| 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 | 31.4 | Very low | 53.5 | Low | 244 Ų | 244 | 109.4 Ų | 109.4 | 100% | 1.202 | 61% | 0.605 | S | S | * | * | 0 | 109.4 | 0 | -73.4 | 170.8 | 174.7 | 0 | 0 | 107.3 | N3 | M1-N3 PolarHBondContact O-N 2.96Š| |||
| 2 | V | 35.6 | Very low | 55.6 | Low | 132 Ų | 132 | 100.8 Ų | 100.8 | 80% | 0.8 | 56% | 0.557 | S | S | * | * | trans | -70.9 | 110.8 | 170.3 | 174.3 | 0 | 0 | 0 | 0 | 105.7 | Q4 | V2-Q4 VanDerWaalsContact C-N 3.28Å; V2-Q4 HydrophobicContact CG1-CG 4.34Å; V2-Q4 PolarHBondContact O-N 3.23Å | ||
| 3 | N | 32.2 | Very low | 57 | Low | 151 Ų | 151 | 96.7 Ų | 96.7 | 81% | 0.807 | 53% | 0.534 | S | S | * | . | trans | -67.2 | 93.3 | 174.1 | -145 | 9.9 | 0 | 0 | 0 | 106.3 | M1 S5 | M1-N3 PolarHBondContact O-N 2.96Å; N3-S5 PolarHBondContact O-N 3.15Å | ||
| 4 | Q | 38.8 | Very low | 58.4 | Low | 173 Ų | 173 | 90.5 Ų | 90.5 | 81% | 0.808 | 50% | 0.503 | S | S | * | . | trans | -73.3 | 71.6 | 172.4 | -73.6 | -169.3 | 3.9 | 0 | 0 | 108.2 | V2 S6 | V2-Q4 VanDerWaalsContact C-N 3.28Å; V2-Q4 HydrophobicContact CG1-CG 4.34Å; V2-Q4 PolarHBondContact O-N 3.23Å; Q4-S6 VanDerWaalsContact C-N 3.29Å; Q4-S6 PolarHBondContact O-N 2.83Å | ||
| 5 | S | 44 | Very low | 59.5 | Low | 95 Ų | 95 | 85.9 Ų | 85.9 | 66% | 0.664 | 48% | 0.476 | S | S | * | . | trans | -63.2 | 101.4 | 156.3 | 52.6 | 0 | 0 | 0 | 0 | 105.9 | N3 | N3-S5 PolarHBondContact O-N 3.15Š| ||
| 6 | S | 47.3 | Very low | 60.5 | Low | 99 Ų | 99 | 83.1 Ų | 83.1 | 69% | 0.692 | 46% | 0.464 | S | S | * | . | trans | -47.9 | 126.2 | 165.3 | -89.6 | 0 | 0 | 0 | 0 | 107.4 | Q4 M8 | Q4-S6 VanDerWaalsContact C-N 3.29Å; Q4-S6 PolarHBondContact O-N 2.83Å; S6-M8 PolarHBondContact O-N 3.2Å | ||
| 7 | P | 56.7 | Low | 61.6 | Low | 42 Ų | 42 | 88.4 Ų | 88.4 | 27% | 0.273 | 48% | 0.484 | S | S | . | . | trans | -60.6 | 107.2 | 178.6 | 21.7 | -27.8 | 0 | 0 | 0 | 107.4 | G9 F92 | P7-G9 PolarHBondContact O-N 2.9Å; P7-F92 HydrophobicContact CB-CD2 4.31Å; P7-F92 HydrophobicContact CG-CB 4.15Å; P7-F92 HydrophobicContact CG-CD2 3.64Å; P7-F92 HydrophobicContact CG-CE2 4.21Å; P7-F92 HydrophobicContact CG-CG 3.89Å | ||
| 8 | M | 67.7 | Low | 62.8 | Low | 188 Ų | 188 | 89.2 Ų | 89.2 | 93% | 0.926 | 48% | 0.484 | S | S | * | . | trans | -61.1 | -18.7 | -173.9 | -92.6 | -159.7 | -78.1 | 0 | 0 | 112.2 | S6 | S6-M8 PolarHBondContact O-N 3.2Š| ||
| 9 | G | 74.3 | Confident | 63.8 | Low | 14 Ų | 14 | 89 Ų | 89 | 14% | 0.144 | 49% | 0.488 | C | S | . | . | trans | 156.6 | -179.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | P7 I90 Q170 | P7-G9 PolarHBondContact O-N 2.9Å; G9-I90 CarbonylContact C-O 3.58Å; G9-I90 WeakPolarHBondContact CA-O 3.23Å; G9-Q170 PolarHBondContact O-OE1 3.2Å; G9-Q170 VanDerWaalsContact O-OE1 3.05Å | ||
| 10 | F | 81 | Confident | 64.9 | Low | 1 Ų | 1 | 88.3 Ų | 88.3 | 0% | 0.004 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 142.2 | 172.6 | -60.2 | -82.9 | 0 | 0 | 0 | 109.6 | T89 I90 F92 C95 F166 Q170 I172 L182 L185 | F10-T89 VanDerWaalsContact O-CA 3.29Å; F10-T89 WeakPolarHBondContact O-CA 3.38Å; F10-I90 HydrophobicContact CB-CG2 3.92Å; F10-I90 HydrophobicContact CD2-CG2 4.44Å; F10-I90 PolarHBondContact N-O 3.15Å; F10-I90 PolarHBondContact O-N 2.79Å; F10-F92 HydrophobicContact CE2-CB 4.45Å; F10-F92 AromaticContact CE2-CD2 3.55Å; F10-F92 HydrophobicContact CE2-CD2 3.55Å; F10-F92 HydrophobicContact CE2-CE2 4.24Å; F10-F92 HydrophobicContact CE2-CG 4.4Å; F10-F92 AromaticContact CZ-CD2 3.78Å; F10-F92 HydrophobicContact CZ-CD2 3.78Å; F10-F92 HydrophobicContact CZ-CE2 4.16Å; F10-C95 HydrophobicContact CD2-CB 3.79Å; F10-C95 HydrophobicContact CE2-CB 3.91Å; F10-F166 HydrophobicContact CE1-CD2 4.18Å; F10-F166 HydrophobicContact CE1-CE2 4.47Å; F10-F166 HydrophobicContact CE1-CG 4.27Å; F10-F166 HydrophobicContact CZ-CD2 4.11Å; F10-F166 HydrophobicContact CZ-CE2 4.04Å; F10-Q170 WeakPolarHBondContact CA-O 3.38Å; F10-Q170 HydrophobicContact CD1-CB 4.17Å; F10-I172 HydrophobicContact CB-CD1 3.56Å; F10-I172 HydrophobicContact CB-CG1 4.02Å; F10-I172 HydrophobicContact CD1-CD1 3.83Å; F10-I172 HydrophobicContact CD1-CG1 4.1Å; F10-I172 HydrophobicContact CD2-CD1 4.27Å; F10-I172 HydrophobicContact CG-CD1 3.64Å; F10-I172 HydrophobicContact CG-CG1 4.27Å; F10-L182 HydrophobicContact CE1-CD2 4.44Å; F10-L182 HydrophobicContact CZ-CD2 4.38Å; F10-L185 HydrophobicContact CD1-CD2 3.64Å; F10-L185 HydrophobicContact CE1-CD2 3.65Å |
| 11 | L | 79.4 | Confident | 65.9 | Low | 64 Ų | 64 | 86.5 Ų | 86.5 | 34% | 0.335 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 116.7 | 170.4 | -172.1 | 76.5 | 0 | 0 | 0 | 108.6 | L13 K88 T89 Q170 Q171 I172 | L11-L13 HydrophobicContact CD2-CD2 3.96Å; L11-K88 CarbonylContact C-O 3.21Å; L11-T89 HydrophobicContact CD1-CG2 3.84Å; L11-Q170 PolarHBondContact N-O 3.28Å; L11-Q171 HydrophobicContact CB-CG 4.44Å; L11-Q171 HydrophobicContact CD2-CG 4.17Å; L11-Q171 CarbonylContact O-C 3.56Å; L11-Q171 WeakPolarHBondContact O-CA 3.35Å; L11-I172 PolarHBondContact O-N 2.83Å |
| 12 | L | 79.3 | Confident | 68.6 | Low | 6 Ų | 6 | 75.8 Ų | 75.8 | 3% | 0.031 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 102.6 | 177.5 | -72.5 | 159.2 | 0 | 0 | 0 | 108.9 | N82 K88 I90 I172 D174 | L12-N82 VanDerWaalsContact CD1-ND2 3.28Å; L12-N82 WeakPolarHBondContact CD1-ND2 3.28Å; L12-K88 PolarHBondContact N-O 3.36Å; L12-K88 VanDerWaalsContact O-CB 3.3Å; L12-K88 WeakPolarHBondContact O-CB 3.37Å; L12-I90 HydrophobicContact CD1-CB 3.78Å; L12-I90 HydrophobicContact CD1-CG2 3.65Å; L12-I90 HydrophobicContact CG-CG2 4.07Å; L12-I172 WeakPolarHBondContact CA-O 3.45Å; L12-I172 HydrophobicContact CD2-CB 4.01Å; L12-I172 HydrophobicContact CD2-CD1 4.48Å; L12-I172 HydrophobicContact CD2-CG2 3.89Å; L12-D174 WeakPolarHBondContact CB-O 3.45Å; L12-D174 VanDerWaalsContact CD2-O 3.25Å; L12-D174 WeakPolarHBondContact CD2-O 3.38Å |
| 13 | L | 73.8 | Confident | 71.1 | Confident | 48 Ų | 48 | 78.5 Ų | 78.5 | 25% | 0.251 | 43% | 0.426 | S | S | . | . | trans | -72.8 | -36 | -177.1 | -68.1 | 170.3 | 0 | 0 | 0 | 112 | L11 F15 S16 Q171 I172 | L11-L13 HydrophobicContact CD2-CD2 3.96Å; L13-F15 PolarHBondContact O-N 3.49Å; L13-S16 WeakPolarHBondContact O-CB 3.38Å; L13-S16 PolarHBondContact O-N 3.32Å; L13-S16 PolarHBondContact O-OG 2.78Å; L13-Q171 HydrophobicContact CD1-CB 3.93Å; L13-Q171 HydrophobicContact CG-CB 4.3Å; L13-I172 PolarHBondContact N-O 3.32Å | ||
| 14 | G | 75.9 | Confident | 73.8 | Confident | 10 Ų | 10 | 75.2 Ų | 75.2 | 10% | 0.103 | 41% | 0.412 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 44.4 | -109.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | D174 K270 | G14-D174 PolarHBondContact N-O 3.21Å; G14-K270 PolarHBondContact O-NZ 3.06Å |
| 15 | F | 75.3 | Confident | 76.3 | Confident | 22 Ų | 22 | 67.8 Ų | 67.8 | 10% | 0.096 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | 31.5 | 177.4 | -66.4 | -77.2 | 0 | 0 | 0 | 113.1 | L13 E17 H18 L21 E22 L25 F175 K270 F271 | L13-F15 PolarHBondContact O-N 3.49Å; F15-E17 PolarHBondContact O-N 2.81Å; F15-H18 CarbonylContact O-C 3.59Å; F15-H18 PolarHBondContact O-N 2.95Å; F15-L21 HydrophobicContact CB-CD2 4.16Å; F15-L21 HydrophobicContact CD1-CD2 3.4Å; F15-L21 VanDerWaalsContact CD1-CD2 3.4Å; F15-L21 HydrophobicContact CD1-CG 4.49Å; F15-L21 HydrophobicContact CE1-CD2 3.85Å; F15-L21 HydrophobicContact CG-CD2 3.79Å; F15-L21 HydrophobicContact CG-CG 4.44Å; F15-E22 HydrophobicContact CB-CG 4.12Å; F15-L25 HydrophobicContact CB-CD1 4.47Å; F15-L25 HydrophobicContact CD2-CD1 3.29Å; F15-L25 HydrophobicContact CE2-CD1 3.63Å; F15-L25 HydrophobicContact CG-CD1 4Å; F15-F175 HydrophobicContact CE2-CD1 4.47Å; F15-K270 HydrophobicContact CZ-CB 4.11Å; F15-F271 HydrophobicContact CE1-CD2 4.27Å; F15-F271 HydrophobicContact CE1-CE1 4.18Å; F15-F271 AromaticContact CE1-CE2 3.52Å; F15-F271 HydrophobicContact CE1-CE2 3.52Å; F15-F271 AromaticContact CE1-CZ 3.47Å; F15-F271 HydrophobicContact CE1-CZ 3.47Å; F15-F271 VanDerWaalsContact CE1-CZ 3.47Å; F15-F271 HydrophobicContact CZ-CD1 4.16Å; F15-F271 HydrophobicContact CZ-CD2 4Å; F15-F271 AromaticContact CZ-CE1 3.81Å; F15-F271 HydrophobicContact CZ-CE1 3.81Å; F15-F271 AromaticContact CZ-CE2 3.65Å; F15-F271 HydrophobicContact CZ-CE2 3.65Å; F15-F271 HydrophobicContact CZ-CG 4.25Å; F15-F271 AromaticContact CZ-CZ 3.55Å; F15-F271 HydrophobicContact CZ-CZ 3.55Å |
| 16 | S | 75.4 | Confident | 78.6 | Confident | 41 Ų | 41 | 65.4 Ų | 65.4 | 29% | 0.287 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -25.9 | -174.9 | -68.5 | 0 | 0 | 0 | 0 | 114.7 | L13 H18 E22 K88 | L13-S16 WeakPolarHBondContact O-CB 3.38Å; L13-S16 PolarHBondContact O-N 3.32Å; L13-S16 PolarHBondContact O-OG 2.78Å; S16-H18 PolarHBondContact O-N 2.94Å; S16-E22 WeakPolarHBondContact CA-OE1 3.31Å; S16-E22 PolarHBondContact N-OE1 3.47Å; S16-K88 WeakPolarHBondContact OG-CD 3.3Å; S16-K88 PolarHBondContact OG-NZ 3.22Å |
| 17 | E | 79.1 | Confident | 80.8 | Confident | 173 Ų | 173 | 65 Ų | 65 | 81% | 0.808 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -14.3 | 175.5 | -61.7 | -174.5 | 163.4 | 0 | 0 | 113.2 | F15 | F15-E17 PolarHBondContact O-N 2.81Š|
| 18 | H | 83.2 | Confident | 82.5 | Confident | 103 Ų | 103 | 66.6 Ų | 66.6 | 48% | 0.477 | 36% | 0.357 | S | S | . | . | trans | -128.1 | 76.6 | -172.8 | -59.5 | 80.6 | 0 | 0 | 0 | 111.6 | F15 S16 A20 L21 E22 | F15-H18 CarbonylContact O-C 3.59Å; F15-H18 PolarHBondContact O-N 2.95Å; S16-H18 PolarHBondContact O-N 2.94Å; H18-A20 VanDerWaalsContact C-N 3.27Å; H18-A20 PolarHBondContact O-N 3.46Å; H18-A20 VanDerWaalsContact O-N 3.16Å; H18-L21 HydrophobicContact CB-CB 3.74Å; H18-L21 HydrophobicContact CB-CD2 4.3Å; H18-L21 WeakPolarHBondContact O-CA 3.46Å; H18-L21 VanDerWaalsContact O-CB 3.3Å; H18-L21 WeakPolarHBondContact O-CB 3.45Å; H18-L21 PolarHBondContact O-N 3.26Å; H18-E22 PolarHBondContact O-N 2.99Å; H18-E22 VanDerWaalsContact O-N 3.13Å | ||
| 19 | P | 82.4 | Confident | 83.7 | Confident | 85 Ų | 85 | 57.7 Ų | 57.7 | 55% | 0.552 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -59.5 | -32.8 | -174.4 | -24.4 | 33.1 | 0 | 0 | 0 | 114.7 | L21 E22 R23 | P19-L21 VanDerWaalsContact C-N 3.32Å; P19-E22 PolarHBondContact O-N 3.4Å; P19-R23 PolarHBondContact O-N 3.27Å |
| 20 | A | 85.8 | Confident | 84.6 | Confident | 75 Ų | 75 | 61.3 Ų | 61.3 | 62% | 0.62 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -67.3 | -35.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | H18 T24 | H18-A20 VanDerWaalsContact C-N 3.27Å; H18-A20 PolarHBondContact O-N 3.46Å; H18-A20 VanDerWaalsContact O-N 3.16Å; A20-T24 PolarHBondContact O-N 2.79Å; A20-T24 PolarHBondContact O-OG1 2.94Å |
| 21 | L | 86 | Confident | 85.2 | Confident | 51 Ų | 51 | 64.6 Ų | 64.6 | 27% | 0.267 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -68 | -41.5 | 175.2 | -176.7 | 60 | 0 | 0 | 0 | 110.1 | F15 H18 P19 R23 T24 L25 F271 | F15-L21 HydrophobicContact CB-CD2 4.16Å; F15-L21 HydrophobicContact CD1-CD2 3.4Å; F15-L21 VanDerWaalsContact CD1-CD2 3.4Å; F15-L21 HydrophobicContact CD1-CG 4.49Å; F15-L21 HydrophobicContact CE1-CD2 3.85Å; F15-L21 HydrophobicContact CG-CD2 3.79Å; F15-L21 HydrophobicContact CG-CG 4.44Å; H18-L21 HydrophobicContact CB-CB 3.74Å; H18-L21 HydrophobicContact CB-CD2 4.3Å; H18-L21 WeakPolarHBondContact O-CA 3.46Å; H18-L21 VanDerWaalsContact O-CB 3.3Å; H18-L21 WeakPolarHBondContact O-CB 3.45Å; H18-L21 PolarHBondContact O-N 3.26Å; P19-L21 VanDerWaalsContact C-N 3.32Å; L21-R23 PolarHBondContact O-N 3.03Å; L21-T24 WeakPolarHBondContact O-CB 2.88Å; L21-T24 PolarHBondContact O-N 3.43Å; L21-T24 VanDerWaalsContact O-N 3.11Å; L21-L25 HydrophobicContact CD1-CD1 4.38Å; L21-L25 HydrophobicContact CD1-CD2 4.49Å; L21-L25 HydrophobicContact CD1-CG 4.11Å; L21-L25 HydrophobicContact CG-CD1 3.93Å; L21-L25 HydrophobicContact CG-CG 4.12Å; L21-L25 WeakPolarHBondContact O-CB 3.31Å; L21-L25 VanDerWaalsContact O-CG 3.27Å; L21-L25 WeakPolarHBondContact O-CG 3.48Å; L21-L25 PolarHBondContact O-N 3.33Å; L21-F271 HydrophobicContact CD2-CZ 4.29Å |
| 22 | E | 87.1 | Confident | 85.9 | Confident | 19 Ų | 19 | 62.5 Ų | 62.5 | 9% | 0.089 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.1 | -43.5 | 178.1 | -64 | -171 | 137.1 | 0 | 0 | 112.8 | F15 S16 H18 P19 T24 L25 F26 L83 K88 | F15-E22 HydrophobicContact CB-CG 4.12Å; S16-E22 WeakPolarHBondContact CA-OE1 3.31Å; S16-E22 PolarHBondContact N-OE1 3.47Å; H18-E22 PolarHBondContact O-N 2.99Å; H18-E22 VanDerWaalsContact O-N 3.13Å; P19-E22 PolarHBondContact O-N 3.4Å; E22-T24 VanDerWaalsContact C-N 3.33Å; E22-T24 PolarHBondContact O-N 2.9Å; E22-L25 PolarHBondContact O-N 3.31Å; E22-F26 WeakPolarHBondContact O-CB 3.47Å; E22-F26 PolarHBondContact O-N 3.29Å; E22-L83 HydrophobicContact CB-CD2 4.18Å; E22-L83 HydrophobicContact CG-CD2 4.32Å; E22-K88 WeakPolarHBondContact OE1-CE 3.4Å; E22-K88 IonicContact OE1-NZ 3.54Å; E22-K88 PolarHBondContact OE1-NZ 2.62Å; E22-K88 IonicContact OE2-NZ 2.81Å; E22-K88 PolarHBondContact OE2-NZ 3.05Å |
| 23 | R | 87.7 | Confident | 86.6 | Confident | 189 Ų | 189 | 64 Ų | 64 | 71% | 0.713 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -62.7 | -40.5 | 174.8 | -71 | -176.5 | -177.3 | 174.3 | 1.6 | 112.4 | P19 L21 F26 V27 | P19-R23 PolarHBondContact O-N 3.27Å; L21-R23 PolarHBondContact O-N 3.03Å; R23-F26 PolarHBondContact O-N 3.49Å; R23-V27 PolarHBondContact O-N 2.69Å |
| 24 | T | 90.6 | Very high | 87.5 | Confident | 82 Ų | 82 | 65.4 Ų | 65.4 | 50% | 0.503 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.5 | -46 | 177.4 | -55.3 | 0 | 0 | 0 | 0 | 110.5 | A20 L21 E22 F26 V27 V28 | A20-T24 PolarHBondContact O-N 2.79Å; A20-T24 PolarHBondContact O-OG1 2.94Å; L21-T24 WeakPolarHBondContact O-CB 2.88Å; L21-T24 PolarHBondContact O-N 3.43Å; L21-T24 VanDerWaalsContact O-N 3.11Å; E22-T24 VanDerWaalsContact C-N 3.33Å; E22-T24 PolarHBondContact O-N 2.9Å; T24-F26 VanDerWaalsContact C-N 3.32Å; T24-F26 PolarHBondContact O-N 3.14Å; T24-V27 PolarHBondContact O-N 3.14Å; T24-V28 WeakPolarHBondContact O-CG2 3.23Å; T24-V28 PolarHBondContact O-N 3.17Å |
| 25 | L | 90.3 | Very high | 88.3 | Confident | 16 Ų | 16 | 68.9 Ų | 68.9 | 8% | 0.084 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.7 | -39.1 | 176.6 | -70.6 | 178.8 | 0 | 0 | 0 | 111.6 | F15 L21 E22 V27 V28 V29 L83 L274 | F15-L25 HydrophobicContact CB-CD1 4.47Å; F15-L25 HydrophobicContact CD2-CD1 3.29Å; F15-L25 HydrophobicContact CE2-CD1 3.63Å; F15-L25 HydrophobicContact CG-CD1 4Å; L21-L25 HydrophobicContact CD1-CD1 4.38Å; L21-L25 HydrophobicContact CD1-CD2 4.49Å; L21-L25 HydrophobicContact CD1-CG 4.11Å; L21-L25 HydrophobicContact CG-CD1 3.93Å; L21-L25 HydrophobicContact CG-CG 4.12Å; L21-L25 WeakPolarHBondContact O-CB 3.31Å; L21-L25 VanDerWaalsContact O-CG 3.27Å; L21-L25 WeakPolarHBondContact O-CG 3.48Å; L21-L25 PolarHBondContact O-N 3.33Å; E22-L25 PolarHBondContact O-N 3.31Å; L25-V27 VanDerWaalsContact C-N 3.35Å; L25-V27 PolarHBondContact O-N 3.37Å; L25-V28 PolarHBondContact O-N 2.97Å; L25-V29 WeakPolarHBondContact O-CB 3.44Å; L25-V29 WeakPolarHBondContact O-CG2 3.5Å; L25-V29 PolarHBondContact O-N 3.34Å; L25-L83 HydrophobicContact CB-CD1 4.17Å; L25-L83 HydrophobicContact CB-CD2 4.12Å; L25-L83 HydrophobicContact CD1-CD2 4.47Å; L25-L274 HydrophobicContact CD2-CD2 3.63Å |
| 26 | F | 91.7 | Very high | 89.2 | Confident | 46 Ų | 46 | 67.8 Ų | 67.8 | 20% | 0.202 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -56.1 | -49.5 | 175.2 | 179.1 | -90.5 | 0 | 0 | 0 | 111.4 | E22 R23 T24 F30 L80 L83 W84 | E22-F26 WeakPolarHBondContact O-CB 3.47Å; E22-F26 PolarHBondContact O-N 3.29Å; R23-F26 PolarHBondContact O-N 3.49Å; T24-F26 VanDerWaalsContact C-N 3.32Å; T24-F26 PolarHBondContact O-N 3.14Å; F26-F30 WeakPolarHBondContact O-CB 3.42Å; F26-F30 PolarHBondContact O-N 3.09Å; F26-L80 HydrophobicContact CD2-CB 4.37Å; F26-L80 HydrophobicContact CD2-CD2 3.68Å; F26-L80 WeakPolarHBondContact CD2-O 3.37Å; F26-L80 HydrophobicContact CE2-CB 4.02Å; F26-L80 HydrophobicContact CE2-CD2 3.76Å; F26-L80 HydrophobicContact CE2-CG 4.49Å; F26-L80 WeakPolarHBondContact CE2-O 3.37Å; F26-L80 HydrophobicContact CG-CD2 4.3Å; F26-L80 HydrophobicContact CZ-CD2 4.43Å; F26-L83 HydrophobicContact CB-CB 4.15Å; F26-L83 HydrophobicContact CD2-CB 4.17Å; F26-W84 HydrophobicContact CD1-CE3 4Å; F26-W84 HydrophobicContact CD1-CZ3 4.4Å; F26-W84 HydrophobicContact CD2-CB 3.88Å; F26-W84 HydrophobicContact CD2-CE3 4.33Å; F26-W84 AromaticContact CE1-CE3 3.97Å; F26-W84 HydrophobicContact CE1-CE3 3.97Å; F26-W84 HydrophobicContact CE1-CZ3 4.35Å; F26-W84 HydrophobicContact CE2-CB 3.75Å; F26-W84 HydrophobicContact CE2-CE3 4.29Å; F26-W84 HydrophobicContact CE2-CG 4.36Å; F26-W84 HydrophobicContact CG-CE3 4.18Å; F26-W84 HydrophobicContact CZ-CE3 4.12Å |
| 27 | V | 93.4 | Very high | 90.1 | Very high | 89 Ų | 89 | 68.3 Ų | 68.3 | 54% | 0.539 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.8 | -44.5 | 179.6 | 176.8 | 0 | 0 | 0 | 0 | 111.3 | R23 T24 L25 T31 | R23-V27 PolarHBondContact O-N 2.69Å; T24-V27 PolarHBondContact O-N 3.14Å; L25-V27 VanDerWaalsContact C-N 3.35Å; L25-V27 PolarHBondContact O-N 3.37Å; V27-T31 WeakPolarHBondContact O-CB 3.32Å; V27-T31 PolarHBondContact O-N 3.08Å; V27-T31 PolarHBondContact O-OG1 3.27Å |
| 28 | V | 92.8 | Very high | 90.7 | Very high | 76 Ų | 76 | 65 Ų | 65 | 46% | 0.461 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.8 | -51.8 | 179.1 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | T24 L25 F30 T31 S32 | T24-V28 WeakPolarHBondContact O-CG2 3.23Å; T24-V28 PolarHBondContact O-N 3.17Å; L25-V28 PolarHBondContact O-N 2.97Å; V28-F30 PolarHBondContact O-N 3.42Å; V28-T31 PolarHBondContact O-N 3.05Å; V28-S32 WeakPolarHBondContact O-CB 3.22Å; V28-S32 PolarHBondContact O-N 3.08Å; V28-S32 PolarHBondContact O-OG 3.36Å |
| 29 | V | 93 | Very high | 91.1 | Very high | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.006 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.7 | -43.9 | -179.2 | 169.7 | 0 | 0 | 0 | 0 | 111.1 | L25 S32 Y33 V76 M79 L80 L83 L274 V278 | L25-V29 WeakPolarHBondContact O-CB 3.44Å; L25-V29 WeakPolarHBondContact O-CG2 3.5Å; L25-V29 PolarHBondContact O-N 3.34Å; V29-S32 PolarHBondContact O-N 3.43Å; V29-Y33 WeakPolarHBondContact O-CB 3.39Å; V29-Y33 PolarHBondContact O-N 3.28Å; V29-V76 HydrophobicContact CG1-CG1 3.49Å; V29-V76 VanDerWaalsContact CG1-CG1 3.49Å; V29-M79 HydrophobicContact CB-CE 4.31Å; V29-M79 HydrophobicContact CG1-CE 3.39Å; V29-M79 HydrophobicContact CG2-CE 3.87Å; V29-L80 HydrophobicContact CB-CD2 4.07Å; V29-L80 HydrophobicContact CG1-CD2 3.71Å; V29-L80 HydrophobicContact CG1-CG 3.99Å; V29-L83 HydrophobicContact CG2-CD1 4.25Å; V29-L274 HydrophobicContact CG2-CD1 3.88Å; V29-V278 HydrophobicContact CG1-CG2 4.47Å |
| 30 | F | 94.2 | Very high | 91.6 | Very high | 91 Ų | 91 | 56.5 Ų | 56.5 | 40% | 0.399 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.6 | -46.1 | 178.7 | -178.1 | -105 | 0 | 0 | 0 | 111.4 | F26 V28 Y33 L34 L80 | F26-F30 WeakPolarHBondContact O-CB 3.42Å; F26-F30 PolarHBondContact O-N 3.09Å; V28-F30 PolarHBondContact O-N 3.42Å; F30-Y33 WeakPolarHBondContact O-CB 3.45Å; F30-Y33 PolarHBondContact O-N 2.9Å; F30-L34 HydrophobicContact CD1-CD1 4.19Å; F30-L34 HydrophobicContact CE1-CD1 3.61Å; F30-L34 HydrophobicContact CE1-CG 4.37Å; F30-L34 HydrophobicContact CZ-CD1 3.89Å; F30-L34 HydrophobicContact CZ-CG 4.37Å; F30-L34 WeakPolarHBondContact O-CG 3.26Å; F30-L34 PolarHBondContact O-N 3.45Å; F30-L34 VanDerWaalsContact O-N 3.11Å; F30-L80 HydrophobicContact CB-CD2 3.87Å; F30-L80 HydrophobicContact CD2-CD1 3.97Å |
| 31 | T | 93.2 | Very high | 92 | Very high | 70 Ų | 70 | 56.6 Ų | 56.6 | 43% | 0.429 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.9 | -46.1 | 178.6 | -54 | 0 | 0 | 0 | 0 | 111.1 | V27 V28 Y33 L34 L35 | V27-T31 WeakPolarHBondContact O-CB 3.32Å; V27-T31 PolarHBondContact O-N 3.08Å; V27-T31 PolarHBondContact O-OG1 3.27Å; V28-T31 PolarHBondContact O-N 3.05Å; T31-Y33 VanDerWaalsContact C-N 3.3Å; T31-Y33 PolarHBondContact O-N 3.01Å; T31-L34 PolarHBondContact O-N 3.49Å; T31-L35 HydrophobicContact CG2-CD1 4.28Å; T31-L35 WeakPolarHBondContact O-CG 3.32Å; T31-L35 PolarHBondContact O-N 3.21Å |
| 32 | S | 93.3 | Very high | 92.2 | Very high | 20 Ų | 20 | 56 Ų | 56 | 14% | 0.14 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.7 | -39.2 | 175.8 | -72.4 | 0 | 0 | 0 | 0 | 112 | V28 V29 L35 T36 | V28-S32 WeakPolarHBondContact O-CB 3.22Å; V28-S32 PolarHBondContact O-N 3.08Å; V28-S32 PolarHBondContact O-OG 3.36Å; V29-S32 PolarHBondContact O-N 3.43Å; S32-L35 PolarHBondContact O-N 3.04Å; S32-T36 PolarHBondContact O-N 2.87Å; S32-T36 PolarHBondContact O-OG1 2.83Å |
| 33 | Y | 94.1 | Very high | 92.3 | Very high | 36 Ų | 36 | 55.2 Ų | 55.2 | 14% | 0.141 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.8 | -47 | 176.7 | -175.1 | -127.3 | 0 | 0 | 0 | 112 | V29 F30 T31 L35 T36 L37 T73 V76 | V29-Y33 WeakPolarHBondContact O-CB 3.39Å; V29-Y33 PolarHBondContact O-N 3.28Å; F30-Y33 WeakPolarHBondContact O-CB 3.45Å; F30-Y33 PolarHBondContact O-N 2.9Å; T31-Y33 VanDerWaalsContact C-N 3.3Å; T31-Y33 PolarHBondContact O-N 3.01Å; Y33-L35 VanDerWaalsContact C-N 3.32Å; Y33-L35 PolarHBondContact O-N 3Å; Y33-T36 PolarHBondContact O-N 2.91Å; Y33-L37 HydrophobicContact CD1-CD1 4.1Å; Y33-L37 HydrophobicContact CD2-CG 4.36Å; Y33-L37 HydrophobicContact CE1-CD1 3.66Å; Y33-L37 HydrophobicContact CE1-CG 4.35Å; Y33-L37 HydrophobicContact CE2-CD1 4.21Å; Y33-L37 HydrophobicContact CE2-CD2 4.07Å; Y33-L37 HydrophobicContact CE2-CG 4.02Å; Y33-L37 WeakPolarHBondContact O-CG 3.24Å; Y33-L37 PolarHBondContact O-N 3.34Å; Y33-T73 PolarHBondContact OH-OG1 3.37Å; Y33-V76 HydrophobicContact CD1-CG1 4.38Å; Y33-V76 HydrophobicContact CD2-CB 3.94Å; Y33-V76 HydrophobicContact CD2-CG1 3.92Å; Y33-V76 HydrophobicContact CD2-CG2 4.3Å; Y33-V76 HydrophobicContact CE2-CB 4.35Å; Y33-V76 HydrophobicContact CG-CB 4.31Å; Y33-V76 HydrophobicContact CG-CG1 3.77Å |
| 34 | L | 93.9 | Very high | 92.5 | Very high | 79 Ų | 79 | 48.1 Ų | 48.1 | 41% | 0.414 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62 | -40.9 | 176.1 | -65.7 | -179.5 | 0 | 0 | 0 | 111.9 | F30 T31 L37 V38 | F30-L34 HydrophobicContact CD1-CD1 4.19Å; F30-L34 HydrophobicContact CE1-CD1 3.61Å; F30-L34 HydrophobicContact CE1-CG 4.37Å; F30-L34 HydrophobicContact CZ-CD1 3.89Å; F30-L34 HydrophobicContact CZ-CG 4.37Å; F30-L34 WeakPolarHBondContact O-CG 3.26Å; F30-L34 PolarHBondContact O-N 3.45Å; F30-L34 VanDerWaalsContact O-N 3.11Å; T31-L34 PolarHBondContact O-N 3.49Å; L34-L37 PolarHBondContact O-N 3.48Å; L34-V38 WeakPolarHBondContact O-CB 3.48Å; L34-V38 WeakPolarHBondContact O-CG2 3.28Å; L34-V38 PolarHBondContact O-N 3.33Å |
| 35 | L | 92.6 | Very high | 92.4 | Very high | 82 Ų | 82 | 47.9 Ų | 47.9 | 43% | 0.429 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.7 | -42.2 | 175.4 | -72.6 | 170.6 | 0 | 0 | 0 | 111.9 | T31 S32 Y33 G39 | T31-L35 HydrophobicContact CG2-CD1 4.28Å; T31-L35 WeakPolarHBondContact O-CG 3.32Å; T31-L35 PolarHBondContact O-N 3.21Å; S32-L35 PolarHBondContact O-N 3.04Å; Y33-L35 VanDerWaalsContact C-N 3.32Å; Y33-L35 PolarHBondContact O-N 3Å; L35-G39 WeakPolarHBondContact O-CA 3.49Å; L35-G39 PolarHBondContact O-N 3.25Å |
| 36 | T | 93.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.1 | -48.7 | 175.4 | -58.3 | 0 | 0 | 0 | 0 | 110.7 | S32 Y33 N40 D68 T72 P281 S282 | S32-T36 PolarHBondContact O-N 2.87Å; S32-T36 PolarHBondContact O-OG1 2.83Å; Y33-T36 PolarHBondContact O-N 2.91Å; T36-N40 VanDerWaalsContact CG2-ND2 3.3Å; T36-N40 WeakPolarHBondContact CG2-ND2 3.18Å; T36-N40 VanDerWaalsContact O-CB 3.26Å; T36-N40 WeakPolarHBondContact O-CB 3.08Å; T36-N40 PolarHBondContact O-N 3.39Å; T36-N40 PolarHBondContact O-ND2 3.08Å; T36-N40 VanDerWaalsContact O-ND2 3.13Å; T36-D68 HydrophobicContact CG2-CB 4.41Å; T36-T72 HydrophobicContact CG2-CG2 3.83Å; T36-P281 HydrophobicContact CG2-CB 3.72Å; T36-S282 VanDerWaalsContact OG1-CA 3.29Å; T36-S282 WeakPolarHBondContact OG1-CA 3.39Å; T36-S282 WeakPolarHBondContact OG1-CB 3.3Å; T36-S282 PolarHBondContact OG1-N 3.11Å |
| 37 | L | 94.3 | Very high | 91.9 | Very high | 52 Ų | 52 | 45.5 Ų | 45.5 | 27% | 0.272 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -57.3 | -57 | 179.1 | -72.3 | 179.5 | 0 | 0 | 0 | 110.8 | Y33 L34 G39 T41 L69 | Y33-L37 HydrophobicContact CD1-CD1 4.1Å; Y33-L37 HydrophobicContact CD2-CG 4.36Å; Y33-L37 HydrophobicContact CE1-CD1 3.66Å; Y33-L37 HydrophobicContact CE1-CG 4.35Å; Y33-L37 HydrophobicContact CE2-CD1 4.21Å; Y33-L37 HydrophobicContact CE2-CD2 4.07Å; Y33-L37 HydrophobicContact CE2-CG 4.02Å; Y33-L37 WeakPolarHBondContact O-CG 3.24Å; Y33-L37 PolarHBondContact O-N 3.34Å; L34-L37 PolarHBondContact O-N 3.48Å; L37-G39 PolarHBondContact O-N 3.48Å; L37-T41 WeakPolarHBondContact O-CB 3.14Å; L37-T41 PolarHBondContact O-N 3.43Å; L37-T41 PolarHBondContact O-OG1 2.84Å; L37-L69 HydrophobicContact CD2-CD2 3.74Å |
| 38 | V | 92 | Very high | 91.5 | Very high | 102 Ų | 102 | 46 Ų | 46 | 62% | 0.618 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -64 | -46.6 | -177.3 | 174.9 | 0 | 0 | 0 | 0 | 111.2 | L34 L42 | L34-V38 WeakPolarHBondContact O-CB 3.48Å; L34-V38 WeakPolarHBondContact O-CG2 3.28Å; L34-V38 PolarHBondContact O-N 3.33Å; V38-L42 WeakPolarHBondContact O-CB 3.36Å; V38-L42 PolarHBondContact O-N 3.37Å |
| 39 | G | 91.3 | Very high | 91 | Very high | 11 Ų | 11 | 46.7 Ų | 46.7 | 11% | 0.113 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.1 | -46.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L35 L37 L42 I43 | L35-G39 WeakPolarHBondContact O-CA 3.49Å; L35-G39 PolarHBondContact O-N 3.25Å; L37-G39 PolarHBondContact O-N 3.48Å; G39-L42 PolarHBondContact O-N 2.86Å; G39-I43 WeakPolarHBondContact O-CG1 3.47Å; G39-I43 PolarHBondContact O-N 3.25Å |
| 40 | N | 93.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -75.7 | -37.1 | -178.8 | -74.2 | -62.5 | 0 | 0 | 0 | 112.2 | T36 L42 I43 I44 S65 D68 L69 P281 P285 | T36-N40 VanDerWaalsContact CG2-ND2 3.3Å; T36-N40 WeakPolarHBondContact CG2-ND2 3.18Å; T36-N40 VanDerWaalsContact O-CB 3.26Å; T36-N40 WeakPolarHBondContact O-CB 3.08Å; T36-N40 PolarHBondContact O-N 3.39Å; T36-N40 PolarHBondContact O-ND2 3.08Å; T36-N40 VanDerWaalsContact O-ND2 3.13Å; N40-L42 VanDerWaalsContact C-N 3.28Å; N40-L42 PolarHBondContact O-N 3.29Å; N40-I43 PolarHBondContact O-N 3.17Å; N40-I44 WeakPolarHBondContact O-CG1 3.49Å; N40-I44 PolarHBondContact O-N 3.48Å; N40-S65 WeakPolarHBondContact OD1-CA 3.4Å; N40-S65 VanDerWaalsContact OD1-CB 3.31Å; N40-S65 WeakPolarHBondContact OD1-CB 3.08Å; N40-S65 PolarHBondContact OD1-OG 3.32Å; N40-D68 PolarHBondContact OD1-OD2 2.91Å; N40-L69 HydrophobicContact CB-CD1 4.28Å; N40-L69 HydrophobicContact CB-CD2 3.94Å; N40-L69 HydrophobicContact CB-CG 3.81Å; N40-P281 PolarHBondContact ND2-O 2.83Å; N40-P285 WeakPolarHBondContact ND2-CG 3.3Å |
| 41 | T | 92.9 | Very high | 88.8 | Confident | 77 Ų | 77 | 48.9 Ų | 48.9 | 47% | 0.472 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.5 | -40.7 | 170.8 | -61.2 | 0 | 0 | 0 | 0 | 111.3 | L37 I43 I44 L45 | L37-T41 WeakPolarHBondContact O-CB 3.14Å; L37-T41 PolarHBondContact O-N 3.43Å; L37-T41 PolarHBondContact O-OG1 2.84Å; T41-I43 PolarHBondContact O-N 2.92Å; T41-I44 PolarHBondContact O-N 2.98Å; T41-L45 VanDerWaalsContact O-CB 3.32Å; T41-L45 WeakPolarHBondContact O-CB 3.5Å; T41-L45 PolarHBondContact O-N 2.6Å |
| 42 | L | 90.5 | Very high | 87.4 | Confident | 37 Ų | 37 | 53.6 Ų | 53.6 | 19% | 0.194 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.8 | -42.2 | 175.9 | 178.2 | 65.1 | 0 | 0 | 0 | 111.9 | V38 G39 N40 L45 L46 L299 L302 | V38-L42 WeakPolarHBondContact O-CB 3.36Å; V38-L42 PolarHBondContact O-N 3.37Å; G39-L42 PolarHBondContact O-N 2.86Å; N40-L42 VanDerWaalsContact C-N 3.28Å; N40-L42 PolarHBondContact O-N 3.29Å; L42-L45 PolarHBondContact O-N 3.29Å; L42-L46 HydrophobicContact CD1-CD1 4.15Å; L42-L46 HydrophobicContact CD1-CG 4.05Å; L42-L46 HydrophobicContact CG-CD1 4.01Å; L42-L46 HydrophobicContact CG-CG 4.3Å; L42-L46 WeakPolarHBondContact O-CB 3.44Å; L42-L46 WeakPolarHBondContact O-CG 3.41Å; L42-L46 PolarHBondContact O-N 3.05Å; L42-L299 HydrophobicContact CD1-CD1 3.84Å; L42-L299 HydrophobicContact CD2-CD1 3.64Å; L42-L299 HydrophobicContact CD2-CD2 4.4Å; L42-L299 HydrophobicContact CG-CD1 4.27Å; L42-L302 HydrophobicContact CD1-CD2 3.51Å |
| 43 | I | 89.4 | Confident | 86.1 | Confident | 4 Ų | 4 | 53.1 Ų | 53.1 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61 | -48.9 | 176.7 | -75.2 | 173.9 | 0 | 0 | 0 | 111 | G39 N40 T41 L45 L46 S47 L61 S65 P285 T289 | G39-I43 WeakPolarHBondContact O-CG1 3.47Å; G39-I43 PolarHBondContact O-N 3.25Å; N40-I43 PolarHBondContact O-N 3.17Å; T41-I43 PolarHBondContact O-N 2.92Å; I43-L45 VanDerWaalsContact C-N 3.31Å; I43-L45 PolarHBondContact O-N 2.82Å; I43-L46 PolarHBondContact O-N 3.44Å; I43-S47 WeakPolarHBondContact O-CB 3.18Å; I43-S47 PolarHBondContact O-N 3.01Å; I43-S47 PolarHBondContact O-OG 3.41Å; I43-S47 VanDerWaalsContact O-OG 3.1Å; I43-L61 HydrophobicContact CD1-CD2 4.48Å; I43-L61 HydrophobicContact CG2-CD2 3.9Å; I43-L61 HydrophobicContact CG2-CG 3.8Å; I43-S65 WeakPolarHBondContact CB-OG 3.36Å; I43-S65 VanDerWaalsContact CG2-OG 3.27Å; I43-S65 WeakPolarHBondContact CG2-OG 3.37Å; I43-P285 HydrophobicContact CD1-CB 3.99Å; I43-P285 HydrophobicContact CD1-CG 4.29Å; I43-T289 HydrophobicContact CD1-CG2 4.3Å; I43-T289 HydrophobicContact CG1-CG2 4.13Å |
| 44 | I | 91.1 | Very high | 84.8 | Confident | 40 Ų | 40 | 57.7 Ų | 57.7 | 21% | 0.205 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.7 | -48.2 | 177.8 | -65.4 | 166 | 0 | 0 | 0 | 110 | N40 T41 L46 S47 V48 F66 L69 | N40-I44 WeakPolarHBondContact O-CG1 3.49Å; N40-I44 PolarHBondContact O-N 3.48Å; T41-I44 PolarHBondContact O-N 2.98Å; I44-L46 PolarHBondContact O-N 2.91Å; I44-S47 PolarHBondContact O-N 3.5Å; I44-V48 WeakPolarHBondContact O-CG2 3.4Å; I44-V48 PolarHBondContact O-N 3.1Å; I44-F66 HydrophobicContact CD1-CB 4.18Å; I44-L69 HydrophobicContact CD1-CD1 3.63Å |
| 45 | L | 89.5 | Confident | 84.1 | Confident | 76 Ų | 76 | 55.8 Ų | 55.8 | 40% | 0.398 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.1 | -45.4 | 179.5 | -173.4 | 68.3 | 0 | 0 | 0 | 111.8 | T41 L42 I43 S47 V48 L49 L302 | T41-L45 VanDerWaalsContact O-CB 3.32Å; T41-L45 WeakPolarHBondContact O-CB 3.5Å; T41-L45 PolarHBondContact O-N 2.6Å; L42-L45 PolarHBondContact O-N 3.29Å; I43-L45 VanDerWaalsContact C-N 3.31Å; I43-L45 PolarHBondContact O-N 2.82Å; L45-S47 PolarHBondContact O-N 3.22Å; L45-V48 PolarHBondContact O-N 2.96Å; L45-L49 HydrophobicContact CD1-CD1 3.67Å; L45-L49 HydrophobicContact CD1-CG 3.97Å; L45-L49 HydrophobicContact CD2-CD1 4.24Å; L45-L49 HydrophobicContact CG-CD1 3.64Å; L45-L49 HydrophobicContact CG-CG 4.19Å; L45-L49 VanDerWaalsContact O-CB 3.32Å; L45-L49 WeakPolarHBondContact O-CB 3.2Å; L45-L49 VanDerWaalsContact O-CG 3.26Å; L45-L49 WeakPolarHBondContact O-CG 3.43Å; L45-L49 PolarHBondContact O-N 3.49Å; L45-L302 HydrophobicContact CD2-CD1 4.26Å; L45-L302 HydrophobicContact CD2-CD2 4.07Å |
| 46 | L | 86.4 | Confident | 83.8 | Confident | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.1 | -39 | 178.3 | -71 | 178.6 | 0 | 0 | 0 | 112.1 | L42 I43 I44 V48 Y50 I295 A298 L299 L302 | L42-L46 HydrophobicContact CD1-CD1 4.15Å; L42-L46 HydrophobicContact CD1-CG 4.05Å; L42-L46 HydrophobicContact CG-CD1 4.01Å; L42-L46 HydrophobicContact CG-CG 4.3Å; L42-L46 WeakPolarHBondContact O-CB 3.44Å; L42-L46 WeakPolarHBondContact O-CG 3.41Å; L42-L46 PolarHBondContact O-N 3.05Å; I43-L46 PolarHBondContact O-N 3.44Å; I44-L46 PolarHBondContact O-N 2.91Å; L46-V48 VanDerWaalsContact C-N 3.32Å; L46-V48 PolarHBondContact O-N 2.89Å; L46-Y50 HydrophobicContact CD2-CD2 3.78Å; L46-Y50 HydrophobicContact CD2-CE2 3.51Å; L46-Y50 PolarHBondContact O-N 3.4Å; L46-I295 HydrophobicContact CD1-CG2 3.81Å; L46-A298 HydrophobicContact CD2-CB 3.96Å; L46-L299 HydrophobicContact CD1-CB 4.44Å; L46-L302 HydrophobicContact CD2-CB 4.19Å; L46-L302 HydrophobicContact CD2-CD2 4.12Å |
| 47 | S | 85.1 | Confident | 83.5 | Confident | 10 Ų | 10 | 53.5 Ų | 53.5 | 7% | 0.07 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.7 | -35.5 | 177.2 | -68.2 | 0 | 0 | 0 | 0 | 112.2 | I43 I44 L45 H54 Y58 | I43-S47 WeakPolarHBondContact O-CB 3.18Å; I43-S47 PolarHBondContact O-N 3.01Å; I43-S47 PolarHBondContact O-OG 3.41Å; I43-S47 VanDerWaalsContact O-OG 3.1Å; I44-S47 PolarHBondContact O-N 3.5Å; L45-S47 PolarHBondContact O-N 3.22Å; S47-H54 PolarHBondContact O-CD2 3.39Å; S47-H54 PolarHBondContact O-NE2 3.1Å; S47-Y58 PolarHBondContact OG-O 2.92Å |
| 48 | V | 84.3 | Confident | 83.2 | Confident | 99 Ų | 99 | 51.5 Ų | 51.5 | 60% | 0.6 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -80.7 | -40.6 | 178.6 | 174.5 | 0 | 0 | 0 | 0 | 112.4 | I44 L45 L46 | I44-V48 WeakPolarHBondContact O-CG2 3.4Å; I44-V48 PolarHBondContact O-N 3.1Å; L45-V48 PolarHBondContact O-N 2.96Å; L46-V48 VanDerWaalsContact C-N 3.32Å; L46-V48 PolarHBondContact O-N 2.89Å |
| 49 | L | 81.8 | Confident | 83.1 | Confident | 92 Ų | 92 | 49 Ų | 49 | 48% | 0.482 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -80.5 | -25.3 | -172.4 | -69.8 | -177.7 | 0 | 0 | 0 | 114.4 | L45 P51 L302 | L45-L49 HydrophobicContact CD1-CD1 3.67Å; L45-L49 HydrophobicContact CD1-CG 3.97Å; L45-L49 HydrophobicContact CD2-CD1 4.24Å; L45-L49 HydrophobicContact CG-CD1 3.64Å; L45-L49 HydrophobicContact CG-CG 4.19Å; L45-L49 VanDerWaalsContact O-CB 3.32Å; L45-L49 WeakPolarHBondContact O-CB 3.2Å; L45-L49 VanDerWaalsContact O-CG 3.26Å; L45-L49 WeakPolarHBondContact O-CG 3.43Å; L45-L49 PolarHBondContact O-N 3.49Å; L49-P51 WeakPolarHBondContact O-CD 3.32Å; L49-L302 HydrophobicContact CD1-CD1 3.66Å |
| 50 | Y | 77.4 | Confident | 83.1 | Confident | 42 Ų | 42 | 48.6 Ų | 48.6 | 17% | 0.165 | 25% | 0.251 | C | S | . | . | trans | -113 | 104.8 | -173.1 | -70 | -78.2 | 0 | 0 | 0 | 111.6 | L46 R52 L53 A298 R301 L302 | L46-Y50 HydrophobicContact CD2-CD2 3.78Å; L46-Y50 HydrophobicContact CD2-CE2 3.51Å; L46-Y50 PolarHBondContact O-N 3.4Å; Y50-R52 PolarHBondContact O-N 3.25Å; Y50-L53 HydrophobicContact CG-CD1 4.36Å; Y50-L53 WeakPolarHBondContact O-CA 3.06Å; Y50-L53 WeakPolarHBondContact O-CB 3.15Å; Y50-L53 PolarHBondContact O-N 3.5Å; Y50-A298 HydrophobicContact CD2-CB 3.88Å; Y50-A298 HydrophobicContact CE2-CB 4.1Å; Y50-A298 HydrophobicContact CG-CB 4.17Å; Y50-A298 PolarHBondContact OH-O 3.02Å; Y50-R301 HydrophobicContact CE1-CB 4.04Å; Y50-R301 VanDerWaalsContact OH-CB 3.31Å; Y50-R301 WeakPolarHBondContact OH-CB 3.48Å; Y50-L302 HydrophobicContact CE2-CB 4.5Å; Y50-L302 HydrophobicContact CE2-CD1 4.35Å; Y50-L302 WeakPolarHBondContact OH-CA 3.49Å; Y50-L302 PolarHBondContact OH-N 3.37Å; Y50-L302 VanDerWaalsContact OH-N 3.09Å | ||
| 51 | P | 64.7 | Low | 83 | Confident | 96 Ų | 96 | 48.8 Ų | 48.8 | 62% | 0.623 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -59 | -25.8 | 179 | -24.1 | 31.7 | 0 | 0 | 0 | 113.7 | L49 L53 H54 | L49-P51 WeakPolarHBondContact O-CD 3.32Å; P51-L53 PolarHBondContact O-N 3.41Å; P51-H54 WeakPolarHBondContact O-CB 3.5Å; P51-H54 PolarHBondContact O-N 2.9Å |
| 52 | R | 63.9 | Low | 83 | Confident | 169 Ų | 169 | 46.2 Ų | 46.2 | 64% | 0.638 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -66.4 | -20.2 | 175.4 | -60.8 | -169.5 | -165.4 | -167 | 4.3 | 112.6 | Y50 | Y50-R52 PolarHBondContact O-N 3.25Š|
| 53 | L | 65.3 | Low | 83.2 | Confident | 9 Ų | 9 | 45.8 Ų | 45.8 | 5% | 0.047 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -92.4 | 3.9 | 172.5 | -79.2 | 89.3 | 0 | 0 | 0 | 112.1 | Y50 P51 S55 Y58 I295 A298 | Y50-L53 HydrophobicContact CG-CD1 4.36Å; Y50-L53 WeakPolarHBondContact O-CA 3.06Å; Y50-L53 WeakPolarHBondContact O-CB 3.15Å; Y50-L53 PolarHBondContact O-N 3.5Å; P51-L53 PolarHBondContact O-N 3.41Å; L53-S55 PolarHBondContact O-N 2.73Å; L53-Y58 HydrophobicContact CB-CD2 3.83Å; L53-Y58 HydrophobicContact CB-CE2 4.08Å; L53-Y58 HydrophobicContact CB-CG 4.09Å; L53-Y58 HydrophobicContact CD2-CD1 3.81Å; L53-Y58 HydrophobicContact CD2-CD2 4.23Å; L53-Y58 HydrophobicContact CD2-CE1 3.49Å; L53-Y58 VanDerWaalsContact CD2-CE1 3.49Å; L53-Y58 HydrophobicContact CD2-CE2 3.96Å; L53-Y58 HydrophobicContact CD2-CG 4.18Å; L53-Y58 HydrophobicContact CG-CD1 4.49Å; L53-Y58 HydrophobicContact CG-CD2 4.05Å; L53-Y58 HydrophobicContact CG-CE1 4.26Å; L53-Y58 HydrophobicContact CG-CE2 3.79Å; L53-Y58 HydrophobicContact CG-CG 4.41Å; L53-Y58 WeakPolarHBondContact O-CB 3.35Å; L53-Y58 WeakPolarHBondContact O-CD2 3.17Å; L53-I295 HydrophobicContact CD2-CG1 4.27Å; L53-A298 HydrophobicContact CD1-CB 3.81Å |
| 54 | H | 66.4 | Low | 83.4 | Confident | 133 Ų | 133 | 45.6 Ų | 45.6 | 62% | 0.616 | 24% | 0.235 | S | C | * | . | trans | -72.2 | 44.2 | 172.3 | -73.2 | -172.5 | 0 | 0 | 0 | 112.9 | S47 P51 | S47-H54 PolarHBondContact O-CD2 3.39Å; S47-H54 PolarHBondContact O-NE2 3.1Å; P51-H54 WeakPolarHBondContact O-CB 3.5Å; P51-H54 PolarHBondContact O-N 2.9Å | ||
| 55 | S | 80.1 | Confident | 83.6 | Confident | 38 Ų | 38 | 43.8 Ų | 43.8 | 27% | 0.266 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -83.9 | 149.1 | 165.5 | 86.2 | 0 | 0 | 0 | 0 | 109.6 | L53 M57 Y58 F59 | L53-S55 PolarHBondContact O-N 2.73Å; S55-M57 PolarHBondContact O-N 2.95Å; S55-M57 VanDerWaalsContact O-N 3.1Å; S55-Y58 PolarHBondContact O-N 3.27Å; S55-Y58 WeakPolarHBondContact OG-CD2 3.31Å; S55-F59 PolarHBondContact O-N 3.44Å |
| 56 | P | 85.8 | Confident | 83.8 | Confident | 21 Ų | 21 | 45.2 Ų | 45.2 | 14% | 0.136 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -46.3 | -40 | 174.3 | -33.3 | 38.2 | 0 | 0 | 0 | 115 | Y58 F59 F60 Y130 I134 | P56-Y58 VanDerWaalsContact C-N 3.33Å; P56-Y58 PolarHBondContact O-N 3.02Å; P56-F59 WeakPolarHBondContact O-CB 3.04Å; P56-F59 PolarHBondContact O-N 3.47Å; P56-F60 WeakPolarHBondContact O-CD2 3.37Å; P56-F60 PolarHBondContact O-N 3.36Å; P56-F60 VanDerWaalsContact O-N 3.13Å; P56-Y130 WeakPolarHBondContact CG-OH 3.16Å; P56-I134 HydrophobicContact CB-CG2 3.33Å; P56-I134 HydrophobicContact CG-CB 4.34Å; P56-I134 HydrophobicContact CG-CG2 3.44Å; P56-I134 VanDerWaalsContact CG-CG2 3.44Å |
| 57 | M | 87.9 | Confident | 84.3 | Confident | 14 Ų | 14 | 45.1 Ų | 45.1 | 7% | 0.069 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.4 | -38.9 | 177.8 | -177.7 | 69.7 | 176.2 | 0 | 0 | 113.5 | S55 F60 L61 M116 R120 H242 Y288 | S55-M57 PolarHBondContact O-N 2.95Å; S55-M57 VanDerWaalsContact O-N 3.1Å; M57-F60 PolarHBondContact O-N 2.73Å; M57-L61 VanDerWaalsContact O-CB 3.27Å; M57-L61 WeakPolarHBondContact O-CB 3.47Å; M57-L61 PolarHBondContact O-N 3.43Å; M57-M116 HydrophobicContact CE-CE 3.34Å; M57-M116 HydrophobicContact SD-CB 4.22Å; M57-M116 HydrophobicContact SD-CE 3.68Å; M57-M116 HydrophobicContact SD-CG 4.26Å; M57-R120 VanDerWaalsContact CB-NH2 3.33Å; M57-H242 HydrophobicContact CE-CB 4.48Å; M57-Y288 HydrophobicContact CE-CE1 3.82Å |
| 58 | Y | 86.8 | Confident | 84.7 | Confident | 10 Ų | 10 | 44.6 Ų | 44.6 | 4% | 0.039 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -77.1 | -26.9 | 179.9 | -74 | -67.1 | 0 | 0 | 0 | 112.1 | S47 L53 S55 P56 L61 S62 N292 E294 I295 | S47-Y58 PolarHBondContact OG-O 2.92Å; L53-Y58 HydrophobicContact CB-CD2 3.83Å; L53-Y58 HydrophobicContact CB-CE2 4.08Å; L53-Y58 HydrophobicContact CB-CG 4.09Å; L53-Y58 HydrophobicContact CD2-CD1 3.81Å; L53-Y58 HydrophobicContact CD2-CD2 4.23Å; L53-Y58 HydrophobicContact CD2-CE1 3.49Å; L53-Y58 VanDerWaalsContact CD2-CE1 3.49Å; L53-Y58 HydrophobicContact CD2-CE2 3.96Å; L53-Y58 HydrophobicContact CD2-CG 4.18Å; L53-Y58 HydrophobicContact CG-CD1 4.49Å; L53-Y58 HydrophobicContact CG-CD2 4.05Å; L53-Y58 HydrophobicContact CG-CE1 4.26Å; L53-Y58 HydrophobicContact CG-CE2 3.79Å; L53-Y58 HydrophobicContact CG-CG 4.41Å; L53-Y58 WeakPolarHBondContact O-CB 3.35Å; L53-Y58 WeakPolarHBondContact O-CD2 3.17Å; S55-Y58 PolarHBondContact O-N 3.27Å; S55-Y58 WeakPolarHBondContact OG-CD2 3.31Å; P56-Y58 VanDerWaalsContact C-N 3.33Å; P56-Y58 PolarHBondContact O-N 3.02Å; Y58-L61 HydrophobicContact CD1-CD2 4.03Å; Y58-L61 HydrophobicContact CE1-CD2 4.35Å; Y58-L61 PolarHBondContact O-N 3.22Å; Y58-S62 WeakPolarHBondContact O-CB 3.37Å; Y58-S62 PolarHBondContact O-N 3.46Å; Y58-N292 PolarHBondContact OH-ND2 2.87Å; Y58-E294 PolarHBondContact OH-OE2 2.98Å; Y58-I295 HydrophobicContact CE1-CD1 3.66Å; Y58-I295 HydrophobicContact CE1-CG1 3.6Å; Y58-I295 WeakPolarHBondContact OH-CG1 3.41Å |
| 59 | F | 90.6 | Very high | 85.3 | Confident | 50 Ų | 50 | 41.1 Ų | 41.1 | 22% | 0.219 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.6 | -53 | 168.2 | 169.5 | -96 | 0 | 0 | 0 | 110.2 | S55 P56 L61 S62 D63 C139 W140 A143 | S55-F59 PolarHBondContact O-N 3.44Å; P56-F59 WeakPolarHBondContact O-CB 3.04Å; P56-F59 PolarHBondContact O-N 3.47Å; F59-L61 VanDerWaalsContact C-N 3.31Å; F59-L61 PolarHBondContact O-N 2.73Å; F59-S62 WeakPolarHBondContact O-CB 3.49Å; F59-S62 PolarHBondContact O-N 3.12Å; F59-D63 PolarHBondContact O-N 3.08Å; F59-D63 VanDerWaalsContact O-N 3.11Å; F59-C139 HydrophobicContact CD1-CB 3.72Å; F59-C139 HydrophobicContact CE1-CB 3.83Å; F59-C139 WeakPolarHBondContact CE1-O 3.38Å; F59-W140 AromaticContact CE2-CD2 3.88Å; F59-W140 HydrophobicContact CE2-CD2 3.88Å; F59-W140 AromaticContact CE2-CE2 3.61Å; F59-W140 HydrophobicContact CE2-CE3 4.1Å; F59-W140 AromaticContact CE2-CH2 3.86Å; F59-W140 HydrophobicContact CE2-CH2 3.86Å; F59-W140 AromaticContact CE2-CZ2 3.62Å; F59-W140 HydrophobicContact CE2-CZ2 3.62Å; F59-W140 HydrophobicContact CE2-CZ3 4.09Å; F59-W140 AromaticContact CZ-CD2 3.71Å; F59-W140 HydrophobicContact CZ-CD2 3.71Å; F59-W140 AromaticContact CZ-CE2 3.96Å; F59-W140 AromaticContact CZ-CE3 3.76Å; F59-W140 HydrophobicContact CZ-CE3 3.76Å; F59-W140 HydrophobicContact CZ-CG 4.21Å; F59-W140 HydrophobicContact CZ-CH2 4.31Å; F59-W140 HydrophobicContact CZ-CZ2 4.27Å; F59-W140 HydrophobicContact CZ-CZ3 4.06Å; F59-A143 HydrophobicContact CE1-CB 3.87Å; F59-A143 HydrophobicContact CZ-CB 4.06Å |
| 60 | F | 92.4 | Very high | 85.9 | Confident | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.009 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.5 | -35.3 | 176.3 | -63.2 | -59.2 | 0 | 0 | 0 | 112.9 | P56 M57 S62 D63 L64 L112 V115 M116 C139 L142 | P56-F60 WeakPolarHBondContact O-CD2 3.37Å; P56-F60 PolarHBondContact O-N 3.36Å; P56-F60 VanDerWaalsContact O-N 3.13Å; M57-F60 PolarHBondContact O-N 2.73Å; F60-S62 VanDerWaalsContact C-N 3.33Å; F60-S62 PolarHBondContact O-N 3.19Å; F60-D63 PolarHBondContact O-N 3.31Å; F60-L64 WeakPolarHBondContact O-CB 3.17Å; F60-L64 PolarHBondContact O-N 3.49Å; F60-L112 HydrophobicContact CD1-CD2 4.07Å; F60-V115 HydrophobicContact CD1-CG1 4Å; F60-V115 HydrophobicContact CD2-CG1 4.1Å; F60-V115 HydrophobicContact CE1-CG1 3.46Å; F60-V115 VanDerWaalsContact CE1-CG1 3.46Å; F60-V115 HydrophobicContact CE2-CG1 3.57Å; F60-V115 HydrophobicContact CG-CG1 4.3Å; F60-V115 HydrophobicContact CZ-CG1 3.21Å; F60-M116 HydrophobicContact CB-CG 3.57Å; F60-M116 HydrophobicContact CB-SD 4.05Å; F60-M116 HydrophobicContact CD2-CG 4.44Å; F60-M116 HydrophobicContact CG-CG 4.21Å; F60-C139 HydrophobicContact CE1-CB 4.44Å; F60-C139 HydrophobicContact CE2-CB 4.4Å; F60-C139 HydrophobicContact CZ-CB 3.88Å; F60-L142 HydrophobicContact CE1-CB 4.31Å; F60-L142 HydrophobicContact CZ-CB 4.34Å; F60-L142 HydrophobicContact CZ-CD1 4.34Å |
| 61 | L | 91.1 | Very high | 86.6 | Confident | 3 Ų | 3 | 36.9 Ų | 36.9 | 2% | 0.016 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.8 | -36.4 | 175.6 | -173.4 | 64.8 | 0 | 0 | 0 | 112 | I43 M57 Y58 F59 D63 L64 S65 M116 Y288 | I43-L61 HydrophobicContact CD1-CD2 4.48Å; I43-L61 HydrophobicContact CG2-CD2 3.9Å; I43-L61 HydrophobicContact CG2-CG 3.8Å; M57-L61 VanDerWaalsContact O-CB 3.27Å; M57-L61 WeakPolarHBondContact O-CB 3.47Å; M57-L61 PolarHBondContact O-N 3.43Å; Y58-L61 HydrophobicContact CD1-CD2 4.03Å; Y58-L61 HydrophobicContact CE1-CD2 4.35Å; Y58-L61 PolarHBondContact O-N 3.22Å; F59-L61 VanDerWaalsContact C-N 3.31Å; F59-L61 PolarHBondContact O-N 2.73Å; L61-D63 VanDerWaalsContact C-N 3.33Å; L61-L64 HydrophobicContact CD1-CD2 4.39Å; L61-L64 PolarHBondContact O-N 3.26Å; L61-S65 WeakPolarHBondContact O-CB 3.38Å; L61-S65 PolarHBondContact O-N 2.9Å; L61-S65 PolarHBondContact O-OG 2.83Å; L61-M116 HydrophobicContact CB-CE 4.33Å; L61-M116 HydrophobicContact CD1-CE 4.23Å; L61-Y288 HydrophobicContact CD1-CD1 4.08Å; L61-Y288 HydrophobicContact CD1-CD2 3.29Å; L61-Y288 HydrophobicContact CD1-CE1 4.14Å; L61-Y288 HydrophobicContact CD1-CE2 3.36Å; L61-Y288 HydrophobicContact CD1-CG 3.68Å; L61-Y288 HydrophobicContact CD2-CD1 4.27Å; L61-Y288 HydrophobicContact CD2-CD2 4.44Å; L61-Y288 HydrophobicContact CD2-CG 4.02Å; L61-Y288 HydrophobicContact CG-CD2 4.49Å |
| 62 | S | 92.1 | Very high | 88 | Confident | 24 Ų | 24 | 32.3 Ų | 32.3 | 17% | 0.168 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.9 | -38.6 | 174.4 | -169.3 | 0 | 0 | 0 | 0 | 111.5 | Y58 F59 F60 S65 F66 | Y58-S62 WeakPolarHBondContact O-CB 3.37Å; Y58-S62 PolarHBondContact O-N 3.46Å; F59-S62 WeakPolarHBondContact O-CB 3.49Å; F59-S62 PolarHBondContact O-N 3.12Å; F60-S62 VanDerWaalsContact C-N 3.33Å; F60-S62 PolarHBondContact O-N 3.19Å; S62-S65 PolarHBondContact O-N 2.99Å; S62-F66 PolarHBondContact O-N 3.44Å |
| 63 | D | 94.4 | Very high | 89.4 | Confident | 28 Ų | 28 | 27.4 Ų | 27.4 | 15% | 0.15 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.9 | -45.2 | 175.8 | -153.2 | 82.1 | 0 | 0 | 0 | 111 | F59 F60 L61 S65 F66 L67 L112 W147 | F59-D63 PolarHBondContact O-N 3.08Å; F59-D63 VanDerWaalsContact O-N 3.11Å; F60-D63 PolarHBondContact O-N 3.31Å; L61-D63 VanDerWaalsContact C-N 3.33Å; D63-S65 VanDerWaalsContact C-N 3.35Å; D63-S65 PolarHBondContact O-N 3.29Å; D63-F66 PolarHBondContact O-N 3.41Å; D63-L67 WeakPolarHBondContact O-CB 3.25Å; D63-L67 PolarHBondContact O-N 3Å; D63-L112 HydrophobicContact CB-CD1 4.25Å; D63-L112 VanDerWaalsContact OD2-CD1 3.28Å; D63-L112 WeakPolarHBondContact OD2-CD1 3.48Å; D63-W147 PolarHBondContact OD1-NE1 3.5Å; D63-W147 PolarHBondContact OD2-NE1 3.4Å |
| 64 | L | 94.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.7 | -42 | 173.6 | -176.1 | 66.4 | 0 | 0 | 0 | 111.9 | F60 L61 L67 D68 E109 L113 M116 Y288 | F60-L64 WeakPolarHBondContact O-CB 3.17Å; F60-L64 PolarHBondContact O-N 3.49Å; L61-L64 HydrophobicContact CD1-CD2 4.39Å; L61-L64 PolarHBondContact O-N 3.26Å; L64-L67 WeakPolarHBondContact O-CB 3.25Å; L64-L67 PolarHBondContact O-N 3.28Å; L64-D68 WeakPolarHBondContact O-CB 3.06Å; L64-D68 PolarHBondContact O-N 3.11Å; L64-E109 HydrophobicContact CD1-CB 4.36Å; L64-E109 HydrophobicContact CD1-CG 3.69Å; L64-L113 HydrophobicContact CD2-CD2 4.25Å; L64-M116 HydrophobicContact CD2-SD 4.28Å; L64-Y288 HydrophobicContact CD2-CE2 4.38Å |
| 65 | S | 94.8 | Very high | 91.8 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.007 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -66 | -37 | 175.7 | -78.2 | 0 | 0 | 0 | 0 | 112.7 | N40 I43 L61 S62 D63 L69 | N40-S65 WeakPolarHBondContact OD1-CA 3.4Å; N40-S65 VanDerWaalsContact OD1-CB 3.31Å; N40-S65 WeakPolarHBondContact OD1-CB 3.08Å; N40-S65 PolarHBondContact OD1-OG 3.32Å; I43-S65 WeakPolarHBondContact CB-OG 3.36Å; I43-S65 VanDerWaalsContact CG2-OG 3.27Å; I43-S65 WeakPolarHBondContact CG2-OG 3.37Å; L61-S65 WeakPolarHBondContact O-CB 3.38Å; L61-S65 PolarHBondContact O-N 2.9Å; L61-S65 PolarHBondContact O-OG 2.83Å; S62-S65 PolarHBondContact O-N 2.99Å; D63-S65 VanDerWaalsContact C-N 3.35Å; D63-S65 PolarHBondContact O-N 3.29Å; S65-L69 VanDerWaalsContact O-CG 3.28Å; S65-L69 WeakPolarHBondContact O-CG 3.31Å; S65-L69 PolarHBondContact O-N 2.85Å; S65-L69 VanDerWaalsContact O-N 3.15Å |
| 66 | F | 95.2 | Very high | 92.3 | Very high | 106 Ų | 106 | 20.5 Ų | 20.5 | 47% | 0.465 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -65.4 | -44.4 | 173.7 | 174.4 | -104 | 0 | 0 | 0 | 111 | I44 S62 D63 D68 L69 C70 W147 | I44-F66 HydrophobicContact CD1-CB 4.18Å; S62-F66 PolarHBondContact O-N 3.44Å; D63-F66 PolarHBondContact O-N 3.41Å; F66-D68 PolarHBondContact O-N 3.26Å; F66-L69 WeakPolarHBondContact O-CB 3.46Å; F66-L69 PolarHBondContact O-N 3.07Å; F66-C70 VanDerWaalsContact CZ-SG 3.56Å; F66-C70 PolarHBondContact O-N 2.89Å; F66-C70 PolarHBondContact O-SG 3.31Å; F66-C70 VanDerWaalsContact O-SG 3.42Å; F66-W147 HydrophobicContact CD1-CH2 4.25Å; F66-W147 HydrophobicContact CD1-CZ2 4.11Å; F66-W147 HydrophobicContact CE1-CH2 4.19Å; F66-W147 HydrophobicContact CE1-CZ2 4.37Å |
| 67 | L | 95.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -56.5 | -49.4 | 174.2 | -172.5 | 167.3 | 0 | 0 | 0 | 111.1 | D63 L64 L69 C70 F71 L105 T108 E109 L112 | D63-L67 WeakPolarHBondContact O-CB 3.25Å; D63-L67 PolarHBondContact O-N 3Å; L64-L67 WeakPolarHBondContact O-CB 3.25Å; L64-L67 PolarHBondContact O-N 3.28Å; L67-L69 VanDerWaalsContact C-N 3.3Å; L67-L69 PolarHBondContact O-N 3.31Å; L67-C70 PolarHBondContact O-N 3.03Å; L67-C70 VanDerWaalsContact O-N 3.15Å; L67-F71 HydrophobicContact CD2-CB 4.36Å; L67-F71 VanDerWaalsContact O-CB 3.24Å; L67-F71 WeakPolarHBondContact O-CB 3.36Å; L67-F71 PolarHBondContact O-N 3.29Å; L67-L105 WeakPolarHBondContact CD1-O 3.26Å; L67-L105 HydrophobicContact CD2-CB 3.91Å; L67-L105 HydrophobicContact CG-CB 4.06Å; L67-L105 HydrophobicContact CG-CD2 4.06Å; L67-T108 HydrophobicContact CD1-CG2 3.76Å; L67-E109 HydrophobicContact CD1-CB 3.89Å; L67-E109 HydrophobicContact CD2-CB 4.06Å; L67-L112 HydrophobicContact CD1-CD1 3.94Å |
| 68 | D | 94.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -56.9 | -40.8 | 177.8 | -82.6 | -16.3 | 0 | 0 | 0 | 112.5 | T36 N40 L64 F66 T72 P281 N284 | T36-D68 HydrophobicContact CG2-CB 4.41Å; N40-D68 PolarHBondContact OD1-OD2 2.91Å; L64-D68 WeakPolarHBondContact O-CB 3.06Å; L64-D68 PolarHBondContact O-N 3.11Å; F66-D68 PolarHBondContact O-N 3.26Å; D68-T72 WeakPolarHBondContact O-CB 3.3Å; D68-T72 WeakPolarHBondContact O-CG2 3.27Å; D68-T72 PolarHBondContact O-N 3.43Å; D68-T72 PolarHBondContact O-OG1 2.84Å; D68-P281 HydrophobicContact CB-CB 3.96Å; D68-N284 PolarHBondContact OD2-ND2 2.97Å |
| 69 | L | 95.2 | Very high | 92.8 | Very high | 25 Ų | 25 | 24.4 Ų | 24.4 | 13% | 0.131 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65.1 | -46.8 | 176.3 | -69.6 | 171.7 | 0 | 0 | 0 | 111.3 | L37 N40 I44 S65 F66 L67 T72 T73 | L37-L69 HydrophobicContact CD2-CD2 3.74Å; N40-L69 HydrophobicContact CB-CD1 4.28Å; N40-L69 HydrophobicContact CB-CD2 3.94Å; N40-L69 HydrophobicContact CB-CG 3.81Å; I44-L69 HydrophobicContact CD1-CD1 3.63Å; S65-L69 VanDerWaalsContact O-CG 3.28Å; S65-L69 WeakPolarHBondContact O-CG 3.31Å; S65-L69 PolarHBondContact O-N 2.85Å; S65-L69 VanDerWaalsContact O-N 3.15Å; F66-L69 WeakPolarHBondContact O-CB 3.46Å; F66-L69 PolarHBondContact O-N 3.07Å; L67-L69 VanDerWaalsContact C-N 3.3Å; L67-L69 PolarHBondContact O-N 3.31Å; L69-T72 PolarHBondContact O-OG1 3.13Å; L69-T73 WeakPolarHBondContact O-CB 3.35Å; L69-T73 PolarHBondContact O-N 2.89Å; L69-T73 PolarHBondContact O-OG1 3.35Å |
| 70 | C | 95.1 | Very high | 92.8 | Very high | 43 Ų | 43 | 23 Ų | 23 | 29% | 0.291 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -63.8 | -43.6 | 177.2 | -69 | 0 | 0 | 0 | 0 | 111.4 | F66 L67 S74 L105 | F66-C70 VanDerWaalsContact CZ-SG 3.56Å; F66-C70 PolarHBondContact O-N 2.89Å; F66-C70 PolarHBondContact O-SG 3.31Å; F66-C70 VanDerWaalsContact O-SG 3.42Å; L67-C70 PolarHBondContact O-N 3.03Å; L67-C70 VanDerWaalsContact O-N 3.15Å; C70-S74 WeakPolarHBondContact O-CB 3.28Å; C70-S74 PolarHBondContact O-N 3.39Å; C70-L105 HydrophobicContact CB-CD1 3.6Å; C70-L105 HydrophobicContact CB-CD2 4.33Å |
| 71 | F | 93 | Very high | 92.7 | Very high | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.009 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.5 | -57.4 | -177.9 | -169.4 | -74.3 | 0 | 0 | 0 | 109.9 | L67 T73 S74 C75 F102 L105 Y276 A277 | L67-F71 HydrophobicContact CD2-CB 4.36Å; L67-F71 VanDerWaalsContact O-CB 3.24Å; L67-F71 WeakPolarHBondContact O-CB 3.36Å; L67-F71 PolarHBondContact O-N 3.29Å; F71-T73 PolarHBondContact O-N 3.12Å; F71-S74 PolarHBondContact O-N 2.9Å; F71-S74 PolarHBondContact O-OG 3.13Å; F71-C75 PolarHBondContact O-SG 3.48Å; F71-C75 VanDerWaalsContact O-SG 3.34Å; F71-F102 HydrophobicContact CD1-CE2 4.2Å; F71-F102 HydrophobicContact CD1-CZ 4.21Å; F71-F102 HydrophobicContact CE1-CD1 4.4Å; F71-F102 HydrophobicContact CE1-CD2 4.34Å; F71-F102 AromaticContact CE1-CE1 3.68Å; F71-F102 HydrophobicContact CE1-CE1 3.68Å; F71-F102 AromaticContact CE1-CE2 3.6Å; F71-F102 HydrophobicContact CE1-CE2 3.6Å; F71-F102 AromaticContact CE1-CZ 3.25Å; F71-F102 HydrophobicContact CE1-CZ 3.25Å; F71-F102 HydrophobicContact CE2-CD1 4.18Å; F71-F102 HydrophobicContact CE2-CD2 4.18Å; F71-F102 HydrophobicContact CE2-CE1 4.26Å; F71-F102 HydrophobicContact CE2-CE2 4.24Å; F71-F102 HydrophobicContact CE2-CG 4.14Å; F71-F102 HydrophobicContact CE2-CZ 4.31Å; F71-F102 AromaticContact CZ-CD1 3.59Å; F71-F102 HydrophobicContact CZ-CD1 3.59Å; F71-F102 AromaticContact CZ-CD2 3.93Å; F71-F102 HydrophobicContact CZ-CD2 3.93Å; F71-F102 AromaticContact CZ-CE1 3.27Å; F71-F102 HydrophobicContact CZ-CE1 3.27Å; F71-F102 AromaticContact CZ-CE2 3.61Å; F71-F102 HydrophobicContact CZ-CE2 3.61Å; F71-F102 AromaticContact CZ-CG 3.91Å; F71-F102 HydrophobicContact CZ-CG 3.91Å; F71-F102 AromaticContact CZ-CZ 3.3Å; F71-F102 HydrophobicContact CZ-CZ 3.3Å; F71-L105 VanDerWaalsContact CA-CD1 3.49Å; F71-L105 HydrophobicContact CB-CB 4.49Å; F71-L105 HydrophobicContact CB-CD1 3.91Å; F71-L105 HydrophobicContact CD2-CB 3.74Å; F71-L105 HydrophobicContact CD2-CD1 4.36Å; F71-L105 VanDerWaalsContact N-CD1 3.32Å; F71-Y276 HydrophobicContact CE1-CE2 4.45Å; F71-Y276 HydrophobicContact CE2-CE2 4.49Å; F71-Y276 HydrophobicContact CZ-CD2 4.15Å; F71-Y276 AromaticContact CZ-CE2 3.68Å; F71-Y276 HydrophobicContact CZ-CE2 3.68Å; F71-A277 HydrophobicContact CE1-CB 3.9Å |
| 72 | T | 93.2 | Very high | 92.5 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.006 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.8 | -38.4 | -178.2 | 53.9 | 0 | 0 | 0 | 0 | 112.5 | T36 D68 L69 S74 C75 V76 P281 | T36-T72 HydrophobicContact CG2-CG2 3.83Å; D68-T72 WeakPolarHBondContact O-CB 3.3Å; D68-T72 WeakPolarHBondContact O-CG2 3.27Å; D68-T72 PolarHBondContact O-N 3.43Å; D68-T72 PolarHBondContact O-OG1 2.84Å; L69-T72 PolarHBondContact O-OG1 3.13Å; T72-S74 VanDerWaalsContact C-N 3.25Å; T72-S74 PolarHBondContact O-N 3.23Å; T72-C75 PolarHBondContact O-N 2.93Å; T72-V76 HydrophobicContact CG2-CG2 4.41Å; T72-V76 WeakPolarHBondContact O-CB 3.34Å; T72-V76 WeakPolarHBondContact O-CG2 3.27Å; T72-V76 PolarHBondContact O-N 2.75Å; T72-P281 HydrophobicContact CG2-CB 3.69Å; T72-P281 HydrophobicContact CG2-CG 3.86Å |
| 73 | T | 93.7 | Very high | 92.3 | Very high | 66 Ų | 66 | 27.4 Ų | 27.4 | 41% | 0.405 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -68.1 | -26.5 | 178.7 | -58 | 0 | 0 | 0 | 0 | 112.5 | Y33 L69 F71 P77 | Y33-T73 PolarHBondContact OH-OG1 3.37Å; L69-T73 WeakPolarHBondContact O-CB 3.35Å; L69-T73 PolarHBondContact O-N 2.89Å; L69-T73 PolarHBondContact O-OG1 3.35Å; F71-T73 PolarHBondContact O-N 3.12Å; T73-P77 VanDerWaalsContact O-CD 3.24Å; T73-P77 WeakPolarHBondContact O-CD 3.36Å; T73-P77 WeakPolarHBondContact O-CG 3.37Å |
| 74 | S | 91.3 | Very high | 91.9 | Very high | 33 Ų | 33 | 35.1 Ų | 35.1 | 23% | 0.231 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -72.7 | -27.8 | 178.7 | 74.7 | 0 | 0 | 0 | 0 | 114.1 | C70 F71 T72 | C70-S74 WeakPolarHBondContact O-CB 3.28Å; C70-S74 PolarHBondContact O-N 3.39Å; F71-S74 PolarHBondContact O-N 2.9Å; F71-S74 PolarHBondContact O-OG 3.13Å; T72-S74 VanDerWaalsContact C-N 3.25Å; T72-S74 PolarHBondContact O-N 3.23Å |
| 75 | C | 89.9 | Confident | 91.2 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.007 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -119.8 | -38.1 | -174.1 | 59.4 | 0 | 0 | 0 | 0 | 114.9 | F71 T72 Q78 M79 F102 L176 | F71-C75 PolarHBondContact O-SG 3.48Å; F71-C75 VanDerWaalsContact O-SG 3.34Å; T72-C75 PolarHBondContact O-N 2.93Å; C75-Q78 PolarHBondContact O-N 3.19Å; C75-M79 WeakPolarHBondContact O-CB 3.1Å; C75-M79 PolarHBondContact O-N 3.33Å; C75-F102 HydrophobicContact CB-CD2 4.5Å; C75-F102 HydrophobicContact CB-CE2 3.34Å; C75-F102 HydrophobicContact CB-CZ 3.54Å; C75-F102 WeakPolarHBondContact SG-CE2 3.27Å; C75-F102 WeakPolarHBondContact SG-CZ 3.36Å; C75-L176 HydrophobicContact CB-CD2 3.6Å |
| 76 | V | 92 | Very high | 90.4 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.6 | -41.3 | -169.4 | 178.3 | 0 | 0 | 0 | 0 | 112.4 | V29 Y33 T72 Q78 M79 L80 V278 | V29-V76 HydrophobicContact CG1-CG1 3.49Å; V29-V76 VanDerWaalsContact CG1-CG1 3.49Å; Y33-V76 HydrophobicContact CD1-CG1 4.38Å; Y33-V76 HydrophobicContact CD2-CB 3.94Å; Y33-V76 HydrophobicContact CD2-CG1 3.92Å; Y33-V76 HydrophobicContact CD2-CG2 4.3Å; Y33-V76 HydrophobicContact CE2-CB 4.35Å; Y33-V76 HydrophobicContact CG-CB 4.31Å; Y33-V76 HydrophobicContact CG-CG1 3.77Å; T72-V76 HydrophobicContact CG2-CG2 4.41Å; T72-V76 WeakPolarHBondContact O-CB 3.34Å; T72-V76 WeakPolarHBondContact O-CG2 3.27Å; T72-V76 PolarHBondContact O-N 2.75Å; V76-Q78 VanDerWaalsContact C-N 3.34Å; V76-Q78 PolarHBondContact O-N 3.1Å; V76-M79 HydrophobicContact CG1-CE 4.47Å; V76-M79 HydrophobicContact CG2-CE 4.12Å; V76-M79 PolarHBondContact O-N 3.35Å; V76-L80 HydrophobicContact CG1-CD1 3.81Å; V76-L80 HydrophobicContact CG1-CG 4.01Å; V76-L80 WeakPolarHBondContact O-CB 3.33Å; V76-L80 VanDerWaalsContact O-CG 3.31Å; V76-L80 WeakPolarHBondContact O-CG 3.45Å; V76-L80 PolarHBondContact O-N 2.92Å; V76-V278 HydrophobicContact CG2-CG2 4.05Å |
| 77 | P | 91.3 | Very high | 89.5 | Confident | 54 Ų | 54 | 45 Ų | 45 | 35% | 0.351 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -57.2 | -46 | 176.5 | -26.8 | 36.4 | 0 | 0 | 0 | 112.8 | T73 L80 V81 | T73-P77 VanDerWaalsContact O-CD 3.24Å; T73-P77 WeakPolarHBondContact O-CD 3.36Å; T73-P77 WeakPolarHBondContact O-CG 3.37Å; P77-L80 PolarHBondContact O-N 3.41Å; P77-V81 WeakPolarHBondContact O-CG2 3.46Å; P77-V81 PolarHBondContact O-N 3.24Å; P77-V81 VanDerWaalsContact O-N 3.09Å |
| 78 | Q | 89.4 | Confident | 88.9 | Confident | 69 Ų | 69 | 46.5 Ų | 46.5 | 32% | 0.322 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -66.3 | -40.9 | 177.9 | -173.9 | 62 | 43.4 | 0 | 0 | 111.4 | C75 V76 L80 V81 N82 T89 I90 | C75-Q78 PolarHBondContact O-N 3.19Å; V76-Q78 VanDerWaalsContact C-N 3.34Å; V76-Q78 PolarHBondContact O-N 3.1Å; Q78-L80 VanDerWaalsContact C-N 3.34Å; Q78-L80 PolarHBondContact O-N 2.95Å; Q78-V81 PolarHBondContact O-N 3.49Å; Q78-N82 PolarHBondContact NE2-OD1 2.87Å; Q78-N82 VanDerWaalsContact NE2-OD1 3.14Å; Q78-N82 VanDerWaalsContact O-CG 3.25Å; Q78-N82 PolarHBondContact O-N 3.18Å; Q78-T89 PolarHBondContact NE2-O 3.02Å; Q78-I90 HydrophobicContact CG-CD1 4.35Å |
| 79 | M | 89.4 | Confident | 88.5 | Confident | 5 Ų | 5 | 49.8 Ų | 49.8 | 3% | 0.025 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.1 | -42 | 176 | 179.6 | 165.5 | 65.7 | 0 | 0 | 111.9 | V29 C75 V76 N82 L83 F175 L274 V278 | V29-M79 HydrophobicContact CB-CE 4.31Å; V29-M79 HydrophobicContact CG1-CE 3.39Å; V29-M79 HydrophobicContact CG2-CE 3.87Å; C75-M79 WeakPolarHBondContact O-CB 3.1Å; C75-M79 PolarHBondContact O-N 3.33Å; V76-M79 HydrophobicContact CG1-CE 4.47Å; V76-M79 HydrophobicContact CG2-CE 4.12Å; V76-M79 PolarHBondContact O-N 3.35Å; M79-N82 PolarHBondContact O-N 3.43Å; M79-L83 HydrophobicContact CG-CD1 3.9Å; M79-L83 HydrophobicContact CG-CG 4.34Å; M79-L83 WeakPolarHBondContact O-CB 3.47Å; M79-L83 VanDerWaalsContact O-CG 3.26Å; M79-L83 WeakPolarHBondContact O-CG 3.5Å; M79-L83 PolarHBondContact O-N 2.85Å; M79-F175 HydrophobicContact SD-CB 4.24Å; M79-F175 HydrophobicContact SD-CD2 3.54Å; M79-F175 VanDerWaalsContact SD-CD2 3.54Å; M79-F175 HydrophobicContact SD-CE2 4.47Å; M79-F175 HydrophobicContact SD-CG 4.18Å; M79-L274 HydrophobicContact CE-CD1 3.76Å; M79-L274 HydrophobicContact SD-CD1 3.6Å; M79-L274 VanDerWaalsContact SD-CD1 3.6Å; M79-V278 HydrophobicContact CE-CG2 3.4Å; M79-V278 VanDerWaalsContact CE-CG2 3.4Å |
| 80 | L | 91.1 | Very high | 88.1 | Confident | 19 Ų | 19 | 48.9 Ų | 48.9 | 10% | 0.099 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 176.1 | -74 | 170.3 | 0 | 0 | 0 | 111.9 | F26 V29 F30 V76 P77 Q78 N82 L83 W84 | F26-L80 HydrophobicContact CD2-CB 4.37Å; F26-L80 HydrophobicContact CD2-CD2 3.68Å; F26-L80 WeakPolarHBondContact CD2-O 3.37Å; F26-L80 HydrophobicContact CE2-CB 4.02Å; F26-L80 HydrophobicContact CE2-CD2 3.76Å; F26-L80 HydrophobicContact CE2-CG 4.49Å; F26-L80 WeakPolarHBondContact CE2-O 3.37Å; F26-L80 HydrophobicContact CG-CD2 4.3Å; F26-L80 HydrophobicContact CZ-CD2 4.43Å; V29-L80 HydrophobicContact CB-CD2 4.07Å; V29-L80 HydrophobicContact CG1-CD2 3.71Å; V29-L80 HydrophobicContact CG1-CG 3.99Å; F30-L80 HydrophobicContact CB-CD2 3.87Å; F30-L80 HydrophobicContact CD2-CD1 3.97Å; V76-L80 HydrophobicContact CG1-CD1 3.81Å; V76-L80 HydrophobicContact CG1-CG 4.01Å; V76-L80 WeakPolarHBondContact O-CB 3.33Å; V76-L80 VanDerWaalsContact O-CG 3.31Å; V76-L80 WeakPolarHBondContact O-CG 3.45Å; V76-L80 PolarHBondContact O-N 2.92Å; P77-L80 PolarHBondContact O-N 3.41Å; Q78-L80 VanDerWaalsContact C-N 3.34Å; Q78-L80 PolarHBondContact O-N 2.95Å; L80-N82 VanDerWaalsContact C-N 3.31Å; L80-N82 PolarHBondContact O-N 3.04Å; L80-L83 PolarHBondContact O-N 3.47Å; L80-W84 WeakPolarHBondContact O-CB 3.31Å; L80-W84 PolarHBondContact O-N 3.47Å; L80-W84 VanDerWaalsContact O-N 3.08Å |
| 81 | V | 89.6 | Confident | 87.8 | Confident | 87 Ų | 87 | 49.9 Ų | 49.9 | 53% | 0.527 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.8 | -42.9 | 174.5 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | P77 Q78 W84 G85 | P77-V81 WeakPolarHBondContact O-CG2 3.46Å; P77-V81 PolarHBondContact O-N 3.24Å; P77-V81 VanDerWaalsContact O-N 3.09Å; Q78-V81 PolarHBondContact O-N 3.49Å; V81-W84 PolarHBondContact O-N 2.87Å; V81-G85 WeakPolarHBondContact O-CA 3.46Å; V81-G85 PolarHBondContact O-N 3.4Å |
| 82 | N | 87.9 | Confident | 87.6 | Confident | 12 Ų | 12 | 52.9 Ų | 52.9 | 6% | 0.064 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -69.9 | -33.3 | 179.2 | -68.3 | -14.6 | 0 | 0 | 0 | 112.9 | L12 Q78 M79 L80 | L12-N82 VanDerWaalsContact CD1-ND2 3.28Å; L12-N82 WeakPolarHBondContact CD1-ND2 3.28Å; Q78-N82 PolarHBondContact NE2-OD1 2.87Å; Q78-N82 VanDerWaalsContact NE2-OD1 3.14Å; Q78-N82 VanDerWaalsContact O-CG 3.25Å; Q78-N82 PolarHBondContact O-N 3.18Å; M79-N82 PolarHBondContact O-N 3.43Å; L80-N82 VanDerWaalsContact C-N 3.31Å; L80-N82 PolarHBondContact O-N 3.04Å |
| 83 | L | 87.4 | Confident | 87.4 | Confident | 23 Ų | 23 | 58.8 Ų | 58.8 | 12% | 0.12 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -73.9 | -29.9 | 177.9 | -73.9 | 170 | 0 | 0 | 0 | 112.8 | E22 L25 F26 V29 M79 L80 | E22-L83 HydrophobicContact CB-CD2 4.18Å; E22-L83 HydrophobicContact CG-CD2 4.32Å; L25-L83 HydrophobicContact CB-CD1 4.17Å; L25-L83 HydrophobicContact CB-CD2 4.12Å; L25-L83 HydrophobicContact CD1-CD2 4.47Å; F26-L83 HydrophobicContact CB-CB 4.15Å; F26-L83 HydrophobicContact CD2-CB 4.17Å; V29-L83 HydrophobicContact CG2-CD1 4.25Å; M79-L83 HydrophobicContact CG-CD1 3.9Å; M79-L83 HydrophobicContact CG-CG 4.34Å; M79-L83 WeakPolarHBondContact O-CB 3.47Å; M79-L83 VanDerWaalsContact O-CG 3.26Å; M79-L83 WeakPolarHBondContact O-CG 3.5Å; M79-L83 PolarHBondContact O-N 2.85Å; L80-L83 PolarHBondContact O-N 3.47Å |
| 84 | W | 85.4 | Confident | 87.3 | Confident | 190 Ų | 190 | 56.9 Ų | 56.9 | 72% | 0.72 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -94 | -38.4 | -179.9 | -174.3 | -93.4 | 0 | 0 | 0 | 113.3 | F26 L80 V81 | F26-W84 HydrophobicContact CD1-CE3 4Å; F26-W84 HydrophobicContact CD1-CZ3 4.4Å; F26-W84 HydrophobicContact CD2-CB 3.88Å; F26-W84 HydrophobicContact CD2-CE3 4.33Å; F26-W84 AromaticContact CE1-CE3 3.97Å; F26-W84 HydrophobicContact CE1-CE3 3.97Å; F26-W84 HydrophobicContact CE1-CZ3 4.35Å; F26-W84 HydrophobicContact CE2-CB 3.75Å; F26-W84 HydrophobicContact CE2-CE3 4.29Å; F26-W84 HydrophobicContact CE2-CG 4.36Å; F26-W84 HydrophobicContact CG-CE3 4.18Å; F26-W84 HydrophobicContact CZ-CE3 4.12Å; L80-W84 WeakPolarHBondContact O-CB 3.31Å; L80-W84 PolarHBondContact O-N 3.47Å; L80-W84 VanDerWaalsContact O-N 3.08Å; V81-W84 PolarHBondContact O-N 2.87Å |
| 85 | G | 80.8 | Confident | 87.3 | Confident | 18 Ų | 18 | 55.3 Ų | 55.3 | 19% | 0.186 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -83.7 | 157.3 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | V81 K87 | V81-G85 WeakPolarHBondContact O-CA 3.46Å; V81-G85 PolarHBondContact O-N 3.4Å; G85-K87 VanDerWaalsContact C-N 3.26Å; G85-K87 PolarHBondContact O-N 3.48Å |
| 86 | P | 76.1 | Confident | 87.4 | Confident | 136 Ų | 136 | 56.1 Ų | 56.1 | 88% | 0.883 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -72 | -20.8 | 175.7 | 29.6 | -34.8 | 0 | 0 | 0 | 112.8 | ||
| 87 | K | 78.4 | Confident | 87.4 | Confident | 162 Ų | 162 | 59.6 Ų | 59.6 | 70% | 0.704 | 32% | 0.324 | S | S | * | . | trans | -102.8 | 113 | 179.6 | -66.5 | -175 | -179.1 | -178.3 | 0 | 109.7 | G85 T89 | G85-K87 VanDerWaalsContact C-N 3.26Å; G85-K87 PolarHBondContact O-N 3.48Å; K87-T89 PolarHBondContact O-N 3.13Å | ||
| 88 | K | 82.8 | Confident | 87.5 | Confident | 31 Ų | 31 | 57.4 Ų | 57.4 | 14% | 0.135 | 31% | 0.309 | C | S | . | . | trans | -102.1 | 56.4 | -178.4 | -56.1 | 179.6 | -178.6 | 171.9 | 0 | 110.2 | L11 L12 S16 E22 | L11-K88 CarbonylContact C-O 3.21Å; L12-K88 PolarHBondContact N-O 3.36Å; L12-K88 VanDerWaalsContact O-CB 3.3Å; L12-K88 WeakPolarHBondContact O-CB 3.37Å; S16-K88 WeakPolarHBondContact OG-CD 3.3Å; S16-K88 PolarHBondContact OG-NZ 3.22Å; E22-K88 WeakPolarHBondContact OE1-CE 3.4Å; E22-K88 IonicContact OE1-NZ 3.54Å; E22-K88 PolarHBondContact OE1-NZ 2.62Å; E22-K88 IonicContact OE2-NZ 2.81Å; E22-K88 PolarHBondContact OE2-NZ 3.05Å | ||
| 89 | T | 84.8 | Confident | 87.7 | Confident | 68 Ų | 68 | 54.2 Ų | 54.2 | 42% | 0.417 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 142.4 | -170.2 | 54.7 | 0 | 0 | 0 | 0 | 110.8 | F10 L11 Q78 K87 | F10-T89 VanDerWaalsContact O-CA 3.29Å; F10-T89 WeakPolarHBondContact O-CA 3.38Å; L11-T89 HydrophobicContact CD1-CG2 3.84Å; Q78-T89 PolarHBondContact NE2-O 3.02Å; K87-T89 PolarHBondContact O-N 3.13Å |
| 90 | I | 87.5 | Confident | 88 | Confident | 6 Ų | 6 | 57.2 Ų | 57.2 | 3% | 0.031 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 139.1 | 167 | -169.3 | 168 | 0 | 0 | 0 | 108.8 | G9 F10 L12 Q78 C95 | G9-I90 CarbonylContact C-O 3.58Å; G9-I90 WeakPolarHBondContact CA-O 3.23Å; F10-I90 HydrophobicContact CB-CG2 3.92Å; F10-I90 HydrophobicContact CD2-CG2 4.44Å; F10-I90 PolarHBondContact N-O 3.15Å; F10-I90 PolarHBondContact O-N 2.79Å; L12-I90 HydrophobicContact CD1-CB 3.78Å; L12-I90 HydrophobicContact CD1-CG2 3.65Å; L12-I90 HydrophobicContact CG-CG2 4.07Å; Q78-I90 HydrophobicContact CG-CD1 4.35Å; I90-C95 HydrophobicContact CD1-CB 4.35Å; I90-C95 HydrophobicContact CG1-CB 4.47Å; I90-C95 HydrophobicContact CG2-CB 4.21Å |
| 91 | S | 89.8 | Confident | 88.1 | Confident | 65 Ų | 65 | 58.8 Ų | 58.8 | 46% | 0.455 | 32% | 0.315 | S | S | . | . | trans | -68.2 | 156.1 | 174.5 | 65.9 | 0 | 0 | 0 | 0 | 110.5 | L93 G94 C95 | S91-L93 PolarHBondContact O-N 3.11Å; S91-G94 PolarHBondContact O-N 3.12Å; S91-G94 VanDerWaalsContact O-N 3.1Å; S91-G94 PolarHBondContact OG-N 3.39Å; S91-C95 WeakPolarHBondContact O-CB 3.25Å; S91-C95 PolarHBondContact O-N 2.88Å | ||
| 92 | F | 87.2 | Confident | 88.2 | Confident | 65 Ų | 65 | 54.9 Ų | 54.9 | 29% | 0.285 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -57.2 | -39.9 | 175.3 | -179.9 | -93.5 | 0 | 0 | 0 | 112 | P7 F10 C95 S96 L162 F166 | P7-F92 HydrophobicContact CB-CD2 4.31Å; P7-F92 HydrophobicContact CG-CB 4.15Å; P7-F92 HydrophobicContact CG-CD2 3.64Å; P7-F92 HydrophobicContact CG-CE2 4.21Å; P7-F92 HydrophobicContact CG-CG 3.89Å; F10-F92 HydrophobicContact CE2-CB 4.45Å; F10-F92 AromaticContact CE2-CD2 3.55Å; F10-F92 HydrophobicContact CE2-CD2 3.55Å; F10-F92 HydrophobicContact CE2-CE2 4.24Å; F10-F92 HydrophobicContact CE2-CG 4.4Å; F10-F92 AromaticContact CZ-CD2 3.78Å; F10-F92 HydrophobicContact CZ-CD2 3.78Å; F10-F92 HydrophobicContact CZ-CE2 4.16Å; F92-C95 PolarHBondContact O-N 3.15Å; F92-S96 WeakPolarHBondContact O-CB 3.43Å; F92-S96 PolarHBondContact O-N 3.28Å; F92-S96 PolarHBondContact O-OG 2.84Å; F92-L162 HydrophobicContact CE2-CD2 4.27Å; F92-L162 HydrophobicContact CZ-CB 4.34Å; F92-L162 HydrophobicContact CZ-CD2 4.22Å; F92-F166 HydrophobicContact CE2-CE2 4.36Å |
| 93 | L | 90.2 | Very high | 88.4 | Confident | 125 Ų | 125 | 54.8 Ų | 54.8 | 65% | 0.654 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -65.2 | -43.6 | 175.2 | -177.7 | 61.4 | 0 | 0 | 0 | 111.6 | S91 C95 S96 V97 | S91-L93 PolarHBondContact O-N 3.11Å; L93-C95 VanDerWaalsContact C-N 3.33Å; L93-C95 PolarHBondContact O-N 3.31Å; L93-S96 WeakPolarHBondContact O-CB 3.4Å; L93-S96 PolarHBondContact O-N 3.18Å; L93-V97 HydrophobicContact CD1-CG2 4.27Å; L93-V97 WeakPolarHBondContact O-CG2 3.48Å; L93-V97 PolarHBondContact O-N 3.03Å |
| 94 | G | 90.8 | Very high | 88.8 | Confident | 25 Ų | 25 | 54 Ų | 54 | 26% | 0.258 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.2 | -44.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | S91 V97 Q98 | S91-G94 PolarHBondContact O-N 3.12Å; S91-G94 VanDerWaalsContact O-N 3.1Å; S91-G94 PolarHBondContact OG-N 3.39Å; G94-V97 PolarHBondContact O-N 3.36Å; G94-Q98 WeakPolarHBondContact O-CB 3.49Å; G94-Q98 PolarHBondContact O-N 2.92Å |
| 95 | C | 91.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.2 | -44.9 | 175.5 | -171.3 | 0 | 0 | 0 | 0 | 111.7 | F10 I90 S91 F92 L93 Q98 L99 C177 | F10-C95 HydrophobicContact CD2-CB 3.79Å; F10-C95 HydrophobicContact CE2-CB 3.91Å; I90-C95 HydrophobicContact CD1-CB 4.35Å; I90-C95 HydrophobicContact CG1-CB 4.47Å; I90-C95 HydrophobicContact CG2-CB 4.21Å; S91-C95 WeakPolarHBondContact O-CB 3.25Å; S91-C95 PolarHBondContact O-N 2.88Å; F92-C95 PolarHBondContact O-N 3.15Å; L93-C95 VanDerWaalsContact C-N 3.33Å; L93-C95 PolarHBondContact O-N 3.31Å; C95-Q98 PolarHBondContact O-N 3.1Å; C95-L99 WeakPolarHBondContact O-CB 3.43Å; C95-L99 PolarHBondContact O-N 3.08Å; C95-C177 VanDerWaalsContact CA-SG 3.53Å; C95-C177 HydrophobicContact CB-CB 3.92Å; C95-C177 WeakPolarHBondContact CB-SG 3.25Å; C95-C177 WeakPolarHBondContact SG-CB 3.24Å; C95-C177 CovalentContact SG-SG 2.03Å; C95-C177 PolarHBondContact SG-SG 3.29Å |
| 96 | S | 92.5 | Very high | 89.9 | Confident | 18 Ų | 18 | 45.2 Ų | 45.2 | 13% | 0.126 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60 | -47.7 | 177.2 | -58.6 | 0 | 0 | 0 | 0 | 112.3 | F92 L93 F100 L162 | F92-S96 WeakPolarHBondContact O-CB 3.43Å; F92-S96 PolarHBondContact O-N 3.28Å; F92-S96 PolarHBondContact O-OG 2.84Å; L93-S96 WeakPolarHBondContact O-CB 3.4Å; L93-S96 PolarHBondContact O-N 3.18Å; S96-F100 WeakPolarHBondContact O-CB 3.21Å; S96-F100 PolarHBondContact O-N 3.03Å; S96-F100 VanDerWaalsContact O-N 3.09Å; S96-L162 WeakPolarHBondContact OG-CD1 3.24Å |
| 97 | V | 92.7 | Very high | 90.8 | Very high | 74 Ų | 74 | 39.3 Ų | 39.3 | 45% | 0.448 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -66.5 | -45.7 | 179.3 | 171.3 | 0 | 0 | 0 | 0 | 110.7 | L93 G94 L99 F100 I101 | L93-V97 HydrophobicContact CD1-CG2 4.27Å; L93-V97 WeakPolarHBondContact O-CG2 3.48Å; L93-V97 PolarHBondContact O-N 3.03Å; G94-V97 PolarHBondContact O-N 3.36Å; V97-L99 PolarHBondContact O-N 3.29Å; V97-F100 PolarHBondContact O-N 3.3Å; V97-I101 HydrophobicContact CG1-CD1 3.64Å; V97-I101 HydrophobicContact CG1-CG1 4.39Å; V97-I101 WeakPolarHBondContact O-CB 3.33Å; V97-I101 VanDerWaalsContact O-CG1 3.31Å; V97-I101 WeakPolarHBondContact O-CG1 3.4Å; V97-I101 PolarHBondContact O-N 3.43Å |
| 98 | Q | 93.3 | Very high | 91.7 | Very high | 8 Ų | 8 | 31.6 Ų | 31.6 | 4% | 0.037 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.7 | -47.7 | 178.2 | -177.8 | 179.6 | -11.4 | 0 | 0 | 111.1 | G94 C95 F100 I101 F102 | G94-Q98 WeakPolarHBondContact O-CB 3.49Å; G94-Q98 PolarHBondContact O-N 2.92Å; C95-Q98 PolarHBondContact O-N 3.1Å; Q98-F100 PolarHBondContact O-N 3Å; Q98-I101 PolarHBondContact O-N 3.26Å; Q98-F102 HydrophobicContact CG-CD2 4.14Å; Q98-F102 HydrophobicContact CG-CE2 4.37Å; Q98-F102 VanDerWaalsContact O-CB 3.26Å; Q98-F102 WeakPolarHBondContact O-CB 3.29Å; Q98-F102 PolarHBondContact O-N 3.44Å |
| 99 | L | 93.2 | Very high | 92.3 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.4 | -47.7 | 178.9 | -177.3 | 67.3 | 0 | 0 | 0 | 111.7 | C95 V97 F102 L103 T158 T161 L162 V179 L182 | C95-L99 WeakPolarHBondContact O-CB 3.43Å; C95-L99 PolarHBondContact O-N 3.08Å; V97-L99 PolarHBondContact O-N 3.29Å; L99-F102 PolarHBondContact O-N 2.87Å; L99-L103 HydrophobicContact CD1-CD1 4.27Å; L99-L103 HydrophobicContact CG-CD1 4.14Å; L99-L103 WeakPolarHBondContact O-CB 3.5Å; L99-L103 WeakPolarHBondContact O-CG 3.14Å; L99-L103 PolarHBondContact O-N 3.42Å; L99-T158 HydrophobicContact CB-CG2 4.45Å; L99-T158 HydrophobicContact CD2-CG2 3.91Å; L99-T158 HydrophobicContact CG-CG2 4.2Å; L99-T161 HydrophobicContact CD2-CG2 4.14Å; L99-L162 HydrophobicContact CD2-CD2 4.15Å; L99-L162 HydrophobicContact CD2-CG 4.18Å; L99-V179 HydrophobicContact CD1-CG2 3.71Å; L99-L182 HydrophobicContact CD1-CD1 4.27Å; L99-L182 HydrophobicContact CD2-CD1 3.59Å; L99-L182 HydrophobicContact CG-CD1 4.48Å |
| 100 | F | 95.2 | Very high | 92.8 | Very high | 69 Ų | 69 | 27.2 Ų | 27.2 | 30% | 0.303 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -61.2 | -48.7 | 179.5 | -178.4 | -92.5 | 0 | 0 | 0 | 111.9 | S96 V97 Q98 L103 S104 L151 I155 T158 | S96-F100 WeakPolarHBondContact O-CB 3.21Å; S96-F100 PolarHBondContact O-N 3.03Å; S96-F100 VanDerWaalsContact O-N 3.09Å; V97-F100 PolarHBondContact O-N 3.3Å; Q98-F100 PolarHBondContact O-N 3Å; F100-L103 PolarHBondContact O-N 3.22Å; F100-S104 WeakPolarHBondContact O-CB 3.15Å; F100-S104 PolarHBondContact O-N 2.7Å; F100-L151 HydrophobicContact CE1-CD2 4.44Å; F100-L151 HydrophobicContact CZ-CD2 4.28Å; F100-I155 HydrophobicContact CE2-CG1 3.85Å; F100-I155 HydrophobicContact CZ-CG1 4.22Å; F100-T158 HydrophobicContact CB-CG2 4.04Å; F100-T158 HydrophobicContact CD2-CG2 4.42Å |
| 101 | I | 93.5 | Very high | 93.3 | Very high | 51 Ų | 51 | 27.9 Ų | 27.9 | 26% | 0.262 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -64.4 | -43.4 | -179.6 | -67.7 | 173.1 | 0 | 0 | 0 | 110.3 | V97 Q98 L103 S104 L105 | V97-I101 HydrophobicContact CG1-CD1 3.64Å; V97-I101 HydrophobicContact CG1-CG1 4.39Å; V97-I101 WeakPolarHBondContact O-CB 3.33Å; V97-I101 VanDerWaalsContact O-CG1 3.31Å; V97-I101 WeakPolarHBondContact O-CG1 3.4Å; V97-I101 PolarHBondContact O-N 3.43Å; Q98-I101 PolarHBondContact O-N 3.26Å; I101-L103 PolarHBondContact O-N 3.42Å; I101-S104 PolarHBondContact O-N 2.78Å; I101-L105 HydrophobicContact CG2-CD1 3.4Å; I101-L105 VanDerWaalsContact CG2-CD1 3.4Å; I101-L105 HydrophobicContact CG2-CG 3.99Å; I101-L105 WeakPolarHBondContact O-CB 3.43Å; I101-L105 VanDerWaalsContact O-CG 3.28Å; I101-L105 WeakPolarHBondContact O-CG 3.34Å; I101-L105 PolarHBondContact O-N 3.25Å |
| 102 | F | 91.1 | Very high | 93.6 | Very high | 6 Ų | 6 | 24.8 Ų | 24.8 | 3% | 0.026 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58.4 | -48.9 | 178.3 | -101.6 | -125.9 | 0 | 0 | 0 | 112.6 | F71 C75 Q98 L99 S104 G106 L176 Y276 A277 | F71-F102 HydrophobicContact CD1-CE2 4.2Å; F71-F102 HydrophobicContact CD1-CZ 4.21Å; F71-F102 HydrophobicContact CE1-CD1 4.4Å; F71-F102 HydrophobicContact CE1-CD2 4.34Å; F71-F102 AromaticContact CE1-CE1 3.68Å; F71-F102 HydrophobicContact CE1-CE1 3.68Å; F71-F102 AromaticContact CE1-CE2 3.6Å; F71-F102 HydrophobicContact CE1-CE2 3.6Å; F71-F102 AromaticContact CE1-CZ 3.25Å; F71-F102 HydrophobicContact CE1-CZ 3.25Å; F71-F102 HydrophobicContact CE2-CD1 4.18Å; F71-F102 HydrophobicContact CE2-CD2 4.18Å; F71-F102 HydrophobicContact CE2-CE1 4.26Å; F71-F102 HydrophobicContact CE2-CE2 4.24Å; F71-F102 HydrophobicContact CE2-CG 4.14Å; F71-F102 HydrophobicContact CE2-CZ 4.31Å; F71-F102 AromaticContact CZ-CD1 3.59Å; F71-F102 HydrophobicContact CZ-CD1 3.59Å; F71-F102 AromaticContact CZ-CD2 3.93Å; F71-F102 HydrophobicContact CZ-CD2 3.93Å; F71-F102 AromaticContact CZ-CE1 3.27Å; F71-F102 HydrophobicContact CZ-CE1 3.27Å; F71-F102 AromaticContact CZ-CE2 3.61Å; F71-F102 HydrophobicContact CZ-CE2 3.61Å; F71-F102 AromaticContact CZ-CG 3.91Å; F71-F102 HydrophobicContact CZ-CG 3.91Å; F71-F102 AromaticContact CZ-CZ 3.3Å; F71-F102 HydrophobicContact CZ-CZ 3.3Å; C75-F102 HydrophobicContact CB-CD2 4.5Å; C75-F102 HydrophobicContact CB-CE2 3.34Å; C75-F102 HydrophobicContact CB-CZ 3.54Å; C75-F102 WeakPolarHBondContact SG-CE2 3.27Å; C75-F102 WeakPolarHBondContact SG-CZ 3.36Å; Q98-F102 HydrophobicContact CG-CD2 4.14Å; Q98-F102 HydrophobicContact CG-CE2 4.37Å; Q98-F102 VanDerWaalsContact O-CB 3.26Å; Q98-F102 WeakPolarHBondContact O-CB 3.29Å; Q98-F102 PolarHBondContact O-N 3.44Å; L99-F102 PolarHBondContact O-N 2.87Å; F102-S104 VanDerWaalsContact C-N 3.33Å; F102-S104 PolarHBondContact O-N 3.31Å; F102-G106 WeakPolarHBondContact O-CA 3.35Å; F102-G106 PolarHBondContact O-N 3.42Å; F102-L176 HydrophobicContact CE1-CD1 3.65Å; F102-L176 HydrophobicContact CE1-CD2 4.43Å; F102-L176 HydrophobicContact CE1-CG 4.43Å; F102-L176 HydrophobicContact CZ-CD1 3.92Å; F102-L176 HydrophobicContact CZ-CD2 4.02Å; F102-L176 HydrophobicContact CZ-CG 4.49Å; F102-Y276 HydrophobicContact CD1-CE2 4.44Å; F102-Y276 HydrophobicContact CE1-CE2 4.14Å; F102-A277 HydrophobicContact CE1-CB 4.45Å; F102-A277 HydrophobicContact CZ-CB 4.27Å |
| 103 | L | 93.1 | Very high | 94 | Very high | 10 Ų | 10 | 21.7 Ų | 21.7 | 5% | 0.052 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.8 | -42.6 | 178.8 | -73.3 | 170.7 | 0 | 0 | 0 | 111.3 | L99 F100 I101 T107 S154 Q157 V179 | L99-L103 HydrophobicContact CD1-CD1 4.27Å; L99-L103 HydrophobicContact CG-CD1 4.14Å; L99-L103 WeakPolarHBondContact O-CB 3.5Å; L99-L103 WeakPolarHBondContact O-CG 3.14Å; L99-L103 PolarHBondContact O-N 3.42Å; F100-L103 PolarHBondContact O-N 3.22Å; I101-L103 PolarHBondContact O-N 3.42Å; L103-T107 WeakPolarHBondContact O-CB 3.4Å; L103-T107 PolarHBondContact O-N 3.02Å; L103-T107 PolarHBondContact O-OG1 3.35Å; L103-S154 VanDerWaalsContact C-OG 3.25Å; L103-S154 WeakPolarHBondContact CB-OG 3.06Å; L103-Q157 HydrophobicContact CD1-CB 4.05Å; L103-Q157 HydrophobicContact CD1-CG 3.86Å; L103-V179 HydrophobicContact CD1-CG2 3.77Å; L103-V179 HydrophobicContact CD2-CG2 3.81Å; L103-V179 HydrophobicContact CG-CG2 4.19Å |
| 104 | S | 95.8 | Very high | 94.3 | Very high | 5 Ų | 5 | 16.7 Ų | 16.7 | 4% | 0.035 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -68.5 | -47.8 | -176.7 | -174.8 | 0 | 0 | 0 | 0 | 111.1 | F100 I101 F102 T108 S150 L151 S154 | F100-S104 WeakPolarHBondContact O-CB 3.15Å; F100-S104 PolarHBondContact O-N 2.7Å; I101-S104 PolarHBondContact O-N 2.78Å; F102-S104 VanDerWaalsContact C-N 3.33Å; F102-S104 PolarHBondContact O-N 3.31Å; S104-T108 WeakPolarHBondContact O-CB 3.46Å; S104-T108 PolarHBondContact O-N 3.22Å; S104-T108 VanDerWaalsContact O-N 3.08Å; S104-T108 PolarHBondContact O-OG1 3.33Å; S104-S150 VanDerWaalsContact O-CB 3.23Å; S104-S150 WeakPolarHBondContact O-CB 3.37Å; S104-L151 WeakPolarHBondContact OG-CD2 3.22Å; S104-S154 WeakPolarHBondContact CA-OG 3.37Å; S104-S154 WeakPolarHBondContact CB-OG 3.39Å; S104-S154 PolarHBondContact N-OG 2.95Å |
| 105 | L | 95.3 | Very high | 94.6 | Very high | 10 Ų | 10 | 16.2 Ų | 16.2 | 5% | 0.052 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -73.5 | -45.5 | -177.3 | -63.1 | -179.6 | 0 | 0 | 0 | 111.1 | L67 C70 F71 I101 T107 T108 E109 W147 | L67-L105 WeakPolarHBondContact CD1-O 3.26Å; L67-L105 HydrophobicContact CD2-CB 3.91Å; L67-L105 HydrophobicContact CG-CB 4.06Å; L67-L105 HydrophobicContact CG-CD2 4.06Å; C70-L105 HydrophobicContact CB-CD1 3.6Å; C70-L105 HydrophobicContact CB-CD2 4.33Å; F71-L105 VanDerWaalsContact CA-CD1 3.49Å; F71-L105 HydrophobicContact CB-CB 4.49Å; F71-L105 HydrophobicContact CB-CD1 3.91Å; F71-L105 HydrophobicContact CD2-CB 3.74Å; F71-L105 HydrophobicContact CD2-CD1 4.36Å; F71-L105 VanDerWaalsContact N-CD1 3.32Å; I101-L105 HydrophobicContact CG2-CD1 3.4Å; I101-L105 VanDerWaalsContact CG2-CD1 3.4Å; I101-L105 HydrophobicContact CG2-CG 3.99Å; I101-L105 WeakPolarHBondContact O-CB 3.43Å; I101-L105 VanDerWaalsContact O-CG 3.28Å; I101-L105 WeakPolarHBondContact O-CG 3.34Å; I101-L105 PolarHBondContact O-N 3.25Å; L105-T107 VanDerWaalsContact C-N 3.31Å; L105-T107 PolarHBondContact O-N 2.79Å; L105-T108 PolarHBondContact O-N 3.46Å; L105-T108 VanDerWaalsContact O-N 3.11Å; L105-E109 PolarHBondContact O-N 2.88Å; L105-W147 HydrophobicContact CD2-CH2 3.58Å; L105-W147 HydrophobicContact CD2-CZ3 3.61Å |
| 106 | G | 93.4 | Very high | 94.8 | Very high | 15 Ų | 15 | 16.2 Ų | 16.2 | 16% | 0.155 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -60.7 | -39.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | F102 E109 C110 | F102-G106 WeakPolarHBondContact O-CA 3.35Å; F102-G106 PolarHBondContact O-N 3.42Å; G106-E109 PolarHBondContact O-N 2.84Å; G106-C110 PolarHBondContact O-N 3.12Å; G106-C110 VanDerWaalsContact O-N 3.16Å; G106-C110 PolarHBondContact O-SG 3.23Å |
| 107 | T | 95.4 | Very high | 94.9 | Very high | 12 Ų | 12 | 15.3 Ų | 15.3 | 7% | 0.074 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -69 | -38.5 | 175.3 | -55.1 | 0 | 0 | 0 | 0 | 111.9 | L103 L105 E109 C110 I111 S150 Q153 F204 | L103-T107 WeakPolarHBondContact O-CB 3.4Å; L103-T107 PolarHBondContact O-N 3.02Å; L103-T107 PolarHBondContact O-OG1 3.35Å; L105-T107 VanDerWaalsContact C-N 3.31Å; L105-T107 PolarHBondContact O-N 2.79Å; T107-E109 VanDerWaalsContact C-N 3.29Å; T107-E109 PolarHBondContact O-N 2.77Å; T107-C110 WeakPolarHBondContact O-CB 3.43Å; T107-C110 PolarHBondContact O-N 3.02Å; T107-I111 HydrophobicContact CG2-CD1 4.21Å; T107-I111 WeakPolarHBondContact O-CG1 3.31Å; T107-I111 PolarHBondContact O-N 3.42Å; T107-S150 VanDerWaalsContact C-OG 3.3Å; T107-S150 WeakPolarHBondContact CG2-OG 3.44Å; T107-Q153 PolarHBondContact OG1-OE1 3.02Å; T107-F204 HydrophobicContact CG2-CB 3.89Å; T107-F204 HydrophobicContact CG2-CD1 3.19Å; T107-F204 HydrophobicContact CG2-CD2 4.19Å; T107-F204 HydrophobicContact CG2-CE1 3.66Å; T107-F204 HydrophobicContact CG2-CG 3.49Å; T107-F204 VanDerWaalsContact CG2-CG 3.49Å; T107-F204 HydrophobicContact CG2-CZ 4.32Å |
| 108 | T | 96.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -63.4 | -40.8 | 176.3 | -57 | 0 | 0 | 0 | 0 | 110 | L67 S104 L105 I111 L112 A146 W147 S150 | L67-T108 HydrophobicContact CD1-CG2 3.76Å; S104-T108 WeakPolarHBondContact O-CB 3.46Å; S104-T108 PolarHBondContact O-N 3.22Å; S104-T108 VanDerWaalsContact O-N 3.08Å; S104-T108 PolarHBondContact O-OG1 3.33Å; L105-T108 PolarHBondContact O-N 3.46Å; L105-T108 VanDerWaalsContact O-N 3.11Å; T108-I111 PolarHBondContact O-N 3.27Å; T108-L112 HydrophobicContact CG2-CD1 3.9Å; T108-L112 HydrophobicContact CG2-CG 4.12Å; T108-L112 WeakPolarHBondContact O-CB 3.45Å; T108-L112 WeakPolarHBondContact O-CG 3.24Å; T108-L112 PolarHBondContact O-N 3.47Å; T108-A146 HydrophobicContact CG2-CB 4.28Å; T108-W147 HydrophobicContact CG2-CD2 3.92Å; T108-W147 HydrophobicContact CG2-CE3 4.37Å; T108-W147 HydrophobicContact CG2-CG 4.19Å; T108-W147 HydrophobicContact CG2-CZ2 4.28Å; T108-S150 VanDerWaalsContact CA-OG 3.26Å; T108-S150 WeakPolarHBondContact CA-OG 3.46Å; T108-S150 PolarHBondContact N-OG 3.22Å; T108-S150 WeakPolarHBondContact OG1-CB 3.4Å; T108-S150 PolarHBondContact OG1-OG 3.46Å; T108-S150 VanDerWaalsContact OG1-OG 3.04Å |
| 109 | E | 95.6 | Very high | 95.1 | Very high | 2 Ų | 2 | 15.3 Ų | 15.3 | 1% | 0.009 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -60.5 | -47 | 177.4 | 179.8 | 167.4 | -172.8 | 0 | 0 | 111.5 | L64 L67 L105 G106 T107 I111 L112 L113 F249 | L64-E109 HydrophobicContact CD1-CB 4.36Å; L64-E109 HydrophobicContact CD1-CG 3.69Å; L67-E109 HydrophobicContact CD1-CB 3.89Å; L67-E109 HydrophobicContact CD2-CB 4.06Å; L105-E109 PolarHBondContact O-N 2.88Å; G106-E109 PolarHBondContact O-N 2.84Å; T107-E109 VanDerWaalsContact C-N 3.29Å; T107-E109 PolarHBondContact O-N 2.77Å; E109-I111 VanDerWaalsContact C-N 3.28Å; E109-I111 PolarHBondContact O-N 2.98Å; E109-L112 PolarHBondContact O-N 3.34Å; E109-L113 HydrophobicContact CG-CD1 4Å; E109-L113 HydrophobicContact CG-CG 4.28Å; E109-L113 WeakPolarHBondContact O-CB 3.45Å; E109-L113 VanDerWaalsContact O-CG 3.26Å; E109-L113 WeakPolarHBondContact O-CG 3.35Å; E109-L113 PolarHBondContact O-N 2.92Å; E109-F249 HydrophobicContact CB-CE2 4.4Å; E109-F249 HydrophobicContact CB-CZ 4.02Å; E109-F249 HydrophobicContact CG-CD1 4.48Å; E109-F249 HydrophobicContact CG-CD2 4.25Å; E109-F249 HydrophobicContact CG-CE1 4.07Å; E109-F249 HydrophobicContact CG-CE2 3.84Å; E109-F249 HydrophobicContact CG-CZ 3.73Å; E109-F249 VanDerWaalsContact OE1-CD2 3.31Å; E109-F249 WeakPolarHBondContact OE1-CD2 3.29Å; E109-F249 WeakPolarHBondContact OE2-CE2 3.39Å |
| 110 | C | 96.2 | Very high | 95.1 | Very high | 4 Ų | 4 | 16.7 Ų | 16.7 | 3% | 0.027 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -52.2 | -46.6 | 173.7 | -72.1 | 0 | 0 | 0 | 0 | 112.6 | G106 T107 T114 F204 F249 Y250 | G106-C110 PolarHBondContact O-N 3.12Å; G106-C110 VanDerWaalsContact O-N 3.16Å; G106-C110 PolarHBondContact O-SG 3.23Å; T107-C110 WeakPolarHBondContact O-CB 3.43Å; T107-C110 PolarHBondContact O-N 3.02Å; C110-T114 PolarHBondContact O-N 3.16Å; C110-T114 PolarHBondContact O-OG1 3.36Å; C110-F204 VanDerWaalsContact CB-O 3.24Å; C110-F204 WeakPolarHBondContact CB-O 3.2Å; C110-F204 PolarHBondContact SG-O 3.35Å; C110-F249 VanDerWaalsContact SG-CE1 3.58Å; C110-Y250 WeakPolarHBondContact CB-OH 3.42Å; C110-Y250 PolarHBondContact O-OH 2.69Å |
| 111 | I | 96.9 | Very high | 95.1 | Very high | 20 Ų | 20 | 16.7 Ų | 16.7 | 10% | 0.103 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -71.4 | -43.6 | -177.2 | -60.5 | 160.8 | 0 | 0 | 0 | 110.3 | T107 T108 E109 L113 T114 V115 A146 M149 F204 | T107-I111 HydrophobicContact CG2-CD1 4.21Å; T107-I111 WeakPolarHBondContact O-CG1 3.31Å; T107-I111 PolarHBondContact O-N 3.42Å; T108-I111 PolarHBondContact O-N 3.27Å; E109-I111 VanDerWaalsContact C-N 3.28Å; E109-I111 PolarHBondContact O-N 2.98Å; I111-L113 PolarHBondContact O-N 3.16Å; I111-T114 WeakPolarHBondContact O-CA 3.42Å; I111-T114 WeakPolarHBondContact O-CB 3.37Å; I111-T114 PolarHBondContact O-N 2.89Å; I111-T114 VanDerWaalsContact O-N 3.1Å; I111-V115 HydrophobicContact CG2-CG2 4.45Å; I111-V115 WeakPolarHBondContact O-CG2 3.15Å; I111-V115 PolarHBondContact O-N 3.26Å; I111-A146 HydrophobicContact CB-CB 3.9Å; I111-A146 HydrophobicContact CD1-CB 4.49Å; I111-A146 HydrophobicContact CG2-CB 3.51Å; I111-M149 HydrophobicContact CD1-CB 4.31Å; I111-M149 HydrophobicContact CD1-CE 3.74Å; I111-M149 HydrophobicContact CG1-CE 4.42Å; I111-M149 HydrophobicContact CG2-CE 4.28Å; I111-F204 HydrophobicContact CD1-CD1 4.2Å; I111-F204 HydrophobicContact CD1-CE1 4.2Å |
| 112 | L | 96 | Very high | 95.2 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -61 | -43.9 | 177.1 | -73.7 | 175.9 | 0 | 0 | 0 | 111.8 | F60 D63 L67 T108 E109 T114 V115 M116 A146 | F60-L112 HydrophobicContact CD1-CD2 4.07Å; D63-L112 HydrophobicContact CB-CD1 4.25Å; D63-L112 VanDerWaalsContact OD2-CD1 3.28Å; D63-L112 WeakPolarHBondContact OD2-CD1 3.48Å; L67-L112 HydrophobicContact CD1-CD1 3.94Å; T108-L112 HydrophobicContact CG2-CD1 3.9Å; T108-L112 HydrophobicContact CG2-CG 4.12Å; T108-L112 WeakPolarHBondContact O-CB 3.45Å; T108-L112 WeakPolarHBondContact O-CG 3.24Å; T108-L112 PolarHBondContact O-N 3.47Å; E109-L112 PolarHBondContact O-N 3.34Å; L112-T114 PolarHBondContact O-N 2.88Å; L112-V115 PolarHBondContact O-N 3.28Å; L112-V115 VanDerWaalsContact O-N 3.15Å; L112-M116 WeakPolarHBondContact O-CB 3.47Å; L112-M116 VanDerWaalsContact O-CG 3.26Å; L112-M116 WeakPolarHBondContact O-CG 3.47Å; L112-M116 PolarHBondContact O-N 2.89Å; L112-A146 HydrophobicContact CD2-CB 4.37Å |
| 113 | L | 95.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -60.5 | -34.4 | 174.9 | -70.3 | 176.4 | 0 | 0 | 0 | 111.9 | L64 E109 I111 A117 I212 H242 V245 V246 F249 Y250 | L64-L113 HydrophobicContact CD2-CD2 4.25Å; E109-L113 HydrophobicContact CG-CD1 4Å; E109-L113 HydrophobicContact CG-CG 4.28Å; E109-L113 WeakPolarHBondContact O-CB 3.45Å; E109-L113 VanDerWaalsContact O-CG 3.26Å; E109-L113 WeakPolarHBondContact O-CG 3.35Å; E109-L113 PolarHBondContact O-N 2.92Å; I111-L113 PolarHBondContact O-N 3.16Å; L113-A117 WeakPolarHBondContact O-CB 3.4Å; L113-A117 PolarHBondContact O-N 2.75Å; L113-I212 HydrophobicContact CB-CD1 4.24Å; L113-H242 PolarHBondContact O-CE1 3.38Å; L113-H242 PolarHBondContact O-NE2 3Å; L113-V245 HydrophobicContact CD2-CG1 3.84Å; L113-V246 HydrophobicContact CB-CG2 4.37Å; L113-V246 HydrophobicContact CD2-CG2 4.36Å; L113-F249 HydrophobicContact CD1-CB 4.2Å; L113-F249 HydrophobicContact CD1-CD1 3.58Å; L113-F249 HydrophobicContact CD1-CE1 4.17Å; L113-F249 HydrophobicContact CD1-CG 4.02Å; L113-Y250 HydrophobicContact CD1-CE2 4.16Å |
| 114 | T | 97 | Very high | 95.2 | Very high | 20 Ų | 20 | 16.3 Ų | 16.3 | 12% | 0.123 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -69.1 | -44.2 | 174.5 | -57.1 | 0 | 0 | 0 | 0 | 111.7 | C110 I111 L112 M116 A117 F118 P208 L211 I212 | C110-T114 PolarHBondContact O-N 3.16Å; C110-T114 PolarHBondContact O-OG1 3.36Å; I111-T114 WeakPolarHBondContact O-CA 3.42Å; I111-T114 WeakPolarHBondContact O-CB 3.37Å; I111-T114 PolarHBondContact O-N 2.89Å; I111-T114 VanDerWaalsContact O-N 3.1Å; L112-T114 PolarHBondContact O-N 2.88Å; T114-M116 VanDerWaalsContact C-N 3.33Å; T114-M116 PolarHBondContact O-N 2.87Å; T114-A117 WeakPolarHBondContact O-CB 3.45Å; T114-A117 PolarHBondContact O-N 2.83Å; T114-F118 PolarHBondContact O-N 3.21Å; T114-P208 VanDerWaalsContact OG1-CB 3.27Å; T114-P208 WeakPolarHBondContact OG1-CB 3.26Å; T114-P208 PolarHBondContact OG1-O 2.69Å; T114-L211 HydrophobicContact CG2-CB 3.81Å; T114-L211 HydrophobicContact CG2-CD1 4.07Å; T114-I212 HydrophobicContact CG2-CG1 4.36Å |
| 115 | V | 96.4 | Very high | 95 | Very high | 15 Ų | 15 | 18 Ų | 18 | 9% | 0.091 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.5 | -40 | 176.8 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | F60 I111 L112 F118 D119 L142 | F60-V115 HydrophobicContact CD1-CG1 4Å; F60-V115 HydrophobicContact CD2-CG1 4.1Å; F60-V115 HydrophobicContact CE1-CG1 3.46Å; F60-V115 VanDerWaalsContact CE1-CG1 3.46Å; F60-V115 HydrophobicContact CE2-CG1 3.57Å; F60-V115 HydrophobicContact CG-CG1 4.3Å; F60-V115 HydrophobicContact CZ-CG1 3.21Å; I111-V115 HydrophobicContact CG2-CG2 4.45Å; I111-V115 WeakPolarHBondContact O-CG2 3.15Å; I111-V115 PolarHBondContact O-N 3.26Å; L112-V115 PolarHBondContact O-N 3.28Å; L112-V115 VanDerWaalsContact O-N 3.15Å; V115-F118 WeakPolarHBondContact O-CB 3.26Å; V115-F118 PolarHBondContact O-N 3.18Å; V115-D119 PolarHBondContact O-N 3.32Å; V115-L142 HydrophobicContact CG1-CB 4.14Å; V115-L142 HydrophobicContact CG1-CD1 3.8Å; V115-L142 HydrophobicContact CG2-CB 4.25Å |
| 116 | M | 95.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.7 | -40 | 174.3 | -70.3 | 173.2 | 80.4 | 0 | 0 | 111.5 | M57 F60 L61 L64 L112 T114 F118 D119 R120 H242 Y288 | M57-M116 HydrophobicContact CE-CE 3.34Å; M57-M116 HydrophobicContact SD-CB 4.22Å; M57-M116 HydrophobicContact SD-CE 3.68Å; M57-M116 HydrophobicContact SD-CG 4.26Å; F60-M116 HydrophobicContact CB-CG 3.57Å; F60-M116 HydrophobicContact CB-SD 4.05Å; F60-M116 HydrophobicContact CD2-CG 4.44Å; F60-M116 HydrophobicContact CG-CG 4.21Å; L61-M116 HydrophobicContact CB-CE 4.33Å; L61-M116 HydrophobicContact CD1-CE 4.23Å; L64-M116 HydrophobicContact CD2-SD 4.28Å; L112-M116 WeakPolarHBondContact O-CB 3.47Å; L112-M116 VanDerWaalsContact O-CG 3.26Å; L112-M116 WeakPolarHBondContact O-CG 3.47Å; L112-M116 PolarHBondContact O-N 2.89Å; T114-M116 VanDerWaalsContact C-N 3.33Å; T114-M116 PolarHBondContact O-N 2.87Å; M116-F118 VanDerWaalsContact C-N 3.34Å; M116-D119 PolarHBondContact O-N 3.41Å; M116-R120 WeakPolarHBondContact O-CG 3.34Å; M116-R120 PolarHBondContact O-N 3.4Å; M116-H242 WeakPolarHBondContact CB-NE2 3.28Å; M116-Y288 HydrophobicContact CE-CE1 4.33Å; M116-Y288 WeakPolarHBondContact CE-OH 3.37Å |
| 117 | A | 95.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.3 | -40.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L113 T114 R120 Y121 I212 Y216 | L113-A117 WeakPolarHBondContact O-CB 3.4Å; L113-A117 PolarHBondContact O-N 2.75Å; T114-A117 WeakPolarHBondContact O-CB 3.45Å; T114-A117 PolarHBondContact O-N 2.83Å; A117-R120 PolarHBondContact O-N 2.95Å; A117-Y121 PolarHBondContact O-N 3.36Å; A117-I212 HydrophobicContact CB-CB 4.22Å; A117-I212 HydrophobicContact CB-CG1 3.88Å; A117-I212 HydrophobicContact CB-CG2 4.03Å; A117-Y216 HydrophobicContact CB-CD2 4.2Å; A117-Y216 HydrophobicContact CB-CE2 3.73Å |
| 118 | F | 95.5 | Very high | 94.5 | Very high | 81 Ų | 81 | 32 Ų | 32 | 36% | 0.355 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -63.6 | -44.2 | 174.9 | 179.1 | -107.7 | 0 | 0 | 0 | 111.9 | T114 V115 M116 R120 Y121 V122 I134 | T114-F118 PolarHBondContact O-N 3.21Å; V115-F118 WeakPolarHBondContact O-CB 3.26Å; V115-F118 PolarHBondContact O-N 3.18Å; M116-F118 VanDerWaalsContact C-N 3.34Å; F118-R120 VanDerWaalsContact C-N 3.32Å; F118-R120 PolarHBondContact O-N 3.21Å; F118-Y121 HydrophobicContact CD2-CD1 4.19Å; F118-Y121 HydrophobicContact CE2-CD1 4.2Å; F118-Y121 WeakPolarHBondContact O-CB 3.32Å; F118-Y121 PolarHBondContact O-N 2.98Å; F118-Y121 VanDerWaalsContact O-N 3.16Å; F118-V122 HydrophobicContact CD1-CG2 4.32Å; F118-V122 HydrophobicContact CD2-CG2 4.38Å; F118-V122 HydrophobicContact CE1-CG2 3.88Å; F118-V122 HydrophobicContact CE2-CG2 3.94Å; F118-V122 HydrophobicContact CZ-CG2 3.66Å; F118-V122 WeakPolarHBondContact O-CG2 3.46Å; F118-V122 PolarHBondContact O-N 3.38Å; F118-I134 HydrophobicContact CD1-CD1 4.01Å; F118-I134 HydrophobicContact CE1-CD1 3.74Å |
| 119 | D | 94.6 | Very high | 94.3 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.2 | -44.3 | 173.8 | 163.9 | 85.9 | 0 | 0 | 0 | 111.7 | V115 M116 Y121 V122 A123 Y130 | V115-D119 PolarHBondContact O-N 3.32Å; M116-D119 PolarHBondContact O-N 3.41Å; D119-Y121 VanDerWaalsContact C-N 3.35Å; D119-Y121 PolarHBondContact O-N 3.36Å; D119-V122 PolarHBondContact O-N 2.93Å; D119-A123 VanDerWaalsContact O-CB 3.27Å; D119-A123 WeakPolarHBondContact O-CB 3.41Å; D119-A123 PolarHBondContact O-N 3.16Å; D119-Y130 WeakPolarHBondContact OD1-CE2 3.22Å; D119-Y130 PolarHBondContact OD1-OH 3.01Å |
| 120 | R | 92.9 | Very high | 94.1 | Very high | 30 Ų | 30 | 39.2 Ų | 39.2 | 11% | 0.113 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.3 | -42 | 175.4 | -66.2 | -58.7 | 91.2 | -175.3 | 0.8 | 112 | M57 M116 A117 F118 A123 V124 | M57-R120 VanDerWaalsContact CB-NH2 3.33Å; M116-R120 WeakPolarHBondContact O-CG 3.34Å; M116-R120 PolarHBondContact O-N 3.4Å; A117-R120 PolarHBondContact O-N 2.95Å; F118-R120 VanDerWaalsContact C-N 3.32Å; F118-R120 PolarHBondContact O-N 3.21Å; R120-A123 PolarHBondContact O-N 2.83Å; R120-V124 WeakPolarHBondContact O-CG2 3.41Å; R120-V124 PolarHBondContact O-N 2.75Å; R120-V124 VanDerWaalsContact O-N 3.1Å |
| 121 | Y | 95 | Very high | 93.8 | Very high | 68 Ų | 68 | 42.8 Ų | 42.8 | 27% | 0.267 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -58.2 | -52.2 | 175 | 162.4 | -98.4 | 0 | 0 | 0 | 111.4 | A117 F118 D119 A123 V124 C125 A218 T219 | A117-Y121 PolarHBondContact O-N 3.36Å; F118-Y121 HydrophobicContact CD2-CD1 4.19Å; F118-Y121 HydrophobicContact CE2-CD1 4.2Å; F118-Y121 WeakPolarHBondContact O-CB 3.32Å; F118-Y121 PolarHBondContact O-N 2.98Å; F118-Y121 VanDerWaalsContact O-N 3.16Å; D119-Y121 VanDerWaalsContact C-N 3.35Å; D119-Y121 PolarHBondContact O-N 3.36Å; Y121-A123 VanDerWaalsContact C-N 3.33Å; Y121-A123 PolarHBondContact O-N 3.16Å; Y121-V124 PolarHBondContact O-N 3.43Å; Y121-C125 HydrophobicContact CD2-CB 4.03Å; Y121-C125 VanDerWaalsContact CD2-SG 3.51Å; Y121-C125 HydrophobicContact CE2-CB 3.77Å; Y121-C125 WeakPolarHBondContact O-CB 3.46Å; Y121-C125 PolarHBondContact O-N 3.15Å; Y121-A218 HydrophobicContact CD2-CB 3.82Å; Y121-A218 HydrophobicContact CE2-CB 3.7Å; Y121-T219 WeakPolarHBondContact CA-OG1 3.04Å |
| 122 | V | 94.6 | Very high | 93.6 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64 | -40.9 | -179.1 | -177.2 | 0 | 0 | 0 | 0 | 110.9 | F118 D119 V124 Q126 Y130 I133 I134 | F118-V122 HydrophobicContact CD1-CG2 4.32Å; F118-V122 HydrophobicContact CD2-CG2 4.38Å; F118-V122 HydrophobicContact CE1-CG2 3.88Å; F118-V122 HydrophobicContact CE2-CG2 3.94Å; F118-V122 HydrophobicContact CZ-CG2 3.66Å; F118-V122 WeakPolarHBondContact O-CG2 3.46Å; F118-V122 PolarHBondContact O-N 3.38Å; D119-V122 PolarHBondContact O-N 2.93Å; V122-V124 VanDerWaalsContact C-N 3.31Å; V122-V124 PolarHBondContact O-N 3.02Å; V122-Q126 HydrophobicContact CG1-CB 4.37Å; V122-Q126 CarbonylContact O-C 3.57Å; V122-Q126 WeakPolarHBondContact O-CA 3.27Å; V122-Q126 PolarHBondContact O-N 3.48Å; V122-Y130 HydrophobicContact CB-CD2 4.28Å; V122-Y130 HydrophobicContact CG1-CD2 3.99Å; V122-I133 HydrophobicContact CG1-CB 3.97Å; V122-I133 HydrophobicContact CG1-CD1 3.72Å; V122-I133 HydrophobicContact CG1-CG1 4.44Å; V122-I133 HydrophobicContact CG1-CG2 3.95Å; V122-I133 HydrophobicContact CG2-CG2 4.21Å; V122-I134 HydrophobicContact CB-CD1 4.49Å; V122-I134 HydrophobicContact CB-CG1 4.13Å; V122-I134 HydrophobicContact CG1-CG1 4.12Å; V122-I134 HydrophobicContact CG2-CD1 4.26Å; V122-I134 HydrophobicContact CG2-CG1 4.42Å |
| 123 | A | 92.4 | Very high | 93.4 | Very high | 28 Ų | 28 | 49.1 Ų | 49.1 | 23% | 0.231 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.6 | -36.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | D119 R120 Y121 Y130 | D119-A123 VanDerWaalsContact O-CB 3.27Å; D119-A123 WeakPolarHBondContact O-CB 3.41Å; D119-A123 PolarHBondContact O-N 3.16Å; R120-A123 PolarHBondContact O-N 2.83Å; Y121-A123 VanDerWaalsContact C-N 3.33Å; Y121-A123 PolarHBondContact O-N 3.16Å; A123-Y130 VanDerWaalsContact CA-CD2 3.46Å; A123-Y130 HydrophobicContact CB-CD2 3.74Å; A123-Y130 HydrophobicContact CB-CE2 3.67Å; A123-Y130 HydrophobicContact CB-CG 4.49Å |
| 124 | V | 92 | Very high | 93.2 | Very high | 30 Ų | 30 | 49.5 Ų | 49.5 | 18% | 0.182 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -93.1 | -44.6 | -176.5 | 177.9 | 0 | 0 | 0 | 0 | 111.9 | R120 Y121 V122 T219 A222 V223 A235 | R120-V124 WeakPolarHBondContact O-CG2 3.41Å; R120-V124 PolarHBondContact O-N 2.75Å; R120-V124 VanDerWaalsContact O-N 3.1Å; Y121-V124 PolarHBondContact O-N 3.43Å; V122-V124 VanDerWaalsContact C-N 3.31Å; V122-V124 PolarHBondContact O-N 3.02Å; V124-T219 HydrophobicContact CB-CG2 4.03Å; V124-T219 HydrophobicContact CG1-CG2 4.14Å; V124-T219 HydrophobicContact CG2-CG2 4Å; V124-A222 HydrophobicContact CG1-CB 3.76Å; V124-V223 HydrophobicContact CG1-CG2 3.87Å; V124-A235 HydrophobicContact CG2-CB 4.43Å |
| 125 | C | 93.2 | Very high | 93 | Very high | 41 Ų | 41 | 52.1 Ų | 52.1 | 28% | 0.277 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -83.1 | -27.3 | -174.6 | -61.5 | 0 | 0 | 0 | 0 | 112.7 | Y121 P127 | Y121-C125 HydrophobicContact CD2-CB 4.03Å; Y121-C125 VanDerWaalsContact CD2-SG 3.51Å; Y121-C125 HydrophobicContact CE2-CB 3.77Å; Y121-C125 WeakPolarHBondContact O-CB 3.46Å; Y121-C125 PolarHBondContact O-N 3.15Å; C125-P127 VanDerWaalsContact C-CD 3.49Å |
| 126 | Q | 91.9 | Very high | 92.7 | Very high | 80 Ų | 80 | 56 Ų | 56 | 37% | 0.374 | 31% | 0.308 | S | S | . | . | trans | -133 | 55.3 | -176.8 | -62.1 | -167.5 | -43.1 | 0 | 0 | 112.6 | V122 L128 H129 Y130 I133 | V122-Q126 HydrophobicContact CG1-CB 4.37Å; V122-Q126 CarbonylContact O-C 3.57Å; V122-Q126 WeakPolarHBondContact O-CA 3.27Å; V122-Q126 PolarHBondContact O-N 3.48Å; Q126-L128 VanDerWaalsContact C-N 3.28Å; Q126-L128 PolarHBondContact O-N 3.01Å; Q126-L128 VanDerWaalsContact O-N 3.15Å; Q126-H129 CarbonylContact O-C 3.6Å; Q126-H129 PolarHBondContact O-N 3.32Å; Q126-Y130 PolarHBondContact O-N 3Å; Q126-I133 VanDerWaalsContact OE1-CD1 3.29Å | ||
| 127 | P | 89.4 | Confident | 92.7 | Very high | 89 Ų | 89 | 65.3 Ų | 65.3 | 58% | 0.578 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -59.3 | -34.9 | -171.1 | 24.1 | -34.7 | 0 | 0 | 0 | 113.7 | C125 H129 Y130 | C125-P127 VanDerWaalsContact C-CD 3.49Å; P127-H129 VanDerWaalsContact C-N 3.32Å; P127-H129 PolarHBondContact O-N 3.24Å; P127-Y130 PolarHBondContact O-N 3.15Å |
| 128 | L | 91.4 | Very high | 92.6 | Very high | 163 Ų | 163 | 67.2 Ų | 67.2 | 85% | 0.853 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -69.1 | -29 | 179.2 | -72.2 | 165.7 | 0 | 0 | 0 | 113.3 | Q126 | Q126-L128 VanDerWaalsContact C-N 3.28Å; Q126-L128 PolarHBondContact O-N 3.01Å; Q126-L128 VanDerWaalsContact O-N 3.15Å |
| 129 | H | 92 | Very high | 92.6 | Very high | 108 Ų | 108 | 63.5 Ų | 63.5 | 50% | 0.5 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -102.1 | 2 | -179.7 | -62.5 | 95 | 0 | 0 | 0 | 112.3 | Q126 P127 A131 T132 I133 | Q126-H129 CarbonylContact O-C 3.6Å; Q126-H129 PolarHBondContact O-N 3.32Å; P127-H129 VanDerWaalsContact C-N 3.32Å; P127-H129 PolarHBondContact O-N 3.24Å; H129-A131 VanDerWaalsContact C-N 3.34Å; H129-A131 PolarHBondContact O-N 2.88Å; H129-T132 PolarHBondContact O-N 3.42Å; H129-T132 VanDerWaalsContact O-N 3.15Å; H129-T132 PolarHBondContact O-OG1 2.95Å; H129-I133 HydrophobicContact CB-CD1 3.68Å; H129-I133 HydrophobicContact CB-CG1 4.2Å; H129-I133 WeakPolarHBondContact O-CB 3.41Å; H129-I133 VanDerWaalsContact O-CG1 3.28Å; H129-I133 WeakPolarHBondContact O-CG1 3.45Å; H129-I133 PolarHBondContact O-N 3.2Å |
| 130 | Y | 92.5 | Very high | 92.6 | Very high | 45 Ų | 45 | 71 Ų | 71 | 18% | 0.176 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -56.9 | -47.4 | -175.2 | 176.2 | -104 | 0 | 0 | 0 | 112.4 | P56 D119 V122 A123 Q126 P127 T132 I133 I134 | P56-Y130 WeakPolarHBondContact CG-OH 3.16Å; D119-Y130 WeakPolarHBondContact OD1-CE2 3.22Å; D119-Y130 PolarHBondContact OD1-OH 3.01Å; V122-Y130 HydrophobicContact CB-CD2 4.28Å; V122-Y130 HydrophobicContact CG1-CD2 3.99Å; A123-Y130 VanDerWaalsContact CA-CD2 3.46Å; A123-Y130 HydrophobicContact CB-CD2 3.74Å; A123-Y130 HydrophobicContact CB-CE2 3.67Å; A123-Y130 HydrophobicContact CB-CG 4.49Å; Q126-Y130 PolarHBondContact O-N 3Å; P127-Y130 PolarHBondContact O-N 3.15Å; Y130-T132 VanDerWaalsContact C-N 3.28Å; Y130-T132 PolarHBondContact O-N 3.48Å; Y130-I133 PolarHBondContact O-N 2.84Å; Y130-I134 HydrophobicContact CD2-CB 4.31Å; Y130-I134 HydrophobicContact CD2-CG1 4.05Å; Y130-I134 HydrophobicContact CE2-CB 3.9Å; Y130-I134 HydrophobicContact CE2-CG1 3.77Å; Y130-I134 HydrophobicContact CE2-CG2 4.43Å; Y130-I134 PolarHBondContact O-N 3.32Å |
| 131 | A | 89 | Confident | 92.8 | Very high | 79 Ų | 79 | 75.3 Ų | 75.3 | 65% | 0.653 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -70 | -23.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | H129 | H129-A131 VanDerWaalsContact C-N 3.34Å; H129-A131 PolarHBondContact O-N 2.88Å |
| 132 | T | 92 | Very high | 92.9 | Very high | 102 Ų | 102 | 74.2 Ų | 74.2 | 63% | 0.626 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -85.8 | -34.4 | 176.7 | 55.6 | 0 | 0 | 0 | 0 | 111.7 | H129 Y130 | H129-T132 PolarHBondContact O-N 3.42Å; H129-T132 VanDerWaalsContact O-N 3.15Å; H129-T132 PolarHBondContact O-OG1 2.95Å; Y130-T132 VanDerWaalsContact C-N 3.28Å; Y130-T132 PolarHBondContact O-N 3.48Å |
| 133 | I | 92.6 | Very high | 92.9 | Very high | 50 Ų | 50 | 74.3 Ų | 74.3 | 26% | 0.256 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -77.5 | -62.6 | 177.7 | -62.4 | 166.6 | 0 | 0 | 0 | 110.1 | V122 Q126 H129 Y130 H135 L138 | V122-I133 HydrophobicContact CG1-CB 3.97Å; V122-I133 HydrophobicContact CG1-CD1 3.72Å; V122-I133 HydrophobicContact CG1-CG1 4.44Å; V122-I133 HydrophobicContact CG1-CG2 3.95Å; V122-I133 HydrophobicContact CG2-CG2 4.21Å; Q126-I133 VanDerWaalsContact OE1-CD1 3.29Å; H129-I133 HydrophobicContact CB-CD1 3.68Å; H129-I133 HydrophobicContact CB-CG1 4.2Å; H129-I133 WeakPolarHBondContact O-CB 3.41Å; H129-I133 VanDerWaalsContact O-CG1 3.28Å; H129-I133 WeakPolarHBondContact O-CG1 3.45Å; H129-I133 PolarHBondContact O-N 3.2Å; Y130-I133 PolarHBondContact O-N 2.84Å; I133-H135 PolarHBondContact O-N 3.44Å; I133-H135 VanDerWaalsContact O-N 3.12Å; I133-H135 PolarHBondContact O-ND1 3.44Å; I133-L138 WeakPolarHBondContact O-CD2 3.35Å |
| 134 | I | 92.7 | Very high | 93.2 | Very high | 8 Ų | 8 | 75.9 Ų | 75.9 | 4% | 0.041 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -91.1 | 77.9 | -176.4 | -49.5 | -64.4 | 0 | 0 | 0 | 109.6 | P56 F118 V122 Y130 L138 | P56-I134 HydrophobicContact CB-CG2 3.33Å; P56-I134 HydrophobicContact CG-CB 4.34Å; P56-I134 HydrophobicContact CG-CG2 3.44Å; P56-I134 VanDerWaalsContact CG-CG2 3.44Å; F118-I134 HydrophobicContact CD1-CD1 4.01Å; F118-I134 HydrophobicContact CE1-CD1 3.74Å; V122-I134 HydrophobicContact CB-CD1 4.49Å; V122-I134 HydrophobicContact CB-CG1 4.13Å; V122-I134 HydrophobicContact CG1-CG1 4.12Å; V122-I134 HydrophobicContact CG2-CD1 4.26Å; V122-I134 HydrophobicContact CG2-CG1 4.42Å; Y130-I134 HydrophobicContact CD2-CB 4.31Å; Y130-I134 HydrophobicContact CD2-CG1 4.05Å; Y130-I134 HydrophobicContact CE2-CB 3.9Å; Y130-I134 HydrophobicContact CE2-CG1 3.77Å; Y130-I134 HydrophobicContact CE2-CG2 4.43Å; Y130-I134 PolarHBondContact O-N 3.32Å; I134-L138 HydrophobicContact CD1-CD2 4.37Å |
| 135 | H | 91.9 | Very high | 93.4 | Very high | 75 Ų | 75 | 78 Ų | 78 | 35% | 0.347 | 41% | 0.408 | S | S | . | . | trans | -101.9 | 157 | 176.2 | 70 | -55.3 | 0 | 0 | 0 | 111.1 | I133 R137 L138 C139 | I133-H135 PolarHBondContact O-N 3.44Å; I133-H135 VanDerWaalsContact O-N 3.12Å; I133-H135 PolarHBondContact O-ND1 3.44Å; H135-R137 VanDerWaalsContact C-N 3.28Å; H135-R137 PolarHBondContact O-N 2.77Å; H135-R137 VanDerWaalsContact O-N 3.1Å; H135-L138 VanDerWaalsContact CE1-CB 3.41Å; H135-L138 WeakPolarHBondContact CE1-CB 3.14Å; H135-L138 WeakPolarHBondContact ND1-CB 3.3Å; H135-L138 WeakPolarHBondContact O-CB 3.21Å; H135-L138 PolarHBondContact O-N 2.87Å; H135-C139 PolarHBondContact O-N 3.27Å | ||
| 136 | P | 91 | Very high | 93.6 | Very high | 97 Ų | 97 | 76 Ų | 76 | 63% | 0.63 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -56.7 | -33.9 | -170.6 | -28.8 | 35.6 | 0 | 0 | 0 | 115.4 | C139 W140 | P136-C139 WeakPolarHBondContact O-CB 3.42Å; P136-C139 PolarHBondContact O-N 2.88Å; P136-W140 VanDerWaalsContact O-CD1 3.29Å; P136-W140 PolarHBondContact O-N 2.82Å; P136-W140 VanDerWaalsContact O-N 3.08Å |
| 137 | R | 93.9 | Very high | 93.9 | Very high | 195 Ų | 195 | 74.9 Ų | 74.9 | 74% | 0.736 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -65 | -42.7 | 177.9 | -68.8 | -177.3 | 178.9 | 175.8 | -0.6 | 111.7 | H135 C139 W140 Q141 | H135-R137 VanDerWaalsContact C-N 3.28Å; H135-R137 PolarHBondContact O-N 2.77Å; H135-R137 VanDerWaalsContact O-N 3.1Å; R137-C139 VanDerWaalsContact C-N 3.32Å; R137-C139 PolarHBondContact O-N 3.38Å; R137-W140 PolarHBondContact O-N 2.98Å; R137-Q141 WeakPolarHBondContact O-CG 3.36Å; R137-Q141 PolarHBondContact O-N 3.42Å |
| 138 | L | 94.7 | Very high | 94.3 | Very high | 40 Ų | 40 | 74.8 Ų | 74.8 | 21% | 0.209 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63.2 | -40.4 | 174.3 | 178.9 | 64.5 | 0 | 0 | 0 | 111 | I133 I134 H135 W140 Q141 L142 | I133-L138 WeakPolarHBondContact O-CD2 3.35Å; I134-L138 HydrophobicContact CD1-CD2 4.37Å; H135-L138 VanDerWaalsContact CE1-CB 3.41Å; H135-L138 WeakPolarHBondContact CE1-CB 3.14Å; H135-L138 WeakPolarHBondContact ND1-CB 3.3Å; H135-L138 WeakPolarHBondContact O-CB 3.21Å; H135-L138 PolarHBondContact O-N 2.87Å; L138-W140 VanDerWaalsContact C-N 3.34Å; L138-W140 PolarHBondContact O-N 2.91Å; L138-Q141 PolarHBondContact O-N 3.37Å; L138-L142 HydrophobicContact CD1-CD1 4.08Å; L138-L142 HydrophobicContact CD1-CD2 4.37Å; L138-L142 HydrophobicContact CD1-CG 3.93Å; L138-L142 HydrophobicContact CD2-CD1 4.33Å; L138-L142 HydrophobicContact CG-CD1 3.79Å; L138-L142 HydrophobicContact CG-CG 4.1Å; L138-L142 WeakPolarHBondContact O-CB 3.44Å; L138-L142 VanDerWaalsContact O-CG 3.29Å; L138-L142 WeakPolarHBondContact O-CG 3.39Å; L138-L142 PolarHBondContact O-N 3.42Å |
| 139 | C | 94.7 | Very high | 94.6 | Very high | 3 Ų | 3 | 70.9 Ų | 70.9 | 2% | 0.02 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -57.8 | -47.4 | 177 | -60.8 | 0 | 0 | 0 | 0 | 112 | F59 F60 H135 P136 R137 Q141 L142 A143 | F59-C139 HydrophobicContact CD1-CB 3.72Å; F59-C139 HydrophobicContact CE1-CB 3.83Å; F59-C139 WeakPolarHBondContact CE1-O 3.38Å; F60-C139 HydrophobicContact CE1-CB 4.44Å; F60-C139 HydrophobicContact CE2-CB 4.4Å; F60-C139 HydrophobicContact CZ-CB 3.88Å; H135-C139 PolarHBondContact O-N 3.27Å; P136-C139 WeakPolarHBondContact O-CB 3.42Å; P136-C139 PolarHBondContact O-N 2.88Å; R137-C139 VanDerWaalsContact C-N 3.32Å; R137-C139 PolarHBondContact O-N 3.38Å; C139-Q141 PolarHBondContact O-N 3.5Å; C139-L142 PolarHBondContact O-N 2.97Å; C139-A143 WeakPolarHBondContact O-CB 3.22Å; C139-A143 PolarHBondContact O-N 3.18Å |
| 140 | W | 94.7 | Very high | 94.8 | Very high | 159 Ų | 159 | 65.8 Ų | 65.8 | 60% | 0.602 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -62.2 | -41.6 | 175 | -82.8 | 110.2 | 0 | 0 | 0 | 112.8 | F59 P136 R137 L138 S144 | F59-W140 AromaticContact CE2-CD2 3.88Å; F59-W140 HydrophobicContact CE2-CD2 3.88Å; F59-W140 AromaticContact CE2-CE2 3.61Å; F59-W140 HydrophobicContact CE2-CE3 4.1Å; F59-W140 AromaticContact CE2-CH2 3.86Å; F59-W140 HydrophobicContact CE2-CH2 3.86Å; F59-W140 AromaticContact CE2-CZ2 3.62Å; F59-W140 HydrophobicContact CE2-CZ2 3.62Å; F59-W140 HydrophobicContact CE2-CZ3 4.09Å; F59-W140 AromaticContact CZ-CD2 3.71Å; F59-W140 HydrophobicContact CZ-CD2 3.71Å; F59-W140 AromaticContact CZ-CE2 3.96Å; F59-W140 AromaticContact CZ-CE3 3.76Å; F59-W140 HydrophobicContact CZ-CE3 3.76Å; F59-W140 HydrophobicContact CZ-CG 4.21Å; F59-W140 HydrophobicContact CZ-CH2 4.31Å; F59-W140 HydrophobicContact CZ-CZ2 4.27Å; F59-W140 HydrophobicContact CZ-CZ3 4.06Å; P136-W140 VanDerWaalsContact O-CD1 3.29Å; P136-W140 PolarHBondContact O-N 2.82Å; P136-W140 VanDerWaalsContact O-N 3.08Å; R137-W140 PolarHBondContact O-N 2.98Å; L138-W140 VanDerWaalsContact C-N 3.34Å; L138-W140 PolarHBondContact O-N 2.91Å; W140-S144 WeakPolarHBondContact O-CB 3.39Å; W140-S144 PolarHBondContact O-N 3.19Å; W140-S144 PolarHBondContact O-OG 2.98Å |
| 141 | Q | 97 | Very high | 95 | Very high | 120 Ų | 120 | 66.9 Ų | 66.9 | 56% | 0.561 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -62.6 | -46.2 | 176.5 | -73.6 | 172.9 | -28.1 | 0 | 0 | 111.8 | R137 L138 C139 S144 V145 | R137-Q141 WeakPolarHBondContact O-CG 3.36Å; R137-Q141 PolarHBondContact O-N 3.42Å; L138-Q141 PolarHBondContact O-N 3.37Å; C139-Q141 PolarHBondContact O-N 3.5Å; Q141-S144 PolarHBondContact O-N 2.93Å; Q141-V145 WeakPolarHBondContact O-CB 3.5Å; Q141-V145 VanDerWaalsContact O-CG2 3.25Å; Q141-V145 WeakPolarHBondContact O-CG2 3.26Å; Q141-V145 PolarHBondContact O-N 3.22Å |
| 142 | L | 96.9 | Very high | 95.4 | Very high | 46 Ų | 46 | 67 Ų | 67 | 24% | 0.241 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.7 | -42.8 | 179.3 | -69.9 | 173.5 | 0 | 0 | 0 | 111.7 | F60 V115 L138 C139 V145 A146 | F60-L142 HydrophobicContact CE1-CB 4.31Å; F60-L142 HydrophobicContact CZ-CB 4.34Å; F60-L142 HydrophobicContact CZ-CD1 4.34Å; V115-L142 HydrophobicContact CG1-CB 4.14Å; V115-L142 HydrophobicContact CG1-CD1 3.8Å; V115-L142 HydrophobicContact CG2-CB 4.25Å; L138-L142 HydrophobicContact CD1-CD1 4.08Å; L138-L142 HydrophobicContact CD1-CD2 4.37Å; L138-L142 HydrophobicContact CD1-CG 3.93Å; L138-L142 HydrophobicContact CD2-CD1 4.33Å; L138-L142 HydrophobicContact CG-CD1 3.79Å; L138-L142 HydrophobicContact CG-CG 4.1Å; L138-L142 WeakPolarHBondContact O-CB 3.44Å; L138-L142 VanDerWaalsContact O-CG 3.29Å; L138-L142 WeakPolarHBondContact O-CG 3.39Å; L138-L142 PolarHBondContact O-N 3.42Å; C139-L142 PolarHBondContact O-N 2.97Å; L142-V145 PolarHBondContact O-N 3.49Å; L142-A146 WeakPolarHBondContact O-CB 3.5Å; L142-A146 PolarHBondContact O-N 2.84Å |
| 143 | A | 96.2 | Very high | 95.6 | Very high | 2 Ų | 2 | 63.1 Ų | 63.1 | 2% | 0.017 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.6 | -49.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | F59 C139 V145 A146 W147 | F59-A143 HydrophobicContact CE1-CB 3.87Å; F59-A143 HydrophobicContact CZ-CB 4.06Å; C139-A143 WeakPolarHBondContact O-CB 3.22Å; C139-A143 PolarHBondContact O-N 3.18Å; A143-V145 VanDerWaalsContact C-N 3.3Å; A143-V145 PolarHBondContact O-N 3.27Å; A143-A146 WeakPolarHBondContact O-CB 3.26Å; A143-A146 PolarHBondContact O-N 3.4Å; A143-W147 VanDerWaalsContact O-CD1 3.23Å; A143-W147 PolarHBondContact O-N 2.79Å |
| 144 | S | 96.9 | Very high | 95.8 | Very high | 62 Ų | 62 | 60.7 Ų | 60.7 | 43% | 0.434 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.4 | -41.7 | 177.9 | -66 | 0 | 0 | 0 | 0 | 112.5 | W140 Q141 W147 V148 | W140-S144 WeakPolarHBondContact O-CB 3.39Å; W140-S144 PolarHBondContact O-N 3.19Å; W140-S144 PolarHBondContact O-OG 2.98Å; Q141-S144 PolarHBondContact O-N 2.93Å; S144-W147 PolarHBondContact O-N 3.38Å; S144-V148 WeakPolarHBondContact O-CB 3.42Å; S144-V148 VanDerWaalsContact O-CG2 3.24Å; S144-V148 WeakPolarHBondContact O-CG2 3.5Å; S144-V148 PolarHBondContact O-N 3.11Å |
| 145 | V | 97.2 | Very high | 96 | Very high | 73 Ų | 73 | 65.2 Ų | 65.2 | 44% | 0.442 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.8 | -41.6 | 175.7 | 167 | 0 | 0 | 0 | 0 | 110.9 | Q141 L142 A143 V148 M149 | Q141-V145 WeakPolarHBondContact O-CB 3.5Å; Q141-V145 VanDerWaalsContact O-CG2 3.25Å; Q141-V145 WeakPolarHBondContact O-CG2 3.26Å; Q141-V145 PolarHBondContact O-N 3.22Å; L142-V145 PolarHBondContact O-N 3.49Å; A143-V145 VanDerWaalsContact C-N 3.3Å; A143-V145 PolarHBondContact O-N 3.27Å; V145-V148 PolarHBondContact O-N 3.45Å; V145-M149 HydrophobicContact CG1-CE 3.5Å; V145-M149 HydrophobicContact CG1-CG 4.17Å; V145-M149 HydrophobicContact CG1-SD 3.81Å; V145-M149 WeakPolarHBondContact O-CB 3.38Å; V145-M149 VanDerWaalsContact O-CG 3.27Å; V145-M149 WeakPolarHBondContact O-CG 3.35Å; V145-M149 PolarHBondContact O-N 3.13Å |
| 146 | A | 97.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.7 | -49.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | T108 I111 L112 L142 A143 S150 | T108-A146 HydrophobicContact CG2-CB 4.28Å; I111-A146 HydrophobicContact CB-CB 3.9Å; I111-A146 HydrophobicContact CD1-CB 4.49Å; I111-A146 HydrophobicContact CG2-CB 3.51Å; L112-A146 HydrophobicContact CD2-CB 4.37Å; L142-A146 WeakPolarHBondContact O-CB 3.5Å; L142-A146 PolarHBondContact O-N 2.84Å; A143-A146 WeakPolarHBondContact O-CB 3.26Å; A143-A146 PolarHBondContact O-N 3.4Å; A146-S150 WeakPolarHBondContact O-CB 3.41Å; A146-S150 PolarHBondContact O-N 2.82Å; A146-S150 PolarHBondContact O-OG 3.23Å |
| 147 | W | 97.5 | Very high | 96.3 | Very high | 57 Ų | 57 | 60.9 Ų | 60.9 | 22% | 0.216 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.3 | -47.9 | 178 | -78.8 | 99.4 | 0 | 0 | 0 | 112.3 | D63 F66 L105 T108 A143 S144 S150 L151 | D63-W147 PolarHBondContact OD1-NE1 3.5Å; D63-W147 PolarHBondContact OD2-NE1 3.4Å; F66-W147 HydrophobicContact CD1-CH2 4.25Å; F66-W147 HydrophobicContact CD1-CZ2 4.11Å; F66-W147 HydrophobicContact CE1-CH2 4.19Å; F66-W147 HydrophobicContact CE1-CZ2 4.37Å; L105-W147 HydrophobicContact CD2-CH2 3.58Å; L105-W147 HydrophobicContact CD2-CZ3 3.61Å; T108-W147 HydrophobicContact CG2-CD2 3.92Å; T108-W147 HydrophobicContact CG2-CE3 4.37Å; T108-W147 HydrophobicContact CG2-CG 4.19Å; T108-W147 HydrophobicContact CG2-CZ2 4.28Å; A143-W147 VanDerWaalsContact O-CD1 3.23Å; A143-W147 PolarHBondContact O-N 2.79Å; S144-W147 PolarHBondContact O-N 3.38Å; W147-S150 PolarHBondContact O-N 3.34Å; W147-L151 WeakPolarHBondContact O-CB 3.47Å; W147-L151 VanDerWaalsContact O-CG 3.29Å; W147-L151 WeakPolarHBondContact O-CG 3.45Å; W147-L151 PolarHBondContact O-N 3.21Å |
| 148 | V | 98 | Very high | 96.4 | Very high | 87 Ų | 87 | 51.9 Ų | 51.9 | 53% | 0.527 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65 | -46.4 | -177.5 | 171 | 0 | 0 | 0 | 0 | 111.6 | S144 V145 S150 L151 V152 | S144-V148 WeakPolarHBondContact O-CB 3.42Å; S144-V148 VanDerWaalsContact O-CG2 3.24Å; S144-V148 WeakPolarHBondContact O-CG2 3.5Å; S144-V148 PolarHBondContact O-N 3.11Å; V145-V148 PolarHBondContact O-N 3.45Å; V148-S150 VanDerWaalsContact C-N 3.27Å; V148-S150 PolarHBondContact O-N 2.92Å; V148-L151 PolarHBondContact O-N 2.79Å; V148-V152 HydrophobicContact CG1-CG2 4.49Å; V148-V152 WeakPolarHBondContact O-CG2 3.21Å; V148-V152 PolarHBondContact O-N 3.28Å |
| 149 | M | 97.1 | Very high | 96.4 | Very high | 81 Ų | 81 | 52.8 Ų | 52.8 | 40% | 0.399 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.2 | -39.5 | 178.8 | -70.8 | -171.1 | -51.6 | 0 | 0 | 111.7 | I111 V145 V152 Q153 F204 | I111-M149 HydrophobicContact CD1-CB 4.31Å; I111-M149 HydrophobicContact CD1-CE 3.74Å; I111-M149 HydrophobicContact CG1-CE 4.42Å; I111-M149 HydrophobicContact CG2-CE 4.28Å; V145-M149 HydrophobicContact CG1-CE 3.5Å; V145-M149 HydrophobicContact CG1-CG 4.17Å; V145-M149 HydrophobicContact CG1-SD 3.81Å; V145-M149 WeakPolarHBondContact O-CB 3.38Å; V145-M149 VanDerWaalsContact O-CG 3.27Å; V145-M149 WeakPolarHBondContact O-CG 3.35Å; V145-M149 PolarHBondContact O-N 3.13Å; M149-V152 PolarHBondContact O-N 2.93Å; M149-Q153 WeakPolarHBondContact O-CB 3.14Å; M149-Q153 PolarHBondContact O-N 2.89Å; M149-F204 HydrophobicContact CB-CE1 4.46Å |
| 150 | S | 97 | Very high | 96.3 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -70.7 | -38.2 | 179.7 | -53.7 | 0 | 0 | 0 | 0 | 112.8 | S104 T107 T108 A146 W147 V148 Q153 S154 | S104-S150 VanDerWaalsContact O-CB 3.23Å; S104-S150 WeakPolarHBondContact O-CB 3.37Å; T107-S150 VanDerWaalsContact C-OG 3.3Å; T107-S150 WeakPolarHBondContact CG2-OG 3.44Å; T108-S150 VanDerWaalsContact CA-OG 3.26Å; T108-S150 WeakPolarHBondContact CA-OG 3.46Å; T108-S150 PolarHBondContact N-OG 3.22Å; T108-S150 WeakPolarHBondContact OG1-CB 3.4Å; T108-S150 PolarHBondContact OG1-OG 3.46Å; T108-S150 VanDerWaalsContact OG1-OG 3.04Å; A146-S150 WeakPolarHBondContact O-CB 3.41Å; A146-S150 PolarHBondContact O-N 2.82Å; A146-S150 PolarHBondContact O-OG 3.23Å; W147-S150 PolarHBondContact O-N 3.34Å; V148-S150 VanDerWaalsContact C-N 3.27Å; V148-S150 PolarHBondContact O-N 2.92Å; S150-Q153 PolarHBondContact O-N 2.94Å; S150-S154 WeakPolarHBondContact O-CB 3.46Å; S150-S154 PolarHBondContact O-N 2.84Å; S150-S154 PolarHBondContact O-OG 2.81Å |
| 151 | L | 97.1 | Very high | 96.3 | Very high | 69 Ų | 69 | 46.1 Ų | 46.1 | 36% | 0.361 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.6 | -45.6 | 172.9 | -76.5 | 169 | 0 | 0 | 0 | 111.2 | F100 S104 W147 V148 Q153 S154 I155 | F100-L151 HydrophobicContact CE1-CD2 4.44Å; F100-L151 HydrophobicContact CZ-CD2 4.28Å; S104-L151 WeakPolarHBondContact OG-CD2 3.22Å; W147-L151 WeakPolarHBondContact O-CB 3.47Å; W147-L151 VanDerWaalsContact O-CG 3.29Å; W147-L151 WeakPolarHBondContact O-CG 3.45Å; W147-L151 PolarHBondContact O-N 3.21Å; V148-L151 PolarHBondContact O-N 2.79Å; L151-Q153 PolarHBondContact O-N 3.48Å; L151-S154 PolarHBondContact O-N 3.37Å; L151-I155 VanDerWaalsContact O-CG1 3.26Å; L151-I155 WeakPolarHBondContact O-CG1 3.48Å; L151-I155 PolarHBondContact O-N 3.08Å |
| 152 | V | 97.4 | Very high | 96.1 | Very high | 82 Ų | 82 | 41.8 Ų | 41.8 | 50% | 0.497 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.3 | -46.4 | 176.5 | 171.5 | 0 | 0 | 0 | 0 | 110.7 | V148 M149 S154 I155 V156 | V148-V152 HydrophobicContact CG1-CG2 4.49Å; V148-V152 WeakPolarHBondContact O-CG2 3.21Å; V148-V152 PolarHBondContact O-N 3.28Å; M149-V152 PolarHBondContact O-N 2.93Å; V152-S154 VanDerWaalsContact C-N 3.27Å; V152-S154 PolarHBondContact O-N 3.45Å; V152-I155 PolarHBondContact O-N 3.49Å; V152-V156 VanDerWaalsContact O-CG2 3.3Å; V152-V156 WeakPolarHBondContact O-CG2 3.11Å; V152-V156 PolarHBondContact O-N 3.34Å |
| 153 | Q | 95.9 | Very high | 95.8 | Very high | 19 Ų | 19 | 47.4 Ų | 47.4 | 9% | 0.089 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -56.6 | -43.1 | 175.7 | -179.2 | -81.5 | -21.4 | 0 | 0 | 111.6 | T107 M149 S150 L151 V156 Q157 F204 | T107-Q153 PolarHBondContact OG1-OE1 3.02Å; M149-Q153 WeakPolarHBondContact O-CB 3.14Å; M149-Q153 PolarHBondContact O-N 2.89Å; S150-Q153 PolarHBondContact O-N 2.94Å; L151-Q153 PolarHBondContact O-N 3.48Å; Q153-V156 PolarHBondContact O-N 2.92Å; Q153-Q157 VanDerWaalsContact O-CB 3.28Å; Q153-Q157 WeakPolarHBondContact O-CB 3.31Å; Q153-Q157 PolarHBondContact O-N 2.87Å; Q153-F204 HydrophobicContact CB-CE2 3.8Å; Q153-F204 HydrophobicContact CB-CZ 3.89Å; Q153-F204 HydrophobicContact CG-CD2 3.84Å; Q153-F204 HydrophobicContact CG-CE2 3.45Å; Q153-F204 VanDerWaalsContact CG-CE2 3.45Å; Q153-F204 HydrophobicContact CG-CZ 4.07Å |
| 154 | S | 96.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -69.5 | -40.1 | -178.6 | -59.7 | 0 | 0 | 0 | 0 | 112.5 | L103 S104 S150 L151 V152 V156 Q157 T158 | L103-S154 VanDerWaalsContact C-OG 3.25Å; L103-S154 WeakPolarHBondContact CB-OG 3.06Å; S104-S154 WeakPolarHBondContact CA-OG 3.37Å; S104-S154 WeakPolarHBondContact CB-OG 3.39Å; S104-S154 PolarHBondContact N-OG 2.95Å; S150-S154 WeakPolarHBondContact O-CB 3.46Å; S150-S154 PolarHBondContact O-N 2.84Å; S150-S154 PolarHBondContact O-OG 2.81Å; L151-S154 PolarHBondContact O-N 3.37Å; V152-S154 VanDerWaalsContact C-N 3.27Å; V152-S154 PolarHBondContact O-N 3.45Å; S154-V156 PolarHBondContact O-N 3.4Å; S154-Q157 PolarHBondContact O-N 3.47Å; S154-T158 WeakPolarHBondContact O-CB 3.26Å; S154-T158 PolarHBondContact O-N 2.92Å; S154-T158 PolarHBondContact O-OG1 2.92Å |
| 155 | I | 96.7 | Very high | 95.2 | Very high | 102 Ų | 102 | 48.2 Ų | 48.2 | 52% | 0.523 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.3 | -35 | 174.8 | -70.3 | 166.4 | 0 | 0 | 0 | 110.9 | F100 L151 V152 P159 | F100-I155 HydrophobicContact CE2-CG1 3.85Å; F100-I155 HydrophobicContact CZ-CG1 4.22Å; L151-I155 VanDerWaalsContact O-CG1 3.26Å; L151-I155 WeakPolarHBondContact O-CG1 3.48Å; L151-I155 PolarHBondContact O-N 3.08Å; V152-I155 PolarHBondContact O-N 3.49Å; I155-P159 WeakPolarHBondContact O-CD 3.46Å; I155-P159 WeakPolarHBondContact O-CG 3.42Å |
| 156 | V | 95.6 | Very high | 94.8 | Very high | 80 Ų | 80 | 46.6 Ų | 46.6 | 49% | 0.485 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -82.2 | -38.1 | -179.1 | 175.3 | 0 | 0 | 0 | 0 | 111.8 | V152 Q153 S154 S160 Q196 | V152-V156 VanDerWaalsContact O-CG2 3.3Å; V152-V156 WeakPolarHBondContact O-CG2 3.11Å; V152-V156 PolarHBondContact O-N 3.34Å; Q153-V156 PolarHBondContact O-N 2.92Å; S154-V156 PolarHBondContact O-N 3.4Å; V156-S160 PolarHBondContact O-OG 3.48Å; V156-Q196 PolarHBondContact O-NE2 2.91Å |
| 157 | Q | 95.4 | Very high | 94.4 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -84.4 | -37.1 | -175.5 | -173.3 | 68.5 | 50.6 | 0 | 0 | 114.1 | L103 Q153 S154 S160 T161 V179 Q196 | L103-Q157 HydrophobicContact CD1-CB 4.05Å; L103-Q157 HydrophobicContact CD1-CG 3.86Å; Q153-Q157 VanDerWaalsContact O-CB 3.28Å; Q153-Q157 WeakPolarHBondContact O-CB 3.31Å; Q153-Q157 PolarHBondContact O-N 2.87Å; S154-Q157 PolarHBondContact O-N 3.47Å; Q157-S160 PolarHBondContact O-OG 3.24Å; Q157-T161 PolarHBondContact NE2-OG1 2.88Å; Q157-T161 WeakPolarHBondContact O-CB 3.45Å; Q157-T161 PolarHBondContact O-N 2.79Å; Q157-T161 VanDerWaalsContact O-N 3.15Å; Q157-T161 PolarHBondContact O-OG1 3.48Å; Q157-V179 HydrophobicContact CG-CG2 4.02Å; Q157-Q196 VanDerWaalsContact CA-NE2 3.31Å |
| 158 | T | 95 | Very high | 93.5 | Very high | 7 Ų | 7 | 50.5 Ų | 50.5 | 4% | 0.043 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.7 | -51.5 | -173.4 | -53 | 0 | 0 | 0 | 0 | 111.6 | L99 F100 S154 S160 T161 L162 | L99-T158 HydrophobicContact CB-CG2 4.45Å; L99-T158 HydrophobicContact CD2-CG2 3.91Å; L99-T158 HydrophobicContact CG-CG2 4.2Å; F100-T158 HydrophobicContact CB-CG2 4.04Å; F100-T158 HydrophobicContact CD2-CG2 4.42Å; S154-T158 WeakPolarHBondContact O-CB 3.26Å; S154-T158 PolarHBondContact O-N 2.92Å; S154-T158 PolarHBondContact O-OG1 2.92Å; T158-S160 PolarHBondContact O-N 3.4Å; T158-T161 PolarHBondContact O-N 3Å; T158-L162 HydrophobicContact CG2-CD1 3.74Å; T158-L162 HydrophobicContact CG2-CG 4.32Å; T158-L162 WeakPolarHBondContact O-CG 3.28Å; T158-L162 PolarHBondContact O-N 3.46Å |
| 159 | P | 94.4 | Very high | 92.4 | Very high | 58 Ų | 58 | 53.7 Ų | 53.7 | 38% | 0.377 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66.4 | -37 | -176.9 | -20.7 | 35.2 | 0 | 0 | 0 | 113 | I155 T161 L162 H163 | I155-P159 WeakPolarHBondContact O-CD 3.46Å; I155-P159 WeakPolarHBondContact O-CG 3.42Å; P159-T161 VanDerWaalsContact C-N 3.31Å; P159-T161 PolarHBondContact O-N 2.94Å; P159-L162 PolarHBondContact O-N 3.28Å; P159-H163 WeakPolarHBondContact O-CB 3.37Å; P159-H163 PolarHBondContact O-N 3.27Å; P159-H163 VanDerWaalsContact O-N 3.08Å; P159-H163 PolarHBondContact O-ND1 2.88Å |
| 160 | S | 93.8 | Very high | 91.4 | Very high | 23 Ų | 23 | 52.1 Ų | 52.1 | 16% | 0.161 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.4 | -36.4 | 176.8 | 48 | 0 | 0 | 0 | 0 | 112.1 | V156 Q157 T158 N193 Q196 | V156-S160 PolarHBondContact O-OG 3.48Å; Q157-S160 PolarHBondContact O-OG 3.24Å; T158-S160 PolarHBondContact O-N 3.4Å; S160-N193 VanDerWaalsContact C-OD1 3.23Å; S160-N193 PolarHBondContact O-ND2 3.32Å; S160-N193 PolarHBondContact O-OD1 2.96Å; S160-Q196 PolarHBondContact OG-NE2 3.36Å; S160-Q196 PolarHBondContact OG-OE1 3.22Å |
| 161 | T | 93.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -70.3 | -42.1 | 175.8 | -52.5 | 0 | 0 | 0 | 0 | 111.4 | L99 Q157 T158 P159 H163 L164 V179 L182 N193 | L99-T161 HydrophobicContact CD2-CG2 4.14Å; Q157-T161 PolarHBondContact NE2-OG1 2.88Å; Q157-T161 WeakPolarHBondContact O-CB 3.45Å; Q157-T161 PolarHBondContact O-N 2.79Å; Q157-T161 VanDerWaalsContact O-N 3.15Å; Q157-T161 PolarHBondContact O-OG1 3.48Å; T158-T161 PolarHBondContact O-N 3Å; P159-T161 VanDerWaalsContact C-N 3.31Å; P159-T161 PolarHBondContact O-N 2.94Å; T161-H163 VanDerWaalsContact C-N 3.32Å; T161-H163 PolarHBondContact O-N 2.88Å; T161-L164 HydrophobicContact CG2-CD1 4.43Å; T161-L164 WeakPolarHBondContact O-CB 3.49Å; T161-L164 WeakPolarHBondContact O-CD1 3.28Å; T161-L164 WeakPolarHBondContact O-CG 3.24Å; T161-L164 PolarHBondContact O-N 2.81Å; T161-V179 HydrophobicContact CG2-CB 4.46Å; T161-V179 HydrophobicContact CG2-CG1 4.09Å; T161-V179 HydrophobicContact CG2-CG2 4.44Å; T161-L182 HydrophobicContact CG2-CB 3.73Å; T161-L182 HydrophobicContact CG2-CD1 3.81Å; T161-L182 HydrophobicContact CG2-CG 4.45Å; T161-N193 WeakPolarHBondContact CA-OD1 3.28Å; T161-N193 PolarHBondContact N-OD1 3.46Å |
| 162 | L | 92.1 | Very high | 89.5 | Confident | 29 Ų | 29 | 53.5 Ų | 53.5 | 15% | 0.152 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -73.1 | -20.8 | -178.7 | -69 | 173.4 | 0 | 0 | 0 | 114 | F92 S96 L99 T158 P159 L164 F166 L182 | F92-L162 HydrophobicContact CE2-CD2 4.27Å; F92-L162 HydrophobicContact CZ-CB 4.34Å; F92-L162 HydrophobicContact CZ-CD2 4.22Å; S96-L162 WeakPolarHBondContact OG-CD1 3.24Å; L99-L162 HydrophobicContact CD2-CD2 4.15Å; L99-L162 HydrophobicContact CD2-CG 4.18Å; T158-L162 HydrophobicContact CG2-CD1 3.74Å; T158-L162 HydrophobicContact CG2-CG 4.32Å; T158-L162 WeakPolarHBondContact O-CG 3.28Å; T158-L162 PolarHBondContact O-N 3.46Å; P159-L162 PolarHBondContact O-N 3.28Å; L162-L164 VanDerWaalsContact C-N 3.27Å; L162-F166 WeakPolarHBondContact O-CE2 3.45Å; L162-L182 HydrophobicContact CD2-CD1 4.35Å |
| 163 | H | 92.2 | Very high | 88.4 | Confident | 163 Ų | 163 | 52.3 Ų | 52.3 | 76% | 0.755 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | 1.8 | 174.5 | -79.4 | 110.4 | 0 | 0 | 0 | 114 | P159 T161 | P159-H163 WeakPolarHBondContact O-CB 3.37Å; P159-H163 PolarHBondContact O-N 3.27Å; P159-H163 VanDerWaalsContact O-N 3.08Å; P159-H163 PolarHBondContact O-ND1 2.88Å; T161-H163 VanDerWaalsContact C-N 3.32Å; T161-H163 PolarHBondContact O-N 2.88Å |
| 164 | L | 90.9 | Very high | 87.3 | Confident | 10 Ų | 10 | 51.8 Ų | 51.8 | 5% | 0.052 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -61.7 | 143.5 | 175.8 | -79.7 | 169.1 | 0 | 0 | 0 | 111.7 | T161 L162 F166 I183 T190 N193 | T161-L164 HydrophobicContact CG2-CD1 4.43Å; T161-L164 WeakPolarHBondContact O-CB 3.49Å; T161-L164 WeakPolarHBondContact O-CD1 3.28Å; T161-L164 WeakPolarHBondContact O-CG 3.24Å; T161-L164 PolarHBondContact O-N 2.81Å; L162-L164 VanDerWaalsContact C-N 3.27Å; L164-F166 HydrophobicContact CB-CD1 4.35Å; L164-F166 HydrophobicContact CB-CE1 3.84Å; L164-F166 HydrophobicContact CB-CZ 4.11Å; L164-F166 WeakPolarHBondContact O-CD2 3.34Å; L164-F166 PolarHBondContact O-N 3.45Å; L164-I183 HydrophobicContact CD1-CB 4.49Å; L164-I183 HydrophobicContact CD1-CG1 3.92Å; L164-T190 HydrophobicContact CD2-CG2 4.19Å; L164-N193 HydrophobicContact CD1-CB 4.33Å; L164-N193 HydrophobicContact CD2-CB 4.45Å; L164-N193 VanDerWaalsContact CD2-ND2 3.26Å; L164-N193 WeakPolarHBondContact CD2-ND2 3.46Å; L164-N193 WeakPolarHBondContact CG-ND2 3.35Å |
| 165 | P | 89.4 | Confident | 86.4 | Confident | 72 Ų | 72 | 52.7 Ų | 52.7 | 47% | 0.468 | 28% | 0.282 | S | S | . | . | trans | -74 | 88.3 | 174.6 | 30.6 | -34.3 | 0 | 0 | 0 | 110.7 | S186 C187 | P165-S186 WeakPolarHBondContact O-CA 2.92Å; P165-S186 PolarHBondContact O-OG 3.34Å; P165-C187 PolarHBondContact O-N 2.69Å | ||
| 166 | F | 89.1 | Confident | 85.6 | Confident | 39 Ų | 39 | 47.8 Ų | 47.8 | 17% | 0.171 | 26% | 0.257 | C | S | . | . | B | Isolated β-bridge | trans | -66.6 | 141.9 | 179.9 | -58.1 | -57.4 | 0 | 0 | 0 | 113 | F10 F92 L162 L164 L182 L185 | F10-F166 HydrophobicContact CE1-CD2 4.18Å; F10-F166 HydrophobicContact CE1-CE2 4.47Å; F10-F166 HydrophobicContact CE1-CG 4.27Å; F10-F166 HydrophobicContact CZ-CD2 4.11Å; F10-F166 HydrophobicContact CZ-CE2 4.04Å; F92-F166 HydrophobicContact CE2-CE2 4.36Å; L162-F166 WeakPolarHBondContact O-CE2 3.45Å; L164-F166 HydrophobicContact CB-CD1 4.35Å; L164-F166 HydrophobicContact CB-CE1 3.84Å; L164-F166 HydrophobicContact CB-CZ 4.11Å; L164-F166 WeakPolarHBondContact O-CD2 3.34Å; L164-F166 PolarHBondContact O-N 3.45Å; F166-L182 HydrophobicContact CE1-CB 4.16Å; F166-L182 HydrophobicContact CE1-CD2 4.06Å; F166-L182 HydrophobicContact CZ-CD2 4.24Å; F166-L185 HydrophobicContact CB-CD2 4.49Å; F166-L185 HydrophobicContact CB-CG 4.34Å; F166-L185 HydrophobicContact CD1-CB 4.23Å; F166-L185 HydrophobicContact CD1-CD2 4.09Å; F166-L185 HydrophobicContact CD1-CG 4.03Å; F166-L185 HydrophobicContact CG-CD2 4.45Å |
| 167 | C | 86.9 | Confident | 85.2 | Confident | 26 Ų | 26 | 44 Ų | 44 | 18% | 0.176 | 23% | 0.234 | C | C | . | . | trans | -62.6 | 149.9 | 175.2 | -61.4 | 0 | 0 | 0 | 0 | 112.1 | H169 Q170 L185 C187 | C167-H169 PolarHBondContact O-N 3.29Å; C167-H169 VanDerWaalsContact O-N 3.1Å; C167-Q170 WeakPolarHBondContact O-CG 3.42Å; C167-Q170 PolarHBondContact O-N 3.36Å; C167-Q170 VanDerWaalsContact O-N 3.12Å; C167-L185 HydrophobicContact CB-CD1 4.4Å; C167-L185 PolarHBondContact N-O 3.41Å; C167-L185 PolarHBondContact SG-O 3.49Å; C167-C187 VanDerWaalsContact CA-SG 3.57Å; C167-C187 HydrophobicContact CB-CB 4.15Å; C167-C187 WeakPolarHBondContact CB-SG 2.99Å; C167-C187 VanDerWaalsContact SG-CA 3.53Å; C167-C187 WeakPolarHBondContact SG-CB 3.41Å; C167-C187 PolarHBondContact SG-N 2.93Å; C167-C187 VanDerWaalsContact SG-N 3.43Å; C167-C187 CovalentContact SG-SG 2.03Å; C167-C187 PolarHBondContact SG-SG 2.76Å | ||
| 168 | P | 79.6 | Confident | 84.9 | Confident | 113 Ų | 113 | 44.1 Ų | 44.1 | 73% | 0.734 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -27.7 | -175.3 | -25.1 | 33.6 | 0 | 0 | 0 | 115.1 | Q170 | P168-Q170 VanDerWaalsContact C-N 3.28Å; P168-Q170 PolarHBondContact O-N 3.09Å |
| 169 | H | 74.8 | Confident | 84.6 | Confident | 153 Ų | 153 | 43.8 Ų | 43.8 | 71% | 0.708 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -17.4 | -177.4 | -60.1 | -25 | 0 | 0 | 0 | 113 | C167 Q171 | C167-H169 PolarHBondContact O-N 3.29Å; C167-H169 VanDerWaalsContact O-N 3.1Å; H169-Q171 HydrophobicContact CB-CG 4.32Å; H169-Q171 VanDerWaalsContact O-CG 3.22Å; H169-Q171 WeakPolarHBondContact O-CG 3.29Å; H169-Q171 PolarHBondContact O-N 3.09Å |
| 170 | Q | 76.1 | Confident | 84.3 | Confident | 49 Ų | 49 | 41.6 Ų | 41.6 | 23% | 0.229 | 22% | 0.218 | C | C | . | . | trans | 48 | 32.5 | 173.4 | -63.9 | -179.9 | -14.5 | 0 | 0 | 114.7 | G9 F10 L11 C167 P168 | G9-Q170 PolarHBondContact O-OE1 3.2Å; G9-Q170 VanDerWaalsContact O-OE1 3.05Å; F10-Q170 WeakPolarHBondContact CA-O 3.38Å; F10-Q170 HydrophobicContact CD1-CB 4.17Å; L11-Q170 PolarHBondContact N-O 3.28Å; C167-Q170 WeakPolarHBondContact O-CG 3.42Å; C167-Q170 PolarHBondContact O-N 3.36Å; C167-Q170 VanDerWaalsContact O-N 3.12Å; P168-Q170 VanDerWaalsContact C-N 3.28Å; P168-Q170 PolarHBondContact O-N 3.09Å | ||
| 171 | Q | 76.6 | Confident | 84 | Confident | 96 Ų | 96 | 41 Ų | 41 | 45% | 0.449 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 113 | 179.9 | -56.9 | -172.9 | -4.4 | 0 | 0 | 110 | L11 L13 H169 L185 | L11-Q171 HydrophobicContact CB-CG 4.44Å; L11-Q171 HydrophobicContact CD2-CG 4.17Å; L11-Q171 CarbonylContact O-C 3.56Å; L11-Q171 WeakPolarHBondContact O-CA 3.35Å; L13-Q171 HydrophobicContact CD1-CB 3.93Å; L13-Q171 HydrophobicContact CG-CB 4.3Å; H169-Q171 HydrophobicContact CB-CG 4.32Å; H169-Q171 VanDerWaalsContact O-CG 3.22Å; H169-Q171 WeakPolarHBondContact O-CG 3.29Å; H169-Q171 PolarHBondContact O-N 3.09Å; Q171-L185 WeakPolarHBondContact O-CD1 3.46Å |
| 172 | I | 76.6 | Confident | 83.8 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 116.1 | 171.8 | -62.6 | 176.8 | 0 | 0 | 0 | 107.2 | F10 L11 L12 L13 D174 L182 L185 | F10-I172 HydrophobicContact CB-CD1 3.56Å; F10-I172 HydrophobicContact CB-CG1 4.02Å; F10-I172 HydrophobicContact CD1-CD1 3.83Å; F10-I172 HydrophobicContact CD1-CG1 4.1Å; F10-I172 HydrophobicContact CD2-CD1 4.27Å; F10-I172 HydrophobicContact CG-CD1 3.64Å; F10-I172 HydrophobicContact CG-CG1 4.27Å; L11-I172 PolarHBondContact O-N 2.83Å; L12-I172 WeakPolarHBondContact CA-O 3.45Å; L12-I172 HydrophobicContact CD2-CB 4.01Å; L12-I172 HydrophobicContact CD2-CD1 4.48Å; L12-I172 HydrophobicContact CD2-CG2 3.89Å; L13-I172 PolarHBondContact N-O 3.32Å; I172-D174 HydrophobicContact CG2-CB 3.72Å; I172-D174 PolarHBondContact O-N 3.47Å; I172-L182 HydrophobicContact CD1-CD2 3.78Å; I172-L185 HydrophobicContact CG1-CD2 3.78Å |
| 173 | D | 74.8 | Confident | 83.7 | Confident | 57 Ų | 57 | 40 Ų | 40 | 31% | 0.305 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -78.5 | 56.3 | 175.3 | -169.9 | 41.9 | 0 | 0 | 0 | 111.8 | Q266 K270 | D173-Q266 PolarHBondContact OD2-NE2 3.29Å; D173-K270 VanDerWaalsContact CG-CE 3.44Å; D173-K270 WeakPolarHBondContact O-CE 3.44Å; D173-K270 WeakPolarHBondContact OD1-CE 3.45Å; D173-K270 IonicContact OD1-NZ 3.01Å; D173-K270 PolarHBondContact OD1-NZ 3.23Å; D173-K270 VanDerWaalsContact OD2-CE 3.23Å; D173-K270 WeakPolarHBondContact OD2-CE 3.26Å; D173-K270 IonicContact OD2-NZ 2.95Å; D173-K270 PolarHBondContact OD2-NZ 2.99Å |
| 174 | D | 74.1 | Confident | 83.4 | Confident | 8 Ų | 8 | 37 Ų | 37 | 4% | 0.043 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -157.2 | 170.5 | -177.6 | -137.2 | -39.7 | 0 | 0 | 0 | 111.3 | L12 G14 I172 S181 | L12-D174 WeakPolarHBondContact CB-O 3.45Å; L12-D174 VanDerWaalsContact CD2-O 3.25Å; L12-D174 WeakPolarHBondContact CD2-O 3.38Å; G14-D174 PolarHBondContact N-O 3.21Å; I172-D174 HydrophobicContact CG2-CB 3.72Å; I172-D174 PolarHBondContact O-N 3.47Å; D174-S181 PolarHBondContact OD2-OG 2.96Å |
| 175 | F | 75.6 | Confident | 83.2 | Confident | 19 Ų | 19 | 37.2 Ų | 37.2 | 8% | 0.083 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -96 | -9 | 173.2 | 43.8 | -78.8 | 0 | 0 | 0 | 112.5 | F15 M79 K270 G273 L274 | F15-F175 HydrophobicContact CE2-CD1 4.47Å; M79-F175 HydrophobicContact SD-CB 4.24Å; M79-F175 HydrophobicContact SD-CD2 3.54Å; M79-F175 VanDerWaalsContact SD-CD2 3.54Å; M79-F175 HydrophobicContact SD-CE2 4.47Å; M79-F175 HydrophobicContact SD-CG 4.18Å; F175-K270 HydrophobicContact CE1-CB 3.81Å; F175-K270 HydrophobicContact CE1-CG 4.35Å; F175-K270 WeakPolarHBondContact CE1-O 3.47Å; F175-K270 WeakPolarHBondContact CZ-O 3.41Å; F175-G273 VanDerWaalsContact CZ-C 3.47Å; F175-L274 HydrophobicContact CD2-CD1 4.11Å; F175-L274 HydrophobicContact CE1-CB 4.31Å; F175-L274 VanDerWaalsContact CE2-CA 3.49Å; F175-L274 HydrophobicContact CE2-CB 3.79Å; F175-L274 HydrophobicContact CE2-CD1 4.08Å; F175-L274 VanDerWaalsContact CE2-N 3.32Å; F175-L274 HydrophobicContact CZ-CB 3.74Å |
| 176 | L | 80.9 | Confident | 83.2 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -130.3 | 153.3 | -177.6 | -57.8 | 164.7 | 0 | 0 | 0 | 111.1 | C75 F102 E178 A277 | C75-L176 HydrophobicContact CB-CD2 3.6Å; F102-L176 HydrophobicContact CE1-CD1 3.65Å; F102-L176 HydrophobicContact CE1-CD2 4.43Å; F102-L176 HydrophobicContact CE1-CG 4.43Å; F102-L176 HydrophobicContact CZ-CD1 3.92Å; F102-L176 HydrophobicContact CZ-CD2 4.02Å; F102-L176 HydrophobicContact CZ-CG 4.49Å; L176-E178 PolarHBondContact O-N 3.38Å; L176-A277 HydrophobicContact CD1-CB 3.87Å |
| 177 | C | 87 | Confident | 83.2 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -82.9 | 103.7 | 165.6 | -87.4 | 0 | 0 | 0 | 0 | 110 | C95 | C95-C177 VanDerWaalsContact CA-SG 3.53Å; C95-C177 HydrophobicContact CB-CB 3.92Å; C95-C177 WeakPolarHBondContact CB-SG 3.25Å; C95-C177 WeakPolarHBondContact SG-CB 3.24Å; C95-C177 CovalentContact SG-SG 2.03Å; C95-C177 PolarHBondContact SG-SG 3.29Å | ||
| 178 | E | 88.6 | Confident | 83.3 | Confident | 4 Ų | 4 | 37.5 Ų | 37.5 | 2% | 0.019 | 21% | 0.205 | C | C | . | . | trans | -131.2 | 156.2 | 179.3 | 57.9 | -178.7 | 96.7 | 0 | 0 | 112.2 | L176 S181 L182 V256 | L176-E178 PolarHBondContact O-N 3.38Å; E178-S181 WeakPolarHBondContact CG-OG 3.47Å; E178-S181 PolarHBondContact O-N 3.27Å; E178-L182 PolarHBondContact O-N 3.3Å; E178-V256 WeakPolarHBondContact OE2-CG1 3.39Å | ||
| 179 | V | 90 | Very high | 83.9 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -55.9 | -49.3 | -173.5 | -180 | 0 | 0 | 0 | 0 | 112.5 | L99 L103 Q157 T161 S181 L182 I183 L197 | L99-V179 HydrophobicContact CD1-CG2 3.71Å; L103-V179 HydrophobicContact CD1-CG2 3.77Å; L103-V179 HydrophobicContact CD2-CG2 3.81Å; L103-V179 HydrophobicContact CG-CG2 4.19Å; Q157-V179 HydrophobicContact CG-CG2 4.02Å; T161-V179 HydrophobicContact CG2-CB 4.46Å; T161-V179 HydrophobicContact CG2-CG1 4.09Å; T161-V179 HydrophobicContact CG2-CG2 4.44Å; V179-S181 VanDerWaalsContact C-N 3.26Å; V179-S181 PolarHBondContact O-N 2.88Å; V179-L182 PolarHBondContact O-N 3.1Å; V179-I183 HydrophobicContact CG1-CD1 3.69Å; V179-I183 HydrophobicContact CG1-CG1 4.22Å; V179-I183 WeakPolarHBondContact O-CG1 3.3Å; V179-I183 PolarHBondContact O-N 2.86Å; V179-L197 HydrophobicContact CB-CD1 4.32Å; V179-L197 HydrophobicContact CG1-CD1 3.93Å; V179-L197 HydrophobicContact CG1-CD2 4.39Å |
| 180 | P | 88.1 | Confident | 84.7 | Confident | 12 Ų | 12 | 31.7 Ų | 31.7 | 8% | 0.078 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.1 | -38.4 | -179.4 | -22.5 | 34.5 | 0 | 0 | 0 | 112.5 | I183 R184 L197 V256 Y257 | P180-I183 PolarHBondContact O-N 3.34Å; P180-R184 VanDerWaalsContact O-CG 3.31Å; P180-R184 WeakPolarHBondContact O-CG 3.33Å; P180-R184 PolarHBondContact O-N 3.28Å; P180-R184 VanDerWaalsContact O-N 3.11Å; P180-L197 HydrophobicContact CG-CD2 4.28Å; P180-V256 HydrophobicContact CG-CG1 4.49Å; P180-Y257 HydrophobicContact CG-CD1 4.16Å; P180-Y257 HydrophobicContact CG-CE1 4.12Å |
| 181 | S | 87.3 | Confident | 85.5 | Confident | 10 Ų | 10 | 32.2 Ų | 32.2 | 7% | 0.07 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -73.1 | -35.6 | -177.7 | -58 | 0 | 0 | 0 | 0 | 111.7 | D174 E178 V179 R184 L185 | D174-S181 PolarHBondContact OD2-OG 2.96Å; E178-S181 WeakPolarHBondContact CG-OG 3.47Å; E178-S181 PolarHBondContact O-N 3.27Å; V179-S181 VanDerWaalsContact C-N 3.26Å; V179-S181 PolarHBondContact O-N 2.88Å; S181-R184 PolarHBondContact O-N 3.18Å; S181-L185 PolarHBondContact O-N 3.47Å |
| 182 | L | 89.9 | Confident | 86.4 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -71.1 | -37.9 | 172.5 | -70.4 | 175.5 | 0 | 0 | 0 | 113.1 | F10 L99 T161 L162 F166 I172 E178 V179 R184 L185 S186 | F10-L182 HydrophobicContact CE1-CD2 4.44Å; F10-L182 HydrophobicContact CZ-CD2 4.38Å; L99-L182 HydrophobicContact CD1-CD1 4.27Å; L99-L182 HydrophobicContact CD2-CD1 3.59Å; L99-L182 HydrophobicContact CG-CD1 4.48Å; T161-L182 HydrophobicContact CG2-CB 3.73Å; T161-L182 HydrophobicContact CG2-CD1 3.81Å; T161-L182 HydrophobicContact CG2-CG 4.45Å; L162-L182 HydrophobicContact CD2-CD1 4.35Å; F166-L182 HydrophobicContact CE1-CB 4.16Å; F166-L182 HydrophobicContact CE1-CD2 4.06Å; F166-L182 HydrophobicContact CZ-CD2 4.24Å; I172-L182 HydrophobicContact CD1-CD2 3.78Å; E178-L182 PolarHBondContact O-N 3.3Å; V179-L182 PolarHBondContact O-N 3.1Å; L182-R184 VanDerWaalsContact C-N 3.3Å; L182-R184 PolarHBondContact O-N 3.48Å; L182-L185 PolarHBondContact O-N 2.73Å; L182-S186 PolarHBondContact O-N 2.91Å |
| 183 | I | 89.5 | Confident | 87.2 | Confident | 9 Ų | 9 | 35.4 Ų | 35.4 | 5% | 0.046 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.2 | -44.9 | 173.4 | -72.5 | 173 | 0 | 0 | 0 | 110.3 | L164 V179 P180 L185 S186 T190 N193 E194 L197 | L164-I183 HydrophobicContact CD1-CB 4.49Å; L164-I183 HydrophobicContact CD1-CG1 3.92Å; V179-I183 HydrophobicContact CG1-CD1 3.69Å; V179-I183 HydrophobicContact CG1-CG1 4.22Å; V179-I183 WeakPolarHBondContact O-CG1 3.3Å; V179-I183 PolarHBondContact O-N 2.86Å; P180-I183 PolarHBondContact O-N 3.34Å; I183-L185 PolarHBondContact O-N 3.38Å; I183-S186 VanDerWaalsContact O-CB 3.28Å; I183-S186 WeakPolarHBondContact O-CB 3.38Å; I183-S186 PolarHBondContact O-N 3.26Å; I183-S186 VanDerWaalsContact O-N 3.13Å; I183-T190 HydrophobicContact CG2-CG2 3.9Å; I183-N193 HydrophobicContact CD1-CB 3.92Å; I183-N193 HydrophobicContact CG1-CB 4.01Å; I183-E194 HydrophobicContact CG2-CG 4Å; I183-L197 HydrophobicContact CD1-CB 4.39Å; I183-L197 HydrophobicContact CD1-CD2 3.96Å |
| 184 | R | 86 | Confident | 88.1 | Confident | 100 Ų | 100 | 35.5 Ų | 35.5 | 38% | 0.377 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -66 | -25.4 | 178.8 | -71.6 | 173.5 | -169.6 | 164.7 | 5.5 | 113.7 | P180 S181 L182 S186 | P180-R184 VanDerWaalsContact O-CG 3.31Å; P180-R184 WeakPolarHBondContact O-CG 3.33Å; P180-R184 PolarHBondContact O-N 3.28Å; P180-R184 VanDerWaalsContact O-N 3.11Å; S181-R184 PolarHBondContact O-N 3.18Å; L182-R184 VanDerWaalsContact C-N 3.3Å; L182-R184 PolarHBondContact O-N 3.48Å; R184-S186 VanDerWaalsContact C-N 3.27Å |
| 185 | L | 87 | Confident | 89 | Confident | 14 Ų | 14 | 40.5 Ų | 40.5 | 7% | 0.073 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -13.1 | 176.5 | -177.5 | 57.9 | 0 | 0 | 0 | 112.8 | F10 F166 C167 Q171 I172 S181 L182 I183 | F10-L185 HydrophobicContact CD1-CD2 3.64Å; F10-L185 HydrophobicContact CE1-CD2 3.65Å; F166-L185 HydrophobicContact CB-CD2 4.49Å; F166-L185 HydrophobicContact CB-CG 4.34Å; F166-L185 HydrophobicContact CD1-CB 4.23Å; F166-L185 HydrophobicContact CD1-CD2 4.09Å; F166-L185 HydrophobicContact CD1-CG 4.03Å; F166-L185 HydrophobicContact CG-CD2 4.45Å; C167-L185 HydrophobicContact CB-CD1 4.4Å; C167-L185 PolarHBondContact N-O 3.41Å; C167-L185 PolarHBondContact SG-O 3.49Å; Q171-L185 WeakPolarHBondContact O-CD1 3.46Å; I172-L185 HydrophobicContact CG1-CD2 3.78Å; S181-L185 PolarHBondContact O-N 3.47Å; L182-L185 PolarHBondContact O-N 2.73Å; I183-L185 PolarHBondContact O-N 3.38Å |
| 186 | S | 88.9 | Confident | 89.9 | Confident | 17 Ų | 17 | 40.5 Ų | 40.5 | 12% | 0.119 | 22% | 0.217 | C | C | . | . | B | Isolated β-bridge | trans | -69.9 | 135.3 | 178.7 | 179.5 | 0 | 0 | 0 | 0 | 111.6 | P165 L182 I183 R184 G188 T190 | P165-S186 WeakPolarHBondContact O-CA 2.92Å; P165-S186 PolarHBondContact O-OG 3.34Å; L182-S186 PolarHBondContact O-N 2.91Å; I183-S186 VanDerWaalsContact O-CB 3.28Å; I183-S186 WeakPolarHBondContact O-CB 3.38Å; I183-S186 PolarHBondContact O-N 3.26Å; I183-S186 VanDerWaalsContact O-N 3.13Å; R184-S186 VanDerWaalsContact C-N 3.27Å; S186-G188 PolarHBondContact OG-N 3.22Å; S186-G188 PolarHBondContact OG-O 3.02Å; S186-T190 VanDerWaalsContact CB-CG2 3.48Å |
| 187 | C | 89.2 | Confident | 90.6 | Very high | 93 Ų | 93 | 41.8 Ų | 41.8 | 63% | 0.628 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -96.1 | -4.7 | 171.3 | -91.2 | 0 | 0 | 0 | 0 | 112.5 | P165 C167 | P165-C187 PolarHBondContact O-N 2.69Å; C167-C187 VanDerWaalsContact CA-SG 3.57Å; C167-C187 HydrophobicContact CB-CB 4.15Å; C167-C187 WeakPolarHBondContact CB-SG 2.99Å; C167-C187 VanDerWaalsContact SG-CA 3.53Å; C167-C187 WeakPolarHBondContact SG-CB 3.41Å; C167-C187 PolarHBondContact SG-N 2.93Å; C167-C187 VanDerWaalsContact SG-N 3.43Å; C167-C187 CovalentContact SG-SG 2.03Å; C167-C187 PolarHBondContact SG-SG 2.76Å |
| 188 | G | 89.9 | Confident | 90.9 | Very high | 33 Ų | 33 | 44.4 Ų | 44.4 | 34% | 0.34 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -111.5 | -168.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | S186 T190 | S186-G188 PolarHBondContact OG-N 3.22Å; S186-G188 PolarHBondContact OG-O 3.02Å; G188-T190 PolarHBondContact O-N 3.45Å |
| 189 | D | 91 | Very high | 91.2 | Very high | 121 Ų | 121 | 47.9 Ų | 47.9 | 65% | 0.647 | 27% | 0.267 | S | S | * | . | trans | -64.3 | 121.4 | -178.7 | -176 | 15.7 | 0 | 0 | 0 | 111.9 | S191 | D189-S191 WeakPolarHBondContact OD1-CB 3.32Å; D189-S191 PolarHBondContact OD1-N 2.84Å; D189-S191 PolarHBondContact OD1-OG 3.44Å | ||
| 190 | T | 92.8 | Very high | 91.4 | Very high | 23 Ų | 23 | 48.8 Ų | 48.8 | 14% | 0.141 | 27% | 0.273 | C | S | . | . | trans | -103.1 | -0.5 | 179 | 52.3 | 0 | 0 | 0 | 0 | 112.9 | L164 I183 S186 G188 Y192 N193 E194 | L164-T190 HydrophobicContact CD2-CG2 4.19Å; I183-T190 HydrophobicContact CG2-CG2 3.9Å; S186-T190 VanDerWaalsContact CB-CG2 3.48Å; G188-T190 PolarHBondContact O-N 3.45Å; T190-Y192 VanDerWaalsContact C-N 3.32Å; T190-Y192 PolarHBondContact O-N 3.41Å; T190-N193 PolarHBondContact O-N 2.88Å; T190-E194 WeakPolarHBondContact CB-OE1 3.27Å; T190-E194 WeakPolarHBondContact O-CG 3.09Å; T190-E194 PolarHBondContact O-N 2.88Å; T190-E194 PolarHBondContact OG1-OE1 3.2Å | ||
| 191 | S | 92.8 | Very high | 91.7 | Very high | 60 Ų | 60 | 48.5 Ų | 48.5 | 42% | 0.42 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -52.8 | -46.2 | -169.3 | -60.1 | 0 | 0 | 0 | 0 | 113 | D189 N193 E194 I195 | D189-S191 WeakPolarHBondContact OD1-CB 3.32Å; D189-S191 PolarHBondContact OD1-N 2.84Å; D189-S191 PolarHBondContact OD1-OG 3.44Å; S191-N193 PolarHBondContact O-N 3.15Å; S191-E194 PolarHBondContact O-N 2.92Å; S191-I195 VanDerWaalsContact O-CG1 3.27Å; S191-I195 WeakPolarHBondContact O-CG1 3.32Å; S191-I195 PolarHBondContact O-N 2.91Å |
| 192 | Y | 94.2 | Very high | 92.1 | Very high | 153 Ų | 153 | 51.8 Ų | 51.8 | 60% | 0.6 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -60.3 | -47.8 | 177.4 | 176.9 | -97.3 | 0 | 0 | 0 | 112.3 | T190 E194 I195 Q196 | T190-Y192 VanDerWaalsContact C-N 3.32Å; T190-Y192 PolarHBondContact O-N 3.41Å; Y192-E194 VanDerWaalsContact C-N 3.33Å; Y192-E194 PolarHBondContact O-N 3.37Å; Y192-I195 PolarHBondContact O-N 2.73Å; Y192-Q196 VanDerWaalsContact CE1-OE1 3.24Å; Y192-Q196 VanDerWaalsContact O-CB 3.31Å; Y192-Q196 WeakPolarHBondContact O-CB 3.21Å; Y192-Q196 PolarHBondContact O-N 2.64Å |
| 193 | N | 93.9 | Very high | 92.5 | Very high | 10 Ų | 10 | 55.9 Ų | 55.9 | 5% | 0.053 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.6 | -34.4 | -179.2 | -82.1 | -78.7 | 0 | 0 | 0 | 111.9 | S160 T161 L164 I183 T190 S191 Q196 L197 | S160-N193 VanDerWaalsContact C-OD1 3.23Å; S160-N193 PolarHBondContact O-ND2 3.32Å; S160-N193 PolarHBondContact O-OD1 2.96Å; T161-N193 WeakPolarHBondContact CA-OD1 3.28Å; T161-N193 PolarHBondContact N-OD1 3.46Å; L164-N193 HydrophobicContact CD1-CB 4.33Å; L164-N193 HydrophobicContact CD2-CB 4.45Å; L164-N193 VanDerWaalsContact CD2-ND2 3.26Å; L164-N193 WeakPolarHBondContact CD2-ND2 3.46Å; L164-N193 WeakPolarHBondContact CG-ND2 3.35Å; I183-N193 HydrophobicContact CD1-CB 3.92Å; I183-N193 HydrophobicContact CG1-CB 4.01Å; T190-N193 PolarHBondContact O-N 2.88Å; S191-N193 PolarHBondContact O-N 3.15Å; N193-Q196 PolarHBondContact O-N 2.99Å; N193-L197 VanDerWaalsContact O-CB 3.25Å; N193-L197 WeakPolarHBondContact O-CB 3.3Å; N193-L197 PolarHBondContact O-N 3.07Å |
| 194 | E | 92.7 | Very high | 92.7 | Very high | 60 Ų | 60 | 57 Ų | 57 | 28% | 0.28 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -67.6 | -43.7 | 174.8 | -71.4 | -176.9 | -162.7 | 0 | 0 | 112 | I183 T190 S191 Y192 Q196 L197 A198 K261 | I183-E194 HydrophobicContact CG2-CG 4Å; T190-E194 WeakPolarHBondContact CB-OE1 3.27Å; T190-E194 WeakPolarHBondContact O-CG 3.09Å; T190-E194 PolarHBondContact O-N 2.88Å; T190-E194 PolarHBondContact OG1-OE1 3.2Å; S191-E194 PolarHBondContact O-N 2.92Å; Y192-E194 VanDerWaalsContact C-N 3.33Å; Y192-E194 PolarHBondContact O-N 3.37Å; E194-Q196 VanDerWaalsContact C-N 3.34Å; E194-L197 PolarHBondContact O-N 3.16Å; E194-A198 WeakPolarHBondContact O-CB 3.38Å; E194-A198 PolarHBondContact O-N 3.24Å; E194-K261 IonicContact OE1-NZ 2.64Å; E194-K261 PolarHBondContact OE1-NZ 2.81Å; E194-K261 IonicContact OE2-NZ 2.73Å; E194-K261 PolarHBondContact OE2-NZ 2.97Å |
| 195 | I | 94.2 | Very high | 93.2 | Very high | 112 Ų | 112 | 52.7 Ų | 52.7 | 57% | 0.574 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -62.7 | -45.1 | 174.3 | -68.1 | 165.4 | 0 | 0 | 0 | 110 | S191 Y192 L197 A198 V199 | S191-I195 VanDerWaalsContact O-CG1 3.27Å; S191-I195 WeakPolarHBondContact O-CG1 3.32Å; S191-I195 PolarHBondContact O-N 2.91Å; Y192-I195 PolarHBondContact O-N 2.73Å; I195-L197 PolarHBondContact O-N 2.76Å; I195-A198 PolarHBondContact O-N 3.05Å; I195-V199 HydrophobicContact CG2-CG2 4.34Å; I195-V199 WeakPolarHBondContact O-CG2 3.4Å; I195-V199 PolarHBondContact O-N 3.46Å |
| 196 | Q | 94.9 | Very high | 93.6 | Very high | 20 Ų | 20 | 54.8 Ų | 54.8 | 9% | 0.093 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.1 | -42.8 | 179.4 | -162.1 | -172.6 | -13 | 0 | 0 | 111.9 | V156 Q157 S160 Y192 N193 E194 S200 | V156-Q196 PolarHBondContact O-NE2 2.91Å; Q157-Q196 VanDerWaalsContact CA-NE2 3.31Å; S160-Q196 PolarHBondContact OG-NE2 3.36Å; S160-Q196 PolarHBondContact OG-OE1 3.22Å; Y192-Q196 VanDerWaalsContact CE1-OE1 3.24Å; Y192-Q196 VanDerWaalsContact O-CB 3.31Å; Y192-Q196 WeakPolarHBondContact O-CB 3.21Å; Y192-Q196 PolarHBondContact O-N 2.64Å; N193-Q196 PolarHBondContact O-N 2.99Å; E194-Q196 VanDerWaalsContact C-N 3.34Å; Q196-S200 VanDerWaalsContact O-CB 3.3Å; Q196-S200 WeakPolarHBondContact O-CB 3.28Å; Q196-S200 PolarHBondContact O-N 3Å; Q196-S200 PolarHBondContact O-OG 2.98Å |
| 197 | L | 94 | Very high | 94 | Very high | 26 Ų | 26 | 57.4 Ų | 57.4 | 14% | 0.136 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.4 | -43.1 | 175.2 | -177.2 | 63.2 | 0 | 0 | 0 | 111.4 | V179 P180 I183 N193 E194 I195 S200 S201 Y257 | V179-L197 HydrophobicContact CB-CD1 4.32Å; V179-L197 HydrophobicContact CG1-CD1 3.93Å; V179-L197 HydrophobicContact CG1-CD2 4.39Å; P180-L197 HydrophobicContact CG-CD2 4.28Å; I183-L197 HydrophobicContact CD1-CB 4.39Å; I183-L197 HydrophobicContact CD1-CD2 3.96Å; N193-L197 VanDerWaalsContact O-CB 3.25Å; N193-L197 WeakPolarHBondContact O-CB 3.3Å; N193-L197 PolarHBondContact O-N 3.07Å; E194-L197 PolarHBondContact O-N 3.16Å; I195-L197 PolarHBondContact O-N 2.76Å; L197-S200 PolarHBondContact O-N 3.41Å; L197-S201 VanDerWaalsContact O-CB 3.29Å; L197-S201 WeakPolarHBondContact O-CB 3.44Å; L197-S201 PolarHBondContact O-N 3.25Å; L197-S201 PolarHBondContact O-OG 3.38Å; L197-Y257 HydrophobicContact CD1-CD1 3.78Å; L197-Y257 HydrophobicContact CD1-CE1 4.03Å |
| 198 | A | 93.6 | Very high | 94.4 | Very high | 55 Ų | 55 | 53.4 Ų | 53.4 | 46% | 0.455 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.6 | -47.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | E194 I195 S200 S201 V202 | E194-A198 WeakPolarHBondContact O-CB 3.38Å; E194-A198 PolarHBondContact O-N 3.24Å; I195-A198 PolarHBondContact O-N 3.05Å; A198-S200 PolarHBondContact O-N 3.39Å; A198-S201 PolarHBondContact O-N 3.12Å; A198-V202 WeakPolarHBondContact O-CG2 3.24Å; A198-V202 PolarHBondContact O-N 3.41Å |
| 199 | V | 95.5 | Very high | 94.7 | Very high | 78 Ų | 78 | 53.5 Ų | 53.5 | 47% | 0.473 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.9 | -46.9 | 177 | 171.4 | 0 | 0 | 0 | 0 | 110.7 | I195 S201 V202 I203 | I195-V199 HydrophobicContact CG2-CG2 4.34Å; I195-V199 WeakPolarHBondContact O-CG2 3.4Å; I195-V199 PolarHBondContact O-N 3.46Å; V199-S201 VanDerWaalsContact C-N 3.32Å; V199-S201 PolarHBondContact O-N 3.18Å; V199-V202 PolarHBondContact O-N 3.49Å; V199-I203 HydrophobicContact CG1-CD1 3.77Å; V199-I203 WeakPolarHBondContact O-CG1 3.47Å; V199-I203 PolarHBondContact O-N 2.99Å |
| 200 | S | 95 | Very high | 95 | Very high | 19 Ų | 19 | 50.8 Ų | 50.8 | 13% | 0.133 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.8 | -41.7 | 177.1 | -61.1 | 0 | 0 | 0 | 0 | 111.7 | Q196 L197 A198 V202 I203 F204 | Q196-S200 VanDerWaalsContact O-CB 3.3Å; Q196-S200 WeakPolarHBondContact O-CB 3.28Å; Q196-S200 PolarHBondContact O-N 3Å; Q196-S200 PolarHBondContact O-OG 2.98Å; L197-S200 PolarHBondContact O-N 3.41Å; A198-S200 PolarHBondContact O-N 3.39Å; S200-V202 VanDerWaalsContact C-N 3.34Å; S200-V202 PolarHBondContact O-N 3.42Å; S200-I203 PolarHBondContact O-N 2.88Å; S200-F204 WeakPolarHBondContact O-CB 3.22Å; S200-F204 WeakPolarHBondContact O-CD2 3.27Å; S200-F204 PolarHBondContact O-N 3.38Å |
| 201 | S | 94.6 | Very high | 95.3 | Very high | 6 Ų | 6 | 54 Ų | 54 | 4% | 0.042 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64 | -38.2 | 177.8 | -59.9 | 0 | 0 | 0 | 0 | 111.8 | L197 A198 V199 V205 V206 | L197-S201 VanDerWaalsContact O-CB 3.29Å; L197-S201 WeakPolarHBondContact O-CB 3.44Å; L197-S201 PolarHBondContact O-N 3.25Å; L197-S201 PolarHBondContact O-OG 3.38Å; A198-S201 PolarHBondContact O-N 3.12Å; V199-S201 VanDerWaalsContact C-N 3.32Å; V199-S201 PolarHBondContact O-N 3.18Å; S201-V205 WeakPolarHBondContact O-CA 3.39Å; S201-V205 WeakPolarHBondContact O-CB 3.35Å; S201-V205 PolarHBondContact O-N 2.87Å; S201-V206 PolarHBondContact O-N 2.92Å |
| 202 | V | 95.8 | Very high | 95.5 | Very high | 78 Ų | 78 | 51.1 Ų | 51.1 | 47% | 0.473 | 28% | 0.281 | S | S | . | . | I | π-helix | trans | -63.5 | -49.3 | 174.3 | 172.4 | 0 | 0 | 0 | 0 | 110.8 | A198 V199 S200 V206 V207 | A198-V202 WeakPolarHBondContact O-CG2 3.24Å; A198-V202 PolarHBondContact O-N 3.41Å; V199-V202 PolarHBondContact O-N 3.49Å; S200-V202 VanDerWaalsContact C-N 3.34Å; S200-V202 PolarHBondContact O-N 3.42Å; V202-V206 PolarHBondContact O-N 3.24Å; V202-V207 WeakPolarHBondContact O-CG2 3.21Å; V202-V207 PolarHBondContact O-N 3.43Å |
| 203 | I | 96.4 | Very high | 95.6 | Very high | 86 Ų | 86 | 49 Ų | 49 | 44% | 0.441 | 28% | 0.28 | S | S | . | . | I | π-helix | trans | -68.5 | -40.8 | -174.8 | -65.7 | 170.1 | 0 | 0 | 0 | 112.2 | V199 S200 P208 | V199-I203 HydrophobicContact CG1-CD1 3.77Å; V199-I203 WeakPolarHBondContact O-CG1 3.47Å; V199-I203 PolarHBondContact O-N 2.99Å; S200-I203 PolarHBondContact O-N 2.88Å; I203-P208 WeakPolarHBondContact O-CD 3.17Å |
| 204 | F | 95.6 | Very high | 95.8 | Very high | 32 Ų | 32 | 51.7 Ų | 51.7 | 14% | 0.14 | 30% | 0.303 | C | S | . | . | I | π-helix | trans | -108.9 | -11.5 | -169.1 | -64.5 | -70 | 0 | 0 | 0 | 114.6 | T107 C110 I111 M149 Q153 S200 P208 | T107-F204 HydrophobicContact CG2-CB 3.89Å; T107-F204 HydrophobicContact CG2-CD1 3.19Å; T107-F204 HydrophobicContact CG2-CD2 4.19Å; T107-F204 HydrophobicContact CG2-CE1 3.66Å; T107-F204 HydrophobicContact CG2-CG 3.49Å; T107-F204 VanDerWaalsContact CG2-CG 3.49Å; T107-F204 HydrophobicContact CG2-CZ 4.32Å; C110-F204 VanDerWaalsContact CB-O 3.24Å; C110-F204 WeakPolarHBondContact CB-O 3.2Å; C110-F204 PolarHBondContact SG-O 3.35Å; I111-F204 HydrophobicContact CD1-CD1 4.2Å; I111-F204 HydrophobicContact CD1-CE1 4.2Å; M149-F204 HydrophobicContact CB-CE1 4.46Å; Q153-F204 HydrophobicContact CB-CE2 3.8Å; Q153-F204 HydrophobicContact CB-CZ 3.89Å; Q153-F204 HydrophobicContact CG-CD2 3.84Å; Q153-F204 HydrophobicContact CG-CE2 3.45Å; Q153-F204 VanDerWaalsContact CG-CE2 3.45Å; Q153-F204 HydrophobicContact CG-CZ 4.07Å; S200-F204 WeakPolarHBondContact O-CB 3.22Å; S200-F204 WeakPolarHBondContact O-CD2 3.27Å; S200-F204 PolarHBondContact O-N 3.38Å; F204-P208 WeakPolarHBondContact O-CG 3.49Å |
| 205 | V | 95 | Very high | 96 | Very high | 11 Ų | 11 | 49.7 Ų | 49.7 | 7% | 0.067 | 30% | 0.296 | C | S | . | . | I | π-helix | trans | -114.3 | -58.5 | 174.9 | -172.6 | 0 | 0 | 0 | 0 | 110.3 | S201 L209 Y250 V253 I254 L258 | S201-V205 WeakPolarHBondContact O-CA 3.39Å; S201-V205 WeakPolarHBondContact O-CB 3.35Å; S201-V205 PolarHBondContact O-N 2.87Å; V205-L209 WeakPolarHBondContact O-CB 3.28Å; V205-L209 PolarHBondContact O-N 3.14Å; V205-Y250 HydrophobicContact CG1-CD1 3.91Å; V205-Y250 HydrophobicContact CG1-CE1 3.87Å; V205-Y250 WeakPolarHBondContact O-CE1 3.16Å; V205-V253 HydrophobicContact CG1-CG1 3.97Å; V205-V253 HydrophobicContact CG2-CG1 3.84Å; V205-I254 HydrophobicContact CG1-CG1 4.26Å; V205-L258 HydrophobicContact CG1-CD1 4.26Å |
| 206 | V | 95.9 | Very high | 96 | Very high | 57 Ų | 57 | 45.1 Ų | 45.1 | 35% | 0.345 | 27% | 0.272 | S | S | . | . | I | π-helix | trans | -69.9 | -48.6 | -171.5 | -178.1 | 0 | 0 | 0 | 0 | 112.2 | S201 V202 L209 S210 L258 | S201-V206 PolarHBondContact O-N 2.92Å; V202-V206 PolarHBondContact O-N 3.24Å; V206-L209 PolarHBondContact O-N 3.46Å; V206-S210 WeakPolarHBondContact O-CB 3.26Å; V206-S210 PolarHBondContact O-N 3.43Å; V206-S210 PolarHBondContact O-OG 3.49Å; V206-L258 HydrophobicContact CG2-CD1 4.26Å |
| 207 | V | 97.5 | Very high | 96 | Very high | 72 Ų | 72 | 45.8 Ų | 45.8 | 44% | 0.436 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.4 | -50.5 | 178.8 | 167.5 | 0 | 0 | 0 | 0 | 111.3 | V202 L209 S210 L211 | V202-V207 WeakPolarHBondContact O-CG2 3.21Å; V202-V207 PolarHBondContact O-N 3.43Å; V207-L209 PolarHBondContact O-N 2.95Å; V207-S210 WeakPolarHBondContact O-CB 3.42Å; V207-S210 PolarHBondContact O-N 3.01Å; V207-S210 VanDerWaalsContact O-N 3.16Å; V207-L211 HydrophobicContact CG1-CD1 4.15Å; V207-L211 WeakPolarHBondContact O-CG 3.31Å; V207-L211 PolarHBondContact O-N 2.91Å |
| 208 | P | 97.3 | Very high | 96.1 | Very high | 10 Ų | 10 | 46.1 Ų | 46.1 | 7% | 0.065 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -56.8 | -46.4 | 175.9 | -35.3 | 45.1 | 0 | 0 | 0 | 112.9 | T114 I203 F204 S210 L211 I212 Y250 | T114-P208 VanDerWaalsContact OG1-CB 3.27Å; T114-P208 WeakPolarHBondContact OG1-CB 3.26Å; T114-P208 PolarHBondContact OG1-O 2.69Å; I203-P208 WeakPolarHBondContact O-CD 3.17Å; F204-P208 WeakPolarHBondContact O-CG 3.49Å; P208-S210 VanDerWaalsContact C-N 3.32Å; P208-S210 PolarHBondContact O-N 3.42Å; P208-L211 PolarHBondContact O-N 3.22Å; P208-I212 VanDerWaalsContact O-CG1 3.28Å; P208-I212 WeakPolarHBondContact O-CG1 3.49Å; P208-I212 PolarHBondContact O-N 2.98Å; P208-Y250 WeakPolarHBondContact CB-OH 3.37Å |
| 209 | L | 96.9 | Very high | 96.1 | Very high | 34 Ų | 34 | 43.6 Ų | 43.6 | 18% | 0.178 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61 | -42 | 176.6 | -177.8 | 59.4 | 0 | 0 | 0 | 112.2 | V205 V206 V207 L211 I212 L213 V246 Y250 I254 | V205-L209 WeakPolarHBondContact O-CB 3.28Å; V205-L209 PolarHBondContact O-N 3.14Å; V206-L209 PolarHBondContact O-N 3.46Å; V207-L209 PolarHBondContact O-N 2.95Å; L209-L211 VanDerWaalsContact C-N 3.33Å; L209-L211 PolarHBondContact O-N 3.49Å; L209-I212 PolarHBondContact O-N 3.29Å; L209-L213 HydrophobicContact CD1-CD1 4.41Å; L209-L213 HydrophobicContact CD1-CG 4.26Å; L209-L213 HydrophobicContact CG-CD1 4.13Å; L209-L213 HydrophobicContact CG-CG 4.41Å; L209-L213 VanDerWaalsContact O-CG 3.3Å; L209-L213 WeakPolarHBondContact O-CG 3.44Å; L209-L213 PolarHBondContact O-N 3.38Å; L209-V246 HydrophobicContact CD1-CG1 4.45Å; L209-Y250 HydrophobicContact CB-CD1 3.89Å; L209-Y250 HydrophobicContact CB-CE1 3.73Å; L209-Y250 HydrophobicContact CD1-CD1 4.02Å; L209-Y250 HydrophobicContact CD1-CD2 4.21Å; L209-Y250 HydrophobicContact CD1-CE1 4.47Å; L209-Y250 HydrophobicContact CD1-CG 3.87Å; L209-Y250 HydrophobicContact CD2-CD1 4.07Å; L209-Y250 HydrophobicContact CG-CD1 4.22Å; L209-I254 HydrophobicContact CD2-CD1 3.75Å |
| 210 | S | 97.3 | Very high | 96 | Very high | 64 Ų | 64 | 42.3 Ų | 42.3 | 45% | 0.448 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.2 | -42 | 178.2 | -57.9 | 0 | 0 | 0 | 0 | 111.4 | V206 V207 P208 L213 A214 | V206-S210 WeakPolarHBondContact O-CB 3.26Å; V206-S210 PolarHBondContact O-N 3.43Å; V206-S210 PolarHBondContact O-OG 3.49Å; V207-S210 WeakPolarHBondContact O-CB 3.42Å; V207-S210 PolarHBondContact O-N 3.01Å; V207-S210 VanDerWaalsContact O-N 3.16Å; P208-S210 VanDerWaalsContact C-N 3.32Å; P208-S210 PolarHBondContact O-N 3.42Å; S210-L213 PolarHBondContact O-N 2.85Å; S210-A214 WeakPolarHBondContact O-CB 3.35Å; S210-A214 PolarHBondContact O-N 2.91Å |
| 211 | L | 97.9 | Very high | 95.9 | Very high | 91 Ų | 91 | 47.2 Ų | 47.2 | 48% | 0.476 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.8 | -40.4 | 175.2 | -68.1 | 173.8 | 0 | 0 | 0 | 111.9 | T114 V207 P208 L209 S215 | T114-L211 HydrophobicContact CG2-CB 3.81Å; T114-L211 HydrophobicContact CG2-CD1 4.07Å; V207-L211 HydrophobicContact CG1-CD1 4.15Å; V207-L211 WeakPolarHBondContact O-CG 3.31Å; V207-L211 PolarHBondContact O-N 2.91Å; P208-L211 PolarHBondContact O-N 3.22Å; L209-L211 VanDerWaalsContact C-N 3.33Å; L209-L211 PolarHBondContact O-N 3.49Å; L211-S215 VanDerWaalsContact O-CB 3.28Å; L211-S215 WeakPolarHBondContact O-CB 3.23Å; L211-S215 PolarHBondContact O-N 3.33Å; L211-S215 PolarHBondContact O-OG 2.7Å |
| 212 | I | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.4 | -49.3 | 174.6 | -68 | 165.3 | 0 | 0 | 0 | 110.2 | L113 T114 A117 P208 L209 A214 S215 Y216 V246 Y250 | L113-I212 HydrophobicContact CB-CD1 4.24Å; T114-I212 HydrophobicContact CG2-CG1 4.36Å; A117-I212 HydrophobicContact CB-CB 4.22Å; A117-I212 HydrophobicContact CB-CG1 3.88Å; A117-I212 HydrophobicContact CB-CG2 4.03Å; P208-I212 VanDerWaalsContact O-CG1 3.28Å; P208-I212 WeakPolarHBondContact O-CG1 3.49Å; P208-I212 PolarHBondContact O-N 2.98Å; L209-I212 PolarHBondContact O-N 3.29Å; I212-A214 PolarHBondContact O-N 2.87Å; I212-S215 PolarHBondContact O-N 3.43Å; I212-Y216 HydrophobicContact CG2-CD2 3.74Å; I212-Y216 HydrophobicContact CG2-CE2 4.07Å; I212-Y216 WeakPolarHBondContact O-CD2 3.32Å; I212-Y216 PolarHBondContact O-N 3.46Å; I212-V246 HydrophobicContact CD1-CG1 4.3Å; I212-V246 HydrophobicContact CD1-CG2 4.34Å; I212-V246 HydrophobicContact CG2-CG1 3.87Å; I212-V246 HydrophobicContact CG2-CG2 4.22Å; I212-Y250 HydrophobicContact CD1-CD2 4.48Å; I212-Y250 HydrophobicContact CD1-CE2 3.62Å |
| 213 | L | 96.8 | Very high | 95.6 | Very high | 108 Ų | 108 | 45.2 Ų | 45.2 | 57% | 0.565 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -62.9 | -42.7 | -179.4 | -69.6 | 175 | 0 | 0 | 0 | 111.9 | L209 S210 Y216 G217 | L209-L213 HydrophobicContact CD1-CD1 4.41Å; L209-L213 HydrophobicContact CD1-CG 4.26Å; L209-L213 HydrophobicContact CG-CD1 4.13Å; L209-L213 HydrophobicContact CG-CG 4.41Å; L209-L213 VanDerWaalsContact O-CG 3.3Å; L209-L213 WeakPolarHBondContact O-CG 3.44Å; L209-L213 PolarHBondContact O-N 3.38Å; S210-L213 PolarHBondContact O-N 2.85Å; L213-Y216 PolarHBondContact O-N 3.06Å; L213-G217 PolarHBondContact O-N 3.29Å |
| 214 | A | 97.3 | Very high | 95.3 | Very high | 66 Ų | 66 | 47.9 Ų | 47.9 | 55% | 0.545 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.7 | -45.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | S210 I212 Y216 G217 A218 | S210-A214 WeakPolarHBondContact O-CB 3.35Å; S210-A214 PolarHBondContact O-N 2.91Å; I212-A214 PolarHBondContact O-N 2.87Å; A214-Y216 PolarHBondContact O-N 3.48Å; A214-G217 PolarHBondContact O-N 3.36Å; A214-A218 PolarHBondContact O-N 3.11Å; A214-A218 VanDerWaalsContact O-N 3.09Å |
| 215 | S | 97 | Very high | 95.1 | Very high | 19 Ų | 19 | 55.8 Ų | 55.8 | 13% | 0.133 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.3 | -44.4 | 177.8 | -60.6 | 0 | 0 | 0 | 0 | 111.5 | L211 I212 A218 T219 | L211-S215 VanDerWaalsContact O-CB 3.28Å; L211-S215 WeakPolarHBondContact O-CB 3.23Å; L211-S215 PolarHBondContact O-N 3.33Å; L211-S215 PolarHBondContact O-OG 2.7Å; I212-S215 PolarHBondContact O-N 3.43Å; S215-A218 PolarHBondContact O-N 2.88Å; S215-T219 WeakPolarHBondContact O-CB 3.43Å; S215-T219 PolarHBondContact O-N 3.16Å; S215-T219 PolarHBondContact O-OG1 3.03Å |
| 216 | Y | 95.5 | Very high | 94.8 | Very high | 16 Ų | 16 | 57.6 Ų | 57.6 | 6% | 0.063 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -74.3 | -29.4 | 177.8 | -87.6 | -72.3 | 0 | 0 | 0 | 113.8 | A117 I212 L213 A214 T219 A220 C239 H242 L243 | A117-Y216 HydrophobicContact CB-CD2 4.2Å; A117-Y216 HydrophobicContact CB-CE2 3.73Å; I212-Y216 HydrophobicContact CG2-CD2 3.74Å; I212-Y216 HydrophobicContact CG2-CE2 4.07Å; I212-Y216 WeakPolarHBondContact O-CD2 3.32Å; I212-Y216 PolarHBondContact O-N 3.46Å; L213-Y216 PolarHBondContact O-N 3.06Å; A214-Y216 PolarHBondContact O-N 3.48Å; Y216-T219 PolarHBondContact O-N 3.48Å; Y216-A220 WeakPolarHBondContact O-CB 3.36Å; Y216-A220 PolarHBondContact O-N 3.08Å; Y216-C239 HydrophobicContact CE1-CB 3.83Å; Y216-H242 AromaticContact CE2-ND1 3.39Å; Y216-H242 WeakPolarHBondContact CE2-ND1 3.47Å; Y216-H242 AromaticContact CZ-ND1 3.51Å; Y216-H242 VanDerWaalsContact OH-CB 3.22Å; Y216-H242 WeakPolarHBondContact OH-CB 3.28Å; Y216-H242 PolarHBondContact OH-ND1 3.38Å; Y216-L243 HydrophobicContact CD1-CD1 3.63Å; Y216-L243 HydrophobicContact CD1-CD2 3.93Å; Y216-L243 HydrophobicContact CD1-CG 3.69Å; Y216-L243 HydrophobicContact CD2-CD2 3.63Å; Y216-L243 HydrophobicContact CD2-CG 4.13Å; Y216-L243 HydrophobicContact CE1-CD1 3.91Å; Y216-L243 HydrophobicContact CE1-CD2 4.26Å; Y216-L243 HydrophobicContact CE1-CG 3.68Å; Y216-L243 HydrophobicContact CE2-CD2 3.98Å; Y216-L243 HydrophobicContact CE2-CG 4.11Å; Y216-L243 HydrophobicContact CG-CD1 4.14Å; Y216-L243 HydrophobicContact CG-CD2 3.61Å; Y216-L243 HydrophobicContact CG-CG 3.93Å |
| 217 | G | 94.7 | Very high | 94.5 | Very high | 33 Ų | 33 | 62.9 Ų | 62.9 | 34% | 0.34 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.2 | -49.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111 | L213 A214 A220 Q221 | L213-G217 PolarHBondContact O-N 3.29Å; A214-G217 PolarHBondContact O-N 3.36Å; G217-A220 PolarHBondContact O-N 3.23Å; G217-Q221 WeakPolarHBondContact O-CG 3.27Å; G217-Q221 PolarHBondContact O-N 3.38Å |
| 218 | A | 95.5 | Very high | 94.1 | Very high | 33 Ų | 33 | 62.3 Ų | 62.3 | 27% | 0.273 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.6 | -42.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y121 A214 S215 A220 Q221 A222 | Y121-A218 HydrophobicContact CD2-CB 3.82Å; Y121-A218 HydrophobicContact CE2-CB 3.7Å; A214-A218 PolarHBondContact O-N 3.11Å; A214-A218 VanDerWaalsContact O-N 3.09Å; S215-A218 PolarHBondContact O-N 2.88Å; A218-A220 VanDerWaalsContact C-N 3.33Å; A218-A220 PolarHBondContact O-N 3Å; A218-Q221 PolarHBondContact O-N 2.68Å; A218-A222 PolarHBondContact O-N 3.04Å |
| 219 | T | 93.8 | Very high | 93.7 | Very high | 2 Ų | 2 | 65.6 Ų | 65.6 | 1% | 0.012 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -60.3 | -43.3 | 177.6 | -57.3 | 0 | 0 | 0 | 0 | 111.3 | Y121 V124 S215 Y216 Q221 A222 V223 | Y121-T219 WeakPolarHBondContact CA-OG1 3.04Å; V124-T219 HydrophobicContact CB-CG2 4.03Å; V124-T219 HydrophobicContact CG1-CG2 4.14Å; V124-T219 HydrophobicContact CG2-CG2 4Å; S215-T219 WeakPolarHBondContact O-CB 3.43Å; S215-T219 PolarHBondContact O-N 3.16Å; S215-T219 PolarHBondContact O-OG1 3.03Å; Y216-T219 PolarHBondContact O-N 3.48Å; T219-Q221 PolarHBondContact O-N 2.86Å; T219-A222 PolarHBondContact O-N 3.33Å; T219-V223 HydrophobicContact CG2-CG2 4.26Å; T219-V223 VanDerWaalsContact O-CG2 3.31Å; T219-V223 WeakPolarHBondContact O-CG2 3.36Å; T219-V223 PolarHBondContact O-N 2.69Å |
| 220 | A | 92.7 | Very high | 93.2 | Very high | 51 Ų | 51 | 69.5 Ų | 69.5 | 42% | 0.421 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.5 | -44.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y216 G217 A218 A222 V223 L224 | Y216-A220 WeakPolarHBondContact O-CB 3.36Å; Y216-A220 PolarHBondContact O-N 3.08Å; G217-A220 PolarHBondContact O-N 3.23Å; A218-A220 VanDerWaalsContact C-N 3.33Å; A218-A220 PolarHBondContact O-N 3Å; A220-A222 VanDerWaalsContact C-N 3.32Å; A220-A222 PolarHBondContact O-N 2.94Å; A220-V223 PolarHBondContact O-N 3.04Å; A220-L224 VanDerWaalsContact O-CG 3.31Å; A220-L224 WeakPolarHBondContact O-CG 3.29Å; A220-L224 PolarHBondContact O-N 3.19Å |
| 221 | Q | 93.5 | Very high | 92.6 | Very high | 123 Ų | 123 | 68.6 Ų | 68.6 | 58% | 0.575 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -59.6 | -42.9 | 175.2 | -68.4 | 177.7 | 21 | 0 | 0 | 112 | G217 A218 T219 L224 R225 | G217-Q221 WeakPolarHBondContact O-CG 3.27Å; G217-Q221 PolarHBondContact O-N 3.38Å; A218-Q221 PolarHBondContact O-N 2.68Å; T219-Q221 PolarHBondContact O-N 2.86Å; Q221-L224 PolarHBondContact O-N 3.37Å; Q221-R225 WeakPolarHBondContact O-CG 3.09Å; Q221-R225 PolarHBondContact O-N 2.94Å |
| 222 | A | 92.2 | Very high | 92.2 | Very high | 27 Ų | 27 | 68.7 Ų | 68.7 | 22% | 0.223 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -66.6 | -42.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | V124 A218 T219 A220 L224 R225 | V124-A222 HydrophobicContact CG1-CB 3.76Å; A218-A222 PolarHBondContact O-N 3.04Å; T219-A222 PolarHBondContact O-N 3.33Å; A220-A222 VanDerWaalsContact C-N 3.32Å; A220-A222 PolarHBondContact O-N 2.94Å; A222-L224 VanDerWaalsContact C-N 3.32Å; A222-L224 PolarHBondContact O-N 3.37Å; A222-R225 PolarHBondContact O-N 3.47Å; A222-R225 VanDerWaalsContact O-N 3.08Å |
| 223 | V | 90.9 | Very high | 91.6 | Very high | 14 Ų | 14 | 77.9 Ų | 77.9 | 9% | 0.085 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -59.6 | -41.8 | 176.8 | 170.5 | 0 | 0 | 0 | 0 | 111.4 | V124 T219 A220 R225 I226 A235 | V124-V223 HydrophobicContact CG1-CG2 3.87Å; T219-V223 HydrophobicContact CG2-CG2 4.26Å; T219-V223 VanDerWaalsContact O-CG2 3.31Å; T219-V223 WeakPolarHBondContact O-CG2 3.36Å; T219-V223 PolarHBondContact O-N 2.69Å; A220-V223 PolarHBondContact O-N 3.04Å; V223-R225 PolarHBondContact O-N 3.37Å; V223-I226 HydrophobicContact CG2-CD1 4.49Å; V223-I226 WeakPolarHBondContact O-CB 3.45Å; V223-I226 PolarHBondContact O-N 2.83Å; V223-I226 VanDerWaalsContact O-N 3.12Å; V223-A235 HydrophobicContact CG2-CB 3.97Å |
| 224 | L | 90.6 | Very high | 91 | Very high | 142 Ų | 142 | 78.9 Ų | 78.9 | 74% | 0.743 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -63.3 | -21.1 | 178.2 | -70.5 | 172.8 | 0 | 0 | 0 | 113.5 | A220 Q221 A222 | A220-L224 VanDerWaalsContact O-CG 3.31Å; A220-L224 WeakPolarHBondContact O-CG 3.29Å; A220-L224 PolarHBondContact O-N 3.19Å; Q221-L224 PolarHBondContact O-N 3.37Å; A222-L224 VanDerWaalsContact C-N 3.32Å; A222-L224 PolarHBondContact O-N 3.37Å |
| 225 | R | 90.9 | Very high | 90.5 | Very high | 198 Ų | 198 | 76.3 Ų | 76.3 | 75% | 0.747 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -3.5 | 177.7 | -65.6 | 178.4 | -178.4 | -177.3 | 1.7 | 113.8 | Q221 A222 V223 N227 | Q221-R225 WeakPolarHBondContact O-CG 3.09Å; Q221-R225 PolarHBondContact O-N 2.94Å; A222-R225 PolarHBondContact O-N 3.47Å; A222-R225 VanDerWaalsContact O-N 3.08Å; V223-R225 PolarHBondContact O-N 3.37Å; R225-N227 PolarHBondContact O-N 3.04Å |
| 226 | I | 88.9 | Confident | 90 | Very high | 50 Ų | 50 | 80.7 Ų | 80.7 | 26% | 0.256 | 43% | 0.429 | S | S | . | . | trans | -76.7 | 114.6 | -179 | -60.9 | 175.1 | 0 | 0 | 0 | 110 | V223 S228 A231 W232 A235 | V223-I226 HydrophobicContact CG2-CD1 4.49Å; V223-I226 WeakPolarHBondContact O-CB 3.45Å; V223-I226 PolarHBondContact O-N 2.83Å; V223-I226 VanDerWaalsContact O-N 3.12Å; I226-S228 WeakPolarHBondContact CG2-O 3.09Å; I226-A231 HydrophobicContact CG2-CB 3.84Å; I226-W232 HydrophobicContact CB-CB 4.3Å; I226-W232 HydrophobicContact CG2-CB 3.99Å; I226-A235 HydrophobicContact CD1-CB 4.24Å | ||
| 227 | N | 89.4 | Confident | 89.4 | Confident | 167 Ų | 167 | 81 Ų | 81 | 89% | 0.893 | 44% | 0.437 | S | S | * | . | trans | -78.8 | -21.6 | 177.3 | -67.7 | -25.3 | 0 | 0 | 0 | 113.8 | R225 A229 | R225-N227 PolarHBondContact O-N 3.04Å; N227-A229 PolarHBondContact O-N 3.09Å | ||
| 228 | S | 90.6 | Very high | 88.8 | Confident | 61 Ų | 61 | 80.6 Ų | 80.6 | 43% | 0.427 | 43% | 0.428 | S | S | . | . | trans | -82.5 | 113 | 179.8 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | I226 T230 A231 W232 | I226-S228 WeakPolarHBondContact CG2-O 3.09Å; S228-T230 PolarHBondContact O-N 3.36Å; S228-T230 VanDerWaalsContact O-N 3.17Å; S228-A231 PolarHBondContact O-N 2.83Å; S228-A231 VanDerWaalsContact O-N 3.14Å; S228-A231 PolarHBondContact OG-N 2.99Å; S228-W232 VanDerWaalsContact O-CB 3.28Å; S228-W232 WeakPolarHBondContact O-CB 3.23Å; S228-W232 PolarHBondContact O-N 2.89Å | ||
| 229 | A | 88.6 | Confident | 88.5 | Confident | 79 Ų | 79 | 79.5 Ų | 79.5 | 65% | 0.653 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -54.9 | -35.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | N227 R233 | N227-A229 PolarHBondContact O-N 3.09Å; A229-R233 VanDerWaalsContact O-CB 3.23Å; A229-R233 WeakPolarHBondContact O-CB 3.37Å; A229-R233 PolarHBondContact O-N 3.28Å |
| 230 | T | 87 | Confident | 88.3 | Confident | 116 Ų | 116 | 80.4 Ų | 80.4 | 71% | 0.712 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -68.9 | -47.3 | 178.4 | -52.5 | 0 | 0 | 0 | 0 | 111.6 | S228 K234 | S228-T230 PolarHBondContact O-N 3.36Å; S228-T230 VanDerWaalsContact O-N 3.17Å; T230-K234 PolarHBondContact O-N 2.65Å; T230-K234 VanDerWaalsContact O-N 3.08Å |
| 231 | A | 84.6 | Confident | 88.1 | Confident | 44 Ų | 44 | 78.4 Ų | 78.4 | 36% | 0.364 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -66.5 | -42.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | I226 S228 R233 K234 A235 | I226-A231 HydrophobicContact CG2-CB 3.84Å; S228-A231 PolarHBondContact O-N 2.83Å; S228-A231 VanDerWaalsContact O-N 3.14Å; S228-A231 PolarHBondContact OG-N 2.99Å; A231-R233 PolarHBondContact O-N 3.26Å; A231-K234 PolarHBondContact O-N 3.25Å; A231-A235 WeakPolarHBondContact O-CB 3.18Å; A231-A235 PolarHBondContact O-N 3.23Å |
| 232 | W | 88.3 | Confident | 88 | Confident | 94 Ų | 94 | 72.6 Ų | 72.6 | 36% | 0.356 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -57.8 | -49.5 | 176.3 | -175.7 | 92.9 | 0 | 0 | 0 | 111.3 | I226 S228 K234 A235 F236 | I226-W232 HydrophobicContact CB-CB 4.3Å; I226-W232 HydrophobicContact CG2-CB 3.99Å; S228-W232 VanDerWaalsContact O-CB 3.28Å; S228-W232 WeakPolarHBondContact O-CB 3.23Å; S228-W232 PolarHBondContact O-N 2.89Å; W232-K234 VanDerWaalsContact C-N 3.31Å; W232-K234 PolarHBondContact O-N 3.1Å; W232-A235 PolarHBondContact O-N 3.07Å; W232-F236 HydrophobicContact CH2-CD2 4.29Å; W232-F236 HydrophobicContact CH2-CG 4.29Å; W232-F236 HydrophobicContact CZ2-CD2 4.31Å; W232-F236 HydrophobicContact CZ3-CB 4.46Å; W232-F236 WeakPolarHBondContact O-CB 2.91Å; W232-F236 PolarHBondContact O-N 2.65Å |
| 233 | R | 85.9 | Confident | 88 | Confident | 193 Ų | 193 | 74.2 Ų | 74.2 | 73% | 0.728 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -65.5 | -34.1 | -180 | -159.5 | 173.6 | -150.4 | 163.9 | 6.7 | 112.5 | A229 A231 G237 | A229-R233 VanDerWaalsContact O-CB 3.23Å; A229-R233 WeakPolarHBondContact O-CB 3.37Å; A229-R233 PolarHBondContact O-N 3.28Å; A231-R233 PolarHBondContact O-N 3.26Å; R233-G237 PolarHBondContact O-N 3.38Å; R233-G237 VanDerWaalsContact O-N 3.08Å |
| 234 | K | 84.2 | Confident | 88 | Confident | 129 Ų | 129 | 75.7 Ų | 75.7 | 56% | 0.561 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -65.3 | -50.6 | 173.4 | -173.7 | 174.3 | -175.4 | 169.4 | 0 | 110.7 | T230 A231 W232 G237 T238 E294 | T230-K234 PolarHBondContact O-N 2.65Å; T230-K234 VanDerWaalsContact O-N 3.08Å; A231-K234 PolarHBondContact O-N 3.25Å; W232-K234 VanDerWaalsContact C-N 3.31Å; W232-K234 PolarHBondContact O-N 3.1Å; K234-G237 PolarHBondContact O-N 3.22Å; K234-T238 PolarHBondContact O-N 3.13Å; K234-T238 PolarHBondContact O-OG1 3.15Å; K234-E294 IonicContact NZ-OE1 2.65Å; K234-E294 PolarHBondContact NZ-OE1 2.88Å |
| 235 | A | 85.7 | Confident | 88.1 | Confident | 12 Ų | 12 | 68.9 Ų | 68.9 | 10% | 0.099 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.1 | -47 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V124 V223 I226 A231 W232 G237 T238 C239 | V124-A235 HydrophobicContact CG2-CB 4.43Å; V223-A235 HydrophobicContact CG2-CB 3.97Å; I226-A235 HydrophobicContact CD1-CB 4.24Å; A231-A235 WeakPolarHBondContact O-CB 3.18Å; A231-A235 PolarHBondContact O-N 3.23Å; W232-A235 PolarHBondContact O-N 3.07Å; A235-G237 PolarHBondContact O-N 2.99Å; A235-T238 PolarHBondContact O-N 2.84Å; A235-T238 PolarHBondContact O-OG1 2.88Å; A235-T238 VanDerWaalsContact O-OG1 3.12Å; A235-C239 VanDerWaalsContact O-CB 3.25Å; A235-C239 WeakPolarHBondContact O-CB 3.11Å; A235-C239 PolarHBondContact O-N 2.85Å; A235-C239 PolarHBondContact O-SG 3.49Å |
| 236 | F | 85.7 | Confident | 88.2 | Confident | 110 Ų | 110 | 59.7 Ų | 59.7 | 48% | 0.482 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.9 | -43.9 | 177.3 | -174.4 | -94 | 0 | 0 | 0 | 112.1 | W232 T238 S240 | W232-F236 HydrophobicContact CH2-CD2 4.29Å; W232-F236 HydrophobicContact CH2-CG 4.29Å; W232-F236 HydrophobicContact CZ2-CD2 4.31Å; W232-F236 HydrophobicContact CZ3-CB 4.46Å; W232-F236 WeakPolarHBondContact O-CB 2.91Å; W232-F236 PolarHBondContact O-N 2.65Å; F236-T238 PolarHBondContact O-N 2.97Å; F236-S240 WeakPolarHBondContact O-CB 3.42Å; F236-S240 PolarHBondContact O-N 2.71Å; F236-S240 PolarHBondContact O-OG 2.92Å |
| 237 | G | 83.3 | Confident | 88.4 | Confident | 22 Ų | 22 | 61.4 Ų | 61.4 | 23% | 0.227 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.8 | -46.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | R233 K234 A235 S240 S241 | R233-G237 PolarHBondContact O-N 3.38Å; R233-G237 VanDerWaalsContact O-N 3.08Å; K234-G237 PolarHBondContact O-N 3.22Å; A235-G237 PolarHBondContact O-N 2.99Å; G237-S240 PolarHBondContact O-OG 3.16Å; G237-S241 PolarHBondContact O-N 3.38Å; G237-S241 PolarHBondContact O-OG 3.26Å |
| 238 | T | 83.3 | Confident | 88.5 | Confident | 26 Ų | 26 | 55.4 Ų | 55.4 | 16% | 0.16 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -76.4 | -35.9 | -178.9 | 55.1 | 0 | 0 | 0 | 0 | 113.6 | K234 A235 F236 S241 H242 | K234-T238 PolarHBondContact O-N 3.13Å; K234-T238 PolarHBondContact O-OG1 3.15Å; A235-T238 PolarHBondContact O-N 2.84Å; A235-T238 PolarHBondContact O-OG1 2.88Å; A235-T238 VanDerWaalsContact O-OG1 3.12Å; F236-T238 PolarHBondContact O-N 2.97Å; T238-S241 PolarHBondContact O-OG 3.29Å; T238-H242 PolarHBondContact O-N 2.76Å |
| 239 | C | 89 | Confident | 88.6 | Confident | 10 Ų | 10 | 52.6 Ų | 52.6 | 7% | 0.068 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -71.6 | -44 | 179.2 | -68 | 0 | 0 | 0 | 0 | 110.8 | Y216 A235 S241 H242 L243 | Y216-C239 HydrophobicContact CE1-CB 3.83Å; A235-C239 VanDerWaalsContact O-CB 3.25Å; A235-C239 WeakPolarHBondContact O-CB 3.11Å; A235-C239 PolarHBondContact O-N 2.85Å; A235-C239 PolarHBondContact O-SG 3.49Å; C239-S241 VanDerWaalsContact C-N 3.33Å; C239-S241 PolarHBondContact O-N 3.48Å; C239-H242 PolarHBondContact O-N 2.78Å; C239-L243 WeakPolarHBondContact O-CB 3.31Å; C239-L243 PolarHBondContact O-N 2.91Å |
| 240 | S | 88.2 | Confident | 88.8 | Confident | 21 Ų | 21 | 49 Ų | 49 | 15% | 0.147 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65 | -35.3 | 178.9 | 64.1 | 0 | 0 | 0 | 0 | 112.6 | F236 G237 T244 | F236-S240 WeakPolarHBondContact O-CB 3.42Å; F236-S240 PolarHBondContact O-N 2.71Å; F236-S240 PolarHBondContact O-OG 2.92Å; G237-S240 PolarHBondContact O-OG 3.16Å; S240-T244 WeakPolarHBondContact O-CB 3.3Å; S240-T244 PolarHBondContact O-N 2.85Å; S240-T244 PolarHBondContact O-OG1 2.79Å |
| 241 | S | 88.3 | Confident | 89 | Confident | 9 Ų | 9 | 46.1 Ų | 46.1 | 6% | 0.063 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.7 | -48.3 | 175.7 | 56.6 | 0 | 0 | 0 | 0 | 111.4 | G237 T238 C239 T244 V245 V287 | G237-S241 PolarHBondContact O-N 3.38Å; G237-S241 PolarHBondContact O-OG 3.26Å; T238-S241 PolarHBondContact O-OG 3.29Å; C239-S241 VanDerWaalsContact C-N 3.33Å; C239-S241 PolarHBondContact O-N 3.48Å; S241-T244 WeakPolarHBondContact O-CB 3.25Å; S241-T244 PolarHBondContact O-N 3.43Å; S241-V245 PolarHBondContact O-N 2.03Å; S241-V245 VanDerWaalsContact O-N 3.16Å; S241-V287 VanDerWaalsContact O-CG1 3.25Å; S241-V287 WeakPolarHBondContact O-CG1 3.45Å |
| 242 | H | 91.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.3 | -42.1 | 179.1 | -178.7 | -85.9 | 0 | 0 | 0 | 112 | M57 L113 M116 Y216 T238 C239 T244 V245 V246 Y288 | M57-H242 HydrophobicContact CE-CB 4.48Å; L113-H242 PolarHBondContact O-CE1 3.38Å; L113-H242 PolarHBondContact O-NE2 3Å; M116-H242 WeakPolarHBondContact CB-NE2 3.28Å; Y216-H242 AromaticContact CE2-ND1 3.39Å; Y216-H242 WeakPolarHBondContact CE2-ND1 3.47Å; Y216-H242 AromaticContact CZ-ND1 3.51Å; Y216-H242 VanDerWaalsContact OH-CB 3.22Å; Y216-H242 WeakPolarHBondContact OH-CB 3.28Å; Y216-H242 PolarHBondContact OH-ND1 3.38Å; T238-H242 PolarHBondContact O-N 2.76Å; C239-H242 PolarHBondContact O-N 2.78Å; H242-T244 VanDerWaalsContact C-N 3.25Å; H242-T244 PolarHBondContact O-N 3.47Å; H242-V245 PolarHBondContact O-N 3.45Å; H242-V245 VanDerWaalsContact O-N 3.16Å; H242-V246 WeakPolarHBondContact CE1-CG2 3.05Å; H242-V246 WeakPolarHBondContact O-CG2 3.4Å; H242-V246 PolarHBondContact O-N 2.95Å; H242-Y288 PolarHBondContact CD2-OH 2.92Å |
| 243 | L | 93 | Very high | 89.4 | Confident | 61 Ų | 61 | 40 Ų | 40 | 32% | 0.319 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -58.2 | -38.3 | 173.4 | -82.8 | 170.6 | 0 | 0 | 0 | 112.2 | Y216 C239 V246 T247 | Y216-L243 HydrophobicContact CD1-CD1 3.63Å; Y216-L243 HydrophobicContact CD1-CD2 3.93Å; Y216-L243 HydrophobicContact CD1-CG 3.69Å; Y216-L243 HydrophobicContact CD2-CD2 3.63Å; Y216-L243 HydrophobicContact CD2-CG 4.13Å; Y216-L243 HydrophobicContact CE1-CD1 3.91Å; Y216-L243 HydrophobicContact CE1-CD2 4.26Å; Y216-L243 HydrophobicContact CE1-CG 3.68Å; Y216-L243 HydrophobicContact CE2-CD2 3.98Å; Y216-L243 HydrophobicContact CE2-CG 4.11Å; Y216-L243 HydrophobicContact CG-CD1 4.14Å; Y216-L243 HydrophobicContact CG-CD2 3.61Å; Y216-L243 HydrophobicContact CG-CG 3.93Å; C239-L243 WeakPolarHBondContact O-CB 3.31Å; C239-L243 PolarHBondContact O-N 2.91Å; L243-V246 PolarHBondContact O-N 2.91Å; L243-T247 WeakPolarHBondContact O-CB 3.45Å; L243-T247 PolarHBondContact O-N 3.41Å; L243-T247 PolarHBondContact O-OG1 3.36Å |
| 244 | T | 91.8 | Very high | 89.7 | Confident | 45 Ų | 45 | 33.8 Ų | 33.8 | 28% | 0.276 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -60.7 | -48.2 | 175.6 | -56.1 | 0 | 0 | 0 | 0 | 110.6 | S240 S241 H242 T247 L248 V287 | S240-T244 WeakPolarHBondContact O-CB 3.3Å; S240-T244 PolarHBondContact O-N 2.85Å; S240-T244 PolarHBondContact O-OG1 2.79Å; S241-T244 WeakPolarHBondContact O-CB 3.25Å; S241-T244 PolarHBondContact O-N 3.43Å; H242-T244 VanDerWaalsContact C-N 3.25Å; H242-T244 PolarHBondContact O-N 3.47Å; T244-T247 PolarHBondContact O-N 3.1Å; T244-L248 HydrophobicContact CG2-CD1 4.01Å; T244-L248 HydrophobicContact CG2-CG 4.48Å; T244-L248 VanDerWaalsContact O-CG 3.25Å; T244-L248 WeakPolarHBondContact O-CG 3.36Å; T244-L248 PolarHBondContact O-N 3.3Å; T244-V287 HydrophobicContact CG2-CG1 4.46Å; T244-V287 HydrophobicContact CG2-CG2 4.16Å |
| 245 | V | 91.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61 | -49.4 | 177.8 | 170.2 | 0 | 0 | 0 | 0 | 111.3 | L113 S241 H242 T247 L248 F249 N284 V287 Y288 | L113-V245 HydrophobicContact CD2-CG1 3.84Å; S241-V245 PolarHBondContact O-N 2.03Å; S241-V245 VanDerWaalsContact O-N 3.16Å; H242-V245 PolarHBondContact O-N 3.45Å; H242-V245 VanDerWaalsContact O-N 3.16Å; V245-T247 VanDerWaalsContact C-N 3.33Å; V245-T247 PolarHBondContact O-N 2.86Å; V245-L248 PolarHBondContact O-N 2.86Å; V245-F249 WeakPolarHBondContact O-CB 3.47Å; V245-F249 PolarHBondContact O-N 3.09Å; V245-N284 WeakPolarHBondContact CG1-OD1 3.17Å; V245-N284 WeakPolarHBondContact CG2-OD1 3.28Å; V245-V287 HydrophobicContact CG2-CB 4.21Å; V245-V287 HydrophobicContact CG2-CG1 3.98Å; V245-Y288 HydrophobicContact CG2-CD2 4.41Å; V245-Y288 HydrophobicContact CG2-CE2 3.72Å |
| 246 | V | 93.9 | Very high | 89.9 | Confident | 5 Ų | 5 | 28.3 Ų | 28.3 | 3% | 0.03 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -55.7 | -47.8 | 176.4 | 167.2 | 0 | 0 | 0 | 0 | 111.1 | L113 L209 I212 H242 L243 F249 Y250 | L113-V246 HydrophobicContact CB-CG2 4.37Å; L113-V246 HydrophobicContact CD2-CG2 4.36Å; L209-V246 HydrophobicContact CD1-CG1 4.45Å; I212-V246 HydrophobicContact CD1-CG1 4.3Å; I212-V246 HydrophobicContact CD1-CG2 4.34Å; I212-V246 HydrophobicContact CG2-CG1 3.87Å; I212-V246 HydrophobicContact CG2-CG2 4.22Å; H242-V246 WeakPolarHBondContact CE1-CG2 3.05Å; H242-V246 WeakPolarHBondContact O-CG2 3.4Å; H242-V246 PolarHBondContact O-N 2.95Å; L243-V246 PolarHBondContact O-N 2.91Å; V246-F249 PolarHBondContact O-N 3.27Å; V246-Y250 HydrophobicContact CG1-CD2 3.84Å; V246-Y250 HydrophobicContact CG1-CE2 4.4Å; V246-Y250 WeakPolarHBondContact O-CB 3.45Å; V246-Y250 WeakPolarHBondContact O-CD2 3.47Å; V246-Y250 PolarHBondContact O-N 2.87Å |
| 247 | T | 93.1 | Very high | 90 | Very high | 86 Ų | 86 | 25.2 Ų | 25.2 | 53% | 0.528 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -61.3 | -48.4 | -179 | -62.6 | 0 | 0 | 0 | 0 | 110.9 | L243 T244 V245 F249 S251 | L243-T247 WeakPolarHBondContact O-CB 3.45Å; L243-T247 PolarHBondContact O-N 3.41Å; L243-T247 PolarHBondContact O-OG1 3.36Å; T244-T247 PolarHBondContact O-N 3.1Å; V245-T247 VanDerWaalsContact C-N 3.33Å; V245-T247 PolarHBondContact O-N 2.86Å; T247-F249 PolarHBondContact O-N 3.02Å; T247-S251 WeakPolarHBondContact O-CB 3.41Å; T247-S251 PolarHBondContact O-N 3.48Å; T247-S251 PolarHBondContact O-OG 3.47Å |
| 248 | L | 91.4 | Very high | 90.1 | Very high | 41 Ų | 41 | 28 Ų | 28 | 22% | 0.215 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.3 | -43 | -179.2 | -69.4 | 174.6 | 0 | 0 | 0 | 112.4 | T244 V245 S251 S252 F275 L283 | T244-L248 HydrophobicContact CG2-CD1 4.01Å; T244-L248 HydrophobicContact CG2-CG 4.48Å; T244-L248 VanDerWaalsContact O-CG 3.25Å; T244-L248 WeakPolarHBondContact O-CG 3.36Å; T244-L248 PolarHBondContact O-N 3.3Å; V245-L248 PolarHBondContact O-N 2.86Å; L248-S251 PolarHBondContact O-OG 2.98Å; L248-S252 PolarHBondContact O-OG 2.93Å; L248-F275 HydrophobicContact CB-CE1 4.13Å; L248-F275 HydrophobicContact CD2-CE1 3.87Å; L248-F275 HydrophobicContact CD2-CZ 3.88Å; L248-L283 HydrophobicContact CD1-CB 4.42Å; L248-L283 HydrophobicContact CD1-CD1 3.77Å |
| 249 | F | 91.9 | Very high | 89.8 | Confident | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.009 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -68.1 | -59.4 | 178.9 | -177.5 | -106.7 | 0 | 0 | 0 | 111.5 | E109 C110 L113 V245 V246 T247 S251 S252 V253 T280 | E109-F249 HydrophobicContact CB-CE2 4.4Å; E109-F249 HydrophobicContact CB-CZ 4.02Å; E109-F249 HydrophobicContact CG-CD1 4.48Å; E109-F249 HydrophobicContact CG-CD2 4.25Å; E109-F249 HydrophobicContact CG-CE1 4.07Å; E109-F249 HydrophobicContact CG-CE2 3.84Å; E109-F249 HydrophobicContact CG-CZ 3.73Å; E109-F249 VanDerWaalsContact OE1-CD2 3.31Å; E109-F249 WeakPolarHBondContact OE1-CD2 3.29Å; E109-F249 WeakPolarHBondContact OE2-CE2 3.39Å; C110-F249 VanDerWaalsContact SG-CE1 3.58Å; L113-F249 HydrophobicContact CD1-CB 4.2Å; L113-F249 HydrophobicContact CD1-CD1 3.58Å; L113-F249 HydrophobicContact CD1-CE1 4.17Å; L113-F249 HydrophobicContact CD1-CG 4.02Å; V245-F249 WeakPolarHBondContact O-CB 3.47Å; V245-F249 PolarHBondContact O-N 3.09Å; V246-F249 PolarHBondContact O-N 3.27Å; T247-F249 PolarHBondContact O-N 3.02Å; F249-S251 PolarHBondContact O-N 2.84Å; F249-S252 PolarHBondContact O-N 3.34Å; F249-S252 VanDerWaalsContact O-N 3.12Å; F249-V253 HydrophobicContact CD1-CG2 4.25Å; F249-V253 HydrophobicContact CD2-CG2 4.33Å; F249-V253 HydrophobicContact CE1-CG2 3.9Å; F249-V253 HydrophobicContact CE2-CG2 3.97Å; F249-V253 HydrophobicContact CG-CG2 4.46Å; F249-V253 HydrophobicContact CZ-CG2 3.75Å; F249-V253 WeakPolarHBondContact O-CG2 3.44Å; F249-V253 PolarHBondContact O-N 2.97Å; F249-T280 HydrophobicContact CB-CG2 3.83Å; F249-T280 HydrophobicContact CD2-CG2 4.14Å; F249-T280 HydrophobicContact CG-CG2 4.46Å |
| 250 | Y | 93.6 | Very high | 89 | Confident | 4 Ų | 4 | 32.7 Ų | 32.7 | 2% | 0.016 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.4 | -34.9 | -174.8 | -85.9 | -86.5 | 0 | 0 | 0 | 112.9 | C110 L113 V205 P208 L209 I212 V246 S252 V253 I254 | C110-Y250 WeakPolarHBondContact CB-OH 3.42Å; C110-Y250 PolarHBondContact O-OH 2.69Å; L113-Y250 HydrophobicContact CD1-CE2 4.16Å; V205-Y250 HydrophobicContact CG1-CD1 3.91Å; V205-Y250 HydrophobicContact CG1-CE1 3.87Å; V205-Y250 WeakPolarHBondContact O-CE1 3.16Å; P208-Y250 WeakPolarHBondContact CB-OH 3.37Å; L209-Y250 HydrophobicContact CB-CD1 3.89Å; L209-Y250 HydrophobicContact CB-CE1 3.73Å; L209-Y250 HydrophobicContact CD1-CD1 4.02Å; L209-Y250 HydrophobicContact CD1-CD2 4.21Å; L209-Y250 HydrophobicContact CD1-CE1 4.47Å; L209-Y250 HydrophobicContact CD1-CG 3.87Å; L209-Y250 HydrophobicContact CD2-CD1 4.07Å; L209-Y250 HydrophobicContact CG-CD1 4.22Å; I212-Y250 HydrophobicContact CD1-CD2 4.48Å; I212-Y250 HydrophobicContact CD1-CE2 3.62Å; V246-Y250 HydrophobicContact CG1-CD2 3.84Å; V246-Y250 HydrophobicContact CG1-CE2 4.4Å; V246-Y250 WeakPolarHBondContact O-CB 3.45Å; V246-Y250 WeakPolarHBondContact O-CD2 3.47Å; V246-Y250 PolarHBondContact O-N 2.87Å; Y250-S252 PolarHBondContact O-N 2.95Å; Y250-V253 PolarHBondContact O-N 3.48Å; Y250-I254 VanDerWaalsContact O-CB 3.28Å; Y250-I254 WeakPolarHBondContact O-CB 3.45Å; Y250-I254 VanDerWaalsContact O-CD1 3.31Å; Y250-I254 WeakPolarHBondContact O-CD1 2.98Å; Y250-I254 WeakPolarHBondContact O-CG1 3.17Å; Y250-I254 PolarHBondContact O-N 2.9Å |
| 251 | S | 91.7 | Very high | 88.2 | Confident | 54 Ų | 54 | 38.8 Ų | 38.8 | 38% | 0.378 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -58.5 | -37.3 | 176.1 | 63.9 | 0 | 0 | 0 | 0 | 111.5 | T247 L248 F249 A255 | T247-S251 WeakPolarHBondContact O-CB 3.41Å; T247-S251 PolarHBondContact O-N 3.48Å; T247-S251 PolarHBondContact O-OG 3.47Å; L248-S251 PolarHBondContact O-OG 2.98Å; F249-S251 PolarHBondContact O-N 2.84Å; S251-A255 VanDerWaalsContact O-CB 3.27Å; S251-A255 WeakPolarHBondContact O-CB 3.33Å; S251-A255 PolarHBondContact O-N 3.19Å |
| 252 | S | 90.4 | Very high | 87.5 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.007 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -78.9 | -44.4 | -177.1 | -51.7 | 0 | 0 | 0 | 0 | 111.1 | L248 F249 Y250 I254 A255 V256 F275 | L248-S252 PolarHBondContact O-OG 2.93Å; F249-S252 PolarHBondContact O-N 3.34Å; F249-S252 VanDerWaalsContact O-N 3.12Å; Y250-S252 PolarHBondContact O-N 2.95Å; S252-I254 PolarHBondContact O-N 3.41Å; S252-A255 PolarHBondContact O-N 2.9Å; S252-V256 WeakPolarHBondContact O-CG2 3.5Å; S252-V256 PolarHBondContact O-N 3.4Å; S252-V256 VanDerWaalsContact O-N 3.15Å; S252-F275 VanDerWaalsContact OG-CD1 3.3Å; S252-F275 WeakPolarHBondContact OG-CD1 3.44Å |
| 253 | V | 90.8 | Very high | 86.4 | Confident | 9 Ų | 9 | 46.8 Ų | 46.8 | 6% | 0.055 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.5 | -46.7 | 175.2 | 173.2 | 0 | 0 | 0 | 0 | 111.3 | V205 F249 Y250 A255 V256 Y257 | V205-V253 HydrophobicContact CG1-CG1 3.97Å; V205-V253 HydrophobicContact CG2-CG1 3.84Å; F249-V253 HydrophobicContact CD1-CG2 4.25Å; F249-V253 HydrophobicContact CD2-CG2 4.33Å; F249-V253 HydrophobicContact CE1-CG2 3.9Å; F249-V253 HydrophobicContact CE2-CG2 3.97Å; F249-V253 HydrophobicContact CG-CG2 4.46Å; F249-V253 HydrophobicContact CZ-CG2 3.75Å; F249-V253 WeakPolarHBondContact O-CG2 3.44Å; F249-V253 PolarHBondContact O-N 2.97Å; Y250-V253 PolarHBondContact O-N 3.48Å; V253-A255 VanDerWaalsContact C-N 3.28Å; V253-A255 PolarHBondContact O-N 3.32Å; V253-V256 PolarHBondContact O-N 3.4Å; V253-V256 VanDerWaalsContact O-N 3.13Å; V253-Y257 HydrophobicContact CG1-CD2 3.98Å; V253-Y257 WeakPolarHBondContact O-CB 3.43Å; V253-Y257 PolarHBondContact O-N 3.13Å |
| 254 | I | 91.2 | Very high | 85.2 | Confident | 63 Ų | 63 | 52.8 Ų | 52.8 | 32% | 0.323 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.8 | -43 | 177 | -67 | 164.5 | 0 | 0 | 0 | 110.4 | V205 L209 Y250 S252 V256 L258 | V205-I254 HydrophobicContact CG1-CG1 4.26Å; L209-I254 HydrophobicContact CD2-CD1 3.75Å; Y250-I254 VanDerWaalsContact O-CB 3.28Å; Y250-I254 WeakPolarHBondContact O-CB 3.45Å; Y250-I254 VanDerWaalsContact O-CD1 3.31Å; Y250-I254 WeakPolarHBondContact O-CD1 2.98Å; Y250-I254 WeakPolarHBondContact O-CG1 3.17Å; Y250-I254 PolarHBondContact O-N 2.9Å; S252-I254 PolarHBondContact O-N 3.41Å; I254-V256 PolarHBondContact O-N 3.25Å; I254-L258 HydrophobicContact CB-CD1 4.27Å; I254-L258 HydrophobicContact CG1-CD1 3.96Å; I254-L258 HydrophobicContact CG2-CB 4.13Å; I254-L258 HydrophobicContact CG2-CD1 4.05Å; I254-L258 WeakPolarHBondContact O-CA 3.13Å; I254-L258 WeakPolarHBondContact O-CB 3Å; I254-L258 PolarHBondContact O-N 3.45Å |
| 255 | A | 87.3 | Confident | 84.2 | Confident | 15 Ų | 15 | 50.9 Ų | 50.9 | 12% | 0.124 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.7 | -16.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | S251 S252 V253 Q259 F272 | S251-A255 VanDerWaalsContact O-CB 3.27Å; S251-A255 WeakPolarHBondContact O-CB 3.33Å; S251-A255 PolarHBondContact O-N 3.19Å; S252-A255 PolarHBondContact O-N 2.9Å; V253-A255 VanDerWaalsContact C-N 3.28Å; V253-A255 PolarHBondContact O-N 3.32Å; A255-Q259 VanDerWaalsContact O-CB 3.28Å; A255-Q259 WeakPolarHBondContact O-CB 3.2Å; A255-Q259 WeakPolarHBondContact O-CG 3.34Å; A255-Q259 PolarHBondContact O-OE1 2.98Å; A255-F272 HydrophobicContact CB-CB 3.92Å; A255-F272 HydrophobicContact CB-CD1 3.9Å; A255-F272 HydrophobicContact CB-CD2 3.37Å; A255-F272 HydrophobicContact CB-CE1 4.25Å; A255-F272 HydrophobicContact CB-CE2 3.78Å; A255-F272 HydrophobicContact CB-CG 3.45Å; A255-F272 VanDerWaalsContact CB-CG 3.45Å; A255-F272 HydrophobicContact CB-CZ 4.2Å |
| 256 | V | 86.6 | Confident | 82.9 | Confident | 11 Ų | 11 | 53.6 Ų | 53.6 | 7% | 0.067 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -98.7 | -48.7 | 177 | 172.5 | 0 | 0 | 0 | 0 | 111.3 | E178 P180 S252 V253 I254 F272 Y276 | E178-V256 WeakPolarHBondContact OE2-CG1 3.39Å; P180-V256 HydrophobicContact CG-CG1 4.49Å; S252-V256 WeakPolarHBondContact O-CG2 3.5Å; S252-V256 PolarHBondContact O-N 3.4Å; S252-V256 VanDerWaalsContact O-N 3.15Å; V253-V256 PolarHBondContact O-N 3.4Å; V253-V256 VanDerWaalsContact O-N 3.13Å; I254-V256 PolarHBondContact O-N 3.25Å; V256-F272 HydrophobicContact CG2-CB 3.85Å; V256-Y276 HydrophobicContact CG1-CE1 4.48Å; V256-Y276 HydrophobicContact CG2-CD1 4.28Å; V256-Y276 HydrophobicContact CG2-CE1 4.14Å |
| 257 | Y | 87.2 | Confident | 81.8 | Confident | 45 Ų | 45 | 55 Ų | 55 | 18% | 0.176 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -91.9 | -26.6 | -169.2 | -76.5 | -92.8 | 0 | 0 | 0 | 114.5 | P180 L197 V253 | P180-Y257 HydrophobicContact CG-CD1 4.16Å; P180-Y257 HydrophobicContact CG-CE1 4.12Å; L197-Y257 HydrophobicContact CD1-CD1 3.78Å; L197-Y257 HydrophobicContact CD1-CE1 4.03Å; V253-Y257 HydrophobicContact CG1-CD2 3.98Å; V253-Y257 WeakPolarHBondContact O-CB 3.43Å; V253-Y257 PolarHBondContact O-N 3.13Å |
| 258 | L | 85.6 | Confident | 80.9 | Confident | 79 Ų | 79 | 57.8 Ų | 57.8 | 41% | 0.414 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -108.8 | 7.2 | -177.7 | -68.3 | 163 | 0 | 0 | 0 | 112.3 | V205 V206 I254 | V205-L258 HydrophobicContact CG1-CD1 4.26Å; V206-L258 HydrophobicContact CG2-CD1 4.26Å; I254-L258 HydrophobicContact CB-CD1 4.27Å; I254-L258 HydrophobicContact CG1-CD1 3.96Å; I254-L258 HydrophobicContact CG2-CB 4.13Å; I254-L258 HydrophobicContact CG2-CD1 4.05Å; I254-L258 WeakPolarHBondContact O-CA 3.13Å; I254-L258 WeakPolarHBondContact O-CB 3Å; I254-L258 PolarHBondContact O-N 3.45Å |
| 259 | Q | 78.6 | Confident | 80.2 | Confident | 39 Ų | 39 | 56.3 Ų | 56.3 | 18% | 0.182 | 29% | 0.292 | C | S | . | . | trans | -76.4 | 137 | -176.3 | -137.8 | -178.2 | 20.8 | 0 | 0 | 111.7 | A255 A265 | A255-Q259 VanDerWaalsContact O-CB 3.28Å; A255-Q259 WeakPolarHBondContact O-CB 3.2Å; A255-Q259 WeakPolarHBondContact O-CG 3.34Å; A255-Q259 PolarHBondContact O-OE1 2.98Å; Q259-A265 HydrophobicContact CG-CB 3.77Å; Q259-A265 PolarHBondContact NE2-O 2.9Å; Q259-A265 VanDerWaalsContact OE1-C 3.31Å; Q259-A265 PolarHBondContact OE1-O 2.79Å | ||
| 260 | P | 71 | Confident | 79.6 | Confident | 97 Ų | 97 | 57.3 Ų | 57.3 | 63% | 0.63 | 30% | 0.296 | S | S | * | . | trans | -64.7 | 150.2 | 174 | 23.8 | -33 | 0 | 0 | 0 | 112.3 | N262 | P260-N262 PolarHBondContact O-N 3.45Š| ||
| 261 | K | 70.6 | Confident | 79.1 | Confident | 148 Ų | 148 | 62 Ų | 62 | 64% | 0.643 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -68.4 | 72.3 | 178.1 | -67.5 | 178.9 | 173.5 | 175.2 | 0 | 111.9 | E194 | E194-K261 IonicContact OE1-NZ 2.64Å; E194-K261 PolarHBondContact OE1-NZ 2.81Å; E194-K261 IonicContact OE2-NZ 2.73Å; E194-K261 PolarHBondContact OE2-NZ 2.97Å |
| 262 | N | 74.5 | Confident | 78.8 | Confident | 78 Ų | 78 | 62.9 Ų | 62.9 | 42% | 0.417 | 31% | 0.314 | S | S | . | . | trans | -123.6 | 136 | 171.3 | 180 | -31.3 | 0 | 0 | 0 | 109.6 | P260 Y264 A265 Q266 | P260-N262 PolarHBondContact O-N 3.45Å; N262-Y264 VanDerWaalsContact C-N 3.25Å; N262-Y264 PolarHBondContact O-N 3.42Å; N262-Y264 PolarHBondContact OD1-N 2.91Å; N262-A265 HydrophobicContact CB-CB 4.35Å; N262-A265 WeakPolarHBondContact O-CA 3.42Å; N262-A265 VanDerWaalsContact O-CB 3.23Å; N262-A265 WeakPolarHBondContact O-CB 3.43Å; N262-A265 PolarHBondContact O-N 2.94Å; N262-Q266 PolarHBondContact O-N 3.29Å; N262-Q266 VanDerWaalsContact O-N 3.13Å | ||
| 263 | P | 68.6 | Low | 78.5 | Confident | 99 Ų | 99 | 62.8 Ų | 62.8 | 64% | 0.643 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -53.9 | -34.6 | 177.9 | 16.8 | -30 | 0 | 0 | 0 | 114.6 | A265 Q266 G267 | P263-A265 VanDerWaalsContact C-N 3.29Å; P263-A265 PolarHBondContact O-N 3.2Å; P263-Q266 WeakPolarHBondContact O-CB 3.38Å; P263-Q266 PolarHBondContact O-N 2.98Å; P263-G267 PolarHBondContact O-N 3.18Å |
| 264 | Y | 68.2 | Low | 78.3 | Confident | 187 Ų | 187 | 63.4 Ų | 63.4 | 73% | 0.733 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -67.8 | -29.4 | 174.2 | -77.1 | -82 | 0 | 0 | 0 | 113.4 | N262 R268 | N262-Y264 VanDerWaalsContact C-N 3.25Å; N262-Y264 PolarHBondContact O-N 3.42Å; N262-Y264 PolarHBondContact OD1-N 2.91Å; Y264-R268 PolarHBondContact O-NE 3.26Å |
| 265 | A | 69.7 | Low | 78.1 | Confident | 5 Ų | 5 | 64 Ų | 64 | 4% | 0.041 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -70 | -42.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110 | Q259 N262 P263 G267 R268 G269 | Q259-A265 HydrophobicContact CG-CB 3.77Å; Q259-A265 PolarHBondContact NE2-O 2.9Å; Q259-A265 VanDerWaalsContact OE1-C 3.31Å; Q259-A265 PolarHBondContact OE1-O 2.79Å; N262-A265 HydrophobicContact CB-CB 4.35Å; N262-A265 WeakPolarHBondContact O-CA 3.42Å; N262-A265 VanDerWaalsContact O-CB 3.23Å; N262-A265 WeakPolarHBondContact O-CB 3.43Å; N262-A265 PolarHBondContact O-N 2.94Å; P263-A265 VanDerWaalsContact C-N 3.29Å; P263-A265 PolarHBondContact O-N 3.2Å; A265-G267 PolarHBondContact O-N 2.93Å; A265-R268 CarbonylContact O-C 3.43Å; A265-R268 PolarHBondContact O-N 2.72Å; A265-R268 VanDerWaalsContact O-N 3.09Å; A265-G269 PolarHBondContact O-N 2.99Å |
| 266 | Q | 66 | Low | 78.1 | Confident | 57 Ų | 57 | 63.7 Ų | 63.7 | 27% | 0.266 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -56.9 | -48.3 | -178.4 | 178.8 | 172.8 | -4.7 | 0 | 0 | 113.9 | D173 N262 P263 R268 G269 K270 | D173-Q266 PolarHBondContact OD2-NE2 3.29Å; N262-Q266 PolarHBondContact O-N 3.29Å; N262-Q266 VanDerWaalsContact O-N 3.13Å; P263-Q266 WeakPolarHBondContact O-CB 3.38Å; P263-Q266 PolarHBondContact O-N 2.98Å; Q266-R268 PolarHBondContact O-N 2.86Å; Q266-G269 PolarHBondContact O-N 3.41Å; Q266-G269 VanDerWaalsContact O-N 3.1Å; Q266-K270 PolarHBondContact O-N 3.48Å |
| 267 | G | 69.9 | Low | 78.2 | Confident | 35 Ų | 35 | 63.2 Ų | 63.2 | 36% | 0.361 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.2 | -34.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | P263 A265 F271 | P263-G267 PolarHBondContact O-N 3.18Å; A265-G267 PolarHBondContact O-N 2.93Å; G267-F271 WeakPolarHBondContact O-CD2 3.34Å |
| 268 | R | 74 | Confident | 78.3 | Confident | 145 Ų | 145 | 61.3 Ų | 61.3 | 55% | 0.547 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -75.9 | -36 | 174.5 | -69.1 | -174.4 | -70.7 | 172 | -0.7 | 112.2 | Y264 A265 Q266 K270 F271 F272 | Y264-R268 PolarHBondContact O-NE 3.26Å; A265-R268 CarbonylContact O-C 3.43Å; A265-R268 PolarHBondContact O-N 2.72Å; A265-R268 VanDerWaalsContact O-N 3.09Å; Q266-R268 PolarHBondContact O-N 2.86Å; R268-K270 PolarHBondContact O-N 3.05Å; R268-F271 PolarHBondContact O-N 3.45Å; R268-F272 HydrophobicContact CB-CD2 4.3Å; R268-F272 HydrophobicContact CB-CE2 4.09Å; R268-F272 WeakPolarHBondContact O-CD2 3.46Å; R268-F272 PolarHBondContact O-N 3.26Å |
| 269 | G | 76.7 | Confident | 78.3 | Confident | 10 Ų | 10 | 58 Ų | 58 | 10% | 0.103 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -52.5 | -40.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | A265 Q266 F271 F272 G273 | A265-G269 PolarHBondContact O-N 2.99Å; Q266-G269 PolarHBondContact O-N 3.41Å; Q266-G269 VanDerWaalsContact O-N 3.1Å; G269-F271 PolarHBondContact O-N 3.05Å; G269-F272 PolarHBondContact O-N 2.7Å; G269-G273 PolarHBondContact O-N 2.92Å |
| 270 | K | 80.4 | Confident | 78.8 | Confident | 23 Ų | 23 | 56.2 Ų | 56.2 | 10% | 0.1 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -56.4 | -49.7 | 172.5 | -68.9 | 176.8 | 178 | 178.9 | 0 | 112.9 | G14 F15 D173 F175 Q266 R268 F272 G273 L274 | G14-K270 PolarHBondContact O-NZ 3.06Å; F15-K270 HydrophobicContact CZ-CB 4.11Å; D173-K270 VanDerWaalsContact CG-CE 3.44Å; D173-K270 WeakPolarHBondContact O-CE 3.44Å; D173-K270 WeakPolarHBondContact OD1-CE 3.45Å; D173-K270 IonicContact OD1-NZ 3.01Å; D173-K270 PolarHBondContact OD1-NZ 3.23Å; D173-K270 VanDerWaalsContact OD2-CE 3.23Å; D173-K270 WeakPolarHBondContact OD2-CE 3.26Å; D173-K270 IonicContact OD2-NZ 2.95Å; D173-K270 PolarHBondContact OD2-NZ 2.99Å; F175-K270 HydrophobicContact CE1-CB 3.81Å; F175-K270 HydrophobicContact CE1-CG 4.35Å; F175-K270 WeakPolarHBondContact CE1-O 3.47Å; F175-K270 WeakPolarHBondContact CZ-O 3.41Å; Q266-K270 PolarHBondContact O-N 3.48Å; R268-K270 PolarHBondContact O-N 3.05Å; K270-F272 VanDerWaalsContact C-N 3.32Å; K270-F272 PolarHBondContact O-N 2.84Å; K270-G273 PolarHBondContact O-N 2.87Å; K270-L274 PolarHBondContact O-N 3.29Å |
| 271 | F | 83 | Confident | 79.6 | Confident | 103 Ų | 103 | 51.6 Ų | 51.6 | 45% | 0.452 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -63.7 | -39.1 | 178.9 | -76.2 | -80.7 | 0 | 0 | 0 | 112.2 | F15 L21 G267 R268 G269 G273 L274 F275 | F15-F271 HydrophobicContact CE1-CD2 4.27Å; F15-F271 HydrophobicContact CE1-CE1 4.18Å; F15-F271 AromaticContact CE1-CE2 3.52Å; F15-F271 HydrophobicContact CE1-CE2 3.52Å; F15-F271 AromaticContact CE1-CZ 3.47Å; F15-F271 HydrophobicContact CE1-CZ 3.47Å; F15-F271 VanDerWaalsContact CE1-CZ 3.47Å; F15-F271 HydrophobicContact CZ-CD1 4.16Å; F15-F271 HydrophobicContact CZ-CD2 4Å; F15-F271 AromaticContact CZ-CE1 3.81Å; F15-F271 HydrophobicContact CZ-CE1 3.81Å; F15-F271 AromaticContact CZ-CE2 3.65Å; F15-F271 HydrophobicContact CZ-CE2 3.65Å; F15-F271 HydrophobicContact CZ-CG 4.25Å; F15-F271 AromaticContact CZ-CZ 3.55Å; F15-F271 HydrophobicContact CZ-CZ 3.55Å; L21-F271 HydrophobicContact CD2-CZ 4.29Å; G267-F271 WeakPolarHBondContact O-CD2 3.34Å; R268-F271 PolarHBondContact O-N 3.45Å; G269-F271 PolarHBondContact O-N 3.05Å; F271-G273 VanDerWaalsContact C-N 3.34Å; F271-L274 PolarHBondContact O-N 3.04Å; F271-F275 WeakPolarHBondContact O-CB 3.23Å; F271-F275 PolarHBondContact O-N 2.96Å |
| 272 | F | 84.4 | Confident | 80.5 | Confident | 71 Ų | 71 | 45 Ų | 45 | 31% | 0.311 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -67.5 | -36.7 | 175.2 | -70.9 | -66 | 0 | 0 | 0 | 112.2 | A255 V256 R268 G269 K270 L274 F275 Y276 | A255-F272 HydrophobicContact CB-CB 3.92Å; A255-F272 HydrophobicContact CB-CD1 3.9Å; A255-F272 HydrophobicContact CB-CD2 3.37Å; A255-F272 HydrophobicContact CB-CE1 4.25Å; A255-F272 HydrophobicContact CB-CE2 3.78Å; A255-F272 HydrophobicContact CB-CG 3.45Å; A255-F272 VanDerWaalsContact CB-CG 3.45Å; A255-F272 HydrophobicContact CB-CZ 4.2Å; V256-F272 HydrophobicContact CG2-CB 3.85Å; R268-F272 HydrophobicContact CB-CD2 4.3Å; R268-F272 HydrophobicContact CB-CE2 4.09Å; R268-F272 WeakPolarHBondContact O-CD2 3.46Å; R268-F272 PolarHBondContact O-N 3.26Å; G269-F272 PolarHBondContact O-N 2.7Å; K270-F272 VanDerWaalsContact C-N 3.32Å; K270-F272 PolarHBondContact O-N 2.84Å; F272-L274 VanDerWaalsContact C-N 3.33Å; F272-L274 PolarHBondContact O-N 2.76Å; F272-F275 PolarHBondContact O-N 3.25Å; F272-Y276 WeakPolarHBondContact O-CD1 3.41Å; F272-Y276 PolarHBondContact O-N 2.93Å |
| 273 | G | 85 | Confident | 81.2 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.1 | -47.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | F175 G269 K270 F271 F275 Y276 A277 | F175-G273 VanDerWaalsContact CZ-C 3.47Å; G269-G273 PolarHBondContact O-N 2.92Å; K270-G273 PolarHBondContact O-N 2.87Å; F271-G273 VanDerWaalsContact C-N 3.34Å; G273-F275 VanDerWaalsContact C-N 3.32Å; G273-F275 PolarHBondContact O-N 3.43Å; G273-Y276 VanDerWaalsContact CA-CD1 3.44Å; G273-Y276 VanDerWaalsContact CA-CE1 3.42Å; G273-Y276 WeakPolarHBondContact O-CD1 3.44Å; G273-A277 VanDerWaalsContact O-CB 3.22Å; G273-A277 WeakPolarHBondContact O-CB 3.4Å; G273-A277 PolarHBondContact O-N 2.99Å |
| 274 | L | 86.4 | Confident | 82 | Confident | 21 Ų | 21 | 39.2 Ų | 39.2 | 11% | 0.11 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.1 | -40.2 | 178.3 | -175.1 | 70 | 0 | 0 | 0 | 110.7 | L25 V29 M79 F175 K270 F271 F272 A277 V278 | L25-L274 HydrophobicContact CD2-CD2 3.63Å; V29-L274 HydrophobicContact CG2-CD1 3.88Å; M79-L274 HydrophobicContact CE-CD1 3.76Å; M79-L274 HydrophobicContact SD-CD1 3.6Å; M79-L274 VanDerWaalsContact SD-CD1 3.6Å; F175-L274 HydrophobicContact CD2-CD1 4.11Å; F175-L274 HydrophobicContact CE1-CB 4.31Å; F175-L274 VanDerWaalsContact CE2-CA 3.49Å; F175-L274 HydrophobicContact CE2-CB 3.79Å; F175-L274 HydrophobicContact CE2-CD1 4.08Å; F175-L274 VanDerWaalsContact CE2-N 3.32Å; F175-L274 HydrophobicContact CZ-CB 3.74Å; K270-L274 PolarHBondContact O-N 3.29Å; F271-L274 PolarHBondContact O-N 3.04Å; F272-L274 VanDerWaalsContact C-N 3.33Å; F272-L274 PolarHBondContact O-N 2.76Å; L274-A277 PolarHBondContact O-N 3.15Å; L274-V278 HydrophobicContact CD1-CG2 4.07Å; L274-V278 WeakPolarHBondContact O-CB 3.47Å; L274-V278 PolarHBondContact O-N 3.49Å |
| 275 | F | 87.1 | Confident | 82.7 | Confident | 75 Ų | 75 | 30.6 Ų | 30.6 | 33% | 0.329 | 15% | 0.152 | S | C | . | . | I | π-helix | trans | -67 | -43.5 | -179 | -166 | -91.6 | 0 | 0 | 0 | 112.2 | L248 S252 F271 F272 G273 A277 G279 T280 L283 | L248-F275 HydrophobicContact CB-CE1 4.13Å; L248-F275 HydrophobicContact CD2-CE1 3.87Å; L248-F275 HydrophobicContact CD2-CZ 3.88Å; S252-F275 VanDerWaalsContact OG-CD1 3.3Å; S252-F275 WeakPolarHBondContact OG-CD1 3.44Å; F271-F275 WeakPolarHBondContact O-CB 3.23Å; F271-F275 PolarHBondContact O-N 2.96Å; F272-F275 PolarHBondContact O-N 3.25Å; G273-F275 VanDerWaalsContact C-N 3.32Å; G273-F275 PolarHBondContact O-N 3.43Å; F275-A277 VanDerWaalsContact C-N 3.35Å; F275-G279 CarbonylContact O-C 3.44Å; F275-G279 WeakPolarHBondContact O-CA 3.34Å; F275-G279 PolarHBondContact O-N 3.4Å; F275-T280 PolarHBondContact O-N 3.29Å; F275-T280 PolarHBondContact O-OG1 2.8Å; F275-L283 HydrophobicContact CZ-CD1 3.93Å |
| 276 | Y | 87.2 | Confident | 83.3 | Confident | 10 Ų | 10 | 33.7 Ų | 33.7 | 4% | 0.039 | 17% | 0.168 | C | C | . | . | I | π-helix | trans | -70.7 | -33.9 | 175.6 | 87.4 | -104 | 0 | 0 | 0 | 112 | F71 F102 V256 F272 G273 T280 P281 | F71-Y276 HydrophobicContact CE1-CE2 4.45Å; F71-Y276 HydrophobicContact CE2-CE2 4.49Å; F71-Y276 HydrophobicContact CZ-CD2 4.15Å; F71-Y276 AromaticContact CZ-CE2 3.68Å; F71-Y276 HydrophobicContact CZ-CE2 3.68Å; F102-Y276 HydrophobicContact CD1-CE2 4.44Å; F102-Y276 HydrophobicContact CE1-CE2 4.14Å; V256-Y276 HydrophobicContact CG1-CE1 4.48Å; V256-Y276 HydrophobicContact CG2-CD1 4.28Å; V256-Y276 HydrophobicContact CG2-CE1 4.14Å; F272-Y276 WeakPolarHBondContact O-CD1 3.41Å; F272-Y276 PolarHBondContact O-N 2.93Å; G273-Y276 VanDerWaalsContact CA-CD1 3.44Å; G273-Y276 VanDerWaalsContact CA-CE1 3.42Å; G273-Y276 WeakPolarHBondContact O-CD1 3.44Å; Y276-T280 WeakPolarHBondContact CA-OG1 3.29Å; Y276-P281 WeakPolarHBondContact O-CD 3.44Å |
| 277 | A | 87.4 | Confident | 84.2 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | I | π-helix | trans | -75 | -29.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | F71 F102 L176 G273 L274 F275 | F71-A277 HydrophobicContact CE1-CB 3.9Å; F102-A277 HydrophobicContact CE1-CB 4.45Å; F102-A277 HydrophobicContact CZ-CB 4.27Å; L176-A277 HydrophobicContact CD1-CB 3.87Å; G273-A277 VanDerWaalsContact O-CB 3.22Å; G273-A277 WeakPolarHBondContact O-CB 3.4Å; G273-A277 PolarHBondContact O-N 2.99Å; L274-A277 PolarHBondContact O-N 3.15Å; F275-A277 VanDerWaalsContact C-N 3.35Å |
| 278 | V | 89.1 | Confident | 84.5 | Confident | 5 Ų | 5 | 30.6 Ų | 30.6 | 3% | 0.03 | 15% | 0.145 | C | C | . | . | I | π-helix | trans | -128.4 | -41 | -171.8 | -176.2 | 0 | 0 | 0 | 0 | 112.5 | V29 V76 M79 L274 S282 | V29-V278 HydrophobicContact CG1-CG2 4.47Å; V76-V278 HydrophobicContact CG2-CG2 4.05Å; M79-V278 HydrophobicContact CE-CG2 3.4Å; M79-V278 VanDerWaalsContact CE-CG2 3.4Å; L274-V278 HydrophobicContact CD1-CG2 4.07Å; L274-V278 WeakPolarHBondContact O-CB 3.47Å; L274-V278 PolarHBondContact O-N 3.49Å; V278-S282 WeakPolarHBondContact O-CB 3.39Å; V278-S282 PolarHBondContact O-N 2.88Å; V278-S282 PolarHBondContact O-OG 3.43Å |
| 279 | G | 87 | Confident | 84.4 | Confident | 11 Ų | 11 | 24.6 Ų | 24.6 | 11% | 0.113 | 12% | 0.124 | C | C | . | . | I | π-helix | trans | -66.5 | -54 | -179 | 0 | 0 | 0 | 0 | 0 | 112.1 | F275 S282 L283 | F275-G279 CarbonylContact O-C 3.44Å; F275-G279 WeakPolarHBondContact O-CA 3.34Å; F275-G279 PolarHBondContact O-N 3.4Å; G279-S282 PolarHBondContact O-N 3.49Å; G279-S282 PolarHBondContact O-OG 3.12Å; G279-L283 WeakPolarHBondContact O-CB 3.36Å; G279-L283 VanDerWaalsContact O-CG 3.23Å; G279-L283 WeakPolarHBondContact O-CG 3.35Å; G279-L283 PolarHBondContact O-N 3.2Å |
| 280 | T | 87.9 | Confident | 84 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.6 | -51.7 | -178.1 | -40.5 | 0 | 0 | 0 | 0 | 112.3 | F249 F275 Y276 S282 L283 N284 | F249-T280 HydrophobicContact CB-CG2 3.83Å; F249-T280 HydrophobicContact CD2-CG2 4.14Å; F249-T280 HydrophobicContact CG-CG2 4.46Å; F275-T280 PolarHBondContact O-N 3.29Å; F275-T280 PolarHBondContact O-OG1 2.8Å; Y276-T280 WeakPolarHBondContact CA-OG1 3.29Å; T280-S282 VanDerWaalsContact C-N 3.27Å; T280-S282 PolarHBondContact O-N 3Å; T280-L283 PolarHBondContact O-N 3.23Å; T280-L283 VanDerWaalsContact O-N 3.12Å; T280-N284 VanDerWaalsContact O-CG 3.25Å; T280-N284 PolarHBondContact O-N 3.44Å; T280-N284 PolarHBondContact O-OD1 3.04Å |
| 281 | P | 88.8 | Confident | 83.5 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.4 | -30.7 | -178.2 | -26 | 38.3 | 0 | 0 | 0 | 113.7 | T36 N40 D68 T72 Y276 P285 | T36-P281 HydrophobicContact CG2-CB 3.72Å; N40-P281 PolarHBondContact ND2-O 2.83Å; D68-P281 HydrophobicContact CB-CB 3.96Å; T72-P281 HydrophobicContact CG2-CB 3.69Å; T72-P281 HydrophobicContact CG2-CG 3.86Å; Y276-P281 WeakPolarHBondContact O-CD 3.44Å; P281-P285 WeakPolarHBondContact O-CD 3.22Å |
| 282 | S | 89.5 | Confident | 82.9 | Confident | 8 Ų | 8 | 31.5 Ų | 31.5 | 6% | 0.056 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -78.4 | -28.8 | 177.9 | 61 | 0 | 0 | 0 | 0 | 112.8 | T36 V278 G279 T280 | T36-S282 VanDerWaalsContact OG1-CA 3.29Å; T36-S282 WeakPolarHBondContact OG1-CA 3.39Å; T36-S282 WeakPolarHBondContact OG1-CB 3.3Å; T36-S282 PolarHBondContact OG1-N 3.11Å; V278-S282 WeakPolarHBondContact O-CB 3.39Å; V278-S282 PolarHBondContact O-N 2.88Å; V278-S282 PolarHBondContact O-OG 3.43Å; G279-S282 PolarHBondContact O-N 3.49Å; G279-S282 PolarHBondContact O-OG 3.12Å; T280-S282 VanDerWaalsContact C-N 3.27Å; T280-S282 PolarHBondContact O-N 3Å |
| 283 | L | 88.1 | Confident | 82.3 | Confident | 55 Ų | 55 | 35.9 Ų | 35.9 | 29% | 0.288 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -83.2 | -28.5 | 177.3 | -68.5 | 173.4 | 0 | 0 | 0 | 112.8 | L248 F275 G279 T280 L286 V287 | L248-L283 HydrophobicContact CD1-CB 4.42Å; L248-L283 HydrophobicContact CD1-CD1 3.77Å; F275-L283 HydrophobicContact CZ-CD1 3.93Å; G279-L283 WeakPolarHBondContact O-CB 3.36Å; G279-L283 VanDerWaalsContact O-CG 3.23Å; G279-L283 WeakPolarHBondContact O-CG 3.35Å; G279-L283 PolarHBondContact O-N 3.2Å; T280-L283 PolarHBondContact O-N 3.23Å; T280-L283 VanDerWaalsContact O-N 3.12Å; L283-L286 HydrophobicContact CD2-CD1 4.27Å; L283-L286 PolarHBondContact O-N 3.45Å; L283-L286 VanDerWaalsContact O-N 3.07Å; L283-V287 WeakPolarHBondContact O-CG2 3.31Å; L283-V287 PolarHBondContact O-N 3.32Å |
| 284 | N | 86.9 | Confident | 81.6 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.011 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -49.6 | -55.2 | 178.8 | -79.8 | -6.4 | 0 | 0 | 0 | 111.8 | D68 V245 T280 L286 V287 Y288 | D68-N284 PolarHBondContact OD2-ND2 2.97Å; V245-N284 WeakPolarHBondContact CG1-OD1 3.17Å; V245-N284 WeakPolarHBondContact CG2-OD1 3.28Å; T280-N284 VanDerWaalsContact O-CG 3.25Å; T280-N284 PolarHBondContact O-N 3.44Å; T280-N284 PolarHBondContact O-OD1 3.04Å; N284-L286 VanDerWaalsContact C-N 3.32Å; N284-L286 PolarHBondContact O-N 3.49Å; N284-V287 PolarHBondContact O-N 3.13Å; N284-Y288 WeakPolarHBondContact O-CD2 2.92Å; N284-Y288 PolarHBondContact O-N 2.9Å |
| 285 | P | 81.3 | Confident | 80.9 | Confident | 5 Ų | 5 | 38.8 Ų | 38.8 | 3% | 0.032 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.1 | -41.6 | 177.1 | -26.2 | 33.4 | 0 | 0 | 0 | 113.9 | N40 I43 P281 T289 | N40-P285 WeakPolarHBondContact ND2-CG 3.3Å; I43-P285 HydrophobicContact CD1-CB 3.99Å; I43-P285 HydrophobicContact CD1-CG 4.29Å; P281-P285 WeakPolarHBondContact O-CD 3.22Å; P285-T289 WeakPolarHBondContact O-CB 3.43Å; P285-T289 WeakPolarHBondContact O-CG2 3.19Å; P285-T289 PolarHBondContact O-N 3.25Å; P285-T289 PolarHBondContact O-OG1 3.42Å |
| 286 | L | 82.9 | Confident | 80.4 | Confident | 71 Ų | 71 | 39.4 Ų | 39.4 | 37% | 0.372 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -65.5 | -44.9 | -178.7 | -62.9 | 177.6 | 0 | 0 | 0 | 111 | L283 N284 L290 | L283-L286 HydrophobicContact CD2-CD1 4.27Å; L283-L286 PolarHBondContact O-N 3.45Å; L283-L286 VanDerWaalsContact O-N 3.07Å; N284-L286 VanDerWaalsContact C-N 3.32Å; N284-L286 PolarHBondContact O-N 3.49Å; L286-L290 HydrophobicContact CB-CD1 4.06Å; L286-L290 HydrophobicContact CD2-CD1 4.09Å; L286-L290 WeakPolarHBondContact O-CB 3.43Å; L286-L290 VanDerWaalsContact O-CG 3.24Å; L286-L290 WeakPolarHBondContact O-CG 3.46Å; L286-L290 PolarHBondContact O-N 3.32Å |
| 287 | V | 84.8 | Confident | 79.9 | Confident | 19 Ų | 19 | 45.9 Ų | 45.9 | 12% | 0.115 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66 | -44 | -178.8 | 173.4 | 0 | 0 | 0 | 0 | 111 | S241 T244 V245 L283 N284 R291 | S241-V287 VanDerWaalsContact O-CG1 3.25Å; S241-V287 WeakPolarHBondContact O-CG1 3.45Å; T244-V287 HydrophobicContact CG2-CG1 4.46Å; T244-V287 HydrophobicContact CG2-CG2 4.16Å; V245-V287 HydrophobicContact CG2-CB 4.21Å; V245-V287 HydrophobicContact CG2-CG1 3.98Å; L283-V287 WeakPolarHBondContact O-CG2 3.31Å; L283-V287 PolarHBondContact O-N 3.32Å; N284-V287 PolarHBondContact O-N 3.13Å; V287-R291 WeakPolarHBondContact O-CB 3.43Å |
| 288 | Y | 75.7 | Confident | 79.3 | Confident | 8 Ų | 8 | 46 Ų | 46 | 3% | 0.031 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -73.9 | -45.1 | 179.3 | -72.6 | -66.5 | 0 | 0 | 0 | 112.6 | M57 L61 L64 M116 H242 V245 N284 N292 I295 | M57-Y288 HydrophobicContact CE-CE1 3.82Å; L61-Y288 HydrophobicContact CD1-CD1 4.08Å; L61-Y288 HydrophobicContact CD1-CD2 3.29Å; L61-Y288 HydrophobicContact CD1-CE1 4.14Å; L61-Y288 HydrophobicContact CD1-CE2 3.36Å; L61-Y288 HydrophobicContact CD1-CG 3.68Å; L61-Y288 HydrophobicContact CD2-CD1 4.27Å; L61-Y288 HydrophobicContact CD2-CD2 4.44Å; L61-Y288 HydrophobicContact CD2-CG 4.02Å; L61-Y288 HydrophobicContact CG-CD2 4.49Å; L64-Y288 HydrophobicContact CD2-CE2 4.38Å; M116-Y288 HydrophobicContact CE-CE1 4.33Å; M116-Y288 WeakPolarHBondContact CE-OH 3.37Å; H242-Y288 PolarHBondContact CD2-OH 2.92Å; V245-Y288 HydrophobicContact CG2-CD2 4.41Å; V245-Y288 HydrophobicContact CG2-CE2 3.72Å; N284-Y288 WeakPolarHBondContact O-CD2 2.92Å; N284-Y288 PolarHBondContact O-N 2.9Å; Y288-N292 WeakPolarHBondContact O-CB 3.28Å; Y288-N292 PolarHBondContact O-N 3.5Å; Y288-I295 WeakPolarHBondContact O-CD1 3.25Å |
| 289 | T | 73.1 | Confident | 78.8 | Confident | 18 Ų | 18 | 48 Ų | 48 | 11% | 0.11 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -75.7 | -44.3 | -176.7 | 64.7 | 0 | 0 | 0 | 0 | 113.1 | I43 P285 R291 I295 K296 | I43-T289 HydrophobicContact CD1-CG2 4.3Å; I43-T289 HydrophobicContact CG1-CG2 4.13Å; P285-T289 WeakPolarHBondContact O-CB 3.43Å; P285-T289 WeakPolarHBondContact O-CG2 3.19Å; P285-T289 PolarHBondContact O-N 3.25Å; P285-T289 PolarHBondContact O-OG1 3.42Å; T289-R291 VanDerWaalsContact C-N 3.31Å; T289-R291 PolarHBondContact O-N 3.44Å; T289-I295 HydrophobicContact CG2-CG2 3.64Å; T289-K296 WeakPolarHBondContact O-CG 3.31Å |
| 290 | L | 68.3 | Low | 78.6 | Confident | 101 Ų | 101 | 52.4 Ų | 52.4 | 53% | 0.529 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -74.8 | -21.5 | -173.8 | -62.3 | 174.8 | 0 | 0 | 0 | 112.8 | L286 K296 | L286-L290 HydrophobicContact CB-CD1 4.06Å; L286-L290 HydrophobicContact CD2-CD1 4.09Å; L286-L290 WeakPolarHBondContact O-CB 3.43Å; L286-L290 VanDerWaalsContact O-CG 3.24Å; L286-L290 WeakPolarHBondContact O-CG 3.46Å; L286-L290 PolarHBondContact O-N 3.32Å; L290-K296 VanDerWaalsContact C-CE 3.45Å; L290-K296 WeakPolarHBondContact O-CE 3.49Å; L290-K296 PolarHBondContact O-NZ 3.41Å |
| 291 | R | 69.6 | Low | 78.2 | Confident | 147 Ų | 147 | 54.8 Ų | 54.8 | 56% | 0.555 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -100.2 | -17.9 | 178.5 | -64.5 | -169.3 | 174.1 | -164.2 | 2.6 | 113.6 | V287 T289 | V287-R291 WeakPolarHBondContact O-CB 3.43Å; T289-R291 VanDerWaalsContact C-N 3.31Å; T289-R291 PolarHBondContact O-N 3.44Å |
| 292 | N | 69.9 | Low | 77.7 | Confident | 33 Ų | 33 | 57.6 Ų | 57.6 | 18% | 0.176 | 26% | 0.26 | C | S | . | . | trans | -96.5 | 115.7 | -178 | -164.5 | -31.2 | 0 | 0 | 0 | 113 | Y58 Y288 E294 I295 K296 | Y58-N292 PolarHBondContact OH-ND2 2.87Å; Y288-N292 WeakPolarHBondContact O-CB 3.28Å; Y288-N292 PolarHBondContact O-N 3.5Å; N292-E294 VanDerWaalsContact C-N 3.26Å; N292-E294 PolarHBondContact O-N 3.3Å; N292-E294 WeakPolarHBondContact OD1-CB 3.38Å; N292-E294 PolarHBondContact OD1-N 3.46Å; N292-I295 HydrophobicContact CB-CB 4.23Å; N292-I295 HydrophobicContact CB-CD1 3.94Å; N292-I295 HydrophobicContact CB-CG1 3.88Å; N292-I295 PolarHBondContact O-N 3.22Å; N292-K296 WeakPolarHBondContact O-CG 3.33Å; N292-K296 PolarHBondContact O-N 3.08Å | ||
| 293 | K | 72.4 | Confident | 77.5 | Confident | 163 Ų | 163 | 62.4 Ų | 62.4 | 71% | 0.709 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -62.6 | -31.3 | 178.2 | -69.9 | -173.7 | 179.3 | -177.7 | 0 | 113.1 | R297 | K293-R297 WeakPolarHBondContact O-CG 3.48Å; K293-R297 PolarHBondContact O-N 3.48Å; K293-R297 VanDerWaalsContact O-N 3.08Å |
| 294 | E | 71.2 | Confident | 77 | Confident | 78 Ų | 78 | 63 Ų | 63 | 36% | 0.364 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -69.7 | -44.5 | 179.8 | -64.7 | 172.5 | -178.8 | 0 | 0 | 110.3 | Y58 K234 N292 R297 A298 | Y58-E294 PolarHBondContact OH-OE2 2.98Å; K234-E294 IonicContact NZ-OE1 2.65Å; K234-E294 PolarHBondContact NZ-OE1 2.88Å; N292-E294 VanDerWaalsContact C-N 3.26Å; N292-E294 PolarHBondContact O-N 3.3Å; N292-E294 WeakPolarHBondContact OD1-CB 3.38Å; N292-E294 PolarHBondContact OD1-N 3.46Å; E294-R297 PolarHBondContact O-N 3.49Å; E294-A298 PolarHBondContact O-N 2.73Å |
| 295 | I | 70.3 | Confident | 76.3 | Confident | 4 Ų | 4 | 70.8 Ų | 70.8 | 2% | 0.021 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.6 | -44.7 | 174.7 | -56.1 | -177.3 | 0 | 0 | 0 | 110.9 | L46 L53 Y58 Y288 T289 N292 R297 A298 L299 | L46-I295 HydrophobicContact CD1-CG2 3.81Å; L53-I295 HydrophobicContact CD2-CG1 4.27Å; Y58-I295 HydrophobicContact CE1-CD1 3.66Å; Y58-I295 HydrophobicContact CE1-CG1 3.6Å; Y58-I295 WeakPolarHBondContact OH-CG1 3.41Å; Y288-I295 WeakPolarHBondContact O-CD1 3.25Å; T289-I295 HydrophobicContact CG2-CG2 3.64Å; N292-I295 HydrophobicContact CB-CB 4.23Å; N292-I295 HydrophobicContact CB-CD1 3.94Å; N292-I295 HydrophobicContact CB-CG1 3.88Å; N292-I295 PolarHBondContact O-N 3.22Å; I295-R297 VanDerWaalsContact C-N 3.28Å; I295-R297 PolarHBondContact O-N 2.83Å; I295-A298 PolarHBondContact O-N 3.36Å; I295-A298 VanDerWaalsContact O-N 3.14Å; I295-L299 WeakPolarHBondContact O-CB 3.48Å; I295-L299 PolarHBondContact O-N 2.83Å |
| 296 | K | 76.4 | Confident | 75.4 | Confident | 88 Ų | 88 | 73.6 Ų | 73.6 | 38% | 0.383 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -57.3 | -41.7 | 176.3 | -73.2 | -174.3 | -178.4 | 178.7 | 0 | 112.5 | T289 L290 N292 L299 R300 | T289-K296 WeakPolarHBondContact O-CG 3.31Å; L290-K296 VanDerWaalsContact C-CE 3.45Å; L290-K296 WeakPolarHBondContact O-CE 3.49Å; L290-K296 PolarHBondContact O-NZ 3.41Å; N292-K296 WeakPolarHBondContact O-CG 3.33Å; N292-K296 PolarHBondContact O-N 3.08Å; K296-L299 PolarHBondContact O-N 2.65Å; K296-R300 WeakPolarHBondContact O-CG 3.44Å; K296-R300 PolarHBondContact O-N 3.14Å |
| 297 | R | 76.5 | Confident | 73.7 | Confident | 146 Ų | 146 | 80.3 Ų | 80.3 | 55% | 0.551 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -65.6 | -44.6 | 175.7 | -80.7 | 179.1 | 178.7 | 176.2 | 0.1 | 111.4 | K293 E294 I295 L299 R300 R301 | K293-R297 WeakPolarHBondContact O-CG 3.48Å; K293-R297 PolarHBondContact O-N 3.48Å; K293-R297 VanDerWaalsContact O-N 3.08Å; E294-R297 PolarHBondContact O-N 3.49Å; I295-R297 VanDerWaalsContact C-N 3.28Å; I295-R297 PolarHBondContact O-N 2.83Å; R297-L299 VanDerWaalsContact C-N 3.32Å; R297-L299 PolarHBondContact O-N 3.1Å; R297-R300 PolarHBondContact O-N 2.96Å; R297-R301 VanDerWaalsContact O-CG 3.31Å; R297-R301 WeakPolarHBondContact O-CG 3.07Å; R297-R301 PolarHBondContact O-N 2.68Å |
| 298 | A | 76.5 | Confident | 72.2 | Confident | 3 Ų | 3 | 82.2 Ų | 82.2 | 3% | 0.025 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60.8 | -42.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L46 Y50 L53 E294 I295 R301 L302 | L46-A298 HydrophobicContact CD2-CB 3.96Å; Y50-A298 HydrophobicContact CD2-CB 3.88Å; Y50-A298 HydrophobicContact CE2-CB 4.1Å; Y50-A298 HydrophobicContact CG-CB 4.17Å; Y50-A298 PolarHBondContact OH-O 3.02Å; L53-A298 HydrophobicContact CD1-CB 3.81Å; E294-A298 PolarHBondContact O-N 2.73Å; I295-A298 PolarHBondContact O-N 3.36Å; I295-A298 VanDerWaalsContact O-N 3.14Å; A298-R301 WeakPolarHBondContact O-CB 3.1Å; A298-R301 PolarHBondContact O-N 3.29Å; A298-L302 PolarHBondContact O-N 3.04Å |
| 299 | L | 78.7 | Confident | 70.8 | Confident | 46 Ų | 46 | 85.2 Ų | 85.2 | 24% | 0.241 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 175.8 | -177.9 | 57.2 | 0 | 0 | 0 | 112.6 | L42 L46 I295 K296 R297 R301 L302 L303 | L42-L299 HydrophobicContact CD1-CD1 3.84Å; L42-L299 HydrophobicContact CD2-CD1 3.64Å; L42-L299 HydrophobicContact CD2-CD2 4.4Å; L42-L299 HydrophobicContact CG-CD1 4.27Å; L46-L299 HydrophobicContact CD1-CB 4.44Å; I295-L299 WeakPolarHBondContact O-CB 3.48Å; I295-L299 PolarHBondContact O-N 2.83Å; K296-L299 PolarHBondContact O-N 2.65Å; R297-L299 VanDerWaalsContact C-N 3.32Å; R297-L299 PolarHBondContact O-N 3.1Å; L299-R301 VanDerWaalsContact C-N 3.31Å; L299-R301 PolarHBondContact O-N 2.03Å; L299-L302 PolarHBondContact O-N 3.43Å; L299-L303 HydrophobicContact CD1-CD1 3.97Å; L299-L303 HydrophobicContact CD1-CG 4.15Å; L299-L303 HydrophobicContact CG-CD1 3.97Å; L299-L303 WeakPolarHBondContact O-CB 3.27Å; L299-L303 VanDerWaalsContact O-CG 3.3Å; L299-L303 WeakPolarHBondContact O-CG 3.26Å; L299-L303 PolarHBondContact O-N 2.89Å |
| 300 | R | 81.9 | Confident | 69.5 | Low | 105 Ų | 105 | 93.1 Ų | 93.1 | 40% | 0.396 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -65 | -36.4 | 176.5 | -73 | -172.9 | -56.4 | -142.9 | 9.3 | 112.3 | K296 R297 L303 G304 K305 E306 | K296-R300 WeakPolarHBondContact O-CG 3.44Å; K296-R300 PolarHBondContact O-N 3.14Å; R297-R300 PolarHBondContact O-N 2.96Å; R300-L303 PolarHBondContact O-N 2.91Å; R300-G304 PolarHBondContact O-N 3.5Å; R300-K305 HydrophobicContact CB-CB 4.27Å; R300-K305 WeakPolarHBondContact O-CA 3.19Å; R300-K305 PolarHBondContact O-N 2.98Å; R300-E306 HydrophobicContact CB-CB 4.11Å; R300-E306 IonicContact CZ-OE2 3.5Å; R300-E306 VanDerWaalsContact CZ-OE2 3.32Å; R300-E306 IonicContact NE-OE2 3.77Å; R300-E306 PolarHBondContact NE-OE2 3.45Å; R300-E306 IonicContact NH2-OE1 2.78Å; R300-E306 IonicContact NH2-OE2 3.32Å; R300-E306 PolarHBondContact NH2-OE2 3.27Å; R300-E306 PolarHBondContact O-N 3.2Å |
| 301 | R | 79.8 | Confident | 68.1 | Low | 50 Ų | 50 | 93.4 Ų | 93.4 | 19% | 0.189 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -64.2 | -44.9 | 172.7 | -69.7 | 169.6 | 179.5 | -133 | -11.6 | 111.3 | Y50 R297 A298 L299 L303 G304 E306 D308 | Y50-R301 HydrophobicContact CE1-CB 4.04Å; Y50-R301 VanDerWaalsContact OH-CB 3.31Å; Y50-R301 WeakPolarHBondContact OH-CB 3.48Å; R297-R301 VanDerWaalsContact O-CG 3.31Å; R297-R301 WeakPolarHBondContact O-CG 3.07Å; R297-R301 PolarHBondContact O-N 2.68Å; A298-R301 WeakPolarHBondContact O-CB 3.1Å; A298-R301 PolarHBondContact O-N 3.29Å; L299-R301 VanDerWaalsContact C-N 3.31Å; L299-R301 PolarHBondContact O-N 2.03Å; R301-L303 VanDerWaalsContact C-N 3.29Å; R301-L303 PolarHBondContact O-N 3.46Å; R301-G304 PolarHBondContact O-N 2.96Å; R301-E306 HydrophobicContact CG-CB 4.04Å; R301-D308 IonicContact CZ-OD1 3.07Å; R301-D308 IonicContact NH1-OD1 2.83Å; R301-D308 PolarHBondContact NH1-OD1 3.25Å; R301-D308 IonicContact NH2-OD1 2.65Å |
| 302 | L | 78.2 | Confident | 66.5 | Low | 60 Ų | 60 | 90.6 Ų | 90.6 | 31% | 0.314 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60.9 | -40.1 | 178.3 | -167.7 | 82.2 | 0 | 0 | 0 | 111.6 | L42 L45 L46 L49 Y50 A298 L299 G304 | L42-L302 HydrophobicContact CD1-CD2 3.51Å; L45-L302 HydrophobicContact CD2-CD1 4.26Å; L45-L302 HydrophobicContact CD2-CD2 4.07Å; L46-L302 HydrophobicContact CD2-CB 4.19Å; L46-L302 HydrophobicContact CD2-CD2 4.12Å; L49-L302 HydrophobicContact CD1-CD1 3.66Å; Y50-L302 HydrophobicContact CE2-CB 4.5Å; Y50-L302 HydrophobicContact CE2-CD1 4.35Å; Y50-L302 WeakPolarHBondContact OH-CA 3.49Å; Y50-L302 PolarHBondContact OH-N 3.37Å; Y50-L302 VanDerWaalsContact OH-N 3.09Å; A298-L302 PolarHBondContact O-N 3.04Å; L299-L302 PolarHBondContact O-N 3.43Å; L302-G304 PolarHBondContact O-N 2.91Å |
| 303 | L | 84.3 | Confident | 64.9 | Low | 109 Ų | 109 | 99.6 Ų | 99.6 | 57% | 0.571 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | 7.5 | 177.2 | -64.4 | 173 | 0 | 0 | 0 | 113.8 | L299 R300 R301 K305 | L299-L303 HydrophobicContact CD1-CD1 3.97Å; L299-L303 HydrophobicContact CD1-CG 4.15Å; L299-L303 HydrophobicContact CG-CD1 3.97Å; L299-L303 WeakPolarHBondContact O-CB 3.27Å; L299-L303 VanDerWaalsContact O-CG 3.3Å; L299-L303 WeakPolarHBondContact O-CG 3.26Å; L299-L303 PolarHBondContact O-N 2.89Å; R300-L303 PolarHBondContact O-N 2.91Å; R301-L303 VanDerWaalsContact C-N 3.29Å; R301-L303 PolarHBondContact O-N 3.46Å; L303-K305 PolarHBondContact O-N 3.18Å |
| 304 | G | 77.8 | Confident | 63.5 | Low | 66 Ų | 66 | 103 Ų | 103 | 68% | 0.68 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.4 | 11.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | R300 R301 L302 | R300-G304 PolarHBondContact O-N 3.5Å; R301-G304 PolarHBondContact O-N 2.96Å; L302-G304 PolarHBondContact O-N 2.91Å |
| 305 | K | 72.8 | Confident | 62.1 | Low | 167 Ų | 167 | 103.8 Ų | 103.8 | 73% | 0.726 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -86.7 | -8.9 | -179.4 | -72.2 | -176.3 | 175.9 | 178.1 | 0 | 114.1 | R300 L303 | R300-K305 HydrophobicContact CB-CB 4.27Å; R300-K305 WeakPolarHBondContact O-CA 3.19Å; R300-K305 PolarHBondContact O-N 2.98Å; L303-K305 PolarHBondContact O-N 3.18Å |
| 306 | E | 61.7 | Low | 60.6 | Low | 64 Ų | 64 | 110.6 Ų | 110.6 | 30% | 0.299 | 55% | 0.548 | S | S | . | . | S | Bend | trans | -139.4 | 109.7 | 176.9 | -135.5 | 171.3 | 159.4 | 0 | 0 | 108 | R300 R301 | R300-E306 HydrophobicContact CB-CB 4.11Å; R300-E306 IonicContact CZ-OE2 3.5Å; R300-E306 VanDerWaalsContact CZ-OE2 3.32Å; R300-E306 IonicContact NE-OE2 3.77Å; R300-E306 PolarHBondContact NE-OE2 3.45Å; R300-E306 IonicContact NH2-OE1 2.78Å; R300-E306 IonicContact NH2-OE2 3.32Å; R300-E306 PolarHBondContact NH2-OE2 3.27Å; R300-E306 PolarHBondContact O-N 3.2Å; R301-E306 HydrophobicContact CG-CB 4.04Å |
| 307 | R | 48.6 | Very low | 59.8 | Low | 212 Ų | 212 | 111.8 Ų | 111.8 | 80% | 0.8 | 56% | 0.557 | S | S | * | * | trans | -69.9 | 135.6 | -178.7 | -144.3 | 176.2 | -173.1 | 166.3 | 10.2 | 109.6 | S309 E311 | R307-S309 PolarHBondContact O-N 2.85Å; R307-E311 IonicContact CZ-OE2 3.78Å; R307-E311 IonicContact NE-OE2 2.96Å; R307-E311 PolarHBondContact NE-OE2 3.36Å; R307-E311 IonicContact NH2-OE2 3.88Å | ||
| 308 | D | 52.1 | Low | 59 | Low | 59 Ų | 59 | 109.9 Ų | 109.9 | 32% | 0.316 | 56% | 0.557 | S | S | . | * | trans | -64.8 | 123.3 | -179.5 | -163.9 | 29.8 | 0 | 0 | 0 | 109 | R301 R310 E311 | R301-D308 IonicContact CZ-OD1 3.07Å; R301-D308 IonicContact NH1-OD1 2.83Å; R301-D308 PolarHBondContact NH1-OD1 3.25Å; R301-D308 IonicContact NH2-OD1 2.65Å; D308-R310 PolarHBondContact O-N 2.89Å; D308-E311 PolarHBondContact O-N 2.94Å | ||
| 309 | S | 47.6 | Very low | 58 | Low | 70 Ų | 70 | 115.9 Ų | 115.9 | 49% | 0.49 | 59% | 0.586 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.3 | -1.6 | 177.6 | 41.4 | 0 | 0 | 0 | 0 | 113.8 | R307 | R307-S309 PolarHBondContact O-N 2.85Š|
| 310 | R | 45.4 | Very low | 56.8 | Low | 185 Ų | 185 | 120 Ų | 120 | 70% | 0.698 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | -20.9 | 167.7 | -76.8 | -176.6 | -175.2 | 178.1 | 3.3 | 114 | D308 S312 | D308-R310 PolarHBondContact O-N 2.89Å; R310-S312 VanDerWaalsContact C-N 3.34Å |
| 311 | E | 37.7 | Very low | 55.2 | Low | 106 Ų | 106 | 120.9 Ų | 120.9 | 50% | 0.495 | 62% | 0.62 | S | S | . | * | G | 310 helix | trans | -77.1 | -21.7 | 174.9 | -72.8 | -169.4 | 159 | 0 | 0 | 112.7 | R307 D308 W313 R314 | R307-E311 IonicContact CZ-OE2 3.78Å; R307-E311 IonicContact NE-OE2 2.96Å; R307-E311 PolarHBondContact NE-OE2 3.36Å; R307-E311 IonicContact NH2-OE2 3.88Å; D308-E311 PolarHBondContact O-N 2.94Å; E311-W313 PolarHBondContact O-N 2.61Å; E311-W313 VanDerWaalsContact O-N 3.15Å; E311-R314 PolarHBondContact O-N 3.2Å |
| 312 | S | 36 | Very low | 53.6 | Low | 89 Ų | 89 | 125.7 Ų | 125.7 | 62% | 0.622 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -64.4 | -17.8 | 178.5 | -177 | 0 | 0 | 0 | 0 | 114.1 | R310 | R310-S312 VanDerWaalsContact C-N 3.34Š|
| 313 | W | 37.4 | Very low | 51.8 | Low | 221 Ų | 221 | 130.4 Ų | 130.4 | 84% | 0.837 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -97.2 | -2.4 | -179.6 | -73.2 | 93.8 | 0 | 0 | 0 | 113.9 | E311 | E311-W313 PolarHBondContact O-N 2.61Å; E311-W313 VanDerWaalsContact O-N 3.15Å |
| 314 | R | 43 | Very low | 49.3 | Very low | 236 Ų | 236 | 132 Ų | 132 | 89% | 0.891 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -108.3 | -0.9 | 175.3 | -66.3 | -169.8 | -166.2 | 171.9 | 3.3 | 113.6 | E311 | E311-R314 PolarHBondContact O-N 3.2Š|
| 315 | A | 41.2 | Very low | 46.9 | Very low | 94 Ų | 94 | 137.5 Ų | 137.5 | 78% | 0.777 | 68% | 0.68 | S | S | * | * | trans | -119.1 | 16 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 316 | A | 39.8 | Very low | 44.6 | Very low | 147 Ų | 147 | 134.8 Ų | 134.8 | 100% | 1.215 | 68% | 0.676 | S | S | * | * | trans | -130.4 | 0 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.1 |
Retrieved 316 of 316 residues in 1029.4 ms
(Link to these results)