 25% | 0.248 | 22% | 0.22 | C | C | . | . | trans | -67.1 | 156.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | P628 A630 | A606-P628 VanDerWaalsContact C-CG 3.47Å; A606-P628 HydrophobicContact CB-CB 4.38Å; A606-P628 HydrophobicContact CB-CG 3.95Å; A606-P628 WeakPolarHBondContact O-CG 3.37Å; A606-A630 HydrophobicContact CB-CB 4.22Å | ||
| 607 | K | 84.4 | Confident | 78.2 | Confident | 96 Ų | 96 | 37 Ų | 37 | 42% | 0.417 | 22% | 0.22 | S | C | . | . | trans | -130.9 | 144.6 | -171.9 | -60.4 | -177 | -171.9 | 171 | 0 | 110.8 | N610 I612 D613 | K607-N610 WeakPolarHBondContact CD-O 3.49Å; K607-I612 CarbonylContact C-O 3.57Å; K607-I612 WeakPolarHBondContact CA-O 3.18Å; K607-I612 WeakPolarHBondContact CB-O 3.31Å; K607-D613 HydrophobicContact CG-CB 4.4Å | ||
| 608 | F | 86.8 | Confident | 78.8 | Confident | 23 Ų | 23 | 36.7 Ų | 36.7 | 10% | 0.101 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -70.5 | -49.9 | 172.1 | -66.9 | -64.9 | 0 | 0 | 0 | 110.4 | L556 T577 I579 I612 V615 L626 P628 L646 | L556-F608 HydrophobicContact CD2-CB 3.86Å; T577-F608 HydrophobicContact CG2-CD1 4.04Å; T577-F608 PolarHBondContact OG1-O 2.83Å; T577-F608 VanDerWaalsContact OG1-O 3.11Å; I579-F608 HydrophobicContact CD1-CD1 4.08Å; I579-F608 HydrophobicContact CD1-CE1 3.72Å; I579-F608 HydrophobicContact CD1-CE2 4.44Å; I579-F608 HydrophobicContact CD1-CZ 3.91Å; I579-F608 HydrophobicContact CG1-CE1 4.27Å; F608-I612 HydrophobicContact CD2-CG2 4.35Å; F608-I612 PolarHBondContact N-O 3.19Å; F608-V615 HydrophobicContact CD2-CG2 3.92Å; F608-V615 HydrophobicContact CE2-CB 4.31Å; F608-V615 HydrophobicContact CE2-CG2 3.76Å; F608-V615 HydrophobicContact CZ-CG2 4.46Å; F608-L626 WeakPolarHBondContact CE2-O 3.24Å; F608-P628 HydrophobicContact CD1-CB 4Å; F608-P628 HydrophobicContact CD1-CG 4.2Å; F608-P628 HydrophobicContact CD2-CG 4.39Å; F608-P628 HydrophobicContact CE1-CB 3.76Å; F608-P628 HydrophobicContact CE1-CG 4.14Å; F608-P628 HydrophobicContact CE2-CG 4.33Å; F608-P628 HydrophobicContact CG-CG 4.34Å; F608-P628 HydrophobicContact CZ-CB 4.19Å; F608-P628 HydrophobicContact CZ-CG 4.22Å; F608-L646 HydrophobicContact CE1-CD2 3.47Å; F608-L646 VanDerWaalsContact CE1-CD2 3.47Å; F608-L646 HydrophobicContact CZ-CD2 3.64Å |
| 609 | C | 84.5 | Confident | 79.4 | Confident | 11 Ų | 11 | 36.3 Ų | 36.3 | 7% | 0.074 | 22% | 0.215 | C | C | . | . | B | Isolated β-bridge | trans | -161 | 153.1 | 170 | 59.4 | 0 | 0 | 0 | 0 | 111 | R576 T611 I612 | R576-C609 HydrophobicContact CB-CB 3.95Å; R576-C609 HydrophobicContact CG-CB 3.95Å; C609-T611 PolarHBondContact O-N 2.84Å; C609-I612 PolarHBondContact O-N 2.92Å |
| 610 | N | 82.1 | Confident | 80.3 | Confident | 85 Ų | 85 | 35.8 Ų | 35.8 | 46% | 0.455 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.2 | -104.7 | 173.7 | -58.4 | -14.8 | 0 | 0 | 0 | 114 | V544 T558 K607 | V544-N610 HydrophobicContact CG2-CB 4.33Å; T558-N610 WeakPolarHBondContact CG2-ND2 3.44Å; T558-N610 PolarHBondContact OG1-ND2 2.93Å; K607-N610 WeakPolarHBondContact CD-O 3.49Å |
| 611 | T | 80.3 | Confident | 81.7 | Confident | 53 Ų | 53 | 33.7 Ų | 33.7 | 33% | 0.325 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -11 | -179.6 | 46.8 | 0 | 0 | 0 | 0 | 113.5 | S598 C609 D613 | S598-T611 VanDerWaalsContact CB-O 3.25Å; S598-T611 WeakPolarHBondContact CB-O 3.37Å; S598-T611 PolarHBondContact OG-O 3.13Å; C609-T611 PolarHBondContact O-N 2.84Å; T611-D613 PolarHBondContact O-N 2.93Å |
| 612 | I | 86.7 | Confident | 83.4 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | B | Isolated β-bridge | trans | -86.1 | 112.1 | -170.9 | -56.8 | -53.6 | 0 | 0 | 0 | 110.5 | R541 V544 L556 V596 K607 F608 C609 | R541-I612 HydrophobicContact CG-CD1 4.4Å; V544-I612 HydrophobicContact CB-CG1 4.1Å; V544-I612 HydrophobicContact CG1-CG1 4.14Å; V544-I612 HydrophobicContact CG2-CG1 3.93Å; L556-I612 HydrophobicContact CD2-CG2 4.32Å; V596-I612 HydrophobicContact CB-CD1 4.06Å; V596-I612 HydrophobicContact CB-CG1 4.19Å; V596-I612 HydrophobicContact CB-CG2 3.78Å; V596-I612 HydrophobicContact CG1-CG2 3.91Å; V596-I612 HydrophobicContact CG2-CD1 4.37Å; K607-I612 CarbonylContact C-O 3.57Å; K607-I612 WeakPolarHBondContact CA-O 3.18Å; K607-I612 WeakPolarHBondContact CB-O 3.31Å; F608-I612 HydrophobicContact CD2-CG2 4.35Å; F608-I612 PolarHBondContact N-O 3.19Å; C609-I612 PolarHBondContact O-N 2.92Å |
| 613 | D | 87.1 | Confident | 85.2 | Confident | 4 Ų | 4 | 33.9 Ų | 33.9 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | trans | -98.8 | -21.5 | 175.3 | 49.9 | 44.2 | 0 | 0 | 0 | 112.5 | F597 S598 R599 K607 T611 P628 | F597-D613 PolarHBondContact O-N 3.42Å; S598-D613 WeakPolarHBondContact CA-OD1 3.4Å; R599-D613 VanDerWaalsContact N-CG 3.33Å; R599-D613 PolarHBondContact N-OD1 3.08Å; R599-D613 PolarHBondContact N-OD2 3.39Å; K607-D613 HydrophobicContact CG-CB 4.4Å; T611-D613 PolarHBondContact O-N 2.93Å; D613-P628 WeakPolarHBondContact O-CD 3.42Å | ||
| 614 | T | 89.7 | Confident | 87.1 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 141.7 | -167.3 | -54.4 | 0 | 0 | 0 | 0 | 111.5 | F597 R599 L616 M625 | F597-T614 HydrophobicContact CB-CG2 4.48Å; F597-T614 PolarHBondContact N-O 3.45Å; F597-T614 PolarHBondContact O-N 3.42Å; R599-T614 WeakPolarHBondContact CD-OG1 3.32Å; T614-L616 HydrophobicContact CG2-CD2 4.2Å; T614-L616 HydrophobicContact CG2-CG 4.33Å; T614-M625 HydrophobicContact CG2-CG 3.4Å; T614-M625 VanDerWaalsContact CG2-CG 3.4Å; T614-M625 HydrophobicContact CG2-SD 3.94Å |
| 615 | V | 92.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 128.7 | 163.7 | 176.5 | 0 | 0 | 0 | 0 | 109 | M546 I579 V596 F608 V617 L626 | M546-V615 HydrophobicContact CE-CG1 4.25Å; M546-V615 HydrophobicContact SD-CG1 3.85Å; M546-V615 HydrophobicContact SD-CG2 4.29Å; I579-V615 HydrophobicContact CD1-CB 4.44Å; I579-V615 HydrophobicContact CD1-CG2 3.91Å; V596-V615 HydrophobicContact CG1-CG2 4.21Å; F608-V615 HydrophobicContact CD2-CG2 3.92Å; F608-V615 HydrophobicContact CE2-CB 4.31Å; F608-V615 HydrophobicContact CE2-CG2 3.76Å; F608-V615 HydrophobicContact CZ-CG2 4.46Å; V615-V617 HydrophobicContact CG1-CG2 3.93Å; V615-L626 HydrophobicContact CB-CB 4.35Å; V615-L626 PolarHBondContact N-O 2.87Å; V615-L626 PolarHBondContact O-N 2.92Å |
| 616 | L | 93.2 | Very high | 89.9 | Confident | 2 Ų | 2 | 22.3 Ų | 22.3 | 1% | 0.01 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 129.6 | 176.5 | -66.6 | 176.5 | 0 | 0 | 0 | 109.3 | A594 Q595 F597 T614 L623 I624 M625 I652 I676 | A594-L616 CarbonylContact C-O 3.52Å; A594-L616 WeakPolarHBondContact CA-O 3.44Å; Q595-L616 PolarHBondContact N-O 3.23Å; Q595-L616 PolarHBondContact O-N 3.13Å; F597-L616 HydrophobicContact CB-CD1 4.29Å; T614-L616 HydrophobicContact CG2-CD2 4.2Å; T614-L616 HydrophobicContact CG2-CG 4.33Å; L616-L623 HydrophobicContact CB-CD1 4.03Å; L616-L623 HydrophobicContact CD2-CD1 4.3Å; L616-I624 WeakPolarHBondContact CA-O 3.35Å; L616-M625 HydrophobicContact CD2-CB 4.17Å; L616-M625 HydrophobicContact CD2-CG 4.04Å; L616-I652 HydrophobicContact CD2-CD1 3.5Å; L616-I652 VanDerWaalsContact CD2-CD1 3.5Å; L616-I676 HydrophobicContact CD1-CD1 3.88Å |
| 617 | V | 94.5 | Very high | 90.5 | Very high | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.012 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 122.2 | -179.6 | -169.3 | 0 | 0 | 0 | 0 | 109.6 | L581 V591 V615 I619 I624 L626 | L581-V617 HydrophobicContact CD1-CG1 4.24Å; L581-V617 HydrophobicContact CD1-CG2 4.18Å; V591-V617 HydrophobicContact CG1-CG1 3.64Å; V591-V617 HydrophobicContact CG2-CG1 4.5Å; V615-V617 HydrophobicContact CG1-CG2 3.93Å; V617-I619 HydrophobicContact CB-CG1 4.5Å; V617-I619 HydrophobicContact CG1-CD1 4.34Å; V617-I619 HydrophobicContact CG1-CG1 3.74Å; V617-I624 PolarHBondContact N-O 3.1Å; V617-I624 PolarHBondContact O-N 3.4Å; V617-L626 HydrophobicContact CG2-CD1 4Å |
| 618 | N | 94.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 106.2 | 170.8 | -175.6 | -2.5 | 0 | 0 | 0 | 109.4 | V591 V592 V593 G621 R622 V656 I659 | V591-N618 WeakPolarHBondContact CA-O 3.33Å; V592-N618 HydrophobicContact CB-CB 4.34Å; V592-N618 PolarHBondContact N-O 3.03Å; V593-N618 HydrophobicContact CB-CB 4.08Å; V593-N618 PolarHBondContact O-N 3.43Å; N618-G621 VanDerWaalsContact OD1-C 3.24Å; N618-G621 WeakPolarHBondContact OD1-CA 3.45Å; N618-G621 PolarHBondContact OD1-N 3.46Å; N618-R622 WeakPolarHBondContact CA-O 3.24Å; N618-R622 PolarHBondContact OD1-N 3.37Å; N618-V656 PolarHBondContact ND2-O 3.12Å; N618-I659 HydrophobicContact CB-CD1 4.08Å |
| 619 | I | 94.6 | Very high | 90.4 | Very high | 13 Ų | 13 | 21.4 Ų | 21.4 | 7% | 0.067 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 110.1 | 177.2 | -47.8 | 175.8 | 0 | 0 | 0 | 108.1 | L584 V585 V591 V617 G621 R622 I624 | L584-I619 HydrophobicContact CB-CD1 4.12Å; V585-I619 HydrophobicContact CG2-CD1 3.66Å; V585-I619 HydrophobicContact CG2-CG1 4.19Å; V585-I619 HydrophobicContact CG2-CG2 4.33Å; V591-I619 HydrophobicContact CG2-CG1 4.44Å; V617-I619 HydrophobicContact CB-CG1 4.5Å; V617-I619 HydrophobicContact CG1-CD1 4.34Å; V617-I619 HydrophobicContact CG1-CG1 3.74Å; I619-G621 PolarHBondContact O-N 3.22Å; I619-G621 VanDerWaalsContact O-N 3.1Å; I619-R622 PolarHBondContact N-O 3.24Å; I619-R622 WeakPolarHBondContact O-CB 3.34Å; I619-R622 PolarHBondContact O-N 2.87Å; I619-I624 HydrophobicContact CD1-CD1 3.93Å |
| 620 | A | 93.5 | Very high | 89.7 | Confident | 20 Ų | 20 | 24.2 Ų | 24.2 | 17% | 0.165 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 35.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | C590 | C590-A620 HydrophobicContact CB-CB 4.48Å; C590-A620 PolarHBondContact O-N 3.22Å |
| 621 | G | 93.8 | Very high | 88.7 | Confident | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91 | 2.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | N618 I619 S654 F655 V656 | N618-G621 VanDerWaalsContact OD1-C 3.24Å; N618-G621 WeakPolarHBondContact OD1-CA 3.45Å; N618-G621 PolarHBondContact OD1-N 3.46Å; I619-G621 PolarHBondContact O-N 3.22Å; I619-G621 VanDerWaalsContact O-N 3.1Å; G621-S654 CarbonylContact O-C 3.51Å; G621-S654 WeakPolarHBondContact O-CA 3.27Å; G621-F655 PolarHBondContact O-N 3Å; G621-V656 WeakPolarHBondContact CA-O 3.39Å; G621-V656 PolarHBondContact O-N 3.01Å |
| 622 | R | 94.8 | Very high | 87.6 | Confident | 83 Ų | 83 | 26.7 Ų | 26.7 | 31% | 0.313 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 114.3 | 172.6 | -63.5 | -169.9 | -167.2 | 143.2 | 9.8 | 109.9 | D285 N618 I619 I624 L651 | D285-R622 IonicContact OD2-CZ 2.83Å; D285-R622 IonicContact OD2-NH1 3.09Å; D285-R622 PolarHBondContact OD2-NH1 3.17Å; D285-R622 IonicContact OD2-NH2 3.8Å; D285-R622 PolarHBondContact OD2-NH2 3.3Å; N618-R622 WeakPolarHBondContact CA-O 3.24Å; N618-R622 PolarHBondContact OD1-N 3.37Å; I619-R622 PolarHBondContact N-O 3.24Å; I619-R622 WeakPolarHBondContact O-CB 3.34Å; I619-R622 PolarHBondContact O-N 2.87Å; R622-I624 PolarHBondContact O-N 2.93Å; R622-L651 HydrophobicContact CB-CD1 3.77Å; R622-L651 HydrophobicContact CG-CD1 4.32Å |
| 623 | L | 95.3 | Very high | 85.6 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 108.8 | 176.9 | 176.8 | 53.8 | 0 | 0 | 0 | 110.2 | L616 I652 A653 V656 I659 I678 | L616-L623 HydrophobicContact CB-CD1 4.03Å; L616-L623 HydrophobicContact CD2-CD1 4.3Å; L623-I652 HydrophobicContact CD2-CB 4.35Å; L623-I652 HydrophobicContact CD2-CG2 4.24Å; L623-I652 HydrophobicContact CG-CB 4.19Å; L623-I652 HydrophobicContact CG-CD1 4.35Å; L623-I652 PolarHBondContact O-N 3.05Å; L623-A653 HydrophobicContact CB-CB 4.46Å; L623-A653 PolarHBondContact N-O 3.18Å; L623-V656 HydrophobicContact CB-CG2 3.94Å; L623-I659 HydrophobicContact CD1-CD1 3.53Å; L623-I659 HydrophobicContact CD2-CD1 3.86Å; L623-I659 HydrophobicContact CD2-CG1 4.24Å; L623-I659 HydrophobicContact CG-CD1 4.18Å; L623-I678 HydrophobicContact CD2-CD1 3.83Å; L623-I678 HydrophobicContact CD2-CG1 4.22Å |
| 624 | I | 94.6 | Very high | 83.5 | Confident | 24 Ų | 24 | 43.8 Ų | 43.8 | 12% | 0.123 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 137.6 | 180 | -57.9 | -175.6 | 0 | 0 | 0 | 109.8 | L616 V617 I619 R622 L626 P649 L650 L651 | L616-I624 WeakPolarHBondContact CA-O 3.35Å; V617-I624 PolarHBondContact N-O 3.1Å; V617-I624 PolarHBondContact O-N 3.4Å; I619-I624 HydrophobicContact CD1-CD1 3.93Å; R622-I624 PolarHBondContact O-N 2.93Å; I624-L626 HydrophobicContact CG2-CD2 4.11Å; I624-P649 HydrophobicContact CG2-CB 3.58Å; I624-L650 CarbonylContact C-O 3.6Å; I624-L650 WeakPolarHBondContact CA-O 3.44Å; I624-L651 HydrophobicContact CG1-CD1 4.42Å |
| 625 | M | 93.6 | Very high | 81.5 | Confident | 20 Ų | 20 | 53.5 Ų | 53.5 | 10% | 0.099 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 134.8 | 171.4 | -165.2 | -179.6 | 73.1 | 0 | 0 | 110.5 | T614 L616 T627 L650 I652 W688 | T614-M625 HydrophobicContact CG2-CG 3.4Å; T614-M625 VanDerWaalsContact CG2-CG 3.4Å; T614-M625 HydrophobicContact CG2-SD 3.94Å; L616-M625 HydrophobicContact CD2-CB 4.17Å; L616-M625 HydrophobicContact CD2-CG 4.04Å; M625-T627 HydrophobicContact CE-CG2 3.99Å; M625-T627 HydrophobicContact CG-CG2 4.5Å; M625-T627 HydrophobicContact SD-CG2 4.5Å; M625-L650 HydrophobicContact CB-CB 4.27Å; M625-L650 HydrophobicContact CE-CB 4.3Å; M625-L650 HydrophobicContact CE-CD2 3.78Å; M625-L650 PolarHBondContact N-O 2.95Å; M625-L650 PolarHBondContact O-N 3.3Å; M625-I652 HydrophobicContact CB-CD1 3.71Å; M625-I652 HydrophobicContact CB-CG1 4.13Å; M625-I652 HydrophobicContact CG-CD1 4.25Å; M625-I652 HydrophobicContact SD-CD1 4.35Å; M625-W688 HydrophobicContact SD-CH2 3.66Å; M625-W688 HydrophobicContact SD-CZ3 4.32Å |
| 626 | L | 93.1 | Very high | 78.9 | Confident | 2 Ų | 2 | 59.4 Ų | 59.4 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 126.5 | 174.6 | -54.4 | 173.6 | 0 | 0 | 0 | 108.6 | I579 L581 L584 F608 V615 V617 I624 P649 | I579-L626 HydrophobicContact CG2-CD1 4.11Å; L581-L626 HydrophobicContact CD2-CD1 3.61Å; L584-L626 HydrophobicContact CD1-CD2 4.27Å; F608-L626 WeakPolarHBondContact CE2-O 3.24Å; V615-L626 HydrophobicContact CB-CB 4.35Å; V615-L626 PolarHBondContact N-O 2.87Å; V615-L626 PolarHBondContact O-N 2.92Å; V617-L626 HydrophobicContact CG2-CD1 4Å; I624-L626 HydrophobicContact CG2-CD2 4.11Å; L626-P649 HydrophobicContact CD2-CB 3.78Å; L626-P649 HydrophobicContact CD2-CG 3.88Å |
| 627 | T | 90.6 | Very high | 77 | Confident | 20 Ų | 20 | 62.2 Ų | 62.2 | 12% | 0.123 | 35% | 0.347 | C | S | . | . | trans | -124.3 | 147.3 | 174.5 | 50.7 | 0 | 0 | 0 | 0 | 109.9 | M625 L646 D647 | M625-T627 HydrophobicContact CE-CG2 3.99Å; M625-T627 HydrophobicContact CG-CG2 4.5Å; M625-T627 HydrophobicContact SD-CG2 4.5Å; T627-L646 WeakPolarHBondContact O-CA 3.16Å; T627-D647 PolarHBondContact O-N 2.81Å; T627-D647 PolarHBondContact OG1-OD2 2.92Å | ||
| 628 | P | 88 | Confident | 74.9 | Confident | 13 Ų | 13 | 66.2 Ų | 66.2 | 8% | 0.084 | 38% | 0.38 | C | S | . | . | B | Isolated β-bridge | trans | -79.1 | 138.1 | 174.7 | 32.8 | -30.7 | 0 | 0 | 0 | 109.5 | A606 F608 D613 A630 | A606-P628 VanDerWaalsContact C-CG 3.47Å; A606-P628 HydrophobicContact CB-CB 4.38Å; A606-P628 HydrophobicContact CB-CG 3.95Å; A606-P628 WeakPolarHBondContact O-CG 3.37Å; F608-P628 HydrophobicContact CD1-CB 4Å; F608-P628 HydrophobicContact CD1-CG 4.2Å; F608-P628 HydrophobicContact CD2-CG 4.39Å; F608-P628 HydrophobicContact CE1-CB 3.76Å; F608-P628 HydrophobicContact CE1-CG 4.14Å; F608-P628 HydrophobicContact CE2-CG 4.33Å; F608-P628 HydrophobicContact CG-CG 4.34Å; F608-P628 HydrophobicContact CZ-CB 4.19Å; F608-P628 HydrophobicContact CZ-CG 4.22Å; D613-P628 WeakPolarHBondContact O-CD 3.42Å; P628-A630 PolarHBondContact O-N 3Å |
| 629 | Q | 82.1 | Confident | 72.7 | Confident | 96 Ų | 96 | 75.1 Ų | 75.1 | 45% | 0.449 | 42% | 0.422 | S | S | . | . | trans | -70.1 | 133.5 | 177.7 | -174 | 169.3 | 64.4 | 0 | 0 | 110.6 | V631 H645 | Q629-V631 PolarHBondContact O-N 2.98Å; Q629-H645 HydrophobicContact CB-CB 4.42Å; Q629-H645 VanDerWaalsContact CB-O 3.32Å; Q629-H645 WeakPolarHBondContact CB-O 3.49Å; Q629-H645 PolarHBondContact N-O 3.38Å | ||
| 630 | A | 69.8 | Low | 70.4 | Confident | 70 Ų | 70 | 79.1 Ų | 79.1 | 58% | 0.579 | 44% | 0.44 | S | S | * | . | trans | -66.4 | 115.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | A606 P628 G632 | A606-A630 HydrophobicContact CB-CB 4.22Å; P628-A630 PolarHBondContact O-N 3Å; A630-G632 PolarHBondContact O-N 3.49Å | ||
| 631 | V | 61.7 | Low | 68.2 | Low | 133 Ų | 133 | 85.6 Ų | 85.6 | 81% | 0.806 | 47% | 0.469 | S | S | * | . | trans | -67.3 | 94.8 | 178.3 | -176.1 | 0 | 0 | 0 | 0 | 109.7 | Q629 | Q629-V631 PolarHBondContact O-N 2.98Š| ||
| 632 | G | 57.2 | Low | 66.1 | Low | 57 Ų | 57 | 93.1 Ų | 93.1 | 59% | 0.588 | 51% | 0.509 | S | S | * | . | trans | -60.8 | 141.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | A630 R634 | A630-G632 PolarHBondContact O-N 3.49Å; G632-R634 PolarHBondContact O-N 3.27Å | ||
| 633 | S | 44.3 | Very low | 64.4 | Low | 130 Ų | 130 | 92.6 Ų | 92.6 | 91% | 0.909 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -68.9 | 49.4 | -173.6 | -178.4 | 0 | 0 | 0 | 0 | 114.9 | ||
| 634 | R | 42.8 | Very low | 63 | Low | 234 Ų | 234 | 96.4 Ų | 96.4 | 88% | 0.883 | 55% | 0.55 | S | S | * | . | trans | -150.3 | 72.5 | 178.8 | -68.9 | -170.2 | 179.9 | -179.3 | 0.4 | 112.4 | G632 | G632-R634 PolarHBondContact O-N 3.27Š| ||
| 635 | R | 46.6 | Very low | 62.2 | Low | 203 Ų | 203 | 100.9 Ų | 100.9 | 77% | 0.766 | 57% | 0.57 | S | S | * | * | trans | -161.4 | 141 | 148.3 | -106 | 161 | -151.8 | -166.6 | 5.3 | 109.9 | E640 | R635-E640 WeakPolarHBondContact CD-OE2 3.27Š| ||
| 636 | S | 38.5 | Very low | 61.8 | Low | 124 Ų | 124 | 103 Ų | 103 | 87% | 0.867 | 58% | 0.581 | S | S | * | * | trans | -135.9 | 84.3 | -171.7 | 57.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 637 | S | 52.4 | Low | 61.4 | Low | 61 Ų | 61 | 105.8 Ų | 105.8 | 43% | 0.427 | 60% | 0.596 | S | S | . | * | trans | -149.6 | 138.4 | 165 | 55.6 | 0 | 0 | 0 | 0 | 107.6 | E639 | S637-E639 PolarHBondContact O-N 3.4Š| ||
| 638 | A | 51.7 | Low | 61.2 | Low | 87 Ų | 87 | 109.2 Ų | 109.2 | 72% | 0.719 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -73.7 | -13.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 639 | E | 48.1 | Very low | 61.3 | Low | 187 Ų | 187 | 111.5 Ų | 111.5 | 87% | 0.874 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -91.5 | -25.7 | -174.9 | -63.8 | -179.7 | 150.6 | 0 | 0 | 113.4 | S637 M641 | S637-E639 PolarHBondContact O-N 3.4Å; E639-M641 PolarHBondContact O-N 3.46Å |
| 640 | E | 46.4 | Very low | 61.8 | Low | 96 Ų | 96 | 110 Ų | 110 | 45% | 0.449 | 64% | 0.636 | S | S | . | * | G | 310 helix | trans | -75.9 | -10.6 | 175.8 | -70.2 | -174.5 | 174.1 | 0 | 0 | 113.1 | R635 N642 S643 | R635-E640 WeakPolarHBondContact CD-OE2 3.27Å; E640-N642 PolarHBondContact O-N 2.91Å; E640-N642 VanDerWaalsContact O-N 3.11Å; E640-S643 PolarHBondContact O-N 3.41Å; E640-S643 PolarHBondContact O-OG 2.79Å |
| 641 | M | 46.5 | Very low | 63 | Low | 156 Ų | 156 | 110.4 Ų | 110.4 | 77% | 0.768 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -70.9 | -10.3 | -167.6 | -163.5 | 154.3 | 62.5 | 0 | 0 | 114.8 | E639 | E639-M641 PolarHBondContact O-N 3.46Š|
| 642 | N | 50.7 | Low | 64.4 | Low | 160 Ų | 160 | 105.3 Ų | 105.3 | 86% | 0.856 | 60% | 0.596 | S | S | * | * | G | 310 helix | trans | -101 | -7.2 | -179.5 | -71.3 | -22.3 | 0 | 0 | 0 | 114.4 | E640 | E640-N642 PolarHBondContact O-N 2.91Å; E640-N642 VanDerWaalsContact O-N 3.11Å |
| 643 | S | 58.6 | Low | 66.2 | Low | 71 Ų | 71 | 103.1 Ų | 103.1 | 50% | 0.497 | 57% | 0.573 | S | S | . | * | trans | -113 | 88.5 | -179.3 | 56.6 | 0 | 0 | 0 | 0 | 111.4 | E640 H645 | E640-S643 PolarHBondContact O-N 3.41Å; E640-S643 PolarHBondContact O-OG 2.79Å; S643-H645 PolarHBondContact O-N 3.33Å | ||
| 644 | A | 66.7 | Low | 68.6 | Low | 81 Ų | 81 | 98.8 Ų | 98.8 | 67% | 0.669 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -69.1 | 126.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 645 | H | 77.6 | Confident | 71.1 | Confident | 117 Ų | 117 | 89.2 Ų | 89.2 | 54% | 0.542 | 51% | 0.507 | S | S | . | . | P | Polyproline II helix | trans | -76.6 | 148.4 | 173.7 | -66.3 | -65.2 | 0 | 0 | 0 | 111.1 | Q629 S643 | Q629-H645 HydrophobicContact CB-CB 4.42Å; Q629-H645 VanDerWaalsContact CB-O 3.32Å; Q629-H645 WeakPolarHBondContact CB-O 3.49Å; Q629-H645 PolarHBondContact N-O 3.38Å; S643-H645 PolarHBondContact O-N 3.33Å |
| 646 | L | 84.4 | Confident | 73.4 | Confident | 65 Ų | 65 | 79.5 Ų | 79.5 | 34% | 0.34 | 47% | 0.47 | S | S | . | . | B | Isolated β-bridge | trans | -87.1 | 151.7 | 167.6 | -65.4 | 171.4 | 0 | 0 | 0 | 109.7 | I579 F608 T627 | I579-L646 HydrophobicContact CG2-CD1 4.12Å; F608-L646 HydrophobicContact CE1-CD2 3.47Å; F608-L646 VanDerWaalsContact CE1-CD2 3.47Å; F608-L646 HydrophobicContact CZ-CD2 3.64Å; T627-L646 WeakPolarHBondContact O-CA 3.16Å |
| 647 | D | 84.7 | Confident | 75.9 | Confident | 60 Ų | 60 | 73.9 Ų | 73.9 | 32% | 0.321 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 166.6 | 161.6 | -63.2 | -49.2 | 0 | 0 | 0 | 110.7 | T627 | T627-D647 PolarHBondContact O-N 2.81Å; T627-D647 PolarHBondContact OG1-OD2 2.92Å |
| 648 | A | 86.9 | Confident | 77.7 | Confident | 92 Ų | 92 | 73.8 Ų | 73.8 | 76% | 0.76 | 43% | 0.425 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 127.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | L650 | A648-L650 PolarHBondContact O-N 2.89Š|
| 649 | P | 90.6 | Very high | 79.5 | Confident | 61 Ų | 61 | 70 Ų | 70 | 40% | 0.396 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 128.7 | -177.6 | -25.3 | 33.9 | 0 | 0 | 0 | 112.5 | L584 I624 L626 | L584-P649 HydrophobicContact CD1-CB 4.46Å; L584-P649 HydrophobicContact CD1-CG 3.96Å; L584-P649 HydrophobicContact CD2-CG 4.17Å; I624-P649 HydrophobicContact CG2-CB 3.58Å; L626-P649 HydrophobicContact CD2-CB 3.78Å; L626-P649 HydrophobicContact CD2-CG 3.88Å |
| 650 | L | 92.2 | Very high | 81.4 | Confident | 65 Ų | 65 | 62.4 Ų | 62.4 | 34% | 0.34 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 120.5 | -177.4 | 179.6 | 69 | 0 | 0 | 0 | 111.1 | I624 M625 A648 I652 Y951 | I624-L650 CarbonylContact C-O 3.6Å; I624-L650 WeakPolarHBondContact CA-O 3.44Å; M625-L650 HydrophobicContact CB-CB 4.27Å; M625-L650 HydrophobicContact CE-CB 4.3Å; M625-L650 HydrophobicContact CE-CD2 3.78Å; M625-L650 PolarHBondContact N-O 2.95Å; M625-L650 PolarHBondContact O-N 3.3Å; A648-L650 PolarHBondContact O-N 2.89Å; L650-I652 PolarHBondContact O-N 3.14Å; L650-Y951 HydrophobicContact CD1-CE1 4.34Å |
| 651 | L | 93.5 | Very high | 83.1 | Confident | 79 Ų | 79 | 57.9 Ų | 57.9 | 41% | 0.414 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 113.4 | 169.5 | -178.6 | 65.9 | 0 | 0 | 0 | 110 | R622 I624 A653 | R622-L651 HydrophobicContact CB-CD1 3.77Å; R622-L651 HydrophobicContact CG-CD1 4.32Å; I624-L651 HydrophobicContact CG1-CD1 4.42Å; L651-A653 WeakPolarHBondContact CD1-O 3.27Å |
| 652 | I | 93.1 | Very high | 84.4 | Confident | 25 Ų | 25 | 50.9 Ų | 50.9 | 13% | 0.128 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | -48.2 | 176.3 | -68.5 | 166.8 | 0 | 0 | 0 | 110.7 | L616 L623 M625 L650 I678 W688 M713 | L616-I652 HydrophobicContact CD2-CD1 3.5Å; L616-I652 VanDerWaalsContact CD2-CD1 3.5Å; L623-I652 HydrophobicContact CD2-CB 4.35Å; L623-I652 HydrophobicContact CD2-CG2 4.24Å; L623-I652 HydrophobicContact CG-CB 4.19Å; L623-I652 HydrophobicContact CG-CD1 4.35Å; L623-I652 PolarHBondContact O-N 3.05Å; M625-I652 HydrophobicContact CB-CD1 3.71Å; M625-I652 HydrophobicContact CB-CG1 4.13Å; M625-I652 HydrophobicContact CG-CD1 4.25Å; M625-I652 HydrophobicContact SD-CD1 4.35Å; L650-I652 PolarHBondContact O-N 3.14Å; I652-I678 HydrophobicContact CG2-CD1 4.03Å; I652-W688 HydrophobicContact CD1-CE3 3.84Å; I652-W688 HydrophobicContact CD1-CH2 3.93Å; I652-W688 HydrophobicContact CD1-CZ3 3.47Å; I652-W688 VanDerWaalsContact CD1-CZ3 3.47Å; I652-W688 HydrophobicContact CG1-CE3 4.49Å; I652-W688 HydrophobicContact CG1-CH2 4.43Å; I652-W688 HydrophobicContact CG1-CZ3 4.31Å; I652-W688 HydrophobicContact CG2-CD2 4.18Å; I652-W688 HydrophobicContact CG2-CE3 4.22Å; I652-W688 HydrophobicContact CG2-CG 4.4Å; I652-M713 HydrophobicContact CG2-CE 3.45Å; I652-M713 VanDerWaalsContact CG2-CE 3.45Å |
| 653 | A | 94.4 | Very high | 85 | Confident | 12 Ų | 12 | 46.2 Ų | 46.2 | 10% | 0.099 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 156.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L623 L651 V656 I678 | L623-A653 HydrophobicContact CB-CB 4.46Å; L623-A653 PolarHBondContact N-O 3.18Å; L651-A653 WeakPolarHBondContact CD1-O 3.27Å; A653-V656 HydrophobicContact CB-CG2 3.73Å; A653-I678 HydrophobicContact CB-CD1 3.92Å; A653-I678 HydrophobicContact CB-CG2 4.16Å |
| 654 | S | 94.1 | Very high | 85.2 | Confident | 38 Ų | 38 | 45.6 Ų | 45.6 | 27% | 0.266 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 158.3 | 177.3 | -64.3 | 0 | 0 | 0 | 0 | 110.6 | G621 V656 | G621-S654 CarbonylContact O-C 3.51Å; G621-S654 WeakPolarHBondContact O-CA 3.27Å; S654-V656 VanDerWaalsContact C-N 3.3Å |
| 655 | F | 94.8 | Very high | 85.1 | Confident | 33 Ų | 33 | 48.4 Ų | 48.4 | 15% | 0.145 | 27% | 0.273 | C | S | . | . | S | Bend | trans | 62.6 | 35.4 | -176.9 | -44.4 | -73.2 | 0 | 0 | 0 | 113 | H282 T293 F340 G621 S680 R683 | H282-F655 AromaticContact CE1-CE1 3.88Å; H282-F655 AromaticContact CE1-CZ 3.89Å; T293-F655 HydrophobicContact CG2-CD1 3.59Å; T293-F655 HydrophobicContact CG2-CE1 3.66Å; F340-F655 HydrophobicContact CB-CB 4.2Å; F340-F655 HydrophobicContact CD1-CB 3.87Å; F340-F655 AromaticContact CD1-CD1 3.8Å; F340-F655 HydrophobicContact CD1-CD1 3.8Å; F340-F655 HydrophobicContact CD1-CG 4.32Å; F340-F655 HydrophobicContact CD2-CB 4.03Å; F340-F655 WeakPolarHBondContact CD2-O 3.37Å; F340-F655 HydrophobicContact CE1-CB 4.22Å; F340-F655 AromaticContact CE1-CD1 3.74Å; F340-F655 HydrophobicContact CE1-CD1 3.74Å; F340-F655 HydrophobicContact CE1-CG 4.49Å; F340-F655 HydrophobicContact CE2-CB 4.4Å; F340-F655 HydrophobicContact CG-CB 3.76Å; F340-F655 HydrophobicContact CZ-CB 4.48Å; F340-F655 HydrophobicContact CZ-CD1 4.47Å; G621-F655 PolarHBondContact O-N 3Å; F655-S680 CarbonylContact O-C 3.49Å; F655-S680 WeakPolarHBondContact O-CA 3.45Å; F655-S680 WeakPolarHBondContact O-CB 3.38Å; F655-R683 VanDerWaalsContact CE2-NH1 3.33Å |
| 656 | V | 94.8 | Very high | 84.8 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | trans | -82.1 | 118.4 | -177.6 | -178.3 | 0 | 0 | 0 | 0 | 111.3 | N618 G621 L623 A653 S654 I659 I678 | N618-V656 PolarHBondContact ND2-O 3.12Å; G621-V656 WeakPolarHBondContact CA-O 3.39Å; G621-V656 PolarHBondContact O-N 3.01Å; L623-V656 HydrophobicContact CB-CG2 3.94Å; A653-V656 HydrophobicContact CB-CG2 3.73Å; S654-V656 VanDerWaalsContact C-N 3.3Å; V656-I659 HydrophobicContact CG1-CD1 4.02Å; V656-I659 HydrophobicContact CG1-CG1 3.54Å; V656-I678 HydrophobicContact CB-CG2 4.12Å; V656-I678 HydrophobicContact CG1-CG2 3.67Å; V656-I678 HydrophobicContact CG2-CG2 3.48Å; V656-I678 VanDerWaalsContact CG2-CG2 3.48Å | ||
| 657 | E | 91.9 | Very high | 84.2 | Confident | 5 Ų | 5 | 47.3 Ų | 47.3 | 2% | 0.023 | 28% | 0.28 | C | S | . | . | trans | -84 | -60.9 | 172.4 | -56.9 | -174.9 | 146.7 | 0 | 0 | 109.6 | S338 V339 F340 N679 G681 Y722 | S338-E657 WeakPolarHBondContact CB-OE1 3.04Å; S338-E657 PolarHBondContact OG-OE1 3.18Å; S338-E657 PolarHBondContact OG-OE2 3.09Å; V339-E657 HydrophobicContact CB-CG 4.34Å; V339-E657 PolarHBondContact N-OE1 3.01Å; F340-E657 HydrophobicContact CB-CG 4.27Å; F340-E657 HydrophobicContact CD2-CG 3.56Å; F340-E657 HydrophobicContact CE2-CG 4.42Å; F340-E657 HydrophobicContact CG-CG 4.36Å; F340-E657 PolarHBondContact N-OE1 3.45Å; E657-N679 PolarHBondContact N-O 3.38Å; E657-N679 PolarHBondContact OE2-ND2 2.87Å; E657-G681 WeakPolarHBondContact OE2-CA 3.45Å; E657-Y722 WeakPolarHBondContact OE2-CE2 3.29Å; E657-Y722 PolarHBondContact OE2-OH 2.91Å | ||
| 658 | D | 89.6 | Confident | 84 | Confident | 59 Ų | 59 | 49.8 Ų | 49.8 | 32% | 0.316 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 153.5 | -172.8 | -52.3 | -70.8 | 0 | 0 | 0 | 111 | W660 N679 Y722 | D658-W660 HydrophobicContact CB-CH2 3.47Å; D658-W660 VanDerWaalsContact CB-CH2 3.47Å; D658-W660 HydrophobicContact CB-CZ2 3.7Å; D658-W660 HydrophobicContact CB-CZ3 3.96Å; D658-N679 HydrophobicContact CB-CB 4.14Å; D658-N679 PolarHBondContact O-N 2.89Å; D658-N679 PolarHBondContact OD2-ND2 3.15Å; D658-Y722 PolarHBondContact OD2-OH 3.18Å; D658-Y722 VanDerWaalsContact OD2-OH 3.05Å |
| 659 | I | 90.4 | Very high | 83.9 | Confident | 7 Ų | 7 | 45.8 Ų | 45.8 | 4% | 0.036 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 127.5 | -179 | -59.7 | 165.9 | 0 | 0 | 0 | 109.1 | L391 N618 L623 V656 I676 W677 | L391-I659 HydrophobicContact CD1-CG2 4.22Å; L391-I659 WeakPolarHBondContact CD1-O 3.48Å; L391-I659 WeakPolarHBondContact CD2-O 3.4Å; L391-I659 WeakPolarHBondContact CG-O 3.4Å; N618-I659 HydrophobicContact CB-CD1 4.08Å; L623-I659 HydrophobicContact CD1-CD1 3.53Å; L623-I659 HydrophobicContact CD2-CD1 3.86Å; L623-I659 HydrophobicContact CD2-CG1 4.24Å; L623-I659 HydrophobicContact CG-CD1 4.18Å; V656-I659 HydrophobicContact CG1-CD1 4.02Å; V656-I659 HydrophobicContact CG1-CG1 3.54Å; I659-I676 HydrophobicContact CG2-CG2 4.06Å; I659-W677 CarbonylContact C-O 3.47Å; I659-W677 WeakPolarHBondContact CA-O 3.36Å |
| 660 | W | 87.5 | Confident | 83.4 | Confident | 29 Ų | 29 | 44.2 Ų | 44.2 | 11% | 0.11 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 133.4 | 164.3 | 6.5 | -135.8 | 0 | 0 | 0 | 116.6 | L391 M393 D658 I676 W677 N679 P723 V726 | L391-W660 HydrophobicContact CB-CB 4.26Å; L391-W660 VanDerWaalsContact CD1-C 3.49Å; L391-W660 HydrophobicContact CD1-CB 4.34Å; L391-W660 HydrophobicContact CD2-CB 3.62Å; L391-W660 HydrophobicContact CD2-CG 3.65Å; L391-W660 HydrophobicContact CG-CB 4.17Å; M393-W660 HydrophobicContact CE-CB 4.13Å; M393-W660 HydrophobicContact CG-CB 3.9Å; M393-W660 HydrophobicContact SD-CB 3.92Å; D658-W660 HydrophobicContact CB-CH2 3.47Å; D658-W660 VanDerWaalsContact CB-CH2 3.47Å; D658-W660 HydrophobicContact CB-CZ2 3.7Å; D658-W660 HydrophobicContact CB-CZ3 3.96Å; W660-I676 CarbonylContact O-C 3.59Å; W660-I676 WeakPolarHBondContact O-CA 3.47Å; W660-I676 WeakPolarHBondContact O-CG2 3.4Å; W660-W677 WeakPolarHBondContact CA-O 3.49Å; W660-W677 HydrophobicContact CB-CB 4.35Å; W660-W677 HydrophobicContact CE3-CB 4.09Å; W660-W677 PolarHBondContact N-O 2.89Å; W660-W677 PolarHBondContact O-N 3.31Å; W660-N679 HydrophobicContact CH2-CB 3.59Å; W660-N679 HydrophobicContact CZ3-CB 3.53Å; W660-P723 HydrophobicContact CH2-CB 4.27Å; W660-P723 HydrophobicContact CH2-CG 4.14Å; W660-V726 HydrophobicContact CB-CG2 4.43Å; W660-V726 HydrophobicContact CD2-CG2 3.45Å; W660-V726 VanDerWaalsContact CD2-CG2 3.45Å; W660-V726 HydrophobicContact CE3-CG2 3.65Å; W660-V726 HydrophobicContact CG-CB 4.43Å; W660-V726 HydrophobicContact CG-CG2 3.8Å; W660-V726 HydrophobicContact CH2-CG2 4.36Å; W660-V726 HydrophobicContact CZ2-CG2 4.21Å; W660-V726 HydrophobicContact CZ3-CG2 4.1Å |
| 661 | C | 83.2 | Confident | 83.1 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.3 | 101.6 | -179.1 | -63.8 | 0 | 0 | 0 | 0 | 110.6 | L391 R541 F597 I676 | L391-C661 CarbonylContact C-O 3.55Å; L391-C661 HydrophobicContact CB-CB 3.93Å; L391-C661 VanDerWaalsContact CB-N 3.27Å; L391-C661 WeakPolarHBondContact CB-O 3.26Å; L391-C661 HydrophobicContact CD1-CB 3.44Å; L391-C661 VanDerWaalsContact CD1-CB 3.44Å; L391-C661 VanDerWaalsContact CD1-N 3.28Å; L391-C661 VanDerWaalsContact CD1-SG 3.54Å; L391-C661 HydrophobicContact CG-CB 4.27Å; L391-C661 CarbonylContact O-C 3.57Å; R541-C661 PolarHBondContact NH2-O 2.98Å; F597-C661 HydrophobicContact CD2-CB 4.29Å; F597-C661 HydrophobicContact CE2-CB 4.3Å; C661-I676 HydrophobicContact CB-CG1 4.45Å |
| 662 | G | 72.2 | Confident | 82.9 | Confident | 10 Ų | 10 | 37.8 Ų | 37.8 | 10% | 0.103 | 22% | 0.215 | C | C | . | . | trans | -52.6 | 144.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | R541 S673 | R541-G662 PolarHBondContact NH2-O 2.86Å; G662-S673 WeakPolarHBondContact CA-O 3.41Å | ||
| 663 | V | 63.2 | Low | 82.4 | Confident | 62 Ų | 62 | 36.7 Ų | 36.7 | 38% | 0.376 | 21% | 0.209 | S | C | . | . | trans | -98.3 | -33.7 | 178.8 | 177.4 | 0 | 0 | 0 | 0 | 112 | A392 | A392-V663 HydrophobicContact CB-CG2 4.27Š| ||
| 664 | S | 63 | Low | 81.9 | Confident | 57 Ų | 57 | 37.5 Ų | 37.5 | 40% | 0.399 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -96.5 | 143.6 | -176.1 | 136.7 | 0 | 0 | 0 | 0 | 111.6 | E394 N666 | E394-S664 WeakPolarHBondContact OE2-CB 3.45Å; E394-S664 PolarHBondContact OE2-OG 3.24Å; S664-N666 PolarHBondContact O-N 3.41Å |
| 665 | K | 65.2 | Low | 81.6 | Confident | 141 Ų | 141 | 35.7 Ų | 35.7 | 61% | 0.613 | 20% | 0.198 | S | C | * | . | trans | -91.7 | 78.7 | 178.1 | -64.3 | -175.6 | -177.2 | -179.4 | 0 | 109.7 | S667 | K665-S667 PolarHBondContact O-N 3.19Å; K665-S667 VanDerWaalsContact O-N 3.14Å | ||
| 666 | N | 71.3 | Confident | 81.4 | Confident | 43 Ų | 43 | 34.1 Ų | 34.1 | 23% | 0.23 | 19% | 0.191 | C | C | . | . | trans | -69.4 | 106.9 | 170.4 | -170.9 | -34.3 | 0 | 0 | 0 | 109.8 | S664 L668 K669 S670 S673 L729 | S664-N666 PolarHBondContact O-N 3.41Å; N666-L668 VanDerWaalsContact C-N 3.27Å; N666-L668 PolarHBondContact O-N 2.66Å; N666-L668 WeakPolarHBondContact OD1-CB 3.07Å; N666-L668 PolarHBondContact OD1-N 3.49Å; N666-K669 CarbonylContact O-C 3.33Å; N666-K669 PolarHBondContact O-N 3.39Å; N666-K669 PolarHBondContact OD1-N 3.19Å; N666-K669 VanDerWaalsContact OD1-N 3.17Å; N666-S670 VanDerWaalsContact O-CA 3.26Å; N666-S670 WeakPolarHBondContact O-CA 3.32Å; N666-S670 PolarHBondContact O-N 3.43Å; N666-S670 VanDerWaalsContact O-N 3.13Å; N666-S673 PolarHBondContact O-OG 3.3Å; N666-L729 HydrophobicContact CB-CD1 4.28Å; N666-L729 HydrophobicContact CB-CD2 4.03Å; N666-L729 VanDerWaalsContact ND2-CD1 3.32Å; N666-L729 WeakPolarHBondContact ND2-CD1 3.45Å | ||
| 667 | S | 72 | Confident | 81.3 | Confident | 115 Ų | 115 | 34.1 Ų | 34.1 | 80% | 0.804 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -66.4 | -26.7 | -179.2 | 55.7 | 0 | 0 | 0 | 0 | 113.8 | K665 | K665-S667 PolarHBondContact O-N 3.19Å; K665-S667 VanDerWaalsContact O-N 3.14Å |
| 668 | L | 79.6 | Confident | 81.4 | Confident | 113 Ų | 113 | 33.9 Ų | 33.9 | 59% | 0.592 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -41.3 | 179.8 | -165 | 83.3 | 0 | 0 | 0 | 111.7 | N666 T777 | N666-L668 VanDerWaalsContact C-N 3.27Å; N666-L668 PolarHBondContact O-N 2.66Å; N666-L668 WeakPolarHBondContact OD1-CB 3.07Å; N666-L668 PolarHBondContact OD1-N 3.49Å; L668-T777 WeakPolarHBondContact O-CG2 3.3Å |
| 669 | K | 84.4 | Confident | 81.5 | Confident | 8 Ų | 8 | 31.1 Ų | 31.1 | 4% | 0.035 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.1 | 39.7 | -177.1 | -73.1 | 176.2 | 176 | 173.3 | 0 | 111.2 | N666 H671 L672 S673 L729 T777 D780 | N666-K669 CarbonylContact O-C 3.33Å; N666-K669 PolarHBondContact O-N 3.39Å; N666-K669 PolarHBondContact OD1-N 3.19Å; N666-K669 VanDerWaalsContact OD1-N 3.17Å; K669-H671 VanDerWaalsContact C-N 3.27Å; K669-H671 PolarHBondContact O-N 2.95Å; K669-H671 VanDerWaalsContact O-N 3.17Å; K669-L672 PolarHBondContact O-N 3Å; K669-S673 PolarHBondContact O-N 2.86Å; K669-L729 HydrophobicContact CB-CD2 3.6Å; K669-L729 HydrophobicContact CD-CB 4.31Å; K669-L729 HydrophobicContact CD-CD2 4.05Å; K669-L729 HydrophobicContact CG-CD2 4.43Å; K669-L729 PolarHBondContact NZ-O 3.25Å; K669-T777 WeakPolarHBondContact CE-O 3.27Å; K669-D780 WeakPolarHBondContact CE-OD1 3.43Å; K669-D780 IonicContact NZ-OD1 2.99Å; K669-D780 PolarHBondContact NZ-OD1 3.29Å; K669-D780 IonicContact NZ-OD2 2.97Å; K669-D780 PolarHBondContact NZ-OD2 2.86Å |
| 670 | S | 80.3 | Confident | 81.7 | Confident | 27 Ų | 27 | 30.8 Ų | 30.8 | 19% | 0.189 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -54.5 | -37.1 | -170.2 | 60.6 | 0 | 0 | 0 | 0 | 114.3 | N666 L672 S673 H674 | N666-S670 VanDerWaalsContact O-CA 3.26Å; N666-S670 WeakPolarHBondContact O-CA 3.32Å; N666-S670 PolarHBondContact O-N 3.43Å; N666-S670 VanDerWaalsContact O-N 3.13Å; S670-L672 VanDerWaalsContact C-N 3.32Å; S670-L672 PolarHBondContact O-N 3.37Å; S670-S673 WeakPolarHBondContact CA-OG 3.23Å; S670-S673 PolarHBondContact O-OG 2.71Å; S670-H674 WeakPolarHBondContact O-CB 3.34Å; S670-H674 PolarHBondContact O-CD2 3.41Å; S670-H674 PolarHBondContact O-N 3.37Å |
| 671 | H | 87.2 | Confident | 81.9 | Confident | 7 Ų | 7 | 29.6 Ų | 29.6 | 3% | 0.032 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -56.9 | -40.6 | 173.2 | -70.2 | -68.2 | 0 | 0 | 0 | 113.8 | K669 M689 P690 I692 Y770 I774 | K669-H671 VanDerWaalsContact C-N 3.27Å; K669-H671 PolarHBondContact O-N 2.95Å; K669-H671 VanDerWaalsContact O-N 3.17Å; H671-M689 HydrophobicContact CB-CE 3.73Å; H671-P690 PolarHBondContact ND1-O 3.18Å; H671-I692 PolarHBondContact CE1-N 3.21Å; H671-I692 VanDerWaalsContact CE1-N 3.3Å; H671-I692 PolarHBondContact CE1-O 2.82Å; H671-Y770 AromaticContact CE1-CD1 3.96Å; H671-I774 HydrophobicContact CB-CD1 4.17Å; H671-I774 HydrophobicContact CB-CG1 3.92Å |
| 672 | L | 88.2 | Confident | 82.2 | Confident | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -92 | -31.1 | -174.4 | -64.3 | 175.5 | 0 | 0 | 0 | 112.3 | K669 S670 A675 W677 I758 I774 | K669-L672 PolarHBondContact O-N 3Å; S670-L672 VanDerWaalsContact C-N 3.32Å; S670-L672 PolarHBondContact O-N 3.37Å; L672-A675 WeakPolarHBondContact O-CB 3.37Å; L672-A675 PolarHBondContact O-N 2.92Å; L672-W677 HydrophobicContact CD2-CH2 4.39Å; L672-W677 HydrophobicContact CD2-CZ2 4.21Å; L672-I758 HydrophobicContact CD2-CD1 4.02Å; L672-I774 HydrophobicContact CD1-CG2 4.29Å; L672-I774 HydrophobicContact CG-CG2 4.47Å |
| 673 | S | 83.6 | Confident | 83.1 | Confident | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.014 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -71.1 | -34.2 | 177.4 | 65.8 | 0 | 0 | 0 | 0 | 112.4 | E394 G662 N666 K669 S670 A675 | E394-S673 WeakPolarHBondContact OE1-CB 3.25Å; G662-S673 WeakPolarHBondContact CA-O 3.41Å; N666-S673 PolarHBondContact O-OG 3.3Å; K669-S673 PolarHBondContact O-N 2.86Å; S670-S673 WeakPolarHBondContact CA-OG 3.23Å; S670-S673 PolarHBondContact O-OG 2.71Å; S673-A675 VanDerWaalsContact C-N 3.33Å |
| 674 | H | 82.5 | Confident | 84.5 | Confident | 29 Ų | 29 | 36 Ų | 36 | 13% | 0.134 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 0.5 | 174.3 | -73.9 | -96.2 | 0 | 0 | 0 | 114 | S670 P690 W711 | S670-H674 WeakPolarHBondContact O-CB 3.34Å; S670-H674 PolarHBondContact O-CD2 3.41Å; S670-H674 PolarHBondContact O-N 3.37Å; H674-P690 HydrophobicContact CB-CG 3.58Å; H674-W711 WeakPolarHBondContact O-CH2 3.43Å |
| 675 | A | 88.8 | Confident | 85.9 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -74.6 | 141.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L672 S673 W677 V687 M689 | L672-A675 WeakPolarHBondContact O-CB 3.37Å; L672-A675 PolarHBondContact O-N 2.92Å; S673-A675 VanDerWaalsContact C-N 3.33Å; A675-W677 HydrophobicContact CB-CZ2 4.11Å; A675-W677 PolarHBondContact O-NE1 3.4Å; A675-V687 HydrophobicContact CB-CG1 4.01Å; A675-M689 HydrophobicContact CB-CB 3.64Å | ||
| 676 | I | 90.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 126.9 | 170.6 | -64.3 | 167.5 | 0 | 0 | 0 | 107.7 | F597 L616 I659 W660 C661 I678 V687 W688 W711 | F597-I676 HydrophobicContact CD1-CD1 4.08Å; F597-I676 HydrophobicContact CD2-CD1 4.31Å; F597-I676 HydrophobicContact CE1-CD1 3.73Å; F597-I676 HydrophobicContact CE1-CG1 4.45Å; F597-I676 HydrophobicContact CE2-CD1 4.01Å; F597-I676 HydrophobicContact CE2-CG1 3.98Å; F597-I676 HydrophobicContact CG-CD1 4.36Å; F597-I676 HydrophobicContact CZ-CD1 3.71Å; F597-I676 HydrophobicContact CZ-CG1 3.92Å; L616-I676 HydrophobicContact CD1-CD1 3.88Å; I659-I676 HydrophobicContact CG2-CG2 4.06Å; W660-I676 CarbonylContact O-C 3.59Å; W660-I676 WeakPolarHBondContact O-CA 3.47Å; W660-I676 WeakPolarHBondContact O-CG2 3.4Å; C661-I676 HydrophobicContact CB-CG1 4.45Å; I676-I678 HydrophobicContact CG2-CD1 4.48Å; I676-I678 HydrophobicContact CG2-CG1 4.16Å; I676-V687 CarbonylContact O-C 3.52Å; I676-V687 WeakPolarHBondContact O-CA 3.12Å; I676-W688 HydrophobicContact CB-CB 4.32Å; I676-W688 HydrophobicContact CB-CE3 4.25Å; I676-W688 HydrophobicContact CD1-CE3 3.47Å; I676-W688 VanDerWaalsContact CD1-CE3 3.47Å; I676-W688 HydrophobicContact CD1-CZ3 3.59Å; I676-W688 HydrophobicContact CG1-CE3 4.39Å; I676-W688 PolarHBondContact N-O 3.03Å; I676-W688 PolarHBondContact O-N 3.11Å; I676-W711 HydrophobicContact CD1-CZ3 4.16Å; I676-W711 HydrophobicContact CG1-CZ3 4.48Å |
| 677 | W | 92.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 142.4 | -176.9 | -49.4 | 63.1 | 0 | 0 | 0 | 108 | M393 I659 W660 L672 A675 H686 V687 F716 V726 F733 F754 I758 | M393-W677 HydrophobicContact CE-CB 4.47Å; M393-W677 HydrophobicContact CE-CD2 3.78Å; M393-W677 HydrophobicContact CE-CG 3.56Å; M393-W677 HydrophobicContact SD-CG 4.3Å; I659-W677 CarbonylContact C-O 3.47Å; I659-W677 WeakPolarHBondContact CA-O 3.36Å; W660-W677 WeakPolarHBondContact CA-O 3.49Å; W660-W677 HydrophobicContact CB-CB 4.35Å; W660-W677 HydrophobicContact CE3-CB 4.09Å; W660-W677 PolarHBondContact N-O 2.89Å; W660-W677 PolarHBondContact O-N 3.31Å; L672-W677 HydrophobicContact CD2-CH2 4.39Å; L672-W677 HydrophobicContact CD2-CZ2 4.21Å; A675-W677 HydrophobicContact CB-CZ2 4.11Å; A675-W677 PolarHBondContact O-NE1 3.4Å; W677-H686 CarbonylContact C-O 3.47Å; W677-H686 WeakPolarHBondContact CA-O 3.4Å; W677-V687 HydrophobicContact CD2-CG1 4.09Å; W677-V687 HydrophobicContact CD2-CG2 4.07Å; W677-V687 HydrophobicContact CE3-CB 4.45Å; W677-V687 HydrophobicContact CE3-CG1 4.22Å; W677-V687 HydrophobicContact CE3-CG2 3.44Å; W677-V687 VanDerWaalsContact CE3-CG2 3.44Å; W677-V687 HydrophobicContact CH2-CG1 4.02Å; W677-V687 HydrophobicContact CH2-CG2 4.08Å; W677-V687 HydrophobicContact CZ2-CG1 3.96Å; W677-V687 HydrophobicContact CZ3-CB 4.49Å; W677-V687 HydrophobicContact CZ3-CG1 4.19Å; W677-V687 HydrophobicContact CZ3-CG2 3.45Å; W677-V687 VanDerWaalsContact CZ3-CG2 3.45Å; W677-F716 HydrophobicContact CZ3-CZ 4.44Å; W677-V726 HydrophobicContact CD2-CG1 3.97Å; W677-V726 HydrophobicContact CE3-CG1 3.87Å; W677-V726 HydrophobicContact CG-CG1 4.35Å; W677-V726 HydrophobicContact CZ3-CG1 4.44Å; W677-F733 HydrophobicContact CE3-CE1 4.19Å; W677-F733 AromaticContact CE3-CZ 3.98Å; W677-F733 HydrophobicContact CE3-CZ 3.98Å; W677-F733 HydrophobicContact CZ3-CZ 4.12Å; W677-F754 HydrophobicContact CE3-CZ 4.35Å; W677-F754 AromaticContact CH2-CD2 3.94Å; W677-F754 HydrophobicContact CH2-CD2 3.94Å; W677-F754 HydrophobicContact CH2-CE1 4.11Å; W677-F754 AromaticContact CH2-CE2 3.15Å; W677-F754 HydrophobicContact CH2-CE2 3.15Å; W677-F754 AromaticContact CH2-CZ 3.2Å; W677-F754 HydrophobicContact CH2-CZ 3.2Å; W677-F754 HydrophobicContact CZ2-CE2 4.24Å; W677-F754 HydrophobicContact CZ2-CZ 4.05Å; W677-F754 HydrophobicContact CZ3-CD1 4.26Å; W677-F754 AromaticContact CZ3-CD2 3.86Å; W677-F754 HydrophobicContact CZ3-CD2 3.86Å; W677-F754 AromaticContact CZ3-CE1 3.8Å; W677-F754 HydrophobicContact CZ3-CE1 3.8Å; W677-F754 AromaticContact CZ3-CE2 3.46Å; W677-F754 HydrophobicContact CZ3-CE2 3.46Å; W677-F754 VanDerWaalsContact CZ3-CE2 3.46Å; W677-F754 HydrophobicContact CZ3-CG 4.26Å; W677-F754 AromaticContact CZ3-CZ 3.36Å; W677-F754 HydrophobicContact CZ3-CZ 3.36Å; W677-I758 HydrophobicContact CH2-CD1 3.69Å; W677-I758 HydrophobicContact CZ3-CD1 4.25Å |
| 678 | I | 94 | Very high | 89.4 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 112.9 | -167.8 | -56.5 | 174 | 0 | 0 | 0 | 106.5 | L623 I652 A653 V656 I676 V685 H686 M713 | L623-I678 HydrophobicContact CD2-CD1 3.83Å; L623-I678 HydrophobicContact CD2-CG1 4.22Å; I652-I678 HydrophobicContact CG2-CD1 4.03Å; A653-I678 HydrophobicContact CB-CD1 3.92Å; A653-I678 HydrophobicContact CB-CG2 4.16Å; V656-I678 HydrophobicContact CB-CG2 4.12Å; V656-I678 HydrophobicContact CG1-CG2 3.67Å; V656-I678 HydrophobicContact CG2-CG2 3.48Å; V656-I678 VanDerWaalsContact CG2-CG2 3.48Å; I676-I678 HydrophobicContact CG2-CD1 4.48Å; I676-I678 HydrophobicContact CG2-CG1 4.16Å; I678-V685 CarbonylContact O-C 3.57Å; I678-V685 WeakPolarHBondContact O-CA 3.1Å; I678-H686 HydrophobicContact CB-CB 4.18Å; I678-H686 PolarHBondContact N-O 3.42Å; I678-H686 PolarHBondContact O-N 3.07Å; I678-M713 HydrophobicContact CD1-CE 4.04Å; I678-M713 HydrophobicContact CD1-SD 4.42Å |
| 679 | N | 93.3 | Very high | 89.9 | Confident | 2 Ų | 2 | 16.9 Ų | 16.9 | 1% | 0.011 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 120 | 170.5 | 168.5 | 32 | 0 | 0 | 0 | 108.2 | E657 D658 W660 G681 Y722 P723 | E657-N679 PolarHBondContact N-O 3.38Å; E657-N679 PolarHBondContact OE2-ND2 2.87Å; D658-N679 HydrophobicContact CB-CB 4.14Å; D658-N679 PolarHBondContact O-N 2.89Å; D658-N679 PolarHBondContact OD2-ND2 3.15Å; W660-N679 HydrophobicContact CH2-CB 3.59Å; W660-N679 HydrophobicContact CZ3-CB 3.53Å; N679-G681 PolarHBondContact OD1-N 2.99Å; N679-Y722 VanDerWaalsContact ND2-CZ 3.32Å; N679-Y722 PolarHBondContact ND2-OH 3.11Å; N679-Y722 VanDerWaalsContact ND2-OH 3.1Å; N679-P723 HydrophobicContact CB-CG 4.17Å |
| 680 | S | 93.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.079 | C | C | . | . | trans | -112.7 | 32 | 179.1 | -68.5 | 0 | 0 | 0 | 0 | 113.1 | F655 I682 R683 G684 H686 | F655-S680 CarbonylContact O-C 3.49Å; F655-S680 WeakPolarHBondContact O-CA 3.45Å; F655-S680 WeakPolarHBondContact O-CB 3.38Å; S680-I682 PolarHBondContact O-N 3.11Å; S680-R683 WeakPolarHBondContact O-CB 3.33Å; S680-R683 PolarHBondContact O-N 3.44Å; S680-G684 PolarHBondContact N-O 2.61Å; S680-H686 PolarHBondContact OG-CD2 2.94Å; S680-H686 VanDerWaalsContact OG-CD2 3.27Å; S680-H686 PolarHBondContact OG-NE2 2.82Å | ||
| 681 | G | 91.6 | Very high | 90.4 | Very high | 3 Ų | 3 | 15.6 Ų | 15.6 | 3% | 0.031 | 7% | 0.072 | C | C | . | . | G | 310 helix | trans | 60.4 | -127 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | S342 E657 N679 R683 G684 | S342-G681 PolarHBondContact OG-O 3.4Å; E657-G681 WeakPolarHBondContact OE2-CA 3.45Å; N679-G681 PolarHBondContact OD1-N 2.99Å; G681-R683 PolarHBondContact O-N 3.3Å; G681-G684 PolarHBondContact O-N 3.15Å; G681-G684 VanDerWaalsContact O-N 3.07Å |
| 682 | I | 89.9 | Confident | 90.1 | Very high | 92 Ų | 92 | 17.5 Ų | 17.5 | 47% | 0.472 | 8% | 0.081 | S | C | . | . | G | 310 helix | trans | -64.7 | -13.7 | -176.6 | -155.8 | 170.9 | 0 | 0 | 0 | 113.5 | F340 S342 S680 G684 | F340-I682 VanDerWaalsContact O-CG2 3.29Å; F340-I682 WeakPolarHBondContact O-CG2 3.42Å; F340-I682 PolarHBondContact O-N 2.9Å; S342-I682 PolarHBondContact OG-N 3.03Å; S680-I682 PolarHBondContact O-N 3.11Å; I682-G684 PolarHBondContact O-N 3.48Å |
| 683 | R | 91.2 | Very high | 89.4 | Confident | 110 Ų | 110 | 21.3 Ų | 21.3 | 42% | 0.415 | 11% | 0.106 | S | C | . | . | G | 310 helix | trans | -84.2 | 6.9 | 177 | -56 | -179.1 | 179.4 | -134 | -2.4 | 113.1 | T293 F655 S680 G681 | T293-R683 PolarHBondContact O-NH2 3.22Å; F655-R683 VanDerWaalsContact CE2-NH1 3.33Å; S680-R683 WeakPolarHBondContact O-CB 3.33Å; S680-R683 PolarHBondContact O-N 3.44Å; G681-R683 PolarHBondContact O-N 3.3Å |
| 684 | G | 92 | Very high | 88.6 | Confident | 5 Ų | 5 | 28.6 Ų | 28.6 | 5% | 0.052 | 13% | 0.134 | C | C | . | . | trans | 78.5 | -155.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | S680 G681 I682 | S680-G684 PolarHBondContact N-O 2.61Å; G681-G684 PolarHBondContact O-N 3.15Å; G681-G684 VanDerWaalsContact O-N 3.07Å; I682-G684 PolarHBondContact O-N 3.48Å | ||
| 685 | V | 93.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 137 | 179.3 | 174.5 | 0 | 0 | 0 | 0 | 110.2 | I678 V687 F716 L718 P723 F733 | I678-V685 CarbonylContact O-C 3.57Å; I678-V685 WeakPolarHBondContact O-CA 3.1Å; V685-V687 HydrophobicContact CG1-CG2 4.41Å; V685-F716 HydrophobicContact CB-CD2 4.45Å; V685-F716 HydrophobicContact CB-CE2 3.94Å; V685-F716 HydrophobicContact CG1-CE2 4.19Å; V685-F716 HydrophobicContact CG1-CZ 4.31Å; V685-F716 PolarHBondContact N-O 3.28Å; V685-F716 PolarHBondContact O-N 2.87Å; V685-L718 HydrophobicContact CG2-CD1 3.51Å; V685-L718 HydrophobicContact CG2-CG 4.01Å; V685-P723 HydrophobicContact CG2-CG 4.07Å; V685-F733 HydrophobicContact CB-CZ 4.28Å; V685-F733 HydrophobicContact CG1-CE1 4.3Å; V685-F733 HydrophobicContact CG1-CZ 3.85Å; V685-F733 HydrophobicContact CG2-CE1 4.45Å; V685-F733 HydrophobicContact CG2-CZ 4.22Å |
| 686 | H | 94.9 | Very high | 85.1 | Confident | 37 Ų | 37 | 40.3 Ų | 40.3 | 17% | 0.171 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 146.8 | 167.5 | -47 | -70.1 | 0 | 0 | 0 | 111.1 | W677 I678 S680 M713 L714 A715 | W677-H686 CarbonylContact C-O 3.47Å; W677-H686 WeakPolarHBondContact CA-O 3.4Å; I678-H686 HydrophobicContact CB-CB 4.18Å; I678-H686 PolarHBondContact N-O 3.42Å; I678-H686 PolarHBondContact O-N 3.07Å; S680-H686 PolarHBondContact OG-CD2 2.94Å; S680-H686 VanDerWaalsContact OG-CD2 3.27Å; S680-H686 PolarHBondContact OG-NE2 2.82Å; H686-M713 HydrophobicContact CB-CG 4.45Å; H686-M713 HydrophobicContact CB-SD 3.64Å; H686-L714 CarbonylContact C-O 3.59Å; H686-L714 WeakPolarHBondContact CA-O 3.2Å; H686-A715 VanDerWaalsContact ND1-CB 3.28Å; H686-A715 WeakPolarHBondContact ND1-CB 3.09Å |
| 687 | V | 94.2 | Very high | 82.6 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 106.5 | 177 | -171.8 | 0 | 0 | 0 | 0 | 107.9 | A675 I676 W677 V685 M689 L714 F716 | A675-V687 HydrophobicContact CB-CG1 4.01Å; I676-V687 CarbonylContact O-C 3.52Å; I676-V687 WeakPolarHBondContact O-CA 3.12Å; W677-V687 HydrophobicContact CD2-CG1 4.09Å; W677-V687 HydrophobicContact CD2-CG2 4.07Å; W677-V687 HydrophobicContact CE3-CB 4.45Å; W677-V687 HydrophobicContact CE3-CG1 4.22Å; W677-V687 HydrophobicContact CE3-CG2 3.44Å; W677-V687 VanDerWaalsContact CE3-CG2 3.44Å; W677-V687 HydrophobicContact CH2-CG1 4.02Å; W677-V687 HydrophobicContact CH2-CG2 4.08Å; W677-V687 HydrophobicContact CZ2-CG1 3.96Å; W677-V687 HydrophobicContact CZ3-CB 4.49Å; W677-V687 HydrophobicContact CZ3-CG1 4.19Å; W677-V687 HydrophobicContact CZ3-CG2 3.45Å; W677-V687 VanDerWaalsContact CZ3-CG2 3.45Å; V685-V687 HydrophobicContact CG1-CG2 4.41Å; V687-M689 HydrophobicContact CG1-CB 4.22Å; V687-M689 HydrophobicContact CG1-CG 4.38Å; V687-M689 HydrophobicContact CG1-SD 4.28Å; V687-L714 HydrophobicContact CB-CB 4.33Å; V687-L714 PolarHBondContact N-O 3.23Å; V687-L714 PolarHBondContact O-N 3.34Å; V687-F716 HydrophobicContact CG2-CE1 3.62Å; V687-F716 HydrophobicContact CG2-CZ 3.6Å |
| 688 | W | 92.2 | Very high | 79.9 | Confident | 31 Ų | 31 | 56.5 Ų | 56.5 | 12% | 0.117 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 102.5 | 174.5 | -168.6 | 47.7 | 0 | 0 | 0 | 108.9 | M625 I652 I676 W711 I712 M713 | M625-W688 HydrophobicContact SD-CH2 3.66Å; M625-W688 HydrophobicContact SD-CZ3 4.32Å; I652-W688 HydrophobicContact CD1-CE3 3.84Å; I652-W688 HydrophobicContact CD1-CH2 3.93Å; I652-W688 HydrophobicContact CD1-CZ3 3.47Å; I652-W688 VanDerWaalsContact CD1-CZ3 3.47Å; I652-W688 HydrophobicContact CG1-CE3 4.49Å; I652-W688 HydrophobicContact CG1-CH2 4.43Å; I652-W688 HydrophobicContact CG1-CZ3 4.31Å; I652-W688 HydrophobicContact CG2-CD2 4.18Å; I652-W688 HydrophobicContact CG2-CE3 4.22Å; I652-W688 HydrophobicContact CG2-CG 4.4Å; I676-W688 HydrophobicContact CB-CB 4.32Å; I676-W688 HydrophobicContact CB-CE3 4.25Å; I676-W688 HydrophobicContact CD1-CE3 3.47Å; I676-W688 VanDerWaalsContact CD1-CE3 3.47Å; I676-W688 HydrophobicContact CD1-CZ3 3.59Å; I676-W688 HydrophobicContact CG1-CE3 4.39Å; I676-W688 PolarHBondContact N-O 3.03Å; I676-W688 PolarHBondContact O-N 3.11Å; W688-W711 AromaticContact CD2-CE3 3.7Å; W688-W711 HydrophobicContact CD2-CE3 3.7Å; W688-W711 HydrophobicContact CD2-CZ3 4.26Å; W688-W711 AromaticContact CE2-CE3 3.72Å; W688-W711 AromaticContact CE3-CE3 3.99Å; W688-W711 HydrophobicContact CE3-CE3 3.99Å; W688-W711 HydrophobicContact CE3-CZ3 4.14Å; W688-W711 HydrophobicContact CG-CE3 4.13Å; W688-W711 HydrophobicContact CH2-CD2 4.42Å; W688-W711 HydrophobicContact CH2-CE3 4.23Å; W688-W711 HydrophobicContact CZ2-CB 4.09Å; W688-W711 HydrophobicContact CZ2-CD2 4.07Å; W688-W711 AromaticContact CZ2-CE3 3.99Å; W688-W711 HydrophobicContact CZ2-CE3 3.99Å; W688-W711 HydrophobicContact CZ2-CG 4.11Å; W688-W711 HydrophobicContact CZ3-CE3 4.24Å; W688-W711 HydrophobicContact CZ3-CZ3 4.35Å; W688-I712 WeakPolarHBondContact CA-O 3.41Å; W688-M713 HydrophobicContact CB-CE 3.71Å; W688-M713 HydrophobicContact CB-SD 3.75Å; W688-M713 HydrophobicContact CG-CE 3.83Å; W688-M713 HydrophobicContact CG-SD 4.34Å |
| 689 | M | 90.5 | Very high | 77.2 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 150.9 | -168.4 | 62 | 178.6 | -69.6 | 0 | 0 | 113 | H671 A675 V687 W711 I712 L714 I774 | H671-M689 HydrophobicContact CB-CE 3.73Å; A675-M689 HydrophobicContact CB-CB 3.64Å; V687-M689 HydrophobicContact CG1-CB 4.22Å; V687-M689 HydrophobicContact CG1-CG 4.38Å; V687-M689 HydrophobicContact CG1-SD 4.28Å; M689-W711 WeakPolarHBondContact O-CA 3.22Å; M689-I712 HydrophobicContact CG-CG2 3.83Å; M689-I712 PolarHBondContact N-O 2.87Å; M689-I712 PolarHBondContact O-N 2.71Å; M689-L714 HydrophobicContact SD-CD1 3.7Å; M689-L714 HydrophobicContact SD-CG 4.32Å; M689-I774 HydrophobicContact CE-CD1 3.67Å |
| 690 | P | 87.8 | Confident | 74.3 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 137.2 | 174.5 | 31.9 | -32.8 | 0 | 0 | 0 | 112.5 | V601 H671 H674 I692 K710 W711 | V601-P690 HydrophobicContact CG2-CB 3.84Å; V601-P690 HydrophobicContact CG2-CG 4.36Å; H671-P690 PolarHBondContact ND1-O 3.18Å; H674-P690 HydrophobicContact CB-CG 3.58Å; P690-I692 HydrophobicContact CB-CG1 4.05Å; P690-I692 HydrophobicContact CG-CD1 4.29Å; P690-I692 HydrophobicContact CG-CG1 4.23Å; P690-I692 PolarHBondContact O-N 3.37Å; P690-K710 CarbonylContact C-O 3.54Å; P690-K710 VanDerWaalsContact CA-O 3.28Å; P690-K710 WeakPolarHBondContact CA-O 3.41Å; P690-W711 HydrophobicContact CB-CD2 4.27Å; P690-W711 HydrophobicContact CB-CH2 4.5Å; P690-W711 HydrophobicContact CB-CZ2 4.1Å; P690-W711 HydrophobicContact CG-CH2 4.23Å; P690-W711 HydrophobicContact CG-CZ2 4.23Å |
| 691 | L | 86.4 | Confident | 71.7 | Confident | 8 Ų | 8 | 72.2 Ų | 72.2 | 4% | 0.042 | 38% | 0.375 | C | S | . | . | trans | -93.8 | 82.5 | 167.1 | -61.3 | -177.9 | 0 | 0 | 0 | 108.4 | P693 K710 I712 L762 L767 Y770 | L691-P693 WeakPolarHBondContact O-CD 3.11Å; L691-K710 PolarHBondContact N-O 2.88Å; L691-I712 HydrophobicContact CD1-CB 4.16Å; L691-I712 HydrophobicContact CD1-CD1 4.28Å; L691-I712 HydrophobicContact CD1-CG2 3.98Å; L691-I712 HydrophobicContact CD2-CG2 3.96Å; L691-I712 HydrophobicContact CG-CB 4.38Å; L691-I712 HydrophobicContact CG-CG2 3.82Å; L691-L762 HydrophobicContact CD2-CD2 4.26Å; L691-L767 HydrophobicContact CD1-CD1 3.9Å; L691-Y770 HydrophobicContact CB-CD1 4.15Å; L691-Y770 HydrophobicContact CB-CE1 3.93Å; L691-Y770 HydrophobicContact CB-CE2 4.45Å; L691-Y770 HydrophobicContact CB-CG 4.49Å; L691-Y770 HydrophobicContact CD1-CD2 4.21Å; L691-Y770 HydrophobicContact CD1-CE2 4.3Å; L691-Y770 HydrophobicContact CD2-CD1 4.23Å; L691-Y770 HydrophobicContact CD2-CD2 4.47Å; L691-Y770 HydrophobicContact CD2-CG 4.03Å | ||
| 692 | I | 80.8 | Confident | 69 | Low | 46 Ų | 46 | 78.2 Ų | 78.2 | 24% | 0.236 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -72.7 | 119.2 | 177.4 | -54.2 | 175.3 | 0 | 0 | 0 | 108.2 | V601 H671 P690 | V601-I692 HydrophobicContact CG2-CD1 4.47Å; V601-I692 HydrophobicContact CG2-CG1 4.25Å; H671-I692 PolarHBondContact CE1-N 3.21Å; H671-I692 VanDerWaalsContact CE1-N 3.3Å; H671-I692 PolarHBondContact CE1-O 2.82Å; P690-I692 HydrophobicContact CB-CG1 4.05Å; P690-I692 HydrophobicContact CG-CD1 4.29Å; P690-I692 HydrophobicContact CG-CG1 4.23Å; P690-I692 PolarHBondContact O-N 3.37Å |
| 693 | P | 73.8 | Confident | 66.6 | Low | 83 Ų | 83 | 82.2 Ų | 82.2 | 54% | 0.539 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 140.6 | 172.9 | -15.9 | 30.8 | 0 | 0 | 0 | 109.8 | L691 E695 | L691-P693 WeakPolarHBondContact O-CD 3.11Å; P693-E695 PolarHBondContact O-N 2.69Å |
| 694 | R | 66.5 | Low | 64 | Low | 155 Ų | 155 | 82 Ų | 82 | 59% | 0.585 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 123.1 | 162.5 | -77.5 | -173.1 | 175.6 | -163 | -2 | 108.6 | S696 D773 | R694-S696 PolarHBondContact O-N 2.97Å; R694-D773 WeakPolarHBondContact CD-OD2 3.36Å; R694-D773 VanDerWaalsContact CG-OD2 3.26Å; R694-D773 WeakPolarHBondContact CG-OD2 3.37Å; R694-D773 IonicContact CZ-OD1 2.87Å; R694-D773 VanDerWaalsContact CZ-OD1 3.24Å; R694-D773 IonicContact CZ-OD2 2.78Å; R694-D773 IonicContact NE-OD1 2.71Å; R694-D773 PolarHBondContact NE-OD1 3.12Å; R694-D773 VanDerWaalsContact NE-OD1 3.09Å; R694-D773 IonicContact NE-OD2 3.03Å; R694-D773 PolarHBondContact NE-OD2 3.49Å; R694-D773 IonicContact NH2-OD1 3.16Å; R694-D773 PolarHBondContact NH2-OD1 2.83Å; R694-D773 IonicContact NH2-OD2 2.71Å |
| 695 | E | 57.5 | Low | 61.7 | Low | 188 Ų | 188 | 90.5 Ų | 90.5 | 88% | 0.879 | 48% | 0.479 | S | S | * | . | trans | -61.9 | 109.9 | 168.8 | -68.8 | -176.2 | 152.5 | 0 | 0 | 109.1 | P693 | P693-E695 PolarHBondContact O-N 2.69Š| ||
| 696 | S | 40.5 | Very low | 59.3 | Low | 86 Ų | 86 | 94.1 Ų | 94.1 | 60% | 0.601 | 50% | 0.504 | S | S | * | . | trans | -58.3 | 133.8 | 157.4 | 49.7 | 0 | 0 | 0 | 0 | 108.3 | R694 E698 | R694-S696 PolarHBondContact O-N 2.97Å; S696-E698 PolarHBondContact O-N 3.24Å | ||
| 697 | Q | 38.7 | Very low | 56.9 | Low | 199 Ų | 199 | 102.6 Ų | 102.6 | 93% | 0.93 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -69.8 | 31.1 | -177.7 | -63.7 | -179.2 | -15.6 | 0 | 0 | 114.3 | ||
| 698 | E | 34.5 | Very low | 54.8 | Low | 141 Ų | 141 | 106.4 Ų | 106.4 | 66% | 0.659 | 56% | 0.56 | S | S | * | * | trans | -99.9 | 109.5 | 179.1 | -76.7 | -90.3 | 147.8 | 0 | 0 | 108.9 | S696 N700 | S696-E698 PolarHBondContact O-N 3.24Å; E698-N700 PolarHBondContact O-N 2.72Å | ||
| 699 | P | 38.5 | Very low | 53.3 | Low | 121 Ų | 121 | 109 Ų | 109 | 79% | 0.786 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | 13.2 | -172.2 | 30.5 | -36.2 | 0 | 0 | 0 | 115 | ||
| 700 | N | 32.1 | Very low | 52.6 | Low | 136 Ų | 136 | 113.3 Ų | 113.3 | 73% | 0.727 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.3 | 36 | -169.9 | -77 | -28.5 | 0 | 0 | 0 | 114 | E698 T702 | E698-N700 PolarHBondContact O-N 2.72Å; N700-T702 VanDerWaalsContact C-N 3.33Å; N700-T702 PolarHBondContact O-N 3.14Å |
| 701 | A | 39.6 | Very low | 52.5 | Low | 76 Ų | 76 | 114.2 Ų | 114.2 | 63% | 0.628 | 61% | 0.605 | S | S | * | * | trans | -83.4 | 64.2 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q703 | A701-Q703 PolarHBondContact O-N 2.72Š| ||
| 702 | T | 33.9 | Very low | 52.7 | Low | 129 Ų | 129 | 114.9 Ų | 114.9 | 79% | 0.791 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | 120 | 164.4 | 47.1 | 0 | 0 | 0 | 0 | 110.6 | N700 | N700-T702 VanDerWaalsContact C-N 3.33Å; N700-T702 PolarHBondContact O-N 3.14Å |
| 703 | Q | 39.4 | Very low | 53.4 | Low | 176 Ų | 176 | 115.2 Ų | 115.2 | 82% | 0.822 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67.8 | 46.2 | 164.4 | -51.7 | -174.7 | 8.1 | 0 | 0 | 118.4 | A701 K705 | A701-Q703 PolarHBondContact O-N 2.72Å; Q703-K705 PolarHBondContact O-N 2.65Å |
| 704 | S | 37.7 | Very low | 54.4 | Low | 106 Ų | 106 | 111.2 Ų | 111.2 | 74% | 0.741 | 58% | 0.584 | S | S | * | * | trans | -74 | 77.3 | 153.1 | 54.3 | 0 | 0 | 0 | 0 | 110.5 | S706 | S704-S706 PolarHBondContact O-N 3.34Š| ||
| 705 | K | 42 | Very low | 55.6 | Low | 183 Ų | 183 | 105.5 Ų | 105.5 | 80% | 0.796 | 57% | 0.57 | S | S | * | * | trans | -66.1 | 84.1 | 164.1 | -77.6 | -172.8 | 178.1 | -179.4 | 0 | 108.8 | Q703 F707 | Q703-K705 PolarHBondContact O-N 2.65Å; K705-F707 PolarHBondContact O-N 3.19Å; K705-F707 VanDerWaalsContact O-N 3.12Å | ||
| 706 | S | 43.9 | Very low | 57.2 | Low | 75 Ų | 75 | 97.1 Ų | 97.1 | 52% | 0.524 | 53% | 0.53 | S | S | . | . | trans | -56.1 | 118.2 | 169.4 | -178 | 0 | 0 | 0 | 0 | 108.6 | S704 I708 | S704-S706 PolarHBondContact O-N 3.34Å; S706-I708 PolarHBondContact O-N 2.81Å; S706-I708 PolarHBondContact OG-N 2.95Å | ||
| 707 | F | 44.5 | Very low | 59.4 | Low | 216 Ų | 216 | 97.9 Ų | 97.9 | 95% | 0.947 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -71.2 | -10.8 | 175.9 | -109.5 | -95.7 | 0 | 0 | 0 | 112.6 | K705 | K705-F707 PolarHBondContact O-N 3.19Å; K705-F707 VanDerWaalsContact O-N 3.12Å |
| 708 | I | 51 | Low | 61.5 | Low | 79 Ų | 79 | 89.7 Ų | 89.7 | 41% | 0.405 | 49% | 0.49 | S | S | . | . | S | Bend | trans | -83.8 | 134.4 | 176 | -87.4 | 167.9 | 0 | 0 | 0 | 109.7 | S706 K710 L767 | S706-I708 PolarHBondContact O-N 2.81Å; S706-I708 PolarHBondContact OG-N 2.95Å; I708-K710 PolarHBondContact O-N 3.38Å; I708-L767 HydrophobicContact CD1-CD2 3.98Å |
| 709 | S | 59.3 | Low | 63.2 | Low | 86 Ų | 86 | 92.4 Ų | 92.4 | 60% | 0.601 | 50% | 0.5 | S | S | * | . | trans | -55.9 | 124.4 | 168.5 | 55.4 | 0 | 0 | 0 | 0 | 109.2 | W711 | S709-W711 WeakPolarHBondContact CB-O 3.25Å; S709-W711 PolarHBondContact O-N 2.88Å; S709-W711 PolarHBondContact OG-O 3.3Å | ||
| 710 | K | 76.8 | Confident | 64.9 | Low | 91 Ų | 91 | 88.6 Ų | 88.6 | 40% | 0.396 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -57.1 | -20.5 | -178.1 | -63.8 | -170 | -178.8 | -173.7 | 0 | 113.4 | V601 D602 P690 L691 I708 | V601-K710 HydrophobicContact CG1-CD 3.79Å; D602-K710 IonicContact OD1-NZ 2.71Å; D602-K710 PolarHBondContact OD1-NZ 3.11Å; D602-K710 WeakPolarHBondContact OD2-CD 3.14Å; D602-K710 IonicContact OD2-NZ 3.86Å; D602-K710 PolarHBondContact OD2-NZ 3.38Å; P690-K710 CarbonylContact C-O 3.54Å; P690-K710 VanDerWaalsContact CA-O 3.28Å; P690-K710 WeakPolarHBondContact CA-O 3.41Å; L691-K710 PolarHBondContact N-O 2.88Å; I708-K710 PolarHBondContact O-N 3.38Å |
| 711 | W | 85.8 | Confident | 67.3 | Low | 19 Ų | 19 | 82.6 Ų | 82.6 | 7% | 0.072 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 142.7 | 175.2 | -69 | 70.2 | 0 | 0 | 0 | 110.4 | F597 R599 H674 I676 W688 M689 P690 S709 | F597-W711 AromaticContact CE1-CH2 3.72Å; F597-W711 HydrophobicContact CE1-CH2 3.72Å; F597-W711 HydrophobicContact CE1-CZ2 4.27Å; F597-W711 AromaticContact CZ-CH2 3.84Å; F597-W711 HydrophobicContact CZ-CH2 3.84Å; R599-W711 HydrophobicContact CB-CZ2 4.04Å; R599-W711 HydrophobicContact CG-CZ2 3.95Å; H674-W711 WeakPolarHBondContact O-CH2 3.43Å; I676-W711 HydrophobicContact CD1-CZ3 4.16Å; I676-W711 HydrophobicContact CG1-CZ3 4.48Å; W688-W711 AromaticContact CD2-CE3 3.7Å; W688-W711 HydrophobicContact CD2-CE3 3.7Å; W688-W711 HydrophobicContact CD2-CZ3 4.26Å; W688-W711 AromaticContact CE2-CE3 3.72Å; W688-W711 AromaticContact CE3-CE3 3.99Å; W688-W711 HydrophobicContact CE3-CE3 3.99Å; W688-W711 HydrophobicContact CE3-CZ3 4.14Å; W688-W711 HydrophobicContact CG-CE3 4.13Å; W688-W711 HydrophobicContact CH2-CD2 4.42Å; W688-W711 HydrophobicContact CH2-CE3 4.23Å; W688-W711 HydrophobicContact CZ2-CB 4.09Å; W688-W711 HydrophobicContact CZ2-CD2 4.07Å; W688-W711 AromaticContact CZ2-CE3 3.99Å; W688-W711 HydrophobicContact CZ2-CE3 3.99Å; W688-W711 HydrophobicContact CZ2-CG 4.11Å; W688-W711 HydrophobicContact CZ3-CE3 4.24Å; W688-W711 HydrophobicContact CZ3-CZ3 4.35Å; M689-W711 WeakPolarHBondContact O-CA 3.22Å; P690-W711 HydrophobicContact CB-CD2 4.27Å; P690-W711 HydrophobicContact CB-CH2 4.5Å; P690-W711 HydrophobicContact CB-CZ2 4.1Å; P690-W711 HydrophobicContact CG-CH2 4.23Å; P690-W711 HydrophobicContact CG-CZ2 4.23Å; S709-W711 WeakPolarHBondContact CB-O 3.25Å; S709-W711 PolarHBondContact O-N 2.88Å; S709-W711 PolarHBondContact OG-O 3.3Å |
| 712 | I | 91.2 | Very high | 69.6 | Low | 21 Ų | 21 | 80.8 Ų | 80.8 | 11% | 0.108 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 141.1 | 177.2 | -166 | 170.2 | 0 | 0 | 0 | 110.5 | W688 M689 L691 L714 L762 L767 | W688-I712 WeakPolarHBondContact CA-O 3.41Å; M689-I712 HydrophobicContact CG-CG2 3.83Å; M689-I712 PolarHBondContact N-O 2.87Å; M689-I712 PolarHBondContact O-N 2.71Å; L691-I712 HydrophobicContact CD1-CB 4.16Å; L691-I712 HydrophobicContact CD1-CD1 4.28Å; L691-I712 HydrophobicContact CD1-CG2 3.98Å; L691-I712 HydrophobicContact CD2-CG2 3.96Å; L691-I712 HydrophobicContact CG-CB 4.38Å; L691-I712 HydrophobicContact CG-CG2 3.82Å; I712-L714 HydrophobicContact CD1-CD2 3.93Å; I712-L714 HydrophobicContact CG1-CD2 3.99Å; I712-L714 HydrophobicContact CG2-CD2 3.95Å; I712-L714 HydrophobicContact CG2-CG 4.39Å; I712-L762 HydrophobicContact CD1-CD2 4.44Å; I712-L767 HydrophobicContact CD1-CD1 3.39Å |
| 713 | M | 94 | Very high | 72.2 | Confident | 53 Ų | 53 | 74.8 Ų | 74.8 | 26% | 0.261 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 109.6 | 172 | -171.7 | 66.5 | 79.6 | 0 | 0 | 109.7 | I652 I678 H686 W688 R765 | I652-M713 HydrophobicContact CG2-CE 3.45Å; I652-M713 VanDerWaalsContact CG2-CE 3.45Å; I678-M713 HydrophobicContact CD1-CE 4.04Å; I678-M713 HydrophobicContact CD1-SD 4.42Å; H686-M713 HydrophobicContact CB-CG 4.45Å; H686-M713 HydrophobicContact CB-SD 3.64Å; W688-M713 HydrophobicContact CB-CE 3.71Å; W688-M713 HydrophobicContact CB-SD 3.75Å; W688-M713 HydrophobicContact CG-CE 3.83Å; W688-M713 HydrophobicContact CG-SD 4.34Å; M713-R765 PolarHBondContact O-NH1 2.98Å; M713-R765 PolarHBondContact O-NH2 3.45Å; M713-R765 VanDerWaalsContact O-NH2 3.15Å |
| 714 | L | 94.4 | Very high | 74.5 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 149.9 | 169.1 | -46.5 | -172.4 | 0 | 0 | 0 | 108.8 | H686 V687 M689 I712 I758 Q761 L762 R765 | H686-L714 CarbonylContact C-O 3.59Å; H686-L714 WeakPolarHBondContact CA-O 3.2Å; V687-L714 HydrophobicContact CB-CB 4.33Å; V687-L714 PolarHBondContact N-O 3.23Å; V687-L714 PolarHBondContact O-N 3.34Å; M689-L714 HydrophobicContact SD-CD1 3.7Å; M689-L714 HydrophobicContact SD-CG 4.32Å; I712-L714 HydrophobicContact CD1-CD2 3.93Å; I712-L714 HydrophobicContact CG1-CD2 3.99Å; I712-L714 HydrophobicContact CG2-CD2 3.95Å; I712-L714 HydrophobicContact CG2-CG 4.39Å; L714-I758 HydrophobicContact CD1-CB 4.19Å; L714-I758 HydrophobicContact CD1-CG1 4.13Å; L714-I758 HydrophobicContact CD1-CG2 3.76Å; L714-Q761 HydrophobicContact CB-CB 4.41Å; L714-Q761 HydrophobicContact CD2-CB 4.18Å; L714-L762 HydrophobicContact CD1-CD2 4.49Å; L714-L762 HydrophobicContact CD1-CG 4.31Å; L714-L762 HydrophobicContact CD2-CD2 4.15Å; L714-R765 VanDerWaalsContact CD2-NH1 3.32Å |
| 715 | A | 93.3 | Very high | 76.8 | Confident | 35 Ų | 35 | 63.4 Ų | 63.4 | 29% | 0.289 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 140.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | H686 Q761 | H686-A715 VanDerWaalsContact ND1-CB 3.28Å; H686-A715 WeakPolarHBondContact ND1-CB 3.09Å; A715-Q761 PolarHBondContact O-NE2 3.32Å |
| 716 | F | 90.9 | Very high | 79 | Confident | 11 Ų | 11 | 54.7 Ų | 54.7 | 5% | 0.048 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 148.1 | 174.4 | 46.4 | -99.2 | 0 | 0 | 0 | 111.3 | W677 V685 V687 L718 F733 F754 H757 I758 | W677-F716 HydrophobicContact CZ3-CZ 4.44Å; V685-F716 HydrophobicContact CB-CD2 4.45Å; V685-F716 HydrophobicContact CB-CE2 3.94Å; V685-F716 HydrophobicContact CG1-CE2 4.19Å; V685-F716 HydrophobicContact CG1-CZ 4.31Å; V685-F716 PolarHBondContact N-O 3.28Å; V685-F716 PolarHBondContact O-N 2.87Å; V687-F716 HydrophobicContact CG2-CE1 3.62Å; V687-F716 HydrophobicContact CG2-CZ 3.6Å; F716-L718 HydrophobicContact CD2-CD2 4.48Å; F716-L718 HydrophobicContact CE2-CD2 4.49Å; F716-F733 AromaticContact CE2-CE2 3.83Å; F716-F733 HydrophobicContact CE2-CE2 3.83Å; F716-F733 HydrophobicContact CE2-CZ 4.06Å; F716-F733 HydrophobicContact CZ-CE2 4.39Å; F716-F733 HydrophobicContact CZ-CZ 4.34Å; F716-F754 HydrophobicContact CE2-CB 4.3Å; F716-F754 HydrophobicContact CZ-CB 4.4Å; F716-H757 HydrophobicContact CB-CB 3.73Å; F716-H757 HydrophobicContact CD1-CB 3.53Å; F716-H757 HydrophobicContact CD2-CB 4.04Å; F716-H757 AromaticContact CD2-CD2 3.7Å; F716-H757 HydrophobicContact CE1-CB 4.12Å; F716-H757 HydrophobicContact CG-CB 3.48Å; F716-H757 VanDerWaalsContact CG-CB 3.48Å; F716-H757 AromaticContact CG-CD2 4Å; F716-H757 AromaticContact CG-CG 3.83Å; F716-I758 HydrophobicContact CE1-CG1 4.03Å |
| 717 | D | 87.1 | Confident | 81 | Confident | 103 Ų | 103 | 51.3 Ų | 51.3 | 55% | 0.551 | 26% | 0.26 | S | S | * | . | trans | -84.3 | 133.2 | -177.6 | -54.2 | -35.1 | 0 | 0 | 0 | 110.9 | ||||
| 718 | L | 81.5 | Confident | 83.1 | Confident | 27 Ų | 27 | 41 Ų | 41 | 14% | 0.141 | 22% | 0.215 | C | C | . | . | trans | -96.2 | 107.7 | 165.6 | -63.8 | -177.9 | 0 | 0 | 0 | 108.3 | V685 F716 P723 F733 E752 | V685-L718 HydrophobicContact CG2-CD1 3.51Å; V685-L718 HydrophobicContact CG2-CG 4.01Å; F716-L718 HydrophobicContact CD2-CD2 4.48Å; F716-L718 HydrophobicContact CE2-CD2 4.49Å; L718-P723 HydrophobicContact CD1-CB 4.19Å; L718-P723 HydrophobicContact CD1-CG 3.98Å; L718-F733 HydrophobicContact CD1-CD2 3.73Å; L718-F733 HydrophobicContact CD1-CE2 3.91Å; L718-F733 HydrophobicContact CD1-CG 4.08Å; L718-F733 HydrophobicContact CD1-CZ 4.4Å; L718-F733 HydrophobicContact CD2-CD2 3.73Å; L718-F733 HydrophobicContact CD2-CE2 3.78Å; L718-F733 HydrophobicContact CG-CD2 4.38Å; L718-F733 HydrophobicContact CG-CE2 4.36Å; L718-E752 HydrophobicContact CD2-CG 4.39Å | ||
| 719 | K | 71.2 | Confident | 84.7 | Confident | 198 Ų | 198 | 38.6 Ų | 38.6 | 86% | 0.861 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -84.4 | -21.2 | 179.3 | -69.1 | -176.5 | 179.9 | 176.8 | 0 | 113 | ||
| 720 | S | 74.3 | Confident | 86 | Confident | 41 Ų | 41 | 36.5 Ų | 36.5 | 29% | 0.287 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -117.7 | -20.3 | -161.5 | 102 | 0 | 0 | 0 | 0 | 114.6 | K750 E752 | S720-K750 WeakPolarHBondContact O-CD 3.34Å; S720-K750 WeakPolarHBondContact O-CE 3.24Å; S720-K750 PolarHBondContact O-NZ 3.43Å; S720-K750 VanDerWaalsContact OG-CE 3.29Å; S720-K750 WeakPolarHBondContact OG-CE 3.5Å; S720-E752 WeakPolarHBondContact CB-OE2 3.31Å; S720-E752 PolarHBondContact OG-OE2 3.46Å |
| 721 | V | 81.9 | Confident | 86.7 | Confident | 10 Ų | 10 | 32.2 Ų | 32.2 | 6% | 0.061 | 16% | 0.164 | C | C | . | . | trans | -138.9 | 132.7 | -177.5 | 177 | 0 | 0 | 0 | 0 | 111.2 | K750 E752 | V721-K750 HydrophobicContact CG2-CB 3.84Å; V721-K750 HydrophobicContact CG2-CD 3.67Å; V721-K750 HydrophobicContact CG2-CG 3.49Å; V721-K750 VanDerWaalsContact CG2-CG 3.49Å; V721-E752 HydrophobicContact CB-CB 4.36Å; V721-E752 HydrophobicContact CG2-CB 4.01Å; V721-E752 PolarHBondContact N-OE2 3.02Å | ||
| 722 | Y | 87.4 | Confident | 86.8 | Confident | 38 Ų | 38 | 31.4 Ų | 31.4 | 15% | 0.149 | 16% | 0.161 | C | C | . | . | trans | -79.5 | 118.3 | 159.6 | -176.1 | -86.9 | 0 | 0 | 0 | 109.2 | L344 E657 D658 N679 L724 G735 | L344-Y722 HydrophobicContact CD2-CD1 3.95Å; L344-Y722 HydrophobicContact CD2-CD2 3.6Å; L344-Y722 HydrophobicContact CD2-CE1 4.3Å; L344-Y722 HydrophobicContact CD2-CE2 3.92Å; L344-Y722 HydrophobicContact CD2-CG 3.59Å; E657-Y722 WeakPolarHBondContact OE2-CE2 3.29Å; E657-Y722 PolarHBondContact OE2-OH 2.91Å; D658-Y722 PolarHBondContact OD2-OH 3.18Å; D658-Y722 VanDerWaalsContact OD2-OH 3.05Å; N679-Y722 VanDerWaalsContact ND2-CZ 3.32Å; N679-Y722 PolarHBondContact ND2-OH 3.11Å; N679-Y722 VanDerWaalsContact ND2-OH 3.1Å; Y722-L724 HydrophobicContact CD1-CD2 3.77Å; Y722-L724 HydrophobicContact CD1-CG 4.4Å; Y722-L724 HydrophobicContact CE1-CD2 3.9Å; Y722-L724 PolarHBondContact O-N 3.24Å; Y722-G735 WeakPolarHBondContact O-CA 3.27Å | ||
| 723 | P | 88.8 | Confident | 86.7 | Confident | 3 Ų | 3 | 30.4 Ų | 30.4 | 2% | 0.019 | 16% | 0.156 | C | C | . | . | trans | -73.4 | 120.2 | -171.7 | 29.4 | -34.2 | 0 | 0 | 0 | 111.5 | W660 N679 V685 L718 F733 | W660-P723 HydrophobicContact CH2-CB 4.27Å; W660-P723 HydrophobicContact CH2-CG 4.14Å; N679-P723 HydrophobicContact CB-CG 4.17Å; V685-P723 HydrophobicContact CG2-CG 4.07Å; L718-P723 HydrophobicContact CD1-CB 4.19Å; L718-P723 HydrophobicContact CD1-CG 3.98Å; P723-F733 HydrophobicContact CB-CB 4.42Å; P723-F733 HydrophobicContact CB-CD1 3.74Å; P723-F733 HydrophobicContact CB-CE1 4.36Å; P723-F733 HydrophobicContact CB-CG 4.24Å | ||
| 724 | L | 87.1 | Confident | 86.3 | Confident | 28 Ų | 28 | 27.9 Ų | 27.9 | 15% | 0.147 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -104.4 | -32.2 | 173.3 | -60.9 | 177.2 | 0 | 0 | 0 | 111.9 | Y2 I399 L401 Y722 L734 V736 | Y2-L724 HydrophobicContact CE2-CD1 3.96Å; Y2-L724 HydrophobicContact CE2-CD2 4.41Å; I399-L724 HydrophobicContact CD1-CD1 4.44Å; I399-L724 HydrophobicContact CG2-CB 4.37Å; I399-L724 HydrophobicContact CG2-CD1 3.83Å; L401-L724 HydrophobicContact CD2-CD1 4.26Å; Y722-L724 HydrophobicContact CD1-CD2 3.77Å; Y722-L724 HydrophobicContact CD1-CG 4.4Å; Y722-L724 HydrophobicContact CE1-CD2 3.9Å; Y722-L724 PolarHBondContact O-N 3.24Å; L724-L734 PolarHBondContact N-O 2.76Å; L724-V736 HydrophobicContact CD1-CB 4.27Å; L724-V736 HydrophobicContact CD1-CG2 3.97Å |
| 725 | V | 86.8 | Confident | 85.9 | Confident | 14 Ų | 14 | 27.9 Ų | 27.9 | 9% | 0.085 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 140.4 | 176 | -175.3 | 0 | 0 | 0 | 0 | 108.8 | C396 I399 L734 | C396-V725 VanDerWaalsContact O-CG1 3.29Å; C396-V725 WeakPolarHBondContact O-CG1 3.34Å; I399-V725 HydrophobicContact CG1-CG2 4.21Å; V725-L734 HydrophobicContact CB-CB 4.19Å; V725-L734 HydrophobicContact CB-CD1 4.45Å; V725-L734 PolarHBondContact N-O 3.46Å; V725-L734 PolarHBondContact O-N 3.43Å |
| 726 | V | 87.6 | Confident | 85.4 | Confident | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.006 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 118 | 177.9 | -166.8 | 0 | 0 | 0 | 0 | 109.2 | M393 W660 W677 F733 F754 | M393-V726 WeakPolarHBondContact CA-O 3.5Å; M393-V726 WeakPolarHBondContact CB-O 3.37Å; M393-V726 HydrophobicContact CE-CB 3.39Å; M393-V726 HydrophobicContact CE-CG1 3.21Å; M393-V726 HydrophobicContact CE-CG2 4.38Å; W660-V726 HydrophobicContact CB-CG2 4.43Å; W660-V726 HydrophobicContact CD2-CG2 3.45Å; W660-V726 VanDerWaalsContact CD2-CG2 3.45Å; W660-V726 HydrophobicContact CE3-CG2 3.65Å; W660-V726 HydrophobicContact CG-CB 4.43Å; W660-V726 HydrophobicContact CG-CG2 3.8Å; W660-V726 HydrophobicContact CH2-CG2 4.36Å; W660-V726 HydrophobicContact CZ2-CG2 4.21Å; W660-V726 HydrophobicContact CZ3-CG2 4.1Å; W677-V726 HydrophobicContact CD2-CG1 3.97Å; W677-V726 HydrophobicContact CE3-CG1 3.87Å; W677-V726 HydrophobicContact CG-CG1 4.35Å; W677-V726 HydrophobicContact CZ3-CG1 4.44Å; V726-F733 HydrophobicContact CB-CD1 4.13Å; V726-F733 HydrophobicContact CB-CE1 4.13Å; V726-F733 HydrophobicContact CG1-CD1 3.75Å; V726-F733 HydrophobicContact CG1-CE1 3.45Å; V726-F733 VanDerWaalsContact CG1-CE1 3.45Å; V726-F733 HydrophobicContact CG1-CZ 4.36Å; V726-F733 HydrophobicContact CG2-CD1 3.75Å; V726-F733 HydrophobicContact CG2-CE1 3.7Å; V726-F754 HydrophobicContact CG1-CE1 4Å |
| 727 | C | 87.2 | Confident | 84.7 | Confident | 4 Ų | 4 | 29.1 Ų | 29.1 | 3% | 0.027 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 81.5 | 178.7 | -62.4 | 0 | 0 | 0 | 0 | 109.2 | L729 K730 C731 F732 | C727-L729 PolarHBondContact O-N 3.45Å; C727-K730 HydrophobicContact CB-CB 4.34Å; C727-K730 CarbonylContact O-C 3.58Å; C727-K730 PolarHBondContact O-N 3.44Å; C727-C731 PolarHBondContact O-N 2.92Å; C727-F732 HydrophobicContact CB-CD1 4.41Å; C727-F732 HydrophobicContact CB-CD2 3.96Å; C727-F732 HydrophobicContact CB-CE1 4.19Å; C727-F732 HydrophobicContact CB-CE2 3.66Å; C727-F732 HydrophobicContact CB-CG 4.32Å; C727-F732 HydrophobicContact CB-CZ 3.8Å; C727-F732 PolarHBondContact N-O 2.86Å; C727-F732 PolarHBondContact O-N 3.06Å; C727-F732 WeakPolarHBondContact SG-CE2 3.5Å |
| 728 | S | 86.9 | Confident | 83.9 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | G | 310 helix | trans | -51.8 | -53.6 | -171.6 | 50.3 | 0 | 0 | 0 | 0 | 113.5 | K730 C731 | S728-K730 VanDerWaalsContact C-N 3.26Å; S728-K730 PolarHBondContact O-N 3.08Å; S728-C731 PolarHBondContact O-N 3.48Å; S728-C731 PolarHBondContact O-SG 2.93Å |
| 729 | L | 85.9 | Confident | 83.1 | Confident | 28 Ų | 28 | 27.1 Ų | 27.1 | 15% | 0.147 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | -69.6 | -20.4 | -174.8 | -60.7 | -176.4 | 0 | 0 | 0 | 114.7 | E394 N666 K669 C727 | E394-L729 HydrophobicContact CB-CD1 3.95Å; E394-L729 HydrophobicContact CB-CG 4.47Å; E394-L729 HydrophobicContact CG-CD1 3.79Å; E394-L729 HydrophobicContact CG-CG 3.92Å; E394-L729 WeakPolarHBondContact OE1-CD2 3.42Å; E394-L729 WeakPolarHBondContact OE1-CG 3.47Å; N666-L729 HydrophobicContact CB-CD1 4.28Å; N666-L729 HydrophobicContact CB-CD2 4.03Å; N666-L729 VanDerWaalsContact ND2-CD1 3.32Å; N666-L729 WeakPolarHBondContact ND2-CD1 3.45Å; K669-L729 HydrophobicContact CB-CD2 3.6Å; K669-L729 HydrophobicContact CD-CB 4.31Å; K669-L729 HydrophobicContact CD-CD2 4.05Å; K669-L729 HydrophobicContact CG-CD2 4.43Å; K669-L729 PolarHBondContact NZ-O 3.25Å; C727-L729 PolarHBondContact O-N 3.45Å |
| 730 | K | 86.8 | Confident | 82.5 | Confident | 42 Ų | 42 | 19.2 Ų | 19.2 | 18% | 0.183 | 10% | 0.099 | C | C | . | . | G | 310 helix | trans | -102.4 | 0.2 | 174.5 | -58.4 | -172.2 | 179.9 | -177.8 | 0 | 112 | E397 I415 C727 S728 F732 L781 Y783 | E397-K730 WeakPolarHBondContact OE1-CE 3.38Å; E397-K730 IonicContact OE1-NZ 3.98Å; E397-K730 PolarHBondContact OE1-NZ 2.68Å; E397-K730 IonicContact OE2-NZ 2.71Å; E397-K730 PolarHBondContact OE2-NZ 3.39Å; I415-K730 HydrophobicContact CD1-CD 3.92Å; I415-K730 VanDerWaalsContact CD1-CE 3.48Å; I415-K730 HydrophobicContact CG1-CD 4.38Å; C727-K730 HydrophobicContact CB-CB 4.34Å; C727-K730 CarbonylContact O-C 3.58Å; C727-K730 PolarHBondContact O-N 3.44Å; S728-K730 VanDerWaalsContact C-N 3.26Å; S728-K730 PolarHBondContact O-N 3.08Å; K730-F732 HydrophobicContact CB-CD1 3.69Å; K730-F732 HydrophobicContact CB-CE1 3.38Å; K730-F732 HydrophobicContact CB-CZ 4.28Å; K730-F732 HydrophobicContact CD-CE1 3.92Å; K730-F732 HydrophobicContact CD-CZ 4.31Å; K730-F732 HydrophobicContact CG-CE1 4.28Å; K730-F732 WeakPolarHBondContact O-CD1 3.4Å; K730-F732 PolarHBondContact O-N 3.01Å; K730-L781 HydrophobicContact CB-CD2 4.46Å; K730-Y783 PolarHBondContact O-OH 2.8Å |
| 731 | C | 89.9 | Confident | 81.5 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 38.7 | 173.7 | -50.3 | 0 | 0 | 0 | 0 | 116.7 | C727 S728 V753 F754 L755 L781 | C727-C731 PolarHBondContact O-N 2.92Å; S728-C731 PolarHBondContact O-N 3.48Å; S728-C731 PolarHBondContact O-SG 2.93Å; C731-V753 WeakPolarHBondContact O-CG1 3.48Å; C731-F754 VanDerWaalsContact C-CZ 3.46Å; C731-F754 VanDerWaalsContact CA-CE2 3.49Å; C731-F754 HydrophobicContact CB-CD2 4.29Å; C731-F754 HydrophobicContact CB-CE2 3.79Å; C731-F754 HydrophobicContact CB-CZ 4.15Å; C731-F754 PolarHBondContact O-N 3.44Å; C731-L755 HydrophobicContact CB-CB 3.72Å; C731-L755 HydrophobicContact CB-CD2 4.41Å; C731-L755 HydrophobicContact CB-CG 4.46Å; C731-L781 HydrophobicContact CB-CD1 4.24Å |
| 732 | F | 88.6 | Confident | 80 | Confident | 2 Ų | 2 | 24.9 Ų | 24.9 | 1% | 0.009 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 153.4 | 174 | 64.8 | -102.2 | 0 | 0 | 0 | 114.5 | C727 K730 L734 R751 E752 V753 F754 | C727-F732 HydrophobicContact CB-CD1 4.41Å; C727-F732 HydrophobicContact CB-CD2 3.96Å; C727-F732 HydrophobicContact CB-CE1 4.19Å; C727-F732 HydrophobicContact CB-CE2 3.66Å; C727-F732 HydrophobicContact CB-CG 4.32Å; C727-F732 HydrophobicContact CB-CZ 3.8Å; C727-F732 PolarHBondContact N-O 2.86Å; C727-F732 PolarHBondContact O-N 3.06Å; C727-F732 WeakPolarHBondContact SG-CE2 3.5Å; K730-F732 HydrophobicContact CB-CD1 3.69Å; K730-F732 HydrophobicContact CB-CE1 3.38Å; K730-F732 HydrophobicContact CB-CZ 4.28Å; K730-F732 HydrophobicContact CD-CE1 3.92Å; K730-F732 HydrophobicContact CD-CZ 4.31Å; K730-F732 HydrophobicContact CG-CE1 4.28Å; K730-F732 WeakPolarHBondContact O-CD1 3.4Å; K730-F732 PolarHBondContact O-N 3.01Å; F732-L734 HydrophobicContact CD2-CD2 3.56Å; F732-L734 HydrophobicContact CD2-CG 3.93Å; F732-L734 HydrophobicContact CE2-CD1 4.06Å; F732-L734 HydrophobicContact CE2-CD2 3.42Å; F732-L734 VanDerWaalsContact CE2-CD2 3.42Å; F732-L734 HydrophobicContact CE2-CG 3.66Å; F732-R751 HydrophobicContact CB-CG 4.14Å; F732-R751 VanDerWaalsContact CD1-NE 3.29Å; F732-R751 HydrophobicContact CD2-CG 3.89Å; F732-R751 HydrophobicContact CG-CG 4.08Å; F732-R751 VanDerWaalsContact CG-NE 3.28Å; F732-E752 CarbonylContact C-O 3.6Å; F732-E752 VanDerWaalsContact CA-O 3.27Å; F732-E752 WeakPolarHBondContact CA-O 3.41Å; F732-E752 WeakPolarHBondContact CB-O 3.35Å; F732-V753 HydrophobicContact CB-CG2 4.29Å; F732-F754 VanDerWaalsContact C-CE1 3.48Å |
| 733 | F | 88.5 | Confident | 78.4 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 147.9 | 165.5 | -62.6 | -70.4 | 0 | 0 | 0 | 110.5 | W677 V685 F716 L718 P723 V726 R751 E752 F754 | W677-F733 HydrophobicContact CE3-CE1 4.19Å; W677-F733 AromaticContact CE3-CZ 3.98Å; W677-F733 HydrophobicContact CE3-CZ 3.98Å; W677-F733 HydrophobicContact CZ3-CZ 4.12Å; V685-F733 HydrophobicContact CB-CZ 4.28Å; V685-F733 HydrophobicContact CG1-CE1 4.3Å; V685-F733 HydrophobicContact CG1-CZ 3.85Å; V685-F733 HydrophobicContact CG2-CE1 4.45Å; V685-F733 HydrophobicContact CG2-CZ 4.22Å; F716-F733 AromaticContact CE2-CE2 3.83Å; F716-F733 HydrophobicContact CE2-CE2 3.83Å; F716-F733 HydrophobicContact CE2-CZ 4.06Å; F716-F733 HydrophobicContact CZ-CE2 4.39Å; F716-F733 HydrophobicContact CZ-CZ 4.34Å; L718-F733 HydrophobicContact CD1-CD2 3.73Å; L718-F733 HydrophobicContact CD1-CE2 3.91Å; L718-F733 HydrophobicContact CD1-CG 4.08Å; L718-F733 HydrophobicContact CD1-CZ 4.4Å; L718-F733 HydrophobicContact CD2-CD2 3.73Å; L718-F733 HydrophobicContact CD2-CE2 3.78Å; L718-F733 HydrophobicContact CG-CD2 4.38Å; L718-F733 HydrophobicContact CG-CE2 4.36Å; P723-F733 HydrophobicContact CB-CB 4.42Å; P723-F733 HydrophobicContact CB-CD1 3.74Å; P723-F733 HydrophobicContact CB-CE1 4.36Å; P723-F733 HydrophobicContact CB-CG 4.24Å; V726-F733 HydrophobicContact CB-CD1 4.13Å; V726-F733 HydrophobicContact CB-CE1 4.13Å; V726-F733 HydrophobicContact CG1-CD1 3.75Å; V726-F733 HydrophobicContact CG1-CE1 3.45Å; V726-F733 VanDerWaalsContact CG1-CE1 3.45Å; V726-F733 HydrophobicContact CG1-CZ 4.36Å; V726-F733 HydrophobicContact CG2-CD1 3.75Å; V726-F733 HydrophobicContact CG2-CE1 3.7Å; F733-R751 WeakPolarHBondContact O-CA 3.34Å; F733-E752 PolarHBondContact N-O 3.43Å; F733-E752 PolarHBondContact O-N 2.92Å; F733-F754 HydrophobicContact CD1-CD1 4.37Å; F733-F754 HydrophobicContact CD2-CB 3.98Å; F733-F754 AromaticContact CD2-CD1 3.48Å; F733-F754 HydrophobicContact CD2-CD1 3.48Å; F733-F754 VanDerWaalsContact CD2-CD1 3.48Å; F733-F754 HydrophobicContact CD2-CE1 4.38Å; F733-F754 HydrophobicContact CD2-CG 4.17Å; F733-F754 HydrophobicContact CE1-CD1 4.2Å; F733-F754 HydrophobicContact CE1-CE1 4.33Å; F733-F754 HydrophobicContact CE2-CB 3.5Å; F733-F754 VanDerWaalsContact CE2-CB 3.5Å; F733-F754 AromaticContact CE2-CD1 3.24Å; F733-F754 HydrophobicContact CE2-CD1 3.24Å; F733-F754 HydrophobicContact CE2-CE1 4.13Å; F733-F754 AromaticContact CE2-CG 3.65Å; F733-F754 HydrophobicContact CE2-CG 3.65Å; F733-F754 HydrophobicContact CG-CD1 4.02Å; F733-F754 HydrophobicContact CZ-CB 4.4Å; F733-F754 AromaticContact CZ-CD1 3.63Å; F733-F754 HydrophobicContact CZ-CD1 3.63Å; F733-F754 HydrophobicContact CZ-CE1 4.09Å; F733-F754 HydrophobicContact CZ-CG 4.16Å |
| 734 | L | 86.5 | Confident | 76.6 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 140.6 | 164.4 | -55 | 179.4 | 0 | 0 | 0 | 109.3 | I399 N413 L724 V725 F732 Y749 R751 | I399-L734 HydrophobicContact CD1-CB 4.03Å; I399-L734 HydrophobicContact CG1-CB 4.04Å; N413-L734 WeakPolarHBondContact ND2-CD1 3.36Å; L724-L734 PolarHBondContact N-O 2.76Å; V725-L734 HydrophobicContact CB-CB 4.19Å; V725-L734 HydrophobicContact CB-CD1 4.45Å; V725-L734 PolarHBondContact N-O 3.46Å; V725-L734 PolarHBondContact O-N 3.43Å; F732-L734 HydrophobicContact CD2-CD2 3.56Å; F732-L734 HydrophobicContact CD2-CG 3.93Å; F732-L734 HydrophobicContact CE2-CD1 4.06Å; F732-L734 HydrophobicContact CE2-CD2 3.42Å; F732-L734 VanDerWaalsContact CE2-CD2 3.42Å; F732-L734 HydrophobicContact CE2-CG 3.66Å; L734-Y749 HydrophobicContact CB-CE2 4.43Å; L734-Y749 HydrophobicContact CD1-CE2 4.26Å; L734-Y749 HydrophobicContact CD2-CE2 3.99Å; L734-Y749 WeakPolarHBondContact CD2-OH 3.23Å; L734-Y749 HydrophobicContact CG-CE2 4.47Å; L734-R751 HydrophobicContact CD2-CB 3.9Å; L734-R751 HydrophobicContact CD2-CG 3.86Å |
| 735 | G | 86.8 | Confident | 75 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | -172.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | I399 Y722 K750 | I399-G735 WeakPolarHBondContact CD1-O 3.42Å; Y722-G735 WeakPolarHBondContact O-CA 3.27Å; G735-K750 PolarHBondContact N-O 3.21Å; G735-K750 PolarHBondContact O-N 2.97Å; G735-K750 VanDerWaalsContact O-N 3.09Å |
| 736 | V | 81.5 | Confident | 73.7 | Confident | 5 Ų | 5 | 30.5 Ų | 30.5 | 3% | 0.03 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 131.7 | 176.9 | 178.6 | 0 | 0 | 0 | 0 | 108.6 | Y2 I399 L401 W427 L724 L747 E748 | Y2-V736 HydrophobicContact CD1-CG1 4.38Å; Y2-V736 HydrophobicContact CE1-CB 4.22Å; Y2-V736 HydrophobicContact CE1-CG1 4.37Å; Y2-V736 VanDerWaalsContact CE1-O 3.31Å; Y2-V736 WeakPolarHBondContact CE1-O 3.41Å; Y2-V736 HydrophobicContact CE2-CB 4.27Å; Y2-V736 PolarHBondContact OH-O 3.2Å; I399-V736 HydrophobicContact CD1-CG2 3.91Å; L401-V736 HydrophobicContact CD1-CG2 4.25Å; W427-V736 HydrophobicContact CH2-CG2 3.73Å; W427-V736 HydrophobicContact CZ2-CG2 4.04Å; L724-V736 HydrophobicContact CD1-CB 4.27Å; L724-V736 HydrophobicContact CD1-CG2 3.97Å; V736-L747 HydrophobicContact CG1-CB 3.75Å; V736-L747 HydrophobicContact CG1-CD2 3.69Å; V736-L747 HydrophobicContact CG1-CG 4.2Å; V736-E748 WeakPolarHBondContact CA-O 3.41Å |
| 737 | E | 77.3 | Confident | 72.8 | Confident | 68 Ų | 68 | 30.8 Ų | 30.8 | 32% | 0.318 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 143.9 | 170.7 | -171.5 | 164.8 | -143.6 | 0 | 0 | 109.2 | E748 K750 | E737-E748 PolarHBondContact N-O 3.13Å; E737-E748 PolarHBondContact O-N 3.01Å; E737-K750 HydrophobicContact CB-CD 4.3Å; E737-K750 IonicContact OE1-NZ 3.47Å; E737-K750 PolarHBondContact OE1-NZ 3.34Å; E737-K750 WeakPolarHBondContact OE2-CD 3.09Å; E737-K750 WeakPolarHBondContact OE2-CE 3.48Å; E737-K750 IonicContact OE2-NZ 2.76Å; E737-K750 PolarHBondContact OE2-NZ 3.1Å |
| 738 | S | 70.4 | Confident | 72.1 | Confident | 9 Ų | 9 | 32.5 Ų | 32.5 | 6% | 0.063 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 120.3 | 164 | 171.1 | 0 | 0 | 0 | 0 | 106.7 | ||
| 739 | E | 63.4 | Low | 71.7 | Confident | 79 Ų | 79 | 33.7 Ų | 33.7 | 37% | 0.369 | 20% | 0.197 | S | C | . | . | trans | -55 | 145.2 | 169.5 | -67 | -165.1 | 125.8 | 0 | 0 | 110.2 | K347 D741 | K347-E739 PolarHBondContact NZ-O 3.47Å; E739-D741 VanDerWaalsContact C-N 3.26Å | ||
| 740 | T | 59 | Low | 71.4 | Confident | 31 Ų | 31 | 35.1 Ų | 35.1 | 19% | 0.19 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -75.2 | -20.3 | 174.9 | 41.2 | 0 | 0 | 0 | 0 | 113 | V301 | V301-T740 HydrophobicContact CG1-CG2 4.18Š|
| 741 | D | 53.9 | Low | 71.2 | Confident | 101 Ų | 101 | 37.1 Ų | 37.1 | 54% | 0.54 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -74.6 | 158.7 | -172.6 | -66.5 | 15.8 | 0 | 0 | 0 | 109.6 | K347 E739 S743 | K347-D741 PolarHBondContact NZ-O 2.99Å; E739-D741 VanDerWaalsContact C-N 3.26Å; D741-S743 PolarHBondContact O-N 3.41Å |
| 742 | G | 50 | Low | 71.1 | Confident | 70 Ų | 70 | 38.5 Ų | 38.5 | 72% | 0.722 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -64.4 | 2.5 | -161.1 | 0 | 0 | 0 | 0 | 0 | 117 | L744 | G742-L744 PolarHBondContact O-N 3.12Š|
| 743 | S | 53.9 | Low | 71.2 | Confident | 37 Ų | 37 | 39.3 Ų | 39.3 | 26% | 0.259 | 22% | 0.22 | S | C | . | . | trans | -67.6 | 108.9 | 172.7 | 58.3 | 0 | 0 | 0 | 0 | 110.4 | K347 D741 S745 | K347-S743 PolarHBondContact NZ-O 3.04Å; D741-S743 PolarHBondContact O-N 3.41Å; S743-S745 PolarHBondContact O-N 3.07Å; S743-S745 VanDerWaalsContact O-N 3.16Å | ||
| 744 | L | 50.4 | Low | 71.4 | Confident | 39 Ų | 39 | 39.3 Ų | 39.3 | 20% | 0.204 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -72.4 | -0.2 | 177.7 | -69.7 | 169.2 | 0 | 0 | 0 | 113.7 | V6 L350 G742 | V6-L744 HydrophobicContact CB-CD1 4.3Å; V6-L744 HydrophobicContact CG1-CD1 4Å; V6-L744 HydrophobicContact CG2-CB 4.24Å; V6-L744 HydrophobicContact CG2-CD1 4.03Å; L350-L744 HydrophobicContact CD1-CD2 3.78Å; L350-L744 HydrophobicContact CG-CD2 4.32Å; G742-L744 PolarHBondContact O-N 3.12Å |
| 745 | S | 53 | Low | 71.8 | Confident | 71 Ų | 71 | 39.3 Ų | 39.3 | 50% | 0.497 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -120.7 | -17.2 | -162.1 | 50.6 | 0 | 0 | 0 | 0 | 116.4 | S743 | S743-S745 PolarHBondContact O-N 3.07Å; S743-S745 VanDerWaalsContact O-N 3.16Å |
| 746 | L | 59.8 | Low | 72.2 | Confident | 53 Ų | 53 | 40 Ų | 40 | 28% | 0.277 | 22% | 0.223 | S | C | . | . | trans | -97.3 | 99.5 | 178.7 | -82.4 | 93.1 | 0 | 0 | 0 | 112.1 | P423 E748 | P423-L746 HydrophobicContact CB-CD2 4.16Å; P423-L746 HydrophobicContact CB-CG 4.26Å; P423-L746 HydrophobicContact CG-CD2 3.91Å; L746-E748 HydrophobicContact CB-CG 4.3Å; L746-E748 HydrophobicContact CD2-CG 4.29Å; L746-E748 WeakPolarHBondContact CD2-OE1 3.11Å | ||
| 747 | L | 70.3 | Confident | 72.8 | Confident | 7 Ų | 7 | 41.1 Ų | 41.1 | 4% | 0.037 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 122.2 | 147.3 | -75.4 | 169.7 | 0 | 0 | 0 | 107.9 | Y2 P3 V4 L383 L424 V736 | Y2-L747 HydrophobicContact CD1-CD2 3.84Å; Y2-L747 HydrophobicContact CG-CD2 4.06Å; P3-L747 VanDerWaalsContact O-CD1 3.22Å; P3-L747 WeakPolarHBondContact O-CD1 3.48Å; V4-L747 HydrophobicContact CG2-CD1 4.2Å; L383-L747 HydrophobicContact CD1-CD1 3.92Å; L424-L747 HydrophobicContact CB-CB 4.18Å; L424-L747 HydrophobicContact CD2-CD1 3.98Å; L424-L747 PolarHBondContact N-O 3.07Å; L424-L747 VanDerWaalsContact N-O 3.1Å; V736-L747 HydrophobicContact CG1-CB 3.75Å; V736-L747 HydrophobicContact CG1-CD2 3.69Å; V736-L747 HydrophobicContact CG1-CG 4.2Å |
| 748 | E | 72.3 | Confident | 73.7 | Confident | 40 Ų | 40 | 37.9 Ų | 37.9 | 19% | 0.187 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 136.3 | -176 | -64.7 | -145.3 | 146 | 0 | 0 | 111.7 | P421 V736 E737 L746 | P421-E748 HydrophobicContact CB-CB 4.17Å; P421-E748 WeakPolarHBondContact CG-OE2 3.49Å; V736-E748 WeakPolarHBondContact CA-O 3.41Å; E737-E748 PolarHBondContact N-O 3.13Å; E737-E748 PolarHBondContact O-N 3.01Å; L746-E748 HydrophobicContact CB-CG 4.3Å; L746-E748 HydrophobicContact CD2-CG 4.29Å; L746-E748 WeakPolarHBondContact CD2-OE1 3.11Å |
| 749 | Y | 77.3 | Confident | 75 | Confident | 25 Ų | 25 | 37.5 Ų | 37.5 | 10% | 0.098 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 122.8 | 171.6 | 170.3 | -100.9 | 0 | 0 | 0 | 110.6 | I399 N413 P421 W427 L734 | I399-Y749 HydrophobicContact CD1-CD2 3.89Å; I399-Y749 HydrophobicContact CD1-CE2 4.05Å; I399-Y749 HydrophobicContact CG1-CE2 4.44Å; N413-Y749 PolarHBondContact ND2-OH 2.78Å; N413-Y749 PolarHBondContact OD1-OH 3.43Å; P421-Y749 WeakPolarHBondContact CB-O 3.33Å; W427-Y749 HydrophobicContact CZ2-CD2 4.3Å; L734-Y749 HydrophobicContact CB-CE2 4.43Å; L734-Y749 HydrophobicContact CD1-CE2 4.26Å; L734-Y749 HydrophobicContact CD2-CE2 3.99Å; L734-Y749 WeakPolarHBondContact CD2-OH 3.23Å; L734-Y749 HydrophobicContact CG-CE2 4.47Å |
| 750 | K | 80.1 | Confident | 76.5 | Confident | 59 Ų | 59 | 34.4 Ų | 34.4 | 26% | 0.257 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 145.4 | -177.6 | -163.9 | 169.7 | 174.8 | -175.2 | 0 | 112.6 | S720 V721 G735 E737 | S720-K750 WeakPolarHBondContact O-CD 3.34Å; S720-K750 WeakPolarHBondContact O-CE 3.24Å; S720-K750 PolarHBondContact O-NZ 3.43Å; S720-K750 VanDerWaalsContact OG-CE 3.29Å; S720-K750 WeakPolarHBondContact OG-CE 3.5Å; V721-K750 HydrophobicContact CG2-CB 3.84Å; V721-K750 HydrophobicContact CG2-CD 3.67Å; V721-K750 HydrophobicContact CG2-CG 3.49Å; V721-K750 VanDerWaalsContact CG2-CG 3.49Å; G735-K750 PolarHBondContact N-O 3.21Å; G735-K750 PolarHBondContact O-N 2.97Å; G735-K750 VanDerWaalsContact O-N 3.09Å; E737-K750 HydrophobicContact CB-CD 4.3Å; E737-K750 IonicContact OE1-NZ 3.47Å; E737-K750 PolarHBondContact OE1-NZ 3.34Å; E737-K750 WeakPolarHBondContact OE2-CD 3.09Å; E737-K750 WeakPolarHBondContact OE2-CE 3.48Å; E737-K750 IonicContact OE2-NZ 2.76Å; E737-K750 PolarHBondContact OE2-NZ 3.1Å |
| 751 | R | 82.6 | Confident | 78.2 | Confident | 84 Ų | 84 | 35 Ų | 35 | 32% | 0.317 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 127.7 | -174 | 176.3 | 173.8 | 174.4 | -135.4 | -13.2 | 110.2 | F732 F733 L734 Y783 | F732-R751 HydrophobicContact CB-CG 4.14Å; F732-R751 VanDerWaalsContact CD1-NE 3.29Å; F732-R751 HydrophobicContact CD2-CG 3.89Å; F732-R751 HydrophobicContact CG-CG 4.08Å; F732-R751 VanDerWaalsContact CG-NE 3.28Å; F733-R751 WeakPolarHBondContact O-CA 3.34Å; L734-R751 HydrophobicContact CD2-CB 3.9Å; L734-R751 HydrophobicContact CD2-CG 3.86Å; R751-Y783 PolarHBondContact NH2-OH 2.88Å |
| 752 | E | 87.7 | Confident | 80.2 | Confident | 29 Ų | 29 | 30.2 Ų | 30.2 | 14% | 0.136 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 121.9 | -177.4 | -168.5 | 165 | 162.7 | 0 | 0 | 109.8 | L718 S720 V721 F732 F733 | L718-E752 HydrophobicContact CD2-CG 4.39Å; S720-E752 WeakPolarHBondContact CB-OE2 3.31Å; S720-E752 PolarHBondContact OG-OE2 3.46Å; V721-E752 HydrophobicContact CB-CB 4.36Å; V721-E752 HydrophobicContact CG2-CB 4.01Å; V721-E752 PolarHBondContact N-OE2 3.02Å; F732-E752 CarbonylContact C-O 3.6Å; F732-E752 VanDerWaalsContact CA-O 3.27Å; F732-E752 WeakPolarHBondContact CA-O 3.41Å; F732-E752 WeakPolarHBondContact CB-O 3.35Å; F733-E752 PolarHBondContact N-O 3.43Å; F733-E752 PolarHBondContact O-N 2.92Å |
| 753 | V | 90.9 | Very high | 82.3 | Confident | 19 Ų | 19 | 27 Ų | 27 | 12% | 0.115 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 118 | -175.6 | -176.7 | 0 | 0 | 0 | 0 | 109.9 | C731 F732 H756 Y783 V787 | C731-V753 WeakPolarHBondContact O-CG1 3.48Å; F732-V753 HydrophobicContact CB-CG2 4.29Å; V753-H756 PolarHBondContact O-CE1 2.91Å; V753-H756 PolarHBondContact O-ND1 3.34Å; V753-Y783 HydrophobicContact CG1-CD2 3.88Å; V753-Y783 HydrophobicContact CG1-CE2 3.97Å; V753-Y783 HydrophobicContact CG2-CD2 4.08Å; V753-Y783 HydrophobicContact CG2-CE2 4.29Å; V753-V787 HydrophobicContact CG1-CG2 3.52Å |
| 754 | F | 92.6 | Very high | 84.2 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | trans | -101.9 | -9.1 | -167.2 | 61.9 | -114.6 | 0 | 0 | 0 | 115.5 | W677 F716 V726 C731 F732 F733 H756 H757 I758 | W677-F754 HydrophobicContact CE3-CZ 4.35Å; W677-F754 AromaticContact CH2-CD2 3.94Å; W677-F754 HydrophobicContact CH2-CD2 3.94Å; W677-F754 HydrophobicContact CH2-CE1 4.11Å; W677-F754 AromaticContact CH2-CE2 3.15Å; W677-F754 HydrophobicContact CH2-CE2 3.15Å; W677-F754 AromaticContact CH2-CZ 3.2Å; W677-F754 HydrophobicContact CH2-CZ 3.2Å; W677-F754 HydrophobicContact CZ2-CE2 4.24Å; W677-F754 HydrophobicContact CZ2-CZ 4.05Å; W677-F754 HydrophobicContact CZ3-CD1 4.26Å; W677-F754 AromaticContact CZ3-CD2 3.86Å; W677-F754 HydrophobicContact CZ3-CD2 3.86Å; W677-F754 AromaticContact CZ3-CE1 3.8Å; W677-F754 HydrophobicContact CZ3-CE1 3.8Å; W677-F754 AromaticContact CZ3-CE2 3.46Å; W677-F754 HydrophobicContact CZ3-CE2 3.46Å; W677-F754 VanDerWaalsContact CZ3-CE2 3.46Å; W677-F754 HydrophobicContact CZ3-CG 4.26Å; W677-F754 AromaticContact CZ3-CZ 3.36Å; W677-F754 HydrophobicContact CZ3-CZ 3.36Å; F716-F754 HydrophobicContact CE2-CB 4.3Å; F716-F754 HydrophobicContact CZ-CB 4.4Å; V726-F754 HydrophobicContact CG1-CE1 4Å; C731-F754 VanDerWaalsContact C-CZ 3.46Å; C731-F754 VanDerWaalsContact CA-CE2 3.49Å; C731-F754 HydrophobicContact CB-CD2 4.29Å; C731-F754 HydrophobicContact CB-CE2 3.79Å; C731-F754 HydrophobicContact CB-CZ 4.15Å; C731-F754 PolarHBondContact O-N 3.44Å; F732-F754 VanDerWaalsContact C-CE1 3.48Å; F733-F754 HydrophobicContact CD1-CD1 4.37Å; F733-F754 HydrophobicContact CD2-CB 3.98Å; F733-F754 AromaticContact CD2-CD1 3.48Å; F733-F754 HydrophobicContact CD2-CD1 3.48Å; F733-F754 VanDerWaalsContact CD2-CD1 3.48Å; F733-F754 HydrophobicContact CD2-CE1 4.38Å; F733-F754 HydrophobicContact CD2-CG 4.17Å; F733-F754 HydrophobicContact CE1-CD1 4.2Å; F733-F754 HydrophobicContact CE1-CE1 4.33Å; F733-F754 HydrophobicContact CE2-CB 3.5Å; F733-F754 VanDerWaalsContact CE2-CB 3.5Å; F733-F754 AromaticContact CE2-CD1 3.24Å; F733-F754 HydrophobicContact CE2-CD1 3.24Å; F733-F754 HydrophobicContact CE2-CE1 4.13Å; F733-F754 AromaticContact CE2-CG 3.65Å; F733-F754 HydrophobicContact CE2-CG 3.65Å; F733-F754 HydrophobicContact CG-CD1 4.02Å; F733-F754 HydrophobicContact CZ-CB 4.4Å; F733-F754 AromaticContact CZ-CD1 3.63Å; F733-F754 HydrophobicContact CZ-CD1 3.63Å; F733-F754 HydrophobicContact CZ-CE1 4.09Å; F733-F754 HydrophobicContact CZ-CG 4.16Å; F754-H756 PolarHBondContact O-N 2.71Å; F754-H756 VanDerWaalsContact O-N 3.07Å; F754-H757 WeakPolarHBondContact O-CB 3.49Å; F754-H757 PolarHBondContact O-N 3.48Å; F754-I758 HydrophobicContact CD2-CD1 3.84Å; F754-I758 HydrophobicContact CD2-CG1 4.49Å; F754-I758 HydrophobicContact CE2-CD1 3.86Å | ||
| 755 | L | 94.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -53.5 | -37.9 | -172 | -177.2 | 52.4 | 0 | 0 | 0 | 112.2 | C731 H757 I758 L759 I774 C778 F784 V787 | C731-L755 HydrophobicContact CB-CB 3.72Å; C731-L755 HydrophobicContact CB-CD2 4.41Å; C731-L755 HydrophobicContact CB-CG 4.46Å; L755-H757 VanDerWaalsContact C-N 3.3Å; L755-H757 PolarHBondContact O-N 3.23Å; L755-I758 PolarHBondContact O-N 2.87Å; L755-I758 VanDerWaalsContact O-N 3.11Å; L755-L759 HydrophobicContact CD1-CD2 4.49Å; L755-L759 HydrophobicContact CD1-CG 4.27Å; L755-L759 HydrophobicContact CG-CD1 4.16Å; L755-L759 HydrophobicContact CG-CG 4.33Å; L755-L759 WeakPolarHBondContact O-CG 3.46Å; L755-L759 PolarHBondContact O-N 2.85Å; L755-I774 HydrophobicContact CD1-CG2 3.89Å; L755-C778 HydrophobicContact CD2-CB 3.63Å; L755-F784 HydrophobicContact CD2-CD2 4.47Å; L755-V787 HydrophobicContact CB-CG1 3.67Å; L755-V787 HydrophobicContact CB-CG2 4.09Å; L755-V787 HydrophobicContact CD2-CG1 3.94Å; L755-V787 HydrophobicContact CD2-CG2 4.5Å; L755-V787 HydrophobicContact CG-CG1 3.75Å |
| 756 | H | 94.8 | Very high | 88 | Confident | 15 Ų | 15 | 36.6 Ų | 36.6 | 7% | 0.069 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.9 | -36 | 179.1 | 74 | -78.5 | 0 | 0 | 0 | 112.9 | V753 F754 K760 V787 L790 L791 | V753-H756 PolarHBondContact O-CE1 2.91Å; V753-H756 PolarHBondContact O-ND1 3.34Å; F754-H756 PolarHBondContact O-N 2.71Å; F754-H756 VanDerWaalsContact O-N 3.07Å; H756-K760 VanDerWaalsContact O-CB 3.24Å; H756-K760 WeakPolarHBondContact O-CB 3.27Å; H756-K760 PolarHBondContact O-N 2.69Å; H756-V787 HydrophobicContact CB-CG1 4.07Å; H756-V787 WeakPolarHBondContact CB-O 3.47Å; H756-L790 HydrophobicContact CB-CB 4.1Å; H756-L791 HydrophobicContact CB-CB 3.97Å |
| 757 | H | 95.1 | Very high | 89.5 | Confident | 28 Ų | 28 | 35.1 Ų | 35.1 | 13% | 0.13 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.4 | -39.6 | 174.3 | -57.4 | -54.7 | 0 | 0 | 0 | 112.7 | F716 F754 L755 K760 Q761 | F716-H757 HydrophobicContact CB-CB 3.73Å; F716-H757 HydrophobicContact CD1-CB 3.53Å; F716-H757 HydrophobicContact CD2-CB 4.04Å; F716-H757 AromaticContact CD2-CD2 3.7Å; F716-H757 HydrophobicContact CE1-CB 4.12Å; F716-H757 HydrophobicContact CG-CB 3.48Å; F716-H757 VanDerWaalsContact CG-CB 3.48Å; F716-H757 AromaticContact CG-CD2 4Å; F716-H757 AromaticContact CG-CG 3.83Å; F754-H757 WeakPolarHBondContact O-CB 3.49Å; F754-H757 PolarHBondContact O-N 3.48Å; L755-H757 VanDerWaalsContact C-N 3.3Å; L755-H757 PolarHBondContact O-N 3.23Å; H757-K760 PolarHBondContact O-N 2.69Å; H757-Q761 WeakPolarHBondContact O-CB 3.4Å; H757-Q761 WeakPolarHBondContact O-CG 3.22Å; H757-Q761 PolarHBondContact O-N 3.05Å |
| 758 | I | 95.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.6 | -49.1 | 177.4 | -68.8 | 178.2 | 0 | 0 | 0 | 110.1 | L672 W677 L714 F716 F754 L755 K760 Q761 L762 | L672-I758 HydrophobicContact CD2-CD1 4.02Å; W677-I758 HydrophobicContact CH2-CD1 3.69Å; W677-I758 HydrophobicContact CZ3-CD1 4.25Å; L714-I758 HydrophobicContact CD1-CB 4.19Å; L714-I758 HydrophobicContact CD1-CG1 4.13Å; L714-I758 HydrophobicContact CD1-CG2 3.76Å; F716-I758 HydrophobicContact CE1-CG1 4.03Å; F754-I758 HydrophobicContact CD2-CD1 3.84Å; F754-I758 HydrophobicContact CD2-CG1 4.49Å; F754-I758 HydrophobicContact CE2-CD1 3.86Å; L755-I758 PolarHBondContact O-N 2.87Å; L755-I758 VanDerWaalsContact O-N 3.11Å; I758-K760 VanDerWaalsContact C-N 3.34Å; I758-K760 PolarHBondContact O-N 3.03Å; I758-Q761 PolarHBondContact O-N 2.73Å; I758-L762 HydrophobicContact CG2-CD1 3.94Å; I758-L762 WeakPolarHBondContact O-CG 3.39Å; I758-L762 PolarHBondContact O-N 3.24Å |
| 759 | L | 96.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.6 | -45.5 | 177.4 | -60.8 | 179 | 0 | 0 | 0 | 111.2 | L755 Q761 L762 L763 A771 A775 V787 L788 L791 F817 | L755-L759 HydrophobicContact CD1-CD2 4.49Å; L755-L759 HydrophobicContact CD1-CG 4.27Å; L755-L759 HydrophobicContact CG-CD1 4.16Å; L755-L759 HydrophobicContact CG-CG 4.33Å; L755-L759 WeakPolarHBondContact O-CG 3.46Å; L755-L759 PolarHBondContact O-N 2.85Å; L759-Q761 PolarHBondContact O-N 2.86Å; L759-L762 PolarHBondContact O-N 3.09Å; L759-L763 WeakPolarHBondContact O-CB 3.35Å; L759-L763 VanDerWaalsContact O-CG 3.27Å; L759-L763 WeakPolarHBondContact O-CG 3.29Å; L759-L763 PolarHBondContact O-N 3.02Å; L759-A771 HydrophobicContact CD2-CB 4.01Å; L759-A771 WeakPolarHBondContact CD2-O 3.36Å; L759-A775 HydrophobicContact CD1-CB 4.1Å; L759-A775 HydrophobicContact CD2-CB 3.95Å; L759-V787 HydrophobicContact CD1-CG1 4.35Å; L759-L788 HydrophobicContact CD1-CD2 4.37Å; L759-L791 HydrophobicContact CB-CD1 4.43Å; L759-L791 HydrophobicContact CB-CD2 4.02Å; L759-L791 HydrophobicContact CD1-CD2 4.27Å; L759-F817 HydrophobicContact CD1-CE1 4.21Å; L759-F817 HydrophobicContact CD1-CZ 4.15Å; L759-F817 HydrophobicContact CD2-CZ 4.14Å |
| 760 | K | 95.7 | Very high | 92.2 | Very high | 15 Ų | 15 | 40.7 Ų | 40.7 | 7% | 0.065 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -56.6 | -49.2 | 175.6 | -175.4 | 172.9 | -179.1 | 166.2 | 0 | 112.5 | H756 H757 I758 L762 L763 K764 L791 S794 V795 E798 L810 | H756-K760 VanDerWaalsContact O-CB 3.24Å; H756-K760 WeakPolarHBondContact O-CB 3.27Å; H756-K760 PolarHBondContact O-N 2.69Å; H757-K760 PolarHBondContact O-N 2.69Å; I758-K760 VanDerWaalsContact C-N 3.34Å; I758-K760 PolarHBondContact O-N 3.03Å; K760-L762 PolarHBondContact O-N 3.44Å; K760-L763 PolarHBondContact O-N 3.46Å; K760-K764 VanDerWaalsContact O-CB 3.29Å; K760-K764 WeakPolarHBondContact O-CB 3.33Å; K760-K764 PolarHBondContact O-N 2.88Å; K760-L791 HydrophobicContact CB-CD1 3.7Å; K760-L791 HydrophobicContact CG-CD1 4.45Å; K760-S794 PolarHBondContact NZ-O 2.81Å; K760-S794 PolarHBondContact NZ-OG 2.83Å; K760-V795 HydrophobicContact CD-CG2 3.91Å; K760-V795 HydrophobicContact CG-CG2 4.08Å; K760-E798 WeakPolarHBondContact CE-OE2 3.39Å; K760-E798 IonicContact NZ-OE1 3.23Å; K760-E798 PolarHBondContact NZ-OE1 3.33Å; K760-E798 IonicContact NZ-OE2 2.83Å; K760-E798 PolarHBondContact NZ-OE2 3.09Å; K760-L810 HydrophobicContact CG-CD2 4.1Å |
| 761 | Q | 94.6 | Very high | 92.9 | Very high | 43 Ų | 43 | 37.9 Ų | 37.9 | 20% | 0.201 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67 | -34.8 | -179 | -71.4 | -65.4 | -9.5 | 0 | 0 | 112.9 | L714 A715 H757 I758 L759 R765 | L714-Q761 HydrophobicContact CB-CB 4.41Å; L714-Q761 HydrophobicContact CD2-CB 4.18Å; A715-Q761 PolarHBondContact O-NE2 3.32Å; H757-Q761 WeakPolarHBondContact O-CB 3.4Å; H757-Q761 WeakPolarHBondContact O-CG 3.22Å; H757-Q761 PolarHBondContact O-N 3.05Å; I758-Q761 PolarHBondContact O-N 2.73Å; L759-Q761 PolarHBondContact O-N 2.86Å; Q761-R765 WeakPolarHBondContact O-CG 3.41Å; Q761-R765 PolarHBondContact O-N 3.31Å |
| 762 | L | 94.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -70.6 | -45 | 175.1 | -69 | 171.6 | 0 | 0 | 0 | 111.6 | L691 I712 L714 I758 L759 K760 K764 R765 N766 L767 A771 I774 | L691-L762 HydrophobicContact CD2-CD2 4.26Å; I712-L762 HydrophobicContact CD1-CD2 4.44Å; L714-L762 HydrophobicContact CD1-CD2 4.49Å; L714-L762 HydrophobicContact CD1-CG 4.31Å; L714-L762 HydrophobicContact CD2-CD2 4.15Å; I758-L762 HydrophobicContact CG2-CD1 3.94Å; I758-L762 WeakPolarHBondContact O-CG 3.39Å; I758-L762 PolarHBondContact O-N 3.24Å; L759-L762 PolarHBondContact O-N 3.09Å; K760-L762 PolarHBondContact O-N 3.44Å; L762-K764 PolarHBondContact O-N 3.42Å; L762-R765 CarbonylContact O-C 3.58Å; L762-R765 PolarHBondContact O-N 2.89Å; L762-R765 VanDerWaalsContact O-N 3.1Å; L762-N766 PolarHBondContact O-N 2.65Å; L762-L767 HydrophobicContact CB-CB 4.2Å; L762-L767 HydrophobicContact CD2-CB 4.01Å; L762-L767 HydrophobicContact CD2-CD1 3.9Å; L762-L767 WeakPolarHBondContact O-CB 3.23Å; L762-L767 PolarHBondContact O-N 2.86Å; L762-A771 HydrophobicContact CB-CB 3.88Å; L762-A771 HydrophobicContact CD1-CB 4.22Å; L762-I774 HydrophobicContact CD1-CD1 3.64Å |
| 763 | L | 95.5 | Very high | 93.7 | Very high | 3 Ų | 3 | 37.3 Ų | 37.3 | 2% | 0.016 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.4 | -39.6 | 176.9 | -69 | 167.8 | 0 | 0 | 0 | 112.1 | L759 K760 R765 N766 A771 L791 L810 R813 V814 F817 | L759-L763 WeakPolarHBondContact O-CB 3.35Å; L759-L763 VanDerWaalsContact O-CG 3.27Å; L759-L763 WeakPolarHBondContact O-CG 3.29Å; L759-L763 PolarHBondContact O-N 3.02Å; K760-L763 PolarHBondContact O-N 3.46Å; L763-R765 PolarHBondContact O-N 2.77Å; L763-N766 PolarHBondContact O-N 2.99Å; L763-A771 HydrophobicContact CD2-CB 4.31Å; L763-A771 HydrophobicContact CG-CB 4.2Å; L763-L791 HydrophobicContact CD1-CD2 4.32Å; L763-L810 HydrophobicContact CB-CD1 3.95Å; L763-R813 HydrophobicContact CD2-CG 4.46Å; L763-R813 WeakPolarHBondContact O-CD 3.5Å; L763-R813 PolarHBondContact O-NH1 2.7Å; L763-V814 HydrophobicContact CD1-CG2 3.98Å; L763-F817 HydrophobicContact CD1-CB 4.19Å; L763-F817 HydrophobicContact CD1-CD1 4.02Å; L763-F817 HydrophobicContact CD1-CD2 4.32Å; L763-F817 HydrophobicContact CD1-CE1 4.5Å; L763-F817 HydrophobicContact CD1-CG 3.91Å; L763-F817 HydrophobicContact CD2-CB 4.05Å; L763-F817 HydrophobicContact CD2-CD2 3.92Å; L763-F817 HydrophobicContact CD2-CG 4.07Å |
| 764 | K | 93.1 | Very high | 93.9 | Very high | 133 Ų | 133 | 36.4 Ų | 36.4 | 58% | 0.578 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -60.6 | -24.9 | 173.8 | -171.1 | 168.6 | -176.4 | 169.1 | 0 | 113.1 | K760 L762 L810 | K760-K764 VanDerWaalsContact O-CB 3.29Å; K760-K764 WeakPolarHBondContact O-CB 3.33Å; K760-K764 PolarHBondContact O-N 2.88Å; L762-K764 PolarHBondContact O-N 3.42Å; K764-L810 HydrophobicContact CB-CD1 4.42Å; K764-L810 HydrophobicContact CB-CD2 4.08Å |
| 765 | R | 91.3 | Very high | 94 | Very high | 103 Ų | 103 | 36.4 Ų | 36.4 | 39% | 0.389 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102 | 14.3 | 180 | -66.9 | 174.6 | 179.7 | 170.7 | -3.3 | 113.9 | M713 L714 Q761 L762 L763 L767 | M713-R765 PolarHBondContact O-NH1 2.98Å; M713-R765 PolarHBondContact O-NH2 3.45Å; M713-R765 VanDerWaalsContact O-NH2 3.15Å; L714-R765 VanDerWaalsContact CD2-NH1 3.32Å; Q761-R765 WeakPolarHBondContact O-CG 3.41Å; Q761-R765 PolarHBondContact O-N 3.31Å; L762-R765 CarbonylContact O-C 3.58Å; L762-R765 PolarHBondContact O-N 2.89Å; L762-R765 VanDerWaalsContact O-N 3.1Å; L763-R765 PolarHBondContact O-N 2.77Å; R765-L767 HydrophobicContact CB-CD1 4.12Å; R765-L767 HydrophobicContact CB-CG 4.27Å; R765-L767 PolarHBondContact O-N 3.07Å |
| 766 | N | 91.4 | Very high | 93.9 | Very high | 112 Ų | 112 | 38.8 Ų | 38.8 | 60% | 0.599 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | 23.3 | -175.4 | -66.6 | -54.8 | 0 | 0 | 0 | 114.8 | L762 L763 G768 R813 | L762-N766 PolarHBondContact O-N 2.65Å; L763-N766 PolarHBondContact O-N 2.99Å; N766-G768 VanDerWaalsContact C-N 3.31Å; N766-G768 PolarHBondContact O-N 2.86Å; N766-R813 PolarHBondContact OD1-NE 2.77Å; N766-R813 PolarHBondContact OD1-NH1 3.32Å; N766-R813 VanDerWaalsContact OD1-NH1 3.11Å |
| 767 | L | 92.4 | Very high | 93.8 | Very high | 22 Ų | 22 | 39.1 Ų | 39.1 | 12% | 0.115 | 20% | 0.196 | C | C | . | . | trans | -96.6 | 38.4 | 180 | -63.3 | 172.3 | 0 | 0 | 0 | 112.2 | L691 I708 I712 L762 R765 V769 Y770 A771 | L691-L767 HydrophobicContact CD1-CD1 3.9Å; I708-L767 HydrophobicContact CD1-CD2 3.98Å; I712-L767 HydrophobicContact CD1-CD1 3.39Å; L762-L767 HydrophobicContact CB-CB 4.2Å; L762-L767 HydrophobicContact CD2-CB 4.01Å; L762-L767 HydrophobicContact CD2-CD1 3.9Å; L762-L767 WeakPolarHBondContact O-CB 3.23Å; L762-L767 PolarHBondContact O-N 2.86Å; R765-L767 HydrophobicContact CB-CD1 4.12Å; R765-L767 HydrophobicContact CB-CG 4.27Å; R765-L767 PolarHBondContact O-N 3.07Å; L767-V769 VanDerWaalsContact C-N 3.28Å; L767-V769 PolarHBondContact O-N 2.85Å; L767-Y770 HydrophobicContact CB-CD2 4.16Å; L767-Y770 HydrophobicContact CD2-CD2 4.05Å; L767-Y770 HydrophobicContact CD2-CE2 4.15Å; L767-Y770 PolarHBondContact O-N 3.33Å; L767-Y770 VanDerWaalsContact O-N 3.11Å; L767-A771 PolarHBondContact O-N 3.43Å; L767-A771 VanDerWaalsContact O-N 3.11Å | ||
| 768 | G | 91.8 | Very high | 93.7 | Very high | 27 Ų | 27 | 37.8 Ų | 37.8 | 28% | 0.278 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -58.6 | -32.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | N766 Y770 A771 W772 | N766-G768 VanDerWaalsContact C-N 3.31Å; N766-G768 PolarHBondContact O-N 2.86Å; G768-Y770 PolarHBondContact O-N 2.83Å; G768-A771 WeakPolarHBondContact O-CB 3.3Å; G768-A771 PolarHBondContact O-N 3.39Å; G768-W772 WeakPolarHBondContact O-CB 3.25Å; G768-W772 PolarHBondContact O-N 2.94Å |
| 769 | V | 91.8 | Very high | 93.6 | Very high | 117 Ų | 117 | 43.7 Ų | 43.7 | 71% | 0.709 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -62.1 | -43.2 | 176.4 | -177.7 | 0 | 0 | 0 | 0 | 111.5 | L767 W772 D773 | L767-V769 VanDerWaalsContact C-N 3.28Å; L767-V769 PolarHBondContact O-N 2.85Å; V769-W772 PolarHBondContact O-N 3.47Å; V769-D773 PolarHBondContact O-N 3.04Å |
| 770 | Y | 92.5 | Very high | 93.3 | Very high | 46 Ų | 46 | 48.7 Ų | 48.7 | 18% | 0.18 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -72.4 | -36.9 | 176.9 | -61.4 | -73.6 | 0 | 0 | 0 | 111.7 | H671 L691 L767 G768 W772 D773 I774 | H671-Y770 AromaticContact CE1-CD1 3.96Å; L691-Y770 HydrophobicContact CB-CD1 4.15Å; L691-Y770 HydrophobicContact CB-CE1 3.93Å; L691-Y770 HydrophobicContact CB-CE2 4.45Å; L691-Y770 HydrophobicContact CB-CG 4.49Å; L691-Y770 HydrophobicContact CD1-CD2 4.21Å; L691-Y770 HydrophobicContact CD1-CE2 4.3Å; L691-Y770 HydrophobicContact CD2-CD1 4.23Å; L691-Y770 HydrophobicContact CD2-CD2 4.47Å; L691-Y770 HydrophobicContact CD2-CG 4.03Å; L767-Y770 HydrophobicContact CB-CD2 4.16Å; L767-Y770 HydrophobicContact CD2-CD2 4.05Å; L767-Y770 HydrophobicContact CD2-CE2 4.15Å; L767-Y770 PolarHBondContact O-N 3.33Å; L767-Y770 VanDerWaalsContact O-N 3.11Å; G768-Y770 PolarHBondContact O-N 2.83Å; Y770-W772 VanDerWaalsContact C-N 3.27Å; Y770-W772 PolarHBondContact O-N 3.05Å; Y770-D773 PolarHBondContact O-N 2.86Å; Y770-I774 WeakPolarHBondContact O-CB 3.43Å; Y770-I774 WeakPolarHBondContact O-CD1 3.32Å; Y770-I774 VanDerWaalsContact O-CG1 3.25Å; Y770-I774 WeakPolarHBondContact O-CG1 3.48Å; Y770-I774 PolarHBondContact O-N 3.04Å |
| 771 | A | 95 | Very high | 93 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.8 | -41.7 | 172 | 0 | 0 | 0 | 0 | 0 | 111.2 | L759 L762 L763 L767 G768 A775 F817 | L759-A771 HydrophobicContact CD2-CB 4.01Å; L759-A771 WeakPolarHBondContact CD2-O 3.36Å; L762-A771 HydrophobicContact CB-CB 3.88Å; L762-A771 HydrophobicContact CD1-CB 4.22Å; L763-A771 HydrophobicContact CD2-CB 4.31Å; L763-A771 HydrophobicContact CG-CB 4.2Å; L767-A771 PolarHBondContact O-N 3.43Å; L767-A771 VanDerWaalsContact O-N 3.11Å; G768-A771 WeakPolarHBondContact O-CB 3.3Å; G768-A771 PolarHBondContact O-N 3.39Å; A771-A775 VanDerWaalsContact O-CB 3.29Å; A771-A775 WeakPolarHBondContact O-CB 3.46Å; A771-A775 PolarHBondContact O-N 2.86Å; A771-F817 HydrophobicContact CB-CE2 3.92Å; A771-F817 HydrophobicContact CB-CZ 4.48Å |
| 772 | W | 94.8 | Very high | 92.7 | Very high | 84 Ų | 84 | 50.7 Ų | 50.7 | 32% | 0.318 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -68 | -41.2 | 179.7 | 179.6 | 93.1 | 0 | 0 | 0 | 112.2 | G768 V769 Y770 A775 T776 F817 | G768-W772 WeakPolarHBondContact O-CB 3.25Å; G768-W772 PolarHBondContact O-N 2.94Å; V769-W772 PolarHBondContact O-N 3.47Å; Y770-W772 VanDerWaalsContact C-N 3.27Å; Y770-W772 PolarHBondContact O-N 3.05Å; W772-A775 PolarHBondContact O-N 2.98Å; W772-T776 VanDerWaalsContact O-CB 3.23Å; W772-T776 WeakPolarHBondContact O-CB 3.41Å; W772-T776 PolarHBondContact O-N 2.61Å; W772-T776 PolarHBondContact O-OG1 2.94Å; W772-F817 HydrophobicContact CB-CE2 4.1Å |
| 773 | D | 92.6 | Very high | 92.5 | Very high | 17 Ų | 17 | 52 Ų | 52 | 9% | 0.091 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.6 | -45 | 176.9 | -157.9 | 1.4 | 0 | 0 | 0 | 111.7 | R694 V769 Y770 A775 T776 T777 | R694-D773 WeakPolarHBondContact CD-OD2 3.36Å; R694-D773 VanDerWaalsContact CG-OD2 3.26Å; R694-D773 WeakPolarHBondContact CG-OD2 3.37Å; R694-D773 IonicContact CZ-OD1 2.87Å; R694-D773 VanDerWaalsContact CZ-OD1 3.24Å; R694-D773 IonicContact CZ-OD2 2.78Å; R694-D773 IonicContact NE-OD1 2.71Å; R694-D773 PolarHBondContact NE-OD1 3.12Å; R694-D773 VanDerWaalsContact NE-OD1 3.09Å; R694-D773 IonicContact NE-OD2 3.03Å; R694-D773 PolarHBondContact NE-OD2 3.49Å; R694-D773 IonicContact NH2-OD1 3.16Å; R694-D773 PolarHBondContact NH2-OD1 2.83Å; R694-D773 IonicContact NH2-OD2 2.71Å; V769-D773 PolarHBondContact O-N 3.04Å; Y770-D773 PolarHBondContact O-N 2.86Å; D773-A775 PolarHBondContact O-N 3.37Å; D773-T776 PolarHBondContact O-N 2.93Å; D773-T777 WeakPolarHBondContact O-CB 3.25Å; D773-T777 VanDerWaalsContact O-CG2 3.31Å; D773-T777 WeakPolarHBondContact O-CG2 3.32Å; D773-T777 PolarHBondContact O-N 3.07Å; D773-T777 PolarHBondContact O-OG1 3.14Å |
| 774 | I | 94 | Very high | 92.4 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.8 | -42.8 | 176.3 | -65.7 | 163.2 | 0 | 0 | 0 | 111.2 | H671 L672 M689 L755 L762 Y770 T777 C778 | H671-I774 HydrophobicContact CB-CD1 4.17Å; H671-I774 HydrophobicContact CB-CG1 3.92Å; L672-I774 HydrophobicContact CD1-CG2 4.29Å; L672-I774 HydrophobicContact CG-CG2 4.47Å; M689-I774 HydrophobicContact CE-CD1 3.67Å; L755-I774 HydrophobicContact CD1-CG2 3.89Å; L762-I774 HydrophobicContact CD1-CD1 3.64Å; Y770-I774 WeakPolarHBondContact O-CB 3.43Å; Y770-I774 WeakPolarHBondContact O-CD1 3.32Å; Y770-I774 VanDerWaalsContact O-CG1 3.25Å; Y770-I774 WeakPolarHBondContact O-CG1 3.48Å; Y770-I774 PolarHBondContact O-N 3.04Å; I774-T777 WeakPolarHBondContact CA-OG1 3.3Å; I774-T777 PolarHBondContact O-OG1 3.14Å; I774-C778 WeakPolarHBondContact O-CB 3.45Å; I774-C778 PolarHBondContact O-N 2.93Å; I774-C778 PolarHBondContact O-SG 3.09Å |
| 775 | A | 95.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.2 | -44.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L759 A771 W772 D773 T777 C778 R779 F784 F817 F821 | L759-A775 HydrophobicContact CD1-CB 4.1Å; L759-A775 HydrophobicContact CD2-CB 3.95Å; A771-A775 VanDerWaalsContact O-CB 3.29Å; A771-A775 WeakPolarHBondContact O-CB 3.46Å; A771-A775 PolarHBondContact O-N 2.86Å; W772-A775 PolarHBondContact O-N 2.98Å; D773-A775 PolarHBondContact O-N 3.37Å; A775-T777 VanDerWaalsContact C-N 3.34Å; A775-T777 PolarHBondContact O-N 2.72Å; A775-C778 CarbonylContact O-C 3.59Å; A775-C778 PolarHBondContact O-N 3.46Å; A775-R779 PolarHBondContact O-N 2.71Å; A775-F784 HydrophobicContact CB-CE2 4.19Å; A775-F784 HydrophobicContact CB-CZ 4.2Å; A775-F784 WeakPolarHBondContact O-CE2 3.42Å; A775-F817 HydrophobicContact CB-CZ 3.79Å; A775-F821 HydrophobicContact CB-CE1 4.15Å; A775-F821 HydrophobicContact CB-CE2 4.37Å; A775-F821 HydrophobicContact CB-CZ 3.59Å |
| 776 | T | 93.6 | Very high | 92.5 | Very high | 49 Ų | 49 | 46.6 Ų | 46.6 | 30% | 0.301 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.2 | -42 | 179.3 | -60.5 | 0 | 0 | 0 | 0 | 111.6 | W772 D773 C778 R779 | W772-T776 VanDerWaalsContact O-CB 3.23Å; W772-T776 WeakPolarHBondContact O-CB 3.41Å; W772-T776 PolarHBondContact O-N 2.61Å; W772-T776 PolarHBondContact O-OG1 2.94Å; D773-T776 PolarHBondContact O-N 2.93Å; T776-C778 PolarHBondContact O-N 2.95Å; T776-R779 PolarHBondContact O-N 3.11Å |
| 777 | T | 91.8 | Very high | 92.6 | Very high | 23 Ų | 23 | 41.2 Ų | 41.2 | 14% | 0.141 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69.7 | -18.3 | 176.6 | 53.6 | 0 | 0 | 0 | 0 | 113.3 | L668 K669 D773 I774 A775 | L668-T777 WeakPolarHBondContact O-CG2 3.3Å; K669-T777 WeakPolarHBondContact CE-O 3.27Å; D773-T777 WeakPolarHBondContact O-CB 3.25Å; D773-T777 VanDerWaalsContact O-CG2 3.31Å; D773-T777 WeakPolarHBondContact O-CG2 3.32Å; D773-T777 PolarHBondContact O-N 3.07Å; D773-T777 PolarHBondContact O-OG1 3.14Å; I774-T777 WeakPolarHBondContact CA-OG1 3.3Å; I774-T777 PolarHBondContact O-OG1 3.14Å; A775-T777 VanDerWaalsContact C-N 3.34Å; A775-T777 PolarHBondContact O-N 2.72Å |
| 778 | C | 92.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | 11.2 | 179.2 | -62 | 0 | 0 | 0 | 0 | 114.5 | L755 I774 A775 T776 D780 L781 F784 | L755-C778 HydrophobicContact CD2-CB 3.63Å; I774-C778 WeakPolarHBondContact O-CB 3.45Å; I774-C778 PolarHBondContact O-N 2.93Å; I774-C778 PolarHBondContact O-SG 3.09Å; A775-C778 CarbonylContact O-C 3.59Å; A775-C778 PolarHBondContact O-N 3.46Å; T776-C778 PolarHBondContact O-N 2.95Å; C778-D780 VanDerWaalsContact C-OD1 3.22Å; C778-D780 WeakPolarHBondContact CA-OD1 3.35Å; C778-D780 PolarHBondContact O-N 3.35Å; C778-L781 HydrophobicContact CB-CD1 4.05Å; C778-L781 VanDerWaalsContact O-CG 3.31Å; C778-L781 WeakPolarHBondContact O-CG 3.19Å; C778-L781 PolarHBondContact O-N 3.45Å; C778-F784 VanDerWaalsContact O-CD2 3.31Å; C778-F784 WeakPolarHBondContact O-CD2 3.07Å |
| 779 | R | 92.9 | Very high | 93 | Very high | 123 Ų | 123 | 39.4 Ų | 39.4 | 46% | 0.464 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -6.6 | 179.7 | -168.2 | 164.4 | 175.2 | -115.4 | -21.8 | 113.8 | A775 T776 L781 F784 E823 | A775-R779 PolarHBondContact O-N 2.71Å; T776-R779 PolarHBondContact O-N 3.11Å; R779-L781 VanDerWaalsContact C-N 3.29Å; R779-F784 HydrophobicContact CB-CD1 4.38Å; R779-F784 HydrophobicContact CB-CE1 4.27Å; R779-F784 HydrophobicContact CB-CZ 4.38Å; R779-F784 HydrophobicContact CG-CD1 3.94Å; R779-F784 HydrophobicContact CG-CE1 3.93Å; R779-E823 IonicContact CZ-OE1 2.69Å; R779-E823 VanDerWaalsContact CZ-OE1 3.26Å; R779-E823 IonicContact CZ-OE2 3.03Å; R779-E823 IonicContact NE-OE1 2.71Å; R779-E823 PolarHBondContact NE-OE1 3.05Å; R779-E823 IonicContact NE-OE2 3.58Å; R779-E823 PolarHBondContact NE-OE2 3.33Å; R779-E823 IonicContact NH2-OE1 3.06Å; R779-E823 PolarHBondContact NH2-OE1 2.86Å; R779-E823 IonicContact NH2-OE2 2.7Å |
| 780 | D | 90.7 | Very high | 93.1 | Very high | 106 Ų | 106 | 36.1 Ų | 36.1 | 57% | 0.567 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -15.4 | 172 | 63.5 | -43.3 | 0 | 0 | 0 | 113.9 | K669 C778 | K669-D780 WeakPolarHBondContact CE-OD1 3.43Å; K669-D780 IonicContact NZ-OD1 2.99Å; K669-D780 PolarHBondContact NZ-OD1 3.29Å; K669-D780 IonicContact NZ-OD2 2.97Å; K669-D780 PolarHBondContact NZ-OD2 2.86Å; C778-D780 VanDerWaalsContact C-OD1 3.22Å; C778-D780 WeakPolarHBondContact CA-OD1 3.35Å; C778-D780 PolarHBondContact O-N 3.35Å |
| 781 | L | 90.3 | Very high | 93.3 | Very high | 9 Ų | 9 | 33.9 Ų | 33.9 | 5% | 0.047 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -79.4 | 131 | -176.5 | -54.9 | 178.1 | 0 | 0 | 0 | 111 | K730 C731 C778 R779 Y783 F784 | K730-L781 HydrophobicContact CB-CD2 4.46Å; C731-L781 HydrophobicContact CB-CD1 4.24Å; C778-L781 HydrophobicContact CB-CD1 4.05Å; C778-L781 VanDerWaalsContact O-CG 3.31Å; C778-L781 WeakPolarHBondContact O-CG 3.19Å; C778-L781 PolarHBondContact O-N 3.45Å; R779-L781 VanDerWaalsContact C-N 3.29Å; L781-Y783 HydrophobicContact CB-CD2 4.45Å; L781-Y783 HydrophobicContact CB-CE1 4.39Å; L781-Y783 HydrophobicContact CB-CE2 4.01Å; L781-Y783 HydrophobicContact CD1-CE2 4Å; L781-Y783 HydrophobicContact CG-CE2 4.5Å; L781-Y783 PolarHBondContact O-N 3.27Å; L781-Y783 VanDerWaalsContact O-N 3.11Å; L781-F784 HydrophobicContact CB-CB 4.47Å; L781-F784 WeakPolarHBondContact O-CB 3.45Å; L781-F784 PolarHBondContact O-N 3.22Å |
| 782 | P | 88.6 | Confident | 93.4 | Very high | 90 Ų | 90 | 33.9 Ų | 33.9 | 58% | 0.584 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -11.7 | -174.9 | 29.1 | -37 | 0 | 0 | 0 | 114.5 | I415 | I415-P782 HydrophobicContact CG2-CG 3.43Å; I415-P782 VanDerWaalsContact CG2-CG 3.43Å |
| 783 | Y | 89.3 | Confident | 93.3 | Very high | 29 Ų | 29 | 32.5 Ų | 32.5 | 11% | 0.114 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | 16.5 | 173 | 44.4 | -87 | 0 | 0 | 0 | 111.7 | K730 R751 V753 L781 E785 H786 V787 | K730-Y783 PolarHBondContact O-OH 2.8Å; R751-Y783 PolarHBondContact NH2-OH 2.88Å; V753-Y783 HydrophobicContact CG1-CD2 3.88Å; V753-Y783 HydrophobicContact CG1-CE2 3.97Å; V753-Y783 HydrophobicContact CG2-CD2 4.08Å; V753-Y783 HydrophobicContact CG2-CE2 4.29Å; L781-Y783 HydrophobicContact CB-CD2 4.45Å; L781-Y783 HydrophobicContact CB-CE1 4.39Å; L781-Y783 HydrophobicContact CB-CE2 4.01Å; L781-Y783 HydrophobicContact CD1-CE2 4Å; L781-Y783 HydrophobicContact CG-CE2 4.5Å; L781-Y783 PolarHBondContact O-N 3.27Å; L781-Y783 VanDerWaalsContact O-N 3.11Å; Y783-E785 VanDerWaalsContact C-N 3.29Å; Y783-E785 PolarHBondContact O-N 3.45Å; Y783-H786 PolarHBondContact O-N 3.33Å; Y783-H786 VanDerWaalsContact O-N 3.08Å; Y783-V787 HydrophobicContact CD2-CG2 4.29Å; Y783-V787 PolarHBondContact O-N 3.34Å |
| 784 | F | 94.6 | Very high | 93.3 | Very high | 5 Ų | 5 | 32.9 Ų | 32.9 | 2% | 0.022 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.2 | -39.3 | 177.3 | -178.2 | -102.2 | 0 | 0 | 0 | 112.2 | L755 A775 C778 R779 L781 H786 V787 L788 F821 | L755-F784 HydrophobicContact CD2-CD2 4.47Å; A775-F784 HydrophobicContact CB-CE2 4.19Å; A775-F784 HydrophobicContact CB-CZ 4.2Å; A775-F784 WeakPolarHBondContact O-CE2 3.42Å; C778-F784 VanDerWaalsContact O-CD2 3.31Å; C778-F784 WeakPolarHBondContact O-CD2 3.07Å; R779-F784 HydrophobicContact CB-CD1 4.38Å; R779-F784 HydrophobicContact CB-CE1 4.27Å; R779-F784 HydrophobicContact CB-CZ 4.38Å; R779-F784 HydrophobicContact CG-CD1 3.94Å; R779-F784 HydrophobicContact CG-CE1 3.93Å; L781-F784 HydrophobicContact CB-CB 4.47Å; L781-F784 WeakPolarHBondContact O-CB 3.45Å; L781-F784 PolarHBondContact O-N 3.22Å; F784-H786 VanDerWaalsContact C-N 3.33Å; F784-H786 PolarHBondContact O-N 2.75Å; F784-V787 WeakPolarHBondContact O-CB 3.38Å; F784-V787 PolarHBondContact O-N 3.47Å; F784-L788 HydrophobicContact CD1-CD1 4.26Å; F784-L788 HydrophobicContact CE1-CD1 3.67Å; F784-L788 HydrophobicContact CE1-CG 4.15Å; F784-L788 HydrophobicContact CZ-CD1 4.09Å; F784-L788 HydrophobicContact CZ-CD2 4.2Å; F784-L788 HydrophobicContact CZ-CG 4.26Å; F784-L788 PolarHBondContact O-N 2.91Å; F784-L788 VanDerWaalsContact O-N 3.14Å; F784-F821 AromaticContact CE1-CD1 3.91Å; F784-F821 HydrophobicContact CE1-CD1 3.91Å; F784-F821 HydrophobicContact CE1-CE1 4.31Å; F784-F821 HydrophobicContact CE1-CG 4.48Å; F784-F821 AromaticContact CZ-CD1 3.92Å; F784-F821 HydrophobicContact CZ-CD1 3.92Å; F784-F821 AromaticContact CZ-CE1 3.86Å; F784-F821 HydrophobicContact CZ-CE1 3.86Å; F784-F821 HydrophobicContact CZ-CZ 4.48Å |
| 785 | E | 93.2 | Very high | 93.3 | Very high | 55 Ų | 55 | 33 Ų | 33 | 26% | 0.257 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -56.1 | -47.3 | 171 | -177 | -167.4 | 151.6 | 0 | 0 | 111.7 | Y783 V787 L788 E789 Q826 V827 H830 | Y783-E785 VanDerWaalsContact C-N 3.29Å; Y783-E785 PolarHBondContact O-N 3.45Å; E785-V787 VanDerWaalsContact C-N 3.32Å; E785-V787 PolarHBondContact O-N 2.92Å; E785-L788 PolarHBondContact O-N 2.83Å; E785-L788 VanDerWaalsContact O-N 3.13Å; E785-E789 PolarHBondContact O-N 2.76Å; E785-Q826 WeakPolarHBondContact OE1-CG 3.28Å; E785-Q826 PolarHBondContact OE1-NE2 2.66Å; E785-Q826 PolarHBondContact OE2-NE2 2.96Å; E785-V827 HydrophobicContact CG-CG2 4.06Å; E785-H830 IonicContact OE1-CE1 2.9Å; E785-H830 PolarHBondContact OE1-CE1 2.83Å; E785-H830 IonicContact OE1-ND1 2.77Å; E785-H830 PolarHBondContact OE1-ND1 2.92Å |
| 786 | H | 92.3 | Very high | 93.2 | Very high | 64 Ų | 64 | 33 Ų | 33 | 30% | 0.296 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -67.7 | -29.9 | 179.2 | -177.5 | 52.1 | 0 | 0 | 0 | 112.5 | Y783 F784 L788 E789 L790 | Y783-H786 PolarHBondContact O-N 3.33Å; Y783-H786 VanDerWaalsContact O-N 3.08Å; F784-H786 VanDerWaalsContact C-N 3.33Å; F784-H786 PolarHBondContact O-N 2.75Å; H786-L788 VanDerWaalsContact C-N 3.35Å; H786-E789 IonicContact CE1-OE1 2.66Å; H786-E789 IonicContact ND1-OE1 3.29Å; H786-E789 PolarHBondContact ND1-OE1 3.01Å; H786-E789 PolarHBondContact O-N 2.82Å; H786-L790 WeakPolarHBondContact O-CB 3.38Å; H786-L790 VanDerWaalsContact O-CG 3.27Å; H786-L790 WeakPolarHBondContact O-CG 3.36Å; H786-L790 PolarHBondContact O-N 3.12Å |
| 787 | V | 94.8 | Very high | 93 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.4 | -45.2 | 169.1 | 167.1 | 0 | 0 | 0 | 0 | 111.3 | V753 L755 H756 L759 Y783 F784 E785 E789 L790 L791 | V753-V787 HydrophobicContact CG1-CG2 3.52Å; L755-V787 HydrophobicContact CB-CG1 3.67Å; L755-V787 HydrophobicContact CB-CG2 4.09Å; L755-V787 HydrophobicContact CD2-CG1 3.94Å; L755-V787 HydrophobicContact CD2-CG2 4.5Å; L755-V787 HydrophobicContact CG-CG1 3.75Å; H756-V787 HydrophobicContact CB-CG1 4.07Å; H756-V787 WeakPolarHBondContact CB-O 3.47Å; L759-V787 HydrophobicContact CD1-CG1 4.35Å; Y783-V787 HydrophobicContact CD2-CG2 4.29Å; Y783-V787 PolarHBondContact O-N 3.34Å; F784-V787 WeakPolarHBondContact O-CB 3.38Å; F784-V787 PolarHBondContact O-N 3.47Å; E785-V787 VanDerWaalsContact C-N 3.32Å; E785-V787 PolarHBondContact O-N 2.92Å; V787-E789 VanDerWaalsContact C-N 3.35Å; V787-L790 PolarHBondContact O-N 2.85Å; V787-L791 WeakPolarHBondContact O-CB 3.45Å; V787-L791 PolarHBondContact O-N 2.79Å |
| 788 | L | 96.7 | Very high | 92.8 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -69 | -35.7 | 179.1 | -63.3 | -172.2 | 0 | 0 | 0 | 111.6 | L759 F784 E785 H786 L791 L792 F817 L818 F821 V827 | L759-L788 HydrophobicContact CD1-CD2 4.37Å; F784-L788 HydrophobicContact CD1-CD1 4.26Å; F784-L788 HydrophobicContact CE1-CD1 3.67Å; F784-L788 HydrophobicContact CE1-CG 4.15Å; F784-L788 HydrophobicContact CZ-CD1 4.09Å; F784-L788 HydrophobicContact CZ-CD2 4.2Å; F784-L788 HydrophobicContact CZ-CG 4.26Å; F784-L788 PolarHBondContact O-N 2.91Å; F784-L788 VanDerWaalsContact O-N 3.14Å; E785-L788 PolarHBondContact O-N 2.83Å; E785-L788 VanDerWaalsContact O-N 3.13Å; H786-L788 VanDerWaalsContact C-N 3.35Å; L788-L791 PolarHBondContact O-N 2.82Å; L788-L792 PolarHBondContact O-N 3.02Å; L788-L792 VanDerWaalsContact O-N 3.09Å; L788-F817 HydrophobicContact CD2-CE1 4.3Å; L788-L818 HydrophobicContact CB-CD2 3.7Å; L788-L818 HydrophobicContact CD1-CD2 3.97Å; L788-L818 HydrophobicContact CD2-CD2 3.8Å; L788-L818 HydrophobicContact CG-CD2 4.02Å; L788-F821 HydrophobicContact CD1-CB 4.11Å; L788-F821 HydrophobicContact CD1-CD2 4.35Å; L788-F821 HydrophobicContact CD1-CG 4.15Å; L788-V827 HydrophobicContact CB-CG1 4Å; L788-V827 HydrophobicContact CB-CG2 3.73Å; L788-V827 HydrophobicContact CD1-CG2 4.36Å |
| 789 | E | 95.2 | Very high | 92.7 | Very high | 9 Ų | 9 | 38.5 Ų | 38.5 | 4% | 0.042 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61 | -49.6 | 170.9 | -171.4 | -163.6 | 86.5 | 0 | 0 | 111.8 | E785 H786 V787 L791 L792 H793 H830 C831 K834 | E785-E789 PolarHBondContact O-N 2.76Å; H786-E789 IonicContact CE1-OE1 2.66Å; H786-E789 IonicContact ND1-OE1 3.29Å; H786-E789 PolarHBondContact ND1-OE1 3.01Å; H786-E789 PolarHBondContact O-N 2.82Å; V787-E789 VanDerWaalsContact C-N 3.35Å; E789-L791 VanDerWaalsContact C-N 3.33Å; E789-L791 PolarHBondContact O-N 3.31Å; E789-L792 PolarHBondContact O-N 3.06Å; E789-H793 VanDerWaalsContact O-CB 3.27Å; E789-H793 WeakPolarHBondContact O-CB 3.48Å; E789-H793 PolarHBondContact O-N 2.66Å; E789-H830 VanDerWaalsContact OE2-CB 3.26Å; E789-H830 WeakPolarHBondContact OE2-CB 3.42Å; E789-C831 HydrophobicContact CG-CB 4.25Å; E789-K834 IonicContact OE1-NZ 3.24Å; E789-K834 PolarHBondContact OE1-NZ 3.1Å; E789-K834 IonicContact OE2-NZ 3.76Å; E789-K834 PolarHBondContact OE2-NZ 3.05Å |
| 790 | L | 94 | Very high | 92.2 | Very high | 48 Ų | 48 | 34.1 Ų | 34.1 | 25% | 0.251 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62.1 | -38.1 | 176.9 | -72.8 | 172.5 | 0 | 0 | 0 | 112.5 | H756 H786 V787 S794 | H756-L790 HydrophobicContact CB-CB 4.1Å; H786-L790 WeakPolarHBondContact O-CB 3.38Å; H786-L790 VanDerWaalsContact O-CG 3.27Å; H786-L790 WeakPolarHBondContact O-CG 3.36Å; H786-L790 PolarHBondContact O-N 3.12Å; V787-L790 PolarHBondContact O-N 2.85Å; L790-S794 WeakPolarHBondContact O-CB 3.35Å; L790-S794 PolarHBondContact O-N 2.79Å |
| 791 | L | 96.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.1 | -49.3 | 174.9 | 173.1 | 60.8 | 0 | 0 | 0 | 111 | H756 L759 K760 L763 V787 L788 E789 V795 V814 F817 | H756-L791 HydrophobicContact CB-CB 3.97Å; L759-L791 HydrophobicContact CB-CD1 4.43Å; L759-L791 HydrophobicContact CB-CD2 4.02Å; L759-L791 HydrophobicContact CD1-CD2 4.27Å; K760-L791 HydrophobicContact CB-CD1 3.7Å; K760-L791 HydrophobicContact CG-CD1 4.45Å; L763-L791 HydrophobicContact CD1-CD2 4.32Å; V787-L791 WeakPolarHBondContact O-CB 3.45Å; V787-L791 PolarHBondContact O-N 2.79Å; L788-L791 PolarHBondContact O-N 2.82Å; E789-L791 VanDerWaalsContact C-N 3.33Å; E789-L791 PolarHBondContact O-N 3.31Å; L791-V795 WeakPolarHBondContact O-CG2 3.4Å; L791-V795 PolarHBondContact O-N 2.97Å; L791-V814 HydrophobicContact CD2-CG1 4.24Å; L791-V814 HydrophobicContact CG-CG1 3.99Å; L791-F817 HydrophobicContact CD2-CD1 4.13Å; L791-F817 HydrophobicContact CD2-CE1 3.96Å |
| 792 | L | 96.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.9 | -48.2 | -179.9 | -177.1 | 60.9 | 0 | 0 | 0 | 111.6 | L788 E789 V795 L796 L811 V814 V815 L818 V827 I828 C831 L843 | L788-L792 PolarHBondContact O-N 3.02Å; L788-L792 VanDerWaalsContact O-N 3.09Å; E789-L792 PolarHBondContact O-N 3.06Å; L792-V795 PolarHBondContact O-N 2.91Å; L792-L796 WeakPolarHBondContact O-CB 3.48Å; L792-L796 PolarHBondContact O-N 3.38Å; L792-L811 HydrophobicContact CD1-CD1 3.55Å; L792-V814 HydrophobicContact CD1-CG1 4.27Å; L792-V815 HydrophobicContact CD1-CG2 4.28Å; L792-L818 HydrophobicContact CB-CD1 4.1Å; L792-L818 HydrophobicContact CD1-CD1 4.15Å; L792-L818 HydrophobicContact CD2-CD1 4.2Å; L792-L818 HydrophobicContact CG-CD1 4.4Å; L792-V827 HydrophobicContact CD2-CG1 4.27Å; L792-I828 HydrophobicContact CD2-CD1 3.41Å; L792-I828 VanDerWaalsContact CD2-CD1 3.41Å; L792-C831 HydrophobicContact CD2-CB 3.74Å; L792-C831 HydrophobicContact CG-CB 4.3Å; L792-L843 HydrophobicContact CD1-CD1 4.14Å; L792-L843 HydrophobicContact CD2-CD1 4.32Å; L792-L843 HydrophobicContact CG-CD1 4.47Å |
| 793 | H | 94.2 | Very high | 90.8 | Very high | 54 Ų | 54 | 37.3 Ų | 37.3 | 25% | 0.25 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.3 | -46.6 | 179.4 | -172.5 | -53.8 | 0 | 0 | 0 | 111.6 | E789 V795 L796 E797 T835 | E789-H793 VanDerWaalsContact O-CB 3.27Å; E789-H793 WeakPolarHBondContact O-CB 3.48Å; E789-H793 PolarHBondContact O-N 2.66Å; H793-V795 VanDerWaalsContact C-N 3.29Å; H793-V795 PolarHBondContact O-N 2.9Å; H793-L796 PolarHBondContact O-N 3.3Å; H793-E797 VanDerWaalsContact CE1-CG 3.42Å; H793-E797 WeakPolarHBondContact CE1-CG 3.31Å; H793-E797 IonicContact CE1-OE1 3.22Å; H793-E797 WeakPolarHBondContact ND1-CG 3.32Å; H793-E797 WeakPolarHBondContact O-CB 3.44Å; H793-E797 WeakPolarHBondContact O-CG 3.38Å; H793-E797 PolarHBondContact O-N 2.88Å; H793-T835 VanDerWaalsContact CD2-CG2 3.5Å; H793-T835 WeakPolarHBondContact CD2-CG2 3.42Å |
| 794 | S | 91.9 | Very high | 90.2 | Very high | 25 Ų | 25 | 41.2 Ų | 41.2 | 18% | 0.175 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63 | -34.1 | -179.9 | 172.9 | 0 | 0 | 0 | 0 | 112.8 | K760 L790 E798 | K760-S794 PolarHBondContact NZ-O 2.81Å; K760-S794 PolarHBondContact NZ-OG 2.83Å; L790-S794 WeakPolarHBondContact O-CB 3.35Å; L790-S794 PolarHBondContact O-N 2.79Å; S794-E798 WeakPolarHBondContact O-CG 3.35Å; S794-E798 PolarHBondContact O-N 2.92Å |
| 795 | V | 94.2 | Very high | 89.1 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.012 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -79.9 | -39.7 | 177.1 | 174.5 | 0 | 0 | 0 | 0 | 111 | K760 L791 L792 H793 E799 L810 L811 V814 | K760-V795 HydrophobicContact CD-CG2 3.91Å; K760-V795 HydrophobicContact CG-CG2 4.08Å; L791-V795 WeakPolarHBondContact O-CG2 3.4Å; L791-V795 PolarHBondContact O-N 2.97Å; L792-V795 PolarHBondContact O-N 2.91Å; H793-V795 VanDerWaalsContact C-N 3.29Å; H793-V795 PolarHBondContact O-N 2.9Å; V795-E799 HydrophobicContact CG1-CG 4.35Å; V795-E799 WeakPolarHBondContact O-CB 3.36Å; V795-E799 WeakPolarHBondContact O-CG 3.43Å; V795-E799 PolarHBondContact O-N 2.96Å; V795-L810 HydrophobicContact CG1-CB 4.09Å; V795-L810 HydrophobicContact CG1-CD2 4.49Å; V795-L810 HydrophobicContact CG1-CG 4.33Å; V795-L810 HydrophobicContact CG2-CD2 4.06Å; V795-L811 HydrophobicContact CG1-CB 4.1Å; V795-V814 HydrophobicContact CG1-CG2 4.45Å; V795-V814 HydrophobicContact CG2-CG2 4.2Å |
| 796 | L | 93.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.7 | -42.1 | 178 | -174.9 | 67.6 | 0 | 0 | 0 | 112.5 | L792 H793 G800 L811 T835 L839 Y842 L843 | L792-L796 WeakPolarHBondContact O-CB 3.48Å; L792-L796 PolarHBondContact O-N 3.38Å; H793-L796 PolarHBondContact O-N 3.3Å; L796-G800 WeakPolarHBondContact O-CA 3.34Å; L796-G800 PolarHBondContact O-N 2.96Å; L796-L811 HydrophobicContact CD1-CD2 3.8Å; L796-T835 HydrophobicContact CD2-CG2 4.07Å; L796-L839 HydrophobicContact CD2-CB 4.22Å; L796-L839 HydrophobicContact CG-CB 4.28Å; L796-L839 HydrophobicContact CG-CD1 4.31Å; L796-Y842 HydrophobicContact CD1-CD1 3.85Å; L796-L843 HydrophobicContact CD1-CB 4.08Å; L796-L843 HydrophobicContact CD2-CB 4.14Å; L796-L843 HydrophobicContact CD2-CD1 4.4Å; L796-L843 HydrophobicContact CD2-CD2 4.23Å; L796-L843 HydrophobicContact CD2-CG 4.49Å |
| 797 | E | 89.7 | Confident | 87.2 | Confident | 53 Ų | 53 | 50.4 Ų | 50.4 | 25% | 0.248 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.7 | -47.6 | 176.8 | -73.2 | -62.1 | 145.7 | 0 | 0 | 112.3 | H793 E799 G800 T801 L839 | H793-E797 VanDerWaalsContact CE1-CG 3.42Å; H793-E797 WeakPolarHBondContact CE1-CG 3.31Å; H793-E797 IonicContact CE1-OE1 3.22Å; H793-E797 WeakPolarHBondContact ND1-CG 3.32Å; H793-E797 WeakPolarHBondContact O-CB 3.44Å; H793-E797 WeakPolarHBondContact O-CG 3.38Å; H793-E797 PolarHBondContact O-N 2.88Å; E797-E799 PolarHBondContact O-N 2.82Å; E797-G800 PolarHBondContact O-N 3.24Å; E797-T801 WeakPolarHBondContact O-CB 3.14Å; E797-T801 WeakPolarHBondContact O-CG2 3.47Å; E797-T801 PolarHBondContact O-N 3.44Å; E797-T801 PolarHBondContact O-OG1 3.12Å; E797-L839 WeakPolarHBondContact OE1-CD1 3.45Å |
| 798 | E | 87.5 | Confident | 86.7 | Confident | 109 Ų | 109 | 55.3 Ų | 55.3 | 51% | 0.509 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.8 | -38.6 | -180 | -79.6 | 174.3 | -150.7 | 0 | 0 | 112.8 | K760 S794 | K760-E798 WeakPolarHBondContact CE-OE2 3.39Å; K760-E798 IonicContact NZ-OE1 3.23Å; K760-E798 PolarHBondContact NZ-OE1 3.33Å; K760-E798 IonicContact NZ-OE2 2.83Å; K760-E798 PolarHBondContact NZ-OE2 3.09Å; S794-E798 WeakPolarHBondContact O-CG 3.35Å; S794-E798 PolarHBondContact O-N 2.92Å |
| 799 | E | 90.1 | Very high | 86.2 | Confident | 27 Ų | 27 | 57.4 Ų | 57.4 | 13% | 0.126 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -80.1 | -36.1 | 178 | -64.3 | -174.8 | 179.9 | 0 | 0 | 112.3 | V795 E797 C802 I806 L810 L811 Y842 | V795-E799 HydrophobicContact CG1-CG 4.35Å; V795-E799 WeakPolarHBondContact O-CB 3.36Å; V795-E799 WeakPolarHBondContact O-CG 3.43Å; V795-E799 PolarHBondContact O-N 2.96Å; E797-E799 PolarHBondContact O-N 2.82Å; E799-C802 PolarHBondContact O-N 2.87Å; E799-I806 HydrophobicContact CB-CD1 4.09Å; E799-I806 HydrophobicContact CG-CD1 3.8Å; E799-L810 WeakPolarHBondContact OE1-CA 2.97Å; E799-L810 WeakPolarHBondContact OE1-CB 3.48Å; E799-L810 PolarHBondContact OE1-N 3.46Å; E799-L811 PolarHBondContact OE1-N 3.39Å; E799-L811 WeakPolarHBondContact OE2-CB 3.14Å; E799-L811 PolarHBondContact OE2-N 3.03Å; E799-Y842 HydrophobicContact CB-CE1 4.05Å; E799-Y842 PolarHBondContact OE2-OH 3.49Å |
| 800 | G | 82.4 | Confident | 86.1 | Confident | 30 Ų | 30 | 57.7 Ų | 57.7 | 31% | 0.309 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -75 | -27.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | L796 E797 | L796-G800 WeakPolarHBondContact O-CA 3.34Å; L796-G800 PolarHBondContact O-N 2.96Å; E797-G800 PolarHBondContact O-N 3.24Å |
| 801 | T | 82.4 | Confident | 86.1 | Confident | 104 Ų | 104 | 55.4 Ų | 55.4 | 64% | 0.638 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -2.4 | 175.7 | 59.7 | 0 | 0 | 0 | 0 | 113.6 | E797 | E797-T801 WeakPolarHBondContact O-CB 3.14Å; E797-T801 WeakPolarHBondContact O-CG2 3.47Å; E797-T801 PolarHBondContact O-N 3.44Å; E797-T801 PolarHBondContact O-OG1 3.12Å |
| 802 | C | 81.6 | Confident | 86 | Confident | 60 Ų | 60 | 58.1 Ų | 58.1 | 41% | 0.405 | 35% | 0.347 | S | S | . | . | trans | -73.1 | 130.3 | -179 | -158.7 | 0 | 0 | 0 | 0 | 111.6 | E799 D804 I806 | E799-C802 PolarHBondContact O-N 2.87Å; C802-D804 VanDerWaalsContact C-N 3.31Å; C802-D804 PolarHBondContact SG-O 3.17Å; C802-I806 HydrophobicContact CB-CD1 3.83Å; C802-I806 HydrophobicContact CB-CG1 4.16Å | ||
| 803 | S | 77 | Confident | 85.9 | Confident | 109 Ų | 109 | 61.3 Ų | 61.3 | 76% | 0.762 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -71.2 | -26.7 | 178 | 48.2 | 0 | 0 | 0 | 0 | 113.6 | ||
| 804 | D | 74.8 | Confident | 86 | Confident | 111 Ų | 111 | 58.8 Ų | 58.8 | 59% | 0.594 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -116.7 | 142.5 | -170.7 | -64.9 | -77.4 | 0 | 0 | 0 | 110.7 | C802 I806 | C802-D804 VanDerWaalsContact C-N 3.31Å; C802-D804 PolarHBondContact SG-O 3.17Å; D804-I806 PolarHBondContact O-N 2.64Å |
| 805 | P | 71.7 | Confident | 86.2 | Confident | 127 Ų | 127 | 57.7 Ų | 57.7 | 83% | 0.825 | 34% | 0.339 | S | S | * | . | trans | -65.8 | 111.4 | -178.5 | 26.4 | -33.8 | 0 | 0 | 0 | 111 | ||||
| 806 | I | 74.9 | Confident | 86.2 | Confident | 71 Ų | 71 | 62.5 Ų | 62.5 | 36% | 0.364 | 36% | 0.362 | S | S | . | . | trans | -66.4 | 126.2 | -177.7 | -61.2 | 168.1 | 0 | 0 | 0 | 110.2 | E799 C802 D804 D808 | E799-I806 HydrophobicContact CB-CD1 4.09Å; E799-I806 HydrophobicContact CG-CD1 3.8Å; C802-I806 HydrophobicContact CB-CD1 3.83Å; C802-I806 HydrophobicContact CB-CG1 4.16Å; D804-I806 PolarHBondContact O-N 2.64Å; I806-D808 PolarHBondContact O-N 3.16Å | ||
| 807 | P | 72.4 | Confident | 86.3 | Confident | 119 Ų | 119 | 63.2 Ų | 63.2 | 77% | 0.773 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -71.7 | 125.7 | 171.8 | 29 | -32.8 | 0 | 0 | 0 | 110.7 | ||
| 808 | D | 82.9 | Confident | 86.6 | Confident | 102 Ų | 102 | 60.7 Ų | 60.7 | 55% | 0.545 | 35% | 0.353 | S | S | . | . | S | Bend | trans | 58.5 | 75.8 | -172.6 | -167 | 40.9 | 0 | 0 | 0 | 113.6 | I806 L810 R813 | I806-D808 PolarHBondContact O-N 3.16Å; D808-L810 PolarHBondContact O-N 3.34Å; D808-R813 VanDerWaalsContact CG-NH2 3.28Å; D808-R813 IonicContact OD1-NH2 2.66Å; D808-R813 PolarHBondContact OD1-NH2 2.97Å; D808-R813 IonicContact OD2-CZ 3.37Å; D808-R813 IonicContact OD2-NH1 2.96Å; D808-R813 PolarHBondContact OD2-NH1 3.35Å; D808-R813 IonicContact OD2-NH2 3.1Å; D808-R813 PolarHBondContact OD2-NH2 3.39Å |
| 809 | P | 86.7 | Confident | 87 | Confident | 46 Ų | 46 | 61.1 Ų | 61.1 | 30% | 0.299 | 35% | 0.35 | S | S | . | . | trans | -61.1 | 137.8 | 176.8 | 26.7 | -34.6 | 0 | 0 | 0 | 111.2 | P812 | P809-P812 HydrophobicContact CG-CG 4.44Å; P809-P812 WeakPolarHBondContact O-CD 3.37Å | ||
| 810 | L | 93 | Very high | 87.2 | Confident | 14 Ų | 14 | 65.8 Ų | 65.8 | 7% | 0.073 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -82.3 | -26.2 | -177.9 | -173.5 | 60.5 | 0 | 0 | 0 | 111.9 | K760 L763 K764 V795 E799 D808 R813 V814 | K760-L810 HydrophobicContact CG-CD2 4.1Å; L763-L810 HydrophobicContact CB-CD1 3.95Å; K764-L810 HydrophobicContact CB-CD1 4.42Å; K764-L810 HydrophobicContact CB-CD2 4.08Å; V795-L810 HydrophobicContact CG1-CB 4.09Å; V795-L810 HydrophobicContact CG1-CD2 4.49Å; V795-L810 HydrophobicContact CG1-CG 4.33Å; V795-L810 HydrophobicContact CG2-CD2 4.06Å; E799-L810 WeakPolarHBondContact OE1-CA 2.97Å; E799-L810 WeakPolarHBondContact OE1-CB 3.48Å; E799-L810 PolarHBondContact OE1-N 3.46Å; D808-L810 PolarHBondContact O-N 3.34Å; L810-R813 HydrophobicContact CD1-CB 4.33Å; L810-R813 WeakPolarHBondContact O-CB 3.33Å; L810-R813 PolarHBondContact O-N 2.86Å; L810-V814 HydrophobicContact CG-CG2 3.96Å; L810-V814 PolarHBondContact O-N 3.13Å |
| 811 | L | 94.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -52.9 | -46.1 | -177.8 | -179.4 | 66.8 | 0 | 0 | 0 | 113.9 | L792 V795 L796 E799 R813 V814 V815 Y842 V846 | L792-L811 HydrophobicContact CD1-CD1 3.55Å; V795-L811 HydrophobicContact CG1-CB 4.1Å; L796-L811 HydrophobicContact CD1-CD2 3.8Å; E799-L811 PolarHBondContact OE1-N 3.39Å; E799-L811 WeakPolarHBondContact OE2-CB 3.14Å; E799-L811 PolarHBondContact OE2-N 3.03Å; L811-R813 VanDerWaalsContact C-N 3.31Å; L811-R813 PolarHBondContact O-N 3.15Å; L811-V814 PolarHBondContact O-N 2.95Å; L811-V815 HydrophobicContact CD1-CG2 4.14Å; L811-V815 HydrophobicContact CG-CG2 4.41Å; L811-V815 WeakPolarHBondContact O-CG2 3.16Å; L811-V815 PolarHBondContact O-N 2.92Å; L811-Y842 HydrophobicContact CB-CE1 4.39Å; L811-Y842 HydrophobicContact CD2-CD1 3.64Å; L811-Y842 HydrophobicContact CD2-CE1 3.4Å; L811-Y842 VanDerWaalsContact CD2-CE1 3.4Å; L811-Y842 HydrophobicContact CD2-CG 4.43Å; L811-V846 HydrophobicContact CD2-CG2 4.08Å; L811-V846 HydrophobicContact CG-CG2 4.4Å |
| 812 | P | 93.8 | Very high | 88.3 | Confident | 58 Ų | 58 | 62.5 Ų | 62.5 | 38% | 0.377 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -58.3 | -38.8 | 174.5 | -25.2 | 35.6 | 0 | 0 | 0 | 114.1 | P809 V815 E816 V846 | P809-P812 HydrophobicContact CG-CG 4.44Å; P809-P812 WeakPolarHBondContact O-CD 3.37Å; P812-V815 PolarHBondContact O-N 3.45Å; P812-E816 PolarHBondContact O-N 3.11Å; P812-V846 HydrophobicContact CB-CG1 4.1Å; P812-V846 HydrophobicContact CG-CG1 4.16Å; P812-V846 HydrophobicContact CG-CG2 4.37Å |
| 813 | R | 94.2 | Very high | 88.8 | Confident | 67 Ų | 67 | 61.4 Ų | 61.4 | 25% | 0.253 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -72.1 | -33.2 | 179.4 | -164.7 | 176.4 | -64 | 141.4 | 9.3 | 111.6 | L763 N766 D808 L810 L811 F817 | L763-R813 HydrophobicContact CD2-CG 4.46Å; L763-R813 WeakPolarHBondContact O-CD 3.5Å; L763-R813 PolarHBondContact O-NH1 2.7Å; N766-R813 PolarHBondContact OD1-NE 2.77Å; N766-R813 PolarHBondContact OD1-NH1 3.32Å; N766-R813 VanDerWaalsContact OD1-NH1 3.11Å; D808-R813 VanDerWaalsContact CG-NH2 3.28Å; D808-R813 IonicContact OD1-NH2 2.66Å; D808-R813 PolarHBondContact OD1-NH2 2.97Å; D808-R813 IonicContact OD2-CZ 3.37Å; D808-R813 IonicContact OD2-NH1 2.96Å; D808-R813 PolarHBondContact OD2-NH1 3.35Å; D808-R813 IonicContact OD2-NH2 3.1Å; D808-R813 PolarHBondContact OD2-NH2 3.39Å; L810-R813 HydrophobicContact CD1-CB 4.33Å; L810-R813 WeakPolarHBondContact O-CB 3.33Å; L810-R813 PolarHBondContact O-N 2.86Å; L811-R813 VanDerWaalsContact C-N 3.31Å; L811-R813 PolarHBondContact O-N 3.15Å; R813-F817 VanDerWaalsContact O-CB 3.27Å; R813-F817 WeakPolarHBondContact O-CB 3.25Å; R813-F817 PolarHBondContact O-N 2.8Å |
| 814 | V | 96.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -69.7 | -44.7 | 171.9 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | L763 L791 L792 V795 L810 L811 E816 F817 L818 | L763-V814 HydrophobicContact CD1-CG2 3.98Å; L791-V814 HydrophobicContact CD2-CG1 4.24Å; L791-V814 HydrophobicContact CG-CG1 3.99Å; L792-V814 HydrophobicContact CD1-CG1 4.27Å; V795-V814 HydrophobicContact CG1-CG2 4.45Å; V795-V814 HydrophobicContact CG2-CG2 4.2Å; L810-V814 HydrophobicContact CG-CG2 3.96Å; L810-V814 PolarHBondContact O-N 3.13Å; L811-V814 PolarHBondContact O-N 2.95Å; V814-E816 VanDerWaalsContact C-N 3.35Å; V814-E816 PolarHBondContact O-N 3.24Å; V814-F817 WeakPolarHBondContact O-CB 3.1Å; V814-F817 PolarHBondContact O-N 3.34Å; V814-L818 HydrophobicContact CG1-CD1 3.94Å; V814-L818 HydrophobicContact CG1-CG 4.29Å; V814-L818 WeakPolarHBondContact O-CB 3.04Å; V814-L818 VanDerWaalsContact O-CG 3.24Å; V814-L818 WeakPolarHBondContact O-CG 3.46Å; V814-L818 PolarHBondContact O-N 2.87Å |
| 815 | V | 96 | Very high | 90.5 | Very high | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.012 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.5 | -41.8 | 177.9 | 169.3 | 0 | 0 | 0 | 0 | 111.4 | L792 L811 P812 L818 R819 F824 V846 T847 | L792-V815 HydrophobicContact CD1-CG2 4.28Å; L811-V815 HydrophobicContact CD1-CG2 4.14Å; L811-V815 HydrophobicContact CG-CG2 4.41Å; L811-V815 WeakPolarHBondContact O-CG2 3.16Å; L811-V815 PolarHBondContact O-N 2.92Å; P812-V815 PolarHBondContact O-N 3.45Å; V815-L818 PolarHBondContact O-N 2.62Å; V815-R819 WeakPolarHBondContact O-CG 3.28Å; V815-R819 PolarHBondContact O-N 3.12Å; V815-F824 HydrophobicContact CG1-CE2 4.3Å; V815-V846 HydrophobicContact CB-CG1 3.84Å; V815-V846 HydrophobicContact CG1-CG1 4.12Å; V815-V846 HydrophobicContact CG2-CB 4.47Å; V815-V846 HydrophobicContact CG2-CG1 3.75Å; V815-T847 HydrophobicContact CG1-CG2 4.01Å; V815-T847 HydrophobicContact CG2-CG2 3.82Å |
| 816 | E | 94.4 | Very high | 91.6 | Very high | 103 Ų | 103 | 48.8 Ų | 48.8 | 48% | 0.481 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.9 | -42.4 | 175.4 | -161.5 | 67.9 | 179.7 | 0 | 0 | 111.7 | P812 V814 L818 R819 | P812-E816 PolarHBondContact O-N 3.11Å; V814-E816 VanDerWaalsContact C-N 3.35Å; V814-E816 PolarHBondContact O-N 3.24Å; E816-L818 VanDerWaalsContact C-N 3.29Å; E816-L818 PolarHBondContact O-N 2.77Å; E816-R819 WeakPolarHBondContact O-CB 3.44Å; E816-R819 PolarHBondContact O-N 3.48Å; E816-R819 WeakPolarHBondContact OE2-CD 3.47Å; E816-R819 IonicContact OE2-CZ 2.78Å; E816-R819 IonicContact OE2-NE 3.33Å; E816-R819 IonicContact OE2-NH1 2.72Å; E816-R819 PolarHBondContact OE2-NH1 3.38Å |
| 817 | F | 96.3 | Very high | 92.6 | Very high | 16 Ų | 16 | 45.4 Ų | 45.4 | 7% | 0.07 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.7 | -39.5 | 172.3 | 170.6 | -93.9 | 0 | 0 | 0 | 112.9 | L759 L763 A771 W772 A775 L788 L791 R813 V814 R819 F821 | L759-F817 HydrophobicContact CD1-CE1 4.21Å; L759-F817 HydrophobicContact CD1-CZ 4.15Å; L759-F817 HydrophobicContact CD2-CZ 4.14Å; L763-F817 HydrophobicContact CD1-CB 4.19Å; L763-F817 HydrophobicContact CD1-CD1 4.02Å; L763-F817 HydrophobicContact CD1-CD2 4.32Å; L763-F817 HydrophobicContact CD1-CE1 4.5Å; L763-F817 HydrophobicContact CD1-CG 3.91Å; L763-F817 HydrophobicContact CD2-CB 4.05Å; L763-F817 HydrophobicContact CD2-CD2 3.92Å; L763-F817 HydrophobicContact CD2-CG 4.07Å; A771-F817 HydrophobicContact CB-CE2 3.92Å; A771-F817 HydrophobicContact CB-CZ 4.48Å; W772-F817 HydrophobicContact CB-CE2 4.1Å; A775-F817 HydrophobicContact CB-CZ 3.79Å; L788-F817 HydrophobicContact CD2-CE1 4.3Å; L791-F817 HydrophobicContact CD2-CD1 4.13Å; L791-F817 HydrophobicContact CD2-CE1 3.96Å; R813-F817 VanDerWaalsContact O-CB 3.27Å; R813-F817 WeakPolarHBondContact O-CB 3.25Å; R813-F817 PolarHBondContact O-N 2.8Å; V814-F817 WeakPolarHBondContact O-CB 3.1Å; V814-F817 PolarHBondContact O-N 3.34Å; F817-R819 VanDerWaalsContact C-N 3.33Å; F817-R819 PolarHBondContact O-N 2.75Å; F817-F821 HydrophobicContact CD1-CE2 4.31Å; F817-F821 AromaticContact CE1-CE2 3.83Å; F817-F821 HydrophobicContact CE1-CE2 3.83Å; F817-F821 HydrophobicContact CE2-CE2 4.09Å; F817-F821 AromaticContact CZ-CE2 3.71Å; F817-F821 HydrophobicContact CZ-CE2 3.71Å; F817-F821 HydrophobicContact CZ-CZ 4.15Å; F817-F821 WeakPolarHBondContact O-CD2 3.43Å; F817-F821 WeakPolarHBondContact O-CE2 3.39Å |
| 818 | L | 96.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -70.1 | -27.3 | 179.5 | -70.8 | 172.7 | 0 | 0 | 0 | 112.9 | L788 L792 V814 V815 E816 E820 F821 F824 V827 I828 | L788-L818 HydrophobicContact CB-CD2 3.7Å; L788-L818 HydrophobicContact CD1-CD2 3.97Å; L788-L818 HydrophobicContact CD2-CD2 3.8Å; L788-L818 HydrophobicContact CG-CD2 4.02Å; L792-L818 HydrophobicContact CB-CD1 4.1Å; L792-L818 HydrophobicContact CD1-CD1 4.15Å; L792-L818 HydrophobicContact CD2-CD1 4.2Å; L792-L818 HydrophobicContact CG-CD1 4.4Å; V814-L818 HydrophobicContact CG1-CD1 3.94Å; V814-L818 HydrophobicContact CG1-CG 4.29Å; V814-L818 WeakPolarHBondContact O-CB 3.04Å; V814-L818 VanDerWaalsContact O-CG 3.24Å; V814-L818 WeakPolarHBondContact O-CG 3.46Å; V814-L818 PolarHBondContact O-N 2.87Å; V815-L818 PolarHBondContact O-N 2.62Å; E816-L818 VanDerWaalsContact C-N 3.29Å; E816-L818 PolarHBondContact O-N 2.77Å; L818-E820 PolarHBondContact O-N 3.3Å; L818-F821 PolarHBondContact O-N 3.33Å; L818-F821 VanDerWaalsContact O-N 3.13Å; L818-F824 HydrophobicContact CB-CD2 3.85Å; L818-F824 HydrophobicContact CB-CE2 4.38Å; L818-F824 WeakPolarHBondContact O-CB 3.41Å; L818-V827 HydrophobicContact CD1-CG1 4.26Å; L818-V827 HydrophobicContact CD2-CG1 4.46Å; L818-I828 HydrophobicContact CD1-CD1 4.44Å |
| 819 | R | 94.6 | Very high | 94.2 | Very high | 118 Ų | 118 | 34.9 Ų | 34.9 | 45% | 0.445 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -64.4 | -23.9 | 178.5 | -75.6 | 172.5 | 175 | 168.9 | -1.7 | 113.6 | V815 E816 F817 F821 F824 | V815-R819 WeakPolarHBondContact O-CG 3.28Å; V815-R819 PolarHBondContact O-N 3.12Å; E816-R819 WeakPolarHBondContact O-CB 3.44Å; E816-R819 PolarHBondContact O-N 3.48Å; E816-R819 WeakPolarHBondContact OE2-CD 3.47Å; E816-R819 IonicContact OE2-CZ 2.78Å; E816-R819 IonicContact OE2-NE 3.33Å; E816-R819 IonicContact OE2-NH1 2.72Å; E816-R819 PolarHBondContact OE2-NH1 3.38Å; F817-R819 VanDerWaalsContact C-N 3.33Å; F817-R819 PolarHBondContact O-N 2.75Å; R819-F821 PolarHBondContact O-N 2.93Å; R819-F824 HydrophobicContact CG-CD2 3.97Å; R819-F824 HydrophobicContact CG-CE1 4.29Å; R819-F824 HydrophobicContact CG-CE2 3.68Å; R819-F824 HydrophobicContact CG-CG 4.4Å; R819-F824 HydrophobicContact CG-CZ 3.87Å |
| 820 | E | 94.4 | Very high | 94.5 | Very high | 125 Ų | 125 | 34.9 Ų | 34.9 | 58% | 0.584 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -14.4 | 175.2 | -63.2 | -61.3 | 144.7 | 0 | 0 | 113.2 | L818 | L818-E820 PolarHBondContact O-N 3.3Š|
| 821 | F | 95.2 | Very high | 94.6 | Very high | 7 Ų | 7 | 34.2 Ų | 34.2 | 3% | 0.031 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -106.8 | 132.5 | -178.6 | -61.8 | -79.8 | 0 | 0 | 0 | 110.9 | A775 F784 L788 F817 L818 R819 E823 F824 | A775-F821 HydrophobicContact CB-CE1 4.15Å; A775-F821 HydrophobicContact CB-CE2 4.37Å; A775-F821 HydrophobicContact CB-CZ 3.59Å; F784-F821 AromaticContact CE1-CD1 3.91Å; F784-F821 HydrophobicContact CE1-CD1 3.91Å; F784-F821 HydrophobicContact CE1-CE1 4.31Å; F784-F821 HydrophobicContact CE1-CG 4.48Å; F784-F821 AromaticContact CZ-CD1 3.92Å; F784-F821 HydrophobicContact CZ-CD1 3.92Å; F784-F821 AromaticContact CZ-CE1 3.86Å; F784-F821 HydrophobicContact CZ-CE1 3.86Å; F784-F821 HydrophobicContact CZ-CZ 4.48Å; L788-F821 HydrophobicContact CD1-CB 4.11Å; L788-F821 HydrophobicContact CD1-CD2 4.35Å; L788-F821 HydrophobicContact CD1-CG 4.15Å; F817-F821 HydrophobicContact CD1-CE2 4.31Å; F817-F821 AromaticContact CE1-CE2 3.83Å; F817-F821 HydrophobicContact CE1-CE2 3.83Å; F817-F821 HydrophobicContact CE2-CE2 4.09Å; F817-F821 AromaticContact CZ-CE2 3.71Å; F817-F821 HydrophobicContact CZ-CE2 3.71Å; F817-F821 HydrophobicContact CZ-CZ 4.15Å; F817-F821 WeakPolarHBondContact O-CD2 3.43Å; F817-F821 WeakPolarHBondContact O-CE2 3.39Å; L818-F821 PolarHBondContact O-N 3.33Å; L818-F821 VanDerWaalsContact O-N 3.13Å; R819-F821 PolarHBondContact O-N 2.93Å; F821-E823 PolarHBondContact O-N 3.14Å; F821-E823 VanDerWaalsContact O-N 3.11Å; F821-F824 VanDerWaalsContact O-CB 3.26Å; F821-F824 WeakPolarHBondContact O-CB 3.25Å; F821-F824 PolarHBondContact O-N 2.85Å |
| 822 | P | 92.1 | Very high | 94.5 | Very high | 58 Ų | 58 | 34.2 Ų | 34.2 | 38% | 0.377 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -19.6 | 179.8 | 27.4 | -34.9 | 0 | 0 | 0 | 112.5 | F824 R862 | P822-F824 PolarHBondContact O-N 3.1Å; P822-R862 PolarHBondContact O-NH1 3.47Å; P822-R862 PolarHBondContact O-NH2 3.11Å |
| 823 | E | 92.4 | Very high | 94.4 | Very high | 37 Ų | 37 | 37.6 Ų | 37.6 | 17% | 0.173 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -11.6 | 174.1 | -61 | 76 | -164.8 | 0 | 0 | 113.3 | R779 F821 L825 Q826 V827 | R779-E823 IonicContact CZ-OE1 2.69Å; R779-E823 VanDerWaalsContact CZ-OE1 3.26Å; R779-E823 IonicContact CZ-OE2 3.03Å; R779-E823 IonicContact NE-OE1 2.71Å; R779-E823 PolarHBondContact NE-OE1 3.05Å; R779-E823 IonicContact NE-OE2 3.58Å; R779-E823 PolarHBondContact NE-OE2 3.33Å; R779-E823 IonicContact NH2-OE1 3.06Å; R779-E823 PolarHBondContact NH2-OE1 2.86Å; R779-E823 IonicContact NH2-OE2 2.7Å; F821-E823 PolarHBondContact O-N 3.14Å; F821-E823 VanDerWaalsContact O-N 3.11Å; E823-L825 PolarHBondContact O-N 3.15Å; E823-Q826 WeakPolarHBondContact O-CB 3.28Å; E823-Q826 PolarHBondContact O-N 2.97Å; E823-V827 HydrophobicContact CB-CG2 4.23Å; E823-V827 WeakPolarHBondContact O-CG2 3.3Å; E823-V827 PolarHBondContact O-N 3.21Å |
| 824 | F | 94.9 | Very high | 94.2 | Very high | 23 Ų | 23 | 40.2 Ų | 40.2 | 10% | 0.101 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -37.1 | -59.8 | -177.6 | 174.2 | -109.8 | 0 | 0 | 0 | 114.8 | V815 L818 R819 F821 P822 Q826 V827 I828 L853 | V815-F824 HydrophobicContact CG1-CE2 4.3Å; L818-F824 HydrophobicContact CB-CD2 3.85Å; L818-F824 HydrophobicContact CB-CE2 4.38Å; L818-F824 WeakPolarHBondContact O-CB 3.41Å; R819-F824 HydrophobicContact CG-CD2 3.97Å; R819-F824 HydrophobicContact CG-CE1 4.29Å; R819-F824 HydrophobicContact CG-CE2 3.68Å; R819-F824 HydrophobicContact CG-CG 4.4Å; R819-F824 HydrophobicContact CG-CZ 3.87Å; F821-F824 VanDerWaalsContact O-CB 3.26Å; F821-F824 WeakPolarHBondContact O-CB 3.25Å; F821-F824 PolarHBondContact O-N 2.85Å; P822-F824 PolarHBondContact O-N 3.1Å; F824-Q826 PolarHBondContact O-N 2.99Å; F824-V827 PolarHBondContact O-N 2.83Å; F824-I828 HydrophobicContact CD2-CD1 4.33Å; F824-I828 HydrophobicContact CD2-CG1 4.15Å; F824-I828 HydrophobicContact CE1-CG1 4.49Å; F824-I828 HydrophobicContact CE2-CD1 3.88Å; F824-I828 HydrophobicContact CE2-CG1 3.76Å; F824-I828 HydrophobicContact CZ-CD1 4.44Å; F824-I828 HydrophobicContact CZ-CG1 3.94Å; F824-I828 WeakPolarHBondContact O-CG1 3.39Å; F824-I828 PolarHBondContact O-N 2.56Å; F824-L853 HydrophobicContact CE1-CD2 4.3Å |
| 825 | L | 94.3 | Very high | 93.8 | Very high | 4 Ų | 4 | 40.7 Ų | 40.7 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61 | -34.2 | -173.5 | -64.7 | 174 | 0 | 0 | 0 | 112.5 | E823 A829 L853 L856 T865 Y869 | E823-L825 PolarHBondContact O-N 3.15Å; L825-A829 PolarHBondContact O-N 3.36Å; L825-L853 HydrophobicContact CD2-CD2 3.93Å; L825-L856 HydrophobicContact CD1-CD2 4.31Å; L825-L856 HydrophobicContact CD1-CG 4.22Å; L825-L856 HydrophobicContact CD2-CD2 4.05Å; L825-T865 HydrophobicContact CB-CG2 4.11Å; L825-T865 WeakPolarHBondContact O-CG2 3.42Å; L825-Y869 HydrophobicContact CB-CE2 4.45Å; L825-Y869 WeakPolarHBondContact O-CE2 3.39Å; L825-Y869 PolarHBondContact O-OH 2.7Å |
| 826 | Q | 94 | Very high | 93.3 | Very high | 54 Ų | 54 | 47.3 Ų | 47.3 | 25% | 0.252 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -77.3 | -42.9 | -179.4 | -172.4 | 172 | -26 | 0 | 0 | 111.2 | E785 E823 F824 I828 A829 H830 T865 | E785-Q826 WeakPolarHBondContact OE1-CG 3.28Å; E785-Q826 PolarHBondContact OE1-NE2 2.66Å; E785-Q826 PolarHBondContact OE2-NE2 2.96Å; E823-Q826 WeakPolarHBondContact O-CB 3.28Å; E823-Q826 PolarHBondContact O-N 2.97Å; F824-Q826 PolarHBondContact O-N 2.99Å; Q826-I828 PolarHBondContact O-N 2.62Å; Q826-A829 PolarHBondContact O-N 2.93Å; Q826-H830 VanDerWaalsContact CG-CE1 3.41Å; Q826-H830 WeakPolarHBondContact CG-CE1 3.43Å; Q826-H830 WeakPolarHBondContact O-CB 3.45Å; Q826-H830 PolarHBondContact O-N 3.39Å; Q826-T865 HydrophobicContact CB-CG2 4.1Å |
| 827 | V | 95.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.7 | -46.9 | 174.6 | 171.6 | 0 | 0 | 0 | 0 | 111.8 | E785 L788 L792 L818 E823 F824 A829 C831 | E785-V827 HydrophobicContact CG-CG2 4.06Å; L788-V827 HydrophobicContact CB-CG1 4Å; L788-V827 HydrophobicContact CB-CG2 3.73Å; L788-V827 HydrophobicContact CD1-CG2 4.36Å; L792-V827 HydrophobicContact CD2-CG1 4.27Å; L818-V827 HydrophobicContact CD1-CG1 4.26Å; L818-V827 HydrophobicContact CD2-CG1 4.46Å; E823-V827 HydrophobicContact CB-CG2 4.23Å; E823-V827 WeakPolarHBondContact O-CG2 3.3Å; E823-V827 PolarHBondContact O-N 3.21Å; F824-V827 PolarHBondContact O-N 2.83Å; V827-A829 PolarHBondContact O-N 3.46Å; V827-C831 WeakPolarHBondContact O-CB 3.07Å; V827-C831 PolarHBondContact O-N 3.08Å |
| 828 | I | 96.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.2 | -45 | 177.3 | -58.4 | -45.6 | 0 | 0 | 0 | 111 | L792 L818 F824 Q826 A832 F844 T847 L853 Y869 | L792-I828 HydrophobicContact CD2-CD1 3.41Å; L792-I828 VanDerWaalsContact CD2-CD1 3.41Å; L818-I828 HydrophobicContact CD1-CD1 4.44Å; F824-I828 HydrophobicContact CD2-CD1 4.33Å; F824-I828 HydrophobicContact CD2-CG1 4.15Å; F824-I828 HydrophobicContact CE1-CG1 4.49Å; F824-I828 HydrophobicContact CE2-CD1 3.88Å; F824-I828 HydrophobicContact CE2-CG1 3.76Å; F824-I828 HydrophobicContact CZ-CD1 4.44Å; F824-I828 HydrophobicContact CZ-CG1 3.94Å; F824-I828 WeakPolarHBondContact O-CG1 3.39Å; F824-I828 PolarHBondContact O-N 2.56Å; Q826-I828 PolarHBondContact O-N 2.62Å; I828-A832 VanDerWaalsContact O-CB 3.31Å; I828-A832 WeakPolarHBondContact O-CB 3.33Å; I828-A832 PolarHBondContact O-N 3.07Å; I828-F844 HydrophobicContact CG2-CE1 4.24Å; I828-T847 HydrophobicContact CD1-CG2 3.72Å; I828-T847 HydrophobicContact CG1-CG2 4.11Å; I828-T847 HydrophobicContact CG2-CG2 4.1Å; I828-L853 HydrophobicContact CG2-CD1 4.3Å; I828-Y869 WeakPolarHBondContact CB-OH 3.39Å; I828-Y869 HydrophobicContact CG2-CE1 4.43Å |
| 829 | A | 93.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.2 | -42.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L825 Q826 V827 R833 T865 Y869 I872 | L825-A829 PolarHBondContact O-N 3.36Å; Q826-A829 PolarHBondContact O-N 2.93Å; V827-A829 PolarHBondContact O-N 3.46Å; A829-R833 WeakPolarHBondContact O-CG 3.26Å; A829-R833 PolarHBondContact O-N 2.99Å; A829-R833 VanDerWaalsContact O-N 3.09Å; A829-T865 HydrophobicContact CB-CG2 4.41Å; A829-Y869 HydrophobicContact CB-CD1 4.34Å; A829-Y869 HydrophobicContact CB-CD2 4.04Å; A829-Y869 HydrophobicContact CB-CE1 4.14Å; A829-Y869 HydrophobicContact CB-CE2 3.82Å; A829-Y869 HydrophobicContact CB-CG 4.28Å; A829-I872 HydrophobicContact CB-CD1 4.45Å |
| 830 | H | 93.4 | Very high | 91.8 | Very high | 46 Ų | 46 | 47.5 Ų | 47.5 | 21% | 0.213 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -72.1 | -36.1 | 179.7 | -66.4 | 170 | 0 | 0 | 0 | 112.3 | E785 E789 Q826 K834 | E785-H830 IonicContact OE1-CE1 2.9Å; E785-H830 PolarHBondContact OE1-CE1 2.83Å; E785-H830 IonicContact OE1-ND1 2.77Å; E785-H830 PolarHBondContact OE1-ND1 2.92Å; E789-H830 VanDerWaalsContact OE2-CB 3.26Å; E789-H830 WeakPolarHBondContact OE2-CB 3.42Å; Q826-H830 VanDerWaalsContact CG-CE1 3.41Å; Q826-H830 WeakPolarHBondContact CG-CE1 3.43Å; Q826-H830 WeakPolarHBondContact O-CB 3.45Å; Q826-H830 PolarHBondContact O-N 3.39Å; H830-K834 WeakPolarHBondContact O-CG 3.48Å; H830-K834 PolarHBondContact O-N 3.28Å |
| 831 | C | 94 | Very high | 91.5 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.1 | -51.2 | 170.4 | -174.7 | 0 | 0 | 0 | 0 | 111.4 | E789 L792 V827 R833 K834 T835 | E789-C831 HydrophobicContact CG-CB 4.25Å; L792-C831 HydrophobicContact CD2-CB 3.74Å; L792-C831 HydrophobicContact CG-CB 4.3Å; V827-C831 WeakPolarHBondContact O-CB 3.07Å; V827-C831 PolarHBondContact O-N 3.08Å; C831-R833 VanDerWaalsContact C-N 3.27Å; C831-R833 PolarHBondContact O-N 3.27Å; C831-K834 PolarHBondContact O-N 3.24Å; C831-T835 WeakPolarHBondContact O-CG2 3.4Å; C831-T835 PolarHBondContact O-N 2.99Å; C831-T835 PolarHBondContact O-OG1 3.2Å |
| 832 | A | 93.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.7 | -32.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | I828 K834 W840 L843 F844 I872 | I828-A832 VanDerWaalsContact O-CB 3.31Å; I828-A832 WeakPolarHBondContact O-CB 3.33Å; I828-A832 PolarHBondContact O-N 3.07Å; A832-K834 VanDerWaalsContact C-N 3.25Å; A832-K834 PolarHBondContact O-N 3.02Å; A832-W840 VanDerWaalsContact O-CE2 3.3Å; A832-W840 WeakPolarHBondContact O-CZ2 3.08Å; A832-W840 PolarHBondContact O-NE1 2.86Å; A832-L843 HydrophobicContact CB-CD2 3.92Å; A832-F844 HydrophobicContact CB-CZ 3.87Å; A832-I872 HydrophobicContact CB-CD1 3.68Å; A832-I872 HydrophobicContact CB-CG1 4.48Å |
| 833 | R | 90.9 | Very high | 91.3 | Very high | 130 Ų | 130 | 50.1 Ų | 50.1 | 49% | 0.491 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -15.4 | 174.4 | -77.5 | -175.2 | 64 | -172.7 | -1.5 | 114.5 | A829 C831 S868 I872 | A829-R833 WeakPolarHBondContact O-CG 3.26Å; A829-R833 PolarHBondContact O-N 2.99Å; A829-R833 VanDerWaalsContact O-N 3.09Å; C831-R833 VanDerWaalsContact C-N 3.27Å; C831-R833 PolarHBondContact O-N 3.27Å; R833-S868 PolarHBondContact NH1-OG 3.43Å; R833-S868 VanDerWaalsContact NH1-OG 3.13Å; R833-I872 HydrophobicContact CG-CD1 4.17Å; R833-I872 HydrophobicContact CG-CG1 3.96Å |
| 834 | K | 89.5 | Confident | 91.3 | Very high | 122 Ų | 122 | 49.4 Ų | 49.4 | 53% | 0.53 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | -17.9 | -179.1 | -71.6 | 168.8 | 175.3 | 167.4 | 0 | 113.2 | E789 H830 C831 A832 | E789-K834 IonicContact OE1-NZ 3.24Å; E789-K834 PolarHBondContact OE1-NZ 3.1Å; E789-K834 IonicContact OE2-NZ 3.76Å; E789-K834 PolarHBondContact OE2-NZ 3.05Å; H830-K834 WeakPolarHBondContact O-CG 3.48Å; H830-K834 PolarHBondContact O-N 3.28Å; C831-K834 PolarHBondContact O-N 3.24Å; A832-K834 VanDerWaalsContact C-N 3.25Å; A832-K834 PolarHBondContact O-N 3.02Å |
| 835 | T | 89.2 | Confident | 91.1 | Very high | 9 Ų | 9 | 55.6 Ų | 55.6 | 6% | 0.055 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -96 | 153.5 | -179.8 | 56.9 | 0 | 0 | 0 | 0 | 112.1 | H793 L796 C831 W840 | H793-T835 VanDerWaalsContact CD2-CG2 3.5Å; H793-T835 WeakPolarHBondContact CD2-CG2 3.42Å; L796-T835 HydrophobicContact CD2-CG2 4.07Å; C831-T835 WeakPolarHBondContact O-CG2 3.4Å; C831-T835 PolarHBondContact O-N 2.99Å; C831-T835 PolarHBondContact O-OG1 3.2Å; T835-W840 PolarHBondContact O-NE1 2.95Å; T835-W840 VanDerWaalsContact O-NE1 3.13Å |
| 836 | E | 86.1 | Confident | 91 | Very high | 142 Ų | 142 | 57 Ų | 57 | 66% | 0.664 | 27% | 0.271 | S | S | * | . | trans | -62.8 | 141 | -179.5 | -63.7 | -166.8 | 171.2 | 0 | 0 | 112.5 | A838 L839 W840 | E836-A838 PolarHBondContact O-N 3Å; E836-L839 PolarHBondContact O-N 2.89Å; E836-W840 VanDerWaalsContact O-CD1 3.26Å | ||
| 837 | M | 85.9 | Confident | 90.9 | Very high | 113 Ų | 113 | 54.7 Ų | 54.7 | 56% | 0.557 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -24.2 | -178.9 | -65.9 | -179.6 | 71.8 | 0 | 0 | 113.8 | L839 W840 | M837-L839 VanDerWaalsContact C-N 3.3Å; M837-L839 PolarHBondContact O-N 2.9Å; M837-W840 HydrophobicContact CB-CD2 4.38Å; M837-W840 HydrophobicContact CE-CH2 4.45Å; M837-W840 HydrophobicContact CE-CZ3 4.14Å; M837-W840 HydrophobicContact CG-CD2 4.33Å; M837-W840 HydrophobicContact CG-CE3 4.42Å; M837-W840 HydrophobicContact CG-CH2 4.03Å; M837-W840 HydrophobicContact CG-CZ2 3.9Å; M837-W840 HydrophobicContact CG-CZ3 4.28Å; M837-W840 WeakPolarHBondContact O-CB 3.36Å; M837-W840 PolarHBondContact O-N 3.27Å |
| 838 | A | 86 | Confident | 90.6 | Very high | 83 Ų | 83 | 56.1 Ų | 56.1 | 69% | 0.686 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -35.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | E836 | E836-A838 PolarHBondContact O-N 3Š|
| 839 | L | 88.4 | Confident | 90.3 | Very high | 19 Ų | 19 | 59.2 Ų | 59.2 | 10% | 0.099 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -17.4 | -176.8 | -58.7 | -173.1 | 0 | 0 | 0 | 113.2 | L796 E797 E836 M837 K841 Y842 L843 | L796-L839 HydrophobicContact CD2-CB 4.22Å; L796-L839 HydrophobicContact CG-CB 4.28Å; L796-L839 HydrophobicContact CG-CD1 4.31Å; E797-L839 WeakPolarHBondContact OE1-CD1 3.45Å; E836-L839 PolarHBondContact O-N 2.89Å; M837-L839 VanDerWaalsContact C-N 3.3Å; M837-L839 PolarHBondContact O-N 2.9Å; L839-K841 VanDerWaalsContact C-N 3.27Å; L839-K841 PolarHBondContact O-N 2.89Å; L839-Y842 WeakPolarHBondContact O-CB 3.26Å; L839-Y842 PolarHBondContact O-N 3.32Å; L839-L843 PolarHBondContact O-N 3.21Å; L839-L843 VanDerWaalsContact O-N 3.12Å |
| 840 | W | 90.1 | Very high | 90.2 | Very high | 25 Ų | 25 | 60 Ų | 60 | 10% | 0.095 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.5 | -35.6 | -175.3 | -70.7 | 12.1 | 0 | 0 | 0 | 113.6 | A832 T835 E836 M837 Y842 L843 F844 I872 S875 I876 | A832-W840 VanDerWaalsContact O-CE2 3.3Å; A832-W840 WeakPolarHBondContact O-CZ2 3.08Å; A832-W840 PolarHBondContact O-NE1 2.86Å; T835-W840 PolarHBondContact O-NE1 2.95Å; T835-W840 VanDerWaalsContact O-NE1 3.13Å; E836-W840 VanDerWaalsContact O-CD1 3.26Å; M837-W840 HydrophobicContact CB-CD2 4.38Å; M837-W840 HydrophobicContact CE-CH2 4.45Å; M837-W840 HydrophobicContact CE-CZ3 4.14Å; M837-W840 HydrophobicContact CG-CD2 4.33Å; M837-W840 HydrophobicContact CG-CE3 4.42Å; M837-W840 HydrophobicContact CG-CH2 4.03Å; M837-W840 HydrophobicContact CG-CZ2 3.9Å; M837-W840 HydrophobicContact CG-CZ3 4.28Å; M837-W840 WeakPolarHBondContact O-CB 3.36Å; M837-W840 PolarHBondContact O-N 3.27Å; W840-Y842 VanDerWaalsContact C-N 3.27Å; W840-Y842 PolarHBondContact O-N 3.3Å; W840-L843 PolarHBondContact O-N 3.49Å; W840-F844 HydrophobicContact CB-CD2 4.01Å; W840-F844 HydrophobicContact CB-CE2 3.86Å; W840-F844 HydrophobicContact CD2-CE2 4.28Å; W840-F844 HydrophobicContact CE3-CE2 4.32Å; W840-F844 HydrophobicContact CG-CE2 4.12Å; W840-F844 WeakPolarHBondContact O-CB 3.45Å; W840-F844 WeakPolarHBondContact O-CD2 3.35Å; W840-F844 PolarHBondContact O-N 3.34Å; W840-I872 HydrophobicContact CE3-CG2 4.16Å; W840-I872 HydrophobicContact CH2-CB 4.47Å; W840-I872 HydrophobicContact CH2-CG1 4.5Å; W840-I872 HydrophobicContact CH2-CG2 4.05Å; W840-I872 HydrophobicContact CZ3-CG2 3.76Å; W840-S875 VanDerWaalsContact CH2-OG 3.25Å; W840-S875 WeakPolarHBondContact CH2-OG 3.05Å; W840-S875 WeakPolarHBondContact CZ3-OG 3.48Å; W840-I876 HydrophobicContact CE3-CD1 3.75Å; W840-I876 HydrophobicContact CE3-CG1 3.94Å; W840-I876 HydrophobicContact CZ3-CD1 3.92Å; W840-I876 HydrophobicContact CZ3-CG1 3.84Å |
| 841 | K | 87.8 | Confident | 90.1 | Very high | 174 Ų | 174 | 61 Ų | 61 | 76% | 0.757 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -60.9 | -39.3 | 177.2 | -176.8 | 179.4 | 176 | -174.5 | 0 | 111.6 | L839 Q845 | L839-K841 VanDerWaalsContact C-N 3.27Å; L839-K841 PolarHBondContact O-N 2.89Å; K841-Q845 VanDerWaalsContact O-CB 3.32Å; K841-Q845 WeakPolarHBondContact O-CB 3.34Å; K841-Q845 PolarHBondContact O-N 2.82Å |
| 842 | Y | 89.5 | Confident | 90 | Very high | 72 Ų | 72 | 63.4 Ų | 63.4 | 28% | 0.282 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -71.6 | -45.2 | 178.3 | -173.9 | -124.9 | 0 | 0 | 0 | 111 | L796 E799 L811 L839 W840 Q845 | L796-Y842 HydrophobicContact CD1-CD1 3.85Å; E799-Y842 HydrophobicContact CB-CE1 4.05Å; E799-Y842 PolarHBondContact OE2-OH 3.49Å; L811-Y842 HydrophobicContact CB-CE1 4.39Å; L811-Y842 HydrophobicContact CD2-CD1 3.64Å; L811-Y842 HydrophobicContact CD2-CE1 3.4Å; L811-Y842 VanDerWaalsContact CD2-CE1 3.4Å; L811-Y842 HydrophobicContact CD2-CG 4.43Å; L839-Y842 WeakPolarHBondContact O-CB 3.26Å; L839-Y842 PolarHBondContact O-N 3.32Å; W840-Y842 VanDerWaalsContact C-N 3.27Å; W840-Y842 PolarHBondContact O-N 3.3Å; Y842-Q845 PolarHBondContact O-N 3.03Å |
| 843 | L | 92.7 | Very high | 90 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -55.7 | -55.2 | 175 | 179.9 | 63.4 | 0 | 0 | 0 | 112.3 | L792 L796 A832 L839 W840 Q845 V846 T847 | L792-L843 HydrophobicContact CD1-CD1 4.14Å; L792-L843 HydrophobicContact CD2-CD1 4.32Å; L792-L843 HydrophobicContact CG-CD1 4.47Å; L796-L843 HydrophobicContact CD1-CB 4.08Å; L796-L843 HydrophobicContact CD2-CB 4.14Å; L796-L843 HydrophobicContact CD2-CD1 4.4Å; L796-L843 HydrophobicContact CD2-CD2 4.23Å; L796-L843 HydrophobicContact CD2-CG 4.49Å; A832-L843 HydrophobicContact CB-CD2 3.92Å; L839-L843 PolarHBondContact O-N 3.21Å; L839-L843 VanDerWaalsContact O-N 3.12Å; W840-L843 PolarHBondContact O-N 3.49Å; L843-Q845 VanDerWaalsContact C-N 3.29Å; L843-Q845 PolarHBondContact O-N 3.02Å; L843-V846 PolarHBondContact O-N 3.35Å; L843-T847 HydrophobicContact CD1-CG2 3.82Å; L843-T847 HydrophobicContact CG-CG2 4.29Å; L843-T847 PolarHBondContact O-N 2.95Å; L843-T847 PolarHBondContact O-OG1 3.44Å |
| 844 | F | 93.5 | Very high | 90.1 | Very high | 22 Ų | 22 | 57.9 Ų | 57.9 | 10% | 0.096 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -73.7 | -16.7 | -175.2 | -63 | -52.7 | 0 | 0 | 0 | 114.3 | I828 A832 W840 V846 T847 G848 P850 I872 I876 | I828-F844 HydrophobicContact CG2-CE1 4.24Å; A832-F844 HydrophobicContact CB-CZ 3.87Å; W840-F844 HydrophobicContact CB-CD2 4.01Å; W840-F844 HydrophobicContact CB-CE2 3.86Å; W840-F844 HydrophobicContact CD2-CE2 4.28Å; W840-F844 HydrophobicContact CE3-CE2 4.32Å; W840-F844 HydrophobicContact CG-CE2 4.12Å; W840-F844 WeakPolarHBondContact O-CB 3.45Å; W840-F844 WeakPolarHBondContact O-CD2 3.35Å; W840-F844 PolarHBondContact O-N 3.34Å; F844-V846 PolarHBondContact O-N 2.87Å; F844-T847 WeakPolarHBondContact CD1-OG1 3.37Å; F844-G848 CarbonylContact O-C 3.59Å; F844-G848 PolarHBondContact O-N 2.93Å; F844-P850 HydrophobicContact CB-CG 4.41Å; F844-P850 HydrophobicContact CD1-CG 3.72Å; F844-P850 HydrophobicContact CD2-CG 3.6Å; F844-P850 HydrophobicContact CE1-CG 3.83Å; F844-P850 HydrophobicContact CE2-CG 3.7Å; F844-P850 HydrophobicContact CG-CG 3.63Å; F844-P850 HydrophobicContact CZ-CG 3.83Å; F844-I872 HydrophobicContact CE2-CG2 4.05Å; F844-I872 HydrophobicContact CZ-CG2 3.91Å; F844-I876 HydrophobicContact CE2-CD1 4.22Å |
| 845 | Q | 90.2 | Very high | 90.3 | Very high | 153 Ų | 153 | 57.5 Ų | 57.5 | 72% | 0.715 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -65.9 | -28.9 | 167.2 | -179 | 173.6 | -13.6 | 0 | 0 | 111.9 | K841 Y842 L843 | K841-Q845 VanDerWaalsContact O-CB 3.32Å; K841-Q845 WeakPolarHBondContact O-CB 3.34Å; K841-Q845 PolarHBondContact O-N 2.82Å; Y842-Q845 PolarHBondContact O-N 3.03Å; L843-Q845 VanDerWaalsContact C-N 3.29Å; L843-Q845 PolarHBondContact O-N 3.02Å |
| 846 | V | 91.4 | Very high | 90.4 | Very high | 33 Ų | 33 | 60.3 Ų | 60.3 | 20% | 0.2 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -96.1 | -44.8 | -179.1 | -176.4 | 0 | 0 | 0 | 0 | 111.9 | L811 P812 V815 L843 F844 | L811-V846 HydrophobicContact CD2-CG2 4.08Å; L811-V846 HydrophobicContact CG-CG2 4.4Å; P812-V846 HydrophobicContact CB-CG1 4.1Å; P812-V846 HydrophobicContact CG-CG1 4.16Å; P812-V846 HydrophobicContact CG-CG2 4.37Å; V815-V846 HydrophobicContact CB-CG1 3.84Å; V815-V846 HydrophobicContact CG1-CG1 4.12Å; V815-V846 HydrophobicContact CG2-CB 4.47Å; V815-V846 HydrophobicContact CG2-CG1 3.75Å; L843-V846 PolarHBondContact O-N 3.35Å; F844-V846 PolarHBondContact O-N 2.87Å |
| 847 | T | 92 | Very high | 90.8 | Very high | 5 Ų | 5 | 53.5 Ų | 53.5 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -75.6 | -25.6 | -177.1 | 60.1 | 0 | 0 | 0 | 0 | 113.7 | V815 I828 L843 F844 | V815-T847 HydrophobicContact CG1-CG2 4.01Å; V815-T847 HydrophobicContact CG2-CG2 3.82Å; I828-T847 HydrophobicContact CD1-CG2 3.72Å; I828-T847 HydrophobicContact CG1-CG2 4.11Å; I828-T847 HydrophobicContact CG2-CG2 4.1Å; L843-T847 HydrophobicContact CD1-CG2 3.82Å; L843-T847 HydrophobicContact CG-CG2 4.29Å; L843-T847 PolarHBondContact O-N 2.95Å; L843-T847 PolarHBondContact O-OG1 3.44Å; F844-T847 WeakPolarHBondContact CD1-OG1 3.37Å |
| 848 | G | 89.5 | Confident | 91 | Very high | 31 Ų | 31 | 49.8 Ų | 49.8 | 32% | 0.32 | 27% | 0.27 | S | S | . | . | trans | 102.9 | 164.8 | -165.2 | 0 | 0 | 0 | 0 | 0 | 112 | F844 | F844-G848 CarbonylContact O-C 3.59Å; F844-G848 PolarHBondContact O-N 2.93Å | ||
| 849 | S | 90.6 | Very high | 91.3 | Very high | 65 Ų | 65 | 54.2 Ų | 54.2 | 46% | 0.455 | 27% | 0.274 | S | S | . | . | trans | -68.5 | 142.8 | -170.8 | 69.3 | 0 | 0 | 0 | 0 | 112.8 | K851 A852 L853 | S849-K851 PolarHBondContact O-N 3.45Å; S849-K851 VanDerWaalsContact O-N 3.14Å; S849-A852 PolarHBondContact O-N 3.34Å; S849-A852 WeakPolarHBondContact OG-CB 3.33Å; S849-L853 PolarHBondContact O-N 2.81Å; S849-L853 VanDerWaalsContact O-N 3.12Å | ||
| 850 | P | 90.9 | Very high | 91.3 | Very high | 15 Ų | 15 | 57.6 Ų | 57.6 | 10% | 0.097 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -55.9 | -35.3 | 180 | -25.8 | 33.7 | 0 | 0 | 0 | 113 | F844 A852 L853 F854 L873 I876 | F844-P850 HydrophobicContact CB-CG 4.41Å; F844-P850 HydrophobicContact CD1-CG 3.72Å; F844-P850 HydrophobicContact CD2-CG 3.6Å; F844-P850 HydrophobicContact CE1-CG 3.83Å; F844-P850 HydrophobicContact CE2-CG 3.7Å; F844-P850 HydrophobicContact CG-CG 3.63Å; F844-P850 HydrophobicContact CZ-CG 3.83Å; P850-A852 PolarHBondContact O-N 2.83Å; P850-L853 PolarHBondContact O-N 3.36Å; P850-F854 VanDerWaalsContact O-CB 3.29Å; P850-F854 WeakPolarHBondContact O-CB 3.28Å; P850-F854 PolarHBondContact O-N 2.83Å; P850-L873 HydrophobicContact CB-CD2 3.84Å; P850-L873 HydrophobicContact CB-CG 3.99Å; P850-I876 HydrophobicContact CG-CD1 3.97Å |
| 851 | K | 90.5 | Very high | 91.3 | Very high | 69 Ų | 69 | 62.7 Ų | 62.7 | 30% | 0.3 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65 | -38.5 | 179.3 | -153.2 | -169.3 | -161.1 | 100.9 | 0 | 112.3 | S849 Q855 L873 E877 L885 | S849-K851 PolarHBondContact O-N 3.45Å; S849-K851 VanDerWaalsContact O-N 3.14Å; K851-Q855 VanDerWaalsContact O-CG 3.32Å; K851-Q855 WeakPolarHBondContact O-CG 3.29Å; K851-Q855 PolarHBondContact O-N 3.48Å; K851-Q855 VanDerWaalsContact O-N 3.1Å; K851-L873 HydrophobicContact CB-CD2 4.13Å; K851-L873 HydrophobicContact CG-CD2 4.49Å; K851-E877 WeakPolarHBondContact CD-OE1 3.38Å; K851-E877 IonicContact NZ-OE1 3.08Å; K851-E877 PolarHBondContact NZ-OE1 2.95Å; K851-E877 IonicContact NZ-OE2 2.69Å; K851-E877 PolarHBondContact NZ-OE2 3.22Å; K851-L885 HydrophobicContact CG-CD2 4.49Å |
| 852 | A | 92.2 | Very high | 91.4 | Very high | 49 Ų | 49 | 57.8 Ų | 57.8 | 41% | 0.405 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -71.9 | -41.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S849 P850 Q855 L856 | S849-A852 PolarHBondContact O-N 3.34Å; S849-A852 WeakPolarHBondContact OG-CB 3.33Å; P850-A852 PolarHBondContact O-N 2.83Å; A852-Q855 PolarHBondContact O-N 3.38Å; A852-L856 WeakPolarHBondContact O-CB 3.38Å; A852-L856 PolarHBondContact O-N 2.93Å |
| 853 | L | 93.4 | Very high | 91.5 | Very high | 12 Ų | 12 | 54.5 Ų | 54.5 | 6% | 0.063 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.8 | -40.4 | 176.2 | -63.1 | 171.8 | 0 | 0 | 0 | 111.7 | F824 L825 I828 S849 P850 L856 C857 Y869 | F824-L853 HydrophobicContact CE1-CD2 4.3Å; L825-L853 HydrophobicContact CD2-CD2 3.93Å; I828-L853 HydrophobicContact CG2-CD1 4.3Å; S849-L853 PolarHBondContact O-N 2.81Å; S849-L853 VanDerWaalsContact O-N 3.12Å; P850-L853 PolarHBondContact O-N 3.36Å; L853-L856 PolarHBondContact O-N 2.86Å; L853-C857 PolarHBondContact O-N 3.47Å; L853-C857 PolarHBondContact O-SG 2.86Å; L853-Y869 HydrophobicContact CB-CD1 4.31Å; L853-Y869 HydrophobicContact CB-CE1 3.74Å; L853-Y869 HydrophobicContact CB-CE2 4.17Å; L853-Y869 HydrophobicContact CD1-CE1 3.88Å; L853-Y869 HydrophobicContact CG-CE1 4.46Å |
| 854 | F | 93.5 | Very high | 91.4 | Very high | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.009 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.2 | -47.2 | 171.8 | 172.2 | -97.6 | 0 | 0 | 0 | 112.7 | P850 L856 C857 L858 A866 F870 L873 L885 L889 | P850-F854 VanDerWaalsContact O-CB 3.29Å; P850-F854 WeakPolarHBondContact O-CB 3.28Å; P850-F854 PolarHBondContact O-N 2.83Å; F854-L856 VanDerWaalsContact C-N 3.29Å; F854-L856 PolarHBondContact O-N 3.44Å; F854-C857 WeakPolarHBondContact O-CB 3.38Å; F854-C857 PolarHBondContact O-N 2.95Å; F854-L858 HydrophobicContact CD1-CD1 4.04Å; F854-L858 HydrophobicContact CE1-CD1 3.45Å; F854-L858 VanDerWaalsContact CE1-CD1 3.45Å; F854-L858 HydrophobicContact CE1-CG 4.32Å; F854-L858 HydrophobicContact CZ-CD1 3.75Å; F854-L858 HydrophobicContact CZ-CG 4.31Å; F854-L858 PolarHBondContact O-N 3.41Å; F854-A866 HydrophobicContact CD2-CB 4.23Å; F854-A866 WeakPolarHBondContact CD2-O 3.16Å; F854-A866 HydrophobicContact CE2-CB 4.2Å; F854-A866 WeakPolarHBondContact CE2-O 3.5Å; F854-F870 HydrophobicContact CE2-CB 4.08Å; F854-L873 HydrophobicContact CB-CD1 3.59Å; F854-L873 HydrophobicContact CD1-CD1 4.29Å; F854-L873 HydrophobicContact CD2-CD1 4.18Å; F854-L873 HydrophobicContact CG-CD1 3.77Å; F854-L885 HydrophobicContact CD1-CD2 3.87Å; F854-L885 HydrophobicContact CE1-CB 4.31Å; F854-L885 HydrophobicContact CE1-CD2 3.56Å; F854-L885 HydrophobicContact CZ-CB 4.37Å; F854-L885 HydrophobicContact CZ-CD2 4.41Å; F854-L889 HydrophobicContact CE2-CB 4.35Å; F854-L889 HydrophobicContact CE2-CD1 4.2Å; F854-L889 HydrophobicContact CE2-CD2 4.36Å; F854-L889 HydrophobicContact CZ-CB 4.07Å |
| 855 | Q | 92.8 | Very high | 91.3 | Very high | 115 Ų | 115 | 58.9 Ų | 58.9 | 54% | 0.537 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.3 | -36.2 | 175.8 | -75.1 | 175.7 | -7.1 | 0 | 0 | 112.4 | K851 A852 L858 K859 | K851-Q855 VanDerWaalsContact O-CG 3.32Å; K851-Q855 WeakPolarHBondContact O-CG 3.29Å; K851-Q855 PolarHBondContact O-N 3.48Å; K851-Q855 VanDerWaalsContact O-N 3.1Å; A852-Q855 PolarHBondContact O-N 3.38Å; Q855-L858 PolarHBondContact O-N 3.15Å; Q855-K859 PolarHBondContact O-N 2.91Å |
| 856 | L | 92.2 | Very high | 91.4 | Very high | 67 Ų | 67 | 51.6 Ų | 51.6 | 35% | 0.351 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -66.9 | -41.8 | 174.5 | -173.8 | 59.6 | 0 | 0 | 0 | 111.6 | L825 A852 L853 F854 L858 K859 E860 | L825-L856 HydrophobicContact CD1-CD2 4.31Å; L825-L856 HydrophobicContact CD1-CG 4.22Å; L825-L856 HydrophobicContact CD2-CD2 4.05Å; A852-L856 WeakPolarHBondContact O-CB 3.38Å; A852-L856 PolarHBondContact O-N 2.93Å; L853-L856 PolarHBondContact O-N 2.86Å; F854-L856 VanDerWaalsContact C-N 3.29Å; F854-L856 PolarHBondContact O-N 3.44Å; L856-L858 VanDerWaalsContact C-N 3.33Å; L856-L858 PolarHBondContact O-N 3.03Å; L856-K859 PolarHBondContact O-N 3.19Å; L856-K859 VanDerWaalsContact O-N 3.16Å; L856-E860 PolarHBondContact O-N 2.88Å |
| 857 | C | 93.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60 | -41.1 | 174.1 | -65 | 0 | 0 | 0 | 0 | 112.2 | L853 F854 E860 K861 R862 A866 Y869 | L853-C857 PolarHBondContact O-N 3.47Å; L853-C857 PolarHBondContact O-SG 2.86Å; F854-C857 WeakPolarHBondContact O-CB 3.38Å; F854-C857 PolarHBondContact O-N 2.95Å; C857-E860 CarbonylContact O-C 3.59Å; C857-E860 PolarHBondContact O-N 3Å; C857-K861 PolarHBondContact O-N 2.75Å; C857-R862 HydrophobicContact CB-CB 4.45Å; C857-R862 PolarHBondContact O-N 3.1Å; C857-A866 HydrophobicContact CB-CB 3.75Å; C857-Y869 VanDerWaalsContact SG-CD2 3.6Å; C857-Y869 VanDerWaalsContact SG-CE2 3.56Å |
| 858 | L | 91.5 | Very high | 91.3 | Very high | 34 Ų | 34 | 51 Ų | 51 | 18% | 0.178 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.7 | -43.7 | 173.5 | -71.1 | 173.6 | 0 | 0 | 0 | 111.8 | F854 Q855 L856 E860 K861 L863 A866 V888 L889 A892 | F854-L858 HydrophobicContact CD1-CD1 4.04Å; F854-L858 HydrophobicContact CE1-CD1 3.45Å; F854-L858 VanDerWaalsContact CE1-CD1 3.45Å; F854-L858 HydrophobicContact CE1-CG 4.32Å; F854-L858 HydrophobicContact CZ-CD1 3.75Å; F854-L858 HydrophobicContact CZ-CG 4.31Å; F854-L858 PolarHBondContact O-N 3.41Å; Q855-L858 PolarHBondContact O-N 3.15Å; L856-L858 VanDerWaalsContact C-N 3.33Å; L856-L858 PolarHBondContact O-N 3.03Å; L858-E860 PolarHBondContact O-N 2.82Å; L858-K861 PolarHBondContact O-N 3.15Å; L858-K861 VanDerWaalsContact O-N 3.1Å; L858-L863 HydrophobicContact CD2-CD2 4.31Å; L858-A866 HydrophobicContact CD2-CB 4.34Å; L858-V888 HydrophobicContact CD1-CG1 3.73Å; L858-L889 HydrophobicContact CD2-CD1 3.83Å; L858-A892 HydrophobicContact CD2-CB 3.9Å |
| 859 | K | 91.2 | Very high | 91.4 | Very high | 177 Ų | 177 | 49.5 Ų | 49.5 | 77% | 0.77 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -63.5 | -38.6 | 177.7 | -173.6 | -177.9 | 176.4 | -172.9 | 0 | 112.6 | Q855 L856 K861 | Q855-K859 PolarHBondContact O-N 2.91Å; L856-K859 PolarHBondContact O-N 3.19Å; L856-K859 VanDerWaalsContact O-N 3.16Å; K859-K861 VanDerWaalsContact C-N 3.27Å |
| 860 | E | 90 | Very high | 91.3 | Very high | 89 Ų | 89 | 46.6 Ų | 46.6 | 42% | 0.416 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 0.7 | 174.5 | -69.8 | -171.7 | -161.5 | 0 | 0 | 113.8 | L856 C857 L858 R862 | L856-E860 PolarHBondContact O-N 2.88Å; C857-E860 CarbonylContact O-C 3.59Å; C857-E860 PolarHBondContact O-N 3Å; L858-E860 PolarHBondContact O-N 2.82Å; E860-R862 HydrophobicContact CB-CG 4.02Å; E860-R862 PolarHBondContact O-N 3.44Å; E860-R862 IonicContact OE2-CZ 3.81Å; E860-R862 IonicContact OE2-NE 3.02Å; E860-R862 PolarHBondContact OE2-NE 3.22Å; E860-R862 IonicContact OE2-NH2 3.74Å; E860-R862 PolarHBondContact OE2-NH2 3.27Å |
| 861 | K | 89 | Confident | 91.1 | Very high | 133 Ų | 133 | 48.9 Ų | 48.9 | 58% | 0.578 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58 | 25.3 | -175.4 | -55.5 | -173.6 | 168.4 | -151.9 | 0 | 115 | C857 L858 K859 L863 N896 | C857-K861 PolarHBondContact O-N 2.75Å; L858-K861 PolarHBondContact O-N 3.15Å; L858-K861 VanDerWaalsContact O-N 3.1Å; K859-K861 VanDerWaalsContact C-N 3.27Å; K861-L863 VanDerWaalsContact C-N 3.3Å; K861-L863 PolarHBondContact O-N 3.36Å; K861-N896 PolarHBondContact NZ-OD1 2.68Å |
| 862 | R | 90.2 | Very high | 90.9 | Very high | 70 Ų | 70 | 45.6 Ų | 45.6 | 26% | 0.264 | 22% | 0.222 | S | C | . | . | trans | -83.8 | 72 | 175.2 | -60.2 | -168.7 | -164.3 | -149.8 | 22.4 | 111.1 | P822 C857 E860 E864 T865 A866 | P822-R862 PolarHBondContact O-NH1 3.47Å; P822-R862 PolarHBondContact O-NH2 3.11Å; C857-R862 HydrophobicContact CB-CB 4.45Å; C857-R862 PolarHBondContact O-N 3.1Å; E860-R862 HydrophobicContact CB-CG 4.02Å; E860-R862 PolarHBondContact O-N 3.44Å; E860-R862 IonicContact OE2-CZ 3.81Å; E860-R862 IonicContact OE2-NE 3.02Å; E860-R862 PolarHBondContact OE2-NE 3.22Å; E860-R862 IonicContact OE2-NH2 3.74Å; E860-R862 PolarHBondContact OE2-NH2 3.27Å; R862-E864 PolarHBondContact O-N 3.04Å; R862-T865 PolarHBondContact O-N 2.87Å; R862-A866 WeakPolarHBondContact O-CB 3.44Å; R862-A866 PolarHBondContact O-N 3.18Å | ||
| 863 | L | 91.2 | Very high | 90.8 | Very high | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.9 | -37 | -168.7 | -63.8 | 170.5 | 0 | 0 | 0 | 114 | L858 K861 A866 A867 A892 V893 N896 K898 I901 | L858-L863 HydrophobicContact CD2-CD2 4.31Å; K861-L863 VanDerWaalsContact C-N 3.3Å; K861-L863 PolarHBondContact O-N 3.36Å; L863-A866 PolarHBondContact O-N 3.42Å; L863-A867 PolarHBondContact O-N 2.84Å; L863-A892 HydrophobicContact CD2-CB 4Å; L863-V893 HydrophobicContact CB-CG2 4.1Å; L863-V893 HydrophobicContact CD1-CG2 4.19Å; L863-V893 HydrophobicContact CD2-CG2 3.96Å; L863-V893 HydrophobicContact CG-CG2 4.3Å; L863-N896 HydrophobicContact CD1-CB 3.85Å; L863-K898 HydrophobicContact CD1-CB 4.43Å; L863-K898 HydrophobicContact CD1-CD 4.29Å; L863-K898 HydrophobicContact CD1-CG 4.24Å; L863-I901 HydrophobicContact CB-CD1 4.1Å |
| 864 | E | 90.1 | Very high | 90.3 | Very high | 108 Ų | 108 | 45.8 Ų | 45.8 | 51% | 0.505 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.5 | -48.4 | 172.9 | -78.7 | 124 | -121.3 | 0 | 0 | 111.4 | R862 A866 A867 S868 K898 I901 | R862-E864 PolarHBondContact O-N 3.04Å; E864-A866 VanDerWaalsContact C-N 3.32Å; E864-A866 PolarHBondContact O-N 2.79Å; E864-A867 WeakPolarHBondContact O-CB 3.4Å; E864-A867 PolarHBondContact O-N 3.34Å; E864-A867 VanDerWaalsContact O-N 3.16Å; E864-S868 PolarHBondContact O-N 3.07Å; E864-K898 IonicContact OE1-NZ 2.62Å; E864-K898 PolarHBondContact OE1-NZ 3.28Å; E864-I901 HydrophobicContact CG-CD1 3.71Å; E864-I901 HydrophobicContact CG-CG1 4.32Å; E864-I901 WeakPolarHBondContact OE1-CD1 3.46Å |
| 865 | T | 91.4 | Very high | 89.8 | Confident | 5 Ų | 5 | 48.4 Ų | 48.4 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.7 | -40 | 176.9 | -42.2 | 0 | 0 | 0 | 0 | 111.7 | L825 Q826 A829 R862 A867 S868 Y869 | L825-T865 HydrophobicContact CB-CG2 4.11Å; L825-T865 WeakPolarHBondContact O-CG2 3.42Å; Q826-T865 HydrophobicContact CB-CG2 4.1Å; A829-T865 HydrophobicContact CB-CG2 4.41Å; R862-T865 PolarHBondContact O-N 2.87Å; T865-A867 VanDerWaalsContact C-N 3.32Å; T865-A867 PolarHBondContact O-N 2.81Å; T865-S868 PolarHBondContact O-N 3.35Å; T865-Y869 HydrophobicContact CG2-CD2 4.06Å; T865-Y869 HydrophobicContact CG2-CE2 3.85Å; T865-Y869 VanDerWaalsContact O-CD2 3.32Å; T865-Y869 WeakPolarHBondContact O-CD2 3.26Å; T865-Y869 PolarHBondContact O-N 3.27Å |
| 866 | A | 92.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.8 | -36.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | F854 C857 L858 R862 L863 E864 Y869 F870 L889 | F854-A866 HydrophobicContact CD2-CB 4.23Å; F854-A866 WeakPolarHBondContact CD2-O 3.16Å; F854-A866 HydrophobicContact CE2-CB 4.2Å; F854-A866 WeakPolarHBondContact CE2-O 3.5Å; C857-A866 HydrophobicContact CB-CB 3.75Å; L858-A866 HydrophobicContact CD2-CB 4.34Å; R862-A866 WeakPolarHBondContact O-CB 3.44Å; R862-A866 PolarHBondContact O-N 3.18Å; L863-A866 PolarHBondContact O-N 3.42Å; E864-A866 VanDerWaalsContact C-N 3.32Å; E864-A866 PolarHBondContact O-N 2.79Å; A866-Y869 PolarHBondContact O-N 2.84Å; A866-F870 WeakPolarHBondContact O-CB 3.44Å; A866-F870 PolarHBondContact O-N 3.19Å; A866-L889 HydrophobicContact CB-CD1 3.64Å |
| 867 | A | 90.4 | Very high | 88.9 | Confident | 17 Ų | 17 | 45.5 Ų | 45.5 | 14% | 0.14 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.9 | -41.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L863 E864 T865 Y869 F870 I871 L889 I901 | L863-A867 PolarHBondContact O-N 2.84Å; E864-A867 WeakPolarHBondContact O-CB 3.4Å; E864-A867 PolarHBondContact O-N 3.34Å; E864-A867 VanDerWaalsContact O-N 3.16Å; T865-A867 VanDerWaalsContact C-N 3.32Å; T865-A867 PolarHBondContact O-N 2.81Å; A867-Y869 PolarHBondContact O-N 3.17Å; A867-F870 WeakPolarHBondContact O-CB 3.25Å; A867-F870 PolarHBondContact O-N 3.12Å; A867-F870 VanDerWaalsContact O-N 3.15Å; A867-I871 PolarHBondContact O-N 2.83Å; A867-I871 VanDerWaalsContact O-N 3.16Å; A867-L889 HydrophobicContact CB-CD2 4.2Å; A867-I901 HydrophobicContact CB-CG2 4.35Å |
| 868 | S | 90.6 | Very high | 88.3 | Confident | 9 Ų | 9 | 47.1 Ų | 47.1 | 6% | 0.063 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.2 | -39.5 | 172.2 | -84 | 0 | 0 | 0 | 0 | 112.8 | R833 E864 T865 I872 | R833-S868 PolarHBondContact NH1-OG 3.43Å; R833-S868 VanDerWaalsContact NH1-OG 3.13Å; E864-S868 PolarHBondContact O-N 3.07Å; T865-S868 PolarHBondContact O-N 3.35Å; S868-I872 PolarHBondContact O-N 2.8Å |
| 869 | Y | 92 | Very high | 87.4 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68.2 | -32.2 | 172.1 | -82.5 | -67.8 | 0 | 0 | 0 | 113.8 | L825 I828 A829 L853 C857 T865 A866 A867 I872 L873 | L825-Y869 HydrophobicContact CB-CE2 4.45Å; L825-Y869 WeakPolarHBondContact O-CE2 3.39Å; L825-Y869 PolarHBondContact O-OH 2.7Å; I828-Y869 WeakPolarHBondContact CB-OH 3.39Å; I828-Y869 HydrophobicContact CG2-CE1 4.43Å; A829-Y869 HydrophobicContact CB-CD1 4.34Å; A829-Y869 HydrophobicContact CB-CD2 4.04Å; A829-Y869 HydrophobicContact CB-CE1 4.14Å; A829-Y869 HydrophobicContact CB-CE2 3.82Å; A829-Y869 HydrophobicContact CB-CG 4.28Å; L853-Y869 HydrophobicContact CB-CD1 4.31Å; L853-Y869 HydrophobicContact CB-CE1 3.74Å; L853-Y869 HydrophobicContact CB-CE2 4.17Å; L853-Y869 HydrophobicContact CD1-CE1 3.88Å; L853-Y869 HydrophobicContact CG-CE1 4.46Å; C857-Y869 VanDerWaalsContact SG-CD2 3.6Å; C857-Y869 VanDerWaalsContact SG-CE2 3.56Å; T865-Y869 HydrophobicContact CG2-CD2 4.06Å; T865-Y869 HydrophobicContact CG2-CE2 3.85Å; T865-Y869 VanDerWaalsContact O-CD2 3.32Å; T865-Y869 WeakPolarHBondContact O-CD2 3.26Å; T865-Y869 PolarHBondContact O-N 3.27Å; A866-Y869 PolarHBondContact O-N 2.84Å; A867-Y869 PolarHBondContact O-N 3.17Å; Y869-I872 HydrophobicContact CD1-CD1 4.24Å; Y869-I872 PolarHBondContact O-N 2.75Å; Y869-L873 WeakPolarHBondContact O-CB 3.14Å; Y869-L873 WeakPolarHBondContact O-CG 3.28Å; Y869-L873 PolarHBondContact O-N 2.92Å |
| 870 | F | 88.9 | Confident | 86.8 | Confident | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.018 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.9 | -41.4 | 176.9 | 172.5 | -107.9 | 0 | 0 | 0 | 111.8 | F854 A866 A867 I872 L873 Q874 S882 L885 A886 L889 F908 | F854-F870 HydrophobicContact CE2-CB 4.08Å; A866-F870 WeakPolarHBondContact O-CB 3.44Å; A866-F870 PolarHBondContact O-N 3.19Å; A867-F870 WeakPolarHBondContact O-CB 3.25Å; A867-F870 PolarHBondContact O-N 3.12Å; A867-F870 VanDerWaalsContact O-N 3.15Å; F870-I872 VanDerWaalsContact C-N 3.32Å; F870-I872 PolarHBondContact O-N 3.35Å; F870-L873 PolarHBondContact O-N 2.89Å; F870-Q874 PolarHBondContact O-N 2.76Å; F870-S882 WeakPolarHBondContact CE2-O 3.48Å; F870-L885 HydrophobicContact CD2-CB 4.19Å; F870-L885 HydrophobicContact CE2-CB 4.28Å; F870-A886 HydrophobicContact CE1-CB 4.39Å; F870-A886 HydrophobicContact CE2-CB 3.74Å; F870-A886 HydrophobicContact CZ-CB 3.6Å; F870-L889 HydrophobicContact CB-CD2 3.92Å; F870-L889 HydrophobicContact CD1-CD2 4.44Å; F870-L889 HydrophobicContact CG-CD2 4.18Å; F870-F908 HydrophobicContact CD1-CE1 4.5Å; F870-F908 AromaticContact CE1-CD1 3.97Å; F870-F908 HydrophobicContact CE1-CD1 3.97Å; F870-F908 AromaticContact CE1-CE1 3.82Å; F870-F908 HydrophobicContact CE1-CE1 3.82Å |
| 871 | I | 85.6 | Confident | 86.4 | Confident | 62 Ų | 62 | 40.2 Ų | 40.2 | 32% | 0.318 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -58.3 | -44.6 | 174 | -64.1 | 166 | 0 | 0 | 0 | 110.8 | A867 F908 | A867-I871 PolarHBondContact O-N 2.83Å; A867-I871 VanDerWaalsContact O-N 3.16Å; I871-F908 HydrophobicContact CG1-CZ 4.48Å |
| 872 | I | 88.1 | Confident | 86 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.6 | -50.2 | 175.4 | -63.4 | 165.1 | 0 | 0 | 0 | 110.2 | A829 A832 R833 W840 F844 S868 Y869 F870 Q874 S875 I876 | A829-I872 HydrophobicContact CB-CD1 4.45Å; A832-I872 HydrophobicContact CB-CD1 3.68Å; A832-I872 HydrophobicContact CB-CG1 4.48Å; R833-I872 HydrophobicContact CG-CD1 4.17Å; R833-I872 HydrophobicContact CG-CG1 3.96Å; W840-I872 HydrophobicContact CE3-CG2 4.16Å; W840-I872 HydrophobicContact CH2-CB 4.47Å; W840-I872 HydrophobicContact CH2-CG1 4.5Å; W840-I872 HydrophobicContact CH2-CG2 4.05Å; W840-I872 HydrophobicContact CZ3-CG2 3.76Å; F844-I872 HydrophobicContact CE2-CG2 4.05Å; F844-I872 HydrophobicContact CZ-CG2 3.91Å; S868-I872 PolarHBondContact O-N 2.8Å; Y869-I872 HydrophobicContact CD1-CD1 4.24Å; Y869-I872 PolarHBondContact O-N 2.75Å; F870-I872 VanDerWaalsContact C-N 3.32Å; F870-I872 PolarHBondContact O-N 3.35Å; I872-Q874 VanDerWaalsContact C-N 3.32Å; I872-Q874 PolarHBondContact O-N 2.83Å; I872-S875 PolarHBondContact O-N 2.96Å; I872-S875 VanDerWaalsContact O-N 3.12Å; I872-S875 PolarHBondContact O-OG 2.79Å; I872-I876 HydrophobicContact CG2-CD1 3.8Å |
| 873 | L | 88.2 | Confident | 85.4 | Confident | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.9 | -37.2 | -177.3 | -84.5 | 162.2 | 0 | 0 | 0 | 113.4 | P850 K851 F854 Y869 F870 S875 I876 E877 L885 | P850-L873 HydrophobicContact CB-CD2 3.84Å; P850-L873 HydrophobicContact CB-CG 3.99Å; K851-L873 HydrophobicContact CB-CD2 4.13Å; K851-L873 HydrophobicContact CG-CD2 4.49Å; F854-L873 HydrophobicContact CB-CD1 3.59Å; F854-L873 HydrophobicContact CD1-CD1 4.29Å; F854-L873 HydrophobicContact CD2-CD1 4.18Å; F854-L873 HydrophobicContact CG-CD1 3.77Å; Y869-L873 WeakPolarHBondContact O-CB 3.14Å; Y869-L873 WeakPolarHBondContact O-CG 3.28Å; Y869-L873 PolarHBondContact O-N 2.92Å; F870-L873 PolarHBondContact O-N 2.89Å; L873-S875 PolarHBondContact O-N 3.19Å; L873-I876 PolarHBondContact O-N 3.39Å; L873-I876 VanDerWaalsContact O-N 3.08Å; L873-E877 HydrophobicContact CD2-CG 3.99Å; L873-E877 PolarHBondContact O-N 2.87Å; L873-L885 HydrophobicContact CB-CD1 4.29Å; L873-L885 HydrophobicContact CD1-CD1 4.13Å; L873-L885 HydrophobicContact CD2-CD1 4.48Å |
| 874 | Q | 83 | Confident | 85.1 | Confident | 62 Ų | 62 | 39 Ų | 39 | 29% | 0.29 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -59.9 | -34.7 | 177.1 | -175.8 | -172.6 | 0.7 | 0 | 0 | 112.7 | F870 I872 I876 | F870-Q874 PolarHBondContact O-N 2.76Å; I872-Q874 VanDerWaalsContact C-N 3.32Å; I872-Q874 PolarHBondContact O-N 2.83Å; Q874-I876 VanDerWaalsContact C-N 3.29Å; Q874-I876 PolarHBondContact O-N 2.89Å |
| 875 | S | 82.9 | Confident | 84.9 | Confident | 57 Ų | 57 | 34.6 Ų | 34.6 | 40% | 0.399 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -0.9 | 178.7 | 62.2 | 0 | 0 | 0 | 0 | 114.4 | W840 I872 L873 | W840-S875 VanDerWaalsContact CH2-OG 3.25Å; W840-S875 WeakPolarHBondContact CH2-OG 3.05Å; W840-S875 WeakPolarHBondContact CZ3-OG 3.48Å; I872-S875 PolarHBondContact O-N 2.96Å; I872-S875 VanDerWaalsContact O-N 3.12Å; I872-S875 PolarHBondContact O-OG 2.79Å; L873-S875 PolarHBondContact O-N 3.19Å |
| 876 | I | 83.4 | Confident | 84.6 | Confident | 83 Ų | 83 | 34.4 Ų | 34.4 | 43% | 0.426 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | -39.7 | 178.8 | -57.1 | 172.6 | 0 | 0 | 0 | 112 | W840 F844 P850 I872 L873 Q874 | W840-I876 HydrophobicContact CE3-CD1 3.75Å; W840-I876 HydrophobicContact CE3-CG1 3.94Å; W840-I876 HydrophobicContact CZ3-CD1 3.92Å; W840-I876 HydrophobicContact CZ3-CG1 3.84Å; F844-I876 HydrophobicContact CE2-CD1 4.22Å; P850-I876 HydrophobicContact CG-CD1 3.97Å; I872-I876 HydrophobicContact CG2-CD1 3.8Å; L873-I876 PolarHBondContact O-N 3.39Å; L873-I876 VanDerWaalsContact O-N 3.08Å; Q874-I876 VanDerWaalsContact C-N 3.29Å; Q874-I876 PolarHBondContact O-N 2.89Å |
| 877 | E | 82.5 | Confident | 84.2 | Confident | 38 Ų | 38 | 35.7 Ų | 35.7 | 18% | 0.178 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -96.4 | 170.9 | -175.6 | -63.6 | -159.1 | 168.9 | 0 | 0 | 113.3 | K851 L873 D881 L885 | K851-E877 WeakPolarHBondContact CD-OE1 3.38Å; K851-E877 IonicContact NZ-OE1 3.08Å; K851-E877 PolarHBondContact NZ-OE1 2.95Å; K851-E877 IonicContact NZ-OE2 2.69Å; K851-E877 PolarHBondContact NZ-OE2 3.22Å; L873-E877 HydrophobicContact CD2-CG 3.99Å; L873-E877 PolarHBondContact O-N 2.87Å; E877-D881 HydrophobicContact CB-CB 4.42Å; E877-D881 WeakPolarHBondContact OE2-CB 3.36Å; E877-L885 WeakPolarHBondContact OE2-CD1 3.31Å |
| 878 | S | 80.7 | Confident | 84.2 | Confident | 35 Ų | 35 | 38.3 Ų | 38.3 | 25% | 0.245 | 21% | 0.21 | C | C | . | . | trans | -66.8 | 153.4 | 175.8 | 82.4 | 0 | 0 | 0 | 0 | 112 | S880 D881 S882 | S878-S880 PolarHBondContact O-N 3.36Å; S878-S880 VanDerWaalsContact O-N 3.14Å; S878-S880 PolarHBondContact OG-N 3.08Å; S878-S880 PolarHBondContact OG-OG 2.84Å; S878-D881 PolarHBondContact O-N 2.93Å; S878-D881 VanDerWaalsContact O-N 3.1Å; S878-D881 PolarHBondContact OG-N 3.5Å; S878-D881 VanDerWaalsContact OG-N 3.15Å; S878-D881 PolarHBondContact OG-OD2 3.06Å; S878-S882 WeakPolarHBondContact O-CB 3.28Å; S878-S882 PolarHBondContact O-N 3.36Å; S878-S882 PolarHBondContact O-OG 3.09Å | ||
| 879 | T | 74.2 | Confident | 84.2 | Confident | 40 Ų | 40 | 37.9 Ų | 37.9 | 25% | 0.245 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -55.7 | -30.7 | 172 | -35.7 | 0 | 0 | 0 | 0 | 111.7 | K883 D916 M917 | T879-K883 WeakPolarHBondContact O-CG 3.33Å; T879-K883 PolarHBondContact O-N 3.3Å; T879-K883 VanDerWaalsContact O-N 3.13Å; T879-D916 PolarHBondContact OG1-O 2.99Å; T879-M917 HydrophobicContact CG2-CG 4.38Å |
| 880 | S | 78.3 | Confident | 84 | Confident | 66 Ų | 66 | 37.9 Ų | 37.9 | 46% | 0.462 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -71.8 | -35.2 | 178.7 | 84.9 | 0 | 0 | 0 | 0 | 113.6 | S878 K884 | S878-S880 PolarHBondContact O-N 3.36Å; S878-S880 VanDerWaalsContact O-N 3.14Å; S878-S880 PolarHBondContact OG-N 3.08Å; S878-S880 PolarHBondContact OG-OG 2.84Å; S880-K884 WeakPolarHBondContact O-CG 3.32Å |
| 881 | D | 81 | Confident | 84 | Confident | 49 Ų | 49 | 42 Ų | 42 | 26% | 0.262 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -83.2 | -36.6 | 177.6 | -62.5 | -56.8 | 0 | 0 | 0 | 111.2 | E877 S878 K883 K884 L885 | E877-D881 HydrophobicContact CB-CB 4.42Å; E877-D881 WeakPolarHBondContact OE2-CB 3.36Å; S878-D881 PolarHBondContact O-N 2.93Å; S878-D881 VanDerWaalsContact O-N 3.1Å; S878-D881 PolarHBondContact OG-N 3.5Å; S878-D881 VanDerWaalsContact OG-N 3.15Å; S878-D881 PolarHBondContact OG-OD2 3.06Å; D881-K883 VanDerWaalsContact C-N 3.27Å; D881-K883 PolarHBondContact O-N 2.85Å; D881-K884 WeakPolarHBondContact O-CB 3.49Å; D881-K884 PolarHBondContact O-N 3.36Å; D881-K884 IonicContact OD1-NZ 3.91Å; D881-K884 PolarHBondContact OD1-NZ 3.32Å; D881-L885 WeakPolarHBondContact O-CG 3.35Å; D881-L885 PolarHBondContact O-N 3.13Å |
| 882 | S | 80.4 | Confident | 84.1 | Confident | 7 Ų | 7 | 40 Ų | 40 | 5% | 0.049 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -53.2 | -44.5 | 169.6 | -60 | 0 | 0 | 0 | 0 | 111.4 | F870 S878 K884 L885 A886 | F870-S882 WeakPolarHBondContact CE2-O 3.48Å; S878-S882 WeakPolarHBondContact O-CB 3.28Å; S878-S882 PolarHBondContact O-N 3.36Å; S878-S882 PolarHBondContact O-OG 3.09Å; S882-K884 PolarHBondContact O-N 2.87Å; S882-L885 PolarHBondContact O-N 3Å; S882-A886 VanDerWaalsContact O-CB 3.3Å; S882-A886 WeakPolarHBondContact O-CB 3.26Å; S882-A886 PolarHBondContact O-N 2.96Å |
| 883 | K | 78.4 | Confident | 84.3 | Confident | 50 Ų | 50 | 40 Ų | 40 | 22% | 0.217 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.2 | -43.1 | 173.5 | -78.1 | 178.4 | 178.3 | -172.7 | 0 | 113.3 | T879 D881 A886 T887 M917 | T879-K883 WeakPolarHBondContact O-CG 3.33Å; T879-K883 PolarHBondContact O-N 3.3Å; T879-K883 VanDerWaalsContact O-N 3.13Å; D881-K883 VanDerWaalsContact C-N 3.27Å; D881-K883 PolarHBondContact O-N 2.85Å; K883-A886 PolarHBondContact O-N 3.43Å; K883-T887 PolarHBondContact O-N 3.42Å; K883-T887 PolarHBondContact O-OG1 2.86Å; K883-M917 PolarHBondContact NZ-SD 3.15Å |
| 884 | K | 84.5 | Confident | 84.3 | Confident | 124 Ų | 124 | 40 Ų | 40 | 54% | 0.539 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.6 | -46.6 | 177.8 | -61.2 | 166.3 | -159.9 | 157.4 | 0 | 110.7 | S880 D881 S882 T887 V888 | S880-K884 WeakPolarHBondContact O-CG 3.32Å; D881-K884 WeakPolarHBondContact O-CB 3.49Å; D881-K884 PolarHBondContact O-N 3.36Å; D881-K884 IonicContact OD1-NZ 3.91Å; D881-K884 PolarHBondContact OD1-NZ 3.32Å; S882-K884 PolarHBondContact O-N 2.87Å; K884-T887 WeakPolarHBondContact O-CB 3.22Å; K884-T887 PolarHBondContact O-N 3.04Å; K884-V888 WeakPolarHBondContact O-CG2 3.44Å; K884-V888 PolarHBondContact O-N 3.31Å; K884-V888 VanDerWaalsContact O-N 3.1Å |
| 885 | L | 86.1 | Confident | 84.5 | Confident | 15 Ų | 15 | 42.5 Ų | 42.5 | 8% | 0.079 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.9 | -43.5 | 178.2 | -67.2 | 168.3 | 0 | 0 | 0 | 111.8 | K851 F854 F870 L873 E877 D881 S882 T887 V888 L889 | K851-L885 HydrophobicContact CG-CD2 4.49Å; F854-L885 HydrophobicContact CD1-CD2 3.87Å; F854-L885 HydrophobicContact CE1-CB 4.31Å; F854-L885 HydrophobicContact CE1-CD2 3.56Å; F854-L885 HydrophobicContact CZ-CB 4.37Å; F854-L885 HydrophobicContact CZ-CD2 4.41Å; F870-L885 HydrophobicContact CD2-CB 4.19Å; F870-L885 HydrophobicContact CE2-CB 4.28Å; L873-L885 HydrophobicContact CB-CD1 4.29Å; L873-L885 HydrophobicContact CD1-CD1 4.13Å; L873-L885 HydrophobicContact CD2-CD1 4.48Å; E877-L885 WeakPolarHBondContact OE2-CD1 3.31Å; D881-L885 WeakPolarHBondContact O-CG 3.35Å; D881-L885 PolarHBondContact O-N 3.13Å; S882-L885 PolarHBondContact O-N 3Å; L885-T887 VanDerWaalsContact C-N 3.32Å; L885-T887 PolarHBondContact O-N 2.77Å; L885-V888 PolarHBondContact O-N 3.08Å; L885-L889 WeakPolarHBondContact O-CB 3.28Å; L885-L889 PolarHBondContact O-N 3.12Å |
| 886 | A | 85.2 | Confident | 84.6 | Confident | 2 Ų | 2 | 42.6 Ų | 42.6 | 2% | 0.017 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.5 | -39.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | F870 S882 K883 L889 L890 L909 | F870-A886 HydrophobicContact CE1-CB 4.39Å; F870-A886 HydrophobicContact CE2-CB 3.74Å; F870-A886 HydrophobicContact CZ-CB 3.6Å; S882-A886 VanDerWaalsContact O-CB 3.3Å; S882-A886 WeakPolarHBondContact O-CB 3.26Å; S882-A886 PolarHBondContact O-N 2.96Å; K883-A886 PolarHBondContact O-N 3.43Å; A886-L889 PolarHBondContact O-N 3.02Å; A886-L890 WeakPolarHBondContact O-CB 3.41Å; A886-L890 PolarHBondContact O-N 3.38Å; A886-L909 HydrophobicContact CB-CD1 4.14Å; A886-L909 HydrophobicContact CB-CD2 3.65Å; A886-L909 HydrophobicContact CB-CG 4.39Å |
| 887 | T | 84.3 | Confident | 84.7 | Confident | 27 Ų | 27 | 40.3 Ų | 40.3 | 17% | 0.166 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.1 | -48.1 | 176.7 | -52 | 0 | 0 | 0 | 0 | 110.7 | K883 K884 L885 L890 Q891 F1019 I1023 | K883-T887 PolarHBondContact O-N 3.42Å; K883-T887 PolarHBondContact O-OG1 2.86Å; K884-T887 WeakPolarHBondContact O-CB 3.22Å; K884-T887 PolarHBondContact O-N 3.04Å; L885-T887 VanDerWaalsContact C-N 3.32Å; L885-T887 PolarHBondContact O-N 2.77Å; T887-L890 PolarHBondContact O-N 2.9Å; T887-Q891 WeakPolarHBondContact O-CB 3.36Å; T887-Q891 VanDerWaalsContact O-CG 3.31Å; T887-Q891 WeakPolarHBondContact O-CG 3.31Å; T887-Q891 PolarHBondContact O-N 3.36Å; T887-F1019 HydrophobicContact CG2-CZ 4.12Å; T887-F1019 WeakPolarHBondContact OG1-CE1 3.39Å; T887-F1019 VanDerWaalsContact OG1-CZ 3.27Å; T887-F1019 WeakPolarHBondContact OG1-CZ 3.26Å; T887-I1023 HydrophobicContact CG2-CD1 3.93Å |
| 888 | V | 89.8 | Confident | 84.8 | Confident | 71 Ų | 71 | 42.5 Ų | 42.5 | 43% | 0.43 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65.2 | -43 | 178.8 | 175.6 | 0 | 0 | 0 | 0 | 111.3 | L858 K884 L885 A892 | L858-V888 HydrophobicContact CD1-CG1 3.73Å; K884-V888 WeakPolarHBondContact O-CG2 3.44Å; K884-V888 PolarHBondContact O-N 3.31Å; K884-V888 VanDerWaalsContact O-N 3.1Å; L885-V888 PolarHBondContact O-N 3.08Å; V888-A892 WeakPolarHBondContact O-CB 3.48Å; V888-A892 PolarHBondContact O-N 3.37Å |
| 889 | L | 90.5 | Very high | 84.9 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.2 | -49.4 | 176.6 | -175.6 | 64.2 | 0 | 0 | 0 | 111.2 | F854 L858 A866 A867 F870 L885 A886 Q891 A892 V893 I905 | F854-L889 HydrophobicContact CE2-CB 4.35Å; F854-L889 HydrophobicContact CE2-CD1 4.2Å; F854-L889 HydrophobicContact CE2-CD2 4.36Å; F854-L889 HydrophobicContact CZ-CB 4.07Å; L858-L889 HydrophobicContact CD2-CD1 3.83Å; A866-L889 HydrophobicContact CB-CD1 3.64Å; A867-L889 HydrophobicContact CB-CD2 4.2Å; F870-L889 HydrophobicContact CB-CD2 3.92Å; F870-L889 HydrophobicContact CD1-CD2 4.44Å; F870-L889 HydrophobicContact CG-CD2 4.18Å; L885-L889 WeakPolarHBondContact O-CB 3.28Å; L885-L889 PolarHBondContact O-N 3.12Å; A886-L889 PolarHBondContact O-N 3.02Å; L889-Q891 VanDerWaalsContact C-N 3.34Å; L889-Q891 PolarHBondContact O-N 3.21Å; L889-A892 PolarHBondContact O-N 2.85Å; L889-V893 HydrophobicContact CD1-CG2 4.14Å; L889-V893 HydrophobicContact CG-CG2 4.24Å; L889-V893 WeakPolarHBondContact O-CB 3.3Å; L889-V893 VanDerWaalsContact O-CG2 3.22Å; L889-V893 WeakPolarHBondContact O-CG2 3.34Å; L889-V893 PolarHBondContact O-N 2.58Å; L889-I905 HydrophobicContact CD2-CD1 3.55Å; L889-I905 HydrophobicContact CD2-CG1 4.19Å; L889-I905 HydrophobicContact CG-CD1 3.7Å |
| 890 | L | 88.3 | Confident | 85.2 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.6 | -42.3 | -178.7 | -176.9 | 59.7 | 0 | 0 | 0 | 111.3 | A886 T887 V893 L894 A902 I905 I906 L909 I1023 | A886-L890 WeakPolarHBondContact O-CB 3.41Å; A886-L890 PolarHBondContact O-N 3.38Å; T887-L890 PolarHBondContact O-N 2.9Å; L890-V893 PolarHBondContact O-N 2.74Å; L890-L894 HydrophobicContact CD1-CD1 4.17Å; L890-L894 HydrophobicContact CD1-CG 4.21Å; L890-L894 HydrophobicContact CG-CD1 3.98Å; L890-L894 HydrophobicContact CG-CG 4.46Å; L890-L894 WeakPolarHBondContact O-CB 3.41Å; L890-L894 WeakPolarHBondContact O-CG 3.26Å; L890-L894 PolarHBondContact O-N 3Å; L890-A902 HydrophobicContact CD1-CB 4.29Å; L890-I905 HydrophobicContact CB-CG2 4.34Å; L890-I905 HydrophobicContact CD1-CG2 4.23Å; L890-I906 HydrophobicContact CD1-CD1 4.02Å; L890-I906 HydrophobicContact CD1-CG1 3.9Å; L890-I906 HydrophobicContact CD2-CG1 4.14Å; L890-L909 HydrophobicContact CD2-CD1 4.4Å; L890-I1023 HydrophobicContact CD2-CD1 4.18Å; L890-I1023 HydrophobicContact CD2-CG2 4.16Å; L890-I1023 HydrophobicContact CG-CG2 4.42Å |
| 891 | Q | 88.4 | Confident | 85.4 | Confident | 92 Ų | 92 | 41.2 Ų | 41.2 | 43% | 0.43 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -59.1 | -50.3 | 172.8 | -76 | 175.2 | -22.7 | 0 | 0 | 111.7 | T887 L889 V893 L894 E895 I1023 | T887-Q891 WeakPolarHBondContact O-CB 3.36Å; T887-Q891 VanDerWaalsContact O-CG 3.31Å; T887-Q891 WeakPolarHBondContact O-CG 3.31Å; T887-Q891 PolarHBondContact O-N 3.36Å; L889-Q891 VanDerWaalsContact C-N 3.34Å; L889-Q891 PolarHBondContact O-N 3.21Å; Q891-V893 VanDerWaalsContact C-N 3.31Å; Q891-V893 PolarHBondContact O-N 3Å; Q891-L894 PolarHBondContact O-N 3.02Å; Q891-E895 WeakPolarHBondContact O-CB 3.5Å; Q891-E895 WeakPolarHBondContact O-CG 3.3Å; Q891-E895 PolarHBondContact O-N 3.05Å; Q891-I1023 HydrophobicContact CG-CG2 4.24Å |
| 892 | A | 89 | Confident | 85.6 | Confident | 19 Ų | 19 | 38.9 Ų | 38.9 | 16% | 0.157 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.4 | -35.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L858 L863 V888 L889 N896 | L858-A892 HydrophobicContact CD2-CB 3.9Å; L863-A892 HydrophobicContact CD2-CB 4Å; V888-A892 WeakPolarHBondContact O-CB 3.48Å; V888-A892 PolarHBondContact O-N 3.37Å; L889-A892 PolarHBondContact O-N 2.85Å; A892-N896 PolarHBondContact O-N 3.07Å; A892-N896 PolarHBondContact O-ND2 3.32Å |
| 893 | V | 90.5 | Very high | 85.7 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -69.4 | -43.3 | 177.2 | 173 | 0 | 0 | 0 | 0 | 111.6 | L863 L889 L890 Q891 C897 K898 I901 A902 I905 | L863-V893 HydrophobicContact CB-CG2 4.1Å; L863-V893 HydrophobicContact CD1-CG2 4.19Å; L863-V893 HydrophobicContact CD2-CG2 3.96Å; L863-V893 HydrophobicContact CG-CG2 4.3Å; L889-V893 HydrophobicContact CD1-CG2 4.14Å; L889-V893 HydrophobicContact CG-CG2 4.24Å; L889-V893 WeakPolarHBondContact O-CB 3.3Å; L889-V893 VanDerWaalsContact O-CG2 3.22Å; L889-V893 WeakPolarHBondContact O-CG2 3.34Å; L889-V893 PolarHBondContact O-N 2.58Å; L890-V893 PolarHBondContact O-N 2.74Å; Q891-V893 VanDerWaalsContact C-N 3.31Å; Q891-V893 PolarHBondContact O-N 3Å; V893-C897 PolarHBondContact O-N 2.85Å; V893-K898 HydrophobicContact CG1-CB 4.12Å; V893-K898 WeakPolarHBondContact CG1-O 3.38Å; V893-K898 PolarHBondContact O-N 3.26Å; V893-K898 VanDerWaalsContact O-N 3.1Å; V893-I901 HydrophobicContact CG1-CB 3.88Å; V893-I901 HydrophobicContact CG1-CG2 4.18Å; V893-I901 HydrophobicContact CG2-CG2 4.15Å; V893-A902 HydrophobicContact CG1-CB 3.83Å; V893-I905 HydrophobicContact CG2-CD1 3.86Å |
| 894 | L | 88.4 | Confident | 85.7 | Confident | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.9 | -46.1 | 175.5 | -70.9 | 172 | 0 | 0 | 0 | 111.6 | L890 Q891 N896 C897 W899 A902 I1023 L1024 H1027 F1043 | L890-L894 HydrophobicContact CD1-CD1 4.17Å; L890-L894 HydrophobicContact CD1-CG 4.21Å; L890-L894 HydrophobicContact CG-CD1 3.98Å; L890-L894 HydrophobicContact CG-CG 4.46Å; L890-L894 WeakPolarHBondContact O-CB 3.41Å; L890-L894 WeakPolarHBondContact O-CG 3.26Å; L890-L894 PolarHBondContact O-N 3Å; Q891-L894 PolarHBondContact O-N 3.02Å; L894-N896 VanDerWaalsContact C-N 3.3Å; L894-N896 PolarHBondContact O-N 3.06Å; L894-C897 PolarHBondContact O-N 3.36Å; L894-W899 HydrophobicContact CD2-CE3 4.25Å; L894-W899 HydrophobicContact CD2-CZ3 3.97Å; L894-A902 HydrophobicContact CD2-CB 3.98Å; L894-I1023 HydrophobicContact CD1-CG2 4.21Å; L894-L1024 HydrophobicContact CD1-CD2 4.21Å; L894-L1024 HydrophobicContact CD2-CD2 4.49Å; L894-H1027 HydrophobicContact CD1-CB 4.15Å; L894-H1027 PolarHBondContact O-CE1 3.02Å; L894-H1027 PolarHBondContact O-NE2 3.49Å; L894-F1043 HydrophobicContact CD2-CD2 3.89Å; L894-F1043 HydrophobicContact CD2-CE2 3.65Å |
| 895 | E | 87 | Confident | 85.6 | Confident | 116 Ų | 116 | 38.4 Ų | 38.4 | 54% | 0.542 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -58.9 | -37.1 | 177.8 | -76.6 | 178.6 | 177.9 | 0 | 0 | 113.4 | Q891 C897 | Q891-E895 WeakPolarHBondContact O-CB 3.5Å; Q891-E895 WeakPolarHBondContact O-CG 3.3Å; Q891-E895 PolarHBondContact O-N 3.05Å; E895-C897 VanDerWaalsContact C-N 3.3Å |
| 896 | N | 85.4 | Confident | 85.5 | Confident | 59 Ų | 59 | 38.1 Ų | 38.1 | 32% | 0.316 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 12.5 | 176 | -63.5 | -87.7 | 0 | 0 | 0 | 113.1 | K861 L863 A892 L894 K898 | K861-N896 PolarHBondContact NZ-OD1 2.68Å; L863-N896 HydrophobicContact CD1-CB 3.85Å; A892-N896 PolarHBondContact O-N 3.07Å; A892-N896 PolarHBondContact O-ND2 3.32Å; L894-N896 VanDerWaalsContact C-N 3.3Å; L894-N896 PolarHBondContact O-N 3.06Å; N896-K898 VanDerWaalsContact C-N 3.27Å; N896-K898 PolarHBondContact O-N 3.28Å |
| 897 | C | 85.9 | Confident | 85.2 | Confident | 34 Ų | 34 | 45.5 Ų | 45.5 | 23% | 0.23 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 28.9 | 172.5 | -53.9 | 0 | 0 | 0 | 0 | 114.8 | V893 L894 E895 W899 | V893-C897 PolarHBondContact O-N 2.85Å; L894-C897 PolarHBondContact O-N 3.36Å; E895-C897 VanDerWaalsContact C-N 3.3Å; C897-W899 HydrophobicContact CB-CH2 3.96Å; C897-W899 HydrophobicContact CB-CZ2 3.48Å; C897-W899 VanDerWaalsContact CB-CZ2 3.48Å; C897-W899 PolarHBondContact O-N 3.46Å; C897-W899 PolarHBondContact O-NE1 3.02Å |
| 898 | K | 84.8 | Confident | 84.8 | Confident | 84 Ų | 84 | 47.5 Ų | 47.5 | 37% | 0.365 | 23% | 0.232 | S | C | . | . | trans | -89.7 | 76.3 | 177.5 | -75.3 | -145 | 176.8 | -160.2 | 0 | 111.3 | L863 E864 V893 N896 T900 I901 A902 | L863-K898 HydrophobicContact CD1-CB 4.43Å; L863-K898 HydrophobicContact CD1-CD 4.29Å; L863-K898 HydrophobicContact CD1-CG 4.24Å; E864-K898 IonicContact OE1-NZ 2.62Å; E864-K898 PolarHBondContact OE1-NZ 3.28Å; V893-K898 HydrophobicContact CG1-CB 4.12Å; V893-K898 WeakPolarHBondContact CG1-O 3.38Å; V893-K898 PolarHBondContact O-N 3.26Å; V893-K898 VanDerWaalsContact O-N 3.1Å; N896-K898 VanDerWaalsContact C-N 3.27Å; N896-K898 PolarHBondContact O-N 3.28Å; K898-T900 PolarHBondContact O-N 3.39Å; K898-I901 HydrophobicContact CB-CD1 3.9Å; K898-I901 HydrophobicContact CB-CG1 4.37Å; K898-I901 HydrophobicContact CD-CD1 3.47Å; K898-I901 VanDerWaalsContact CD-CD1 3.47Å; K898-I901 HydrophobicContact CG-CD1 4.33Å; K898-I901 PolarHBondContact O-N 2.95Å; K898-A902 PolarHBondContact O-N 3.33Å; K898-A902 VanDerWaalsContact O-N 3.15Å | ||
| 899 | W | 83 | Confident | 84 | Confident | 24 Ų | 24 | 44.6 Ų | 44.6 | 9% | 0.091 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.5 | -35.1 | -168.4 | -45.1 | 121.7 | 0 | 0 | 0 | 115.4 | L894 C897 A902 L903 H1027 L1031 D1039 F1043 Q1046 V1047 | L894-W899 HydrophobicContact CD2-CE3 4.25Å; L894-W899 HydrophobicContact CD2-CZ3 3.97Å; C897-W899 HydrophobicContact CB-CH2 3.96Å; C897-W899 HydrophobicContact CB-CZ2 3.48Å; C897-W899 VanDerWaalsContact CB-CZ2 3.48Å; C897-W899 PolarHBondContact O-N 3.46Å; C897-W899 PolarHBondContact O-NE1 3.02Å; W899-A902 WeakPolarHBondContact O-CB 3.35Å; W899-A902 PolarHBondContact O-N 2.83Å; W899-L903 PolarHBondContact O-N 2.99Å; W899-H1027 AromaticContact CH2-NE2 3.92Å; W899-H1027 AromaticContact CZ3-NE2 3.92Å; W899-L1031 HydrophobicContact CH2-CD1 4.41Å; W899-D1039 HydrophobicContact CZ2-CB 4.44Å; W899-F1043 HydrophobicContact CE3-CB 4.17Å; W899-F1043 HydrophobicContact CE3-CD2 4.01Å; W899-F1043 HydrophobicContact CH2-CB 3.85Å; W899-F1043 HydrophobicContact CH2-CD2 4.47Å; W899-F1043 HydrophobicContact CZ2-CB 4.24Å; W899-F1043 HydrophobicContact CZ3-CB 3.82Å; W899-F1043 AromaticContact CZ3-CD2 3.69Å; W899-F1043 HydrophobicContact CZ3-CD2 3.69Å; W899-F1043 HydrophobicContact CZ3-CG 4.18Å; W899-Q1046 HydrophobicContact CB-CB 3.51Å; W899-Q1046 HydrophobicContact CB-CG 3.95Å; W899-Q1046 HydrophobicContact CG-CB 4.11Å; W899-Q1046 HydrophobicContact CG-CG 4.3Å; W899-V1047 HydrophobicContact CB-CG2 4.34Å; W899-V1047 HydrophobicContact CE3-CG2 4.25Å |
| 900 | T | 80.3 | Confident | 83.4 | Confident | 82 Ų | 82 | 49.6 Ų | 49.6 | 50% | 0.503 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.7 | -49.6 | 177.7 | 48.3 | 0 | 0 | 0 | 0 | 111.8 | K898 A902 L903 E904 | K898-T900 PolarHBondContact O-N 3.39Å; T900-A902 VanDerWaalsContact C-N 3.3Å; T900-A902 PolarHBondContact O-N 3.19Å; T900-L903 WeakPolarHBondContact O-CB 3.22Å; T900-L903 PolarHBondContact O-N 3.49Å; T900-E904 PolarHBondContact O-N 2.86Å |
| 901 | I | 82.3 | Confident | 82.7 | Confident | 8 Ų | 8 | 53.6 Ų | 53.6 | 4% | 0.041 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63 | -38.1 | 175.3 | -48.3 | 172.4 | 0 | 0 | 0 | 110.5 | L863 E864 A867 V893 K898 L903 E904 I905 | L863-I901 HydrophobicContact CB-CD1 4.1Å; E864-I901 HydrophobicContact CG-CD1 3.71Å; E864-I901 HydrophobicContact CG-CG1 4.32Å; E864-I901 WeakPolarHBondContact OE1-CD1 3.46Å; A867-I901 HydrophobicContact CB-CG2 4.35Å; V893-I901 HydrophobicContact CG1-CB 3.88Å; V893-I901 HydrophobicContact CG1-CG2 4.18Å; V893-I901 HydrophobicContact CG2-CG2 4.15Å; K898-I901 HydrophobicContact CB-CD1 3.9Å; K898-I901 HydrophobicContact CB-CG1 4.37Å; K898-I901 HydrophobicContact CD-CD1 3.47Å; K898-I901 VanDerWaalsContact CD-CD1 3.47Å; K898-I901 HydrophobicContact CG-CD1 4.33Å; K898-I901 PolarHBondContact O-N 2.95Å; I901-L903 VanDerWaalsContact C-N 3.34Å; I901-L903 PolarHBondContact O-N 3.27Å; I901-E904 PolarHBondContact O-N 2.68Å; I901-I905 HydrophobicContact CG2-CD1 3.74Å; I901-I905 HydrophobicContact CG2-CG1 4.28Å; I901-I905 WeakPolarHBondContact O-CB 3.23Å; I901-I905 VanDerWaalsContact O-CG1 3.3Å; I901-I905 WeakPolarHBondContact O-CG1 3.14Å; I901-I905 PolarHBondContact O-N 2.91Å |
| 902 | A | 84.6 | Confident | 81.7 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.5 | -45.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | L890 V893 L894 K898 W899 T900 I905 I906 V1047 | L890-A902 HydrophobicContact CD1-CB 4.29Å; V893-A902 HydrophobicContact CG1-CB 3.83Å; L894-A902 HydrophobicContact CD2-CB 3.98Å; K898-A902 PolarHBondContact O-N 3.33Å; K898-A902 VanDerWaalsContact O-N 3.15Å; W899-A902 WeakPolarHBondContact O-CB 3.35Å; W899-A902 PolarHBondContact O-N 2.83Å; T900-A902 VanDerWaalsContact C-N 3.3Å; T900-A902 PolarHBondContact O-N 3.19Å; A902-I905 PolarHBondContact O-N 2.85Å; A902-I906 WeakPolarHBondContact O-CB 3.35Å; A902-I906 VanDerWaalsContact O-CD1 3.25Å; A902-I906 WeakPolarHBondContact O-CD1 3.36Å; A902-I906 WeakPolarHBondContact O-CG1 3.47Å; A902-I906 PolarHBondContact O-N 3.19Å; A902-V1047 HydrophobicContact CB-CG2 4.34Å |
| 903 | L | 83.2 | Confident | 80.3 | Confident | 31 Ų | 31 | 54 Ų | 54 | 16% | 0.162 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.2 | -42.4 | 176.9 | -174.9 | 73.3 | 0 | 0 | 0 | 111.8 | W899 T900 I901 I906 R907 | W899-L903 PolarHBondContact O-N 2.99Å; T900-L903 WeakPolarHBondContact O-CB 3.22Å; T900-L903 PolarHBondContact O-N 3.49Å; I901-L903 VanDerWaalsContact C-N 3.34Å; I901-L903 PolarHBondContact O-N 3.27Å; L903-I906 PolarHBondContact O-N 3.21Å; L903-R907 WeakPolarHBondContact O-CB 3.31Å; L903-R907 WeakPolarHBondContact O-CG 3.28Å; L903-R907 PolarHBondContact O-N 2.91Å |
| 904 | E | 79.2 | Confident | 78.8 | Confident | 132 Ų | 132 | 57.2 Ų | 57.2 | 62% | 0.617 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -61.4 | -49.9 | 175.2 | -72.4 | -173.8 | 155.5 | 0 | 0 | 111.9 | T900 I901 I906 R907 F908 | T900-E904 PolarHBondContact O-N 2.86Å; I901-E904 PolarHBondContact O-N 2.68Å; E904-I906 VanDerWaalsContact C-N 3.27Å; E904-I906 PolarHBondContact O-N 3.34Å; E904-R907 PolarHBondContact O-N 3.3Å; E904-F908 WeakPolarHBondContact O-CB 3.34Å; E904-F908 PolarHBondContact O-N 3.06Å |
| 905 | I | 81.8 | Confident | 77.3 | Confident | 8 Ų | 8 | 60.7 Ų | 60.7 | 4% | 0.041 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.8 | -38.9 | 176.7 | -67.5 | 164.6 | 0 | 0 | 0 | 110.9 | L889 L890 V893 I901 A902 F908 L909 | L889-I905 HydrophobicContact CD2-CD1 3.55Å; L889-I905 HydrophobicContact CD2-CG1 4.19Å; L889-I905 HydrophobicContact CG-CD1 3.7Å; L890-I905 HydrophobicContact CB-CG2 4.34Å; L890-I905 HydrophobicContact CD1-CG2 4.23Å; V893-I905 HydrophobicContact CG2-CD1 3.86Å; I901-I905 HydrophobicContact CG2-CD1 3.74Å; I901-I905 HydrophobicContact CG2-CG1 4.28Å; I901-I905 WeakPolarHBondContact O-CB 3.23Å; I901-I905 VanDerWaalsContact O-CG1 3.3Å; I901-I905 WeakPolarHBondContact O-CG1 3.14Å; I901-I905 PolarHBondContact O-N 2.91Å; A902-I905 PolarHBondContact O-N 2.85Å; I905-F908 PolarHBondContact O-N 2.84Å; I905-L909 HydrophobicContact CG2-CD1 3.79Å; I905-L909 HydrophobicContact CG2-CG 4.3Å; I905-L909 WeakPolarHBondContact O-CB 3.49Å; I905-L909 VanDerWaalsContact O-CG 3.24Å; I905-L909 WeakPolarHBondContact O-CG 3.18Å; I905-L909 PolarHBondContact O-N 2.95Å |
| 906 | I | 82.5 | Confident | 75.7 | Confident | 9 Ų | 9 | 59.4 Ų | 59.4 | 5% | 0.046 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -70.8 | -44.4 | 179.1 | -72.5 | 159.9 | 0 | 0 | 0 | 111.6 | L890 A902 L903 E904 F908 L909 K910 V1020 L1024 V1047 | L890-I906 HydrophobicContact CD1-CD1 4.02Å; L890-I906 HydrophobicContact CD1-CG1 3.9Å; L890-I906 HydrophobicContact CD2-CG1 4.14Å; A902-I906 WeakPolarHBondContact O-CB 3.35Å; A902-I906 VanDerWaalsContact O-CD1 3.25Å; A902-I906 WeakPolarHBondContact O-CD1 3.36Å; A902-I906 WeakPolarHBondContact O-CG1 3.47Å; A902-I906 PolarHBondContact O-N 3.19Å; L903-I906 PolarHBondContact O-N 3.21Å; E904-I906 VanDerWaalsContact C-N 3.27Å; E904-I906 PolarHBondContact O-N 3.34Å; I906-F908 VanDerWaalsContact C-N 3.27Å; I906-F908 PolarHBondContact O-N 3.13Å; I906-L909 PolarHBondContact O-N 2.82Å; I906-K910 HydrophobicContact CG2-CD 4.38Å; I906-K910 WeakPolarHBondContact O-CB 3.3Å; I906-K910 WeakPolarHBondContact O-CG 3.31Å; I906-K910 PolarHBondContact O-N 2.88Å; I906-V1020 HydrophobicContact CG1-CG1 4.08Å; I906-V1020 HydrophobicContact CG2-CG1 4.12Å; I906-L1024 HydrophobicContact CD1-CD1 4.28Å; I906-L1024 HydrophobicContact CD1-CD2 3.8Å; I906-V1047 HydrophobicContact CD1-CG1 3.25Å |
| 907 | R | 80.6 | Confident | 74.1 | Confident | 157 Ų | 157 | 60.1 Ų | 60.1 | 59% | 0.592 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -57.8 | -45.2 | 173.1 | -79.6 | -179.3 | 176.2 | 168.5 | 1.8 | 110.4 | L903 E904 K910 S911 | L903-R907 WeakPolarHBondContact O-CB 3.31Å; L903-R907 WeakPolarHBondContact O-CG 3.28Å; L903-R907 PolarHBondContact O-N 2.91Å; E904-R907 PolarHBondContact O-N 3.3Å; R907-K910 PolarHBondContact O-N 2.7Å; R907-S911 PolarHBondContact O-N 3.33Å |
| 908 | F | 74.1 | Confident | 72.1 | Confident | 70 Ų | 70 | 65.7 Ų | 65.7 | 31% | 0.307 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.4 | -47.3 | 178.8 | -170.6 | -98.6 | 0 | 0 | 0 | 112.2 | F870 I871 E904 I905 I906 K910 S911 I912 | F870-F908 HydrophobicContact CD1-CE1 4.5Å; F870-F908 AromaticContact CE1-CD1 3.97Å; F870-F908 HydrophobicContact CE1-CD1 3.97Å; F870-F908 AromaticContact CE1-CE1 3.82Å; F870-F908 HydrophobicContact CE1-CE1 3.82Å; I871-F908 HydrophobicContact CG1-CZ 4.48Å; E904-F908 WeakPolarHBondContact O-CB 3.34Å; E904-F908 PolarHBondContact O-N 3.06Å; I905-F908 PolarHBondContact O-N 2.84Å; I906-F908 VanDerWaalsContact C-N 3.27Å; I906-F908 PolarHBondContact O-N 3.13Å; F908-K910 VanDerWaalsContact C-N 3.32Å; F908-K910 PolarHBondContact O-N 3.3Å; F908-S911 PolarHBondContact O-N 3.1Å; F908-S911 PolarHBondContact O-OG 2.9Å; F908-I912 PolarHBondContact O-N 2.86Å |
| 909 | L | 74.6 | Confident | 69.8 | Low | 10 Ų | 10 | 64.5 Ų | 64.5 | 5% | 0.052 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.3 | -37.1 | 174.9 | -75.5 | 169.1 | 0 | 0 | 0 | 112.9 | A886 L890 I905 I906 S911 I912 M1016 V1020 | A886-L909 HydrophobicContact CB-CD1 4.14Å; A886-L909 HydrophobicContact CB-CD2 3.65Å; A886-L909 HydrophobicContact CB-CG 4.39Å; L890-L909 HydrophobicContact CD2-CD1 4.4Å; I905-L909 HydrophobicContact CG2-CD1 3.79Å; I905-L909 HydrophobicContact CG2-CG 4.3Å; I905-L909 WeakPolarHBondContact O-CB 3.49Å; I905-L909 VanDerWaalsContact O-CG 3.24Å; I905-L909 WeakPolarHBondContact O-CG 3.18Å; I905-L909 PolarHBondContact O-N 2.95Å; I906-L909 PolarHBondContact O-N 2.82Å; L909-S911 VanDerWaalsContact C-N 3.25Å; L909-S911 PolarHBondContact O-N 2.94Å; L909-I912 HydrophobicContact CD2-CD1 4.17Å; L909-I912 PolarHBondContact O-N 2.79Å; L909-M1016 VanDerWaalsContact O-SD 3.42Å; L909-V1020 HydrophobicContact CB-CG2 4.25Å; L909-V1020 HydrophobicContact CD1-CG2 4.2Å |
| 910 | K | 76.7 | Confident | 67.6 | Low | 104 Ų | 104 | 68.2 Ų | 68.2 | 45% | 0.452 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -69 | -21.7 | 174.4 | -75 | -170.7 | 178.9 | -151.6 | 0 | 113.4 | I906 R907 F908 E1017 | I906-K910 HydrophobicContact CG2-CD 4.38Å; I906-K910 WeakPolarHBondContact O-CB 3.3Å; I906-K910 WeakPolarHBondContact O-CG 3.31Å; I906-K910 PolarHBondContact O-N 2.88Å; R907-K910 PolarHBondContact O-N 2.7Å; F908-K910 VanDerWaalsContact C-N 3.32Å; F908-K910 PolarHBondContact O-N 3.3Å; K910-E1017 WeakPolarHBondContact CE-OE1 3.27Å; K910-E1017 IonicContact NZ-OE1 3.93Å; K910-E1017 PolarHBondContact NZ-OE1 2.88Å |
| 911 | S | 73.7 | Confident | 65.5 | Low | 85 Ų | 85 | 67.9 Ų | 67.9 | 59% | 0.594 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -7.5 | 176 | 63.4 | 0 | 0 | 0 | 0 | 114.9 | R907 F908 L909 D913 | R907-S911 PolarHBondContact O-N 3.33Å; F908-S911 PolarHBondContact O-N 3.1Å; F908-S911 PolarHBondContact O-OG 2.9Å; L909-S911 VanDerWaalsContact C-N 3.25Å; L909-S911 PolarHBondContact O-N 2.94Å; S911-D913 PolarHBondContact O-N 3.5Å |
| 912 | I | 67.6 | Low | 63.2 | Low | 23 Ų | 23 | 75.4 Ų | 75.4 | 12% | 0.118 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -79.9 | 111 | 174.9 | -53.9 | 174.9 | 0 | 0 | 0 | 108.2 | F908 L909 M1016 | F908-I912 PolarHBondContact O-N 2.86Å; L909-I912 HydrophobicContact CD2-CD1 4.17Å; L909-I912 PolarHBondContact O-N 2.79Å; I912-M1016 HydrophobicContact CB-CE 3.75Å; I912-M1016 HydrophobicContact CB-SD 4.11Å; I912-M1016 HydrophobicContact CD1-SD 4.49Å; I912-M1016 HydrophobicContact CG2-CE 3.76Å; I912-M1016 VanDerWaalsContact O-CE 3.27Å; I912-M1016 WeakPolarHBondContact O-CE 3.38Å |
| 913 | D | 60.2 | Low | 60.4 | Low | 96 Ų | 96 | 80.1 Ų | 80.1 | 51% | 0.513 | 44% | 0.435 | S | S | . | . | trans | -67 | 134.1 | -176 | -148.7 | -19.3 | 0 | 0 | 0 | 110.5 | S911 S915 D916 | S911-D913 PolarHBondContact O-N 3.5Å; D913-S915 PolarHBondContact O-N 2.85Å; D913-D916 PolarHBondContact O-N 3.26Å | ||
| 914 | P | 58.9 | Low | 57.7 | Low | 67 Ų | 67 | 83.5 Ų | 83.5 | 44% | 0.435 | 46% | 0.458 | S | S | . | . | G | 310 helix | trans | -59.3 | -20 | 179.2 | -28.1 | 37.6 | 0 | 0 | 0 | 114.5 | D916 M917 | P914-D916 VanDerWaalsContact C-N 3.35Å; P914-M917 HydrophobicContact CB-SD 4.31Å; P914-M917 VanDerWaalsContact O-CB 3.27Å; P914-M917 WeakPolarHBondContact O-CB 3.49Å; P914-M917 VanDerWaalsContact O-CG 3.3Å; P914-M917 WeakPolarHBondContact O-CG 3.35Å; P914-M917 PolarHBondContact O-N 3.02Å |
| 915 | S | 55.8 | Low | 55.1 | Low | 76 Ų | 76 | 84.1 Ų | 84.1 | 53% | 0.531 | 47% | 0.465 | S | S | . | . | G | 310 helix | trans | -67.6 | -28.4 | 173.4 | 40.6 | 0 | 0 | 0 | 0 | 114.1 | D913 M917 | D913-S915 PolarHBondContact O-N 2.85Å; S915-M917 PolarHBondContact O-N 2.83Å; S915-M917 VanDerWaalsContact O-N 3.17Å |
| 916 | D | 54.9 | Low | 52.4 | Low | 89 Ų | 89 | 91 Ų | 91 | 48% | 0.476 | 50% | 0.501 | S | S | . | . | G | 310 helix | trans | -75.2 | 0.1 | 177.6 | -65.4 | -15.8 | 0 | 0 | 0 | 112.5 | T879 D913 P914 S919 | T879-D916 PolarHBondContact OG1-O 2.99Å; D913-D916 PolarHBondContact O-N 3.26Å; P914-D916 VanDerWaalsContact C-N 3.35Å; D916-S919 PolarHBondContact O-OG 3.33Å |
| 917 | M | 51.3 | Low | 49.8 | Very low | 74 Ų | 74 | 98.3 Ų | 98.3 | 37% | 0.365 | 53% | 0.532 | S | S | . | . | G | 310 helix | trans | -76.6 | -26.5 | 177.9 | -66.9 | 178.3 | 34 | 0 | 0 | 114 | T879 K883 P914 S915 | T879-M917 HydrophobicContact CG2-CG 4.38Å; K883-M917 PolarHBondContact NZ-SD 3.15Å; P914-M917 HydrophobicContact CB-SD 4.31Å; P914-M917 VanDerWaalsContact O-CB 3.27Å; P914-M917 WeakPolarHBondContact O-CB 3.49Å; P914-M917 VanDerWaalsContact O-CG 3.3Å; P914-M917 WeakPolarHBondContact O-CG 3.35Å; P914-M917 PolarHBondContact O-N 3.02Å; S915-M917 PolarHBondContact O-N 2.83Å; S915-M917 VanDerWaalsContact O-N 3.17Å |
| 918 | D | 43.5 | Very low | 47.1 | Very low | 150 Ų | 150 | 97.6 Ų | 97.6 | 80% | 0.802 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -104.6 | -6.2 | -171.5 | -68.6 | -31.4 | 0 | 0 | 0 | 113.5 | ||
| 919 | S | 37.4 | Very low | 44.9 | Very low | 59 Ų | 59 | 102.8 Ų | 102.8 | 41% | 0.413 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -81.6 | 129.9 | 169.5 | 48.2 | 0 | 0 | 0 | 0 | 111.2 | D916 | D916-S919 PolarHBondContact O-OG 3.33Š|
| 920 | P | 35.9 | Very low | 42.6 | Very low | 103 Ų | 103 | 113.7 Ų | 113.7 | 67% | 0.669 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 153.7 | 169.7 | 29.6 | -34.7 | 0 | 0 | 0 | 110 | I922 | P920-I922 PolarHBondContact O-N 2.74Š|
| 921 | P | 36.9 | Very low | 40.1 | Very low | 74 Ų | 74 | 114.3 Ų | 114.3 | 48% | 0.481 | 63% | 0.626 | S | S | . | * | P | Polyproline II helix | trans | -56.2 | 132 | 177.3 | 24.5 | -33.7 | 0 | 0 | 0 | 109.7 | T923 | P921-T923 PolarHBondContact O-N 3.03Š|
| 922 | I | 33.5 | Very low | 38 | Very low | 167 Ų | 167 | 115.1 Ų | 115.1 | 86% | 0.856 | 64% | 0.638 | S | S | * | * | trans | -75.2 | 71.1 | 177.3 | -54.3 | 178.6 | 0 | 0 | 0 | 108.3 | P920 P924 | P920-I922 PolarHBondContact O-N 2.74Å; I922-P924 WeakPolarHBondContact O-CD 3.49Å | ||
| 923 | T | 26.7 | Very low | 36.1 | Very low | 98 Ų | 98 | 122.4 Ų | 122.4 | 60% | 0.601 | 67% | 0.671 | S | S | * | * | trans | -71.8 | 120.9 | 164.9 | -42.7 | 0 | 0 | 0 | 0 | 107 | P921 L925 | P921-T923 PolarHBondContact O-N 3.03Å; T923-L925 PolarHBondContact O-N 3.07Å | ||
| 924 | P | 25.2 | Very low | 34.5 | Very low | 102 Ų | 102 | 123.9 Ų | 123.9 | 66% | 0.662 | 69% | 0.686 | S | S | * | * | trans | -65 | 109.2 | 172.7 | 26.4 | -32.1 | 0 | 0 | 0 | 108.3 | I922 I926 | I922-P924 WeakPolarHBondContact O-CD 3.49Å; P924-I926 PolarHBondContact O-N 3.02Å | ||
| 925 | L | 24.6 | Very low | 32.8 | Very low | 146 Ų | 146 | 131.7 Ų | 131.7 | 76% | 0.764 | 71% | 0.707 | S | S | * | * | trans | -69.4 | 82.6 | 174 | -77.1 | 171.5 | 0 | 0 | 0 | 109.6 | T923 F927 | T923-L925 PolarHBondContact O-N 3.07Å; L925-F927 VanDerWaalsContact C-N 3.34Å; L925-F927 PolarHBondContact O-N 3.25Å | ||
| 926 | I | 26.4 | Very low | 31.4 | Very low | 152 Ų | 152 | 134.8 Ų | 134.8 | 78% | 0.779 | 72% | 0.722 | S | S | * | * | trans | -65.4 | 99.2 | 164.9 | -61.2 | -179.9 | 0 | 0 | 0 | 107.2 | P924 T928 | P924-I926 PolarHBondContact O-N 3.02Å; I926-T928 PolarHBondContact O-N 3.45Å; I926-T928 VanDerWaalsContact O-N 3.1Å | ||
| 927 | F | 27.9 | Very low | 29.9 | Very low | 163 Ų | 163 | 135.6 Ų | 135.6 | 72% | 0.715 | 74% | 0.735 | S | S | * | * | trans | -60.4 | 110.7 | 178.8 | -98.8 | -90.2 | 0 | 0 | 0 | 111 | L925 K929 | L925-F927 VanDerWaalsContact C-N 3.34Å; L925-F927 PolarHBondContact O-N 3.25Å; F927-K929 PolarHBondContact O-N 3.33Å | ||
| 928 | T | 23.9 | Very low | 28.8 | Very low | 141 Ų | 141 | 139.6 Ų | 139.6 | 87% | 0.865 | 76% | 0.756 | S | S | * | * | trans | -70.3 | 95.4 | 159.2 | 53 | 0 | 0 | 0 | 0 | 109.2 | I926 | I926-T928 PolarHBondContact O-N 3.45Å; I926-T928 VanDerWaalsContact O-N 3.1Å | ||
| 929 | K | 28.1 | Very low | 27.8 | Very low | 179 Ų | 179 | 140.1 Ų | 140.1 | 78% | 0.778 | 76% | 0.757 | S | S | * | * | trans | -124.2 | 128.5 | 162.8 | -90.7 | -171.7 | 175.4 | 178.6 | 0 | 111.2 | F927 | F927-K929 PolarHBondContact O-N 3.33Š| ||
| 930 | R | 25.4 | Very low | 27.3 | Very low | 240 Ų | 240 | 142.3 Ų | 142.3 | 91% | 0.906 | 77% | 0.773 | S | S | * | * | trans | -71.6 | 141.4 | 174.5 | -71.9 | 175.6 | 168.6 | 173.3 | -5 | 110.9 | ||||
| 931 | S | 25.3 | Very low | 26.8 | Very low | 117 Ų | 117 | 142.8 Ų | 142.8 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | 50.3 | 105.6 | 149.7 | 63.7 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 932 | A | 28.5 | Very low | 26.2 | Very low | 102 Ų | 102 | 144.5 Ų | 144.5 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | -157.5 | 143.9 | 126.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 933 | Q | 27.4 | Very low | 26 | Very low | 176 Ų | 176 | 143.9 Ų | 143.9 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | trans | -71.5 | 159 | 176.9 | -66 | -178.8 | -25.1 | 0 | 0 | 111.5 | ||||
| 934 | P | 26.6 | Very low | 26 | Very low | 126 Ų | 126 | 148.1 Ų | 148.1 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | -137.1 | 162.6 | 106.5 | 37.2 | -26.8 | 0 | 0 | 0 | 114.9 | |||||
| 935 | R | 23.5 | Very low | 26 | Very low | 231 Ų | 231 | 151 Ų | 151 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | trans | -80.9 | 132.8 | 173.7 | -61.1 | 166.6 | 172.1 | 156.1 | -5.3 | 110.9 | ||||
| 936 | V | 26.8 | Very low | 26 | Very low | 141 Ų | 141 | 152.6 Ų | 152.6 | 86% | 0.855 | 81% | 0.811 | S | S | * | * | trans | -145 | 141 | 137.4 | -179.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 937 | S | 23.7 | Very low | 26 | Very low | 106 Ų | 106 | 153.3 Ų | 153.3 | 74% | 0.741 | 82% | 0.817 | S | S | * | * | trans | -89.5 | 131.5 | -179.9 | 50.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 938 | I | 27.9 | Very low | 25.8 | Very low | 159 Ų | 159 | 153.4 Ų | 153.4 | 82% | 0.815 | 82% | 0.821 | S | S | * | * | trans | -132.3 | 135.9 | 151.9 | -64.5 | -175.4 | 0 | 0 | 0 | 108.3 | ||||
| 939 | I | 23.1 | Very low | 25.8 | Very low | 160 Ų | 160 | 157.2 Ų | 157.2 | 82% | 0.821 | 83% | 0.826 | S | S | * | * | trans | -83.9 | 124.7 | -180 | -65.5 | 160.3 | 0 | 0 | 0 | 108.5 | ||||
| 940 | S | 25.7 | Very low | 25.8 | Very low | 106 Ų | 106 | 154.1 Ų | 154.1 | 74% | 0.741 | 82% | 0.822 | S | S | * | * | trans | -108.9 | 128.5 | 166.5 | -59.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 941 | P | 25.1 | Very low | 25.9 | Very low | 112 Ų | 112 | 151.8 Ų | 151.8 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | trans | -71.6 | 135.9 | 177 | 30 | -33.1 | 0 | 0 | 0 | 110.1 | N943 | P941-N943 PolarHBondContact O-N 3.47Å; P941-N943 VanDerWaalsContact O-N 3.1Å | ||
| 942 | S | 25.6 | Very low | 25.9 | Very low | 111 Ų | 111 | 150.5 Ų | 150.5 | 78% | 0.776 | 81% | 0.811 | S | S | * | * | trans | -72 | 100.6 | 176.1 | 53.3 | 0 | 0 | 0 | 0 | 110.7 | K944 | S942-K944 PolarHBondContact O-N 2.83Š| ||
| 943 | N | 27.9 | Very low | 25.9 | Very low | 154 Ų | 154 | 149.4 Ų | 149.4 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | trans | -67.5 | 122.8 | 158.8 | -81 | -13.3 | 0 | 0 | 0 | 108.3 | P941 | P941-N943 PolarHBondContact O-N 3.47Å; P941-N943 VanDerWaalsContact O-N 3.1Å | ||
| 944 | K | 28.4 | Very low | 26 | Very low | 186 Ų | 186 | 152.5 Ų | 152.5 | 81% | 0.809 | 82% | 0.815 | S | S | * | * | trans | -80.2 | 138.6 | 169.5 | -72.8 | 177.9 | 174.3 | 177.9 | 0 | 109.1 | S942 E946 | S942-K944 PolarHBondContact O-N 2.83Å; K944-E946 PolarHBondContact O-N 2.84Å | ||
| 945 | D | 25.4 | Very low | 26 | Very low | 164 Ų | 164 | 150.3 Ų | 150.3 | 88% | 0.877 | 82% | 0.816 | S | S | * | * | trans | -64.7 | 110 | 171.5 | -61.9 | -67 | 0 | 0 | 0 | 111.2 | ||||
| 946 | E | 24.1 | Very low | 26.2 | Very low | 178 Ų | 178 | 143.1 Ų | 143.1 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | trans | -115.2 | 75 | 162.3 | -72.9 | -165.4 | 175.3 | 0 | 0 | 109.7 | K944 | K944-E946 PolarHBondContact O-N 2.84Š| ||
| 947 | N | 24.9 | Very low | 26.3 | Very low | 168 Ų | 168 | 141.7 Ų | 141.7 | 90% | 0.898 | 81% | 0.81 | S | S | * | * | trans | -142.9 | 64.5 | 167.5 | -99.4 | -34.5 | 0 | 0 | 0 | 110.5 | ||||
| 948 | M | 24.7 | Very low | 26.4 | Very low | 164 Ų | 164 | 147.7 Ų | 147.7 | 81% | 0.808 | 82% | 0.816 | S | S | * | * | trans | -143.7 | 74.8 | 170.7 | -172.2 | 135.8 | 65.2 | 0 | 0 | 112.3 | V950 | M948-V950 HydrophobicContact CG-CG2 3.75Å; M948-V950 PolarHBondContact O-N 2.84Å; M948-V950 HydrophobicContact SD-CG2 4.19Å | ||
| 949 | F | 24.2 | Very low | 26.4 | Very low | 222 Ų | 222 | 145 Ų | 145 | 97% | 0.974 | 81% | 0.812 | S | S | * | * | trans | -83.2 | 89.2 | 163.3 | -90.9 | -87.5 | 0 | 0 | 0 | 110 | ||||
| 950 | V | 27.1 | Very low | 26.7 | Very low | 113 Ų | 113 | 148.5 Ų | 148.5 | 69% | 0.685 | 82% | 0.815 | S | S | * | * | trans | -90.2 | 136.9 | 168.2 | 168.8 | 0 | 0 | 0 | 0 | 109.4 | M948 A952 | M948-V950 HydrophobicContact CG-CG2 3.75Å; M948-V950 PolarHBondContact O-N 2.84Å; M948-V950 HydrophobicContact SD-CG2 4.19Å; V950-A952 PolarHBondContact O-N 3.4Å | ||
| 951 | Y | 27.5 | Very low | 26.7 | Very low | 191 Ų | 191 | 151.7 Ų | 151.7 | 75% | 0.749 | 82% | 0.818 | S | S | * | * | trans | -51.8 | 122.2 | 175 | -95.4 | -107.4 | 0 | 0 | 0 | 112 | L650 | L650-Y951 HydrophobicContact CD1-CE1 4.34Š| ||
| 952 | A | 26.5 | Very low | 26.9 | Very low | 91 Ų | 91 | 155.6 Ų | 155.6 | 75% | 0.752 | 83% | 0.826 | S | S | * | * | trans | -103.3 | 99.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | V950 | V950-A952 PolarHBondContact O-N 3.4Š| ||
| 953 | G | 28 | Very low | 27 | Very low | 78 Ų | 78 | 155.4 Ų | 155.4 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | trans | -86.3 | 133.1 | 163.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 954 | Y | 28.4 | Very low | 26.9 | Very low | 241 Ų | 241 | 155.3 Ų | 155.3 | 95% | 0.945 | 83% | 0.83 | S | S | * | * | trans | -79.3 | 137.9 | -176.6 | -92.4 | -96.6 | 0 | 0 | 0 | 114.1 | ||||
| 955 | G | 26.6 | Very low | 26.8 | Very low | 81 Ų | 81 | 149.6 Ų | 149.6 | 84% | 0.835 | 82% | 0.824 | S | S | * | * | trans | 106.7 | 110.3 | 142.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 956 | G | 27.8 | Very low | 26.8 | Very low | 80 Ų | 80 | 147 Ų | 147 | 83% | 0.825 | 83% | 0.825 | S | S | * | * | trans | 168.3 | 49.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 957 | S | 29.2 | Very low | 27 | Very low | 110 Ų | 110 | 143.4 Ų | 143.4 | 77% | 0.769 | 83% | 0.826 | S | S | * | * | trans | 41 | 113.3 | 156.9 | -85.4 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 958 | R | 26.7 | Very low | 27.2 | Very low | 232 Ų | 232 | 139.3 Ų | 139.3 | 88% | 0.875 | 82% | 0.815 | S | S | * | * | 66.8 | 121.8 | 124.6 | -69.3 | -179.3 | 163.9 | 178.8 | -3.6 | 122.7 | |||||
| 959 | S | 27.4 | Very low | 27.3 | Very low | 104 Ų | 104 | 137.8 Ų | 137.8 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | trans | 72.8 | 136.7 | 135.7 | -179.3 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 960 | R | 29.8 | Very low | 27.5 | Very low | 233 Ų | 233 | 132.6 Ų | 132.6 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | cis | -156.3 | 164 | 10.4 | -128 | 167.9 | -163.3 | 167.1 | 3.1 | 109.4 | ||||
| 961 | H | 24.7 | Very low | 27.4 | Very low | 173 Ų | 173 | 134.9 Ų | 134.9 | 80% | 0.801 | 80% | 0.804 | S | S | * | * | trans | -68.1 | 152.2 | 170.2 | -55.6 | -77.8 | 0 | 0 | 0 | 112.8 | ||||
| 962 | H | 29.8 | Very low | 27.6 | Very low | 193 Ų | 193 | 130 Ų | 130 | 89% | 0.894 | 80% | 0.803 | S | S | * | * | -168.6 | 150.3 | 117.9 | -95.2 | -60.4 | 0 | 0 | 0 | 111.9 | |||||
| 963 | S | 27.1 | Very low | 27.5 | Very low | 108 Ų | 108 | 133.5 Ų | 133.5 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | trans | -112.2 | 119.2 | -174.9 | 53.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 964 | T | 27.5 | Very low | 27.5 | Very low | 151 Ų | 151 | 133.1 Ų | 133.1 | 93% | 0.926 | 81% | 0.805 | S | S | * | * | trans | -174.8 | 148 | 157.2 | 29.4 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 965 | G | 25.8 | Very low | 27.6 | Very low | 67 Ų | 67 | 127.9 Ų | 127.9 | 69% | 0.691 | 80% | 0.801 | S | S | * | * | cis | 157.6 | 141.9 | 5.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 966 | A | 24.6 | Very low | 27.5 | Very low | 110 Ų | 110 | 128.4 Ų | 128.4 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | trans | 53.2 | 103.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 967 | A | 28.2 | Very low | 27.5 | Very low | 101 Ų | 101 | 133.4 Ų | 133.4 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | trans | -134.4 | 94.6 | 152.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 968 | A | 29.7 | Very low | 27.3 | Very low | 83 Ų | 83 | 133.7 Ų | 133.7 | 69% | 0.686 | 81% | 0.806 | S | S | * | * | trans | 41.2 | 99.5 | 136.6 | 0 | 0 | 0 | 0 | 0 | 119 | V970 | A968-V970 VanDerWaalsContact C-N 3.34Å; A968-V970 HydrophobicContact CB-CG2 3.95Å; A968-V970 PolarHBondContact O-N 2.78Å | ||
| 969 | V | 26.1 | Very low | 27.3 | Very low | 131 Ų | 131 | 133.9 Ų | 133.9 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | trans | -64.3 | 97.3 | 147.5 | 176.4 | 0 | 0 | 0 | 0 | 107.5 | H971 | V969-H971 PolarHBondContact O-N 2.79Š| ||
| 970 | V | 29.7 | Very low | 27.3 | Very low | 114 Ų | 114 | 137.4 Ų | 137.4 | 69% | 0.691 | 82% | 0.817 | S | S | * | * | trans | -87.4 | 100.7 | 170.6 | -179.7 | 0 | 0 | 0 | 0 | 108 | A968 A972 | A968-V970 VanDerWaalsContact C-N 3.34Å; A968-V970 HydrophobicContact CB-CG2 3.95Å; A968-V970 PolarHBondContact O-N 2.78Å; V970-A972 HydrophobicContact CG1-CB 4.5Å; V970-A972 PolarHBondContact O-N 2.85Å | ||
| 971 | H | 24.6 | Very low | 27.1 | Very low | 161 Ų | 161 | 131.4 Ų | 131.4 | 75% | 0.745 | 81% | 0.81 | S | S | * | * | trans | -61.4 | 116.7 | 156.5 | -80 | -95.2 | 0 | 0 | 0 | 108.1 | V969 | V969-H971 PolarHBondContact O-N 2.79Š| ||
| 972 | A | 31.1 | Very low | 27 | Very low | 88 Ų | 88 | 128.8 Ų | 128.8 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | trans | -119.2 | 92.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | V970 | V970-A972 HydrophobicContact CG1-CB 4.5Å; V970-A972 PolarHBondContact O-N 2.85Å | ||
| 973 | D | 25 | Very low | 26.9 | Very low | 164 Ų | 164 | 124.8 Ų | 124.8 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | trans | -64 | 131.8 | 166.5 | -71 | -58.4 | 0 | 0 | 0 | 109.7 | ||||
| 974 | G | 27.6 | Very low | 26.7 | Very low | 70 Ų | 70 | 129.1 Ų | 129.1 | 72% | 0.722 | 81% | 0.813 | S | S | * | * | trans | 177.9 | 97.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 975 | P | 29.9 | Very low | 26.6 | Very low | 132 Ų | 132 | 129 Ų | 129 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | trans | -94.8 | 130.1 | -169.6 | 34.1 | -32.6 | 0 | 0 | 0 | 113.4 | ||||
| 976 | A | 26 | Very low | 26.6 | Very low | 92 Ų | 92 | 132 Ų | 132 | 76% | 0.76 | 82% | 0.816 | S | S | * | * | trans | -173.6 | 108.5 | 147.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 977 | L | 26.8 | Very low | 26.5 | Very low | 184 Ų | 184 | 130.9 Ų | 130.9 | 96% | 0.963 | 81% | 0.807 | S | S | * | * | trans | -174.6 | 62 | 134.8 | -100.9 | 172.3 | 0 | 0 | 0 | 110.2 | ||||
| 978 | S | 24.9 | Very low | 26.3 | Very low | 117 Ų | 117 | 129 Ų | 129 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -125.3 | 90.7 | 168.2 | 50.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 979 | R | 26.2 | Very low | 26 | Very low | 235 Ų | 235 | 137.8 Ų | 137.8 | 89% | 0.887 | 81% | 0.813 | S | S | * | * | trans | -137.5 | 142.2 | 163.3 | -74.2 | -171 | 179.6 | 178.1 | 1.5 | 107.6 | ||||
| 980 | L | 28.1 | Very low | 25.9 | Very low | 178 Ų | 178 | 140.3 Ų | 140.3 | 93% | 0.932 | 82% | 0.816 | S | S | * | * | S | Bend | trans | 73.4 | 122.2 | -160 | -49.7 | 167.7 | 0 | 0 | 0 | 113.1 | ||
| 981 | S | 25.9 | Very low | 25.7 | Very low | 107 Ų | 107 | 143.2 Ų | 143.2 | 75% | 0.748 | 82% | 0.824 | S | S | * | * | cis | -161.5 | 120.7 | -33.2 | -172.1 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 982 | S | 23.4 | Very low | 25.8 | Very low | 118 Ų | 118 | 144.4 Ų | 144.4 | 83% | 0.825 | 83% | 0.83 | S | S | * | * | trans | -125.8 | 90.2 | 173.6 | 57.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 983 | C | 27.4 | Very low | 25.4 | Very low | 110 Ų | 110 | 150.2 Ų | 150.2 | 74% | 0.743 | 84% | 0.839 | S | S | * | * | trans | -107.1 | 99.2 | 159.8 | -78 | 0 | 0 | 0 | 0 | 108 | L985 | C983-L985 PolarHBondContact O-N 3.27Å; C983-L985 VanDerWaalsContact O-N 3.15Å | ||
| 984 | E | 22.2 | Very low | 25.3 | Very low | 198 Ų | 198 | 145.5 Ų | 145.5 | 93% | 0.925 | 83% | 0.829 | S | S | * | * | trans | -63.4 | 109.9 | 157.3 | -67.3 | -175.7 | 143.4 | 0 | 0 | 107.9 | ||||
| 985 | L | 25.6 | Very low | 25.1 | Very low | 148 Ų | 148 | 150.3 Ų | 150.3 | 78% | 0.775 | 84% | 0.837 | S | S | * | * | trans | -130.8 | 112.4 | 164.2 | -96.5 | 165.1 | 0 | 0 | 0 | 108 | C983 A987 | C983-L985 PolarHBondContact O-N 3.27Å; C983-L985 VanDerWaalsContact O-N 3.15Å; L985-A987 PolarHBondContact O-N 2.93Å | ||
| 986 | S | 24.7 | Very low | 24.8 | Very low | 131 Ų | 131 | 153.2 Ų | 153.2 | 92% | 0.916 | 84% | 0.841 | S | S | * | * | trans | -63.7 | 95.5 | 169.1 | 43.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 987 | A | 23.6 | Very low | 24.9 | Very low | 87 Ų | 87 | 153 Ų | 153 | 72% | 0.719 | 84% | 0.84 | S | S | * | * | trans | -134.4 | 106.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L985 | L985-A987 PolarHBondContact O-N 2.93Š| ||
| 988 | G | 23.5 | Very low | 24.8 | Very low | 62 Ų | 62 | 153.6 Ų | 153.6 | 64% | 0.639 | 84% | 0.835 | S | S | * | * | trans | 40.8 | 98.5 | 149.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | E990 | G988-E990 PolarHBondContact O-N 2.84Š| ||
| 989 | W | 24.2 | Very low | 24.8 | Very low | 266 Ų | 266 | 157.4 Ų | 157.4 | 100% | 1.008 | 84% | 0.84 | S | S | * | * | trans | -68.7 | 76.7 | 138.8 | -69.4 | -13 | 0 | 0 | 0 | 109.1 | M991 | W989-M991 PolarHBondContact O-N 3.3Š| ||
| 990 | E | 22.6 | Very low | 24.8 | Very low | 185 Ų | 185 | 156 Ų | 156 | 86% | 0.864 | 84% | 0.84 | S | S | * | * | trans | -75.7 | 76.3 | 167.8 | -72.8 | -155.6 | 133.8 | 0 | 0 | 110.1 | G988 H992 | G988-E990 PolarHBondContact O-N 2.84Å; E990-H992 PolarHBondContact O-N 2.89Å | ||
| 991 | M | 26.7 | Very low | 24.6 | Very low | 174 Ų | 174 | 152.2 Ų | 152.2 | 86% | 0.857 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 123.4 | 158.6 | -141.4 | -177.5 | 96.8 | 0 | 0 | 107.8 | W989 K993 | W989-M991 PolarHBondContact O-N 3.3Å; M991-K993 PolarHBondContact O-N 2.88Å |
| 992 | H | 27.4 | Very low | 24.6 | Very low | 186 Ų | 186 | 153 Ų | 153 | 86% | 0.861 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 126.4 | -179 | -109.1 | -97.3 | 0 | 0 | 0 | 111.3 | E990 | E990-H992 PolarHBondContact O-N 2.89Š|
| 993 | K | 22.3 | Very low | 24.6 | Very low | 210 Ų | 210 | 155.4 Ų | 155.4 | 91% | 0.913 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 141.6 | 179.8 | -66.1 | 166.3 | 177.2 | 165.3 | 0 | 112 | M991 | M991-K993 PolarHBondContact O-N 2.88Š|
| 994 | G | 22.5 | Very low | 24.4 | Very low | 65 Ų | 65 | 157 Ų | 157 | 67% | 0.67 | 84% | 0.839 | S | S | * | * | trans | 173.4 | 99.1 | 161.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 995 | L | 23.3 | Very low | 24.8 | Very low | 171 Ų | 171 | 156 Ų | 156 | 90% | 0.895 | 84% | 0.839 | S | S | * | * | trans | 63.3 | 92.9 | 164.9 | -63.9 | 135.7 | 0 | 0 | 0 | 117.8 | ||||
| 996 | M | 24.1 | Very low | 24.8 | Very low | 193 Ų | 193 | 156 Ų | 156 | 95% | 0.951 | 85% | 0.845 | S | S | * | * | -148.2 | 137.5 | 111.4 | -89.8 | -51.8 | 166.7 | 0 | 0 | 109.2 | |||||
| 997 | A | 27.2 | Very low | 24.9 | Very low | 89 Ų | 89 | 153 Ų | 153 | 74% | 0.736 | 84% | 0.835 | S | S | * | * | trans | -106.4 | 146.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 998 | K | 24.2 | Very low | 25 | Very low | 195 Ų | 195 | 156.8 Ų | 156.8 | 85% | 0.848 | 84% | 0.843 | S | S | * | * | trans | 26.4 | 123 | 156.2 | -65.5 | 178.9 | 174.7 | 179.5 | 0 | 117.9 | ||||
| 999 | E | 26.8 | Very low | 25.1 | Very low | 197 Ų | 197 | 158.7 Ų | 158.7 | 92% | 0.921 | 85% | 0.847 | S | S | * | * | -158.3 | 170.3 | 91.2 | -116 | 174.1 | 177.5 | 0 | 0 | 113.9 | |||||
| 1000 | K | 25.4 | Very low | 25.3 | Very low | 205 Ų | 205 | 155.1 Ų | 155.1 | 89% | 0.891 | 84% | 0.839 | S | S | * | * | trans | -100.2 | 157.9 | -173.2 | -86.2 | -177.9 | 171.2 | -176.9 | 0 | 111.9 | ||||
| 1001 | A | 24.2 | Very low | 25.5 | Very low | 100 Ų | 100 | 152.7 Ų | 152.7 | 83% | 0.826 | 84% | 0.837 | S | S | * | * | trans | -55.1 | 146.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1002 | S | 25.9 | Very low | 25.9 | Very low | 123 Ų | 123 | 149.9 Ų | 149.9 | 86% | 0.86 | 83% | 0.829 | S | S | * | * | -161.5 | 166 | 122.3 | 55.1 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 1003 | E | 23.4 | Very low | 26.6 | Very low | 169 Ų | 169 | 146.4 Ų | 146.4 | 79% | 0.79 | 83% | 0.826 | S | S | * | * | trans | -91.5 | 164.9 | -163.6 | -56.9 | 167.9 | 127.9 | 0 | 0 | 114.3 | ||||
| 1004 | N | 23.7 | Very low | 28.1 | Very low | 142 Ų | 142 | 141.5 Ų | 141.5 | 76% | 0.759 | 81% | 0.813 | S | S | * | * | trans | 63.9 | 104.4 | 155.1 | -60.9 | -35.8 | 0 | 0 | 0 | 118.9 | ||||
| 1005 | L | 29.2 | Very low | 30.1 | Very low | 177 Ų | 177 | 141.4 Ų | 141.4 | 93% | 0.927 | 80% | 0.802 | S | S | * | * | -160.2 | 149.2 | 115.6 | -106.1 | 153.8 | 0 | 0 | 0 | 112.4 | |||||
| 1006 | V | 27 | Very low | 32.2 | Very low | 149 Ų | 149 | 133.8 Ų | 133.8 | 90% | 0.903 | 76% | 0.762 | S | S | * | * | trans | -71.4 | 128.9 | -170.8 | 174.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1007 | G | 25.8 | Very low | 34.4 | Very low | 68 Ų | 68 | 129.8 Ų | 129.8 | 70% | 0.701 | 74% | 0.741 | S | S | * | * | trans | -166.4 | 49.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | S1009 | G1007-S1009 PolarHBondContact O-N 2.82Š| ||
| 1008 | N | 25.2 | Very low | 36.6 | Very low | 166 Ų | 166 | 127.6 Ų | 127.6 | 89% | 0.888 | 73% | 0.727 | S | S | * | * | trans | 37.4 | 78.6 | 153.6 | -144.2 | 21.5 | 0 | 0 | 0 | 117.8 | ||||
| 1009 | S | 25.9 | Very low | 39.1 | Very low | 102 Ų | 102 | 122.2 Ų | 122.2 | 71% | 0.713 | 70% | 0.704 | S | S | * | * | trans | -114.2 | 129.3 | 157.6 | 68.6 | 0 | 0 | 0 | 0 | 110 | G1007 T1011 | G1007-S1009 PolarHBondContact O-N 2.82Å; S1009-T1011 PolarHBondContact O-N 2.88Å; S1009-T1011 VanDerWaalsContact O-N 3.17Å | ||
| 1010 | K | 27.6 | Very low | 41.8 | Very low | 192 Ų | 192 | 112.9 Ų | 112.9 | 84% | 0.835 | 66% | 0.661 | S | S | * | * | trans | -70.2 | 110.5 | 172.7 | -74.6 | 179.4 | 176.4 | 178.7 | 0 | 108 | T1012 | K1010-T1012 PolarHBondContact O-N 2.78Š| ||
| 1011 | T | 28.4 | Very low | 44.6 | Very low | 134 Ų | 134 | 106.9 Ų | 106.9 | 82% | 0.822 | 64% | 0.636 | S | S | * | * | trans | -69 | 81 | 163.5 | 50.6 | 0 | 0 | 0 | 0 | 108.7 | S1009 S1013 | S1009-T1011 PolarHBondContact O-N 2.88Å; S1009-T1011 VanDerWaalsContact O-N 3.17Å; T1011-S1013 PolarHBondContact O-N 2.88Å; T1011-S1013 VanDerWaalsContact O-N 3.11Å | ||
| 1012 | T | 34.7 | Very low | 47.5 | Very low | 115 Ų | 115 | 103.6 Ų | 103.6 | 71% | 0.706 | 61% | 0.612 | S | S | * | * | trans | -63 | 111.1 | 166.2 | 41.2 | 0 | 0 | 0 | 0 | 107.9 | K1010 V1014 | K1010-T1012 PolarHBondContact O-N 2.78Å; T1012-V1014 PolarHBondContact O-N 3.25Å | ||
| 1013 | S | 41.3 | Very low | 50.3 | Low | 113 Ų | 113 | 98.5 Ų | 98.5 | 79% | 0.79 | 58% | 0.575 | S | S | * | * | trans | -51.8 | 121.9 | 166 | 40.9 | 0 | 0 | 0 | 0 | 108.1 | T1011 S1015 | T1011-S1013 PolarHBondContact O-N 2.88Å; T1011-S1013 VanDerWaalsContact O-N 3.11Å; S1013-S1015 PolarHBondContact O-N 3.2Å | ||
| 1014 | V | 53.3 | Low | 53.4 | Low | 106 Ų | 106 | 90.7 Ų | 90.7 | 64% | 0.642 | 54% | 0.538 | S | S | * | . | trans | -69.3 | 101.9 | -180 | 179.8 | 0 | 0 | 0 | 0 | 107.2 | T1012 M1016 F1019 | T1012-V1014 PolarHBondContact O-N 3.25Å; V1014-M1016 PolarHBondContact O-N 3.25Å; V1014-F1019 HydrophobicContact CG1-CB 4.19Å | ||
| 1015 | S | 65.1 | Low | 56.6 | Low | 64 Ų | 64 | 85.7 Ų | 85.7 | 45% | 0.448 | 51% | 0.514 | S | S | . | . | trans | -47.2 | 138.3 | 170.8 | 167.1 | 0 | 0 | 0 | 0 | 109.5 | S1013 E1017 G1018 F1019 | S1013-S1015 PolarHBondContact O-N 3.2Å; S1015-E1017 PolarHBondContact O-N 3.46Å; S1015-E1017 VanDerWaalsContact O-N 3.13Å; S1015-E1017 PolarHBondContact OG-N 2.94Å; S1015-G1018 WeakPolarHBondContact O-CA 3.38Å; S1015-G1018 PolarHBondContact O-N 3.28Å; S1015-F1019 PolarHBondContact O-N 2.71Å | ||
| 1016 | M | 67.4 | Low | 59.4 | Low | 10 Ų | 10 | 82.8 Ų | 82.8 | 5% | 0.049 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -58.9 | -29.1 | -179.5 | -150.9 | 174.5 | -35 | 0 | 0 | 111.6 | L909 I912 V1014 F1019 V1020 | L909-M1016 VanDerWaalsContact O-SD 3.42Å; I912-M1016 HydrophobicContact CB-CE 3.75Å; I912-M1016 HydrophobicContact CB-SD 4.11Å; I912-M1016 HydrophobicContact CD1-SD 4.49Å; I912-M1016 HydrophobicContact CG2-CE 3.76Å; I912-M1016 VanDerWaalsContact O-CE 3.27Å; I912-M1016 WeakPolarHBondContact O-CE 3.38Å; V1014-M1016 PolarHBondContact O-N 3.25Å; M1016-F1019 PolarHBondContact O-N 3.24Å; M1016-V1020 WeakPolarHBondContact O-CG2 3.19Å; M1016-V1020 PolarHBondContact O-N 2.88Å |
| 1017 | E | 71.1 | Confident | 62.4 | Low | 109 Ų | 109 | 76.3 Ų | 76.3 | 51% | 0.509 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.8 | -40.4 | 173 | -172.1 | 160.6 | -135.2 | 0 | 0 | 112.7 | K910 S1015 F1019 V1020 Q1021 | K910-E1017 WeakPolarHBondContact CE-OE1 3.27Å; K910-E1017 IonicContact NZ-OE1 3.93Å; K910-E1017 PolarHBondContact NZ-OE1 2.88Å; S1015-E1017 PolarHBondContact O-N 3.46Å; S1015-E1017 VanDerWaalsContact O-N 3.13Å; S1015-E1017 PolarHBondContact OG-N 2.94Å; E1017-F1019 VanDerWaalsContact C-N 3.34Å; E1017-V1020 PolarHBondContact O-N 2.95Å; E1017-Q1021 VanDerWaalsContact O-CB 3.31Å; E1017-Q1021 WeakPolarHBondContact O-CB 3.38Å; E1017-Q1021 PolarHBondContact O-N 2.89Å |
| 1018 | G | 73.2 | Confident | 65.5 | Low | 43 Ų | 43 | 73 Ų | 73 | 44% | 0.443 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -66.3 | -35.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S1015 G1022 | S1015-G1018 WeakPolarHBondContact O-CA 3.38Å; S1015-G1018 PolarHBondContact O-N 3.28Å; G1018-G1022 PolarHBondContact O-N 3.03Å |
| 1019 | F | 77.6 | Confident | 68.7 | Low | 83 Ų | 83 | 66.2 Ų | 66.2 | 36% | 0.364 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.1 | -49.1 | 173.9 | 179 | -104.5 | 0 | 0 | 0 | 112.1 | T887 V1014 S1015 M1016 E1017 Q1021 G1022 I1023 | T887-F1019 HydrophobicContact CG2-CZ 4.12Å; T887-F1019 WeakPolarHBondContact OG1-CE1 3.39Å; T887-F1019 VanDerWaalsContact OG1-CZ 3.27Å; T887-F1019 WeakPolarHBondContact OG1-CZ 3.26Å; V1014-F1019 HydrophobicContact CG1-CB 4.19Å; S1015-F1019 PolarHBondContact O-N 2.71Å; M1016-F1019 PolarHBondContact O-N 3.24Å; E1017-F1019 VanDerWaalsContact C-N 3.34Å; F1019-Q1021 VanDerWaalsContact C-N 3.33Å; F1019-Q1021 PolarHBondContact O-N 2.96Å; F1019-G1022 PolarHBondContact O-N 2.83Å; F1019-I1023 HydrophobicContact CD1-CD1 4.17Å; F1019-I1023 HydrophobicContact CE1-CD1 3.67Å; F1019-I1023 HydrophobicContact CZ-CD1 4.01Å; F1019-I1023 PolarHBondContact O-N 3.39Å |
| 1020 | V | 81.7 | Confident | 71.8 | Confident | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.006 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.2 | -43.8 | 175.5 | 171 | 0 | 0 | 0 | 0 | 110.9 | I906 L909 M1016 E1017 G1022 I1023 L1024 | I906-V1020 HydrophobicContact CG1-CG1 4.08Å; I906-V1020 HydrophobicContact CG2-CG1 4.12Å; L909-V1020 HydrophobicContact CB-CG2 4.25Å; L909-V1020 HydrophobicContact CD1-CG2 4.2Å; M1016-V1020 WeakPolarHBondContact O-CG2 3.19Å; M1016-V1020 PolarHBondContact O-N 2.88Å; E1017-V1020 PolarHBondContact O-N 2.95Å; V1020-G1022 VanDerWaalsContact C-N 3.25Å; V1020-G1022 PolarHBondContact O-N 2.8Å; V1020-I1023 PolarHBondContact O-N 2.89Å; V1020-I1023 VanDerWaalsContact O-N 3.13Å; V1020-L1024 HydrophobicContact CG1-CD1 3.88Å; V1020-L1024 HydrophobicContact CG1-CG 4.3Å; V1020-L1024 WeakPolarHBondContact O-CG 3.46Å; V1020-L1024 PolarHBondContact O-N 3.42Å |
| 1021 | Q | 84.2 | Confident | 74.7 | Confident | 78 Ų | 78 | 56.6 Ų | 56.6 | 36% | 0.364 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.7 | -34.4 | 177.7 | -164.3 | 67.5 | 9.2 | 0 | 0 | 112.4 | E1017 F1019 L1024 S1025 | E1017-Q1021 VanDerWaalsContact O-CB 3.31Å; E1017-Q1021 WeakPolarHBondContact O-CB 3.38Å; E1017-Q1021 PolarHBondContact O-N 2.89Å; F1019-Q1021 VanDerWaalsContact C-N 3.33Å; F1019-Q1021 PolarHBondContact O-N 2.96Å; Q1021-L1024 PolarHBondContact O-N 3.25Å; Q1021-S1025 VanDerWaalsContact O-CB 3.28Å; Q1021-S1025 WeakPolarHBondContact O-CB 3.35Å; Q1021-S1025 PolarHBondContact O-N 3.31Å |
| 1022 | G | 85.1 | Confident | 77.7 | Confident | 32 Ų | 32 | 50.2 Ų | 50.2 | 33% | 0.33 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.2 | -41.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | G1018 F1019 V1020 N1026 | G1018-G1022 PolarHBondContact O-N 3.03Å; F1019-G1022 PolarHBondContact O-N 2.83Å; V1020-G1022 VanDerWaalsContact C-N 3.25Å; V1020-G1022 PolarHBondContact O-N 2.8Å; G1022-N1026 PolarHBondContact O-N 3.43Å; G1022-N1026 VanDerWaalsContact O-N 3.09Å; G1022-N1026 PolarHBondContact O-ND2 3.32Å |
| 1023 | I | 85.3 | Confident | 80.3 | Confident | 15 Ų | 15 | 47.8 Ų | 47.8 | 8% | 0.077 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.8 | -47 | 175.1 | -60.3 | 168 | 0 | 0 | 0 | 110.2 | T887 L890 Q891 L894 F1019 V1020 S1025 N1026 H1027 | T887-I1023 HydrophobicContact CG2-CD1 3.93Å; L890-I1023 HydrophobicContact CD2-CD1 4.18Å; L890-I1023 HydrophobicContact CD2-CG2 4.16Å; L890-I1023 HydrophobicContact CG-CG2 4.42Å; Q891-I1023 HydrophobicContact CG-CG2 4.24Å; L894-I1023 HydrophobicContact CD1-CG2 4.21Å; F1019-I1023 HydrophobicContact CD1-CD1 4.17Å; F1019-I1023 HydrophobicContact CE1-CD1 3.67Å; F1019-I1023 HydrophobicContact CZ-CD1 4.01Å; F1019-I1023 PolarHBondContact O-N 3.39Å; V1020-I1023 PolarHBondContact O-N 2.89Å; V1020-I1023 VanDerWaalsContact O-N 3.13Å; I1023-S1025 PolarHBondContact O-N 3.49Å; I1023-N1026 PolarHBondContact O-N 3.05Å; I1023-H1027 PolarHBondContact O-N 3.18Å |
| 1024 | L | 89.1 | Confident | 82.6 | Confident | 6 Ų | 6 | 46.7 Ų | 46.7 | 3% | 0.031 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62 | -42.9 | 179.7 | -66.7 | 173.8 | 0 | 0 | 0 | 112.2 | L894 I906 V1020 Q1021 H1027 A1028 F1043 V1047 F1049 | L894-L1024 HydrophobicContact CD1-CD2 4.21Å; L894-L1024 HydrophobicContact CD2-CD2 4.49Å; I906-L1024 HydrophobicContact CD1-CD1 4.28Å; I906-L1024 HydrophobicContact CD1-CD2 3.8Å; V1020-L1024 HydrophobicContact CG1-CD1 3.88Å; V1020-L1024 HydrophobicContact CG1-CG 4.3Å; V1020-L1024 WeakPolarHBondContact O-CG 3.46Å; V1020-L1024 PolarHBondContact O-N 3.42Å; Q1021-L1024 PolarHBondContact O-N 3.25Å; L1024-H1027 PolarHBondContact O-N 3.01Å; L1024-A1028 WeakPolarHBondContact O-CB 3.14Å; L1024-A1028 PolarHBondContact O-N 3.47Å; L1024-F1043 HydrophobicContact CB-CZ 4.08Å; L1024-F1043 HydrophobicContact CD2-CE2 3.62Å; L1024-F1043 HydrophobicContact CD2-CZ 3.69Å; L1024-F1043 HydrophobicContact CG-CZ 4.48Å; L1024-V1047 HydrophobicContact CD2-CG1 4.03Å; L1024-F1049 HydrophobicContact CB-CD2 3.78Å; L1024-F1049 HydrophobicContact CB-CE2 3.82Å; L1024-F1049 HydrophobicContact CD1-CD2 4.43Å |
| 1025 | S | 89.8 | Confident | 84.4 | Confident | 36 Ų | 36 | 42.9 Ų | 42.9 | 25% | 0.252 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.5 | -45.1 | 175.4 | -177.4 | 0 | 0 | 0 | 0 | 112.2 | Q1021 I1023 H1027 A1028 A1029 W1054 | Q1021-S1025 VanDerWaalsContact O-CB 3.28Å; Q1021-S1025 WeakPolarHBondContact O-CB 3.35Å; Q1021-S1025 PolarHBondContact O-N 3.31Å; I1023-S1025 PolarHBondContact O-N 3.49Å; S1025-H1027 PolarHBondContact O-N 3.34Å; S1025-A1028 PolarHBondContact O-N 3.49Å; S1025-A1029 WeakPolarHBondContact O-CB 3.35Å; S1025-A1029 PolarHBondContact O-N 2.92Å; S1025-W1054 PolarHBondContact OG-NE1 2.72Å |
| 1026 | N | 89.4 | Confident | 85.6 | Confident | 116 Ų | 116 | 43.3 Ų | 43.3 | 62% | 0.62 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -64.9 | -38.1 | 176.9 | -76.1 | -23.8 | 0 | 0 | 0 | 112.5 | G1022 I1023 A1029 Q1030 | G1022-N1026 PolarHBondContact O-N 3.43Å; G1022-N1026 VanDerWaalsContact O-N 3.09Å; G1022-N1026 PolarHBondContact O-ND2 3.32Å; I1023-N1026 PolarHBondContact O-N 3.05Å; N1026-A1029 WeakPolarHBondContact O-CB 3.38Å; N1026-A1029 PolarHBondContact O-N 3.26Å; N1026-Q1030 PolarHBondContact O-N 3.28Å |
| 1027 | H | 90.3 | Very high | 86.6 | Confident | 13 Ų | 13 | 42.9 Ų | 42.9 | 6% | 0.06 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.9 | -41.9 | 176.4 | -172.2 | 66.7 | 0 | 0 | 0 | 112 | L894 W899 I1023 L1024 S1025 A1029 Q1030 L1031 | L894-H1027 HydrophobicContact CD1-CB 4.15Å; L894-H1027 PolarHBondContact O-CE1 3.02Å; L894-H1027 PolarHBondContact O-NE2 3.49Å; W899-H1027 AromaticContact CH2-NE2 3.92Å; W899-H1027 AromaticContact CZ3-NE2 3.92Å; I1023-H1027 PolarHBondContact O-N 3.18Å; L1024-H1027 PolarHBondContact O-N 3.01Å; S1025-H1027 PolarHBondContact O-N 3.34Å; H1027-A1029 VanDerWaalsContact C-N 3.3Å; H1027-A1029 PolarHBondContact O-N 3.47Å; H1027-Q1030 WeakPolarHBondContact O-CB 3.43Å; H1027-Q1030 PolarHBondContact O-N 2.67Å; H1027-Q1030 VanDerWaalsContact O-N 3.11Å; H1027-L1031 PolarHBondContact O-N 3.27Å |
| 1028 | A | 90.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.7 | -43.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1024 S1025 Q1030 L1031 I1032 L1040 F1043 F1049 W1054 | L1024-A1028 WeakPolarHBondContact O-CB 3.14Å; L1024-A1028 PolarHBondContact O-N 3.47Å; S1025-A1028 PolarHBondContact O-N 3.49Å; A1028-Q1030 VanDerWaalsContact C-N 3.33Å; A1028-Q1030 PolarHBondContact O-N 3.22Å; A1028-L1031 PolarHBondContact O-N 3.33Å; A1028-I1032 WeakPolarHBondContact O-CG2 3.45Å; A1028-I1032 PolarHBondContact O-N 3.03Å; A1028-L1040 HydrophobicContact CB-CD1 3.89Å; A1028-F1043 HydrophobicContact CB-CE1 3.99Å; A1028-F1049 HydrophobicContact CB-CE1 3.79Å; A1028-F1049 HydrophobicContact CB-CZ 3.87Å; A1028-W1054 VanDerWaalsContact C-CH2 3.45Å; A1028-W1054 HydrophobicContact CB-CD2 4.19Å; A1028-W1054 HydrophobicContact CB-CE3 4.24Å; A1028-W1054 HydrophobicContact CB-CH2 3.67Å; A1028-W1054 HydrophobicContact CB-CZ2 3.6Å; A1028-W1054 HydrophobicContact CB-CZ3 4Å |
| 1029 | A | 91.2 | Very high | 88 | Confident | 23 Ų | 23 | 39.6 Ų | 39.6 | 19% | 0.19 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.7 | -39.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S1025 N1026 H1027 S1033 W1054 A1062 | S1025-A1029 WeakPolarHBondContact O-CB 3.35Å; S1025-A1029 PolarHBondContact O-N 2.92Å; N1026-A1029 WeakPolarHBondContact O-CB 3.38Å; N1026-A1029 PolarHBondContact O-N 3.26Å; H1027-A1029 VanDerWaalsContact C-N 3.3Å; H1027-A1029 PolarHBondContact O-N 3.47Å; A1029-S1033 VanDerWaalsContact O-CB 3.23Å; A1029-S1033 WeakPolarHBondContact O-CB 3.47Å; A1029-S1033 PolarHBondContact O-N 2.67Å; A1029-S1033 PolarHBondContact O-OG 2.67Å; A1029-W1054 HydrophobicContact CB-CZ2 4Å; A1029-A1062 HydrophobicContact CB-CB 3.8Å |
| 1030 | Q | 90.9 | Very high | 88.5 | Confident | 88 Ų | 88 | 35.8 Ų | 35.8 | 41% | 0.411 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -64.1 | -47.5 | 174.3 | -107.9 | -178.7 | -14.9 | 0 | 0 | 112.5 | N1026 H1027 A1028 S1033 Q1034 | N1026-Q1030 PolarHBondContact O-N 3.28Å; H1027-Q1030 WeakPolarHBondContact O-CB 3.43Å; H1027-Q1030 PolarHBondContact O-N 2.67Å; H1027-Q1030 VanDerWaalsContact O-N 3.11Å; A1028-Q1030 VanDerWaalsContact C-N 3.33Å; A1028-Q1030 PolarHBondContact O-N 3.22Å; Q1030-S1033 PolarHBondContact O-OG 2.7Å; Q1030-Q1034 WeakPolarHBondContact O-CB 3.27Å; Q1030-Q1034 VanDerWaalsContact O-CG 3.27Å; Q1030-Q1034 WeakPolarHBondContact O-CG 3.41Å; Q1030-Q1034 PolarHBondContact O-N 3.34Å |
| 1031 | L | 90 | Very high | 88.7 | Confident | 4 Ų | 4 | 36.1 Ų | 36.1 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.3 | -46.4 | -179 | -69.1 | 176.2 | 0 | 0 | 0 | 111.7 | W899 H1027 A1028 Q1034 Y1035 R1036 D1039 L1040 F1043 | W899-L1031 HydrophobicContact CH2-CD1 4.41Å; H1027-L1031 PolarHBondContact O-N 3.27Å; A1028-L1031 PolarHBondContact O-N 3.33Å; L1031-Q1034 PolarHBondContact O-N 3.42Å; L1031-Y1035 PolarHBondContact O-N 3.39Å; L1031-R1036 HydrophobicContact CD2-CB 4.34Å; L1031-R1036 PolarHBondContact O-N 2.87Å; L1031-D1039 HydrophobicContact CD1-CB 4.46Å; L1031-D1039 HydrophobicContact CD2-CB 4.07Å; L1031-L1040 HydrophobicContact CB-CB 4.18Å; L1031-L1040 HydrophobicContact CB-CD1 4.2Å; L1031-L1040 HydrophobicContact CD1-CB 4.41Å; L1031-L1040 HydrophobicContact CD1-CD1 4.37Å; L1031-F1043 HydrophobicContact CD1-CB 4.09Å; L1031-F1043 HydrophobicContact CD1-CD1 4.48Å; L1031-F1043 HydrophobicContact CD1-CG 4.31Å |
| 1032 | I | 90.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -70.6 | -39 | -178.8 | -159.1 | 161.9 | 0 | 0 | 0 | 112.4 | A1028 Q1034 Y1035 L1040 W1054 L1055 A1062 A1063 W1155 | A1028-I1032 WeakPolarHBondContact O-CG2 3.45Å; A1028-I1032 PolarHBondContact O-N 3.03Å; I1032-Q1034 VanDerWaalsContact C-N 3.3Å; I1032-Q1034 PolarHBondContact O-N 3.11Å; I1032-Y1035 WeakPolarHBondContact O-CA 3.45Å; I1032-Y1035 PolarHBondContact O-N 3.05Å; I1032-L1040 HydrophobicContact CB-CD2 4.01Å; I1032-L1040 HydrophobicContact CD1-CD2 3.87Å; I1032-L1040 HydrophobicContact CG1-CD2 4.16Å; I1032-W1054 HydrophobicContact CG2-CH2 3.86Å; I1032-W1054 HydrophobicContact CG2-CZ3 4.44Å; I1032-L1055 HydrophobicContact CD1-CD2 3.7Å; I1032-A1062 HydrophobicContact CG2-CB 4.02Å; I1032-A1062 WeakPolarHBondContact CG2-O 3.29Å; I1032-A1063 HydrophobicContact CD1-CB 3.66Å; I1032-W1155 HydrophobicContact CG1-CZ2 3.84Å |
| 1033 | S | 88.7 | Confident | 88.7 | Confident | 63 Ų | 63 | 32 Ų | 32 | 44% | 0.441 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -70.9 | -24.3 | 177.7 | 60.4 | 0 | 0 | 0 | 0 | 113.5 | A1029 Q1030 Y1035 | A1029-S1033 VanDerWaalsContact O-CB 3.23Å; A1029-S1033 WeakPolarHBondContact O-CB 3.47Å; A1029-S1033 PolarHBondContact O-N 2.67Å; A1029-S1033 PolarHBondContact O-OG 2.67Å; Q1030-S1033 PolarHBondContact O-OG 2.7Å; S1033-Y1035 VanDerWaalsContact C-N 3.28Å |
| 1034 | Q | 89.7 | Confident | 88.7 | Confident | 91 Ų | 91 | 32 Ų | 32 | 43% | 0.425 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 2.5 | 169 | -67.8 | -178 | 16.8 | 0 | 0 | 113.6 | Q1030 L1031 I1032 R1036 K1074 | Q1030-Q1034 WeakPolarHBondContact O-CB 3.27Å; Q1030-Q1034 VanDerWaalsContact O-CG 3.27Å; Q1030-Q1034 WeakPolarHBondContact O-CG 3.41Å; Q1030-Q1034 PolarHBondContact O-N 3.34Å; L1031-Q1034 PolarHBondContact O-N 3.42Å; I1032-Q1034 VanDerWaalsContact C-N 3.3Å; I1032-Q1034 PolarHBondContact O-N 3.11Å; Q1034-R1036 VanDerWaalsContact C-N 3.32Å; Q1034-R1036 HydrophobicContact CB-CG 4.39Å; Q1034-R1036 PolarHBondContact O-N 2.71Å; Q1034-K1074 PolarHBondContact O-NZ 3.45Å |
| 1035 | Y | 92.2 | Very high | 88.3 | Confident | 25 Ų | 25 | 33 Ų | 33 | 10% | 0.098 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61 | 31.7 | -178.2 | -39.4 | -49.6 | 0 | 0 | 0 | 114.5 | L1031 I1032 S1033 L1037 V1065 T1066 R1067 I1070 A1071 W1155 | L1031-Y1035 PolarHBondContact O-N 3.39Å; I1032-Y1035 WeakPolarHBondContact O-CA 3.45Å; I1032-Y1035 PolarHBondContact O-N 3.05Å; S1033-Y1035 VanDerWaalsContact C-N 3.28Å; Y1035-L1037 PolarHBondContact O-N 3.43Å; Y1035-V1065 HydrophobicContact CE1-CG1 4.24Å; Y1035-T1066 PolarHBondContact OH-OG1 3.45Å; Y1035-R1067 HydrophobicContact CE2-CB 4.34Å; Y1035-R1067 PolarHBondContact OH-N 3.42Å; Y1035-I1070 HydrophobicContact CD2-CB 4.42Å; Y1035-I1070 HydrophobicContact CD2-CG2 4.13Å; Y1035-I1070 HydrophobicContact CE2-CB 4.25Å; Y1035-I1070 HydrophobicContact CE2-CG2 4.26Å; Y1035-A1071 HydrophobicContact CD1-CB 3.86Å; Y1035-A1071 HydrophobicContact CD2-CB 3.98Å; Y1035-A1071 HydrophobicContact CE1-CB 4.2Å; Y1035-A1071 HydrophobicContact CE2-CB 4.32Å; Y1035-A1071 HydrophobicContact CG-CB 3.74Å; Y1035-W1155 AromaticContact CD1-CH2 3.7Å; Y1035-W1155 HydrophobicContact CD1-CH2 3.7Å; Y1035-W1155 AromaticContact CD1-CZ2 3.89Å; Y1035-W1155 HydrophobicContact CD1-CZ2 3.89Å; Y1035-W1155 HydrophobicContact CG-CH2 4.21Å |
| 1036 | R | 89.5 | Confident | 87.8 | Confident | 73 Ų | 73 | 32.8 Ų | 32.8 | 28% | 0.275 | 17% | 0.167 | S | C | . | . | trans | -93.4 | 70.1 | 176.2 | -67.5 | -174.6 | 69.1 | -174.3 | -2.8 | 110.5 | L1031 Q1034 Y1038 D1039 L1040 | L1031-R1036 HydrophobicContact CD2-CB 4.34Å; L1031-R1036 PolarHBondContact O-N 2.87Å; Q1034-R1036 VanDerWaalsContact C-N 3.32Å; Q1034-R1036 HydrophobicContact CB-CG 4.39Å; Q1034-R1036 PolarHBondContact O-N 2.71Å; R1036-Y1038 PolarHBondContact O-N 3.11Å; R1036-D1039 HydrophobicContact CB-CB 4.25Å; R1036-D1039 IonicContact CZ-OD1 2.69Å; R1036-D1039 IonicContact CZ-OD2 2.71Å; R1036-D1039 IonicContact NE-OD2 2.69Å; R1036-D1039 PolarHBondContact NE-OD2 2.64Å; R1036-D1039 IonicContact NH2-OD1 3.03Å; R1036-D1039 PolarHBondContact NH2-OD1 3.15Å; R1036-D1039 IonicContact NH2-OD2 3.51Å; R1036-D1039 PolarHBondContact NH2-OD2 3.29Å; R1036-D1039 PolarHBondContact O-N 2.96Å; R1036-L1040 PolarHBondContact O-N 2.84Å; R1036-L1040 VanDerWaalsContact O-N 3.14Å | ||
| 1037 | L | 89.3 | Confident | 87.4 | Confident | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -70.6 | -32.2 | -170.9 | -154.3 | 76.7 | 0 | 0 | 0 | 112.9 | Y1035 L1040 A1041 L1075 L1143 M1147 W1155 I1159 | Y1035-L1037 PolarHBondContact O-N 3.43Å; L1037-L1040 HydrophobicContact CD1-CD2 4.3Å; L1037-A1041 PolarHBondContact O-N 2.86Å; L1037-A1041 VanDerWaalsContact O-N 3.17Å; L1037-L1075 HydrophobicContact CB-CD1 4.38Å; L1037-L1075 HydrophobicContact CD2-CD1 3.82Å; L1037-L1143 HydrophobicContact CD2-CD1 4.1Å; L1037-L1143 HydrophobicContact CG-CD1 4.33Å; L1037-M1147 HydrophobicContact CD1-CE 3.81Å; L1037-M1147 HydrophobicContact CD2-CE 4.46Å; L1037-W1155 HydrophobicContact CD1-CD2 4.13Å; L1037-W1155 HydrophobicContact CD1-CE3 4.1Å; L1037-W1155 HydrophobicContact CD1-CH2 4.43Å; L1037-W1155 HydrophobicContact CD1-CZ2 4.45Å; L1037-W1155 HydrophobicContact CD1-CZ3 4.27Å; L1037-W1155 HydrophobicContact CD2-CE3 4.24Å; L1037-I1159 HydrophobicContact CD2-CD1 3.92Å; L1037-I1159 HydrophobicContact CD2-CG1 4.25Å |
| 1038 | Y | 87.3 | Confident | 87 | Confident | 62 Ų | 62 | 32.9 Ų | 32.9 | 24% | 0.243 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.3 | -49 | 174.4 | 178.4 | -94.2 | 0 | 0 | 0 | 111.8 | R1036 L1040 A1041 M1042 F1079 L1139 | R1036-Y1038 PolarHBondContact O-N 3.11Å; Y1038-L1040 VanDerWaalsContact C-N 3.32Å; Y1038-L1040 PolarHBondContact O-N 2.92Å; Y1038-A1041 WeakPolarHBondContact O-CB 3.47Å; Y1038-A1041 PolarHBondContact O-N 2.99Å; Y1038-A1041 VanDerWaalsContact O-N 3.13Å; Y1038-M1042 HydrophobicContact CD1-CG 4.14Å; Y1038-M1042 HydrophobicContact CE1-CG 3.67Å; Y1038-M1042 HydrophobicContact CE2-CG 4.4Å; Y1038-M1042 WeakPolarHBondContact O-CG 3.07Å; Y1038-M1042 PolarHBondContact O-N 2.98Å; Y1038-F1079 HydrophobicContact CD2-CE1 4.19Å; Y1038-F1079 HydrophobicContact CD2-CZ 4.01Å; Y1038-L1139 HydrophobicContact CD2-CD2 3.81Å; Y1038-L1139 HydrophobicContact CE2-CD2 3.81Å |
| 1039 | D | 85.5 | Confident | 86.8 | Confident | 22 Ų | 22 | 33.4 Ų | 33.4 | 12% | 0.118 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.1 | -36.1 | 179.8 | -60 | -73.9 | 0 | 0 | 0 | 112.3 | W899 L1031 R1036 A1041 M1042 F1043 | W899-D1039 HydrophobicContact CZ2-CB 4.44Å; L1031-D1039 HydrophobicContact CD1-CB 4.46Å; L1031-D1039 HydrophobicContact CD2-CB 4.07Å; R1036-D1039 HydrophobicContact CB-CB 4.25Å; R1036-D1039 IonicContact CZ-OD1 2.69Å; R1036-D1039 IonicContact CZ-OD2 2.71Å; R1036-D1039 IonicContact NE-OD2 2.69Å; R1036-D1039 PolarHBondContact NE-OD2 2.64Å; R1036-D1039 IonicContact NH2-OD1 3.03Å; R1036-D1039 PolarHBondContact NH2-OD1 3.15Å; R1036-D1039 IonicContact NH2-OD2 3.51Å; R1036-D1039 PolarHBondContact NH2-OD2 3.29Å; R1036-D1039 PolarHBondContact O-N 2.96Å; D1039-A1041 VanDerWaalsContact C-N 3.31Å; D1039-A1041 PolarHBondContact O-N 3.03Å; D1039-M1042 PolarHBondContact O-N 3.04Å; D1039-F1043 WeakPolarHBondContact O-CB 3.16Å; D1039-F1043 PolarHBondContact O-N 3.38Å |
| 1040 | L | 89.3 | Confident | 86.5 | Confident | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.9 | -40.2 | 173 | -177.5 | 70.5 | 0 | 0 | 0 | 111.8 | A1028 L1031 I1032 R1036 L1037 Y1038 F1043 A1044 L1051 | A1028-L1040 HydrophobicContact CB-CD1 3.89Å; L1031-L1040 HydrophobicContact CB-CB 4.18Å; L1031-L1040 HydrophobicContact CB-CD1 4.2Å; L1031-L1040 HydrophobicContact CD1-CB 4.41Å; L1031-L1040 HydrophobicContact CD1-CD1 4.37Å; I1032-L1040 HydrophobicContact CB-CD2 4.01Å; I1032-L1040 HydrophobicContact CD1-CD2 3.87Å; I1032-L1040 HydrophobicContact CG1-CD2 4.16Å; R1036-L1040 PolarHBondContact O-N 2.84Å; R1036-L1040 VanDerWaalsContact O-N 3.14Å; L1037-L1040 HydrophobicContact CD1-CD2 4.3Å; Y1038-L1040 VanDerWaalsContact C-N 3.32Å; Y1038-L1040 PolarHBondContact O-N 2.92Å; L1040-F1043 HydrophobicContact CD1-CD1 4.37Å; L1040-A1044 VanDerWaalsContact O-CB 3.3Å; L1040-A1044 WeakPolarHBondContact O-CB 3.28Å; L1040-A1044 PolarHBondContact O-N 2.83Å; L1040-L1051 HydrophobicContact CD1-CD1 4.14Å; L1040-L1051 HydrophobicContact CD2-CD1 4.04Å; L1040-L1051 HydrophobicContact CG-CD1 3.98Å |
| 1041 | A | 85 | Confident | 86.2 | Confident | 9 Ų | 9 | 36.8 Ų | 36.8 | 7% | 0.074 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.2 | -45.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1037 Y1038 D1039 A1044 L1045 L1139 L1143 | L1037-A1041 PolarHBondContact O-N 2.86Å; L1037-A1041 VanDerWaalsContact O-N 3.17Å; Y1038-A1041 WeakPolarHBondContact O-CB 3.47Å; Y1038-A1041 PolarHBondContact O-N 2.99Å; Y1038-A1041 VanDerWaalsContact O-N 3.13Å; D1039-A1041 VanDerWaalsContact C-N 3.31Å; D1039-A1041 PolarHBondContact O-N 3.03Å; A1041-A1044 PolarHBondContact O-N 3.45Å; A1041-L1045 WeakPolarHBondContact O-CB 3.45Å; A1041-L1045 PolarHBondContact O-N 2.87Å; A1041-L1139 HydrophobicContact CB-CD1 4.4Å; A1041-L1139 HydrophobicContact CB-CD2 4.47Å; A1041-L1143 HydrophobicContact CB-CD1 4.1Å; A1041-L1143 HydrophobicContact CB-CD2 4.08Å; A1041-L1143 HydrophobicContact CB-CG 4.48Å |
| 1042 | M | 82.9 | Confident | 85.9 | Confident | 24 Ų | 24 | 38.2 Ų | 38.2 | 12% | 0.118 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.1 | -44.3 | 177.4 | -66.6 | -56.5 | -63.1 | 0 | 0 | 112.1 | Y1038 D1039 A1044 L1045 Q1046 | Y1038-M1042 HydrophobicContact CD1-CG 4.14Å; Y1038-M1042 HydrophobicContact CE1-CG 3.67Å; Y1038-M1042 HydrophobicContact CE2-CG 4.4Å; Y1038-M1042 WeakPolarHBondContact O-CG 3.07Å; Y1038-M1042 PolarHBondContact O-N 2.98Å; D1039-M1042 PolarHBondContact O-N 3.04Å; M1042-A1044 PolarHBondContact O-N 3Å; M1042-L1045 PolarHBondContact O-N 2.82Å; M1042-Q1046 WeakPolarHBondContact O-CB 3.27Å; M1042-Q1046 WeakPolarHBondContact O-CG 3.14Å; M1042-Q1046 PolarHBondContact O-N 2.96Å |
| 1043 | F | 86.9 | Confident | 85.6 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -54.9 | -49.3 | 171.5 | 164.7 | -106.1 | 0 | 0 | 0 | 111.5 | L894 W899 L1024 A1028 L1031 D1039 L1040 L1045 V1047 F1049 | L894-F1043 HydrophobicContact CD2-CD2 3.89Å; L894-F1043 HydrophobicContact CD2-CE2 3.65Å; W899-F1043 HydrophobicContact CE3-CB 4.17Å; W899-F1043 HydrophobicContact CE3-CD2 4.01Å; W899-F1043 HydrophobicContact CH2-CB 3.85Å; W899-F1043 HydrophobicContact CH2-CD2 4.47Å; W899-F1043 HydrophobicContact CZ2-CB 4.24Å; W899-F1043 HydrophobicContact CZ3-CB 3.82Å; W899-F1043 AromaticContact CZ3-CD2 3.69Å; W899-F1043 HydrophobicContact CZ3-CD2 3.69Å; W899-F1043 HydrophobicContact CZ3-CG 4.18Å; L1024-F1043 HydrophobicContact CB-CZ 4.08Å; L1024-F1043 HydrophobicContact CD2-CE2 3.62Å; L1024-F1043 HydrophobicContact CD2-CZ 3.69Å; L1024-F1043 HydrophobicContact CG-CZ 4.48Å; A1028-F1043 HydrophobicContact CB-CE1 3.99Å; L1031-F1043 HydrophobicContact CD1-CB 4.09Å; L1031-F1043 HydrophobicContact CD1-CD1 4.48Å; L1031-F1043 HydrophobicContact CD1-CG 4.31Å; D1039-F1043 WeakPolarHBondContact O-CB 3.16Å; D1039-F1043 PolarHBondContact O-N 3.38Å; L1040-F1043 HydrophobicContact CD1-CD1 4.37Å; F1043-L1045 PolarHBondContact O-N 3.46Å; F1043-V1047 HydrophobicContact CD2-CB 4.27Å; F1043-V1047 HydrophobicContact CD2-CG2 3.86Å; F1043-V1047 HydrophobicContact CE2-CB 4.24Å; F1043-V1047 HydrophobicContact CE2-CG1 4.39Å; F1043-V1047 HydrophobicContact CE2-CG2 4.19Å; F1043-V1047 VanDerWaalsContact O-CB 3.27Å; F1043-V1047 WeakPolarHBondContact O-CB 3.46Å; F1043-V1047 WeakPolarHBondContact O-CG2 3.19Å; F1043-V1047 PolarHBondContact O-N 2.91Å; F1043-F1049 HydrophobicContact CD1-CB 4.47Å; F1043-F1049 HydrophobicContact CD1-CD1 4.39Å; F1043-F1049 HydrophobicContact CE1-CB 3.84Å; F1043-F1049 AromaticContact CE1-CD1 3.66Å; F1043-F1049 HydrophobicContact CE1-CD1 3.66Å; F1043-F1049 HydrophobicContact CE1-CD2 4.13Å; F1043-F1049 HydrophobicContact CE1-CE1 4.17Å; F1043-F1049 AromaticContact CE1-CG 3.62Å; F1043-F1049 HydrophobicContact CE1-CG 3.62Å; F1043-F1049 HydrophobicContact CZ-CB 4.1Å; F1043-F1049 HydrophobicContact CZ-CD1 4.48Å; F1043-F1049 HydrophobicContact CZ-CD2 4.16Å; F1043-F1049 HydrophobicContact CZ-CG 4.01Å |
| 1044 | A | 85.6 | Confident | 85.6 | Confident | 13 Ų | 13 | 40.2 Ų | 40.2 | 11% | 0.107 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.7 | -43.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1040 A1041 M1042 H1048 F1049 L1051 | L1040-A1044 VanDerWaalsContact O-CB 3.3Å; L1040-A1044 WeakPolarHBondContact O-CB 3.28Å; L1040-A1044 PolarHBondContact O-N 2.83Å; A1041-A1044 PolarHBondContact O-N 3.45Å; M1042-A1044 PolarHBondContact O-N 3Å; A1044-H1048 WeakPolarHBondContact O-CA 3.38Å; A1044-H1048 PolarHBondContact O-N 2.89Å; A1044-F1049 PolarHBondContact O-N 2.95Å; A1044-F1049 VanDerWaalsContact O-N 3.09Å; A1044-L1051 HydrophobicContact CB-CB 3.83Å; A1044-L1051 HydrophobicContact CB-CD2 3.87Å; A1044-L1051 HydrophobicContact CB-CG 4.28Å |
| 1045 | L | 79.2 | Confident | 85.5 | Confident | 27 Ų | 27 | 35.9 Ų | 35.9 | 14% | 0.141 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68.1 | -53.8 | -179.1 | -146.7 | 85.9 | 0 | 0 | 0 | 111.8 | A1041 M1042 F1043 H1048 L1120 L1122 L1125 | A1041-L1045 WeakPolarHBondContact O-CB 3.45Å; A1041-L1045 PolarHBondContact O-N 2.87Å; M1042-L1045 PolarHBondContact O-N 2.82Å; F1043-L1045 PolarHBondContact O-N 3.46Å; L1045-H1048 PolarHBondContact O-ND1 2.86Å; L1045-L1120 HydrophobicContact CD1-CD1 4.47Å; L1045-L1122 HydrophobicContact CD2-CD2 4.41Å; L1045-L1122 HydrophobicContact CD2-CG 4.33Å; L1045-L1125 HydrophobicContact CD2-CD1 3.98Å |
| 1046 | Q | 79.7 | Confident | 85.1 | Confident | 32 Ų | 32 | 38.3 Ų | 38.3 | 15% | 0.15 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -73 | -35.7 | -172.6 | -73.3 | -103.1 | -41.4 | 0 | 0 | 113.1 | W899 M1042 | W899-Q1046 HydrophobicContact CB-CB 3.51Å; W899-Q1046 HydrophobicContact CB-CG 3.95Å; W899-Q1046 HydrophobicContact CG-CB 4.11Å; W899-Q1046 HydrophobicContact CG-CG 4.3Å; M1042-Q1046 WeakPolarHBondContact O-CB 3.27Å; M1042-Q1046 WeakPolarHBondContact O-CG 3.14Å; M1042-Q1046 PolarHBondContact O-N 2.96Å |
| 1047 | V | 81 | Confident | 85 | Confident | 9 Ų | 9 | 41.8 Ų | 41.8 | 6% | 0.055 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 2.9 | -176.8 | -164.8 | 0 | 0 | 0 | 0 | 111.9 | W899 A902 I906 L1024 F1043 F1049 | W899-V1047 HydrophobicContact CB-CG2 4.34Å; W899-V1047 HydrophobicContact CE3-CG2 4.25Å; A902-V1047 HydrophobicContact CB-CG2 4.34Å; I906-V1047 HydrophobicContact CD1-CG1 3.25Å; L1024-V1047 HydrophobicContact CD2-CG1 4.03Å; F1043-V1047 HydrophobicContact CD2-CB 4.27Å; F1043-V1047 HydrophobicContact CD2-CG2 3.86Å; F1043-V1047 HydrophobicContact CE2-CB 4.24Å; F1043-V1047 HydrophobicContact CE2-CG1 4.39Å; F1043-V1047 HydrophobicContact CE2-CG2 4.19Å; F1043-V1047 VanDerWaalsContact O-CB 3.27Å; F1043-V1047 WeakPolarHBondContact O-CB 3.46Å; F1043-V1047 WeakPolarHBondContact O-CG2 3.19Å; F1043-V1047 PolarHBondContact O-N 2.91Å; V1047-F1049 PolarHBondContact O-N 2.91Å |
| 1048 | H | 82.2 | Confident | 84.8 | Confident | 123 Ų | 123 | 43.3 Ų | 43.3 | 57% | 0.569 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 35.9 | -176.2 | -50.5 | -40.4 | 0 | 0 | 0 | 113.7 | A1044 L1045 | A1044-H1048 WeakPolarHBondContact O-CA 3.38Å; A1044-H1048 PolarHBondContact O-N 2.89Å; L1045-H1048 PolarHBondContact O-ND1 2.86Å |
| 1049 | F | 85.2 | Confident | 84.7 | Confident | 11 Ų | 11 | 42.8 Ų | 42.8 | 5% | 0.048 | 20% | 0.2 | C | C | . | . | trans | -75.7 | 133.7 | 179 | 178 | -100.1 | 0 | 0 | 0 | 110.6 | L1024 A1028 F1043 A1044 V1047 L1051 W1054 | L1024-F1049 HydrophobicContact CB-CD2 3.78Å; L1024-F1049 HydrophobicContact CB-CE2 3.82Å; L1024-F1049 HydrophobicContact CD1-CD2 4.43Å; A1028-F1049 HydrophobicContact CB-CE1 3.79Å; A1028-F1049 HydrophobicContact CB-CZ 3.87Å; F1043-F1049 HydrophobicContact CD1-CB 4.47Å; F1043-F1049 HydrophobicContact CD1-CD1 4.39Å; F1043-F1049 HydrophobicContact CE1-CB 3.84Å; F1043-F1049 AromaticContact CE1-CD1 3.66Å; F1043-F1049 HydrophobicContact CE1-CD1 3.66Å; F1043-F1049 HydrophobicContact CE1-CD2 4.13Å; F1043-F1049 HydrophobicContact CE1-CE1 4.17Å; F1043-F1049 AromaticContact CE1-CG 3.62Å; F1043-F1049 HydrophobicContact CE1-CG 3.62Å; F1043-F1049 HydrophobicContact CZ-CB 4.1Å; F1043-F1049 HydrophobicContact CZ-CD1 4.48Å; F1043-F1049 HydrophobicContact CZ-CD2 4.16Å; F1043-F1049 HydrophobicContact CZ-CG 4.01Å; A1044-F1049 PolarHBondContact O-N 2.95Å; A1044-F1049 VanDerWaalsContact O-N 3.09Å; V1047-F1049 PolarHBondContact O-N 2.91Å; F1049-L1051 HydrophobicContact CD1-CB 4.43Å; F1049-L1051 PolarHBondContact O-N 2.77Å; F1049-W1054 HydrophobicContact CE1-CB 3.82Å; F1049-W1054 AromaticContact CE1-CD2 3.88Å; F1049-W1054 HydrophobicContact CE1-CD2 3.88Å; F1049-W1054 HydrophobicContact CE1-CE3 4.17Å; F1049-W1054 AromaticContact CE1-CG 3.71Å; F1049-W1054 HydrophobicContact CE1-CG 3.71Å; F1049-W1054 HydrophobicContact CZ-CB 3.82Å; F1049-W1054 AromaticContact CZ-CD1 3.63Å; F1049-W1054 AromaticContact CZ-CD2 3.89Å; F1049-W1054 HydrophobicContact CZ-CD2 3.89Å; F1049-W1054 AromaticContact CZ-CG 3.47Å; F1049-W1054 HydrophobicContact CZ-CG 3.47Å; F1049-W1054 VanDerWaalsContact CZ-CG 3.47Å | ||
| 1050 | R | 85.1 | Confident | 84.6 | Confident | 168 Ų | 168 | 45.7 Ų | 45.7 | 63% | 0.634 | 22% | 0.216 | S | C | * | . | trans | -75.4 | 66.6 | -175.5 | -63 | -171.1 | -178 | 179.5 | -2 | 112.4 | I1052 L1053 W1054 | R1050-I1052 VanDerWaalsContact C-N 3.33Å; R1050-I1052 PolarHBondContact O-N 3Å; R1050-L1053 HydrophobicContact CB-CD1 4.41Å; R1050-L1053 PolarHBondContact O-N 3.04Å; R1050-W1054 PolarHBondContact O-N 2.82Å; R1050-W1054 VanDerWaalsContact O-N 3.14Å | ||
| 1051 | L | 86 | Confident | 84.5 | Confident | 13 Ų | 13 | 52.2 Ų | 52.2 | 7% | 0.068 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -54.8 | -40.8 | -171.6 | -177.5 | 65.3 | 0 | 0 | 0 | 113.8 | L1040 A1044 F1049 W1054 L1055 | L1040-L1051 HydrophobicContact CD1-CD1 4.14Å; L1040-L1051 HydrophobicContact CD2-CD1 4.04Å; L1040-L1051 HydrophobicContact CG-CD1 3.98Å; A1044-L1051 HydrophobicContact CB-CB 3.83Å; A1044-L1051 HydrophobicContact CB-CD2 3.87Å; A1044-L1051 HydrophobicContact CB-CG 4.28Å; F1049-L1051 HydrophobicContact CD1-CB 4.43Å; F1049-L1051 PolarHBondContact O-N 2.77Å; L1051-W1054 HydrophobicContact CD1-CE3 4.15Å; L1051-W1054 HydrophobicContact CD1-CZ3 4.48Å; L1051-W1054 PolarHBondContact O-N 3.29Å; L1051-L1055 HydrophobicContact CD1-CD1 4.01Å; L1051-L1055 HydrophobicContact CD1-CG 4.03Å; L1051-L1055 HydrophobicContact CD2-CD1 4.44Å; L1051-L1055 HydrophobicContact CG-CD1 3.84Å; L1051-L1055 HydrophobicContact CG-CG 4.28Å; L1051-L1055 VanDerWaalsContact O-CB 3.31Å; L1051-L1055 WeakPolarHBondContact O-CB 3.47Å; L1051-L1055 VanDerWaalsContact O-CG 3.31Å; L1051-L1055 WeakPolarHBondContact O-CG 3.1Å; L1051-L1055 PolarHBondContact O-N 3.19Å |
| 1052 | I | 83 | Confident | 84.4 | Confident | 34 Ų | 34 | 52.8 Ų | 52.8 | 17% | 0.174 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.7 | -53.8 | -178.2 | -61.6 | 174.2 | 0 | 0 | 0 | 110.7 | R1050 W1054 L1055 M1056 I1146 T1150 | R1050-I1052 VanDerWaalsContact C-N 3.33Å; R1050-I1052 PolarHBondContact O-N 3Å; I1052-W1054 VanDerWaalsContact C-N 3.32Å; I1052-W1054 PolarHBondContact O-N 2.61Å; I1052-L1055 PolarHBondContact O-N 3.09Å; I1052-M1056 HydrophobicContact CG2-SD 4.42Å; I1052-M1056 WeakPolarHBondContact O-CG 3.27Å; I1052-M1056 PolarHBondContact O-N 2.91Å; I1052-I1146 HydrophobicContact CG1-CG2 4.31Å; I1052-T1150 HydrophobicContact CB-CG2 4.45Å; I1052-T1150 HydrophobicContact CG2-CG2 3.95Å |
| 1053 | L | 83.8 | Confident | 84.5 | Confident | 92 Ų | 92 | 51.8 Ų | 51.8 | 48% | 0.482 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.3 | -43.5 | 179.4 | -65.8 | 175.7 | 0 | 0 | 0 | 111.3 | R1050 M1056 E1057 | R1050-L1053 HydrophobicContact CB-CD1 4.41Å; R1050-L1053 PolarHBondContact O-N 3.04Å; L1053-M1056 PolarHBondContact O-N 2.76Å; L1053-E1057 PolarHBondContact O-N 3.45Å |
| 1054 | W | 89.6 | Confident | 84.6 | Confident | 14 Ų | 14 | 55.9 Ų | 55.9 | 5% | 0.053 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.3 | -42.5 | 178.6 | 179.5 | 81.3 | 0 | 0 | 0 | 112.8 | S1025 A1028 A1029 I1032 F1049 R1050 L1051 I1052 M1056 E1057 E1058 A1062 | S1025-W1054 PolarHBondContact OG-NE1 2.72Å; A1028-W1054 VanDerWaalsContact C-CH2 3.45Å; A1028-W1054 HydrophobicContact CB-CD2 4.19Å; A1028-W1054 HydrophobicContact CB-CE3 4.24Å; A1028-W1054 HydrophobicContact CB-CH2 3.67Å; A1028-W1054 HydrophobicContact CB-CZ2 3.6Å; A1028-W1054 HydrophobicContact CB-CZ3 4Å; A1029-W1054 HydrophobicContact CB-CZ2 4Å; I1032-W1054 HydrophobicContact CG2-CH2 3.86Å; I1032-W1054 HydrophobicContact CG2-CZ3 4.44Å; F1049-W1054 HydrophobicContact CE1-CB 3.82Å; F1049-W1054 AromaticContact CE1-CD2 3.88Å; F1049-W1054 HydrophobicContact CE1-CD2 3.88Å; F1049-W1054 HydrophobicContact CE1-CE3 4.17Å; F1049-W1054 AromaticContact CE1-CG 3.71Å; F1049-W1054 HydrophobicContact CE1-CG 3.71Å; F1049-W1054 HydrophobicContact CZ-CB 3.82Å; F1049-W1054 AromaticContact CZ-CD1 3.63Å; F1049-W1054 AromaticContact CZ-CD2 3.89Å; F1049-W1054 HydrophobicContact CZ-CD2 3.89Å; F1049-W1054 AromaticContact CZ-CG 3.47Å; F1049-W1054 HydrophobicContact CZ-CG 3.47Å; F1049-W1054 VanDerWaalsContact CZ-CG 3.47Å; R1050-W1054 PolarHBondContact O-N 2.82Å; R1050-W1054 VanDerWaalsContact O-N 3.14Å; L1051-W1054 HydrophobicContact CD1-CE3 4.15Å; L1051-W1054 HydrophobicContact CD1-CZ3 4.48Å; L1051-W1054 PolarHBondContact O-N 3.29Å; I1052-W1054 VanDerWaalsContact C-N 3.32Å; I1052-W1054 PolarHBondContact O-N 2.61Å; W1054-M1056 VanDerWaalsContact C-N 3.3Å; W1054-M1056 PolarHBondContact O-N 3.46Å; W1054-E1057 PolarHBondContact O-N 2.86Å; W1054-E1058 HydrophobicContact CH2-CB 4.5Å; W1054-E1058 HydrophobicContact CZ2-CB 4.21Å; W1054-E1058 HydrophobicContact CZ2-CG 4.02Å; W1054-E1058 PolarHBondContact O-N 2.88Å; W1054-A1062 HydrophobicContact CH2-CB 4.47Å |
| 1055 | L | 86.9 | Confident | 84.8 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.9 | -35.7 | 175.1 | -80.6 | 173.1 | 0 | 0 | 0 | 112.1 | I1032 L1051 I1052 E1057 E1058 R1059 A1063 I1146 M1147 T1150 | I1032-L1055 HydrophobicContact CD1-CD2 3.7Å; L1051-L1055 HydrophobicContact CD1-CD1 4.01Å; L1051-L1055 HydrophobicContact CD1-CG 4.03Å; L1051-L1055 HydrophobicContact CD2-CD1 4.44Å; L1051-L1055 HydrophobicContact CG-CD1 3.84Å; L1051-L1055 HydrophobicContact CG-CG 4.28Å; L1051-L1055 VanDerWaalsContact O-CB 3.31Å; L1051-L1055 WeakPolarHBondContact O-CB 3.47Å; L1051-L1055 VanDerWaalsContact O-CG 3.31Å; L1051-L1055 WeakPolarHBondContact O-CG 3.1Å; L1051-L1055 PolarHBondContact O-N 3.19Å; I1052-L1055 PolarHBondContact O-N 3.09Å; L1055-E1057 VanDerWaalsContact C-N 3.29Å; L1055-E1057 PolarHBondContact O-N 2.87Å; L1055-E1058 PolarHBondContact O-N 2.8Å; L1055-R1059 WeakPolarHBondContact O-CA 3.46Å; L1055-R1059 VanDerWaalsContact O-CB 3.28Å; L1055-R1059 WeakPolarHBondContact O-CB 2.98Å; L1055-R1059 PolarHBondContact O-N 3.46Å; L1055-A1063 HydrophobicContact CD2-CB 4.02Å; L1055-I1146 HydrophobicContact CD1-CG2 3.74Å; L1055-M1147 HydrophobicContact CD1-CE 4.11Å; L1055-M1147 HydrophobicContact CD1-SD 4.1Å; L1055-T1150 HydrophobicContact CB-CG2 3.62Å; L1055-T1150 HydrophobicContact CD1-CG2 4.09Å |
| 1056 | M | 84.7 | Confident | 85.2 | Confident | 75 Ų | 75 | 58.6 Ų | 58.6 | 37% | 0.369 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.2 | -35 | 175.6 | -68.2 | 176.2 | 81.1 | 0 | 0 | 112.4 | I1052 L1053 W1054 T1150 | I1052-M1056 HydrophobicContact CG2-SD 4.42Å; I1052-M1056 WeakPolarHBondContact O-CG 3.27Å; I1052-M1056 PolarHBondContact O-N 2.91Å; L1053-M1056 PolarHBondContact O-N 2.76Å; W1054-M1056 VanDerWaalsContact C-N 3.3Å; W1054-M1056 PolarHBondContact O-N 3.46Å; M1056-T1150 HydrophobicContact CG-CG2 4.18Å |
| 1057 | E | 86.2 | Confident | 85.8 | Confident | 147 Ų | 147 | 64.7 Ų | 64.7 | 69% | 0.687 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -77.6 | -39.1 | 176.6 | -66.5 | -179.8 | 170.4 | 0 | 0 | 112.9 | L1053 W1054 L1055 | L1053-E1057 PolarHBondContact O-N 3.45Å; W1054-E1057 PolarHBondContact O-N 2.86Å; L1055-E1057 VanDerWaalsContact C-N 3.29Å; L1055-E1057 PolarHBondContact O-N 2.87Å |
| 1058 | E | 86.7 | Confident | 86.4 | Confident | 33 Ų | 33 | 64.3 Ų | 64.3 | 15% | 0.154 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -97.2 | 3.2 | -175.1 | -77.2 | -64.5 | 126.5 | 0 | 0 | 114.8 | W1054 L1055 N1060 K1061 A1062 A1063 | W1054-E1058 HydrophobicContact CH2-CB 4.5Å; W1054-E1058 HydrophobicContact CZ2-CB 4.21Å; W1054-E1058 HydrophobicContact CZ2-CG 4.02Å; W1054-E1058 PolarHBondContact O-N 2.88Å; L1055-E1058 PolarHBondContact O-N 2.8Å; E1058-N1060 PolarHBondContact O-N 2.85Å; E1058-N1060 VanDerWaalsContact O-N 3.1Å; E1058-K1061 CarbonylContact O-C 3.56Å; E1058-K1061 PolarHBondContact O-N 3.04Å; E1058-K1061 WeakPolarHBondContact OE1-CD 3.5Å; E1058-K1061 WeakPolarHBondContact OE1-CE 3.37Å; E1058-K1061 IonicContact OE1-NZ 2.72Å; E1058-K1061 PolarHBondContact OE1-NZ 3.16Å; E1058-K1061 WeakPolarHBondContact OE2-CB 3.29Å; E1058-A1062 HydrophobicContact CB-CB 4.34Å; E1058-A1062 PolarHBondContact O-N 2.89Å; E1058-A1062 VanDerWaalsContact OE2-CB 3.32Å; E1058-A1062 WeakPolarHBondContact OE2-CB 3.49Å; E1058-A1062 PolarHBondContact OE2-N 3.4Å; E1058-A1063 PolarHBondContact O-N 3.4Å |
| 1059 | R | 84.8 | Confident | 86.8 | Confident | 50 Ų | 50 | 59.5 Ų | 59.5 | 19% | 0.189 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | -38.7 | -177.4 | 65 | -174.5 | -166 | -168.8 | 5.3 | 114.7 | L1055 Y1181 | L1055-R1059 WeakPolarHBondContact O-CA 3.46Å; L1055-R1059 VanDerWaalsContact O-CB 3.28Å; L1055-R1059 WeakPolarHBondContact O-CB 2.98Å; L1055-R1059 PolarHBondContact O-N 3.46Å; R1059-Y1181 VanDerWaalsContact NH1-CE1 3.26Å |
| 1060 | N | 83 | Confident | 87.1 | Confident | 83 Ų | 83 | 62.3 Ų | 62.3 | 44% | 0.444 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 2.1 | -178 | -70.3 | -9 | 0 | 0 | 0 | 113.3 | E1058 | E1058-N1060 PolarHBondContact O-N 2.85Å; E1058-N1060 VanDerWaalsContact O-N 3.1Å |
| 1061 | K | 86.7 | Confident | 87.4 | Confident | 139 Ų | 139 | 54.3 Ų | 54.3 | 60% | 0.604 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.4 | -103.5 | -176.9 | -68.7 | -170.1 | -127 | 143 | 0 | 110.3 | E1058 A1063 K1064 | E1058-K1061 CarbonylContact O-C 3.56Å; E1058-K1061 PolarHBondContact O-N 3.04Å; E1058-K1061 WeakPolarHBondContact OE1-CD 3.5Å; E1058-K1061 WeakPolarHBondContact OE1-CE 3.37Å; E1058-K1061 IonicContact OE1-NZ 2.72Å; E1058-K1061 PolarHBondContact OE1-NZ 3.16Å; E1058-K1061 WeakPolarHBondContact OE2-CB 3.29Å; K1061-A1063 VanDerWaalsContact C-N 3.28Å; K1061-A1063 PolarHBondContact O-N 2.88Å; K1061-K1064 WeakPolarHBondContact O-CB 3.47Å; K1061-K1064 PolarHBondContact O-N 3.41Å |
| 1062 | A | 84.2 | Confident | 87.6 | Confident | 22 Ų | 22 | 53.7 Ų | 53.7 | 18% | 0.182 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -34.7 | -175 | 0 | 0 | 0 | 0 | 0 | 113.2 | A1029 I1032 W1054 E1058 K1064 | A1029-A1062 HydrophobicContact CB-CB 3.8Å; I1032-A1062 HydrophobicContact CG2-CB 4.02Å; I1032-A1062 WeakPolarHBondContact CG2-O 3.29Å; W1054-A1062 HydrophobicContact CH2-CB 4.47Å; E1058-A1062 HydrophobicContact CB-CB 4.34Å; E1058-A1062 PolarHBondContact O-N 2.89Å; E1058-A1062 VanDerWaalsContact OE2-CB 3.32Å; E1058-A1062 WeakPolarHBondContact OE2-CB 3.49Å; E1058-A1062 PolarHBondContact OE2-N 3.4Å; A1062-K1064 VanDerWaalsContact C-N 3.31Å; A1062-K1064 PolarHBondContact O-N 2.78Å |
| 1063 | A | 85 | Confident | 88 | Confident | 3 Ų | 3 | 56.6 Ų | 56.6 | 3% | 0.025 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -8.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | I1032 L1055 E1058 K1061 V1065 W1155 | I1032-A1063 HydrophobicContact CD1-CB 3.66Å; L1055-A1063 HydrophobicContact CD2-CB 4.02Å; E1058-A1063 PolarHBondContact O-N 3.4Å; K1061-A1063 VanDerWaalsContact C-N 3.28Å; K1061-A1063 PolarHBondContact O-N 2.88Å; A1063-V1065 PolarHBondContact O-N 3.3Å; A1063-W1155 PolarHBondContact O-NE1 2.79Å |
| 1064 | K | 88.6 | Confident | 88.2 | Confident | 85 Ų | 85 | 55.9 Ų | 55.9 | 37% | 0.37 | 27% | 0.265 | S | S | . | . | trans | -70.2 | 125 | 178.9 | -175.9 | -178.4 | 177.3 | 178.7 | 0 | 110.6 | K1061 A1062 D1154 N1189 | K1061-K1064 WeakPolarHBondContact O-CB 3.47Å; K1061-K1064 PolarHBondContact O-N 3.41Å; A1062-K1064 VanDerWaalsContact C-N 3.31Å; A1062-K1064 PolarHBondContact O-N 2.78Å; K1064-D1154 WeakPolarHBondContact CA-OD2 3.49Å; K1064-D1154 WeakPolarHBondContact CG-OD2 3.17Å; K1064-N1189 WeakPolarHBondContact CE-ND2 3.31Å; K1064-N1189 WeakPolarHBondContact CE-OD1 3.42Å; K1064-N1189 PolarHBondContact NZ-OD1 2.87Å | ||
| 1065 | V | 90 | Very high | 88.2 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | trans | -83.2 | 126.7 | 179.1 | -176.6 | 0 | 0 | 0 | 0 | 110 | Y1035 A1063 Y1068 A1071 D1154 W1155 L1158 N1189 | Y1035-V1065 HydrophobicContact CE1-CG1 4.24Å; A1063-V1065 PolarHBondContact O-N 3.3Å; V1065-Y1068 HydrophobicContact CB-CD2 4.19Å; V1065-Y1068 HydrophobicContact CB-CE2 3.89Å; V1065-Y1068 HydrophobicContact CG1-CD2 3.71Å; V1065-Y1068 HydrophobicContact CG1-CE2 3.95Å; V1065-Y1068 HydrophobicContact CG1-CG 4.31Å; V1065-A1071 HydrophobicContact CG1-CB 3.86Å; V1065-D1154 HydrophobicContact CB-CB 3.86Å; V1065-D1154 HydrophobicContact CG2-CB 3.69Å; V1065-D1154 PolarHBondContact N-OD2 3.01Å; V1065-W1155 HydrophobicContact CG2-CD2 3.91Å; V1065-W1155 HydrophobicContact CG2-CE3 4.43Å; V1065-W1155 HydrophobicContact CG2-CG 4.29Å; V1065-W1155 HydrophobicContact CG2-CH2 4.34Å; V1065-W1155 HydrophobicContact CG2-CZ2 3.82Å; V1065-L1158 HydrophobicContact CG1-CD1 4.11Å; V1065-L1158 HydrophobicContact CG2-CD1 4Å; V1065-N1189 PolarHBondContact O-ND2 2.82Å | ||
| 1066 | T | 87.8 | Confident | 88.3 | Confident | 97 Ų | 97 | 58.1 Ų | 58.1 | 60% | 0.595 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -107.6 | -20.8 | 179.5 | 57 | 0 | 0 | 0 | 0 | 113.8 | Y1035 | Y1035-T1066 PolarHBondContact OH-OG1 3.45Š|
| 1067 | R | 91 | Very high | 88.3 | Confident | 160 Ų | 160 | 60.8 Ų | 60.8 | 60% | 0.604 | 29% | 0.291 | S | S | * | . | trans | -133 | 82.9 | 177.8 | -66.1 | -174.6 | 172.6 | 168.9 | -4.3 | 111.1 | Y1035 I1070 A1071 | Y1035-R1067 HydrophobicContact CE2-CB 4.34Å; Y1035-R1067 PolarHBondContact OH-N 3.42Å; R1067-I1070 HydrophobicContact CB-CD1 4.31Å; R1067-I1070 HydrophobicContact CB-CG1 4.44Å; R1067-I1070 PolarHBondContact O-N 2.73Å; R1067-A1071 PolarHBondContact O-N 2.78Å; R1067-A1071 VanDerWaalsContact O-N 3.09Å | ||
| 1068 | Y | 93.6 | Very high | 88.2 | Confident | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.008 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -52.3 | -45.2 | -177.6 | -88.2 | -114.8 | 0 | 0 | 0 | 114.6 | V1065 I1070 A1071 L1072 D1154 L1157 L1158 M1190 G1193 L1197 | V1065-Y1068 HydrophobicContact CB-CD2 4.19Å; V1065-Y1068 HydrophobicContact CB-CE2 3.89Å; V1065-Y1068 HydrophobicContact CG1-CD2 3.71Å; V1065-Y1068 HydrophobicContact CG1-CE2 3.95Å; V1065-Y1068 HydrophobicContact CG1-CG 4.31Å; Y1068-I1070 PolarHBondContact O-N 3.06Å; Y1068-A1071 PolarHBondContact O-N 3.11Å; Y1068-L1072 WeakPolarHBondContact O-CB 3.1Å; Y1068-L1072 PolarHBondContact O-N 3.46Å; Y1068-D1154 WeakPolarHBondContact OH-CA 3.37Å; Y1068-D1154 WeakPolarHBondContact OH-CB 3.43Å; Y1068-D1154 VanDerWaalsContact OH-CG 3.29Å; Y1068-D1154 PolarHBondContact OH-OD1 3.09Å; Y1068-L1157 HydrophobicContact CE1-CD2 3.92Å; Y1068-L1157 HydrophobicContact CE1-CG 4.45Å; Y1068-L1158 HydrophobicContact CD1-CD2 3.72Å; Y1068-L1158 HydrophobicContact CD1-CG 4.21Å; Y1068-L1158 HydrophobicContact CE1-CD2 4.27Å; Y1068-L1158 HydrophobicContact CE1-CG 4.31Å; Y1068-L1158 HydrophobicContact CG-CD2 4.41Å; Y1068-M1190 WeakPolarHBondContact OH-CA 3.47Å; Y1068-M1190 WeakPolarHBondContact OH-CG 3.23Å; Y1068-G1193 VanDerWaalsContact CD2-CA 3.47Å; Y1068-G1193 VanDerWaalsContact CG-CA 3.43Å; Y1068-L1197 HydrophobicContact CD1-CD1 3.88Å; Y1068-L1197 HydrophobicContact CG-CD1 4.49Å |
| 1069 | P | 91 | Very high | 88.1 | Confident | 22 Ų | 22 | 54.3 Ų | 54.3 | 14% | 0.143 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59 | -47.4 | 178.7 | -28.8 | 37.3 | 0 | 0 | 0 | 114.3 | L1072 E1073 D1196 L1197 W1200 | P1069-L1072 PolarHBondContact O-N 3.13Å; P1069-E1073 VanDerWaalsContact O-CB 3.31Å; P1069-E1073 WeakPolarHBondContact O-CB 3.25Å; P1069-E1073 PolarHBondContact O-N 3.43Å; P1069-D1196 HydrophobicContact CG-CB 4.17Å; P1069-L1197 HydrophobicContact CB-CD2 4.44Å; P1069-L1197 HydrophobicContact CG-CD2 4.24Å; P1069-W1200 HydrophobicContact CB-CB 4.11Å; P1069-W1200 HydrophobicContact CB-CD2 3.94Å; P1069-W1200 HydrophobicContact CB-CG 3.68Å; P1069-W1200 HydrophobicContact CG-CB 4.03Å; P1069-W1200 HydrophobicContact CG-CG 4.16Å |
| 1070 | I | 91.1 | Very high | 87.4 | Confident | 70 Ų | 70 | 55.3 Ų | 55.3 | 36% | 0.359 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -69.6 | -37.2 | -178.5 | -52.8 | 179.2 | 0 | 0 | 0 | 110.6 | Y1035 R1067 Y1068 K1074 | Y1035-I1070 HydrophobicContact CD2-CB 4.42Å; Y1035-I1070 HydrophobicContact CD2-CG2 4.13Å; Y1035-I1070 HydrophobicContact CE2-CB 4.25Å; Y1035-I1070 HydrophobicContact CE2-CG2 4.26Å; R1067-I1070 HydrophobicContact CB-CD1 4.31Å; R1067-I1070 HydrophobicContact CB-CG1 4.44Å; R1067-I1070 PolarHBondContact O-N 2.73Å; Y1068-I1070 PolarHBondContact O-N 3.06Å; I1070-K1074 PolarHBondContact O-N 3.5Å |
| 1071 | A | 91.9 | Very high | 86.7 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.5 | -44.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y1035 V1065 R1067 Y1068 L1075 W1155 L1158 | Y1035-A1071 HydrophobicContact CD1-CB 3.86Å; Y1035-A1071 HydrophobicContact CD2-CB 3.98Å; Y1035-A1071 HydrophobicContact CE1-CB 4.2Å; Y1035-A1071 HydrophobicContact CE2-CB 4.32Å; Y1035-A1071 HydrophobicContact CG-CB 3.74Å; V1065-A1071 HydrophobicContact CG1-CB 3.86Å; R1067-A1071 PolarHBondContact O-N 2.78Å; R1067-A1071 VanDerWaalsContact O-N 3.09Å; Y1068-A1071 PolarHBondContact O-N 3.11Å; A1071-L1075 VanDerWaalsContact O-CB 3.26Å; A1071-L1075 WeakPolarHBondContact O-CB 3.12Å; A1071-L1075 PolarHBondContact O-N 3.23Å; A1071-L1075 VanDerWaalsContact O-N 3.07Å; A1071-W1155 HydrophobicContact CB-CH2 4.33Å; A1071-W1155 HydrophobicContact CB-CZ3 4.43Å; A1071-L1158 HydrophobicContact CB-CD1 3.65Å |
| 1072 | L | 91.1 | Very high | 85.2 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.3 | -45.9 | 176.8 | -165.3 | 70.5 | 0 | 0 | 0 | 111.8 | Y1068 P1069 K1074 L1075 Q1076 L1158 L1161 T1162 L1197 W1200 L1208 | Y1068-L1072 WeakPolarHBondContact O-CB 3.1Å; Y1068-L1072 PolarHBondContact O-N 3.46Å; P1069-L1072 PolarHBondContact O-N 3.13Å; L1072-K1074 PolarHBondContact O-N 2.75Å; L1072-L1075 PolarHBondContact O-N 3.28Å; L1072-L1075 VanDerWaalsContact O-N 3.15Å; L1072-Q1076 WeakPolarHBondContact O-CG 3.42Å; L1072-Q1076 PolarHBondContact O-N 2.92Å; L1072-L1158 HydrophobicContact CB-CD2 3.93Å; L1072-L1158 HydrophobicContact CD1-CB 4.37Å; L1072-L1158 HydrophobicContact CD1-CD2 3.78Å; L1072-L1158 HydrophobicContact CG-CD2 4.4Å; L1072-L1161 HydrophobicContact CD1-CB 3.97Å; L1072-T1162 HydrophobicContact CD1-CG2 3.63Å; L1072-T1162 HydrophobicContact CG-CG2 4.43Å; L1072-L1197 HydrophobicContact CB-CD2 4.34Å; L1072-L1197 HydrophobicContact CD2-CD1 4.49Å; L1072-L1197 HydrophobicContact CD2-CD2 3.7Å; L1072-W1200 HydrophobicContact CD2-CH2 4.37Å; L1072-W1200 HydrophobicContact CD2-CZ3 3.92Å; L1072-L1208 HydrophobicContact CD2-CD1 4.02Å |
| 1073 | E | 89.5 | Confident | 83.7 | Confident | 94 Ų | 94 | 57 Ų | 57 | 44% | 0.439 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.6 | -45.8 | -179.3 | -173.7 | 171.5 | -130.4 | 0 | 0 | 111.8 | P1069 L1075 Q1076 L1077 W1200 | P1069-E1073 VanDerWaalsContact O-CB 3.31Å; P1069-E1073 WeakPolarHBondContact O-CB 3.25Å; P1069-E1073 PolarHBondContact O-N 3.43Å; E1073-L1075 PolarHBondContact O-N 3.38Å; E1073-Q1076 PolarHBondContact O-N 3.44Å; E1073-L1077 WeakPolarHBondContact O-CB 3.28Å; E1073-L1077 PolarHBondContact O-N 3.34Å; E1073-L1077 VanDerWaalsContact O-N 3.16Å; E1073-W1200 HydrophobicContact CB-CZ2 4.13Å; E1073-W1200 HydrophobicContact CG-CZ2 4.49Å |
| 1074 | K | 89.4 | Confident | 81.6 | Confident | 78 Ų | 78 | 64 Ų | 64 | 34% | 0.339 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 172.6 | -84 | -171.8 | 165.2 | -160.6 | 0 | 112.7 | Q1034 I1070 L1072 Q1076 L1077 D1078 | Q1034-K1074 PolarHBondContact O-NZ 3.45Å; I1070-K1074 PolarHBondContact O-N 3.5Å; L1072-K1074 PolarHBondContact O-N 2.75Å; K1074-Q1076 VanDerWaalsContact C-N 3.34Å; K1074-Q1076 PolarHBondContact O-N 3.26Å; K1074-L1077 WeakPolarHBondContact O-CB 3.14Å; K1074-L1077 PolarHBondContact O-N 2.94Å; K1074-D1078 PolarHBondContact O-N 2.88Å |
| 1075 | L | 89.8 | Confident | 79.5 | Confident | 2 Ų | 2 | 63.7 Ų | 63.7 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -69.3 | -33.6 | -176.7 | -155.1 | 149.6 | 0 | 0 | 0 | 111.6 | L1037 A1071 L1072 E1073 L1077 F1079 L1140 W1155 I1159 T1162 | L1037-L1075 HydrophobicContact CB-CD1 4.38Å; L1037-L1075 HydrophobicContact CD2-CD1 3.82Å; A1071-L1075 VanDerWaalsContact O-CB 3.26Å; A1071-L1075 WeakPolarHBondContact O-CB 3.12Å; A1071-L1075 PolarHBondContact O-N 3.23Å; A1071-L1075 VanDerWaalsContact O-N 3.07Å; L1072-L1075 PolarHBondContact O-N 3.28Å; L1072-L1075 VanDerWaalsContact O-N 3.15Å; E1073-L1075 PolarHBondContact O-N 3.38Å; L1075-L1077 VanDerWaalsContact C-N 3.33Å; L1075-F1079 HydrophobicContact CD2-CD2 4.11Å; L1075-F1079 HydrophobicContact CG-CD2 4.2Å; L1075-F1079 WeakPolarHBondContact O-CB 3.1Å; L1075-F1079 WeakPolarHBondContact O-CD2 3.42Å; L1075-F1079 PolarHBondContact O-N 2.97Å; L1075-L1140 HydrophobicContact CD2-CD1 3.82Å; L1075-L1140 HydrophobicContact CD2-CD2 4.42Å; L1075-W1155 HydrophobicContact CD1-CE3 3.94Å; L1075-W1155 HydrophobicContact CD1-CZ3 3.73Å; L1075-I1159 HydrophobicContact CD1-CG1 4.21Å; L1075-T1162 HydrophobicContact CB-CG2 4.36Å; L1075-T1162 HydrophobicContact CD2-CG2 3.53Å; L1075-T1162 VanDerWaalsContact CD2-OG1 3.24Å; L1075-T1162 WeakPolarHBondContact CD2-OG1 3.36Å |
| 1076 | Q | 87.6 | Confident | 77 | Confident | 59 Ų | 59 | 69.7 Ų | 69.7 | 28% | 0.276 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.9 | -31.2 | 168.6 | -69.4 | -177.3 | -59.3 | 0 | 0 | 113.3 | L1072 E1073 K1074 F1079 T1162 | L1072-Q1076 WeakPolarHBondContact O-CG 3.42Å; L1072-Q1076 PolarHBondContact O-N 2.92Å; E1073-Q1076 PolarHBondContact O-N 3.44Å; K1074-Q1076 VanDerWaalsContact C-N 3.34Å; K1074-Q1076 PolarHBondContact O-N 3.26Å; Q1076-F1079 CarbonylContact O-C 3.54Å; Q1076-T1162 HydrophobicContact CG-CG2 3.6Å |
| 1077 | L | 86.3 | Confident | 74.4 | Confident | 131 Ų | 131 | 71.3 Ų | 71.3 | 69% | 0.686 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -75.6 | -42.5 | -179.8 | -142.7 | 160 | 0 | 0 | 0 | 111.5 | E1073 K1074 L1075 | E1073-L1077 WeakPolarHBondContact O-CB 3.28Å; E1073-L1077 PolarHBondContact O-N 3.34Å; E1073-L1077 VanDerWaalsContact O-N 3.16Å; K1074-L1077 WeakPolarHBondContact O-CB 3.14Å; K1074-L1077 PolarHBondContact O-N 2.94Å; L1075-L1077 VanDerWaalsContact C-N 3.33Å |
| 1078 | D | 83.3 | Confident | 71.7 | Confident | 40 Ų | 40 | 67.4 Ų | 67.4 | 21% | 0.214 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -67.9 | -39.5 | 172.7 | -74.4 | -7.5 | 0 | 0 | 0 | 111.4 | K1074 P1080 R1136 | K1074-D1078 PolarHBondContact O-N 2.88Å; D1078-P1080 VanDerWaalsContact O-CD 3.27Å; D1078-P1080 WeakPolarHBondContact O-CD 3.17Å; D1078-R1136 WeakPolarHBondContact O-CD 3.2Å; D1078-R1136 PolarHBondContact O-NH1 2.88Å |
| 1079 | F | 84.2 | Confident | 68.7 | Low | 4 Ų | 4 | 77.1 Ų | 77.1 | 2% | 0.018 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -119 | 80.1 | -176.1 | -58.9 | -90.4 | 0 | 0 | 0 | 112.4 | Y1038 L1075 Q1076 V1081 R1136 L1139 L1140 L1143 | Y1038-F1079 HydrophobicContact CD2-CE1 4.19Å; Y1038-F1079 HydrophobicContact CD2-CZ 4.01Å; L1075-F1079 HydrophobicContact CD2-CD2 4.11Å; L1075-F1079 HydrophobicContact CG-CD2 4.2Å; L1075-F1079 WeakPolarHBondContact O-CB 3.1Å; L1075-F1079 WeakPolarHBondContact O-CD2 3.42Å; L1075-F1079 PolarHBondContact O-N 2.97Å; Q1076-F1079 CarbonylContact O-C 3.54Å; F1079-V1081 VanDerWaalsContact C-N 3.35Å; F1079-V1081 PolarHBondContact O-N 2.93Å; F1079-R1136 HydrophobicContact CD1-CB 4.08Å; F1079-R1136 WeakPolarHBondContact CD1-O 3.42Å; F1079-L1139 HydrophobicContact CE1-CB 4.38Å; F1079-L1139 HydrophobicContact CE1-CD2 4.13Å; F1079-L1139 HydrophobicContact CE1-CG 4.34Å; F1079-L1139 HydrophobicContact CZ-CD2 4.43Å; F1079-L1140 HydrophobicContact CB-CD2 3.9Å; F1079-L1140 HydrophobicContact CD1-CB 3.73Å; F1079-L1140 HydrophobicContact CD1-CD1 4.31Å; F1079-L1140 HydrophobicContact CD1-CD2 4.33Å; F1079-L1140 HydrophobicContact CD1-CG 4.34Å; F1079-L1140 HydrophobicContact CD2-CD1 4.18Å; F1079-L1140 HydrophobicContact CE1-CB 3.96Å; F1079-L1140 HydrophobicContact CE1-CD1 4.41Å; F1079-L1140 HydrophobicContact CE2-CD1 4.31Å; F1079-L1140 HydrophobicContact CG-CB 4.3Å; F1079-L1140 HydrophobicContact CG-CD1 4.19Å; F1079-L1140 HydrophobicContact CG-CD2 4.1Å; F1079-L1140 HydrophobicContact CG-CG 4.43Å; F1079-L1140 HydrophobicContact CZ-CD1 4.41Å; F1079-L1143 HydrophobicContact CZ-CD1 3.93Å |
| 1080 | P | 71.2 | Confident | 65.9 | Low | 71 Ų | 71 | 82 Ų | 82 | 46% | 0.461 | 44% | 0.436 | S | S | . | . | trans | -72.6 | 86.9 | 175 | 29.7 | -35.1 | 0 | 0 | 0 | 111.2 | D1078 S1133 | D1078-P1080 VanDerWaalsContact O-CD 3.27Å; D1078-P1080 WeakPolarHBondContact O-CD 3.17Å; P1080-S1133 PolarHBondContact O-OG 2.84Å; P1080-S1133 VanDerWaalsContact O-OG 3.07Å | ||
| 1081 | V | 67.3 | Low | 62.8 | Low | 30 Ų | 30 | 82.8 Ų | 82.8 | 18% | 0.182 | 45% | 0.453 | C | S | . | . | trans | -84.7 | 125.8 | 172.8 | -173.7 | 0 | 0 | 0 | 0 | 109.4 | F1079 T1083 E1137 L1140 L1163 | F1079-V1081 VanDerWaalsContact C-N 3.35Å; F1079-V1081 PolarHBondContact O-N 2.93Å; V1081-T1083 HydrophobicContact CG1-CG2 4.41Å; V1081-T1083 PolarHBondContact O-N 2.87Å; V1081-T1083 VanDerWaalsContact O-N 3.16Å; V1081-E1137 HydrophobicContact CG1-CG 4.39Å; V1081-E1137 HydrophobicContact CG2-CG 4.39Å; V1081-L1140 HydrophobicContact CG2-CD2 4.11Å; V1081-L1163 HydrophobicContact CG2-CD2 4.49Å | ||
| 1082 | K | 54.9 | Low | 59.7 | Low | 185 Ų | 185 | 91.5 Ų | 91.5 | 80% | 0.804 | 49% | 0.491 | S | S | * | . | trans | -74.7 | 102.5 | 173.1 | -76.5 | -173.7 | 175.1 | -176.6 | 0 | 110 | ||||
| 1083 | T | 53 | Low | 56.6 | Low | 63 Ų | 63 | 100 Ų | 100 | 39% | 0.387 | 53% | 0.531 | S | S | . | . | trans | -94.5 | 97.4 | 177.3 | 39.7 | 0 | 0 | 0 | 0 | 111.3 | V1081 L1085 A1164 | V1081-T1083 HydrophobicContact CG1-CG2 4.41Å; V1081-T1083 PolarHBondContact O-N 2.87Å; V1081-T1083 VanDerWaalsContact O-N 3.16Å; T1083-L1085 VanDerWaalsContact C-N 3.26Å; T1083-L1085 PolarHBondContact O-N 2.87Å; T1083-A1164 HydrophobicContact CG2-CB 3.8Å | ||
| 1084 | D | 41.6 | Very low | 53.7 | Low | 151 Ų | 151 | 101.7 Ų | 101.7 | 81% | 0.807 | 55% | 0.55 | S | S | * | . | trans | -72.6 | 78.3 | 172.9 | -75.2 | -27.9 | 0 | 0 | 0 | 111 | V1086 | D1084-V1086 PolarHBondContact O-N 3.33Š| ||
| 1085 | L | 43.8 | Very low | 50.6 | Low | 78 Ų | 78 | 109.4 Ų | 109.4 | 41% | 0.408 | 58% | 0.577 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.4 | 29.5 | -171.7 | -90.4 | 143.3 | 0 | 0 | 0 | 116 | T1083 | T1083-L1085 VanDerWaalsContact C-N 3.26Å; T1083-L1085 PolarHBondContact O-N 2.87Å |
| 1086 | V | 38.3 | Very low | 47.5 | Very low | 127 Ų | 127 | 116.6 Ų | 116.6 | 77% | 0.77 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -23.7 | -175.5 | -179.4 | 0 | 0 | 0 | 0 | 113.2 | D1084 | D1084-V1086 PolarHBondContact O-N 3.33Š|
| 1087 | N | 33.9 | Very low | 44.5 | Very low | 130 Ų | 130 | 119.6 Ų | 119.6 | 70% | 0.695 | 64% | 0.642 | S | S | * | * | trans | -108.6 | 15 | -166.8 | -77.6 | -20.2 | 0 | 0 | 0 | 117 | K1089 T1090 | N1087-K1089 PolarHBondContact O-N 3.38Å; N1087-T1090 PolarHBondContact O-OG1 3.34Å | ||
| 1088 | A | 33.1 | Very low | 41.6 | Very low | 78 Ų | 78 | 118.1 Ų | 118.1 | 65% | 0.645 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | 2.5 | -178 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 1089 | K | 31.7 | Very low | 38.9 | Very low | 207 Ų | 207 | 123.9 Ų | 123.9 | 90% | 0.9 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | -0.8 | -175.5 | -78.3 | -171.9 | 174.9 | -179.7 | 0 | 116.2 | N1087 | N1087-K1089 PolarHBondContact O-N 3.38Š|
| 1090 | T | 30.3 | Very low | 36.1 | Very low | 124 Ų | 124 | 130.8 Ų | 130.8 | 76% | 0.761 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -118.4 | 7.9 | -171.7 | 45 | 0 | 0 | 0 | 0 | 115.8 | N1087 | N1087-T1090 PolarHBondContact O-OG1 3.34Š|
| 1091 | A | 27.5 | Very low | 33.8 | Very low | 86 Ų | 86 | 138.9 Ų | 138.9 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | trans | -104.4 | 33.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1092 | F | 27.2 | Very low | 31.8 | Very low | 184 Ų | 184 | 141.8 Ų | 141.8 | 81% | 0.807 | 76% | 0.764 | S | S | * | * | trans | -134.6 | 82.4 | 171.3 | -84.4 | -80.6 | 0 | 0 | 0 | 112.3 | ||||
| 1093 | H | 25.3 | Very low | 30.2 | Very low | 179 Ų | 179 | 138.5 Ų | 138.5 | 83% | 0.829 | 76% | 0.761 | S | S | * | * | trans | -143.5 | 120.7 | 159.1 | -101 | -49.9 | 0 | 0 | 0 | 110.4 | R1095 | H1093-R1095 PolarHBondContact O-N 3.01Š| ||
| 1094 | P | 28.5 | Very low | 28.8 | Very low | 129 Ų | 129 | 140.6 Ų | 140.6 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | trans | -79.5 | 100.4 | 172 | 31.5 | -31 | 0 | 0 | 0 | 109.1 | ||||
| 1095 | R | 24 | Very low | 28.1 | Very low | 240 Ų | 240 | 140.4 Ų | 140.4 | 91% | 0.906 | 78% | 0.776 | S | S | * | * | trans | -100.5 | 102 | 166 | -93.8 | -172.1 | 172.7 | 176.9 | -1 | 110.6 | H1093 | H1093-R1095 PolarHBondContact O-N 3.01Š| ||
| 1096 | N | 24.9 | Very low | 27.1 | Very low | 153 Ų | 153 | 141.8 Ų | 141.8 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -57.8 | 158.1 | 156.2 | -82.8 | -25.6 | 0 | 0 | 0 | 110.3 | ||||
| 1097 | S | 24.8 | Very low | 26.5 | Very low | 121 Ų | 121 | 144.7 Ų | 144.7 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | trans | 71 | 85.2 | 178.2 | 68.8 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1098 | A | 25.5 | Very low | 26 | Very low | 100 Ų | 100 | 142.8 Ų | 142.8 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | trans | -157.4 | 67.8 | 139.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | N1100 | A1098-N1100 PolarHBondContact O-N 3.3Š| ||
| 1099 | I | 27 | Very low | 25.7 | Very low | 162 Ų | 162 | 148.5 Ų | 148.5 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | trans | -69 | 100.8 | 162.6 | -63 | 169.6 | 0 | 0 | 0 | 106.5 | ||||
| 1100 | N | 24.3 | Very low | 25.6 | Very low | 148 Ų | 148 | 147.9 Ų | 147.9 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | trans | 176.5 | 143.3 | 142.7 | -93.5 | -40.9 | 0 | 0 | 0 | 112.2 | A1098 | A1098-N1100 PolarHBondContact O-N 3.3Š| ||
| 1101 | R | 23.8 | Very low | 25.7 | Very low | 242 Ų | 242 | 147.5 Ų | 147.5 | 91% | 0.913 | 79% | 0.788 | S | S | * | * | trans | 69.1 | 71.2 | 176.9 | -61.9 | -175.6 | 174.9 | 175.3 | -1.4 | 116.7 | ||||
| 1102 | A | 23.6 | Very low | 26.4 | Very low | 90 Ų | 90 | 147.7 Ų | 147.7 | 74% | 0.744 | 78% | 0.781 | S | S | * | * | trans | -63.4 | 146.4 | 136.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | S1104 | A1102-S1104 PolarHBondContact O-N 3.22Š| ||
| 1103 | P | 23.2 | Very low | 27 | Very low | 116 Ų | 116 | 141.5 Ų | 141.5 | 75% | 0.753 | 76% | 0.758 | S | S | * | * | trans | -69.1 | 128 | 163.9 | 30 | -31.6 | 0 | 0 | 0 | 108.6 | I1105 | P1103-I1105 PolarHBondContact O-N 3.21Š| ||
| 1104 | S | 22.7 | Very low | 27.8 | Very low | 108 Ų | 108 | 139.9 Ų | 139.9 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | trans | -70.2 | 97 | 178.3 | 52.6 | 0 | 0 | 0 | 0 | 110.7 | A1102 V1106 | A1102-S1104 PolarHBondContact O-N 3.22Å; S1104-V1106 VanDerWaalsContact C-N 3.3Å; S1104-V1106 PolarHBondContact O-N 2.79Å; S1104-V1106 VanDerWaalsContact O-N 3.09Å | ||
| 1105 | I | 26.3 | Very low | 28.6 | Very low | 147 Ų | 147 | 138.1 Ų | 138.1 | 75% | 0.754 | 73% | 0.731 | S | S | * | * | trans | -76.1 | 91.5 | 160.4 | -61.7 | 178.7 | 0 | 0 | 0 | 106.8 | P1103 | P1103-I1105 PolarHBondContact O-N 3.21Š| ||
| 1106 | V | 24 | Very low | 29.4 | Very low | 106 Ų | 106 | 130.5 Ų | 130.5 | 64% | 0.642 | 71% | 0.708 | S | S | * | * | trans | -81 | 122.7 | 168.7 | 175.2 | 0 | 0 | 0 | 0 | 107.9 | S1104 S1108 | S1104-V1106 VanDerWaalsContact C-N 3.3Å; S1104-V1106 PolarHBondContact O-N 2.79Å; S1104-V1106 VanDerWaalsContact O-N 3.09Å; V1106-S1108 PolarHBondContact O-N 2.77Å; V1106-S1108 VanDerWaalsContact O-N 3.14Å | ||
| 1107 | E | 24.1 | Very low | 30.3 | Very low | 188 Ų | 188 | 126 Ų | 126 | 88% | 0.879 | 69% | 0.686 | S | S | * | * | trans | 38.8 | 58.4 | 154.7 | -57.2 | -176.5 | 155.8 | 0 | 0 | 117.7 | ||||
| 1108 | S | 23.8 | Very low | 31.2 | Very low | 90 Ų | 90 | 123.1 Ų | 123.1 | 63% | 0.629 | 68% | 0.675 | S | S | * | * | trans | -89.6 | 113.2 | 154.4 | 61 | 0 | 0 | 0 | 0 | 108.9 | V1106 E1110 | V1106-S1108 PolarHBondContact O-N 2.77Å; V1106-S1108 VanDerWaalsContact O-N 3.14Å; S1108-E1110 PolarHBondContact O-N 2.8Å | ||
| 1109 | K | 27.8 | Very low | 32 | Very low | 198 Ų | 198 | 124.4 Ų | 124.4 | 86% | 0.861 | 66% | 0.664 | S | S | * | * | trans | -42.2 | 128.3 | 173.4 | -74.4 | 178 | 168.9 | 178.7 | 0 | 110.5 | K1111 | K1109-K1111 PolarHBondContact O-N 3.44Š| ||
| 1110 | E | 29.2 | Very low | 32.9 | Very low | 195 Ų | 195 | 119.1 Ų | 119.1 | 91% | 0.911 | 64% | 0.637 | S | S | * | * | trans | -58.5 | 105.8 | 173.9 | -69.4 | -177.9 | 136.4 | 0 | 0 | 108.9 | S1108 | S1108-E1110 PolarHBondContact O-N 2.8Š| ||
| 1111 | K | 31.6 | Very low | 33.8 | Very low | 115 Ų | 115 | 117 Ų | 117 | 50% | 0.5 | 63% | 0.626 | S | S | . | * | trans | -69.3 | 129.2 | 171.8 | -71.5 | 178.5 | 153.2 | -108.3 | 0 | 107.7 | K1109 E1115 | K1109-K1111 PolarHBondContact O-N 3.44Å; K1111-E1115 HydrophobicContact CB-CB 4.35Å; K1111-E1115 VanDerWaalsContact CD-OE2 3.28Å; K1111-E1115 WeakPolarHBondContact CD-OE2 3.19Å; K1111-E1115 VanDerWaalsContact CE-OE2 3.27Å; K1111-E1115 WeakPolarHBondContact CE-OE2 3.36Å; K1111-E1115 WeakPolarHBondContact CG-OE2 3.44Å; K1111-E1115 IonicContact NZ-OE2 2.65Å; K1111-E1115 PolarHBondContact NZ-OE2 2.82Å | ||
| 1112 | T | 41.7 | Very low | 34.8 | Very low | 91 Ų | 91 | 109.3 Ų | 109.3 | 56% | 0.558 | 60% | 0.603 | S | S | * | * | trans | -59.5 | 148.1 | 174.4 | 44.5 | 0 | 0 | 0 | 0 | 110 | E1114 E1115 | T1112-E1114 PolarHBondContact O-N 2.93Å; T1112-E1114 VanDerWaalsContact O-N 3.09Å; T1112-E1115 WeakPolarHBondContact O-CB 3.41Å; T1112-E1115 PolarHBondContact O-N 3.4Å | ||
| 1113 | T | 40.8 | Very low | 35.5 | Very low | 54 Ų | 54 | 112.5 Ų | 112.5 | 33% | 0.331 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -61.6 | -21.8 | -174.6 | 43.9 | 0 | 0 | 0 | 0 | 113.3 | L1116 V1117 E1149 | T1113-L1116 PolarHBondContact O-N 3.39Å; T1113-V1117 PolarHBondContact O-N 3.45Å; T1113-E1149 WeakPolarHBondContact CG2-OE2 3.48Å |
| 1114 | E | 42.2 | Very low | 36.2 | Very low | 144 Ų | 144 | 111.3 Ų | 111.3 | 67% | 0.673 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -63.7 | -33.2 | 169.5 | -63.2 | -173.9 | 145.1 | 0 | 0 | 113.3 | T1112 L1116 V1117 G1118 | T1112-E1114 PolarHBondContact O-N 2.93Å; T1112-E1114 VanDerWaalsContact O-N 3.09Å; E1114-L1116 VanDerWaalsContact C-N 3.3Å; E1114-L1116 PolarHBondContact O-N 3.34Å; E1114-V1117 PolarHBondContact O-N 3.17Å; E1114-G1118 PolarHBondContact O-N 2.84Å |
| 1115 | E | 44.9 | Very low | 37.1 | Very low | 92 Ų | 92 | 109 Ų | 109 | 43% | 0.43 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -69 | -28.1 | 174.8 | -71.3 | -162.8 | 173.3 | 0 | 0 | 112.6 | K1111 T1112 G1118 Q1119 | K1111-E1115 HydrophobicContact CB-CB 4.35Å; K1111-E1115 VanDerWaalsContact CD-OE2 3.28Å; K1111-E1115 WeakPolarHBondContact CD-OE2 3.19Å; K1111-E1115 VanDerWaalsContact CE-OE2 3.27Å; K1111-E1115 WeakPolarHBondContact CE-OE2 3.36Å; K1111-E1115 WeakPolarHBondContact CG-OE2 3.44Å; K1111-E1115 IonicContact NZ-OE2 2.65Å; K1111-E1115 PolarHBondContact NZ-OE2 2.82Å; T1112-E1115 WeakPolarHBondContact O-CB 3.41Å; T1112-E1115 PolarHBondContact O-N 3.4Å; E1115-G1118 PolarHBondContact O-N 2.8Å; E1115-Q1119 PolarHBondContact O-N 2.86Å |
| 1116 | L | 41.7 | Very low | 37.8 | Very low | 80 Ų | 80 | 108.5 Ų | 108.5 | 42% | 0.419 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -72.7 | -35.5 | 177.1 | -88.5 | 157.9 | 0 | 0 | 0 | 112 | T1113 E1114 G1118 Q1119 | T1113-L1116 PolarHBondContact O-N 3.39Å; E1114-L1116 VanDerWaalsContact C-N 3.3Å; E1114-L1116 PolarHBondContact O-N 3.34Å; L1116-G1118 VanDerWaalsContact C-N 3.3Å; L1116-Q1119 PolarHBondContact O-N 3.28Å |
| 1117 | V | 44.1 | Very low | 38.5 | Very low | 58 Ų | 58 | 105.9 Ų | 105.9 | 35% | 0.352 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.7 | -39 | 172.1 | -174.6 | 0 | 0 | 0 | 0 | 110.4 | T1113 E1114 Q1119 F1142 | T1113-V1117 PolarHBondContact O-N 3.45Å; E1114-V1117 PolarHBondContact O-N 3.17Å; V1117-Q1119 VanDerWaalsContact C-N 3.26Å; V1117-Q1119 PolarHBondContact O-N 2.85Å; V1117-F1142 HydrophobicContact CG2-CZ 4.27Å |
| 1118 | G | 43.5 | Very low | 39.3 | Very low | 61 Ų | 61 | 102.8 Ų | 102.8 | 63% | 0.629 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -8.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | E1114 E1115 L1116 | E1114-G1118 PolarHBondContact O-N 2.84Å; E1115-G1118 PolarHBondContact O-N 2.8Å; L1116-G1118 VanDerWaalsContact C-N 3.3Å |
| 1119 | Q | 41.3 | Very low | 39.8 | Very low | 127 Ų | 127 | 108.1 Ų | 108.1 | 59% | 0.593 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | -4.8 | 179.5 | -75.5 | -166.6 | -29.8 | 0 | 0 | 114.7 | E1115 L1116 V1117 N1121 | E1115-Q1119 PolarHBondContact O-N 2.86Å; L1116-Q1119 PolarHBondContact O-N 3.28Å; V1117-Q1119 VanDerWaalsContact C-N 3.26Å; V1117-Q1119 PolarHBondContact O-N 2.85Å; Q1119-N1121 PolarHBondContact O-N 2.87Å; Q1119-N1121 VanDerWaalsContact O-N 3.09Å |
| 1120 | L | 45.7 | Very low | 40.6 | Very low | 51 Ų | 51 | 102.3 Ų | 102.3 | 27% | 0.267 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -74.5 | 94.2 | 163.5 | -84.8 | 159.6 | 0 | 0 | 0 | 108.4 | L1045 L1122 F1142 | L1045-L1120 HydrophobicContact CD1-CD1 4.47Å; L1120-L1122 PolarHBondContact O-N 2.64Å; L1120-F1142 HydrophobicContact CD1-CD1 3.81Å; L1120-F1142 HydrophobicContact CD1-CD2 4.23Å; L1120-F1142 HydrophobicContact CD1-CE1 3.66Å; L1120-F1142 HydrophobicContact CD1-CE2 4.1Å; L1120-F1142 HydrophobicContact CD1-CG 4.09Å; L1120-F1142 HydrophobicContact CD1-CZ 3.81Å |
| 1121 | N | 43.7 | Very low | 41.6 | Very low | 104 Ų | 104 | 97.2 Ų | 97.2 | 56% | 0.556 | 51% | 0.514 | S | S | * | . | trans | -53.3 | 104.5 | 176.9 | -102 | 12.7 | 0 | 0 | 0 | 110.6 | Q1119 E1123 L1124 | Q1119-N1121 PolarHBondContact O-N 2.87Å; Q1119-N1121 VanDerWaalsContact O-N 3.09Å; N1121-E1123 PolarHBondContact O-N 3.47Å; N1121-L1124 HydrophobicContact CB-CD1 4.04Å; N1121-L1124 PolarHBondContact O-N 3Å; N1121-L1124 VanDerWaalsContact O-N 3.13Å | ||
| 1122 | L | 44.8 | Very low | 42.8 | Very low | 80 Ų | 80 | 94.4 Ų | 94.4 | 42% | 0.419 | 51% | 0.508 | S | S | . | . | G | 310 helix | trans | -60.6 | -30.2 | -177.7 | -80.9 | 100 | 0 | 0 | 0 | 112.6 | L1045 L1120 L1124 L1125 | L1045-L1122 HydrophobicContact CD2-CD2 4.41Å; L1045-L1122 HydrophobicContact CD2-CG 4.33Å; L1120-L1122 PolarHBondContact O-N 2.64Å; L1122-L1124 PolarHBondContact O-N 2.97Å; L1122-L1125 PolarHBondContact O-N 2.93Å |
| 1123 | E | 38.8 | Very low | 43.8 | Very low | 158 Ų | 158 | 92.5 Ų | 92.5 | 74% | 0.738 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -56.8 | -20.2 | 176.6 | -64 | -177.2 | 157.7 | 0 | 0 | 113.9 | N1121 | N1121-E1123 PolarHBondContact O-N 3.47Š|
| 1124 | L | 38 | Very low | 45 | Very low | 90 Ų | 90 | 93.2 Ų | 93.2 | 47% | 0.471 | 51% | 0.51 | S | S | . | . | G | 310 helix | trans | -88.2 | -16.1 | 178.5 | -71.5 | 164.3 | 0 | 0 | 0 | 113.6 | N1121 L1122 F1130 | N1121-L1124 HydrophobicContact CB-CD1 4.04Å; N1121-L1124 PolarHBondContact O-N 3Å; N1121-L1124 VanDerWaalsContact O-N 3.13Å; L1122-L1124 PolarHBondContact O-N 2.97Å; L1124-F1130 HydrophobicContact CB-CE1 4.19Å; L1124-F1130 HydrophobicContact CB-CE2 4.2Å; L1124-F1130 HydrophobicContact CB-CZ 3.87Å; L1124-F1130 HydrophobicContact CD2-CE2 3.84Å; L1124-F1130 HydrophobicContact CD2-CZ 3.76Å; L1124-F1130 HydrophobicContact CG-CZ 4.31Å; L1124-F1130 WeakPolarHBondContact O-CD1 3.43Å; L1124-F1130 WeakPolarHBondContact O-CD2 3.32Å; L1124-F1130 WeakPolarHBondContact O-CE2 3.35Å; L1124-F1130 WeakPolarHBondContact O-CG 3.3Å |
| 1125 | L | 40.6 | Very low | 46.2 | Very low | 60 Ų | 60 | 87.9 Ų | 87.9 | 31% | 0.314 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -11.4 | -175.2 | -83.2 | 162.9 | 0 | 0 | 0 | 114.5 | L1045 L1122 | L1045-L1125 HydrophobicContact CD2-CD1 3.98Å; L1122-L1125 PolarHBondContact O-N 2.93Å |
| 1126 | E | 41 | Very low | 47.8 | Very low | 136 Ų | 136 | 87.4 Ų | 87.4 | 64% | 0.636 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -91 | -13.5 | 178.3 | -60.8 | -168.2 | 152.5 | 0 | 0 | 113.4 | ||
| 1127 | D | 39.2 | Very low | 49.7 | Very low | 51 Ų | 51 | 86.4 Ų | 86.4 | 27% | 0.273 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -77.1 | 123 | 178.3 | -167.3 | -40.7 | 0 | 0 | 0 | 110.8 | R1129 F1130 | D1127-R1129 PolarHBondContact O-N 2.9Å; D1127-R1129 VanDerWaalsContact OD1-CB 3.26Å; D1127-R1129 WeakPolarHBondContact OD1-CB 3.44Å; D1127-R1129 VanDerWaalsContact OD1-CG 3.26Å; D1127-R1129 WeakPolarHBondContact OD1-CG 3.22Å; D1127-R1129 IonicContact OD1-CZ 2.62Å; D1127-R1129 PolarHBondContact OD1-N 3.04Å; D1127-R1129 IonicContact OD1-NE 3.43Å; D1127-R1129 PolarHBondContact OD1-NE 2.65Å; D1127-R1129 IonicContact OD1-NH2 2.76Å; D1127-R1129 IonicContact OD2-CZ 3.3Å; D1127-R1129 VanDerWaalsContact OD2-CZ 3.23Å; D1127-R1129 IonicContact OD2-NE 3.12Å; D1127-R1129 PolarHBondContact OD2-NE 3.1Å; D1127-R1129 IonicContact OD2-NH2 2.95Å; D1127-R1129 PolarHBondContact OD2-NH2 3.03Å; D1127-F1130 HydrophobicContact CB-CD2 4.49Å; D1127-F1130 WeakPolarHBondContact O-CB 3.42Å; D1127-F1130 PolarHBondContact O-N 2.86Å |
| 1128 | P | 41.2 | Very low | 51.3 | Low | 123 Ų | 123 | 86.5 Ų | 86.5 | 80% | 0.799 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -60.4 | -10.1 | -179.1 | 23.8 | -34 | 0 | 0 | 0 | 114.2 | F1130 | P1128-F1130 PolarHBondContact O-N 2.8Š|
| 1129 | R | 35.1 | Very low | 53.1 | Low | 202 Ų | 202 | 84.5 Ų | 84.5 | 76% | 0.762 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -71.2 | -10.1 | 171 | -64.1 | 177.1 | -76.5 | -168.7 | -0 | 113.8 | D1127 A1131 | D1127-R1129 PolarHBondContact O-N 2.9Å; D1127-R1129 VanDerWaalsContact OD1-CB 3.26Å; D1127-R1129 WeakPolarHBondContact OD1-CB 3.44Å; D1127-R1129 VanDerWaalsContact OD1-CG 3.26Å; D1127-R1129 WeakPolarHBondContact OD1-CG 3.22Å; D1127-R1129 IonicContact OD1-CZ 2.62Å; D1127-R1129 PolarHBondContact OD1-N 3.04Å; D1127-R1129 IonicContact OD1-NE 3.43Å; D1127-R1129 PolarHBondContact OD1-NE 2.65Å; D1127-R1129 IonicContact OD1-NH2 2.76Å; D1127-R1129 IonicContact OD2-CZ 3.3Å; D1127-R1129 VanDerWaalsContact OD2-CZ 3.23Å; D1127-R1129 IonicContact OD2-NE 3.12Å; D1127-R1129 PolarHBondContact OD2-NE 3.1Å; D1127-R1129 IonicContact OD2-NH2 2.95Å; D1127-R1129 PolarHBondContact OD2-NH2 3.03Å; R1129-A1131 VanDerWaalsContact C-N 3.29Å; R1129-A1131 PolarHBondContact O-N 2.87Å |
| 1130 | F | 43.3 | Very low | 55.3 | Low | 77 Ų | 77 | 78.5 Ų | 78.5 | 34% | 0.338 | 43% | 0.43 | S | S | . | . | G | 310 helix | trans | -82.8 | 16.2 | -176.3 | -100.5 | -104.3 | 0 | 0 | 0 | 117 | L1124 D1127 P1128 S1132 S1135 | L1124-F1130 HydrophobicContact CB-CE1 4.19Å; L1124-F1130 HydrophobicContact CB-CE2 4.2Å; L1124-F1130 HydrophobicContact CB-CZ 3.87Å; L1124-F1130 HydrophobicContact CD2-CE2 3.84Å; L1124-F1130 HydrophobicContact CD2-CZ 3.76Å; L1124-F1130 HydrophobicContact CG-CZ 4.31Å; L1124-F1130 WeakPolarHBondContact O-CD1 3.43Å; L1124-F1130 WeakPolarHBondContact O-CD2 3.32Å; L1124-F1130 WeakPolarHBondContact O-CE2 3.35Å; L1124-F1130 WeakPolarHBondContact O-CG 3.3Å; D1127-F1130 HydrophobicContact CB-CD2 4.49Å; D1127-F1130 WeakPolarHBondContact O-CB 3.42Å; D1127-F1130 PolarHBondContact O-N 2.86Å; P1128-F1130 PolarHBondContact O-N 2.8Å; F1130-S1132 PolarHBondContact O-N 2.89Å; F1130-S1135 WeakPolarHBondContact CD1-OG 3.47Å; F1130-S1135 WeakPolarHBondContact CE1-OG 3.32Å |
| 1131 | A | 50.2 | Low | 57.2 | Low | 88 Ų | 88 | 81.1 Ų | 81.1 | 73% | 0.727 | 44% | 0.436 | S | S | * | . | trans | -67.2 | 14.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | R1129 | R1129-A1131 VanDerWaalsContact C-N 3.29Å; R1129-A1131 PolarHBondContact O-N 2.87Å | ||
| 1132 | S | 57.4 | Low | 59.1 | Low | 56 Ų | 56 | 78.3 Ų | 78.3 | 39% | 0.392 | 42% | 0.419 | S | S | . | . | trans | -77.6 | 139.1 | -176.3 | 102.6 | 0 | 0 | 0 | 0 | 112.4 | F1130 A1134 S1135 | F1130-S1132 PolarHBondContact O-N 2.89Å; S1132-A1134 VanDerWaalsContact C-N 3.25Å; S1132-A1134 PolarHBondContact O-N 2.99Å; S1132-S1135 PolarHBondContact O-N 3.14Å; S1132-S1135 PolarHBondContact OG-N 3.08Å; S1132-S1135 PolarHBondContact OG-OG 2.83Å | ||
| 1133 | S | 62.7 | Low | 61.2 | Low | 51 Ų | 51 | 74.7 Ų | 74.7 | 36% | 0.357 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -57.5 | -35.6 | 179.5 | 174.6 | 0 | 0 | 0 | 0 | 112.8 | P1080 S1135 R1136 E1137 | P1080-S1133 PolarHBondContact O-OG 2.84Å; P1080-S1133 VanDerWaalsContact O-OG 3.07Å; S1133-S1135 PolarHBondContact O-N 3.3Å; S1133-R1136 PolarHBondContact O-N 2.9Å; S1133-E1137 PolarHBondContact O-N 3.17Å; S1133-E1137 VanDerWaalsContact O-N 3.08Å |
| 1134 | A | 66.3 | Low | 63.6 | Low | 69 Ų | 69 | 67.7 Ų | 67.7 | 57% | 0.57 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -62.7 | -38.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | S1132 R1136 E1137 A1138 | S1132-A1134 VanDerWaalsContact C-N 3.25Å; S1132-A1134 PolarHBondContact O-N 2.99Å; A1134-R1136 VanDerWaalsContact C-N 3.3Å; A1134-R1136 PolarHBondContact O-N 2.86Å; A1134-E1137 PolarHBondContact O-N 2.88Å; A1134-A1138 PolarHBondContact O-N 2.82Å; A1134-A1138 VanDerWaalsContact O-N 3.08Å |
| 1135 | S | 67.7 | Low | 65.8 | Low | 32 Ų | 32 | 70.2 Ų | 70.2 | 22% | 0.224 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.8 | -36.2 | 178.4 | -45.9 | 0 | 0 | 0 | 0 | 111.6 | F1130 S1132 S1133 L1139 | F1130-S1135 WeakPolarHBondContact CD1-OG 3.47Å; F1130-S1135 WeakPolarHBondContact CE1-OG 3.32Å; S1132-S1135 PolarHBondContact O-N 3.14Å; S1132-S1135 PolarHBondContact OG-N 3.08Å; S1132-S1135 PolarHBondContact OG-OG 2.83Å; S1133-S1135 PolarHBondContact O-N 3.3Å; S1135-L1139 PolarHBondContact O-N 3.45Å |
| 1136 | R | 77.3 | Confident | 67.9 | Low | 82 Ų | 82 | 67.8 Ų | 67.8 | 31% | 0.309 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -73.1 | -38.5 | 176.3 | -69.6 | -164.8 | -179.4 | -179.5 | 4.4 | 112.7 | D1078 F1079 S1133 A1134 A1138 L1139 L1140 | D1078-R1136 WeakPolarHBondContact O-CD 3.2Å; D1078-R1136 PolarHBondContact O-NH1 2.88Å; F1079-R1136 HydrophobicContact CD1-CB 4.08Å; F1079-R1136 WeakPolarHBondContact CD1-O 3.42Å; S1133-R1136 PolarHBondContact O-N 2.9Å; A1134-R1136 VanDerWaalsContact C-N 3.3Å; A1134-R1136 PolarHBondContact O-N 2.86Å; R1136-A1138 VanDerWaalsContact C-N 3.33Å; R1136-A1138 PolarHBondContact O-N 3.29Å; R1136-L1139 PolarHBondContact O-N 3.43Å; R1136-L1140 WeakPolarHBondContact O-CB 3.42Å; R1136-L1140 PolarHBondContact O-N 3.48Å |
| 1137 | E | 81.7 | Confident | 70.3 | Confident | 59 Ų | 59 | 61.3 Ų | 61.3 | 28% | 0.276 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.6 | -41.3 | 173.7 | -163.5 | -163.1 | 143.5 | 0 | 0 | 111.3 | V1081 S1133 A1134 L1139 L1140 R1141 L1163 | V1081-E1137 HydrophobicContact CG1-CG 4.39Å; V1081-E1137 HydrophobicContact CG2-CG 4.39Å; S1133-E1137 PolarHBondContact O-N 3.17Å; S1133-E1137 VanDerWaalsContact O-N 3.08Å; A1134-E1137 PolarHBondContact O-N 2.88Å; E1137-L1139 PolarHBondContact O-N 3.18Å; E1137-L1140 PolarHBondContact O-N 3.26Å; E1137-L1140 VanDerWaalsContact O-N 3.15Å; E1137-R1141 HydrophobicContact CG-CG 4.37Å; E1137-R1141 WeakPolarHBondContact O-CG 3.49Å; E1137-R1141 PolarHBondContact O-N 3.35Å; E1137-R1141 IonicContact OE1-CZ 3.14Å; E1137-R1141 VanDerWaalsContact OE1-CZ 3.3Å; E1137-R1141 IonicContact OE1-NE 2.65Å; E1137-R1141 PolarHBondContact OE1-NE 2.85Å; E1137-R1141 IonicContact OE1-NH2 2.72Å; E1137-R1141 PolarHBondContact OE1-NH2 2.64Å; E1137-L1163 HydrophobicContact CG-CD2 3.71Å |
| 1138 | A | 77 | Confident | 72.5 | Confident | 60 Ų | 60 | 60.2 Ų | 60.2 | 50% | 0.496 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.1 | -44.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1134 R1136 L1140 R1141 F1142 | A1134-A1138 PolarHBondContact O-N 2.82Å; A1134-A1138 VanDerWaalsContact O-N 3.08Å; R1136-A1138 VanDerWaalsContact C-N 3.33Å; R1136-A1138 PolarHBondContact O-N 3.29Å; A1138-L1140 VanDerWaalsContact C-N 3.32Å; A1138-L1140 PolarHBondContact O-N 2.66Å; A1138-R1141 PolarHBondContact O-N 2.68Å; A1138-F1142 WeakPolarHBondContact O-CB 3.46Å; A1138-F1142 PolarHBondContact O-N 3.27Å |
| 1139 | L | 82.4 | Confident | 74.5 | Confident | 19 Ų | 19 | 57.3 Ų | 57.3 | 10% | 0.099 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.9 | -39.6 | 173.7 | -175 | 67.4 | 0 | 0 | 0 | 111.8 | Y1038 A1041 F1079 S1135 R1136 E1137 F1142 L1143 | Y1038-L1139 HydrophobicContact CD2-CD2 3.81Å; Y1038-L1139 HydrophobicContact CE2-CD2 3.81Å; A1041-L1139 HydrophobicContact CB-CD1 4.4Å; A1041-L1139 HydrophobicContact CB-CD2 4.47Å; F1079-L1139 HydrophobicContact CE1-CB 4.38Å; F1079-L1139 HydrophobicContact CE1-CD2 4.13Å; F1079-L1139 HydrophobicContact CE1-CG 4.34Å; F1079-L1139 HydrophobicContact CZ-CD2 4.43Å; S1135-L1139 PolarHBondContact O-N 3.45Å; R1136-L1139 PolarHBondContact O-N 3.43Å; E1137-L1139 PolarHBondContact O-N 3.18Å; L1139-F1142 WeakPolarHBondContact O-CB 3.21Å; L1139-F1142 PolarHBondContact O-N 2.74Å; L1139-L1143 HydrophobicContact CG-CD1 4.39Å; L1139-L1143 WeakPolarHBondContact O-CG 3.49Å; L1139-L1143 PolarHBondContact O-N 2.66Å |
| 1140 | L | 87.9 | Confident | 76.9 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67.4 | -40.1 | 178.6 | -174.8 | 58.6 | 0 | 0 | 0 | 112.6 | L1075 F1079 V1081 R1136 E1137 A1138 F1142 L1143 Q1144 I1159 L1163 | L1075-L1140 HydrophobicContact CD2-CD1 3.82Å; L1075-L1140 HydrophobicContact CD2-CD2 4.42Å; F1079-L1140 HydrophobicContact CB-CD2 3.9Å; F1079-L1140 HydrophobicContact CD1-CB 3.73Å; F1079-L1140 HydrophobicContact CD1-CD1 4.31Å; F1079-L1140 HydrophobicContact CD1-CD2 4.33Å; F1079-L1140 HydrophobicContact CD1-CG 4.34Å; F1079-L1140 HydrophobicContact CD2-CD1 4.18Å; F1079-L1140 HydrophobicContact CE1-CB 3.96Å; F1079-L1140 HydrophobicContact CE1-CD1 4.41Å; F1079-L1140 HydrophobicContact CE2-CD1 4.31Å; F1079-L1140 HydrophobicContact CG-CB 4.3Å; F1079-L1140 HydrophobicContact CG-CD1 4.19Å; F1079-L1140 HydrophobicContact CG-CD2 4.1Å; F1079-L1140 HydrophobicContact CG-CG 4.43Å; F1079-L1140 HydrophobicContact CZ-CD1 4.41Å; V1081-L1140 HydrophobicContact CG2-CD2 4.11Å; R1136-L1140 WeakPolarHBondContact O-CB 3.42Å; R1136-L1140 PolarHBondContact O-N 3.48Å; E1137-L1140 PolarHBondContact O-N 3.26Å; E1137-L1140 VanDerWaalsContact O-N 3.15Å; A1138-L1140 VanDerWaalsContact C-N 3.32Å; A1138-L1140 PolarHBondContact O-N 2.66Å; L1140-F1142 VanDerWaalsContact C-N 3.34Å; L1140-L1143 PolarHBondContact O-N 3.43Å; L1140-Q1144 PolarHBondContact O-N 2.86Å; L1140-I1159 HydrophobicContact CD1-CB 4.34Å; L1140-I1159 HydrophobicContact CD1-CG1 4Å; L1140-I1159 HydrophobicContact CD1-CG2 3.68Å; L1140-I1159 HydrophobicContact CG-CG2 3.93Å; L1140-L1163 HydrophobicContact CD2-CD2 3.75Å; L1140-L1163 HydrophobicContact CD2-CG 3.87Å; L1140-L1163 HydrophobicContact CG-CD1 4.38Å; L1140-L1163 HydrophobicContact CG-CD2 4.12Å; L1140-L1163 HydrophobicContact CG-CG 4.14Å |
| 1141 | R | 85.3 | Confident | 78.9 | Confident | 107 Ų | 107 | 44.3 Ų | 44.3 | 40% | 0.404 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.5 | -38.4 | 173 | -63.1 | -111.5 | -168.6 | -167.5 | 0.1 | 111.6 | E1137 A1138 Q1144 R1145 L1163 D1165 | E1137-R1141 HydrophobicContact CG-CG 4.37Å; E1137-R1141 WeakPolarHBondContact O-CG 3.49Å; E1137-R1141 PolarHBondContact O-N 3.35Å; E1137-R1141 IonicContact OE1-CZ 3.14Å; E1137-R1141 VanDerWaalsContact OE1-CZ 3.3Å; E1137-R1141 IonicContact OE1-NE 2.65Å; E1137-R1141 PolarHBondContact OE1-NE 2.85Å; E1137-R1141 IonicContact OE1-NH2 2.72Å; E1137-R1141 PolarHBondContact OE1-NH2 2.64Å; A1138-R1141 PolarHBondContact O-N 2.68Å; R1141-Q1144 WeakPolarHBondContact O-CB 3.33Å; R1141-Q1144 PolarHBondContact O-N 2.86Å; R1141-R1145 PolarHBondContact O-N 3.45Å; R1141-R1145 VanDerWaalsContact O-N 3.13Å; R1141-L1163 HydrophobicContact CG-CD1 4.23Å; R1141-L1163 HydrophobicContact CG-CD2 4.23Å; R1141-D1165 IonicContact NH1-OD2 2.76Å; R1141-D1165 PolarHBondContact NH1-OD2 3.41Å |
| 1142 | F | 83 | Confident | 80.7 | Confident | 45 Ų | 45 | 40.4 Ų | 40.4 | 20% | 0.197 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.2 | -43.2 | 173.6 | 178.9 | -107.8 | 0 | 0 | 0 | 111.7 | V1117 L1120 A1138 L1139 L1140 Q1144 R1145 I1146 | V1117-F1142 HydrophobicContact CG2-CZ 4.27Å; L1120-F1142 HydrophobicContact CD1-CD1 3.81Å; L1120-F1142 HydrophobicContact CD1-CD2 4.23Å; L1120-F1142 HydrophobicContact CD1-CE1 3.66Å; L1120-F1142 HydrophobicContact CD1-CE2 4.1Å; L1120-F1142 HydrophobicContact CD1-CG 4.09Å; L1120-F1142 HydrophobicContact CD1-CZ 3.81Å; A1138-F1142 WeakPolarHBondContact O-CB 3.46Å; A1138-F1142 PolarHBondContact O-N 3.27Å; L1139-F1142 WeakPolarHBondContact O-CB 3.21Å; L1139-F1142 PolarHBondContact O-N 2.74Å; L1140-F1142 VanDerWaalsContact C-N 3.34Å; F1142-Q1144 VanDerWaalsContact C-N 3.35Å; F1142-Q1144 PolarHBondContact O-N 3.2Å; F1142-R1145 WeakPolarHBondContact O-CB 2.95Å; F1142-R1145 PolarHBondContact O-N 3.1Å; F1142-R1145 VanDerWaalsContact O-N 3.13Å; F1142-I1146 HydrophobicContact CD1-CD1 3.96Å; F1142-I1146 HydrophobicContact CE1-CD1 3.5Å; F1142-I1146 VanDerWaalsContact CE1-CD1 3.5Å; F1142-I1146 HydrophobicContact CE1-CG1 4.46Å; F1142-I1146 HydrophobicContact CZ-CD1 3.87Å; F1142-I1146 PolarHBondContact O-N 3.16Å |
| 1143 | L | 88.4 | Confident | 82.3 | Confident | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.016 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.8 | -37.8 | 171.8 | -73.1 | 165.9 | 0 | 0 | 0 | 112.4 | L1037 A1041 F1079 L1139 L1140 R1145 I1146 M1147 I1159 | L1037-L1143 HydrophobicContact CD2-CD1 4.1Å; L1037-L1143 HydrophobicContact CG-CD1 4.33Å; A1041-L1143 HydrophobicContact CB-CD1 4.1Å; A1041-L1143 HydrophobicContact CB-CD2 4.08Å; A1041-L1143 HydrophobicContact CB-CG 4.48Å; F1079-L1143 HydrophobicContact CZ-CD1 3.93Å; L1139-L1143 HydrophobicContact CG-CD1 4.39Å; L1139-L1143 WeakPolarHBondContact O-CG 3.49Å; L1139-L1143 PolarHBondContact O-N 2.66Å; L1140-L1143 PolarHBondContact O-N 3.43Å; L1143-R1145 PolarHBondContact O-N 2.98Å; L1143-I1146 PolarHBondContact O-N 2.98Å; L1143-M1147 VanDerWaalsContact O-CG 3.3Å; L1143-M1147 WeakPolarHBondContact O-CG 3.23Å; L1143-M1147 PolarHBondContact O-N 2.89Å; L1143-I1159 HydrophobicContact CB-CD1 4.2Å |
| 1144 | Q | 90.3 | Very high | 83.6 | Confident | 11 Ų | 11 | 35.9 Ų | 35.9 | 5% | 0.051 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -56.4 | -40.8 | 172.4 | -160.1 | -171.8 | 41.8 | 0 | 0 | 111.2 | L1140 R1141 F1142 L1148 L1156 I1159 S1160 T1168 | L1140-Q1144 PolarHBondContact O-N 2.86Å; R1141-Q1144 WeakPolarHBondContact O-CB 3.33Å; R1141-Q1144 PolarHBondContact O-N 2.86Å; F1142-Q1144 VanDerWaalsContact C-N 3.35Å; F1142-Q1144 PolarHBondContact O-N 3.2Å; Q1144-L1148 PolarHBondContact O-N 3.04Å; Q1144-L1156 HydrophobicContact CG-CD1 3.72Å; Q1144-L1156 VanDerWaalsContact O-CD1 3.3Å; Q1144-L1156 WeakPolarHBondContact O-CD1 3.42Å; Q1144-I1159 HydrophobicContact CB-CG2 3.61Å; Q1144-I1159 HydrophobicContact CG-CG2 3.81Å; Q1144-S1160 PolarHBondContact NE2-OG 3.31Å; Q1144-T1168 HydrophobicContact CG-CG2 4.31Å; Q1144-T1168 PolarHBondContact NE2-OG1 3.42Å; Q1144-T1168 PolarHBondContact OE1-OG1 2.61Å |
| 1145 | R | 84.3 | Confident | 84.9 | Confident | 143 Ų | 143 | 32.7 Ų | 32.7 | 54% | 0.54 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -67.1 | -45.5 | 177.7 | -167.1 | 69.9 | -179.8 | -143.8 | -1.7 | 112.2 | R1141 F1142 L1143 M1147 L1148 E1149 | R1141-R1145 PolarHBondContact O-N 3.45Å; R1141-R1145 VanDerWaalsContact O-N 3.13Å; F1142-R1145 WeakPolarHBondContact O-CB 2.95Å; F1142-R1145 PolarHBondContact O-N 3.1Å; F1142-R1145 VanDerWaalsContact O-N 3.13Å; L1143-R1145 PolarHBondContact O-N 2.98Å; R1145-M1147 PolarHBondContact O-N 2.86Å; R1145-L1148 WeakPolarHBondContact O-CB 3.5Å; R1145-L1148 PolarHBondContact O-N 2.88Å; R1145-E1149 IonicContact NE-OE1 3.46Å; R1145-E1149 PolarHBondContact NE-OE1 3Å; R1145-E1149 VanDerWaalsContact NE-OE1 3.12Å; R1145-E1149 PolarHBondContact O-N 2.84Å; R1145-E1149 VanDerWaalsContact O-N 3.13Å |
| 1146 | I | 85 | Confident | 86 | Confident | 9 Ų | 9 | 31.1 Ų | 31.1 | 5% | 0.046 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.1 | -48.7 | 176.1 | -69.9 | 174.1 | 0 | 0 | 0 | 110.7 | I1052 L1055 F1142 L1143 L1148 E1149 T1150 | I1052-I1146 HydrophobicContact CG1-CG2 4.31Å; L1055-I1146 HydrophobicContact CD1-CG2 3.74Å; F1142-I1146 HydrophobicContact CD1-CD1 3.96Å; F1142-I1146 HydrophobicContact CE1-CD1 3.5Å; F1142-I1146 VanDerWaalsContact CE1-CD1 3.5Å; F1142-I1146 HydrophobicContact CE1-CG1 4.46Å; F1142-I1146 HydrophobicContact CZ-CD1 3.87Å; F1142-I1146 PolarHBondContact O-N 3.16Å; L1143-I1146 PolarHBondContact O-N 2.98Å; I1146-L1148 PolarHBondContact O-N 2.79Å; I1146-E1149 PolarHBondContact O-N 3.29Å; I1146-E1149 VanDerWaalsContact O-N 3.09Å; I1146-T1150 HydrophobicContact CG2-CG2 4.1Å; I1146-T1150 WeakPolarHBondContact O-CG2 3.22Å; I1146-T1150 PolarHBondContact O-N 3.16Å; I1146-T1150 PolarHBondContact O-OG1 3.38Å |
| 1147 | M | 90.2 | Very high | 86.7 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.7 | -28.6 | -177.9 | -64.8 | -60.5 | 175.6 | 0 | 0 | 113.2 | L1037 L1055 L1143 R1145 G1151 C1152 W1155 L1156 I1159 | L1037-M1147 HydrophobicContact CD1-CE 3.81Å; L1037-M1147 HydrophobicContact CD2-CE 4.46Å; L1055-M1147 HydrophobicContact CD1-CE 4.11Å; L1055-M1147 HydrophobicContact CD1-SD 4.1Å; L1143-M1147 VanDerWaalsContact O-CG 3.3Å; L1143-M1147 WeakPolarHBondContact O-CG 3.23Å; L1143-M1147 PolarHBondContact O-N 2.89Å; R1145-M1147 PolarHBondContact O-N 2.86Å; M1147-G1151 PolarHBondContact O-N 3.14Å; M1147-C1152 HydrophobicContact CB-CB 4.26Å; M1147-C1152 HydrophobicContact CG-CB 4.46Å; M1147-C1152 PolarHBondContact O-N 3.36Å; M1147-C1152 HydrophobicContact SD-CB 3.45Å; M1147-C1152 WeakPolarHBondContact SD-CB 3.41Å; M1147-W1155 HydrophobicContact CB-CB 4.41Å; M1147-W1155 HydrophobicContact CE-CB 4.12Å; M1147-W1155 HydrophobicContact CE-CG 4.16Å; M1147-W1155 HydrophobicContact CG-CB 3.8Å; M1147-W1155 HydrophobicContact SD-CB 3.75Å; M1147-W1155 HydrophobicContact SD-CG 4.19Å; M1147-L1156 HydrophobicContact CB-CB 4.31Å; M1147-I1159 HydrophobicContact CG-CD1 3.83Å |
| 1148 | L | 85.8 | Confident | 87.3 | Confident | 28 Ų | 28 | 24.4 Ų | 24.4 | 15% | 0.147 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -67.6 | -46.1 | 171.3 | 177 | 63.5 | 0 | 0 | 0 | 111.7 | Q1144 R1145 I1146 L1156 T1168 A1172 Y1176 | Q1144-L1148 PolarHBondContact O-N 3.04Å; R1145-L1148 WeakPolarHBondContact O-CB 3.5Å; R1145-L1148 PolarHBondContact O-N 2.88Å; I1146-L1148 PolarHBondContact O-N 2.79Å; L1148-L1156 HydrophobicContact CB-CD1 4.02Å; L1148-L1156 HydrophobicContact CB-CD2 4.42Å; L1148-L1156 HydrophobicContact CD1-CD2 3.91Å; L1148-T1168 HydrophobicContact CD2-CG2 4.19Å; L1148-A1172 HydrophobicContact CD1-CB 3.39Å; L1148-Y1176 HydrophobicContact CD1-CE2 4.26Å |
| 1149 | E | 82.6 | Confident | 88 | Confident | 63 Ų | 63 | 21.6 Ų | 21.6 | 29% | 0.294 | 9% | 0.093 | S | C | . | . | H | α-helix | trans | -73.5 | -31.9 | -176.3 | -72.1 | 169.3 | -174.2 | 0 | 0 | 112.7 | T1113 R1145 I1146 | T1113-E1149 WeakPolarHBondContact CG2-OE2 3.48Å; R1145-E1149 IonicContact NE-OE1 3.46Å; R1145-E1149 PolarHBondContact NE-OE1 3Å; R1145-E1149 VanDerWaalsContact NE-OE1 3.12Å; R1145-E1149 PolarHBondContact O-N 2.84Å; R1145-E1149 VanDerWaalsContact O-N 3.13Å; I1146-E1149 PolarHBondContact O-N 3.29Å; I1146-E1149 VanDerWaalsContact O-N 3.09Å |
| 1150 | T | 85.6 | Confident | 88.5 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -81.9 | -16 | 177 | 61.6 | 0 | 0 | 0 | 0 | 113.6 | I1052 L1055 M1056 I1146 C1152 | I1052-T1150 HydrophobicContact CB-CG2 4.45Å; I1052-T1150 HydrophobicContact CG2-CG2 3.95Å; L1055-T1150 HydrophobicContact CB-CG2 3.62Å; L1055-T1150 HydrophobicContact CD1-CG2 4.09Å; M1056-T1150 HydrophobicContact CG-CG2 4.18Å; I1146-T1150 HydrophobicContact CG2-CG2 4.1Å; I1146-T1150 WeakPolarHBondContact O-CG2 3.22Å; I1146-T1150 PolarHBondContact O-N 3.16Å; I1146-T1150 PolarHBondContact O-OG1 3.38Å; T1150-C1152 PolarHBondContact OG1-SG 3.15Å |
| 1151 | G | 85.3 | Confident | 88.6 | Confident | 6 Ų | 6 | 20.8 Ų | 20.8 | 6% | 0.062 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | 28.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | M1147 F1153 | M1147-G1151 PolarHBondContact O-N 3.14Å; G1151-F1153 VanDerWaalsContact C-N 3.31Å; G1151-F1153 WeakPolarHBondContact O-CD2 3.08Å; G1151-F1153 WeakPolarHBondContact O-CE2 3.33Å; G1151-F1153 PolarHBondContact O-N 3.29Å; G1151-F1153 VanDerWaalsContact O-N 3.14Å |
| 1152 | C | 89.2 | Confident | 88.8 | Confident | 5 Ų | 5 | 16.1 Ų | 16.1 | 3% | 0.034 | 7% | 0.072 | C | C | . | . | trans | -86.8 | 66.6 | 177.5 | -68.9 | 0 | 0 | 0 | 0 | 111.2 | M1147 T1150 D1154 W1155 L1156 | M1147-C1152 HydrophobicContact CB-CB 4.26Å; M1147-C1152 HydrophobicContact CG-CB 4.46Å; M1147-C1152 PolarHBondContact O-N 3.36Å; M1147-C1152 HydrophobicContact SD-CB 3.45Å; M1147-C1152 WeakPolarHBondContact SD-CB 3.41Å; T1150-C1152 PolarHBondContact OG1-SG 3.15Å; C1152-D1154 VanDerWaalsContact C-N 3.33Å; C1152-D1154 PolarHBondContact O-N 2.9Å; C1152-W1155 PolarHBondContact O-N 3.24Å; C1152-W1155 VanDerWaalsContact O-N 3.13Å; C1152-L1156 PolarHBondContact O-N 2.81Å | ||
| 1153 | F | 89.9 | Confident | 89.1 | Confident | 2 Ų | 2 | 14.5 Ų | 14.5 | 1% | 0.009 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -62.2 | -31.8 | -169.4 | -64.1 | -83.1 | 0 | 0 | 0 | 115 | G1151 W1155 L1156 L1157 A1172 Y1176 Y1181 L1182 V1186 M1190 | G1151-F1153 VanDerWaalsContact C-N 3.31Å; G1151-F1153 WeakPolarHBondContact O-CD2 3.08Å; G1151-F1153 WeakPolarHBondContact O-CE2 3.33Å; G1151-F1153 PolarHBondContact O-N 3.29Å; G1151-F1153 VanDerWaalsContact O-N 3.14Å; F1153-W1155 VanDerWaalsContact C-N 3.34Å; F1153-W1155 PolarHBondContact O-N 2.9Å; F1153-L1156 HydrophobicContact CD1-CD2 4.13Å; F1153-L1156 PolarHBondContact O-N 3.25Å; F1153-L1157 WeakPolarHBondContact O-CB 3.34Å; F1153-L1157 PolarHBondContact O-N 2.76Å; F1153-A1172 HydrophobicContact CE1-CB 4.14Å; F1153-Y1176 HydrophobicContact CE1-CD2 4.31Å; F1153-Y1176 HydrophobicContact CZ-CD2 4.19Å; F1153-Y1176 HydrophobicContact CZ-CG 4.16Å; F1153-Y1181 VanDerWaalsContact CE2-O 3.27Å; F1153-Y1181 WeakPolarHBondContact CE2-O 3.41Å; F1153-L1182 HydrophobicContact CB-CD1 4.09Å; F1153-L1182 HydrophobicContact CD1-CD1 3.6Å; F1153-L1182 HydrophobicContact CD2-CD1 3.45Å; F1153-L1182 VanDerWaalsContact CD2-CD1 3.45Å; F1153-L1182 HydrophobicContact CE1-CD1 3.8Å; F1153-L1182 HydrophobicContact CE2-CB 4.46Å; F1153-L1182 HydrophobicContact CE2-CD1 3.69Å; F1153-L1182 HydrophobicContact CG-CD1 3.41Å; F1153-L1182 VanDerWaalsContact CG-CD1 3.41Å; F1153-L1182 HydrophobicContact CZ-CD1 3.85Å; F1153-V1186 HydrophobicContact CB-CG1 4.14Å; F1153-M1190 HydrophobicContact CB-CE 4.26Å; F1153-M1190 HydrophobicContact CB-SD 3.85Å |
| 1154 | D | 90.8 | Very high | 89.1 | Confident | 10 Ų | 10 | 16.2 Ų | 16.2 | 5% | 0.053 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -56 | -47.6 | 173.5 | -71.5 | -33.9 | 0 | 0 | 0 | 111.2 | K1064 V1065 Y1068 C1152 L1158 N1189 | K1064-D1154 WeakPolarHBondContact CA-OD2 3.49Å; K1064-D1154 WeakPolarHBondContact CG-OD2 3.17Å; V1065-D1154 HydrophobicContact CB-CB 3.86Å; V1065-D1154 HydrophobicContact CG2-CB 3.69Å; V1065-D1154 PolarHBondContact N-OD2 3.01Å; Y1068-D1154 WeakPolarHBondContact OH-CA 3.37Å; Y1068-D1154 WeakPolarHBondContact OH-CB 3.43Å; Y1068-D1154 VanDerWaalsContact OH-CG 3.29Å; Y1068-D1154 PolarHBondContact OH-OD1 3.09Å; C1152-D1154 VanDerWaalsContact C-N 3.33Å; C1152-D1154 PolarHBondContact O-N 2.9Å; D1154-L1158 WeakPolarHBondContact O-CG 3.08Å; D1154-L1158 PolarHBondContact O-N 2.9Å; D1154-N1189 PolarHBondContact OD1-ND2 3.34Å; D1154-N1189 PolarHBondContact OD2-ND2 3.12Å; D1154-N1189 VanDerWaalsContact OD2-ND2 3.15Å |
| 1155 | W | 92.7 | Very high | 89 | Confident | 2 Ų | 2 | 17.5 Ų | 17.5 | 1% | 0.008 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -73.5 | -37 | 178.1 | -73.1 | 107.5 | 0 | 0 | 0 | 112.4 | I1032 Y1035 L1037 A1063 V1065 A1071 L1075 M1147 C1152 F1153 L1157 L1158 I1159 | I1032-W1155 HydrophobicContact CG1-CZ2 3.84Å; Y1035-W1155 AromaticContact CD1-CH2 3.7Å; Y1035-W1155 HydrophobicContact CD1-CH2 3.7Å; Y1035-W1155 AromaticContact CD1-CZ2 3.89Å; Y1035-W1155 HydrophobicContact CD1-CZ2 3.89Å; Y1035-W1155 HydrophobicContact CG-CH2 4.21Å; L1037-W1155 HydrophobicContact CD1-CD2 4.13Å; L1037-W1155 HydrophobicContact CD1-CE3 4.1Å; L1037-W1155 HydrophobicContact CD1-CH2 4.43Å; L1037-W1155 HydrophobicContact CD1-CZ2 4.45Å; L1037-W1155 HydrophobicContact CD1-CZ3 4.27Å; L1037-W1155 HydrophobicContact CD2-CE3 4.24Å; A1063-W1155 PolarHBondContact O-NE1 2.79Å; V1065-W1155 HydrophobicContact CG2-CD2 3.91Å; V1065-W1155 HydrophobicContact CG2-CE3 4.43Å; V1065-W1155 HydrophobicContact CG2-CG 4.29Å; V1065-W1155 HydrophobicContact CG2-CH2 4.34Å; V1065-W1155 HydrophobicContact CG2-CZ2 3.82Å; A1071-W1155 HydrophobicContact CB-CH2 4.33Å; A1071-W1155 HydrophobicContact CB-CZ3 4.43Å; L1075-W1155 HydrophobicContact CD1-CE3 3.94Å; L1075-W1155 HydrophobicContact CD1-CZ3 3.73Å; M1147-W1155 HydrophobicContact CB-CB 4.41Å; M1147-W1155 HydrophobicContact CE-CB 4.12Å; M1147-W1155 HydrophobicContact CE-CG 4.16Å; M1147-W1155 HydrophobicContact CG-CB 3.8Å; M1147-W1155 HydrophobicContact SD-CB 3.75Å; M1147-W1155 HydrophobicContact SD-CG 4.19Å; C1152-W1155 PolarHBondContact O-N 3.24Å; C1152-W1155 VanDerWaalsContact O-N 3.13Å; F1153-W1155 VanDerWaalsContact C-N 3.34Å; F1153-W1155 PolarHBondContact O-N 2.9Å; W1155-L1157 PolarHBondContact O-N 2.85Å; W1155-L1158 HydrophobicContact CE3-CD1 4Å; W1155-L1158 HydrophobicContact CZ3-CD1 4.05Å; W1155-L1158 PolarHBondContact O-N 2.86Å; W1155-I1159 WeakPolarHBondContact O-CB 3.45Å; W1155-I1159 VanDerWaalsContact O-CG1 3.23Å; W1155-I1159 WeakPolarHBondContact O-CG1 3.36Å; W1155-I1159 PolarHBondContact O-N 2.9Å |
| 1156 | L | 92 | Very high | 89.2 | Confident | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -57.2 | -40.7 | 175.1 | -174.1 | 67.9 | 0 | 0 | 0 | 111.2 | Q1144 M1147 L1148 C1152 F1153 S1160 F1169 A1172 | Q1144-L1156 HydrophobicContact CG-CD1 3.72Å; Q1144-L1156 VanDerWaalsContact O-CD1 3.3Å; Q1144-L1156 WeakPolarHBondContact O-CD1 3.42Å; M1147-L1156 HydrophobicContact CB-CB 4.31Å; L1148-L1156 HydrophobicContact CB-CD1 4.02Å; L1148-L1156 HydrophobicContact CB-CD2 4.42Å; L1148-L1156 HydrophobicContact CD1-CD2 3.91Å; C1152-L1156 PolarHBondContact O-N 2.81Å; F1153-L1156 HydrophobicContact CD1-CD2 4.13Å; F1153-L1156 PolarHBondContact O-N 3.25Å; L1156-S1160 VanDerWaalsContact O-CB 3.28Å; L1156-S1160 WeakPolarHBondContact O-CB 3.35Å; L1156-S1160 PolarHBondContact O-N 2.67Å; L1156-S1160 VanDerWaalsContact O-N 3.09Å; L1156-S1160 PolarHBondContact O-OG 2.7Å; L1156-F1169 HydrophobicContact CD2-CD2 4.16Å; L1156-F1169 HydrophobicContact CG-CD2 4.16Å; L1156-A1172 HydrophobicContact CD2-CB 3.54Å |
| 1157 | L | 92.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.9 | -52.3 | 174.9 | 176.9 | 51.4 | 0 | 0 | 0 | 111.8 | Y1068 F1153 W1155 I1159 S1160 L1161 L1166 F1169 M1190 L1194 A1215 | Y1068-L1157 HydrophobicContact CE1-CD2 3.92Å; Y1068-L1157 HydrophobicContact CE1-CG 4.45Å; F1153-L1157 WeakPolarHBondContact O-CB 3.34Å; F1153-L1157 PolarHBondContact O-N 2.76Å; W1155-L1157 PolarHBondContact O-N 2.85Å; L1157-I1159 PolarHBondContact O-N 2.88Å; L1157-S1160 PolarHBondContact O-N 2.99Å; L1157-L1161 HydrophobicContact CD1-CD1 4.1Å; L1157-L1161 HydrophobicContact CD1-CG 4.21Å; L1157-L1161 HydrophobicContact CG-CD1 4.29Å; L1157-L1161 WeakPolarHBondContact O-CG 3.26Å; L1157-L1161 PolarHBondContact O-N 3.07Å; L1157-L1166 HydrophobicContact CD1-CD2 4.38Å; L1157-F1169 HydrophobicContact CB-CD2 3.98Å; L1157-F1169 HydrophobicContact CB-CE2 3.64Å; L1157-F1169 HydrophobicContact CB-CZ 4.1Å; L1157-F1169 HydrophobicContact CD1-CD1 4.12Å; L1157-F1169 HydrophobicContact CD1-CD2 4.41Å; L1157-F1169 HydrophobicContact CD1-CE1 3.89Å; L1157-F1169 HydrophobicContact CD1-CE2 4.2Å; L1157-F1169 HydrophobicContact CD1-CG 4.37Å; L1157-F1169 HydrophobicContact CD1-CZ 3.93Å; L1157-F1169 HydrophobicContact CD2-CE2 4.49Å; L1157-F1169 HydrophobicContact CD2-CZ 4.16Å; L1157-F1169 HydrophobicContact CG-CE2 4.32Å; L1157-F1169 HydrophobicContact CG-CZ 4.29Å; L1157-M1190 HydrophobicContact CD2-CB 4.19Å; L1157-M1190 HydrophobicContact CD2-CG 4.22Å; L1157-M1190 HydrophobicContact CD2-SD 4.29Å; L1157-L1194 HydrophobicContact CD1-CD2 4.41Å; L1157-L1194 HydrophobicContact CD2-CD1 3.95Å; L1157-L1194 HydrophobicContact CD2-CD2 4.09Å; L1157-L1194 HydrophobicContact CD2-CG 3.94Å; L1157-A1215 HydrophobicContact CD1-CB 3.95Å |
| 1158 | L | 93.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.5 | -43.3 | -180 | -69.4 | 174.8 | 0 | 0 | 0 | 113 | V1065 Y1068 A1071 L1072 D1154 W1155 S1160 L1161 T1162 L1197 | V1065-L1158 HydrophobicContact CG1-CD1 4.11Å; V1065-L1158 HydrophobicContact CG2-CD1 4Å; Y1068-L1158 HydrophobicContact CD1-CD2 3.72Å; Y1068-L1158 HydrophobicContact CD1-CG 4.21Å; Y1068-L1158 HydrophobicContact CE1-CD2 4.27Å; Y1068-L1158 HydrophobicContact CE1-CG 4.31Å; Y1068-L1158 HydrophobicContact CG-CD2 4.41Å; A1071-L1158 HydrophobicContact CB-CD1 3.65Å; L1072-L1158 HydrophobicContact CB-CD2 3.93Å; L1072-L1158 HydrophobicContact CD1-CB 4.37Å; L1072-L1158 HydrophobicContact CD1-CD2 3.78Å; L1072-L1158 HydrophobicContact CG-CD2 4.4Å; D1154-L1158 WeakPolarHBondContact O-CG 3.08Å; D1154-L1158 PolarHBondContact O-N 2.9Å; W1155-L1158 HydrophobicContact CE3-CD1 4Å; W1155-L1158 HydrophobicContact CZ3-CD1 4.05Å; W1155-L1158 PolarHBondContact O-N 2.86Å; L1158-S1160 VanDerWaalsContact C-N 3.33Å; L1158-S1160 PolarHBondContact O-N 3.02Å; L1158-L1161 PolarHBondContact O-N 2.8Å; L1158-T1162 PolarHBondContact O-N 2.8Å; L1158-T1162 PolarHBondContact O-OG1 2.92Å; L1158-L1197 HydrophobicContact CD2-CD1 4.41Å |
| 1159 | I | 91.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63.3 | -42 | 177.3 | -66.8 | 166.5 | 0 | 0 | 0 | 110.5 | L1037 L1075 L1140 L1143 Q1144 M1147 W1155 L1157 L1161 T1162 L1163 | L1037-I1159 HydrophobicContact CD2-CD1 3.92Å; L1037-I1159 HydrophobicContact CD2-CG1 4.25Å; L1075-I1159 HydrophobicContact CD1-CG1 4.21Å; L1140-I1159 HydrophobicContact CD1-CB 4.34Å; L1140-I1159 HydrophobicContact CD1-CG1 4Å; L1140-I1159 HydrophobicContact CD1-CG2 3.68Å; L1140-I1159 HydrophobicContact CG-CG2 3.93Å; L1143-I1159 HydrophobicContact CB-CD1 4.2Å; Q1144-I1159 HydrophobicContact CB-CG2 3.61Å; Q1144-I1159 HydrophobicContact CG-CG2 3.81Å; M1147-I1159 HydrophobicContact CG-CD1 3.83Å; W1155-I1159 WeakPolarHBondContact O-CB 3.45Å; W1155-I1159 VanDerWaalsContact O-CG1 3.23Å; W1155-I1159 WeakPolarHBondContact O-CG1 3.36Å; W1155-I1159 PolarHBondContact O-N 2.9Å; L1157-I1159 PolarHBondContact O-N 2.88Å; I1159-L1161 VanDerWaalsContact C-N 3.34Å; I1159-L1161 PolarHBondContact O-N 2.92Å; I1159-T1162 WeakPolarHBondContact CA-OG1 3.47Å; I1159-T1162 PolarHBondContact O-N 2.83Å; I1159-T1162 PolarHBondContact O-OG1 2.91Å; I1159-L1163 HydrophobicContact CG2-CD1 3.88Å; I1159-L1163 HydrophobicContact CG2-CG 4.46Å; I1159-L1163 WeakPolarHBondContact O-CB 3.41Å; I1159-L1163 WeakPolarHBondContact O-CG 3.48Å; I1159-L1163 PolarHBondContact O-N 3.1Å |
| 1160 | S | 92.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.5 | -36.2 | 177.7 | -57.1 | 0 | 0 | 0 | 0 | 112.3 | Q1144 L1156 L1157 L1158 A1164 D1165 | Q1144-S1160 PolarHBondContact NE2-OG 3.31Å; L1156-S1160 VanDerWaalsContact O-CB 3.28Å; L1156-S1160 WeakPolarHBondContact O-CB 3.35Å; L1156-S1160 PolarHBondContact O-N 2.67Å; L1156-S1160 VanDerWaalsContact O-N 3.09Å; L1156-S1160 PolarHBondContact O-OG 2.7Å; L1157-S1160 PolarHBondContact O-N 2.99Å; L1158-S1160 VanDerWaalsContact C-N 3.33Å; L1158-S1160 PolarHBondContact O-N 3.02Å; S1160-A1164 PolarHBondContact O-N 2.99Å; S1160-D1165 VanDerWaalsContact CB-O 3.32Å; S1160-D1165 WeakPolarHBondContact CB-O 3.42Å; S1160-D1165 PolarHBondContact O-N 2.97Å |
| 1161 | L | 91.2 | Very high | 89.5 | Confident | 2 Ų | 2 | 21.2 Ų | 21.2 | 1% | 0.01 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.9 | -44.5 | 172.1 | -71.8 | 170.4 | 0 | 0 | 0 | 111.7 | L1072 L1157 L1158 I1159 L1163 A1164 L1197 L1208 L1211 I1212 | L1072-L1161 HydrophobicContact CD1-CB 3.97Å; L1157-L1161 HydrophobicContact CD1-CD1 4.1Å; L1157-L1161 HydrophobicContact CD1-CG 4.21Å; L1157-L1161 HydrophobicContact CG-CD1 4.29Å; L1157-L1161 WeakPolarHBondContact O-CG 3.26Å; L1157-L1161 PolarHBondContact O-N 3.07Å; L1158-L1161 PolarHBondContact O-N 2.8Å; I1159-L1161 VanDerWaalsContact C-N 3.34Å; I1159-L1161 PolarHBondContact O-N 2.92Å; L1161-L1163 PolarHBondContact O-N 2.76Å; L1161-A1164 PolarHBondContact O-N 3.31Å; L1161-A1164 VanDerWaalsContact O-N 3.09Å; L1161-L1197 HydrophobicContact CD1-CD1 3.95Å; L1161-L1208 HydrophobicContact CB-CD2 4.28Å; L1161-L1208 HydrophobicContact CD2-CD2 4.38Å; L1161-L1211 HydrophobicContact CD2-CB 4.04Å; L1161-I1212 HydrophobicContact CD2-CG1 4.07Å |
| 1162 | T | 90.1 | Very high | 89.5 | Confident | 9 Ų | 9 | 21 Ų | 21 | 6% | 0.055 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -67.8 | -31.8 | 177.7 | 47.6 | 0 | 0 | 0 | 0 | 114.3 | L1072 L1075 Q1076 L1158 I1159 A1164 | L1072-T1162 HydrophobicContact CD1-CG2 3.63Å; L1072-T1162 HydrophobicContact CG-CG2 4.43Å; L1075-T1162 HydrophobicContact CB-CG2 4.36Å; L1075-T1162 HydrophobicContact CD2-CG2 3.53Å; L1075-T1162 VanDerWaalsContact CD2-OG1 3.24Å; L1075-T1162 WeakPolarHBondContact CD2-OG1 3.36Å; Q1076-T1162 HydrophobicContact CG-CG2 3.6Å; L1158-T1162 PolarHBondContact O-N 2.8Å; L1158-T1162 PolarHBondContact O-OG1 2.92Å; I1159-T1162 WeakPolarHBondContact CA-OG1 3.47Å; I1159-T1162 PolarHBondContact O-N 2.83Å; I1159-T1162 PolarHBondContact O-OG1 2.91Å; T1162-A1164 PolarHBondContact O-N 3.04Å |
| 1163 | L | 88.4 | Confident | 89.2 | Confident | 12 Ų | 12 | 20.8 Ų | 20.8 | 6% | 0.063 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -7.8 | 172.1 | -71.9 | 170.8 | 0 | 0 | 0 | 113 | V1081 E1137 L1140 R1141 I1159 L1161 D1165 | V1081-L1163 HydrophobicContact CG2-CD2 4.49Å; E1137-L1163 HydrophobicContact CG-CD2 3.71Å; L1140-L1163 HydrophobicContact CD2-CD2 3.75Å; L1140-L1163 HydrophobicContact CD2-CG 3.87Å; L1140-L1163 HydrophobicContact CG-CD1 4.38Å; L1140-L1163 HydrophobicContact CG-CD2 4.12Å; L1140-L1163 HydrophobicContact CG-CG 4.14Å; R1141-L1163 HydrophobicContact CG-CD1 4.23Å; R1141-L1163 HydrophobicContact CG-CD2 4.23Å; I1159-L1163 HydrophobicContact CG2-CD1 3.88Å; I1159-L1163 HydrophobicContact CG2-CG 4.46Å; I1159-L1163 WeakPolarHBondContact O-CB 3.41Å; I1159-L1163 WeakPolarHBondContact O-CG 3.48Å; I1159-L1163 PolarHBondContact O-N 3.1Å; L1161-L1163 PolarHBondContact O-N 2.76Å; L1163-D1165 HydrophobicContact CB-CB 4.35Å; L1163-D1165 PolarHBondContact O-N 2.82Å |
| 1164 | A | 88.4 | Confident | 88.8 | Confident | 38 Ų | 38 | 26 Ų | 26 | 31% | 0.314 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 28.2 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | T1083 S1160 L1161 T1162 L1211 | T1083-A1164 HydrophobicContact CG2-CB 3.8Å; S1160-A1164 PolarHBondContact O-N 2.99Å; L1161-A1164 PolarHBondContact O-N 3.31Å; L1161-A1164 VanDerWaalsContact O-N 3.09Å; T1162-A1164 PolarHBondContact O-N 3.04Å; A1164-L1211 HydrophobicContact CB-CD1 3.79Å |
| 1165 | D | 87.6 | Confident | 88.2 | Confident | 39 Ų | 39 | 35 Ų | 35 | 21% | 0.209 | 18% | 0.178 | C | C | . | . | trans | -132 | 98.4 | -175.4 | -176.1 | -3.2 | 0 | 0 | 0 | 110.5 | R1141 S1160 L1163 T1167 | R1141-D1165 IonicContact NH1-OD2 2.76Å; R1141-D1165 PolarHBondContact NH1-OD2 3.41Å; S1160-D1165 VanDerWaalsContact CB-O 3.32Å; S1160-D1165 WeakPolarHBondContact CB-O 3.42Å; S1160-D1165 PolarHBondContact O-N 2.97Å; L1163-D1165 HydrophobicContact CB-CB 4.35Å; L1163-D1165 PolarHBondContact O-N 2.82Å; D1165-T1167 VanDerWaalsContact C-N 3.33Å; D1165-T1167 VanDerWaalsContact OD1-CB 3.29Å; D1165-T1167 WeakPolarHBondContact OD1-CB 3.1Å; D1165-T1167 VanDerWaalsContact OD1-CG2 3.29Å; D1165-T1167 WeakPolarHBondContact OD1-CG2 3.4Å; D1165-T1167 PolarHBondContact OD1-N 3.22Å; D1165-T1167 PolarHBondContact OD1-OG1 2.89Å | ||
| 1166 | L | 88.6 | Confident | 87.5 | Confident | 19 Ų | 19 | 38.1 Ų | 38.1 | 10% | 0.099 | 19% | 0.19 | C | C | . | . | trans | -84.1 | 1.4 | 178.1 | -77.4 | 166.2 | 0 | 0 | 0 | 113.9 | L1157 T1168 F1169 R1170 L1211 A1214 A1215 | L1157-L1166 HydrophobicContact CD1-CD2 4.38Å; L1166-T1168 PolarHBondContact O-N 3.32Å; L1166-F1169 HydrophobicContact CD2-CB 4.23Å; L1166-F1169 HydrophobicContact CD2-CD1 4.03Å; L1166-F1169 HydrophobicContact CD2-CG 4.43Å; L1166-F1169 PolarHBondContact O-N 2.86Å; L1166-R1170 VanDerWaalsContact O-CB 3.3Å; L1166-R1170 WeakPolarHBondContact O-CB 3.49Å; L1166-R1170 PolarHBondContact O-N 2.8Å; L1166-L1211 HydrophobicContact CD1-CB 4.4Å; L1166-L1211 HydrophobicContact CD1-CD2 3.81Å; L1166-L1211 WeakPolarHBondContact CD1-O 3.49Å; L1166-L1211 HydrophobicContact CG-CD2 4.28Å; L1166-A1214 HydrophobicContact CD1-CB 4.09Å; L1166-A1215 HydrophobicContact CD1-CB 4.27Å; L1166-A1215 HydrophobicContact CD2-CB 4.09Å | ||
| 1167 | T | 87.7 | Confident | 86.3 | Confident | 96 Ų | 96 | 39.5 Ų | 39.5 | 59% | 0.589 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -62.2 | -45.1 | -175.1 | 59.5 | 0 | 0 | 0 | 0 | 112 | D1165 R1170 S1171 | D1165-T1167 VanDerWaalsContact C-N 3.33Å; D1165-T1167 VanDerWaalsContact OD1-CB 3.29Å; D1165-T1167 WeakPolarHBondContact OD1-CB 3.1Å; D1165-T1167 VanDerWaalsContact OD1-CG2 3.29Å; D1165-T1167 WeakPolarHBondContact OD1-CG2 3.4Å; D1165-T1167 PolarHBondContact OD1-N 3.22Å; D1165-T1167 PolarHBondContact OD1-OG1 2.89Å; T1167-R1170 PolarHBondContact O-N 2.79Å; T1167-S1171 WeakPolarHBondContact O-CB 3.25Å; T1167-S1171 PolarHBondContact O-N 3.04Å |
| 1168 | T | 85.8 | Confident | 85.1 | Confident | 30 Ų | 30 | 43.2 Ų | 43.2 | 18% | 0.184 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.2 | -49.3 | 176.8 | -37.1 | 0 | 0 | 0 | 0 | 111.1 | Q1144 L1148 L1166 S1171 A1172 | Q1144-T1168 HydrophobicContact CG-CG2 4.31Å; Q1144-T1168 PolarHBondContact NE2-OG1 3.42Å; Q1144-T1168 PolarHBondContact OE1-OG1 2.61Å; L1148-T1168 HydrophobicContact CD2-CG2 4.19Å; L1166-T1168 PolarHBondContact O-N 3.32Å; T1168-S1171 PolarHBondContact O-N 2.99Å; T1168-S1171 PolarHBondContact O-OG 2.82Å; T1168-A1172 PolarHBondContact O-N 3.41Å |
| 1169 | F | 90.2 | Very high | 84 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.4 | -45.5 | 178 | -178.3 | -103.9 | 0 | 0 | 0 | 112.5 | L1156 L1157 L1166 S1171 A1172 V1173 M1190 L1219 | L1156-F1169 HydrophobicContact CD2-CD2 4.16Å; L1156-F1169 HydrophobicContact CG-CD2 4.16Å; L1157-F1169 HydrophobicContact CB-CD2 3.98Å; L1157-F1169 HydrophobicContact CB-CE2 3.64Å; L1157-F1169 HydrophobicContact CB-CZ 4.1Å; L1157-F1169 HydrophobicContact CD1-CD1 4.12Å; L1157-F1169 HydrophobicContact CD1-CD2 4.41Å; L1157-F1169 HydrophobicContact CD1-CE1 3.89Å; L1157-F1169 HydrophobicContact CD1-CE2 4.2Å; L1157-F1169 HydrophobicContact CD1-CG 4.37Å; L1157-F1169 HydrophobicContact CD1-CZ 3.93Å; L1157-F1169 HydrophobicContact CD2-CE2 4.49Å; L1157-F1169 HydrophobicContact CD2-CZ 4.16Å; L1157-F1169 HydrophobicContact CG-CE2 4.32Å; L1157-F1169 HydrophobicContact CG-CZ 4.29Å; L1166-F1169 HydrophobicContact CD2-CB 4.23Å; L1166-F1169 HydrophobicContact CD2-CD1 4.03Å; L1166-F1169 HydrophobicContact CD2-CG 4.43Å; L1166-F1169 PolarHBondContact O-N 2.86Å; F1169-S1171 VanDerWaalsContact C-N 3.33Å; F1169-S1171 PolarHBondContact O-N 3.5Å; F1169-A1172 WeakPolarHBondContact O-CB 3.36Å; F1169-A1172 PolarHBondContact O-N 2.85Å; F1169-A1172 VanDerWaalsContact O-N 3.11Å; F1169-V1173 HydrophobicContact CD1-CG2 4.2Å; F1169-V1173 HydrophobicContact CD2-CG2 4.44Å; F1169-V1173 HydrophobicContact CE1-CG2 3.73Å; F1169-V1173 HydrophobicContact CE2-CG2 4Å; F1169-V1173 HydrophobicContact CZ-CG2 3.62Å; F1169-V1173 WeakPolarHBondContact O-CG2 3.43Å; F1169-V1173 PolarHBondContact O-N 3.37Å; F1169-M1190 HydrophobicContact CE2-SD 3.87Å; F1169-M1190 HydrophobicContact CZ-SD 3.88Å; F1169-L1219 HydrophobicContact CZ-CD1 4.31Å; F1169-L1219 HydrophobicContact CZ-CD2 4.4Å; F1169-L1219 HydrophobicContact CZ-CG 4.47Å |
| 1170 | R | 87.5 | Confident | 82.6 | Confident | 115 Ų | 115 | 53.2 Ų | 53.2 | 43% | 0.434 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -56.6 | -46.2 | 174.8 | 176 | 167.3 | -160.7 | 157.5 | 16.6 | 111.7 | L1166 T1167 A1172 V1173 L1174 L1218 E1221 | L1166-R1170 VanDerWaalsContact O-CB 3.3Å; L1166-R1170 WeakPolarHBondContact O-CB 3.49Å; L1166-R1170 PolarHBondContact O-N 2.8Å; T1167-R1170 PolarHBondContact O-N 2.79Å; R1170-A1172 VanDerWaalsContact C-N 3.27Å; R1170-A1172 PolarHBondContact O-N 3.25Å; R1170-V1173 PolarHBondContact O-N 2.6Å; R1170-L1174 HydrophobicContact CG-CD1 3.86Å; R1170-L1174 WeakPolarHBondContact O-CB 3.47Å; R1170-L1174 WeakPolarHBondContact O-CG 3.33Å; R1170-L1174 PolarHBondContact O-N 3.04Å; R1170-L1174 VanDerWaalsContact O-N 3.08Å; R1170-L1218 HydrophobicContact CB-CD1 3.88Å; R1170-L1218 HydrophobicContact CB-CD2 4.18Å; R1170-L1218 HydrophobicContact CG-CD1 4.17Å; R1170-L1218 HydrophobicContact CG-CD2 3.62Å; R1170-E1221 IonicContact NH2-OE2 2.72Å |
| 1171 | S | 84.8 | Confident | 81.3 | Confident | 61 Ų | 61 | 57.4 Ų | 57.4 | 43% | 0.427 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.1 | -32.3 | 178.4 | 76.6 | 0 | 0 | 0 | 0 | 112.5 | T1167 T1168 F1169 R1175 | T1167-S1171 WeakPolarHBondContact O-CB 3.25Å; T1167-S1171 PolarHBondContact O-N 3.04Å; T1168-S1171 PolarHBondContact O-N 2.99Å; T1168-S1171 PolarHBondContact O-OG 2.82Å; F1169-S1171 VanDerWaalsContact C-N 3.33Å; F1169-S1171 PolarHBondContact O-N 3.5Å; S1171-R1175 WeakPolarHBondContact O-CB 3.46Å; S1171-R1175 PolarHBondContact O-N 2.97Å |
| 1172 | A | 84.5 | Confident | 80.6 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.008 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -70.9 | -49.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1148 F1153 L1156 T1168 F1169 R1170 L1174 R1175 Y1176 | L1148-A1172 HydrophobicContact CD1-CB 3.39Å; F1153-A1172 HydrophobicContact CE1-CB 4.14Å; L1156-A1172 HydrophobicContact CD2-CB 3.54Å; T1168-A1172 PolarHBondContact O-N 3.41Å; F1169-A1172 WeakPolarHBondContact O-CB 3.36Å; F1169-A1172 PolarHBondContact O-N 2.85Å; F1169-A1172 VanDerWaalsContact O-N 3.11Å; R1170-A1172 VanDerWaalsContact C-N 3.27Å; R1170-A1172 PolarHBondContact O-N 3.25Å; A1172-L1174 PolarHBondContact O-N 2.9Å; A1172-R1175 PolarHBondContact O-N 2.77Å; A1172-R1175 VanDerWaalsContact O-N 3.16Å; A1172-Y1176 WeakPolarHBondContact O-CD2 3.42Å; A1172-Y1176 PolarHBondContact O-N 2.98Å |
| 1173 | V | 83.6 | Confident | 79.8 | Confident | 1 Ų | 1 | 61.6 Ų | 61.6 | 1% | 0.006 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57.6 | -49.6 | 177.1 | 173.1 | 0 | 0 | 0 | 0 | 110.4 | F1169 R1170 R1175 G1177 L1219 E1222 | F1169-V1173 HydrophobicContact CD1-CG2 4.2Å; F1169-V1173 HydrophobicContact CD2-CG2 4.44Å; F1169-V1173 HydrophobicContact CE1-CG2 3.73Å; F1169-V1173 HydrophobicContact CE2-CG2 4Å; F1169-V1173 HydrophobicContact CZ-CG2 3.62Å; F1169-V1173 WeakPolarHBondContact O-CG2 3.43Å; F1169-V1173 PolarHBondContact O-N 3.37Å; R1170-V1173 PolarHBondContact O-N 2.6Å; V1173-R1175 PolarHBondContact O-N 3.34Å; V1173-G1177 WeakPolarHBondContact O-CA 3.4Å; V1173-G1177 PolarHBondContact O-N 3.22Å; V1173-L1219 HydrophobicContact CG1-CD2 4.36Å; V1173-L1219 HydrophobicContact CG2-CD2 4.21Å; V1173-E1222 HydrophobicContact CG1-CG 3.76Å |
| 1174 | L | 81.6 | Confident | 79.2 | Confident | 111 Ų | 111 | 69.2 Ų | 69.2 | 58% | 0.581 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -65.2 | -21.1 | 179 | -70.7 | 170.4 | 0 | 0 | 0 | 114.8 | R1170 A1172 | R1170-L1174 HydrophobicContact CG-CD1 3.86Å; R1170-L1174 WeakPolarHBondContact O-CB 3.47Å; R1170-L1174 WeakPolarHBondContact O-CG 3.33Å; R1170-L1174 PolarHBondContact O-N 3.04Å; R1170-L1174 VanDerWaalsContact O-N 3.08Å; A1172-L1174 PolarHBondContact O-N 2.9Å |
| 1175 | R | 78.9 | Confident | 78.9 | Confident | 200 Ų | 200 | 71 Ų | 71 | 76% | 0.755 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -99.3 | -27.9 | -176.4 | -166.5 | 178.4 | -167.2 | -167.1 | 2.7 | 113.3 | S1171 A1172 V1173 | S1171-R1175 WeakPolarHBondContact O-CB 3.46Å; S1171-R1175 PolarHBondContact O-N 2.97Å; A1172-R1175 PolarHBondContact O-N 2.77Å; A1172-R1175 VanDerWaalsContact O-N 3.16Å; V1173-R1175 PolarHBondContact O-N 3.34Å |
| 1176 | Y | 77.2 | Confident | 78.7 | Confident | 66 Ų | 66 | 70 Ų | 70 | 26% | 0.259 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -112 | -0.4 | -178.7 | -62.3 | -75.8 | 0 | 0 | 0 | 113.5 | L1148 F1153 A1172 G1178 S1179 L1182 | L1148-Y1176 HydrophobicContact CD1-CE2 4.26Å; F1153-Y1176 HydrophobicContact CE1-CD2 4.31Å; F1153-Y1176 HydrophobicContact CZ-CD2 4.19Å; F1153-Y1176 HydrophobicContact CZ-CG 4.16Å; A1172-Y1176 WeakPolarHBondContact O-CD2 3.42Å; A1172-Y1176 PolarHBondContact O-N 2.98Å; Y1176-G1178 PolarHBondContact O-N 2.82Å; Y1176-S1179 WeakPolarHBondContact O-CB 3.45Å; Y1176-S1179 PolarHBondContact O-N 2.96Å; Y1176-L1182 VanDerWaalsContact O-CB 3.26Å; Y1176-L1182 WeakPolarHBondContact O-CB 3.48Å |
| 1177 | G | 67.9 | Low | 78.5 | Confident | 29 Ų | 29 | 70.5 Ų | 70.5 | 30% | 0.299 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48 | 121.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V1173 S1179 E1222 | V1173-G1177 WeakPolarHBondContact O-CA 3.4Å; V1173-G1177 PolarHBondContact O-N 3.22Å; G1177-S1179 VanDerWaalsContact C-N 3.31Å; G1177-S1179 PolarHBondContact O-N 2.91Å; G1177-E1222 WeakPolarHBondContact CA-OE2 3.49Å |
| 1178 | G | 66 | Low | 78.5 | Confident | 78 Ų | 78 | 70.3 Ų | 70.3 | 80% | 0.804 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.4 | 8.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | Y1176 | Y1176-G1178 PolarHBondContact O-N 2.82Š|
| 1179 | S | 69.5 | Low | 78.6 | Confident | 46 Ų | 46 | 70.2 Ų | 70.2 | 32% | 0.322 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -86.1 | 162 | 175.3 | -170.2 | 0 | 0 | 0 | 0 | 112.9 | Y1176 G1177 Y1181 L1182 | Y1176-S1179 WeakPolarHBondContact O-CB 3.45Å; Y1176-S1179 PolarHBondContact O-N 2.96Å; G1177-S1179 VanDerWaalsContact C-N 3.31Å; G1177-S1179 PolarHBondContact O-N 2.91Å; S1179-Y1181 PolarHBondContact O-N 2.92Å; S1179-L1182 CarbonylContact O-C 2.97Å; S1179-L1182 PolarHBondContact O-N 3.19Å |
| 1180 | E | 63.9 | Low | 78.6 | Confident | 165 Ų | 165 | 70.2 Ų | 70.2 | 77% | 0.771 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -18.6 | 169.5 | -75.3 | -172.5 | 148.8 | 0 | 0 | 113.7 | ||
| 1181 | Y | 65.2 | Low | 78.7 | Confident | 88 Ų | 88 | 66.8 Ų | 66.8 | 35% | 0.345 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -29.1 | 177.9 | -68.5 | -101.1 | 0 | 0 | 0 | 112.6 | R1059 F1153 S1179 | R1059-Y1181 VanDerWaalsContact NH1-CE1 3.26Å; F1153-Y1181 VanDerWaalsContact CE2-O 3.27Å; F1153-Y1181 WeakPolarHBondContact CE2-O 3.41Å; S1179-Y1181 PolarHBondContact O-N 2.92Å |
| 1182 | L | 75 | Confident | 79 | Confident | 4 Ų | 4 | 67 Ų | 67 | 2% | 0.021 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -116.6 | 60.4 | -175.5 | -158.1 | 78.6 | 0 | 0 | 0 | 110.8 | F1153 Y1176 S1179 I1187 M1190 | F1153-L1182 HydrophobicContact CB-CD1 4.09Å; F1153-L1182 HydrophobicContact CD1-CD1 3.6Å; F1153-L1182 HydrophobicContact CD2-CD1 3.45Å; F1153-L1182 VanDerWaalsContact CD2-CD1 3.45Å; F1153-L1182 HydrophobicContact CE1-CD1 3.8Å; F1153-L1182 HydrophobicContact CE2-CB 4.46Å; F1153-L1182 HydrophobicContact CE2-CD1 3.69Å; F1153-L1182 HydrophobicContact CG-CD1 3.41Å; F1153-L1182 VanDerWaalsContact CG-CD1 3.41Å; F1153-L1182 HydrophobicContact CZ-CD1 3.85Å; Y1176-L1182 VanDerWaalsContact O-CB 3.26Å; Y1176-L1182 WeakPolarHBondContact O-CB 3.48Å; S1179-L1182 CarbonylContact O-C 2.97Å; S1179-L1182 PolarHBondContact O-N 3.19Å; L1182-I1187 HydrophobicContact CD2-CD1 3.99Å; L1182-I1187 HydrophobicContact CD2-CG1 4.15Å; L1182-I1187 HydrophobicContact CG-CD1 4.12Å; L1182-I1187 HydrophobicContact CG-CG1 3.97Å; L1182-M1190 HydrophobicContact CD1-CE 4.06Å |
| 1183 | E | 74.2 | Confident | 79.2 | Confident | 94 Ų | 94 | 67.1 Ų | 67.1 | 44% | 0.439 | 36% | 0.355 | S | S | . | . | trans | -56.5 | 151.5 | 177.6 | -72.5 | -169.2 | 166.7 | 0 | 0 | 112.4 | T1185 V1186 I1187 | E1183-T1185 WeakPolarHBondContact CB-OG1 3.39Å; E1183-T1185 PolarHBondContact O-N 2.85Å; E1183-T1185 PolarHBondContact OE2-OG1 2.96Å; E1183-V1186 HydrophobicContact CB-CG2 4.4Å; E1183-V1186 PolarHBondContact O-N 2.81Å; E1183-I1187 PolarHBondContact O-N 3.45Å | ||
| 1184 | K | 75.4 | Confident | 79.5 | Confident | 172 Ų | 172 | 67 Ų | 67 | 75% | 0.748 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -51.1 | -30 | 172.5 | -82.9 | -173.9 | 172.3 | -179.2 | 0 | 113.6 | T1188 | K1184-T1188 PolarHBondContact O-N 2.71Å; K1184-T1188 PolarHBondContact O-OG1 3.22Å |
| 1185 | T | 81.7 | Confident | 79.9 | Confident | 76 Ų | 76 | 66.3 Ų | 66.3 | 47% | 0.466 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.3 | -35.7 | 176.8 | 51.7 | 0 | 0 | 0 | 0 | 113 | E1183 T1188 N1189 | E1183-T1185 WeakPolarHBondContact CB-OG1 3.39Å; E1183-T1185 PolarHBondContact O-N 2.85Å; E1183-T1185 PolarHBondContact OE2-OG1 2.96Å; T1185-T1188 PolarHBondContact O-OG1 2.88Å; T1185-N1189 WeakPolarHBondContact O-CB 3.44Å; T1185-N1189 PolarHBondContact O-N 2.88Å |
| 1186 | V | 84.2 | Confident | 80.5 | Confident | 17 Ų | 17 | 60.4 Ų | 60.4 | 10% | 0.103 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -77.2 | -41.1 | 176.3 | -173.6 | 0 | 0 | 0 | 0 | 109.7 | F1153 E1183 T1188 N1189 M1190 | F1153-V1186 HydrophobicContact CB-CG1 4.14Å; E1183-V1186 HydrophobicContact CB-CG2 4.4Å; E1183-V1186 PolarHBondContact O-N 2.81Å; V1186-T1188 PolarHBondContact O-N 2.79Å; V1186-N1189 WeakPolarHBondContact O-CB 3.47Å; V1186-N1189 PolarHBondContact O-N 2.86Å; V1186-N1189 VanDerWaalsContact O-N 3.15Å; V1186-M1190 HydrophobicContact CG1-CE 4.32Å; V1186-M1190 PolarHBondContact O-N 2.86Å |
| 1187 | I | 84.7 | Confident | 81.1 | Confident | 31 Ų | 31 | 57.3 Ų | 57.3 | 16% | 0.159 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.7 | -44 | 176.3 | -61.4 | 174.3 | 0 | 0 | 0 | 111.3 | L1182 E1183 N1189 M1190 K1191 L1219 | L1182-I1187 HydrophobicContact CD2-CD1 3.99Å; L1182-I1187 HydrophobicContact CD2-CG1 4.15Å; L1182-I1187 HydrophobicContact CG-CD1 4.12Å; L1182-I1187 HydrophobicContact CG-CG1 3.97Å; E1183-I1187 PolarHBondContact O-N 3.45Å; I1187-N1189 VanDerWaalsContact C-N 3.33Å; I1187-N1189 PolarHBondContact O-N 3.38Å; I1187-M1190 HydrophobicContact CG1-CE 4.35Å; I1187-M1190 PolarHBondContact O-N 3.16Å; I1187-K1191 HydrophobicContact CG2-CD 4.48Å; I1187-K1191 WeakPolarHBondContact O-CG 3.5Å; I1187-K1191 PolarHBondContact O-N 2.85Å; I1187-L1219 HydrophobicContact CG2-CD2 4.5Å |
| 1188 | T | 86.1 | Confident | 82.1 | Confident | 92 Ų | 92 | 58.1 Ų | 58.1 | 56% | 0.564 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -66.8 | -32.9 | 174.3 | 42.1 | 0 | 0 | 0 | 0 | 112.8 | K1184 T1185 V1186 K1191 S1192 | K1184-T1188 PolarHBondContact O-N 2.71Å; K1184-T1188 PolarHBondContact O-OG1 3.22Å; T1185-T1188 PolarHBondContact O-OG1 2.88Å; V1186-T1188 PolarHBondContact O-N 2.79Å; T1188-K1191 PolarHBondContact O-N 3.38Å; T1188-S1192 WeakPolarHBondContact O-CB 3.3Å; T1188-S1192 PolarHBondContact O-N 3.09Å |
| 1189 | N | 89 | Confident | 83.2 | Confident | 27 Ų | 27 | 59.3 Ų | 59.3 | 14% | 0.144 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64 | -49.2 | 173.9 | -159.9 | 69.4 | 0 | 0 | 0 | 111.6 | K1064 V1065 D1154 T1185 V1186 I1187 K1191 S1192 G1193 | K1064-N1189 WeakPolarHBondContact CE-ND2 3.31Å; K1064-N1189 WeakPolarHBondContact CE-OD1 3.42Å; K1064-N1189 PolarHBondContact NZ-OD1 2.87Å; V1065-N1189 PolarHBondContact O-ND2 2.82Å; D1154-N1189 PolarHBondContact OD1-ND2 3.34Å; D1154-N1189 PolarHBondContact OD2-ND2 3.12Å; D1154-N1189 VanDerWaalsContact OD2-ND2 3.15Å; T1185-N1189 WeakPolarHBondContact O-CB 3.44Å; T1185-N1189 PolarHBondContact O-N 2.88Å; V1186-N1189 WeakPolarHBondContact O-CB 3.47Å; V1186-N1189 PolarHBondContact O-N 2.86Å; V1186-N1189 VanDerWaalsContact O-N 3.15Å; I1187-N1189 VanDerWaalsContact C-N 3.33Å; I1187-N1189 PolarHBondContact O-N 3.38Å; N1189-K1191 PolarHBondContact O-N 3.43Å; N1189-S1192 PolarHBondContact O-N 2.84Å; N1189-G1193 PolarHBondContact O-N 3.11Å |
| 1190 | M | 90.6 | Very high | 84.2 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.1 | -42.5 | 175.5 | -69.7 | -171.2 | -67.7 | 0 | 0 | 112.2 | Y1068 F1153 L1157 F1169 L1182 V1186 I1187 G1193 L1194 L1219 | Y1068-M1190 WeakPolarHBondContact OH-CA 3.47Å; Y1068-M1190 WeakPolarHBondContact OH-CG 3.23Å; F1153-M1190 HydrophobicContact CB-CE 4.26Å; F1153-M1190 HydrophobicContact CB-SD 3.85Å; L1157-M1190 HydrophobicContact CD2-CB 4.19Å; L1157-M1190 HydrophobicContact CD2-CG 4.22Å; L1157-M1190 HydrophobicContact CD2-SD 4.29Å; F1169-M1190 HydrophobicContact CE2-SD 3.87Å; F1169-M1190 HydrophobicContact CZ-SD 3.88Å; L1182-M1190 HydrophobicContact CD1-CE 4.06Å; V1186-M1190 HydrophobicContact CG1-CE 4.32Å; V1186-M1190 PolarHBondContact O-N 2.86Å; I1187-M1190 HydrophobicContact CG1-CE 4.35Å; I1187-M1190 PolarHBondContact O-N 3.16Å; M1190-G1193 PolarHBondContact O-N 3.25Å; M1190-L1194 WeakPolarHBondContact O-CB 3.31Å; M1190-L1194 WeakPolarHBondContact O-CG 3.2Å; M1190-L1194 PolarHBondContact O-N 2.98Å; M1190-L1219 HydrophobicContact CB-CD1 3.95Å; M1190-L1219 HydrophobicContact CE-CD2 3.77Å |
| 1191 | K | 88.9 | Confident | 85.2 | Confident | 44 Ų | 44 | 51.1 Ų | 51.1 | 19% | 0.191 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.2 | -39.6 | 176 | -75.2 | -172 | 179.4 | -171.6 | 0 | 112.9 | I1187 T1188 N1189 N1195 L1219 D1220 | I1187-K1191 HydrophobicContact CG2-CD 4.48Å; I1187-K1191 WeakPolarHBondContact O-CG 3.5Å; I1187-K1191 PolarHBondContact O-N 2.85Å; T1188-K1191 PolarHBondContact O-N 3.38Å; N1189-K1191 PolarHBondContact O-N 3.43Å; K1191-N1195 PolarHBondContact O-N 3Å; K1191-N1195 VanDerWaalsContact O-N 3.09Å; K1191-N1195 PolarHBondContact O-ND2 3.48Å; K1191-L1219 WeakPolarHBondContact CE-O 3.37Å; K1191-L1219 HydrophobicContact CG-CB 4.37Å; K1191-L1219 PolarHBondContact NZ-O 2.94Å; K1191-D1220 WeakPolarHBondContact CE-OD1 3.49Å; K1191-D1220 IonicContact NZ-OD1 3.32Å; K1191-D1220 PolarHBondContact NZ-OD1 2.98Å |
| 1192 | S | 90.3 | Very high | 86.2 | Confident | 66 Ų | 66 | 50.5 Ų | 50.5 | 46% | 0.462 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.2 | -48.1 | 172.8 | -165.5 | 0 | 0 | 0 | 0 | 111 | T1188 N1189 L1194 N1195 D1196 | T1188-S1192 WeakPolarHBondContact O-CB 3.3Å; T1188-S1192 PolarHBondContact O-N 3.09Å; N1189-S1192 PolarHBondContact O-N 2.84Å; S1192-L1194 VanDerWaalsContact C-N 3.35Å; S1192-L1194 PolarHBondContact O-N 3.31Å; S1192-N1195 PolarHBondContact O-N 3.16Å; S1192-D1196 PolarHBondContact O-N 2.97Å |
| 1193 | G | 89.6 | Confident | 86.6 | Confident | 2 Ų | 2 | 58.7 Ų | 58.7 | 2% | 0.021 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.9 | -36.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y1068 N1189 M1190 D1196 L1197 | Y1068-G1193 VanDerWaalsContact CD2-CA 3.47Å; Y1068-G1193 VanDerWaalsContact CG-CA 3.43Å; N1189-G1193 PolarHBondContact O-N 3.11Å; M1190-G1193 PolarHBondContact O-N 3.25Å; G1193-D1196 PolarHBondContact O-N 3.41Å; G1193-L1197 WeakPolarHBondContact O-CB 3.4Å; G1193-L1197 WeakPolarHBondContact O-CG 3.41Å; G1193-L1197 PolarHBondContact O-N 2.87Å |
| 1194 | L | 90.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -70.1 | -37.6 | 174.1 | -75.7 | 165.8 | 0 | 0 | 0 | 112.6 | L1157 M1190 S1192 L1197 L1198 I1212 A1215 V1216 L1219 | L1157-L1194 HydrophobicContact CD1-CD2 4.41Å; L1157-L1194 HydrophobicContact CD2-CD1 3.95Å; L1157-L1194 HydrophobicContact CD2-CD2 4.09Å; L1157-L1194 HydrophobicContact CD2-CG 3.94Å; M1190-L1194 WeakPolarHBondContact O-CB 3.31Å; M1190-L1194 WeakPolarHBondContact O-CG 3.2Å; M1190-L1194 PolarHBondContact O-N 2.98Å; S1192-L1194 VanDerWaalsContact C-N 3.35Å; S1192-L1194 PolarHBondContact O-N 3.31Å; L1194-L1197 CarbonylContact O-C 3.57Å; L1194-L1197 PolarHBondContact O-N 2.82Å; L1194-L1198 WeakPolarHBondContact O-CG 3.35Å; L1194-L1198 PolarHBondContact O-N 2.97Å; L1194-I1212 HydrophobicContact CD2-CG2 3.88Å; L1194-A1215 HydrophobicContact CD1-CB 4.27Å; L1194-A1215 HydrophobicContact CD2-CB 3.97Å; L1194-V1216 HydrophobicContact CB-CG2 3.68Å; L1194-V1216 HydrophobicContact CD1-CG2 3.98Å; L1194-V1216 HydrophobicContact CD2-CG2 4.46Å; L1194-V1216 HydrophobicContact CG-CG2 4.26Å; L1194-L1219 HydrophobicContact CD1-CD1 3.5Å; L1194-L1219 VanDerWaalsContact CD1-CD1 3.5Å |
| 1195 | N | 90.4 | Very high | 87.3 | Confident | 95 Ų | 95 | 50.2 Ų | 50.2 | 51% | 0.508 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.2 | -42.7 | 171.7 | -80.2 | -33.3 | 0 | 0 | 0 | 111.6 | K1191 S1192 L1197 L1198 V1199 | K1191-N1195 PolarHBondContact O-N 3Å; K1191-N1195 VanDerWaalsContact O-N 3.09Å; K1191-N1195 PolarHBondContact O-ND2 3.48Å; S1192-N1195 PolarHBondContact O-N 3.16Å; N1195-L1197 VanDerWaalsContact C-N 3.3Å; N1195-L1197 PolarHBondContact O-N 2.71Å; N1195-L1198 PolarHBondContact O-N 2.67Å; N1195-V1199 PolarHBondContact O-N 2.9Å; N1195-V1199 VanDerWaalsContact O-N 3.17Å |
| 1196 | D | 91.1 | Very high | 87.3 | Confident | 77 Ų | 77 | 50.9 Ų | 50.9 | 41% | 0.412 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61 | -40 | 173.8 | -69.4 | -25 | 0 | 0 | 0 | 111.5 | P1069 S1192 G1193 V1199 W1200 | P1069-D1196 HydrophobicContact CG-CB 4.17Å; S1192-D1196 PolarHBondContact O-N 2.97Å; G1193-D1196 PolarHBondContact O-N 3.41Å; D1196-V1199 PolarHBondContact O-N 3.06Å; D1196-W1200 WeakPolarHBondContact O-CB 3.23Å; D1196-W1200 PolarHBondContact O-N 3.27Å |
| 1197 | L | 89.8 | Confident | 87.2 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67.1 | -36.1 | 174.4 | -77.8 | 171.7 | 0 | 0 | 0 | 113.1 | Y1068 P1069 L1072 L1158 L1161 G1193 L1194 N1195 V1199 W1200 A1201 I1212 | Y1068-L1197 HydrophobicContact CD1-CD1 3.88Å; Y1068-L1197 HydrophobicContact CG-CD1 4.49Å; P1069-L1197 HydrophobicContact CB-CD2 4.44Å; P1069-L1197 HydrophobicContact CG-CD2 4.24Å; L1072-L1197 HydrophobicContact CB-CD2 4.34Å; L1072-L1197 HydrophobicContact CD2-CD1 4.49Å; L1072-L1197 HydrophobicContact CD2-CD2 3.7Å; L1158-L1197 HydrophobicContact CD2-CD1 4.41Å; L1161-L1197 HydrophobicContact CD1-CD1 3.95Å; G1193-L1197 WeakPolarHBondContact O-CB 3.4Å; G1193-L1197 WeakPolarHBondContact O-CG 3.41Å; G1193-L1197 PolarHBondContact O-N 2.87Å; L1194-L1197 CarbonylContact O-C 3.57Å; L1194-L1197 PolarHBondContact O-N 2.82Å; N1195-L1197 VanDerWaalsContact C-N 3.3Å; N1195-L1197 PolarHBondContact O-N 2.71Å; L1197-V1199 VanDerWaalsContact C-N 3.28Å; L1197-V1199 PolarHBondContact O-N 3.5Å; L1197-W1200 HydrophobicContact CD2-CE3 3.75Å; L1197-W1200 HydrophobicContact CD2-CZ3 4.1Å; L1197-W1200 PolarHBondContact O-N 2.75Å; L1197-A1201 WeakPolarHBondContact O-CB 3.4Å; L1197-A1201 PolarHBondContact O-N 3.47Å; L1197-I1212 HydrophobicContact CB-CD1 4.1Å; L1197-I1212 HydrophobicContact CB-CG2 4.2Å |
| 1198 | L | 88.1 | Confident | 87.2 | Confident | 46 Ų | 46 | 51.8 Ų | 51.8 | 24% | 0.241 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.6 | -31.4 | 174 | -79.9 | 171.5 | 0 | 0 | 0 | 112.6 | L1194 N1195 P1202 I1212 D1213 V1216 | L1194-L1198 WeakPolarHBondContact O-CG 3.35Å; L1194-L1198 PolarHBondContact O-N 2.97Å; N1195-L1198 PolarHBondContact O-N 2.67Å; L1198-P1202 WeakPolarHBondContact O-CD 3.28Å; L1198-P1202 WeakPolarHBondContact O-CG 3.47Å; L1198-I1212 HydrophobicContact CD2-CB 4.36Å; L1198-I1212 HydrophobicContact CD2-CG2 3.75Å; L1198-I1212 HydrophobicContact CG-CG2 3.68Å; L1198-D1213 WeakPolarHBondContact CD2-OD1 3.36Å; L1198-V1216 HydrophobicContact CD1-CG2 4.12Å |
| 1199 | V | 88.6 | Confident | 87.2 | Confident | 104 Ų | 104 | 49 Ų | 49 | 63% | 0.63 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -78.3 | -31.7 | 174.7 | 176.9 | 0 | 0 | 0 | 0 | 112.1 | N1195 D1196 L1197 | N1195-V1199 PolarHBondContact O-N 2.9Å; N1195-V1199 VanDerWaalsContact O-N 3.17Å; D1196-V1199 PolarHBondContact O-N 3.06Å; L1197-V1199 VanDerWaalsContact C-N 3.28Å; L1197-V1199 PolarHBondContact O-N 3.5Å |
| 1200 | W | 91.4 | Very high | 87.1 | Confident | 39 Ų | 39 | 51.6 Ų | 51.6 | 15% | 0.148 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -85.4 | -47.1 | -177.8 | 171.7 | 90.3 | 0 | 0 | 0 | 113.8 | P1069 L1072 E1073 D1196 L1197 P1202 K1203 S1204 C1205 | P1069-W1200 HydrophobicContact CB-CB 4.11Å; P1069-W1200 HydrophobicContact CB-CD2 3.94Å; P1069-W1200 HydrophobicContact CB-CG 3.68Å; P1069-W1200 HydrophobicContact CG-CB 4.03Å; P1069-W1200 HydrophobicContact CG-CG 4.16Å; L1072-W1200 HydrophobicContact CD2-CH2 4.37Å; L1072-W1200 HydrophobicContact CD2-CZ3 3.92Å; E1073-W1200 HydrophobicContact CB-CZ2 4.13Å; E1073-W1200 HydrophobicContact CG-CZ2 4.49Å; D1196-W1200 WeakPolarHBondContact O-CB 3.23Å; D1196-W1200 PolarHBondContact O-N 3.27Å; L1197-W1200 HydrophobicContact CD2-CE3 3.75Å; L1197-W1200 HydrophobicContact CD2-CZ3 4.1Å; L1197-W1200 PolarHBondContact O-N 2.75Å; W1200-P1202 VanDerWaalsContact C-CD 3.46Å; W1200-K1203 WeakPolarHBondContact O-CB 3.42Å; W1200-K1203 PolarHBondContact O-N 3.31Å; W1200-S1204 PolarHBondContact NE1-OG 3.23Å; W1200-S1204 PolarHBondContact O-N 3.07Å; W1200-C1205 HydrophobicContact CH2-CB 4.25Å; W1200-C1205 HydrophobicContact CZ3-CB 4.28Å |
| 1201 | A | 85.6 | Confident | 86.9 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57.5 | -38.9 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | L1197 K1203 S1204 C1205 P1206 V1209 I1212 | L1197-A1201 WeakPolarHBondContact O-CB 3.4Å; L1197-A1201 PolarHBondContact O-N 3.47Å; A1201-K1203 PolarHBondContact O-N 3.22Å; A1201-K1203 VanDerWaalsContact O-N 3.09Å; A1201-S1204 PolarHBondContact O-N 2.82Å; A1201-C1205 CarbonylContact O-C 3.49Å; A1201-C1205 WeakPolarHBondContact O-CA 3.39Å; A1201-C1205 PolarHBondContact O-N 2.96Å; A1201-P1206 VanDerWaalsContact O-N 3.12Å; A1201-V1209 HydrophobicContact CB-CG2 3.89Å; A1201-I1212 HydrophobicContact CB-CD1 3.47Å; A1201-I1212 VanDerWaalsContact CB-CD1 3.47Å |
| 1202 | P | 84.5 | Confident | 86.9 | Confident | 75 Ų | 75 | 51.1 Ų | 51.1 | 49% | 0.487 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.6 | -22.3 | 175.8 | -25.2 | 35.3 | 0 | 0 | 0 | 114.5 | L1198 W1200 V1209 | L1198-P1202 WeakPolarHBondContact O-CD 3.28Å; L1198-P1202 WeakPolarHBondContact O-CG 3.47Å; W1200-P1202 VanDerWaalsContact C-CD 3.46Å; P1202-V1209 HydrophobicContact CG-CG2 4.1Å |
| 1203 | K | 85.3 | Confident | 86.7 | Confident | 175 Ų | 175 | 51.6 Ų | 51.6 | 76% | 0.761 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -93.1 | -37.7 | -179.5 | -60 | -179.5 | -176.1 | 174.5 | 0 | 112.9 | W1200 A1201 | W1200-K1203 WeakPolarHBondContact O-CB 3.42Å; W1200-K1203 PolarHBondContact O-N 3.31Å; A1201-K1203 PolarHBondContact O-N 3.22Å; A1201-K1203 VanDerWaalsContact O-N 3.09Å |
| 1204 | S | 82.8 | Confident | 86.6 | Confident | 59 Ų | 59 | 53 Ų | 53 | 41% | 0.413 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -109.8 | -32.2 | -170 | -54.3 | 0 | 0 | 0 | 0 | 114.5 | W1200 A1201 | W1200-S1204 PolarHBondContact NE1-OG 3.23Å; W1200-S1204 PolarHBondContact O-N 3.07Å; A1201-S1204 PolarHBondContact O-N 2.82Å |
| 1205 | C | 81 | Confident | 86.5 | Confident | 30 Ų | 30 | 53 Ų | 53 | 20% | 0.203 | 31% | 0.305 | C | S | . | . | trans | -152.6 | 71.3 | -176.3 | -101.9 | 0 | 0 | 0 | 0 | 111 | W1200 A1201 S1207 L1208 | W1200-C1205 HydrophobicContact CH2-CB 4.25Å; W1200-C1205 HydrophobicContact CZ3-CB 4.28Å; A1201-C1205 CarbonylContact O-C 3.49Å; A1201-C1205 WeakPolarHBondContact O-CA 3.39Å; A1201-C1205 PolarHBondContact O-N 2.96Å; C1205-S1207 PolarHBondContact O-N 3.27Å; C1205-S1207 VanDerWaalsContact O-N 3.07Å; C1205-L1208 HydrophobicContact CB-CD1 4.04Å; C1205-L1208 PolarHBondContact O-N 3.31Å | ||
| 1206 | P | 81.8 | Confident | 86.3 | Confident | 89 Ų | 89 | 49.8 Ų | 49.8 | 58% | 0.578 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -63.6 | -18.8 | -172.8 | 23.5 | -34 | 0 | 0 | 0 | 114 | A1201 L1208 V1209 | A1201-P1206 VanDerWaalsContact O-N 3.12Å; P1206-L1208 VanDerWaalsContact C-N 3.26Å; P1206-L1208 PolarHBondContact O-N 3.13Å; P1206-V1209 PolarHBondContact O-N 2.96Å |
| 1207 | S | 81.9 | Confident | 86 | Confident | 57 Ų | 57 | 52.3 Ų | 52.3 | 40% | 0.399 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -66.1 | -22.6 | 173.4 | 49.7 | 0 | 0 | 0 | 0 | 114.5 | C1205 P1210 | C1205-S1207 PolarHBondContact O-N 3.27Å; C1205-S1207 VanDerWaalsContact O-N 3.07Å; S1207-P1210 WeakPolarHBondContact O-CD 3.31Å |
| 1208 | L | 84.9 | Confident | 85.8 | Confident | 10 Ų | 10 | 53.1 Ų | 53.1 | 5% | 0.052 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -83.6 | -17.6 | -179.4 | -91 | 161.7 | 0 | 0 | 0 | 113.6 | L1072 L1161 C1205 P1206 P1210 L1211 I1212 | L1072-L1208 HydrophobicContact CD2-CD1 4.02Å; L1161-L1208 HydrophobicContact CB-CD2 4.28Å; L1161-L1208 HydrophobicContact CD2-CD2 4.38Å; C1205-L1208 HydrophobicContact CB-CD1 4.04Å; C1205-L1208 PolarHBondContact O-N 3.31Å; P1206-L1208 VanDerWaalsContact C-N 3.26Å; P1206-L1208 PolarHBondContact O-N 3.13Å; L1208-P1210 VanDerWaalsContact C-CD 3.49Å; L1208-L1211 HydrophobicContact CD2-CB 4.49Å; L1208-L1211 HydrophobicContact CD2-CD1 4.13Å; L1208-L1211 WeakPolarHBondContact O-CB 3.18Å; L1208-L1211 PolarHBondContact O-N 3.13Å; L1208-I1212 HydrophobicContact CB-CD1 3.97Å; L1208-I1212 WeakPolarHBondContact O-CG1 3.19Å; L1208-I1212 PolarHBondContact O-N 3.27Å |
| 1209 | V | 86.5 | Confident | 85.4 | Confident | 34 Ų | 34 | 51 Ų | 51 | 21% | 0.206 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -52.4 | -46.5 | -175.7 | -179.7 | 0 | 0 | 0 | 0 | 113 | A1201 P1202 P1206 L1211 I1212 D1213 | A1201-V1209 HydrophobicContact CB-CG2 3.89Å; P1202-V1209 HydrophobicContact CG-CG2 4.1Å; P1206-V1209 PolarHBondContact O-N 2.96Å; V1209-L1211 VanDerWaalsContact C-N 3.29Å; V1209-L1211 PolarHBondContact O-N 2.93Å; V1209-I1212 PolarHBondContact O-N 2.81Å; V1209-D1213 PolarHBondContact O-N 3.48Å |
| 1210 | P | 86.4 | Confident | 84.9 | Confident | 81 Ų | 81 | 49.3 Ų | 49.3 | 53% | 0.526 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.8 | -30 | 179.7 | -20.1 | 33.4 | 0 | 0 | 0 | 114.1 | S1207 L1208 A1214 | S1207-P1210 WeakPolarHBondContact O-CD 3.31Å; L1208-P1210 VanDerWaalsContact C-CD 3.49Å; P1210-A1214 WeakPolarHBondContact O-CB 3.21Å; P1210-A1214 PolarHBondContact O-N 3.08Å |
| 1211 | L | 85.9 | Confident | 83.8 | Confident | 35 Ų | 35 | 52.8 Ų | 52.8 | 18% | 0.183 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -75.6 | -38.2 | 175.8 | -77.6 | 160.7 | 0 | 0 | 0 | 111.1 | L1161 A1164 L1166 L1208 V1209 A1214 A1215 | L1161-L1211 HydrophobicContact CD2-CB 4.04Å; A1164-L1211 HydrophobicContact CB-CD1 3.79Å; L1166-L1211 HydrophobicContact CD1-CB 4.4Å; L1166-L1211 HydrophobicContact CD1-CD2 3.81Å; L1166-L1211 WeakPolarHBondContact CD1-O 3.49Å; L1166-L1211 HydrophobicContact CG-CD2 4.28Å; L1208-L1211 HydrophobicContact CD2-CB 4.49Å; L1208-L1211 HydrophobicContact CD2-CD1 4.13Å; L1208-L1211 WeakPolarHBondContact O-CB 3.18Å; L1208-L1211 PolarHBondContact O-N 3.13Å; V1209-L1211 VanDerWaalsContact C-N 3.29Å; V1209-L1211 PolarHBondContact O-N 2.93Å; L1211-A1214 PolarHBondContact O-N 3.22Å; L1211-A1215 PolarHBondContact O-N 3.29Å |
| 1212 | I | 88.3 | Confident | 82.5 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.9 | -46.2 | 176.2 | -63.4 | 160.9 | 0 | 0 | 0 | 110 | L1161 L1194 L1197 L1198 A1201 L1208 V1209 A1214 A1215 V1216 | L1161-I1212 HydrophobicContact CD2-CG1 4.07Å; L1194-I1212 HydrophobicContact CD2-CG2 3.88Å; L1197-I1212 HydrophobicContact CB-CD1 4.1Å; L1197-I1212 HydrophobicContact CB-CG2 4.2Å; L1198-I1212 HydrophobicContact CD2-CB 4.36Å; L1198-I1212 HydrophobicContact CD2-CG2 3.75Å; L1198-I1212 HydrophobicContact CG-CG2 3.68Å; A1201-I1212 HydrophobicContact CB-CD1 3.47Å; A1201-I1212 VanDerWaalsContact CB-CD1 3.47Å; L1208-I1212 HydrophobicContact CB-CD1 3.97Å; L1208-I1212 WeakPolarHBondContact O-CG1 3.19Å; L1208-I1212 PolarHBondContact O-N 3.27Å; V1209-I1212 PolarHBondContact O-N 2.81Å; I1212-A1214 VanDerWaalsContact C-N 3.33Å; I1212-A1214 PolarHBondContact O-N 3.41Å; I1212-A1215 WeakPolarHBondContact O-CB 3.4Å; I1212-A1215 PolarHBondContact O-N 3.27Å; I1212-A1215 VanDerWaalsContact O-N 3.13Å; I1212-V1216 WeakPolarHBondContact O-CG2 3.37Å; I1212-V1216 PolarHBondContact O-N 3.28Å |
| 1213 | D | 87.2 | Confident | 80.9 | Confident | 75 Ų | 75 | 58 Ų | 58 | 40% | 0.401 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -58.2 | -42.6 | 174 | -80.8 | -33.4 | 0 | 0 | 0 | 112.2 | L1198 V1209 A1215 V1216 H1217 | L1198-D1213 WeakPolarHBondContact CD2-OD1 3.36Å; V1209-D1213 PolarHBondContact O-N 3.48Å; D1213-A1215 VanDerWaalsContact C-N 3.31Å; D1213-A1215 PolarHBondContact O-N 2.89Å; D1213-V1216 PolarHBondContact O-N 3.5Å; D1213-H1217 PolarHBondContact O-N 3.49Å |
| 1214 | A | 87.4 | Confident | 79 | Confident | 31 Ų | 31 | 55.8 Ų | 55.8 | 26% | 0.256 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.7 | -35.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1166 P1210 L1211 I1212 L1218 | L1166-A1214 HydrophobicContact CD1-CB 4.09Å; P1210-A1214 WeakPolarHBondContact O-CB 3.21Å; P1210-A1214 PolarHBondContact O-N 3.08Å; L1211-A1214 PolarHBondContact O-N 3.22Å; I1212-A1214 VanDerWaalsContact C-N 3.33Å; I1212-A1214 PolarHBondContact O-N 3.41Å; A1214-L1218 WeakPolarHBondContact O-CG 3.26Å; A1214-L1218 PolarHBondContact O-N 3.19Å |
| 1215 | A | 87.7 | Confident | 77 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -71.9 | -35.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1157 L1166 L1194 L1211 I1212 D1213 L1218 L1219 | L1157-A1215 HydrophobicContact CD1-CB 3.95Å; L1166-A1215 HydrophobicContact CD1-CB 4.27Å; L1166-A1215 HydrophobicContact CD2-CB 4.09Å; L1194-A1215 HydrophobicContact CD1-CB 4.27Å; L1194-A1215 HydrophobicContact CD2-CB 3.97Å; L1211-A1215 PolarHBondContact O-N 3.29Å; I1212-A1215 WeakPolarHBondContact O-CB 3.4Å; I1212-A1215 PolarHBondContact O-N 3.27Å; I1212-A1215 VanDerWaalsContact O-N 3.13Å; D1213-A1215 VanDerWaalsContact C-N 3.31Å; D1213-A1215 PolarHBondContact O-N 2.89Å; A1215-L1218 PolarHBondContact O-N 3.32Å; A1215-L1219 PolarHBondContact O-N 3.44Å |
| 1216 | V | 86.7 | Confident | 74.8 | Confident | 29 Ų | 29 | 59 Ų | 59 | 18% | 0.176 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63 | -51.5 | 172.5 | 171.8 | 0 | 0 | 0 | 0 | 110.4 | L1194 L1198 I1212 D1213 L1218 L1219 D1220 | L1194-V1216 HydrophobicContact CB-CG2 3.68Å; L1194-V1216 HydrophobicContact CD1-CG2 3.98Å; L1194-V1216 HydrophobicContact CD2-CG2 4.46Å; L1194-V1216 HydrophobicContact CG-CG2 4.26Å; L1198-V1216 HydrophobicContact CD1-CG2 4.12Å; I1212-V1216 WeakPolarHBondContact O-CG2 3.37Å; I1212-V1216 PolarHBondContact O-N 3.28Å; D1213-V1216 PolarHBondContact O-N 3.5Å; V1216-L1218 VanDerWaalsContact C-N 3.26Å; V1216-L1218 PolarHBondContact O-N 2.9Å; V1216-L1219 PolarHBondContact O-N 3.13Å; V1216-D1220 PolarHBondContact O-N 3.21Å; V1216-D1220 VanDerWaalsContact O-N 3.12Å |
| 1217 | H | 85.1 | Confident | 72.3 | Confident | 130 Ų | 130 | 60 Ų | 60 | 60% | 0.602 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -55.1 | -41.3 | 177.8 | -100.9 | -69.3 | 0 | 0 | 0 | 112.6 | D1213 L1219 D1220 E1221 | D1213-H1217 PolarHBondContact O-N 3.49Å; H1217-L1219 VanDerWaalsContact C-N 3.3Å; H1217-L1219 PolarHBondContact O-N 3.15Å; H1217-D1220 PolarHBondContact O-N 3.41Å; H1217-D1220 VanDerWaalsContact O-N 3.15Å; H1217-E1221 PolarHBondContact O-N 3.43Å |
| 1218 | L | 84.4 | Confident | 69.7 | Low | 16 Ų | 16 | 62.5 Ų | 62.5 | 8% | 0.084 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.5 | -34.9 | 176.6 | -89 | 166.2 | 0 | 0 | 0 | 114.1 | R1170 A1214 A1215 V1216 | R1170-L1218 HydrophobicContact CB-CD1 3.88Å; R1170-L1218 HydrophobicContact CB-CD2 4.18Å; R1170-L1218 HydrophobicContact CG-CD1 4.17Å; R1170-L1218 HydrophobicContact CG-CD2 3.62Å; A1214-L1218 WeakPolarHBondContact O-CG 3.26Å; A1214-L1218 PolarHBondContact O-N 3.19Å; A1215-L1218 PolarHBondContact O-N 3.32Å; V1216-L1218 VanDerWaalsContact C-N 3.26Å; V1216-L1218 PolarHBondContact O-N 2.9Å |
| 1219 | L | 80.9 | Confident | 66.9 | Low | 3 Ų | 3 | 69.1 Ų | 69.1 | 2% | 0.016 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -84.7 | -12.6 | 177.7 | -71.9 | 165.6 | 0 | 0 | 0 | 113.1 | F1169 V1173 I1187 M1190 K1191 L1194 A1215 V1216 H1217 | F1169-L1219 HydrophobicContact CZ-CD1 4.31Å; F1169-L1219 HydrophobicContact CZ-CD2 4.4Å; F1169-L1219 HydrophobicContact CZ-CG 4.47Å; V1173-L1219 HydrophobicContact CG1-CD2 4.36Å; V1173-L1219 HydrophobicContact CG2-CD2 4.21Å; I1187-L1219 HydrophobicContact CG2-CD2 4.5Å; M1190-L1219 HydrophobicContact CB-CD1 3.95Å; M1190-L1219 HydrophobicContact CE-CD2 3.77Å; K1191-L1219 WeakPolarHBondContact CE-O 3.37Å; K1191-L1219 HydrophobicContact CG-CB 4.37Å; K1191-L1219 PolarHBondContact NZ-O 2.94Å; L1194-L1219 HydrophobicContact CD1-CD1 3.5Å; L1194-L1219 VanDerWaalsContact CD1-CD1 3.5Å; A1215-L1219 PolarHBondContact O-N 3.44Å; V1216-L1219 PolarHBondContact O-N 3.13Å; H1217-L1219 VanDerWaalsContact C-N 3.3Å; H1217-L1219 PolarHBondContact O-N 3.15Å |
| 1220 | D | 77.3 | Confident | 64.3 | Low | 67 Ų | 67 | 75.6 Ų | 75.6 | 36% | 0.358 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -90.9 | -33.3 | 173.3 | -78.4 | -31.1 | 0 | 0 | 0 | 113 | K1191 V1216 H1217 E1222 N1223 | K1191-D1220 WeakPolarHBondContact CE-OD1 3.49Å; K1191-D1220 IonicContact NZ-OD1 3.32Å; K1191-D1220 PolarHBondContact NZ-OD1 2.98Å; V1216-D1220 PolarHBondContact O-N 3.21Å; V1216-D1220 VanDerWaalsContact O-N 3.12Å; H1217-D1220 PolarHBondContact O-N 3.41Å; H1217-D1220 VanDerWaalsContact O-N 3.15Å; D1220-E1222 PolarHBondContact O-N 2.88Å; D1220-N1223 PolarHBondContact O-N 3.12Å |
| 1221 | E | 68.6 | Low | 61.4 | Low | 113 Ų | 113 | 74.5 Ų | 74.5 | 53% | 0.528 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -58.5 | -44.3 | 176 | -76.6 | -174.1 | 159.3 | 0 | 0 | 112.4 | R1170 H1217 N1223 N1224 G1225 | R1170-E1221 IonicContact NH2-OE2 2.72Å; H1217-E1221 PolarHBondContact O-N 3.43Å; E1221-N1223 VanDerWaalsContact C-N 3.28Å; E1221-N1223 PolarHBondContact O-N 2.59Å; E1221-N1224 PolarHBondContact O-N 3.02Å; E1221-G1225 PolarHBondContact O-N 3.24Å |
| 1222 | E | 58.3 | Low | 58.6 | Low | 68 Ų | 68 | 81.4 Ų | 81.4 | 32% | 0.318 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -52.4 | -42.3 | 175.4 | -95.3 | -97.5 | 118.5 | 0 | 0 | 113.1 | V1173 G1177 D1220 N1224 G1225 | V1173-E1222 HydrophobicContact CG1-CG 3.76Å; G1177-E1222 WeakPolarHBondContact CA-OE2 3.49Å; D1220-E1222 PolarHBondContact O-N 2.88Å; E1222-N1224 PolarHBondContact O-N 3.13Å; E1222-G1225 PolarHBondContact O-N 3.16Å |
| 1223 | N | 50.7 | Low | 55.8 | Low | 115 Ų | 115 | 86.7 Ų | 86.7 | 62% | 0.615 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -76.9 | -13.6 | -170.9 | -155.4 | 47.5 | 0 | 0 | 0 | 112.8 | D1220 E1221 | D1220-N1223 PolarHBondContact O-N 3.12Å; E1221-N1223 VanDerWaalsContact C-N 3.28Å; E1221-N1223 PolarHBondContact O-N 2.59Å |
| 1224 | N | 45.1 | Very low | 52.9 | Low | 129 Ų | 129 | 91 Ų | 91 | 69% | 0.69 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -101.4 | -8.2 | 177.4 | -69.3 | -35.3 | 0 | 0 | 0 | 113.3 | E1221 E1222 A1226 | E1221-N1224 PolarHBondContact O-N 3.02Å; E1222-N1224 PolarHBondContact O-N 3.13Å; N1224-A1226 PolarHBondContact O-N 2.88Å |
| 1225 | G | 40.9 | Very low | 50.1 | Low | 56 Ų | 56 | 93.2 Ų | 93.2 | 58% | 0.577 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -9.9 | -173 | 0 | 0 | 0 | 0 | 0 | 116.5 | E1221 E1222 S1227 | E1221-G1225 PolarHBondContact O-N 3.24Å; E1222-G1225 PolarHBondContact O-N 3.16Å; G1225-S1227 PolarHBondContact O-N 3.08Å; G1225-S1227 VanDerWaalsContact O-N 3.1Å |
| 1226 | A | 35.9 | Very low | 47.3 | Very low | 102 Ų | 102 | 101.3 Ų | 101.3 | 84% | 0.843 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | 7.3 | -168.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | N1224 | N1224-A1226 PolarHBondContact O-N 2.88Š|
| 1227 | S | 28.6 | Very low | 44.6 | Very low | 109 Ų | 109 | 105.3 Ų | 105.3 | 76% | 0.762 | 65% | 0.649 | S | S | * | * | trans | -138.8 | 57.5 | -172.3 | 47.8 | 0 | 0 | 0 | 0 | 114.5 | G1225 | G1225-S1227 PolarHBondContact O-N 3.08Å; G1225-S1227 VanDerWaalsContact O-N 3.1Å | ||
| 1228 | S | 26.8 | Very low | 41.8 | Very low | 109 Ų | 109 | 104.5 Ų | 104.5 | 76% | 0.762 | 66% | 0.658 | S | S | * | * | trans | -143.4 | 107.7 | 152.3 | 58.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1229 | T | 27.4 | Very low | 39.2 | Very low | 149 Ų | 149 | 109 Ų | 109 | 91% | 0.914 | 69% | 0.691 | S | S | * | * | trans | -86.5 | 112.8 | 174.6 | 26.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1230 | I | 30 | Very low | 36.5 | Very low | 170 Ų | 170 | 113.5 Ų | 113.5 | 87% | 0.872 | 72% | 0.723 | S | S | * | * | trans | -111.5 | 118.3 | 155.8 | -63.1 | 179.9 | 0 | 0 | 0 | 106.7 | ||||
| 1231 | G | 27.4 | Very low | 34.2 | Very low | 59 Ų | 59 | 121.2 Ų | 121.2 | 61% | 0.608 | 75% | 0.747 | S | S | * | * | trans | -98 | -177.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1232 | L | 27 | Very low | 32.2 | Very low | 180 Ų | 180 | 125.7 Ų | 125.7 | 94% | 0.942 | 77% | 0.765 | S | S | * | * | trans | 79.3 | 127 | -179.1 | -49.3 | 171.6 | 0 | 0 | 0 | 113.3 | ||||
| 1233 | S | 29.3 | Very low | 31.1 | Very low | 110 Ų | 110 | 127.9 Ų | 127.9 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | cis | -151.1 | 142.1 | 9.7 | 53.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1234 | N | 26.3 | Very low | 30 | Very low | 166 Ų | 166 | 127.5 Ų | 127.5 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | trans | -88.9 | 126.5 | 166.1 | -92 | -18.5 | 0 | 0 | 0 | 110.7 | ||||
| 1235 | G | 28.1 | Very low | 29.2 | Very low | 78 Ų | 78 | 126.2 Ų | 126.2 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | -105.4 | 121.8 | 157.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1236 | L | 28.5 | Very low | 28.5 | Very low | 169 Ų | 169 | 129.2 Ų | 129.2 | 89% | 0.885 | 80% | 0.804 | S | S | * | * | trans | -83.7 | 142.2 | -174.6 | -74.4 | 139 | 0 | 0 | 0 | 112.8 | ||||
| 1237 | S | 29.6 | Very low | 28.2 | Very low | 113 Ų | 113 | 130.5 Ų | 130.5 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | -151 | 130.9 | 128.7 | 62.5 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 1238 | S | 27 | Very low | 28.1 | Very low | 113 Ų | 113 | 130.9 Ų | 130.9 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | trans | -32.7 | 153 | 165.8 | 47 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1239 | S | 29.1 | Very low | 28.1 | Very low | 112 Ų | 112 | 135.2 Ų | 135.2 | 78% | 0.783 | 82% | 0.82 | S | S | * | * | cis | -150 | 141.1 | 44.7 | 56.6 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1240 | S | 25.6 | Very low | 28 | Very low | 97 Ų | 97 | 132.9 Ų | 132.9 | 68% | 0.678 | 81% | 0.81 | S | S | * | * | trans | -56.1 | 166.6 | 158.6 | 60.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1241 | R | 28.4 | Very low | 27.9 | Very low | 229 Ų | 229 | 131.5 Ų | 131.5 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | cis | -149.2 | 134.8 | 32.9 | -60.2 | 170.3 | 177.2 | 170.9 | -3.1 | 108.3 | ||||
| 1242 | K | 26.2 | Very low | 27.9 | Very low | 207 Ų | 207 | 136.3 Ų | 136.3 | 90% | 0.9 | 81% | 0.812 | S | S | * | * | 64.4 | 144 | 74.5 | -85 | -154 | 173.6 | -174.1 | 0 | 116.6 | |||||
| 1243 | P | 36.1 | Very low | 27.8 | Very low | 114 Ų | 114 | 132.2 Ų | 132.2 | 74% | 0.74 | 80% | 0.799 | S | S | * | * | trans | -126.9 | 175.4 | -146.3 | 43 | -28.7 | 0 | 0 | 0 | 115.5 | ||||
| 1244 | S | 26.4 | Very low | 27.6 | Very low | 107 Ų | 107 | 132.3 Ų | 132.3 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | 170.5 | 138.6 | 131.5 | 57.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1245 | S | 29 | Very low | 27.6 | Very low | 102 Ų | 102 | 130.4 Ų | 130.4 | 71% | 0.713 | 79% | 0.789 | S | S | * | * | trans | 47.7 | 104.6 | 144.5 | 62.6 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1246 | S | 26.7 | Very low | 27.5 | Very low | 119 Ų | 119 | 132 Ų | 132 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | 5.1 | 133.4 | 135.7 | 59 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1247 | S | 29.2 | Very low | 27.4 | Very low | 129 Ų | 129 | 130.5 Ų | 130.5 | 90% | 0.902 | 77% | 0.772 | S | S | * | * | -148.8 | 158.1 | 123.9 | 65.2 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 1248 | S | 25.4 | Very low | 27.2 | Very low | 117 Ų | 117 | 132.3 Ų | 132.3 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | -124.1 | 145 | -160.4 | 56.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1249 | M | 27.5 | Very low | 27.2 | Very low | 199 Ų | 199 | 132 Ų | 132 | 98% | 0.98 | 76% | 0.761 | S | S | * | * | trans | -143.6 | 145.4 | 150.2 | -103.1 | -169 | 159.3 | 0 | 0 | 111.4 | ||||
| 1250 | S | 25.9 | Very low | 27 | Very low | 101 Ų | 101 | 134.3 Ų | 134.3 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | trans | -104.3 | 162.6 | 175.8 | 56.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1251 | L | 26.9 | Very low | 27.2 | Very low | 140 Ų | 140 | 132.7 Ų | 132.7 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | -175.9 | 158 | 59.2 | -113.3 | 161 | 0 | 0 | 0 | 110 | |||||
| 1252 | M | 27.2 | Very low | 27.2 | Very low | 161 Ų | 161 | 130.5 Ų | 130.5 | 79% | 0.793 | 76% | 0.762 | S | S | * | * | trans | 64.5 | 110.2 | 155.7 | -61 | -130.9 | 163.3 | 0 | 0 | 118.4 | ||||
| 1253 | S | 25.8 | Very low | 27.4 | Very low | 93 Ų | 93 | 131.7 Ų | 131.7 | 65% | 0.65 | 76% | 0.761 | S | S | * | * | 70.5 | 130.5 | 79.5 | 76.3 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 1254 | T | 25.6 | Very low | 27.1 | Very low | 112 Ų | 112 | 132.1 Ų | 132.1 | 69% | 0.687 | 76% | 0.762 | S | S | * | * | -166.7 | 157.1 | 53.2 | 36.2 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1255 | T | 24.4 | Very low | 27.2 | Very low | 127 Ų | 127 | 130.9 Ų | 130.9 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | trans | 61.7 | 150.1 | 151.2 | 54.1 | 0 | 0 | 0 | 0 | 118 | ||||
| 1256 | V | 27.7 | Very low | 27.1 | Very low | 110 Ų | 110 | 130.9 Ų | 130.9 | 67% | 0.667 | 77% | 0.766 | S | S | * | * | -166 | 143.9 | 54.9 | 157.8 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 1257 | Q | 26.3 | Very low | 27.2 | Very low | 139 Ų | 139 | 135.3 Ų | 135.3 | 65% | 0.65 | 77% | 0.771 | S | S | * | * | trans | 34.6 | 130.8 | 147.5 | -64.1 | 173.2 | -77.6 | 0 | 0 | 122.5 | ||||
| 1258 | E | 25.6 | Very low | 27.1 | Very low | 150 Ų | 150 | 132.4 Ų | 132.4 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | 81.3 | 153.8 | 103.1 | -67.4 | 168.2 | -167.8 | 0 | 0 | 114.7 | |||||
| 1259 | T | 25.8 | Very low | 27.1 | Very low | 107 Ų | 107 | 137 Ų | 137 | 66% | 0.656 | 77% | 0.766 | S | S | * | * | cis | -160.2 | 161.9 | -24.6 | 26 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1260 | D | 25.8 | Very low | 27 | Very low | 160 Ų | 160 | 134 Ų | 134 | 86% | 0.856 | 76% | 0.758 | S | S | * | * | trans | 58.3 | 149.3 | 158.7 | -53.2 | -31.6 | 0 | 0 | 0 | 120.3 | ||||
| 1261 | G | 28.8 | Very low | 27.2 | Very low | 63 Ų | 63 | 135 Ų | 135 | 65% | 0.649 | 76% | 0.762 | S | S | * | * | cis | 179.1 | 161.8 | -5.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1262 | H | 28.9 | Very low | 27.1 | Very low | 183 Ų | 183 | 133.8 Ų | 133.8 | 85% | 0.847 | 77% | 0.766 | S | S | * | * | trans | 54.3 | 116.8 | 161.4 | -64.8 | -59 | 0 | 0 | 0 | 122.9 | ||||
| 1263 | R | 30.4 | Very low | 27.2 | Very low | 233 Ų | 233 | 131.6 Ų | 131.6 | 88% | 0.879 | 77% | 0.766 | S | S | * | * | -171.6 | 112.1 | 97.8 | -95.4 | -179.8 | 178.4 | -169.9 | -0.6 | 109.4 | |||||
| 1264 | T | 29.2 | Very low | 27.1 | Very low | 122 Ų | 122 | 135.3 Ų | 135.3 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | 51.2 | 125.8 | 94.5 | 65.2 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1265 | G | 29.4 | Very low | 27.1 | Very low | 81 Ų | 81 | 135.1 Ų | 135.1 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | cis | -166.6 | -177 | 8.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1266 | S | 27.2 | Very low | 27.1 | Very low | 102 Ų | 102 | 133 Ų | 133 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | trans | -99.8 | 166.3 | -171.3 | 57.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1267 | F | 28.3 | Very low | 27.1 | Very low | 213 Ų | 213 | 135.9 Ų | 135.9 | 93% | 0.934 | 79% | 0.787 | S | S | * | * | -177.8 | 139.1 | 127.6 | -90.9 | -66 | 0 | 0 | 0 | 107.5 | |||||
| 1268 | G | 27.8 | Very low | 26.9 | Very low | 67 Ų | 67 | 139.4 Ų | 139.4 | 69% | 0.691 | 80% | 0.801 | S | S | * | * | cis | -163.3 | 175 | -6.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1269 | K | 24.7 | Very low | 26.9 | Very low | 213 Ų | 213 | 136.5 Ų | 136.5 | 93% | 0.926 | 80% | 0.802 | S | S | * | * | trans | -134.1 | 146.2 | 172.3 | -96.5 | -171.1 | 175.5 | -176.9 | 0 | 111.3 | ||||
| 1270 | V | 26.4 | Very low | 26.8 | Very low | 136 Ų | 136 | 140.6 Ų | 140.6 | 82% | 0.824 | 81% | 0.814 | S | S | * | * | trans | -74.7 | 143.3 | 175.5 | 178.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1271 | P | 28.6 | Very low | 26.9 | Very low | 122 Ų | 122 | 137.5 Ų | 137.5 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | trans | -103.2 | 129 | 173.6 | 36 | -29.1 | 0 | 0 | 0 | 113.9 | ||||
| 1272 | S | 25.4 | Very low | 26.6 | Very low | 115 Ų | 115 | 145 Ų | 145 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | trans | -163 | 137.4 | 155.3 | 57 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 1273 | S | 29 | Very low | 26.5 | Very low | 115 Ų | 115 | 140.7 Ų | 140.7 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | cis | -147.2 | 167.5 | 20.2 | 45.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1274 | I | 24.2 | Very low | 26.5 | Very low | 172 Ų | 172 | 135.3 Ų | 135.3 | 88% | 0.882 | 82% | 0.818 | S | S | * | * | trans | -88.6 | 132.5 | 177.4 | -65.8 | 159.9 | 0 | 0 | 0 | 109.8 | ||||
| 1275 | S | 25.2 | Very low | 26.4 | Very low | 107 Ų | 107 | 138.9 Ų | 138.9 | 75% | 0.748 | 83% | 0.826 | S | S | * | * | trans | -145.8 | 149.6 | 150.1 | 57.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1276 | A | 24.7 | Very low | 26.2 | Very low | 83 Ų | 83 | 143.1 Ų | 143.1 | 69% | 0.686 | 82% | 0.824 | S | S | * | * | trans | -61.5 | 148.3 | -157.1 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 1277 | N | 26.7 | Very low | 26.4 | Very low | 170 Ų | 170 | 146.2 Ų | 146.2 | 91% | 0.909 | 83% | 0.827 | S | S | * | * | trans | -144.2 | 117.1 | 132.2 | -101.3 | -34.9 | 0 | 0 | 0 | 109.2 | ||||
| 1278 | F | 22.9 | Very low | 26.4 | Very low | 214 Ų | 214 | 146.8 Ų | 146.8 | 94% | 0.939 | 82% | 0.823 | S | S | * | * | trans | -115.4 | 100 | 178.8 | -122.4 | -82.1 | 0 | 0 | 0 | 108.2 | ||||
| 1279 | A | 25.2 | Very low | 26.4 | Very low | 88 Ų | 88 | 152.1 Ų | 152.1 | 73% | 0.727 | 83% | 0.829 | S | S | * | * | trans | -155 | 116.7 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1280 | Q | 25.1 | Very low | 26.8 | Very low | 194 Ų | 194 | 148.1 Ų | 148.1 | 91% | 0.907 | 83% | 0.825 | S | S | * | * | trans | 43.1 | 108.7 | 147.2 | -62 | 175.2 | -16.6 | 0 | 0 | 119.1 | ||||
| 1281 | A | 26.6 | Very low | 26.9 | Very low | 95 Ų | 95 | 150.1 Ų | 150.1 | 79% | 0.785 | 83% | 0.825 | S | S | * | * | 178.5 | 125.3 | 103.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 1282 | F | 23.6 | Very low | 27 | Very low | 220 Ų | 220 | 150 Ų | 150 | 97% | 0.965 | 83% | 0.828 | S | S | * | * | trans | -132.9 | 97.7 | 162.8 | -100.9 | -76.9 | 0 | 0 | 0 | 109.8 | ||||
| 1283 | A | 25.8 | Very low | 27.3 | Very low | 93 Ų | 93 | 151.2 Ų | 151.2 | 77% | 0.769 | 83% | 0.83 | S | S | * | * | trans | -137 | 141.4 | 150.7 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 1284 | P | 30.1 | Very low | 27.3 | Very low | 120 Ų | 120 | 148.6 Ų | 148.6 | 78% | 0.779 | 82% | 0.821 | S | S | * | * | trans | -99.3 | 161 | -149 | 36.9 | -35.5 | 0 | 0 | 0 | 114 | ||||
| 1285 | Q | 27.5 | Very low | 27.7 | Very low | 196 Ų | 196 | 147.4 Ų | 147.4 | 92% | 0.916 | 82% | 0.817 | S | S | * | * | trans | -116.9 | 132.9 | 154.4 | -91.3 | -166.6 | -23.5 | 0 | 0 | 111.4 | ||||
| 1286 | E | 26.1 | Very low | 27.9 | Very low | 170 Ų | 170 | 149.6 Ų | 149.6 | 79% | 0.794 | 82% | 0.819 | S | S | * | * | trans | -72.4 | 175.3 | 167.7 | -55.6 | 176.5 | 110 | 0 | 0 | 111.8 | ||||
| 1287 | Q | 29.9 | Very low | 28.3 | Very low | 168 Ų | 168 | 152.3 Ų | 152.3 | 79% | 0.785 | 83% | 0.827 | S | S | * | * | trans | 102.2 | 96.4 | 163.9 | -55.3 | -171.5 | 17.8 | 0 | 0 | 113.7 | ||||
| 1288 | R | 28.3 | Very low | 28.4 | Very low | 225 Ų | 225 | 151.1 Ų | 151.1 | 85% | 0.849 | 82% | 0.821 | S | S | * | * | 104.8 | 117.4 | 60.1 | -92.3 | 179.7 | -169.8 | -166.5 | 5.1 | 109.3 | |||||
| 1289 | H | 29 | Very low | 29.5 | Very low | 178 Ų | 178 | 145.7 Ų | 145.7 | 82% | 0.824 | 81% | 0.807 | S | S | * | * | trans | -16.9 | 162.3 | 161.9 | -59.6 | -79.7 | 0 | 0 | 0 | 119.1 | ||||
| 1290 | P | 32.1 | Very low | 29.8 | Very low | 129 Ų | 129 | 149.7 Ų | 149.7 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | -119.3 | 153 | 117.7 | 35.3 | -32.9 | 0 | 0 | 0 | 114.7 | |||||
| 1291 | E | 28 | Very low | 30.1 | Very low | 178 Ų | 178 | 145.4 Ų | 145.4 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | trans | -60.8 | 156.5 | -176.7 | -60.4 | 157.1 | 153.7 | 0 | 0 | 115.2 | ||||
| 1292 | S | 31.3 | Very low | 30.4 | Very low | 121 Ų | 121 | 146.9 Ų | 146.9 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | trans | -128.9 | 109.7 | 146.8 | 65.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1293 | V | 31.1 | Very low | 30.8 | Very low | 139 Ų | 139 | 145 Ų | 145 | 84% | 0.842 | 80% | 0.802 | S | S | * | * | trans | -64.9 | 150.3 | 163.9 | 178.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 1294 | G | 30.4 | Very low | 31 | Very low | 60 Ų | 60 | 146.4 Ų | 146.4 | 62% | 0.619 | 80% | 0.801 | S | S | * | * | cis | -177.9 | -138.3 | 2.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1295 | D | 31.3 | Very low | 31 | Very low | 148 Ų | 148 | 147 Ų | 147 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | trans | 73.3 | 103.6 | -175.7 | -58.9 | -20 | 0 | 0 | 0 | 115.8 | ||||
| 1296 | L | 30.6 | Very low | 31.2 | Very low | 153 Ų | 153 | 142.8 Ų | 142.8 | 80% | 0.801 | 80% | 0.797 | S | S | * | * | 62.9 | 119.1 | 65.9 | -62.6 | 158.7 | 0 | 0 | 0 | 111.3 | |||||
| 1297 | V | 32.9 | Very low | 31.5 | Very low | 139 Ų | 139 | 143.5 Ų | 143.5 | 84% | 0.842 | 80% | 0.801 | S | S | * | * | -151.9 | 157.4 | 53.1 | 164.1 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 1298 | N | 29 | Very low | 31.2 | Very low | 146 Ų | 146 | 141.2 Ų | 141.2 | 78% | 0.781 | 80% | 0.802 | S | S | * | * | trans | -123.4 | -149.1 | -168.8 | -152.4 | 19.5 | 0 | 0 | 0 | 110.1 | ||||
| 1299 | P | 45.3 | Very low | 31.2 | Very low | 100 Ų | 100 | 136 Ų | 136 | 65% | 0.649 | 80% | 0.799 | S | S | * | * | -125.6 | -179.2 | -98 | 38 | -21 | 0 | 0 | 0 | 116.1 | |||||
| 1300 | L | 30.6 | Very low | 31.2 | Very low | 171 Ų | 171 | 135.3 Ų | 135.3 | 90% | 0.895 | 80% | 0.8 | S | S | * | * | trans | -155.1 | 141.3 | 149.8 | -85.7 | 168.8 | 0 | 0 | 0 | 106.8 | ||||
| 1301 | S | 31.5 | Very low | 30.9 | Very low | 104 Ų | 104 | 142 Ų | 142 | 73% | 0.727 | 82% | 0.824 | S | S | * | * | cis | -162.3 | 151.6 | -4.1 | 50.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 1302 | P | 34.5 | Very low | 31.1 | Very low | 127 Ų | 127 | 140.3 Ų | 140.3 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | trans | -115 | 158.4 | -168.2 | 40.8 | -32.9 | 0 | 0 | 0 | 117.1 | ||||
| 1303 | Q | 31.1 | Very low | 31 | Very low | 181 Ų | 181 | 141.3 Ų | 141.3 | 85% | 0.846 | 82% | 0.822 | S | S | * | * | trans | -156.2 | 151.8 | 157 | -73.6 | -163.2 | -7.5 | 0 | 0 | 107.8 | ||||
| 1304 | T | 29.4 | Very low | 31 | Very low | 122 Ų | 122 | 141.4 Ų | 141.4 | 75% | 0.748 | 82% | 0.821 | S | S | * | * | cis | -159.4 | 132.2 | -11 | 16.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1305 | P | 30.8 | Very low | 31.1 | Very low | 132 Ų | 132 | 146.2 Ų | 146.2 | 86% | 0.857 | 83% | 0.833 | S | S | * | * | trans | -107.4 | 151.8 | 179.8 | 37.8 | -30.8 | 0 | 0 | 0 | 114.3 | ||||
| 1306 | S | 32.1 | Very low | 31.1 | Very low | 107 Ų | 107 | 146.1 Ų | 146.1 | 75% | 0.748 | 84% | 0.835 | S | S | * | * | trans | -147.9 | 117.5 | 168.9 | 58 | 0 | 0 | 0 | 0 | 113 | ||||
| 1307 | Q | 31.4 | Very low | 31.1 | Very low | 185 Ų | 185 | 145.6 Ų | 145.6 | 86% | 0.864 | 84% | 0.838 | S | S | * | * | trans | 42.7 | 120.4 | 143.3 | -67.6 | 170.2 | -26.7 | 0 | 0 | 118.9 | ||||
| 1308 | C | 24.9 | Very low | 31 | Very low | 121 Ų | 121 | 146.1 Ų | 146.1 | 82% | 0.818 | 84% | 0.837 | S | S | * | * | 48.7 | 97.6 | 58.5 | -70.2 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 1309 | C | 28.7 | Very low | 31.1 | Very low | 115 Ų | 115 | 146.1 Ų | 146.1 | 78% | 0.777 | 84% | 0.842 | S | S | * | * | 167.1 | 133 | 110.5 | -92.6 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 1310 | L | 28.5 | Very low | 29.9 | Very low | 163 Ų | 163 | 149.9 Ų | 149.9 | 85% | 0.853 | 86% | 0.858 | S | S | * | * | trans | 40.3 | 96 | 140.1 | -67.6 | 158.5 | 0 | 0 | 0 | 119.8 | ||||
| 1311 | M | 25.5 | Very low | 29.9 | Very low | 271 Ų | 271 | 148 Ų | 148 | 100% | 1.335 | 85% | 0.854 | S | S | * | * | -142.7 | 0 | 113.2 | -92.9 | -150 | 177.7 | 0 | 0 | 109.7 |
Retrieved 1,311 of 1,311 residues in 463 ms
(Link to these results)