| 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 | 43.7 | Very low | 58.8 | Low | 238 Ų | 238 | 81.1 Ų | 81.1 | 100% | 1.172 | 47% | 0.474 | S | S | * | . | 0 | 27.1 | 0 | -78.5 | -176.8 | 173.8 | 0 | 0 | 111.7 | |||||
| 2 | E | 46.9 | Very low | 59.5 | Low | 202 Ų | 202 | 84.2 Ų | 84.2 | 94% | 0.944 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | 8.6 | -171.9 | -71.2 | 179.4 | 148.6 | 0 | 0 | 115.3 | ||
| 3 | G | 55.3 | Low | 60.3 | Low | 24 Ų | 24 | 79.6 Ų | 79.6 | 25% | 0.247 | 45% | 0.453 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | -1.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | L300 | G3-L300 PolarHBondContact O-N 2.98Å; G3-L300 VanDerWaalsContact O-N 3.12Å |
| 4 | L | 58.7 | Low | 60.6 | Low | 68 Ų | 68 | 77.7 Ų | 77.7 | 36% | 0.356 | 45% | 0.445 | S | S | . | . | B | Isolated β-bridge | trans | -100.3 | 123.9 | -177.6 | -121.1 | 85.5 | 0 | 0 | 0 | 110.4 | T8 I10 V183 L300 | L4-T8 HydrophobicContact CD2-CG2 4.41Å; L4-T8 WeakPolarHBondContact CD2-O 3.39Å; L4-T8 HydrophobicContact CG-CG2 4.18Å; L4-I10 HydrophobicContact CD2-CG1 4.49Å; L4-V183 HydrophobicContact CD1-CG1 3.31Å; L4-L300 HydrophobicContact CD1-CD1 3.95Å |
| 5 | S | 61 | Low | 61 | Low | 26 Ų | 26 | 81.7 Ų | 81.7 | 18% | 0.182 | 47% | 0.471 | C | S | . | . | P | Polyproline II helix | trans | -75.2 | 148.9 | 166.2 | 66.4 | 0 | 0 | 0 | 0 | 110.4 | G7 T8 L300 P302 | S5-G7 PolarHBondContact O-N 3.26Å; S5-T8 PolarHBondContact O-N 3.31Å; S5-T8 VanDerWaalsContact O-N 3.16Å; S5-T8 PolarHBondContact O-OG1 2.93Å; S5-T8 PolarHBondContact OG-OG1 3.39Å; S5-L300 WeakPolarHBondContact CB-O 3.14Å; S5-L300 PolarHBondContact N-O 3.41Å; S5-L300 PolarHBondContact OG-O 2.88Å; S5-P302 VanDerWaalsContact OG-CD 3.28Å; S5-P302 WeakPolarHBondContact OG-CD 3.32Å |
| 6 | S | 58 | Low | 61.3 | Low | 125 Ų | 125 | 78.5 Ų | 78.5 | 87% | 0.874 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 121 | 177.6 | -178.8 | 0 | 0 | 0 | 0 | 110.7 | ||
| 7 | G | 60.7 | Low | 61.6 | Low | 61 Ų | 61 | 78.1 Ų | 78.1 | 63% | 0.629 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.2 | 0.7 | -180 | 0 | 0 | 0 | 0 | 0 | 116.1 | S5 | S5-G7 PolarHBondContact O-N 3.26Š|
| 8 | T | 60.4 | Low | 61.5 | Low | 15 Ų | 15 | 82.9 Ų | 82.9 | 9% | 0.092 | 48% | 0.475 | C | S | . | . | trans | -76.7 | 128.6 | 176.7 | -47.1 | 0 | 0 | 0 | 0 | 111.2 | L4 S5 L300 C320 | L4-T8 HydrophobicContact CD2-CG2 4.41Å; L4-T8 WeakPolarHBondContact CD2-O 3.39Å; L4-T8 HydrophobicContact CG-CG2 4.18Å; S5-T8 PolarHBondContact O-N 3.31Å; S5-T8 VanDerWaalsContact O-N 3.16Å; S5-T8 PolarHBondContact O-OG1 2.93Å; S5-T8 PolarHBondContact OG-OG1 3.39Å; T8-L300 HydrophobicContact CG2-CB 3.9Å; T8-L300 PolarHBondContact OG1-O 3.5Å; T8-C320 HydrophobicContact CG2-CB 3.7Å | ||
| 9 | V | 66.7 | Low | 61.7 | Low | 37 Ų | 37 | 81.1 Ų | 81.1 | 22% | 0.224 | 46% | 0.463 | C | S | . | . | trans | -90.5 | 131 | 176.4 | 179.9 | 0 | 0 | 0 | 0 | 110.7 | V11 T406 | V9-V11 PolarHBondContact O-N 2.88Å; V9-V11 VanDerWaalsContact O-N 3.1Å; V9-T406 HydrophobicContact CG1-CG2 4.49Å; V9-T406 HydrophobicContact CG2-CG2 3.79Å | ||
| 10 | I | 67.4 | Low | 61.4 | Low | 91 Ų | 91 | 82.2 Ų | 82.2 | 47% | 0.467 | 47% | 0.473 | S | S | . | . | trans | -73 | 104.4 | 171.9 | -57.9 | 173.7 | 0 | 0 | 0 | 108.1 | L4 Q12 | L4-I10 HydrophobicContact CD2-CG1 4.49Å; I10-Q12 HydrophobicContact CG2-CG 4.33Å; I10-Q12 PolarHBondContact O-N 3.12Å | ||
| 11 | V | 68.5 | Low | 61.1 | Low | 5 Ų | 5 | 83.4 Ų | 83.4 | 3% | 0.03 | 48% | 0.476 | C | S | . | . | trans | -69.3 | 122.4 | 174.7 | -179.4 | 0 | 0 | 0 | 0 | 108.4 | V9 V274 H275 P319 L402 | V9-V11 PolarHBondContact O-N 2.88Å; V9-V11 VanDerWaalsContact O-N 3.1Å; V11-V274 HydrophobicContact CG1-CG1 3.92Å; V11-H275 PolarHBondContact O-CE1 3.41Å; V11-P319 HydrophobicContact CG2-CB 3.78Å; V11-P319 HydrophobicContact CG2-CG 3.59Å; V11-L402 HydrophobicContact CB-CD2 4.32Å; V11-L402 HydrophobicContact CG1-CD1 4.29Å; V11-L402 HydrophobicContact CG1-CD2 3.81Å; V11-L402 HydrophobicContact CG2-CD2 4.4Å | ||
| 12 | Q | 66.9 | Low | 61.6 | Low | 118 Ų | 118 | 77.1 Ų | 77.1 | 55% | 0.551 | 45% | 0.45 | S | S | * | . | trans | -126.8 | 127.2 | 171.8 | -76.1 | 177.7 | -19 | 0 | 0 | 108.2 | I10 K405 | I10-Q12 HydrophobicContact CG2-CG 4.33Å; I10-Q12 PolarHBondContact O-N 3.12Å; Q12-K405 VanDerWaalsContact OE1-NZ 3.09Å | ||
| 13 | H | 69.1 | Low | 62.4 | Low | 25 Ų | 25 | 69.9 Ų | 69.9 | 12% | 0.116 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -93.9 | 143.6 | -179.3 | -63 | -65.4 | 0 | 0 | 0 | 111.3 | R271 H275 S398 | H13-R271 HydrophobicContact CB-CG 4.47Å; H13-H275 AromaticContact CD2-NE2 3.44Å; H13-H275 PolarHBondContact CD2-NE2 3.2Å; H13-H275 AromaticContact NE2-CD2 3.51Å; H13-H275 AromaticContact NE2-NE2 3.28Å; H13-H275 PolarHBondContact NE2-NE2 3.07Å; H13-S398 PolarHBondContact ND1-OG 3.49Å |
| 14 | P | 65 | Low | 63.3 | Low | 53 Ų | 53 | 71 Ų | 71 | 34% | 0.344 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 148.1 | 169.8 | 25.7 | -31.7 | 0 | 0 | 0 | 110.5 | F16 R271 L401 | P14-F16 PolarHBondContact O-N 3.11Å; P14-R271 PolarHBondContact O-NH2 3.26Å; P14-L401 HydrophobicContact CB-CD1 4.47Å; P14-L401 HydrophobicContact CG-CD1 4.2Å |
| 15 | V | 66.9 | Low | 64.4 | Low | 138 Ų | 138 | 69.9 Ų | 69.9 | 84% | 0.836 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -57.5 | 124.8 | 176.7 | -179 | 0 | 0 | 0 | 0 | 108.3 | ||
| 16 | F | 65.4 | Low | 65.5 | Low | 30 Ų | 30 | 71.1 Ų | 71.1 | 13% | 0.132 | 43% | 0.426 | C | S | . | . | P | Polyproline II helix | trans | -64 | 130.6 | 177.7 | -167.4 | -99.4 | 0 | 0 | 0 | 108.1 | P14 D18 I19 I263 Q264 D267 I394 | P14-F16 PolarHBondContact O-N 3.11Å; F16-D18 PolarHBondContact O-N 3.48Å; F16-I19 HydrophobicContact CE1-CB 4.49Å; F16-I19 HydrophobicContact CE1-CD1 3.86Å; F16-I19 HydrophobicContact CE1-CG1 4.09Å; F16-I19 HydrophobicContact CZ-CD1 3.77Å; F16-I19 HydrophobicContact CZ-CG1 4.49Å; F16-I263 HydrophobicContact CZ-CG2 4.12Å; F16-Q264 HydrophobicContact CE1-CG 4.09Å; F16-D267 HydrophobicContact CD2-CB 4Å; F16-D267 WeakPolarHBondContact CD2-OD2 3.28Å; F16-D267 HydrophobicContact CE2-CB 3.66Å; F16-D267 HydrophobicContact CZ-CB 4.44Å; F16-I394 HydrophobicContact CD2-CD1 4.38Å; F16-I394 HydrophobicContact CE2-CD1 3.63Å; F16-I394 HydrophobicContact CZ-CD1 4.16Å |
| 17 | P | 66 | Low | 67 | Low | 72 Ų | 72 | 71 Ų | 71 | 47% | 0.468 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 138 | 175.8 | 25.5 | -31.9 | 0 | 0 | 0 | 109 | I19 | P17-I19 HydrophobicContact CG-CG1 4.3Å; P17-I19 PolarHBondContact O-N 3.27Å |
| 18 | D | 61.3 | Low | 68.3 | Low | 164 Ų | 164 | 68.2 Ų | 68.2 | 88% | 0.877 | 38% | 0.38 | S | S | * | . | trans | -67.1 | 82.3 | 175.7 | -72.1 | -37.7 | 0 | 0 | 0 | 109.8 | F16 P20 | F16-D18 PolarHBondContact O-N 3.48Å; D18-P20 WeakPolarHBondContact O-CD 3.44Å | ||
| 19 | I | 63.9 | Low | 69.7 | Low | 48 Ų | 48 | 67.7 Ų | 67.7 | 25% | 0.246 | 38% | 0.377 | C | S | . | . | trans | -76.5 | 114.4 | 170.2 | -53.8 | 173.7 | 0 | 0 | 0 | 105 | F16 P17 M21 V22 I263 Q264 I390 | F16-I19 HydrophobicContact CE1-CB 4.49Å; F16-I19 HydrophobicContact CE1-CD1 3.86Å; F16-I19 HydrophobicContact CE1-CG1 4.09Å; F16-I19 HydrophobicContact CZ-CD1 3.77Å; F16-I19 HydrophobicContact CZ-CG1 4.49Å; P17-I19 HydrophobicContact CG-CG1 4.3Å; P17-I19 PolarHBondContact O-N 3.27Å; I19-M21 PolarHBondContact O-N 3.26Å; I19-M21 VanDerWaalsContact O-N 3.14Å; I19-V22 HydrophobicContact CG2-CG2 4.5Å; I19-I263 HydrophobicContact CD1-CG2 4.28Å; I19-Q264 PolarHBondContact O-NE2 3.38Å; I19-Q264 VanDerWaalsContact O-NE2 3.16Å; I19-I390 HydrophobicContact CD1-CG2 4.19Å | ||
| 20 | P | 56.8 | Low | 70.8 | Confident | 103 Ų | 103 | 67.4 Ų | 67.4 | 67% | 0.669 | 38% | 0.376 | S | S | * | . | trans | -54.5 | 128.1 | 176.6 | 22.6 | -31.8 | 0 | 0 | 0 | 107.3 | D18 V22 | D18-P20 WeakPolarHBondContact O-CD 3.44Å; P20-V22 WeakPolarHBondContact O-CA 3.23Å; P20-V22 VanDerWaalsContact O-CG2 3.23Å; P20-V22 WeakPolarHBondContact O-CG2 3.37Å; P20-V22 PolarHBondContact O-N 3.28Å | ||
| 21 | M | 55.2 | Low | 72 | Confident | 108 Ų | 108 | 65.3 Ų | 65.3 | 53% | 0.532 | 37% | 0.368 | S | S | . | . | trans | -53.6 | 106.4 | 175.1 | -70.3 | -161.1 | 94.3 | 0 | 0 | 107.3 | I19 Q23 I176 P262 | I19-M21 PolarHBondContact O-N 3.26Å; I19-M21 VanDerWaalsContact O-N 3.14Å; M21-Q23 PolarHBondContact O-N 3.31Å; M21-I176 HydrophobicContact CE-CD1 3.87Å; M21-I176 HydrophobicContact SD-CD1 4.33Å; M21-P262 HydrophobicContact CE-CB 3.65Å; M21-P262 HydrophobicContact CE-CG 3.82Å | ||
| 22 | V | 53.9 | Low | 73 | Confident | 106 Ų | 106 | 65.6 Ų | 65.6 | 64% | 0.642 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -66.6 | -13.2 | -162.2 | 178.7 | 0 | 0 | 0 | 0 | 111.7 | I19 P20 | I19-V22 HydrophobicContact CG2-CG2 4.5Å; P20-V22 WeakPolarHBondContact O-CA 3.23Å; P20-V22 VanDerWaalsContact O-CG2 3.23Å; P20-V22 WeakPolarHBondContact O-CG2 3.37Å; P20-V22 PolarHBondContact O-N 3.28Å |
| 23 | Q | 63 | Low | 74.2 | Confident | 51 Ų | 51 | 62.9 Ų | 62.9 | 24% | 0.238 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -134.4 | 110.6 | -177.3 | -65.2 | -176 | -31.8 | 0 | 0 | 110.6 | M21 F27 | M21-Q23 PolarHBondContact O-N 3.31Å; Q23-F27 HydrophobicContact CB-CD1 4.21Å; Q23-F27 HydrophobicContact CG-CD1 3.86Å; Q23-F27 HydrophobicContact CG-CE1 4.18Å |
| 24 | G | 74.6 | Confident | 75.4 | Confident | 48 Ų | 48 | 67.3 Ų | 67.3 | 50% | 0.495 | 38% | 0.379 | S | S | . | . | trans | -62.7 | 150.7 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | L26 F27 F28 | G24-L26 PolarHBondContact O-N 3.03Å; G24-F27 PolarHBondContact O-N 3.05Å; G24-F28 PolarHBondContact O-N 3.32Å; G24-F28 VanDerWaalsContact O-N 3.17Å | ||
| 25 | E | 81.4 | Confident | 76.8 | Confident | 43 Ų | 43 | 65.4 Ų | 65.4 | 20% | 0.201 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -45.4 | -47.5 | 176.4 | -176.2 | -178.3 | -168.8 | 0 | 0 | 111.6 | F27 F28 E29 K90 | E25-F27 PolarHBondContact O-N 3.02Å; E25-F28 PolarHBondContact O-N 3.01Å; E25-E29 WeakPolarHBondContact O-CG 3.44Å; E25-E29 PolarHBondContact O-N 2.82Å; E25-K90 IonicContact OE1-NZ 3.32Å; E25-K90 IonicContact OE2-NZ 3.31Å; E25-K90 PolarHBondContact OE2-NZ 3.33Å |
| 26 | L | 85.2 | Confident | 78.1 | Confident | 53 Ų | 53 | 59 Ų | 59 | 28% | 0.277 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.9 | -42.9 | 178 | -175.1 | 69.3 | 0 | 0 | 0 | 113.3 | G24 F28 C30 C87 F88 | G24-L26 PolarHBondContact O-N 3.03Å; L26-F28 VanDerWaalsContact C-N 3.35Å; L26-C30 WeakPolarHBondContact O-CB 3.49Å; L26-C30 PolarHBondContact O-N 3.04Å; L26-C30 PolarHBondContact O-SG 2.65Å; L26-C87 HydrophobicContact CD1-CB 3.65Å; L26-F88 HydrophobicContact CD1-CD2 3.77Å; L26-F88 HydrophobicContact CD1-CE2 3.88Å; L26-F88 HydrophobicContact CD1-CG 4.16Å; L26-F88 HydrophobicContact CD1-CZ 4.35Å |
| 27 | F | 88.1 | Confident | 79.5 | Confident | 122 Ų | 122 | 60.3 Ų | 60.3 | 54% | 0.535 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66.4 | -40.5 | -177.9 | 179.4 | -92.7 | 0 | 0 | 0 | 111.3 | Q23 G24 E25 T31 | Q23-F27 HydrophobicContact CB-CD1 4.21Å; Q23-F27 HydrophobicContact CG-CD1 3.86Å; Q23-F27 HydrophobicContact CG-CE1 4.18Å; G24-F27 PolarHBondContact O-N 3.05Å; E25-F27 PolarHBondContact O-N 3.02Å; F27-T31 WeakPolarHBondContact O-CB 3.41Å; F27-T31 PolarHBondContact O-N 3.02Å; F27-T31 PolarHBondContact O-OG1 3.06Å |
| 28 | F | 89.3 | Confident | 80.9 | Confident | 2 Ų | 2 | 59.4 Ų | 59.4 | 1% | 0.009 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.1 | -51.2 | 176.4 | 171.5 | -103.5 | 0 | 0 | 0 | 111.7 | G24 E25 L26 C30 T31 L32 L255 Y256 Y259 | G24-F28 PolarHBondContact O-N 3.32Å; G24-F28 VanDerWaalsContact O-N 3.17Å; E25-F28 PolarHBondContact O-N 3.01Å; L26-F28 VanDerWaalsContact C-N 3.35Å; F28-C30 VanDerWaalsContact C-N 3.29Å; F28-C30 PolarHBondContact O-N 2.75Å; F28-T31 WeakPolarHBondContact O-CB 3.37Å; F28-T31 PolarHBondContact O-N 3.13Å; F28-L32 PolarHBondContact O-N 3.15Å; F28-L255 HydrophobicContact CE2-CG 4.04Å; F28-L255 WeakPolarHBondContact CE2-O 3.45Å; F28-Y256 AromaticContact CE1-CD1 3.94Å; F28-Y256 HydrophobicContact CE1-CD1 3.94Å; F28-Y256 AromaticContact CE1-CE1 3.61Å; F28-Y256 HydrophobicContact CE1-CE1 3.61Å; F28-Y256 AromaticContact CZ-CD1 3.7Å; F28-Y256 HydrophobicContact CZ-CD1 3.7Å; F28-Y256 HydrophobicContact CZ-CD2 4.44Å; F28-Y256 AromaticContact CZ-CE1 3.79Å; F28-Y256 HydrophobicContact CZ-CE1 3.79Å; F28-Y256 HydrophobicContact CZ-CG 4.04Å; F28-Y259 HydrophobicContact CB-CD2 3.47Å; F28-Y259 VanDerWaalsContact CB-CD2 3.47Å; F28-Y259 HydrophobicContact CB-CE2 3.5Å; F28-Y259 HydrophobicContact CB-CG 4.09Å; F28-Y259 AromaticContact CD1-CD1 3.39Å; F28-Y259 HydrophobicContact CD1-CD1 3.39Å; F28-Y259 AromaticContact CD1-CD2 3.74Å; F28-Y259 HydrophobicContact CD1-CD2 3.74Å; F28-Y259 AromaticContact CD1-CE1 3.58Å; F28-Y259 HydrophobicContact CD1-CE1 3.58Å; F28-Y259 AromaticContact CD1-CE2 3.92Å; F28-Y259 HydrophobicContact CD1-CE2 3.92Å; F28-Y259 AromaticContact CD1-CG 3.48Å; F28-Y259 HydrophobicContact CD1-CG 3.48Å; F28-Y259 VanDerWaalsContact CD1-CG 3.48Å; F28-Y259 AromaticContact CD1-CZ 3.85Å; F28-Y259 HydrophobicContact CD2-CD1 4.19Å; F28-Y259 AromaticContact CD2-CD2 3.57Å; F28-Y259 HydrophobicContact CD2-CD2 3.57Å; F28-Y259 HydrophobicContact CD2-CE2 4.41Å; F28-Y259 AromaticContact CD2-CG 3.43Å; F28-Y259 HydrophobicContact CD2-CG 3.43Å; F28-Y259 VanDerWaalsContact CD2-CG 3.43Å; F28-Y259 AromaticContact CE1-CD1 3.38Å; F28-Y259 HydrophobicContact CE1-CD1 3.38Å; F28-Y259 HydrophobicContact CE1-CD2 4.4Å; F28-Y259 AromaticContact CE1-CE1 3.9Å; F28-Y259 HydrophobicContact CE1-CE1 3.9Å; F28-Y259 AromaticContact CE1-CG 3.68Å; F28-Y259 HydrophobicContact CE1-CG 3.68Å; F28-Y259 HydrophobicContact CE2-CD1 4.16Å; F28-Y259 HydrophobicContact CE2-CD2 4.24Å; F28-Y259 AromaticContact CE2-CG 3.62Å; F28-Y259 HydrophobicContact CE2-CG 3.62Å; F28-Y259 AromaticContact CG-CD1 3.81Å; F28-Y259 HydrophobicContact CG-CD1 3.81Å; F28-Y259 AromaticContact CG-CD2 3.27Å; F28-Y259 HydrophobicContact CG-CD2 3.27Å; F28-Y259 HydrophobicContact CG-CE1 4.16Å; F28-Y259 AromaticContact CG-CE2 3.67Å; F28-Y259 HydrophobicContact CG-CE2 3.67Å; F28-Y259 AromaticContact CG-CG 3.35Å; F28-Y259 HydrophobicContact CG-CG 3.35Å; F28-Y259 AromaticContact CZ-CD1 3.79Å; F28-Y259 HydrophobicContact CZ-CD1 3.79Å; F28-Y259 AromaticContact CZ-CG 3.75Å; F28-Y259 HydrophobicContact CZ-CG 3.75Å |
| 29 | E | 88.8 | Confident | 82.5 | Confident | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.019 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61 | -39.7 | -179.9 | -69 | -65.6 | 162.1 | 0 | 0 | 111 | E25 T31 L32 F33 R83 V84 | E25-E29 WeakPolarHBondContact O-CG 3.44Å; E25-E29 PolarHBondContact O-N 2.82Å; E29-T31 PolarHBondContact O-N 3.49Å; E29-L32 PolarHBondContact O-N 3.27Å; E29-F33 WeakPolarHBondContact O-CB 3.46Å; E29-F33 PolarHBondContact O-N 2.94Å; E29-R83 WeakPolarHBondContact OE2-CB 3.42Å; E29-V84 HydrophobicContact CB-CG2 3.81Å; E29-V84 WeakPolarHBondContact O-CG2 3.22Å |
| 30 | C | 91.2 | Very high | 84 | Confident | 31 Ų | 31 | 49.7 Ų | 49.7 | 21% | 0.209 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.6 | -43 | 172.8 | -74.7 | 0 | 0 | 0 | 0 | 112.6 | L26 F28 L32 F33 L34 | L26-C30 WeakPolarHBondContact O-CB 3.49Å; L26-C30 PolarHBondContact O-N 3.04Å; L26-C30 PolarHBondContact O-SG 2.65Å; F28-C30 VanDerWaalsContact C-N 3.29Å; F28-C30 PolarHBondContact O-N 2.75Å; C30-L32 VanDerWaalsContact C-N 3.33Å; C30-L32 PolarHBondContact O-N 3.32Å; C30-F33 PolarHBondContact O-N 3.37Å; C30-L34 WeakPolarHBondContact O-CB 3.47Å; C30-L34 VanDerWaalsContact O-CG 3.32Å; C30-L34 WeakPolarHBondContact O-CG 3.36Å; C30-L34 PolarHBondContact O-N 3.16Å |
| 31 | T | 91.4 | Very high | 85.7 | Confident | 48 Ų | 48 | 49.4 Ų | 49.4 | 29% | 0.294 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.2 | -43.6 | 178.4 | -58.2 | 0 | 0 | 0 | 0 | 110.9 | F27 F28 E29 L34 Y35 | F27-T31 WeakPolarHBondContact O-CB 3.41Å; F27-T31 PolarHBondContact O-N 3.02Å; F27-T31 PolarHBondContact O-OG1 3.06Å; F28-T31 WeakPolarHBondContact O-CB 3.37Å; F28-T31 PolarHBondContact O-N 3.13Å; E29-T31 PolarHBondContact O-N 3.49Å; T31-L34 PolarHBondContact O-N 2.55Å; T31-Y35 WeakPolarHBondContact O-CB 3.34Å; T31-Y35 PolarHBondContact O-N 3.01Å |
| 32 | L | 90.3 | Very high | 87.5 | Confident | 10 Ų | 10 | 44.2 Ų | 44.2 | 5% | 0.052 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.7 | -40.9 | 177.4 | -178.3 | 80 | 0 | 0 | 0 | 112.2 | F28 E29 C30 Y35 S36 L255 Y256 | F28-L32 PolarHBondContact O-N 3.15Å; E29-L32 PolarHBondContact O-N 3.27Å; C30-L32 VanDerWaalsContact C-N 3.33Å; C30-L32 PolarHBondContact O-N 3.32Å; L32-Y35 PolarHBondContact O-N 3.3Å; L32-S36 WeakPolarHBondContact O-CB 3.19Å; L32-S36 PolarHBondContact O-N 3.47Å; L32-S36 PolarHBondContact O-OG 2.85Å; L32-L255 HydrophobicContact CB-CD2 4.36Å; L32-L255 HydrophobicContact CD1-CD2 3.72Å; L32-Y256 HydrophobicContact CD1-CD2 4.07Å; L32-Y256 HydrophobicContact CD1-CE2 3.59Å; L32-Y256 HydrophobicContact CD2-CD2 4.47Å; L32-Y256 HydrophobicContact CD2-CE1 4.47Å; L32-Y256 HydrophobicContact CD2-CE2 3.33Å; L32-Y256 WeakPolarHBondContact CD2-OH 3.48Å; L32-Y256 HydrophobicContact CG-CE2 4.09Å |
| 33 | F | 92.3 | Very high | 89.4 | Confident | 61 Ų | 61 | 39.2 Ų | 39.2 | 27% | 0.268 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.2 | -45.8 | 176 | 175.4 | -109.8 | 0 | 0 | 0 | 111.3 | E29 C30 Y35 S36 V37 L80 G81 V84 | E29-F33 WeakPolarHBondContact O-CB 3.46Å; E29-F33 PolarHBondContact O-N 2.94Å; C30-F33 PolarHBondContact O-N 3.37Å; F33-Y35 VanDerWaalsContact C-N 3.31Å; F33-Y35 PolarHBondContact O-N 3.47Å; F33-S36 PolarHBondContact O-N 3.46Å; F33-S36 VanDerWaalsContact O-N 3.14Å; F33-V37 HydrophobicContact CD1-CG2 4.37Å; F33-V37 HydrophobicContact CD2-CG2 4.19Å; F33-V37 HydrophobicContact CE1-CG2 3.97Å; F33-V37 HydrophobicContact CE2-CG2 3.76Å; F33-V37 HydrophobicContact CG-CG2 4.48Å; F33-V37 HydrophobicContact CZ-CG2 3.65Å; F33-V37 WeakPolarHBondContact O-CG2 3.44Å; F33-V37 PolarHBondContact O-N 2.67Å; F33-L80 HydrophobicContact CD2-CB 4.46Å; F33-G81 VanDerWaalsContact CD2-CA 3.47Å; F33-G81 VanDerWaalsContact CE2-CA 3.42Å; F33-V84 HydrophobicContact CB-CG2 3.55Å; F33-V84 HydrophobicContact CG-CG2 4.16Å |
| 34 | L | 93.7 | Very high | 90.8 | Very high | 118 Ų | 118 | 37.2 Ų | 37.2 | 62% | 0.618 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -59.8 | -42.2 | 174.4 | -73.4 | 173.1 | 0 | 0 | 0 | 111.8 | C30 T31 V37 L38 | C30-L34 WeakPolarHBondContact O-CB 3.47Å; C30-L34 VanDerWaalsContact O-CG 3.32Å; C30-L34 WeakPolarHBondContact O-CG 3.36Å; C30-L34 PolarHBondContact O-N 3.16Å; T31-L34 PolarHBondContact O-N 2.55Å; L34-V37 PolarHBondContact O-N 3.22Å; L34-L38 WeakPolarHBondContact O-CB 3.46Å; L34-L38 PolarHBondContact O-N 3.06Å |
| 35 | Y | 94.7 | Very high | 91.5 | Very high | 14 Ų | 14 | 35.5 Ų | 35.5 | 6% | 0.055 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.9 | -44.5 | 173.7 | 176.4 | -101.2 | 0 | 0 | 0 | 111.9 | T31 L32 F33 V37 L38 V39 V248 T251 A252 L373 A376 | T31-Y35 WeakPolarHBondContact O-CB 3.34Å; T31-Y35 PolarHBondContact O-N 3.01Å; L32-Y35 PolarHBondContact O-N 3.3Å; F33-Y35 VanDerWaalsContact C-N 3.31Å; F33-Y35 PolarHBondContact O-N 3.47Å; Y35-V37 PolarHBondContact O-N 3.5Å; Y35-L38 WeakPolarHBondContact O-CB 3.31Å; Y35-L38 PolarHBondContact O-N 3.14Å; Y35-V39 HydrophobicContact CD1-CG2 4.26Å; Y35-V39 HydrophobicContact CE1-CG2 3.73Å; Y35-V39 HydrophobicContact CE2-CG2 4Å; Y35-V39 WeakPolarHBondContact O-CG2 3.45Å; Y35-V39 PolarHBondContact O-N 3.27Å; Y35-V248 HydrophobicContact CE1-CG1 4.36Å; Y35-T251 HydrophobicContact CD2-CG2 4.32Å; Y35-T251 HydrophobicContact CE1-CG2 3.98Å; Y35-T251 HydrophobicContact CE2-CG2 3.51Å; Y35-T251 WeakPolarHBondContact OH-CB 3.26Å; Y35-T251 VanDerWaalsContact OH-CG2 3.27Å; Y35-T251 WeakPolarHBondContact OH-CG2 3.44Å; Y35-A252 HydrophobicContact CE1-CB 4.45Å; Y35-L373 HydrophobicContact CE2-CD2 3.83Å; Y35-A376 HydrophobicContact CD2-CB 4.16Å; Y35-A376 HydrophobicContact CE2-CB 4.18Å |
| 36 | S | 94.1 | Very high | 91.9 | Very high | 3 Ų | 3 | 34.2 Ų | 34.2 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.5 | -39.1 | 180 | -54.9 | 0 | 0 | 0 | 0 | 111.9 | L32 F33 V39 L40 | L32-S36 WeakPolarHBondContact O-CB 3.19Å; L32-S36 PolarHBondContact O-N 3.47Å; L32-S36 PolarHBondContact O-OG 2.85Å; F33-S36 PolarHBondContact O-N 3.46Å; F33-S36 VanDerWaalsContact O-N 3.14Å; S36-V39 PolarHBondContact O-N 2.97Å; S36-L40 VanDerWaalsContact O-CB 3.31Å; S36-L40 WeakPolarHBondContact O-CB 3.39Å; S36-L40 PolarHBondContact O-N 3.01Å |
| 37 | V | 94.1 | Very high | 92 | Very high | 57 Ų | 57 | 33 Ų | 33 | 35% | 0.345 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -66.1 | -40.3 | 173.4 | 171.3 | 0 | 0 | 0 | 0 | 111 | F33 L34 Y35 L40 F41 | F33-V37 HydrophobicContact CD1-CG2 4.37Å; F33-V37 HydrophobicContact CD2-CG2 4.19Å; F33-V37 HydrophobicContact CE1-CG2 3.97Å; F33-V37 HydrophobicContact CE2-CG2 3.76Å; F33-V37 HydrophobicContact CG-CG2 4.48Å; F33-V37 HydrophobicContact CZ-CG2 3.65Å; F33-V37 WeakPolarHBondContact O-CG2 3.44Å; F33-V37 PolarHBondContact O-N 2.67Å; L34-V37 PolarHBondContact O-N 3.22Å; Y35-V37 PolarHBondContact O-N 3.5Å; V37-L40 PolarHBondContact O-N 3.46Å; V37-F41 WeakPolarHBondContact O-CB 3.1Å; V37-F41 PolarHBondContact O-N 2.86Å |
| 38 | L | 95.6 | Very high | 92 | Very high | 53 Ų | 53 | 27.4 Ų | 27.4 | 28% | 0.277 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -60.4 | -48.5 | 173.8 | 177.8 | 68.2 | 0 | 0 | 0 | 110.6 | L34 Y35 L40 F41 L42 L372 | L34-L38 WeakPolarHBondContact O-CB 3.46Å; L34-L38 PolarHBondContact O-N 3.06Å; Y35-L38 WeakPolarHBondContact O-CB 3.31Å; Y35-L38 PolarHBondContact O-N 3.14Å; L38-L40 VanDerWaalsContact C-N 3.33Å; L38-L40 PolarHBondContact O-N 2.99Å; L38-F41 PolarHBondContact O-N 3.15Å; L38-L42 HydrophobicContact CD1-CD1 4.42Å; L38-L42 HydrophobicContact CD1-CG 4.42Å; L38-L42 HydrophobicContact CG-CD1 4.17Å; L38-L42 WeakPolarHBondContact O-CB 3.41Å; L38-L42 VanDerWaalsContact O-CG 3.23Å; L38-L42 WeakPolarHBondContact O-CG 3.41Å; L38-L42 PolarHBondContact O-N 2.94Å; L38-L372 HydrophobicContact CD1-CD1 4.42Å |
| 39 | V | 95.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.6 | -44.9 | 176.6 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | Y35 S36 L42 Q43 A217 V218 V248 L373 | Y35-V39 HydrophobicContact CD1-CG2 4.26Å; Y35-V39 HydrophobicContact CE1-CG2 3.73Å; Y35-V39 HydrophobicContact CE2-CG2 4Å; Y35-V39 WeakPolarHBondContact O-CG2 3.45Å; Y35-V39 PolarHBondContact O-N 3.27Å; S36-V39 PolarHBondContact O-N 2.97Å; V39-L42 PolarHBondContact O-N 3.32Å; V39-Q43 WeakPolarHBondContact O-CB 3.36Å; V39-Q43 PolarHBondContact O-N 3.34Å; V39-A217 HydrophobicContact CB-CB 4.2Å; V39-A217 HydrophobicContact CG1-CB 3.7Å; V39-V218 HydrophobicContact CG1-CG2 3.88Å; V39-V248 HydrophobicContact CB-CG2 4.34Å; V39-V248 HydrophobicContact CG1-CB 4.41Å; V39-V248 HydrophobicContact CG1-CG1 3.98Å; V39-V248 HydrophobicContact CG1-CG2 3.53Å; V39-V248 HydrophobicContact CG2-CG1 4.19Å; V39-V248 HydrophobicContact CG2-CG2 3.77Å; V39-L373 HydrophobicContact CG2-CD2 3.87Å |
| 40 | L | 94 | Very high | 91.8 | Very high | 9 Ų | 9 | 30.6 Ų | 30.6 | 5% | 0.047 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.9 | -49.9 | 177.8 | -171.4 | 67 | 0 | 0 | 0 | 110.4 | S36 V37 L38 L42 Q43 Y44 L73 V76 L80 P221 | S36-L40 VanDerWaalsContact O-CB 3.31Å; S36-L40 WeakPolarHBondContact O-CB 3.39Å; S36-L40 PolarHBondContact O-N 3.01Å; V37-L40 PolarHBondContact O-N 3.46Å; L38-L40 VanDerWaalsContact C-N 3.33Å; L38-L40 PolarHBondContact O-N 2.99Å; L40-L42 VanDerWaalsContact C-N 3.34Å; L40-L42 PolarHBondContact O-N 3.45Å; L40-Q43 PolarHBondContact O-N 2.93Å; L40-Q43 VanDerWaalsContact O-N 3.12Å; L40-Y44 HydrophobicContact CD1-CD2 4.14Å; L40-Y44 HydrophobicContact CD1-CE2 3.75Å; L40-Y44 HydrophobicContact CG-CD2 4.07Å; L40-Y44 HydrophobicContact CG-CE2 3.98Å; L40-Y44 VanDerWaalsContact O-CD2 3.28Å; L40-Y44 WeakPolarHBondContact O-CD2 3.27Å; L40-Y44 PolarHBondContact O-N 2.97Å; L40-L73 HydrophobicContact CD2-CD1 3.59Å; L40-L73 HydrophobicContact CG-CD1 4.08Å; L40-V76 HydrophobicContact CD1-CG1 3.91Å; L40-V76 HydrophobicContact CD2-CG1 4.01Å; L40-L80 HydrophobicContact CD2-CD1 4.5Å; L40-P221 HydrophobicContact CD1-CG 3.57Å |
| 41 | F | 93.7 | Very high | 91.5 | Very high | 96 Ų | 96 | 34 Ų | 34 | 42% | 0.421 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -55.8 | -47.7 | 175.9 | 169 | -103.4 | 0 | 0 | 0 | 111.9 | V37 L38 Q43 Y44 L45 L63 | V37-F41 WeakPolarHBondContact O-CB 3.1Å; V37-F41 PolarHBondContact O-N 2.86Å; L38-F41 PolarHBondContact O-N 3.15Å; F41-Q43 VanDerWaalsContact C-N 3.33Å; F41-Q43 PolarHBondContact O-N 3.37Å; F41-Y44 PolarHBondContact O-N 2.93Å; F41-L45 HydrophobicContact CE1-CD1 3.82Å; F41-L45 HydrophobicContact CZ-CD1 3.81Å; F41-L45 WeakPolarHBondContact O-CB 3.45Å; F41-L45 PolarHBondContact O-N 3.36Å; F41-L63 HydrophobicContact CE2-CD1 4.12Å |
| 42 | L | 93.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.3 | -44.6 | 176.4 | -68.7 | 176.6 | 0 | 0 | 0 | 110.7 | L38 V39 L40 Y44 L45 N46 L372 L373 | L38-L42 HydrophobicContact CD1-CD1 4.42Å; L38-L42 HydrophobicContact CD1-CG 4.42Å; L38-L42 HydrophobicContact CG-CD1 4.17Å; L38-L42 WeakPolarHBondContact O-CB 3.41Å; L38-L42 VanDerWaalsContact O-CG 3.23Å; L38-L42 WeakPolarHBondContact O-CG 3.41Å; L38-L42 PolarHBondContact O-N 2.94Å; V39-L42 PolarHBondContact O-N 3.32Å; L40-L42 VanDerWaalsContact C-N 3.34Å; L40-L42 PolarHBondContact O-N 3.45Å; L42-Y44 VanDerWaalsContact C-N 3.33Å; L42-Y44 PolarHBondContact O-N 3.32Å; L42-L45 WeakPolarHBondContact O-CA 3.46Å; L42-L45 WeakPolarHBondContact O-CB 3.3Å; L42-L45 PolarHBondContact O-N 3.42Å; L42-L45 VanDerWaalsContact O-N 3.07Å; L42-N46 PolarHBondContact O-N 2.96Å; L42-N46 PolarHBondContact O-ND2 3.35Å; L42-L372 HydrophobicContact CD1-CB 4.26Å; L42-L372 HydrophobicContact CD2-CD1 3.85Å; L42-L373 HydrophobicContact CD1-CD1 4.25Å; L42-L373 HydrophobicContact CD1-CD2 4.08Å; L42-L373 HydrophobicContact CD1-CG 3.83Å |
| 43 | Q | 93.4 | Very high | 91 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.2 | -43 | 178.1 | -176.2 | 58.2 | 13.1 | 0 | 0 | 111.9 | V39 L40 F41 L45 N46 L47 P221 C222 L244 | V39-Q43 WeakPolarHBondContact O-CB 3.36Å; V39-Q43 PolarHBondContact O-N 3.34Å; L40-Q43 PolarHBondContact O-N 2.93Å; L40-Q43 VanDerWaalsContact O-N 3.12Å; F41-Q43 VanDerWaalsContact C-N 3.33Å; F41-Q43 PolarHBondContact O-N 3.37Å; Q43-L45 VanDerWaalsContact C-N 3.35Å; Q43-L45 PolarHBondContact O-N 3.21Å; Q43-N46 PolarHBondContact O-N 3.28Å; Q43-L47 HydrophobicContact CG-CD1 4.1Å; Q43-L47 WeakPolarHBondContact O-CB 3.35Å; Q43-L47 VanDerWaalsContact O-CG 3.29Å; Q43-L47 WeakPolarHBondContact O-CG 3.36Å; Q43-L47 PolarHBondContact O-N 3.13Å; Q43-P221 HydrophobicContact CG-CB 3.84Å; Q43-P221 HydrophobicContact CG-CG 4.14Å; Q43-C222 PolarHBondContact NE2-SG 3.13Å; Q43-L244 HydrophobicContact CB-CD2 4.43Å |
| 44 | Y | 91 | Very high | 90.6 | Very high | 9 Ų | 9 | 43.8 Ų | 43.8 | 4% | 0.035 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.9 | -38.5 | 173.2 | -85.4 | -86.3 | 0 | 0 | 0 | 112.5 | L40 F41 L42 N46 L47 Y48 L63 I68 L73 P221 | L40-Y44 HydrophobicContact CD1-CD2 4.14Å; L40-Y44 HydrophobicContact CD1-CE2 3.75Å; L40-Y44 HydrophobicContact CG-CD2 4.07Å; L40-Y44 HydrophobicContact CG-CE2 3.98Å; L40-Y44 VanDerWaalsContact O-CD2 3.28Å; L40-Y44 WeakPolarHBondContact O-CD2 3.27Å; L40-Y44 PolarHBondContact O-N 2.97Å; F41-Y44 PolarHBondContact O-N 2.93Å; L42-Y44 VanDerWaalsContact C-N 3.33Å; L42-Y44 PolarHBondContact O-N 3.32Å; Y44-N46 VanDerWaalsContact C-N 3.32Å; Y44-N46 PolarHBondContact O-N 2.91Å; Y44-L47 PolarHBondContact O-N 3.08Å; Y44-Y48 AromaticContact CD1-CD2 3.57Å; Y44-Y48 HydrophobicContact CD1-CD2 3.57Å; Y44-Y48 AromaticContact CD1-CE2 3.35Å; Y44-Y48 HydrophobicContact CD1-CE2 3.35Å; Y44-Y48 HydrophobicContact CE1-CD2 4.28Å; Y44-Y48 AromaticContact CE1-CE2 3.61Å; Y44-Y48 HydrophobicContact CE1-CE2 3.61Å; Y44-Y48 HydrophobicContact CG-CD2 4.44Å; Y44-Y48 HydrophobicContact CG-CE2 4.43Å; Y44-Y48 WeakPolarHBondContact O-CD2 3.4Å; Y44-Y48 PolarHBondContact O-N 3.27Å; Y44-L63 WeakPolarHBondContact O-CD2 3.48Å; Y44-I68 HydrophobicContact CD1-CB 4.46Å; Y44-I68 HydrophobicContact CD1-CD1 3.99Å; Y44-I68 HydrophobicContact CD1-CG1 3.9Å; Y44-I68 HydrophobicContact CD1-CG2 3.95Å; Y44-I68 HydrophobicContact CE1-CB 4.41Å; Y44-I68 HydrophobicContact CE1-CG1 4.29Å; Y44-I68 HydrophobicContact CE1-CG2 3.69Å; Y44-L73 HydrophobicContact CD2-CD1 4.27Å; Y44-L73 HydrophobicContact CE2-CD1 3.74Å; Y44-P221 HydrophobicContact CD2-CB 4.45Å; Y44-P221 HydrophobicContact CD2-CG 4.44Å; Y44-P221 HydrophobicContact CE2-CB 3.98Å; Y44-P221 HydrophobicContact CE2-CG 3.83Å |
| 45 | L | 90.8 | Very high | 89.7 | Confident | 11 Ų | 11 | 44.1 Ų | 44.1 | 6% | 0.058 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.2 | -43.1 | 174.3 | -162.9 | 160.5 | 0 | 0 | 0 | 111.5 | F41 L42 Q43 K49 L63 W364 Q365 | F41-L45 HydrophobicContact CE1-CD1 3.82Å; F41-L45 HydrophobicContact CZ-CD1 3.81Å; F41-L45 WeakPolarHBondContact O-CB 3.45Å; F41-L45 PolarHBondContact O-N 3.36Å; L42-L45 WeakPolarHBondContact O-CA 3.46Å; L42-L45 WeakPolarHBondContact O-CB 3.3Å; L42-L45 PolarHBondContact O-N 3.42Å; L42-L45 VanDerWaalsContact O-N 3.07Å; Q43-L45 VanDerWaalsContact C-N 3.35Å; Q43-L45 PolarHBondContact O-N 3.21Å; L45-K49 WeakPolarHBondContact O-CA 3.27Å; L45-K49 WeakPolarHBondContact O-CB 3.35Å; L45-K49 PolarHBondContact O-N 2.88Å; L45-L63 HydrophobicContact CB-CD2 4.37Å; L45-W364 HydrophobicContact CD2-CH2 3.55Å; L45-W364 HydrophobicContact CD2-CZ2 4.23Å; L45-W364 HydrophobicContact CD2-CZ3 3.75Å; L45-W364 HydrophobicContact CG-CH2 4.18Å; L45-Q365 HydrophobicContact CD2-CB 3.32Å; L45-Q365 HydrophobicContact CD2-CG 4.47Å |
| 46 | N | 88.3 | Confident | 88.9 | Confident | 16 Ų | 16 | 50.7 Ų | 50.7 | 9% | 0.086 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -72.8 | -34.5 | 178.4 | -66.2 | -66.9 | 0 | 0 | 0 | 113.4 | L42 Q43 Y44 Y240 Q365 H366 S369 | L42-N46 PolarHBondContact O-N 2.96Å; L42-N46 PolarHBondContact O-ND2 3.35Å; Q43-N46 PolarHBondContact O-N 3.28Å; Y44-N46 VanDerWaalsContact C-N 3.32Å; Y44-N46 PolarHBondContact O-N 2.91Å; N46-Y240 HydrophobicContact CB-CD1 4.43Å; N46-Y240 HydrophobicContact CB-CE1 3.68Å; N46-Y240 VanDerWaalsContact CG-CZ 3.45Å; N46-Y240 VanDerWaalsContact CG-OH 3.26Å; N46-Y240 PolarHBondContact ND2-OH 2.74Å; N46-Q365 HydrophobicContact CB-CG 4.49Å; N46-Q365 WeakPolarHBondContact OD1-CB 3.38Å; N46-Q365 WeakPolarHBondContact OD1-CG 3.4Å; N46-Q365 PolarHBondContact OD1-O 2.71Å; N46-H366 PolarHBondContact OD1-CD2 2.85Å; N46-S369 PolarHBondContact ND2-OG 3.45Å; N46-S369 PolarHBondContact OD1-OG 3Å |
| 47 | L | 87.6 | Confident | 88.2 | Confident | 27 Ų | 27 | 52 Ų | 52 | 14% | 0.141 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -72.8 | -48.3 | 178 | -72.2 | 171.9 | 0 | 0 | 0 | 112 | Q43 Y44 P221 A225 Q229 | Q43-L47 HydrophobicContact CG-CD1 4.1Å; Q43-L47 WeakPolarHBondContact O-CB 3.35Å; Q43-L47 VanDerWaalsContact O-CG 3.29Å; Q43-L47 WeakPolarHBondContact O-CG 3.36Å; Q43-L47 PolarHBondContact O-N 3.13Å; Y44-L47 PolarHBondContact O-N 3.08Å; L47-P221 HydrophobicContact CD1-CB 3.75Å; L47-P221 WeakPolarHBondContact CD1-O 3.35Å; L47-A225 HydrophobicContact CD1-CB 4.36Å; L47-A225 HydrophobicContact CD2-CB 3.84Å; L47-Q229 PolarHBondContact O-OE1 3.13Å |
| 48 | Y | 88 | Confident | 87.4 | Confident | 6 Ų | 6 | 60.3 Ų | 60.3 | 2% | 0.024 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -107.3 | 26.5 | -169.3 | -57.6 | -71.6 | 0 | 0 | 0 | 113.6 | Y44 K64 M67 I68 P226 | Y44-Y48 AromaticContact CD1-CD2 3.57Å; Y44-Y48 HydrophobicContact CD1-CD2 3.57Å; Y44-Y48 AromaticContact CD1-CE2 3.35Å; Y44-Y48 HydrophobicContact CD1-CE2 3.35Å; Y44-Y48 HydrophobicContact CE1-CD2 4.28Å; Y44-Y48 AromaticContact CE1-CE2 3.61Å; Y44-Y48 HydrophobicContact CE1-CE2 3.61Å; Y44-Y48 HydrophobicContact CG-CD2 4.44Å; Y44-Y48 HydrophobicContact CG-CE2 4.43Å; Y44-Y48 WeakPolarHBondContact O-CD2 3.4Å; Y44-Y48 PolarHBondContact O-N 3.27Å; Y48-K64 PolarHBondContact O-N 3.48Å; Y48-M67 HydrophobicContact CD1-CB 3.46Å; Y48-M67 VanDerWaalsContact CD1-CB 3.46Å; Y48-M67 HydrophobicContact CD1-CG 4.36Å; Y48-M67 HydrophobicContact CE1-CB 3.49Å; Y48-M67 VanDerWaalsContact CE1-CB 3.49Å; Y48-M67 HydrophobicContact CG-CB 4.44Å; Y48-I68 HydrophobicContact CD2-CD1 4.32Å; Y48-I68 HydrophobicContact CD2-CG1 3.77Å; Y48-I68 HydrophobicContact CE2-CG1 4.06Å; Y48-I68 HydrophobicContact CG-CG1 4.16Å; Y48-P226 HydrophobicContact CE1-CG 4.48Å |
| 49 | K | 88.4 | Confident | 86.7 | Confident | 64 Ų | 64 | 60.4 Ų | 60.4 | 28% | 0.278 | 29% | 0.291 | S | S | . | . | B | Isolated β-bridge | trans | -51.8 | 145.5 | 179.4 | 67.3 | -178.9 | -176.6 | 175.6 | 0 | 113 | L45 E363 W364 Q365 | L45-K49 WeakPolarHBondContact O-CA 3.27Å; L45-K49 WeakPolarHBondContact O-CB 3.35Å; L45-K49 PolarHBondContact O-N 2.88Å; K49-E363 IonicContact NZ-OE1 3.62Å; K49-E363 PolarHBondContact NZ-OE1 3.25Å; K49-E363 IonicContact NZ-OE2 3.26Å; K49-E363 PolarHBondContact NZ-OE2 3.44Å; K49-W364 HydrophobicContact CB-CZ2 4.19Å; K49-Q365 HydrophobicContact CB-CG 4.42Å; K49-Q365 HydrophobicContact CD-CG 3.84Å |
| 50 | T | 86.2 | Confident | 86 | Confident | 8 Ų | 8 | 68.2 Ų | 68.2 | 5% | 0.049 | 33% | 0.327 | C | S | . | . | trans | -124 | 166.8 | 167.9 | 64.1 | 0 | 0 | 0 | 0 | 110.5 | W52 W53 H61 A62 K64 | T50-W52 VanDerWaalsContact C-N 3.34Å; T50-W52 PolarHBondContact O-N 3.34Å; T50-W53 WeakPolarHBondContact O-CZ3 3.29Å; T50-H61 WeakPolarHBondContact CB-O 3.45Å; T50-H61 PolarHBondContact OG1-O 3.45Å; T50-A62 PolarHBondContact N-O 3.35Å; T50-A62 VanDerWaalsContact N-O 3.13Å; T50-A62 VanDerWaalsContact OG1-CA 3.22Å; T50-A62 WeakPolarHBondContact OG1-CA 3.34Å; T50-A62 PolarHBondContact OG1-O 2.86Å; T50-A62 VanDerWaalsContact OG1-O 3.06Å; T50-K64 HydrophobicContact CG2-CB 4.49Å; T50-K64 HydrophobicContact CG2-CD 4.31Å; T50-K64 HydrophobicContact CG2-CG 3.38Å | ||
| 51 | L | 85.3 | Confident | 85.6 | Confident | 102 Ų | 102 | 73.5 Ų | 73.5 | 53% | 0.534 | 35% | 0.351 | S | S | . | . | trans | -99.1 | 54.7 | 173 | -62.9 | 178.4 | 0 | 0 | 0 | 110.2 | W53 L54 S57 | L51-W53 VanDerWaalsContact C-N 3.26Å; L51-W53 HydrophobicContact CD2-CH2 3.39Å; L51-W53 HydrophobicContact CD2-CZ2 3.84Å; L51-W53 HydrophobicContact CD2-CZ3 4.19Å; L51-W53 PolarHBondContact O-N 3.24Å; L51-L54 HydrophobicContact CB-CD1 3.86Å; L51-L54 HydrophobicContact CD1-CD1 4.3Å; L51-L54 HydrophobicContact CD2-CD1 4.48Å; L51-L54 HydrophobicContact CG-CD1 4.44Å; L51-L54 PolarHBondContact O-N 3.31Å; L51-S57 WeakPolarHBondContact O-CB 3.48Å; L51-S57 PolarHBondContact O-OG 2.66Å | ||
| 52 | W | 86.2 | Confident | 85.3 | Confident | 120 Ų | 120 | 70.4 Ų | 70.4 | 46% | 0.455 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -23.4 | -169.4 | 66.8 | -83.1 | 0 | 0 | 0 | 114.8 | T50 T59 A62 | T50-W52 VanDerWaalsContact C-N 3.34Å; T50-W52 PolarHBondContact O-N 3.34Å; W52-T59 WeakPolarHBondContact CA-O 3.3Å; W52-A62 HydrophobicContact CG-CB 4.12Å |
| 53 | W | 83.7 | Confident | 85 | Confident | 120 Ų | 120 | 71.2 Ų | 71.2 | 46% | 0.455 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -2.3 | -178 | 70 | 90.3 | 0 | 0 | 0 | 113.7 | T50 L51 W364 | T50-W53 WeakPolarHBondContact O-CZ3 3.29Å; L51-W53 VanDerWaalsContact C-N 3.26Å; L51-W53 HydrophobicContact CD2-CH2 3.39Å; L51-W53 HydrophobicContact CD2-CZ2 3.84Å; L51-W53 HydrophobicContact CD2-CZ3 4.19Å; L51-W53 PolarHBondContact O-N 3.24Å; W53-W364 HydrophobicContact CH2-CB 4.42Å; W53-W364 AromaticContact CH2-CD1 2.96Å; W53-W364 HydrophobicContact CH2-CD2 4.12Å; W53-W364 AromaticContact CH2-CE2 3.85Å; W53-W364 AromaticContact CH2-CG 3.59Å; W53-W364 HydrophobicContact CH2-CG 3.59Å; W53-W364 AromaticContact CH2-NE1 3.11Å; W53-W364 AromaticContact CZ2-CD1 3.86Å; W53-W364 HydrophobicContact CZ2-CG 4.32Å; W53-W364 AromaticContact CZ3-CD1 3.41Å; W53-W364 VanDerWaalsContact CZ3-CD1 3.41Å; W53-W364 AromaticContact CZ3-CD2 3.77Å; W53-W364 HydrophobicContact CZ3-CD2 3.77Å; W53-W364 AromaticContact CZ3-CE2 3.41Å; W53-W364 VanDerWaalsContact CZ3-CE2 3.41Å; W53-W364 AromaticContact CZ3-CG 3.74Å; W53-W364 HydrophobicContact CZ3-CG 3.74Å; W53-W364 HydrophobicContact CZ3-CZ2 4.07Å; W53-W364 AromaticContact CZ3-NE1 3.17Å |
| 54 | L | 84 | Confident | 84.7 | Confident | 85 Ų | 85 | 74.6 Ų | 74.6 | 45% | 0.445 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -77.4 | 138.5 | 175.3 | -97.4 | 106.6 | 0 | 0 | 0 | 111.1 | L51 N56 S57 | L51-L54 HydrophobicContact CB-CD1 3.86Å; L51-L54 HydrophobicContact CD1-CD1 4.3Å; L51-L54 HydrophobicContact CD2-CD1 4.48Å; L51-L54 HydrophobicContact CG-CD1 4.44Å; L51-L54 PolarHBondContact O-N 3.31Å; L54-N56 PolarHBondContact O-N 3.48Å; L54-S57 PolarHBondContact O-N 3.09Å; L54-S57 VanDerWaalsContact O-N 3.12Å |
| 55 | P | 75.4 | Confident | 84.5 | Confident | 125 Ų | 125 | 80 Ų | 80 | 81% | 0.812 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -4.5 | -171 | 21.5 | -30.7 | 0 | 0 | 0 | 116 | ||
| 56 | N | 78.6 | Confident | 84.2 | Confident | 153 Ų | 153 | 86.8 Ų | 86.8 | 82% | 0.818 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.5 | 30.4 | 175.4 | -72.3 | -38 | 0 | 0 | 0 | 112.6 | L54 | L54-N56 PolarHBondContact O-N 3.48Š|
| 57 | S | 79.1 | Confident | 84 | Confident | 29 Ų | 29 | 89.3 Ų | 89.3 | 20% | 0.203 | 43% | 0.43 | C | S | . | . | trans | -77.2 | 135.6 | 179.3 | 110.6 | 0 | 0 | 0 | 0 | 111.3 | L51 L54 T59 | L51-S57 WeakPolarHBondContact O-CB 3.48Å; L51-S57 PolarHBondContact O-OG 2.66Å; L54-S57 PolarHBondContact O-N 3.09Å; L54-S57 VanDerWaalsContact O-N 3.12Å; S57-T59 PolarHBondContact O-N 2.83Å; S57-T59 VanDerWaalsContact O-N 3.15Å; S57-T59 PolarHBondContact OG-N 3.37Å; S57-T59 PolarHBondContact OG-O 2.88Å | ||
| 58 | Y | 78 | Confident | 84 | Confident | 233 Ų | 233 | 89.3 Ų | 89.3 | 91% | 0.914 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -67.7 | -6.3 | 174.2 | -63.9 | -81 | 0 | 0 | 0 | 113.7 | ||
| 59 | T | 79 | Confident | 84 | Confident | 55 Ų | 55 | 91.9 Ų | 91.9 | 34% | 0.337 | 44% | 0.444 | S | S | . | . | trans | -127.6 | 109 | -172.8 | 55.2 | 0 | 0 | 0 | 0 | 111.1 | W52 S57 H61 | W52-T59 WeakPolarHBondContact CA-O 3.3Å; S57-T59 PolarHBondContact O-N 2.83Å; S57-T59 VanDerWaalsContact O-N 3.15Å; S57-T59 PolarHBondContact OG-N 3.37Å; S57-T59 PolarHBondContact OG-O 2.88Å; T59-H61 PolarHBondContact O-N 3.46Å | ||
| 60 | H | 81.8 | Confident | 84 | Confident | 164 Ų | 164 | 94.9 Ų | 94.9 | 76% | 0.759 | 46% | 0.462 | S | S | * | . | trans | -75.5 | -6.9 | 178.9 | -65.6 | -77.2 | 0 | 0 | 0 | 114.7 | ||||
| 61 | H | 85.9 | Confident | 84.1 | Confident | 119 Ų | 119 | 98.8 Ų | 98.8 | 55% | 0.551 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -108.6 | 146.4 | -178.8 | -59.5 | -58 | 0 | 0 | 0 | 111.6 | T50 T59 L63 F65 | T50-H61 WeakPolarHBondContact CB-O 3.45Å; T50-H61 PolarHBondContact OG1-O 3.45Å; T59-H61 PolarHBondContact O-N 3.46Å; H61-L63 PolarHBondContact O-N 3.5Å; H61-F65 HydrophobicContact CB-CD2 4.29Å; H61-F65 HydrophobicContact CB-CE2 3.75Å; H61-F65 AromaticContact CG-CE2 3.85Å |
| 62 | A | 86.4 | Confident | 84 | Confident | 31 Ų | 31 | 94 Ų | 94 | 26% | 0.256 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -66.1 | -19.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115 | T50 W52 W364 | T50-A62 PolarHBondContact N-O 3.35Å; T50-A62 VanDerWaalsContact N-O 3.13Å; T50-A62 VanDerWaalsContact OG1-CA 3.22Å; T50-A62 WeakPolarHBondContact OG1-CA 3.34Å; T50-A62 PolarHBondContact OG1-O 2.86Å; T50-A62 VanDerWaalsContact OG1-O 3.06Å; W52-A62 HydrophobicContact CG-CB 4.12Å; A62-W364 HydrophobicContact CB-CH2 4.11Å |
| 63 | L | 87.7 | Confident | 84.2 | Confident | 17 Ų | 17 | 90.9 Ų | 90.9 | 9% | 0.089 | 44% | 0.444 | C | S | . | . | B | Isolated β-bridge | trans | -125.9 | 139.5 | -175 | -82.2 | 169.9 | 0 | 0 | 0 | 110.7 | F41 Y44 L45 H61 F65 | F41-L63 HydrophobicContact CE2-CD1 4.12Å; Y44-L63 WeakPolarHBondContact O-CD2 3.48Å; L45-L63 HydrophobicContact CB-CD2 4.37Å; H61-L63 PolarHBondContact O-N 3.5Å; L63-F65 VanDerWaalsContact C-N 3.33Å; L63-F65 HydrophobicContact CB-CD1 4.22Å; L63-F65 HydrophobicContact CB-CE1 3.88Å; L63-F65 HydrophobicContact CB-CE2 4.41Å; L63-F65 HydrophobicContact CB-CZ 3.99Å; L63-F65 HydrophobicContact CD1-CE1 4.1Å; L63-F65 PolarHBondContact O-N 2.88Å; L63-F65 VanDerWaalsContact O-N 3.08Å |
| 64 | K | 87.5 | Confident | 84.4 | Confident | 72 Ų | 72 | 87.1 Ų | 87.1 | 31% | 0.313 | 44% | 0.435 | S | S | . | . | trans | -80.2 | 79.2 | 168.9 | -61.8 | -173.1 | -177.6 | 179.9 | 0 | 110.5 | Y48 T50 H66 M67 | Y48-K64 PolarHBondContact O-N 3.48Å; T50-K64 HydrophobicContact CG2-CB 4.49Å; T50-K64 HydrophobicContact CG2-CD 4.31Å; T50-K64 HydrophobicContact CG2-CG 3.38Å; K64-H66 PolarHBondContact O-N 3.49Å; K64-H66 VanDerWaalsContact O-N 3.14Å; K64-M67 HydrophobicContact CB-CB 4.48Å; K64-M67 HydrophobicContact CB-CG 4.05Å; K64-M67 PolarHBondContact O-N 3.37Å | ||
| 65 | F | 86 | Confident | 84.6 | Confident | 122 Ų | 122 | 83.2 Ų | 83.2 | 54% | 0.535 | 42% | 0.415 | S | S | . | . | G | 310 helix | trans | -54.8 | -34.1 | -175.9 | -63.8 | -66.9 | 0 | 0 | 0 | 114.5 | H61 L63 M67 I68 | H61-F65 HydrophobicContact CB-CD2 4.29Å; H61-F65 HydrophobicContact CB-CE2 3.75Å; H61-F65 AromaticContact CG-CE2 3.85Å; L63-F65 VanDerWaalsContact C-N 3.33Å; L63-F65 HydrophobicContact CB-CD1 4.22Å; L63-F65 HydrophobicContact CB-CE1 3.88Å; L63-F65 HydrophobicContact CB-CE2 4.41Å; L63-F65 HydrophobicContact CB-CZ 3.99Å; L63-F65 HydrophobicContact CD1-CE1 4.1Å; L63-F65 PolarHBondContact O-N 2.88Å; L63-F65 VanDerWaalsContact O-N 3.08Å; F65-M67 PolarHBondContact O-N 3.24Å; F65-M67 VanDerWaalsContact O-N 3.12Å; F65-I68 HydrophobicContact CD1-CD1 4.37Å; F65-I68 PolarHBondContact O-N 3.46Å; F65-I68 VanDerWaalsContact O-N 3.12Å |
| 66 | H | 85 | Confident | 85.2 | Confident | 154 Ų | 154 | 77.3 Ų | 77.3 | 71% | 0.713 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -65.2 | -14.8 | 179.6 | 68 | -89.6 | 0 | 0 | 0 | 114.4 | K64 | K64-H66 PolarHBondContact O-N 3.49Å; K64-H66 VanDerWaalsContact O-N 3.14Å |
| 67 | M | 85.2 | Confident | 85.7 | Confident | 70 Ų | 70 | 71 Ų | 71 | 35% | 0.345 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -94.9 | -9.5 | 178.8 | -60.2 | -71 | -94.3 | 0 | 0 | 112.5 | Y48 K64 F65 P226 | Y48-M67 HydrophobicContact CD1-CB 3.46Å; Y48-M67 VanDerWaalsContact CD1-CB 3.46Å; Y48-M67 HydrophobicContact CD1-CG 4.36Å; Y48-M67 HydrophobicContact CE1-CB 3.49Å; Y48-M67 VanDerWaalsContact CE1-CB 3.49Å; Y48-M67 HydrophobicContact CG-CB 4.44Å; K64-M67 HydrophobicContact CB-CB 4.48Å; K64-M67 HydrophobicContact CB-CG 4.05Å; K64-M67 PolarHBondContact O-N 3.37Å; F65-M67 PolarHBondContact O-N 3.24Å; F65-M67 VanDerWaalsContact O-N 3.12Å; M67-P226 HydrophobicContact CE-CB 4.4Å; M67-P226 HydrophobicContact CE-CG 3.57Å |
| 68 | I | 87.5 | Confident | 86 | Confident | 27 Ų | 27 | 71.2 Ų | 71.2 | 14% | 0.138 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -85.4 | 119 | -177.6 | -61.6 | -179.1 | 0 | 0 | 0 | 108.4 | Y44 Y48 F65 L70 L73 | Y44-I68 HydrophobicContact CD1-CB 4.46Å; Y44-I68 HydrophobicContact CD1-CD1 3.99Å; Y44-I68 HydrophobicContact CD1-CG1 3.9Å; Y44-I68 HydrophobicContact CD1-CG2 3.95Å; Y44-I68 HydrophobicContact CE1-CB 4.41Å; Y44-I68 HydrophobicContact CE1-CG1 4.29Å; Y44-I68 HydrophobicContact CE1-CG2 3.69Å; Y48-I68 HydrophobicContact CD2-CD1 4.32Å; Y48-I68 HydrophobicContact CD2-CG1 3.77Å; Y48-I68 HydrophobicContact CE2-CG1 4.06Å; Y48-I68 HydrophobicContact CG-CG1 4.16Å; F65-I68 HydrophobicContact CD1-CD1 4.37Å; F65-I68 PolarHBondContact O-N 3.46Å; F65-I68 VanDerWaalsContact O-N 3.12Å; I68-L70 PolarHBondContact O-N 2.88Å; I68-L73 HydrophobicContact CG2-CD2 4.39Å |
| 69 | D | 87.4 | Confident | 86.3 | Confident | 60 Ų | 60 | 60.8 Ų | 60.8 | 32% | 0.321 | 31% | 0.307 | S | S | . | . | trans | -75.1 | 106.6 | 170.5 | -170.5 | -28 | 0 | 0 | 0 | 110 | Y71 V72 L73 | D69-Y71 VanDerWaalsContact C-N 3.26Å; D69-Y71 PolarHBondContact O-N 3.29Å; D69-Y71 WeakPolarHBondContact OD1-CA 3.49Å; D69-Y71 VanDerWaalsContact OD1-CB 3.3Å; D69-Y71 WeakPolarHBondContact OD1-CB 3.44Å; D69-Y71 WeakPolarHBondContact OD1-CD2 3.36Å; D69-Y71 PolarHBondContact OD1-N 3.44Å; D69-V72 HydrophobicContact CB-CB 4.14Å; D69-V72 HydrophobicContact CB-CG2 3.95Å; D69-V72 PolarHBondContact O-N 3.47Å; D69-V72 PolarHBondContact OD1-N 2.66Å; D69-L73 PolarHBondContact O-N 3.3Å | ||
| 70 | L | 88.4 | Confident | 86.6 | Confident | 127 Ų | 127 | 59.4 Ų | 59.4 | 67% | 0.665 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -65.4 | -27.7 | 179.4 | -70.9 | 168.9 | 0 | 0 | 0 | 112.7 | I68 L73 S74 | I68-L70 PolarHBondContact O-N 2.88Å; L70-L73 HydrophobicContact CD2-CD2 4.47Å; L70-S74 VanDerWaalsContact O-CB 3.25Å; L70-S74 WeakPolarHBondContact O-CB 3.5Å; L70-S74 PolarHBondContact O-N 2.75Å |
| 71 | Y | 87.2 | Confident | 86.8 | Confident | 89 Ų | 89 | 51.8 Ų | 51.8 | 35% | 0.349 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -72.8 | -42.6 | 178.4 | -57 | -75.8 | 0 | 0 | 0 | 110.8 | D69 S74 C75 F128 H132 | D69-Y71 VanDerWaalsContact C-N 3.26Å; D69-Y71 PolarHBondContact O-N 3.29Å; D69-Y71 WeakPolarHBondContact OD1-CA 3.49Å; D69-Y71 VanDerWaalsContact OD1-CB 3.3Å; D69-Y71 WeakPolarHBondContact OD1-CB 3.44Å; D69-Y71 WeakPolarHBondContact OD1-CD2 3.36Å; D69-Y71 PolarHBondContact OD1-N 3.44Å; Y71-S74 PolarHBondContact O-N 3.35Å; Y71-C75 VanDerWaalsContact O-CB 3.27Å; Y71-C75 WeakPolarHBondContact O-CB 3.17Å; Y71-C75 PolarHBondContact O-N 2.87Å; Y71-F128 HydrophobicContact CD1-CE1 4.37Å; Y71-F128 HydrophobicContact CE1-CD1 4.32Å; Y71-F128 AromaticContact CE1-CE1 3.66Å; Y71-F128 HydrophobicContact CE1-CE1 3.66Å; Y71-F128 HydrophobicContact CE1-CZ 4.19Å; Y71-H132 HydrophobicContact CD1-CB 3.88Å; Y71-H132 HydrophobicContact CD2-CB 4.05Å; Y71-H132 HydrophobicContact CE1-CB 4.19Å; Y71-H132 AromaticContact CE1-CD2 3.64Å; Y71-H132 AromaticContact CE1-CG 3.91Å; Y71-H132 HydrophobicContact CE2-CB 4.37Å; Y71-H132 HydrophobicContact CG-CB 3.79Å; Y71-H132 AromaticContact CZ-CD2 3.99Å |
| 72 | V | 84.9 | Confident | 86.7 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.006 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.8 | -45.9 | 173.3 | 177.2 | 0 | 0 | 0 | 0 | 110.2 | D69 S74 C75 V76 V133 I220 F224 | D69-V72 HydrophobicContact CB-CB 4.14Å; D69-V72 HydrophobicContact CB-CG2 3.95Å; D69-V72 PolarHBondContact O-N 3.47Å; D69-V72 PolarHBondContact OD1-N 2.66Å; V72-S74 PolarHBondContact O-N 2.84Å; V72-C75 PolarHBondContact O-N 2.91Å; V72-V76 HydrophobicContact CG1-CG2 4.24Å; V72-V76 WeakPolarHBondContact O-CB 3.45Å; V72-V76 WeakPolarHBondContact O-CG2 3.41Å; V72-V76 PolarHBondContact O-N 3.46Å; V72-V133 HydrophobicContact CB-CG2 4.5Å; V72-V133 HydrophobicContact CG2-CG1 4.03Å; V72-V133 HydrophobicContact CG2-CG2 3.65Å; V72-I220 HydrophobicContact CG1-CG2 4.03Å; V72-F224 HydrophobicContact CG1-CD2 3.84Å; V72-F224 HydrophobicContact CG1-CE2 3.99Å; V72-F224 HydrophobicContact CG1-CG 4.35Å; V72-F224 HydrophobicContact CG2-CD1 3.97Å; V72-F224 HydrophobicContact CG2-CD2 4.22Å; V72-F224 HydrophobicContact CG2-CE1 3.91Å; V72-F224 HydrophobicContact CG2-CE2 4.17Å; V72-F224 HydrophobicContact CG2-CG 4.13Å; V72-F224 HydrophobicContact CG2-CZ 4Å |
| 73 | L | 89.5 | Confident | 86.4 | Confident | 56 Ų | 56 | 48.1 Ų | 48.1 | 29% | 0.293 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -59.5 | -45.7 | 178.8 | -177.8 | 64.4 | 0 | 0 | 0 | 111.9 | L40 Y44 I68 D69 L70 G77 | L40-L73 HydrophobicContact CD2-CD1 3.59Å; L40-L73 HydrophobicContact CG-CD1 4.08Å; Y44-L73 HydrophobicContact CD2-CD1 4.27Å; Y44-L73 HydrophobicContact CE2-CD1 3.74Å; I68-L73 HydrophobicContact CG2-CD2 4.39Å; D69-L73 PolarHBondContact O-N 3.3Å; L70-L73 HydrophobicContact CD2-CD2 4.47Å; L73-G77 PolarHBondContact O-N 3.01Å |
| 74 | S | 88.7 | Confident | 86.4 | Confident | 40 Ų | 40 | 47.9 Ų | 47.9 | 28% | 0.28 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.4 | -48.8 | 175.6 | 176.5 | 0 | 0 | 0 | 0 | 111.6 | L70 Y71 V72 V76 G77 L78 S129 | L70-S74 VanDerWaalsContact O-CB 3.25Å; L70-S74 WeakPolarHBondContact O-CB 3.5Å; L70-S74 PolarHBondContact O-N 2.75Å; Y71-S74 PolarHBondContact O-N 3.35Å; V72-S74 PolarHBondContact O-N 2.84Å; S74-V76 PolarHBondContact O-N 3.14Å; S74-G77 PolarHBondContact O-N 2.86Å; S74-L78 WeakPolarHBondContact O-CG 3.46Å; S74-L78 PolarHBondContact O-N 3.44Å; S74-S129 PolarHBondContact OG-OG 3.3Å; S74-S129 VanDerWaalsContact OG-OG 3.06Å |
| 75 | C | 86.4 | Confident | 86.3 | Confident | 3 Ų | 3 | 46.5 Ų | 46.5 | 2% | 0.02 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.4 | -49.9 | 179.8 | -175.3 | 0 | 0 | 0 | 0 | 111.9 | Y71 V72 G77 L78 I79 F126 | Y71-C75 VanDerWaalsContact O-CB 3.27Å; Y71-C75 WeakPolarHBondContact O-CB 3.17Å; Y71-C75 PolarHBondContact O-N 2.87Å; V72-C75 PolarHBondContact O-N 2.91Å; C75-G77 PolarHBondContact O-N 3.33Å; C75-L78 PolarHBondContact O-N 2.98Å; C75-I79 VanDerWaalsContact O-CG1 3.31Å; C75-I79 WeakPolarHBondContact O-CG1 3.24Å; C75-I79 PolarHBondContact O-N 3.5Å; C75-F126 WeakPolarHBondContact SG-CE2 3.45Å |
| 76 | V | 88.2 | Confident | 86 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.4 | -43 | 177 | 171.1 | 0 | 0 | 0 | 0 | 111.2 | L40 V72 S74 L78 I79 L80 L142 Y216 I220 | L40-V76 HydrophobicContact CD1-CG1 3.91Å; L40-V76 HydrophobicContact CD2-CG1 4.01Å; V72-V76 HydrophobicContact CG1-CG2 4.24Å; V72-V76 WeakPolarHBondContact O-CB 3.45Å; V72-V76 WeakPolarHBondContact O-CG2 3.41Å; V72-V76 PolarHBondContact O-N 3.46Å; S74-V76 PolarHBondContact O-N 3.14Å; V76-L78 PolarHBondContact O-N 3.03Å; V76-I79 PolarHBondContact O-N 3.12Å; V76-L80 HydrophobicContact CG1-CD1 3.78Å; V76-L80 HydrophobicContact CG1-CG 4.34Å; V76-L80 WeakPolarHBondContact O-CB 3.35Å; V76-L80 WeakPolarHBondContact O-CG 3.44Å; V76-L80 PolarHBondContact O-N 3.12Å; V76-L142 HydrophobicContact CG2-CD2 4.41Å; V76-Y216 VanDerWaalsContact CG1-O 3.29Å; V76-Y216 WeakPolarHBondContact CG1-O 3.42Å; V76-I220 HydrophobicContact CG2-CB 4.25Å; V76-I220 HydrophobicContact CG2-CG2 3.56Å |
| 77 | G | 89.1 | Confident | 85.9 | Confident | 20 Ų | 20 | 37.3 Ų | 37.3 | 21% | 0.206 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.9 | -43 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | L73 S74 C75 G81 | L73-G77 PolarHBondContact O-N 3.01Å; S74-G77 PolarHBondContact O-N 2.86Å; C75-G77 PolarHBondContact O-N 3.33Å; G77-G81 PolarHBondContact O-N 2.86Å |
| 78 | L | 86.8 | Confident | 85.8 | Confident | 35 Ų | 35 | 39 Ų | 39 | 18% | 0.183 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.7 | -39.3 | 176.7 | -71.5 | 175.6 | 0 | 0 | 0 | 112.3 | S74 C75 V76 G81 R82 I85 I122 F126 | S74-L78 WeakPolarHBondContact O-CG 3.46Å; S74-L78 PolarHBondContact O-N 3.44Å; C75-L78 PolarHBondContact O-N 2.98Å; V76-L78 PolarHBondContact O-N 3.03Å; L78-G81 CarbonylContact O-C 3.53Å; L78-G81 PolarHBondContact O-N 3.07Å; L78-R82 PolarHBondContact O-N 3.05Å; L78-I85 HydrophobicContact CD2-CD1 4.36Å; L78-I122 HydrophobicContact CD2-CG2 4.32Å; L78-F126 HydrophobicContact CB-CD2 4.11Å; L78-F126 HydrophobicContact CD1-CB 3.91Å; L78-F126 HydrophobicContact CD1-CD2 4.13Å |
| 79 | I | 83.7 | Confident | 85.5 | Confident | 14 Ų | 14 | 38.5 Ų | 38.5 | 7% | 0.072 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.9 | -47 | 176.6 | -68 | 167.4 | 0 | 0 | 0 | 110.7 | C75 V76 G81 R82 F126 Y216 | C75-I79 VanDerWaalsContact O-CG1 3.31Å; C75-I79 WeakPolarHBondContact O-CG1 3.24Å; C75-I79 PolarHBondContact O-N 3.5Å; V76-I79 PolarHBondContact O-N 3.12Å; I79-G81 VanDerWaalsContact C-N 3.3Å; I79-G81 PolarHBondContact O-N 3.5Å; I79-R82 WeakPolarHBondContact O-CB 3.39Å; I79-R82 WeakPolarHBondContact O-CD 3.42Å; I79-R82 VanDerWaalsContact O-CG 3.29Å; I79-R82 WeakPolarHBondContact O-CG 3.46Å; I79-R82 PolarHBondContact O-N 3.09Å; I79-F126 HydrophobicContact CD1-CE2 4Å; I79-F126 HydrophobicContact CD1-CZ 4.33Å; I79-F126 HydrophobicContact CG1-CE2 3.78Å; I79-F126 HydrophobicContact CG1-CZ 4.41Å; I79-Y216 HydrophobicContact CD1-CD1 4.46Å; I79-Y216 HydrophobicContact CD1-CE1 4.03Å; I79-Y216 HydrophobicContact CG2-CD1 4.02Å; I79-Y216 HydrophobicContact CG2-CD2 3.96Å; I79-Y216 HydrophobicContact CG2-CE1 3.81Å; I79-Y216 HydrophobicContact CG2-CE2 3.75Å; I79-Y216 HydrophobicContact CG2-CG 4.12Å |
| 80 | L | 86 | Confident | 85 | Confident | 26 Ų | 26 | 39.4 Ų | 39.4 | 14% | 0.136 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.1 | -36.3 | 176 | -72.2 | 172 | 0 | 0 | 0 | 111.8 | F33 L40 V76 A217 | F33-L80 HydrophobicContact CD2-CB 4.46Å; L40-L80 HydrophobicContact CD2-CD1 4.5Å; V76-L80 HydrophobicContact CG1-CD1 3.78Å; V76-L80 HydrophobicContact CG1-CG 4.34Å; V76-L80 WeakPolarHBondContact O-CB 3.35Å; V76-L80 WeakPolarHBondContact O-CG 3.44Å; V76-L80 PolarHBondContact O-N 3.12Å; L80-A217 HydrophobicContact CD1-CB 4.46Å |
| 81 | G | 86.1 | Confident | 84.5 | Confident | 3 Ų | 3 | 43 Ų | 43 | 3% | 0.031 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -80.7 | -8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | F33 G77 L78 I79 R83 V84 I85 | F33-G81 VanDerWaalsContact CD2-CA 3.47Å; F33-G81 VanDerWaalsContact CE2-CA 3.42Å; G77-G81 PolarHBondContact O-N 2.86Å; L78-G81 CarbonylContact O-C 3.53Å; L78-G81 PolarHBondContact O-N 3.07Å; I79-G81 VanDerWaalsContact C-N 3.3Å; I79-G81 PolarHBondContact O-N 3.5Å; G81-R83 VanDerWaalsContact C-N 3.27Å; G81-R83 PolarHBondContact O-N 2.86Å; G81-R83 VanDerWaalsContact O-N 3.16Å; G81-V84 PolarHBondContact O-N 3.12Å; G81-V84 VanDerWaalsContact O-N 3.13Å; G81-I85 WeakPolarHBondContact O-CB 3.3Å; G81-I85 VanDerWaalsContact O-CG1 3.3Å; G81-I85 WeakPolarHBondContact O-CG1 3.43Å; G81-I85 PolarHBondContact O-N 3.03Å |
| 82 | R | 83.5 | Confident | 83.8 | Confident | 43 Ų | 43 | 42.3 Ų | 42.3 | 16% | 0.162 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -55 | -40.6 | -171.7 | 79.2 | -173.9 | -174 | -147.4 | 11.8 | 113.4 | L78 I79 W86 D146 Y165 | L78-R82 PolarHBondContact O-N 3.05Å; I79-R82 WeakPolarHBondContact O-CB 3.39Å; I79-R82 WeakPolarHBondContact O-CD 3.42Å; I79-R82 VanDerWaalsContact O-CG 3.29Å; I79-R82 WeakPolarHBondContact O-CG 3.46Å; I79-R82 PolarHBondContact O-N 3.09Å; R82-W86 WeakPolarHBondContact O-CB 3.5Å; R82-W86 PolarHBondContact O-N 3.09Å; R82-D146 IonicContact NH1-OD1 3.45Å; R82-D146 IonicContact NH1-OD2 3.15Å; R82-Y165 PolarHBondContact NH1-OH 3.41Å; R82-Y165 PolarHBondContact NH2-OH 3.07Å; R82-Y165 VanDerWaalsContact NH2-OH 3.12Å |
| 83 | R | 80.5 | Confident | 83 | Confident | 30 Ų | 30 | 45 Ų | 45 | 11% | 0.113 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69.3 | -44.6 | -179.2 | -69.4 | -175.8 | 173.2 | 164.9 | -0.3 | 111.3 | E29 G81 I85 W86 C87 E168 Y256 | E29-R83 WeakPolarHBondContact OE2-CB 3.42Å; G81-R83 VanDerWaalsContact C-N 3.27Å; G81-R83 PolarHBondContact O-N 2.86Å; G81-R83 VanDerWaalsContact O-N 3.16Å; R83-I85 PolarHBondContact O-N 3.16Å; R83-W86 WeakPolarHBondContact O-CB 3.28Å; R83-W86 PolarHBondContact O-N 3.25Å; R83-C87 PolarHBondContact O-N 3.43Å; R83-C87 PolarHBondContact O-SG 3.32Å; R83-C87 VanDerWaalsContact O-SG 3.34Å; R83-E168 IonicContact NH2-OE2 2.71Å; R83-Y256 PolarHBondContact NH1-OH 3.37Å |
| 84 | V | 86.7 | Confident | 81.8 | Confident | 13 Ų | 13 | 49.8 Ų | 49.8 | 8% | 0.079 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.6 | -46.1 | 175.6 | 173.8 | 0 | 0 | 0 | 0 | 111.1 | E29 F33 G81 W86 C87 F88 | E29-V84 HydrophobicContact CB-CG2 3.81Å; E29-V84 WeakPolarHBondContact O-CG2 3.22Å; F33-V84 HydrophobicContact CB-CG2 3.55Å; F33-V84 HydrophobicContact CG-CG2 4.16Å; G81-V84 PolarHBondContact O-N 3.12Å; G81-V84 VanDerWaalsContact O-N 3.13Å; V84-W86 VanDerWaalsContact C-N 3.29Å; V84-W86 PolarHBondContact O-N 3.45Å; V84-C87 PolarHBondContact O-N 2.92Å; V84-F88 HydrophobicContact CG1-CD2 3.69Å; V84-F88 HydrophobicContact CG1-CE2 3.81Å; V84-F88 WeakPolarHBondContact O-CD2 3.24Å; V84-F88 PolarHBondContact O-N 3.04Å |
| 85 | I | 84.9 | Confident | 80.4 | Confident | 42 Ų | 42 | 51.6 Ų | 51.6 | 22% | 0.215 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -55.3 | -48.3 | 175.5 | -71.3 | 166.6 | 0 | 0 | 0 | 109.8 | L78 G81 R83 F88 L89 I122 | L78-I85 HydrophobicContact CD2-CD1 4.36Å; G81-I85 WeakPolarHBondContact O-CB 3.3Å; G81-I85 VanDerWaalsContact O-CG1 3.3Å; G81-I85 WeakPolarHBondContact O-CG1 3.43Å; G81-I85 PolarHBondContact O-N 3.03Å; R83-I85 PolarHBondContact O-N 3.16Å; I85-F88 PolarHBondContact O-N 2.81Å; I85-L89 HydrophobicContact CG2-CD1 3.96Å; I85-L89 HydrophobicContact CG2-CG 4.48Å; I85-L89 VanDerWaalsContact O-CG 3.28Å; I85-L89 WeakPolarHBondContact O-CG 3.5Å; I85-L89 PolarHBondContact O-N 3.41Å; I85-I122 HydrophobicContact CB-CD1 4.44Å; I85-I122 HydrophobicContact CD1-CD1 4.07Å; I85-I122 HydrophobicContact CD1-CG1 4.38Å; I85-I122 HydrophobicContact CD1-CG2 4.29Å; I85-I122 HydrophobicContact CG1-CD1 4.28Å; I85-I122 HydrophobicContact CG2-CD1 3.34Å |
| 86 | W | 81 | Confident | 79 | Confident | 73 Ų | 73 | 54.9 Ų | 54.9 | 28% | 0.277 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.8 | -44.5 | 177.8 | -174.8 | -103 | 0 | 0 | 0 | 112.7 | R82 R83 V84 F88 L89 K90 W163 C167 | R82-W86 WeakPolarHBondContact O-CB 3.5Å; R82-W86 PolarHBondContact O-N 3.09Å; R83-W86 WeakPolarHBondContact O-CB 3.28Å; R83-W86 PolarHBondContact O-N 3.25Å; V84-W86 VanDerWaalsContact C-N 3.29Å; V84-W86 PolarHBondContact O-N 3.45Å; W86-F88 VanDerWaalsContact C-N 3.32Å; W86-F88 PolarHBondContact O-N 3.14Å; W86-L89 HydrophobicContact CE3-CD1 4.5Å; W86-L89 PolarHBondContact O-N 2.89Å; W86-K90 WeakPolarHBondContact O-CB 3.4Å; W86-K90 PolarHBondContact O-N 3.02Å; W86-W163 AromaticContact CH2-CH2 3.89Å; W86-W163 HydrophobicContact CH2-CH2 3.89Å; W86-W163 HydrophobicContact CH2-CZ2 4.12Å; W86-W163 HydrophobicContact CH2-CZ3 4.48Å; W86-C167 HydrophobicContact CH2-CB 4.45Å; W86-C167 WeakPolarHBondContact CH2-SG 3.27Å; W86-C167 HydrophobicContact CZ2-CB 3.88Å; W86-C167 WeakPolarHBondContact CZ2-SG 3.35Å |
| 87 | C | 82.1 | Confident | 77.5 | Confident | 10 Ų | 10 | 61.8 Ų | 61.8 | 7% | 0.068 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.5 | -39.2 | 176.1 | -69.7 | 0 | 0 | 0 | 0 | 112.2 | L26 R83 V84 K90 R91 | L26-C87 HydrophobicContact CD1-CB 3.65Å; R83-C87 PolarHBondContact O-N 3.43Å; R83-C87 PolarHBondContact O-SG 3.32Å; R83-C87 VanDerWaalsContact O-SG 3.34Å; V84-C87 PolarHBondContact O-N 2.92Å; C87-K90 PolarHBondContact O-N 3.49Å; C87-R91 WeakPolarHBondContact O-CB 3.29Å; C87-R91 PolarHBondContact O-N 2.89Å |
| 88 | F | 84 | Confident | 76.1 | Confident | 107 Ų | 107 | 66.2 Ų | 66.2 | 47% | 0.469 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64 | -46 | 173.1 | -94.3 | -77.2 | 0 | 0 | 0 | 111.6 | L26 V84 I85 W86 K90 R91 L92 | L26-F88 HydrophobicContact CD1-CD2 3.77Å; L26-F88 HydrophobicContact CD1-CE2 3.88Å; L26-F88 HydrophobicContact CD1-CG 4.16Å; L26-F88 HydrophobicContact CD1-CZ 4.35Å; V84-F88 HydrophobicContact CG1-CD2 3.69Å; V84-F88 HydrophobicContact CG1-CE2 3.81Å; V84-F88 WeakPolarHBondContact O-CD2 3.24Å; V84-F88 PolarHBondContact O-N 3.04Å; I85-F88 PolarHBondContact O-N 2.81Å; W86-F88 VanDerWaalsContact C-N 3.32Å; W86-F88 PolarHBondContact O-N 3.14Å; F88-K90 VanDerWaalsContact C-N 3.29Å; F88-K90 PolarHBondContact O-N 3.2Å; F88-R91 PolarHBondContact O-N 3.35Å; F88-R91 VanDerWaalsContact O-N 3.09Å; F88-L92 WeakPolarHBondContact O-CG 3.41Å; F88-L92 PolarHBondContact O-N 3.41Å |
| 89 | L | 79.9 | Confident | 74.7 | Confident | 15 Ų | 15 | 67.1 Ų | 67.1 | 8% | 0.079 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.5 | -38 | 176.4 | -68.2 | 170.1 | 0 | 0 | 0 | 111.9 | I85 W86 L92 K115 A118 V119 | I85-L89 HydrophobicContact CG2-CD1 3.96Å; I85-L89 HydrophobicContact CG2-CG 4.48Å; I85-L89 VanDerWaalsContact O-CG 3.28Å; I85-L89 WeakPolarHBondContact O-CG 3.5Å; I85-L89 PolarHBondContact O-N 3.41Å; W86-L89 HydrophobicContact CE3-CD1 4.5Å; W86-L89 PolarHBondContact O-N 2.89Å; L89-L92 PolarHBondContact O-N 2.75Å; L89-K115 HydrophobicContact CD2-CB 4.43Å; L89-K115 HydrophobicContact CD2-CG 4.12Å; L89-K115 WeakPolarHBondContact O-CE 3.32Å; L89-A118 HydrophobicContact CD2-CB 4.23Å; L89-V119 HydrophobicContact CD1-CG2 3.57Å; L89-V119 HydrophobicContact CD2-CG2 4.24Å |
| 90 | K | 77.8 | Confident | 73.9 | Confident | 80 Ų | 80 | 70 Ų | 70 | 35% | 0.348 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.7 | -40.7 | 173 | -173.2 | -178.8 | 177.8 | -174.6 | 0 | 111 | E25 W86 C87 F88 L92 T93 N169 | E25-K90 IonicContact OE1-NZ 3.32Å; E25-K90 IonicContact OE2-NZ 3.31Å; E25-K90 PolarHBondContact OE2-NZ 3.33Å; W86-K90 WeakPolarHBondContact O-CB 3.4Å; W86-K90 PolarHBondContact O-N 3.02Å; C87-K90 PolarHBondContact O-N 3.49Å; F88-K90 VanDerWaalsContact C-N 3.29Å; F88-K90 PolarHBondContact O-N 3.2Å; K90-L92 VanDerWaalsContact C-N 3.26Å; K90-L92 PolarHBondContact O-N 3.24Å; K90-T93 WeakPolarHBondContact O-CB 3.47Å; K90-T93 VanDerWaalsContact O-CG2 3.26Å; K90-T93 WeakPolarHBondContact O-CG2 3.38Å; K90-T93 PolarHBondContact O-N 3.07Å; K90-T93 VanDerWaalsContact O-N 3.11Å; K90-T93 PolarHBondContact O-OG1 2.83Å; K90-N169 PolarHBondContact NZ-OD1 2.92Å |
| 91 | R | 77.8 | Confident | 73 | Confident | 203 Ų | 203 | 78 Ų | 78 | 77% | 0.766 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -68 | -27.5 | 178.3 | -169.9 | 58.7 | 175.6 | -151.9 | 2.6 | 113.1 | C87 F88 T93 | C87-R91 WeakPolarHBondContact O-CB 3.29Å; C87-R91 PolarHBondContact O-N 2.89Å; F88-R91 PolarHBondContact O-N 3.35Å; F88-R91 VanDerWaalsContact O-N 3.09Å; R91-T93 PolarHBondContact O-N 3.4Å |
| 92 | L | 71.8 | Confident | 72.1 | Confident | 74 Ų | 74 | 86.8 Ų | 86.8 | 39% | 0.387 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -6.9 | 173.8 | -69.3 | 170.9 | 0 | 0 | 0 | 113.4 | F88 L89 K90 F94 L114 | F88-L92 WeakPolarHBondContact O-CG 3.41Å; F88-L92 PolarHBondContact O-N 3.41Å; L89-L92 PolarHBondContact O-N 2.75Å; K90-L92 VanDerWaalsContact C-N 3.26Å; K90-L92 PolarHBondContact O-N 3.24Å; L92-F94 PolarHBondContact O-N 2.81Å; L92-F94 VanDerWaalsContact O-N 3.1Å; L92-L114 HydrophobicContact CD1-CD2 4.1Å; L92-L114 HydrophobicContact CD2-CD2 3.93Å; L92-L114 HydrophobicContact CG-CD2 4.45Å |
| 93 | T | 69.2 | Low | 71.5 | Confident | 58 Ų | 58 | 93.5 Ų | 93.5 | 36% | 0.356 | 46% | 0.46 | S | S | . | . | trans | -69.6 | 108.8 | 174.6 | 66.4 | 0 | 0 | 0 | 0 | 109.2 | K90 R91 I95 E111 | K90-T93 WeakPolarHBondContact O-CB 3.47Å; K90-T93 VanDerWaalsContact O-CG2 3.26Å; K90-T93 WeakPolarHBondContact O-CG2 3.38Å; K90-T93 PolarHBondContact O-N 3.07Å; K90-T93 VanDerWaalsContact O-N 3.11Å; K90-T93 PolarHBondContact O-OG1 2.83Å; R91-T93 PolarHBondContact O-N 3.4Å; T93-I95 VanDerWaalsContact C-N 3.25Å; T93-I95 PolarHBondContact O-N 3.25Å; T93-E111 WeakPolarHBondContact CA-OE2 3.5Å; T93-E111 VanDerWaalsContact CG2-OE1 3.3Å; T93-E111 WeakPolarHBondContact CG2-OE1 3.2Å | ||
| 94 | F | 62.8 | Low | 71 | Confident | 156 Ų | 156 | 94.3 Ų | 94.3 | 68% | 0.684 | 47% | 0.469 | S | S | * | . | trans | -84.1 | -1.9 | -177.6 | -125.4 | -90.4 | 0 | 0 | 0 | 113.2 | L92 S96 | L92-F94 PolarHBondContact O-N 2.81Å; L92-F94 VanDerWaalsContact O-N 3.1Å; F94-S96 VanDerWaalsContact C-N 3.31Å; F94-S96 PolarHBondContact O-N 3.22Å | ||
| 95 | I | 59.4 | Low | 70.4 | Confident | 77 Ų | 77 | 101.4 Ų | 101.4 | 40% | 0.395 | 50% | 0.499 | S | S | . | . | trans | -73.1 | 87.3 | -177.2 | -58.7 | 168.1 | 0 | 0 | 0 | 109.2 | T93 L108 E111 | T93-I95 VanDerWaalsContact C-N 3.25Å; T93-I95 PolarHBondContact O-N 3.25Å; I95-L108 HydrophobicContact CD1-CB 4.44Å; I95-L108 HydrophobicContact CD1-CD1 3.74Å; I95-L108 HydrophobicContact CD1-CG 4.1Å; I95-E111 VanDerWaalsContact CD1-OE2 3.31Å; I95-E111 WeakPolarHBondContact CD1-OE2 3.35Å; I95-E111 WeakPolarHBondContact CG1-OE2 3.47Å | ||
| 96 | S | 57 | Low | 70 | Confident | 72 Ų | 72 | 101.4 Ų | 101.4 | 50% | 0.503 | 51% | 0.509 | S | S | . | . | trans | -74.6 | 133.7 | 159.8 | 179.7 | 0 | 0 | 0 | 0 | 108.8 | F94 S98 C99 | F94-S96 VanDerWaalsContact C-N 3.31Å; F94-S96 PolarHBondContact O-N 3.22Å; S96-S98 PolarHBondContact O-N 2.82Å; S96-C99 PolarHBondContact O-N 3.46Å | ||
| 97 | T | 58.4 | Low | 69.8 | Low | 147 Ų | 147 | 99.7 Ų | 99.7 | 90% | 0.902 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -6.7 | 178.7 | 44.6 | 0 | 0 | 0 | 0 | 114.3 | ||
| 98 | S | 59 | Low | 69.4 | Low | 112 Ų | 112 | 102.7 Ų | 102.7 | 78% | 0.783 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | 4.9 | 179.5 | -60.9 | 0 | 0 | 0 | 0 | 115.1 | S96 | S96-S98 PolarHBondContact O-N 2.82Š|
| 99 | C | 58.3 | Low | 69.3 | Low | 55 Ų | 55 | 104.6 Ų | 104.6 | 37% | 0.372 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -89.7 | 137.8 | -176 | -143.6 | 0 | 0 | 0 | 0 | 113.7 | S96 T104 L107 | S96-C99 PolarHBondContact O-N 3.46Å; C99-T104 HydrophobicContact CB-CG2 4.46Å; C99-L107 HydrophobicContact CB-CD1 4.36Å |
| 100 | S | 65 | Low | 69.3 | Low | 74 Ų | 74 | 109.2 Ų | 109.2 | 52% | 0.517 | 55% | 0.553 | S | S | . | * | trans | -59.5 | 138.4 | 178.6 | 167.6 | 0 | 0 | 0 | 0 | 112.6 | K102 W103 T104 | S100-K102 PolarHBondContact O-N 3.27Å; S100-W103 PolarHBondContact O-N 3.12Å; S100-T104 PolarHBondContact O-N 3.22Å | ||
| 101 | K | 67.6 | Low | 69.3 | Low | 193 Ų | 193 | 106.3 Ų | 106.3 | 84% | 0.839 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -51 | -20.3 | -178.3 | -71.5 | -175.4 | 179.8 | 178.9 | 0 | 115.4 | T104 | K101-T104 VanDerWaalsContact C-OG1 3.29Å; K101-T104 WeakPolarHBondContact CA-OG1 3.35Å; K101-T104 PolarHBondContact O-OG1 3.25Å |
| 102 | K | 68.6 | Low | 69.5 | Low | 188 Ų | 188 | 102.9 Ų | 102.9 | 82% | 0.817 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -80.3 | -35.2 | 176.6 | -70.1 | -171.4 | 178.7 | -177.2 | 0 | 112.8 | S100 | S100-K102 PolarHBondContact O-N 3.27Å |
| 103 | W | 70.2 | Confident | 69.9 | Low | 185 Ų | 185 | 102.1 Ų | 102.1 | 70% | 0.701 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -85.6 | -18.5 | 178.4 | -76.4 | 86.8 | 0 | 0 | 0 | 112.6 | S100 F105 G106 L107 | S100-W103 PolarHBondContact O-N 3.12Å; W103-F105 VanDerWaalsContact C-N 3.33Å; W103-F105 PolarHBondContact O-N 2.94Å; W103-G106 PolarHBondContact O-N 3.37Å; W103-L107 HydrophobicContact CB-CD1 4.46Å; W103-L107 WeakPolarHBondContact O-CB 3.44Å; W103-L107 WeakPolarHBondContact O-CG 3.28Å; W103-L107 PolarHBondContact O-N 3.17Å |
| 104 | T | 69.4 | Low | 70.4 | Confident | 47 Ų | 47 | 104.2 Ų | 104.2 | 29% | 0.288 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59.8 | -40.4 | 178.8 | 51.2 | 0 | 0 | 0 | 0 | 112.5 | C99 S100 K101 L108 | C99-T104 HydrophobicContact CB-CG2 4.46Å; S100-T104 PolarHBondContact O-N 3.22Å; K101-T104 VanDerWaalsContact C-OG1 3.29Å; K101-T104 WeakPolarHBondContact CA-OG1 3.35Å; K101-T104 PolarHBondContact O-OG1 3.25Å; T104-L108 WeakPolarHBondContact O-CB 3.31Å; T104-L108 PolarHBondContact O-N 2.96Å |
| 105 | F | 74.1 | Confident | 71.3 | Confident | 162 Ų | 162 | 98.2 Ų | 98.2 | 71% | 0.711 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.7 | -44.4 | 179.2 | -172.1 | -95.7 | 0 | 0 | 0 | 112.1 | W103 L108 F109 | W103-F105 VanDerWaalsContact C-N 3.33Å; W103-F105 PolarHBondContact O-N 2.94Å; F105-L108 PolarHBondContact O-N 2.85Å; F105-F109 PolarHBondContact O-N 3.5Å |
| 106 | G | 77.4 | Confident | 72.3 | Confident | 42 Ų | 42 | 100 Ų | 100 | 43% | 0.433 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.2 | -41.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | W103 F109 L110 | W103-G106 PolarHBondContact O-N 3.37Å; G106-F109 PolarHBondContact O-N 2.93Å; G106-L110 WeakPolarHBondContact O-CB 3.44Å; G106-L110 PolarHBondContact O-N 3.06Å |
| 107 | L | 75.2 | Confident | 73.7 | Confident | 36 Ų | 36 | 100.4 Ų | 100.4 | 19% | 0.188 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -66.4 | -37.5 | 174.8 | -74.5 | 168.2 | 0 | 0 | 0 | 112.3 | C99 W103 L110 E111 | C99-L107 HydrophobicContact CB-CD1 4.36Å; W103-L107 HydrophobicContact CB-CD1 4.46Å; W103-L107 WeakPolarHBondContact O-CB 3.44Å; W103-L107 WeakPolarHBondContact O-CG 3.28Å; W103-L107 PolarHBondContact O-N 3.17Å; L107-L110 PolarHBondContact O-N 3.31Å; L107-E111 VanDerWaalsContact O-CB 3.29Å; L107-E111 WeakPolarHBondContact O-CB 3.23Å; L107-E111 PolarHBondContact O-N 3.4Å |
| 108 | L | 75.7 | Confident | 74.8 | Confident | 74 Ų | 74 | 95.3 Ų | 95.3 | 39% | 0.387 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68 | -40.7 | 176.5 | -154 | 139.1 | 0 | 0 | 0 | 110.6 | I95 T104 F105 E111 W112 | I95-L108 HydrophobicContact CD1-CB 4.44Å; I95-L108 HydrophobicContact CD1-CD1 3.74Å; I95-L108 HydrophobicContact CD1-CG 4.1Å; T104-L108 WeakPolarHBondContact O-CB 3.31Å; T104-L108 PolarHBondContact O-N 2.96Å; F105-L108 PolarHBondContact O-N 2.85Å; L108-E111 PolarHBondContact O-N 3.11Å; L108-W112 VanDerWaalsContact O-CD1 3.22Å; L108-W112 PolarHBondContact O-N 3.31Å |
| 109 | F | 80.3 | Confident | 75.9 | Confident | 147 Ų | 147 | 93.2 Ų | 93.2 | 65% | 0.645 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -62.3 | -44.3 | 173.3 | -172.1 | -95.2 | 0 | 0 | 0 | 112 | F105 G106 E111 W112 S113 | F105-F109 PolarHBondContact O-N 3.5Å; G106-F109 PolarHBondContact O-N 2.93Å; F109-E111 VanDerWaalsContact C-N 3.33Å; F109-E111 PolarHBondContact O-N 3.32Å; F109-W112 PolarHBondContact O-N 2.84Å; F109-S113 VanDerWaalsContact O-CB 3.32Å; F109-S113 WeakPolarHBondContact O-CB 3.14Å; F109-S113 PolarHBondContact O-N 3.45Å; F109-S113 PolarHBondContact O-OG 3.36Å |
| 110 | L | 79.8 | Confident | 77 | Confident | 111 Ų | 111 | 92 Ų | 92 | 58% | 0.581 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -62.9 | -38.3 | 175.3 | -167.2 | 84.5 | 0 | 0 | 0 | 112.3 | G106 L107 S113 L114 | G106-L110 WeakPolarHBondContact O-CB 3.44Å; G106-L110 PolarHBondContact O-N 3.06Å; L107-L110 PolarHBondContact O-N 3.31Å; L110-S113 WeakPolarHBondContact CA-OG 3.43Å; L110-S113 PolarHBondContact O-OG 2.88Å; L110-L114 PolarHBondContact O-N 3.24Å |
| 111 | E | 79.2 | Confident | 78 | Confident | 19 Ų | 19 | 91.2 Ų | 91.2 | 9% | 0.089 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -64.8 | -49.4 | 176.9 | -178.5 | -176 | 141.1 | 0 | 0 | 111.2 | T93 I95 L107 L108 F109 S113 L114 K115 | T93-E111 WeakPolarHBondContact CA-OE2 3.5Å; T93-E111 VanDerWaalsContact CG2-OE1 3.3Å; T93-E111 WeakPolarHBondContact CG2-OE1 3.2Å; I95-E111 VanDerWaalsContact CD1-OE2 3.31Å; I95-E111 WeakPolarHBondContact CD1-OE2 3.35Å; I95-E111 WeakPolarHBondContact CG1-OE2 3.47Å; L107-E111 VanDerWaalsContact O-CB 3.29Å; L107-E111 WeakPolarHBondContact O-CB 3.23Å; L107-E111 PolarHBondContact O-N 3.4Å; L108-E111 PolarHBondContact O-N 3.11Å; F109-E111 VanDerWaalsContact C-N 3.33Å; F109-E111 PolarHBondContact O-N 3.32Å; E111-S113 VanDerWaalsContact C-N 3.34Å; E111-L114 PolarHBondContact O-N 2.88Å; E111-K115 HydrophobicContact CG-CD 3.93Å; E111-K115 WeakPolarHBondContact O-CB 3.39Å; E111-K115 WeakPolarHBondContact O-CG 3.1Å; E111-K115 PolarHBondContact O-N 3.21Å; E111-K115 WeakPolarHBondContact OE1-CE 3.17Å; E111-K115 IonicContact OE1-NZ 3.8Å; E111-K115 PolarHBondContact OE1-NZ 3.33Å |
| 112 | W | 80.7 | Confident | 78.7 | Confident | 132 Ų | 132 | 84.5 Ų | 84.5 | 50% | 0.5 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -69.4 | -31.9 | 179.3 | -79.8 | 95.1 | 0 | 0 | 0 | 112.4 | L108 F109 L114 K115 L116 | L108-W112 VanDerWaalsContact O-CD1 3.22Å; L108-W112 PolarHBondContact O-N 3.31Å; F109-W112 PolarHBondContact O-N 2.84Å; W112-L114 VanDerWaalsContact C-N 3.26Å; W112-L114 PolarHBondContact O-N 3.41Å; W112-K115 PolarHBondContact O-N 3.19Å; W112-L116 HydrophobicContact CE3-CD1 4.29Å; W112-L116 WeakPolarHBondContact O-CB 3.3Å; W112-L116 PolarHBondContact O-N 3.41Å |
| 113 | S | 81 | Confident | 79.4 | Confident | 58 Ų | 58 | 80.6 Ų | 80.6 | 41% | 0.406 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -66.8 | -27.1 | 175.7 | 70.9 | 0 | 0 | 0 | 0 | 112.9 | F109 L110 E111 P117 | F109-S113 VanDerWaalsContact O-CB 3.32Å; F109-S113 WeakPolarHBondContact O-CB 3.14Å; F109-S113 PolarHBondContact O-N 3.45Å; F109-S113 PolarHBondContact O-OG 3.36Å; L110-S113 WeakPolarHBondContact CA-OG 3.43Å; L110-S113 PolarHBondContact O-OG 2.88Å; E111-S113 VanDerWaalsContact C-N 3.34Å; S113-P117 WeakPolarHBondContact O-CD 3.47Å; S113-P117 WeakPolarHBondContact O-CG 3.43Å |
| 114 | L | 80 | Confident | 80 | Confident | 102 Ų | 102 | 76.1 Ų | 76.1 | 53% | 0.534 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -84.3 | -41 | 172.4 | -172.5 | 65.8 | 0 | 0 | 0 | 112.4 | L92 L110 E111 W112 | L92-L114 HydrophobicContact CD1-CD2 4.1Å; L92-L114 HydrophobicContact CD2-CD2 3.93Å; L92-L114 HydrophobicContact CG-CD2 4.45Å; L110-L114 PolarHBondContact O-N 3.24Å; E111-L114 PolarHBondContact O-N 2.88Å; W112-L114 VanDerWaalsContact C-N 3.26Å; W112-L114 PolarHBondContact O-N 3.41Å |
| 115 | K | 80.6 | Confident | 80.7 | Confident | 30 Ų | 30 | 76.1 Ų | 76.1 | 13% | 0.13 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -70.1 | -41.4 | -177.8 | -74.7 | 179.4 | 171.7 | -176 | 0 | 113.3 | L89 E111 W112 A118 V119 | L89-K115 HydrophobicContact CD2-CB 4.43Å; L89-K115 HydrophobicContact CD2-CG 4.12Å; L89-K115 WeakPolarHBondContact O-CE 3.32Å; E111-K115 HydrophobicContact CG-CD 3.93Å; E111-K115 WeakPolarHBondContact O-CB 3.39Å; E111-K115 WeakPolarHBondContact O-CG 3.1Å; E111-K115 PolarHBondContact O-N 3.21Å; E111-K115 WeakPolarHBondContact OE1-CE 3.17Å; E111-K115 IonicContact OE1-NZ 3.8Å; E111-K115 PolarHBondContact OE1-NZ 3.33Å; W112-K115 PolarHBondContact O-N 3.19Å; K115-A118 PolarHBondContact O-N 3.46Å; K115-V119 WeakPolarHBondContact O-CB 3.35Å; K115-V119 WeakPolarHBondContact O-CG2 3.47Å; K115-V119 PolarHBondContact O-N 2.89Å |
| 116 | L | 80.8 | Confident | 81.1 | Confident | 114 Ų | 114 | 70.2 Ų | 70.2 | 60% | 0.597 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -67.6 | -41.9 | -169.9 | -157.8 | 139.5 | 0 | 0 | 0 | 112.4 | W112 G120 | W112-L116 HydrophobicContact CE3-CD1 4.29Å; W112-L116 WeakPolarHBondContact O-CB 3.3Å; W112-L116 PolarHBondContact O-N 3.41Å; L116-G120 WeakPolarHBondContact O-CA 3.45Å; L116-G120 PolarHBondContact O-N 3.2Å |
| 117 | P | 85.6 | Confident | 81.2 | Confident | 81 Ų | 81 | 70.8 Ų | 70.8 | 53% | 0.526 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64 | -39.4 | 170.3 | -22.6 | 34.5 | 0 | 0 | 0 | 113.1 | S113 G120 A121 | S113-P117 WeakPolarHBondContact O-CD 3.47Å; S113-P117 WeakPolarHBondContact O-CG 3.43Å; P117-G120 PolarHBondContact O-N 2.91Å; P117-A121 VanDerWaalsContact O-CB 3.3Å; P117-A121 WeakPolarHBondContact O-CB 3.13Å; P117-A121 PolarHBondContact O-N 2.94Å |
| 118 | A | 82.2 | Confident | 81.6 | Confident | 39 Ų | 39 | 74.7 Ų | 74.7 | 32% | 0.322 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.1 | -49.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L89 K115 G120 A121 I122 | L89-A118 HydrophobicContact CD2-CB 4.23Å; K115-A118 PolarHBondContact O-N 3.46Å; A118-G120 VanDerWaalsContact C-N 3.32Å; A118-G120 PolarHBondContact O-N 3.04Å; A118-A121 PolarHBondContact O-N 3.01Å; A118-I122 WeakPolarHBondContact O-CD1 3.36Å; A118-I122 WeakPolarHBondContact O-CG1 3.19Å; A118-I122 PolarHBondContact O-N 3.41Å |
| 119 | V | 81.4 | Confident | 81.9 | Confident | 69 Ų | 69 | 71.3 Ų | 71.3 | 42% | 0.418 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.8 | -41.3 | 175.5 | 175.2 | 0 | 0 | 0 | 0 | 110.6 | L89 K115 I122 L123 | L89-V119 HydrophobicContact CD1-CG2 3.57Å; L89-V119 HydrophobicContact CD2-CG2 4.24Å; K115-V119 WeakPolarHBondContact O-CB 3.35Å; K115-V119 WeakPolarHBondContact O-CG2 3.47Å; K115-V119 PolarHBondContact O-N 2.89Å; V119-I122 PolarHBondContact O-N 3.21Å; V119-L123 WeakPolarHBondContact O-CB 3.11Å; V119-L123 PolarHBondContact O-N 3.38Å |
| 120 | G | 82 | Confident | 81.7 | Confident | 30 Ų | 30 | 66.4 Ų | 66.4 | 31% | 0.309 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -57.9 | -49.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | L116 P117 A118 I122 L123 T124 | L116-G120 WeakPolarHBondContact O-CA 3.45Å; L116-G120 PolarHBondContact O-N 3.2Å; P117-G120 PolarHBondContact O-N 2.91Å; A118-G120 VanDerWaalsContact C-N 3.32Å; A118-G120 PolarHBondContact O-N 3.04Å; G120-I122 PolarHBondContact O-N 2.93Å; G120-L123 PolarHBondContact O-N 2.98Å; G120-T124 WeakPolarHBondContact O-CB 3.46Å; G120-T124 VanDerWaalsContact O-CG2 3.29Å; G120-T124 WeakPolarHBondContact O-CG2 3.2Å; G120-T124 PolarHBondContact O-N 2.67Å; G120-T124 PolarHBondContact O-OG1 3.03Å |
| 121 | A | 85.3 | Confident | 81.6 | Confident | 56 Ų | 56 | 65.9 Ų | 65.9 | 46% | 0.463 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.3 | -39.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | P117 A118 T124 S125 | P117-A121 VanDerWaalsContact O-CB 3.3Å; P117-A121 WeakPolarHBondContact O-CB 3.13Å; P117-A121 PolarHBondContact O-N 2.94Å; A118-A121 PolarHBondContact O-N 3.01Å; A121-T124 WeakPolarHBondContact CA-OG1 3.29Å; A121-T124 PolarHBondContact O-OG1 3.4Å; A121-T124 VanDerWaalsContact O-OG1 3.09Å; A121-S125 WeakPolarHBondContact O-CB 3.33Å; A121-S125 PolarHBondContact O-N 2.92Å |
| 122 | I | 84.2 | Confident | 81.4 | Confident | 53 Ų | 53 | 69.4 Ų | 69.4 | 27% | 0.272 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65.8 | -45.9 | 175.5 | -71 | 157 | 0 | 0 | 0 | 110.3 | L78 I85 A118 V119 G120 S125 F126 | L78-I122 HydrophobicContact CD2-CG2 4.32Å; I85-I122 HydrophobicContact CB-CD1 4.44Å; I85-I122 HydrophobicContact CD1-CD1 4.07Å; I85-I122 HydrophobicContact CD1-CG1 4.38Å; I85-I122 HydrophobicContact CD1-CG2 4.29Å; I85-I122 HydrophobicContact CG1-CD1 4.28Å; I85-I122 HydrophobicContact CG2-CD1 3.34Å; A118-I122 WeakPolarHBondContact O-CD1 3.36Å; A118-I122 WeakPolarHBondContact O-CG1 3.19Å; A118-I122 PolarHBondContact O-N 3.41Å; V119-I122 PolarHBondContact O-N 3.21Å; G120-I122 PolarHBondContact O-N 2.93Å; I122-S125 PolarHBondContact O-N 3.46Å; I122-F126 VanDerWaalsContact O-CB 3.24Å; I122-F126 WeakPolarHBondContact O-CB 3.45Å; I122-F126 PolarHBondContact O-N 2.87Å |
| 123 | L | 81.6 | Confident | 81.1 | Confident | 105 Ų | 105 | 63.5 Ų | 63.5 | 55% | 0.55 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -68 | -39.4 | -179.5 | -174.2 | 63.4 | 0 | 0 | 0 | 112 | V119 G120 F126 S127 | V119-L123 WeakPolarHBondContact O-CB 3.11Å; V119-L123 PolarHBondContact O-N 3.38Å; G120-L123 PolarHBondContact O-N 2.98Å; L123-F126 PolarHBondContact O-N 3.4Å; L123-S127 VanDerWaalsContact O-CB 3.26Å; L123-S127 WeakPolarHBondContact O-CB 3.3Å; L123-S127 PolarHBondContact O-N 3.37Å; L123-S127 PolarHBondContact O-OG 3.43Å |
| 124 | T | 82.6 | Confident | 80.3 | Confident | 92 Ų | 92 | 66 Ų | 66 | 56% | 0.564 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -68.7 | -43.1 | 176 | 55.2 | 0 | 0 | 0 | 0 | 111.3 | G120 A121 F126 S127 F128 | G120-T124 WeakPolarHBondContact O-CB 3.46Å; G120-T124 VanDerWaalsContact O-CG2 3.29Å; G120-T124 WeakPolarHBondContact O-CG2 3.2Å; G120-T124 PolarHBondContact O-N 2.67Å; G120-T124 PolarHBondContact O-OG1 3.03Å; A121-T124 WeakPolarHBondContact CA-OG1 3.29Å; A121-T124 PolarHBondContact O-OG1 3.4Å; A121-T124 VanDerWaalsContact O-OG1 3.09Å; T124-F126 VanDerWaalsContact C-N 3.32Å; T124-F126 PolarHBondContact O-N 3.48Å; T124-S127 PolarHBondContact O-N 2.88Å; T124-F128 WeakPolarHBondContact O-CB 3.45Å; T124-F128 PolarHBondContact O-N 2.99Å |
| 125 | S | 84.6 | Confident | 79.3 | Confident | 47 Ų | 47 | 67.3 Ų | 67.3 | 33% | 0.329 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.9 | -42.9 | 174.3 | -178.7 | 0 | 0 | 0 | 0 | 111.6 | A121 I122 S129 | A121-S125 WeakPolarHBondContact O-CB 3.33Å; A121-S125 PolarHBondContact O-N 2.92Å; I122-S125 PolarHBondContact O-N 3.46Å; S125-S129 WeakPolarHBondContact O-CB 3.43Å; S125-S129 PolarHBondContact O-N 3.05Å; S125-S129 PolarHBondContact O-OG 3.45Å |
| 126 | F | 82.3 | Confident | 78.1 | Confident | 38 Ų | 38 | 69 Ų | 69 | 17% | 0.167 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -61 | -51 | 174.4 | -173.1 | -98.2 | 0 | 0 | 0 | 111 | C75 L78 I79 I122 L123 T124 F128 S129 F130 F143 | C75-F126 WeakPolarHBondContact SG-CE2 3.45Å; L78-F126 HydrophobicContact CB-CD2 4.11Å; L78-F126 HydrophobicContact CD1-CB 3.91Å; L78-F126 HydrophobicContact CD1-CD2 4.13Å; I79-F126 HydrophobicContact CD1-CE2 4Å; I79-F126 HydrophobicContact CD1-CZ 4.33Å; I79-F126 HydrophobicContact CG1-CE2 3.78Å; I79-F126 HydrophobicContact CG1-CZ 4.41Å; I122-F126 VanDerWaalsContact O-CB 3.24Å; I122-F126 WeakPolarHBondContact O-CB 3.45Å; I122-F126 PolarHBondContact O-N 2.87Å; L123-F126 PolarHBondContact O-N 3.4Å; T124-F126 VanDerWaalsContact C-N 3.32Å; T124-F126 PolarHBondContact O-N 3.48Å; F126-F128 PolarHBondContact O-N 2.88Å; F126-S129 PolarHBondContact O-N 2.91Å; F126-F130 HydrophobicContact CE1-CB 4.28Å; F126-F130 AromaticContact CE1-CD2 3.65Å; F126-F130 HydrophobicContact CE1-CD2 3.65Å; F126-F130 HydrophobicContact CE1-CE2 4.29Å; F126-F130 HydrophobicContact CE1-CG 4.36Å; F126-F130 AromaticContact CZ-CD2 3.95Å; F126-F130 HydrophobicContact CZ-CD2 3.95Å; F126-F130 WeakPolarHBondContact O-CB 3.4Å; F126-F130 PolarHBondContact O-N 3.41Å; F126-F143 AromaticContact CE1-CZ 3.92Å; F126-F143 HydrophobicContact CE1-CZ 3.92Å; F126-F143 HydrophobicContact CZ-CE2 4.06Å; F126-F143 AromaticContact CZ-CZ 3.51Å; F126-F143 HydrophobicContact CZ-CZ 3.51Å |
| 127 | S | 80.4 | Confident | 76.8 | Confident | 53 Ų | 53 | 71.2 Ų | 71.2 | 37% | 0.371 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.3 | -39.8 | -177.8 | -57.3 | 0 | 0 | 0 | 0 | 112 | L123 T124 F130 V131 | L123-S127 VanDerWaalsContact O-CB 3.26Å; L123-S127 WeakPolarHBondContact O-CB 3.3Å; L123-S127 PolarHBondContact O-N 3.37Å; L123-S127 PolarHBondContact O-OG 3.43Å; T124-S127 PolarHBondContact O-N 2.88Å; S127-F130 WeakPolarHBondContact O-CB 3.45Å; S127-F130 PolarHBondContact O-N 3.39Å; S127-V131 VanDerWaalsContact O-CG2 3.27Å; S127-V131 WeakPolarHBondContact O-CG2 3.07Å; S127-V131 PolarHBondContact O-N 2.83Å |
| 128 | F | 83.4 | Confident | 75.4 | Confident | 118 Ų | 118 | 68.1 Ų | 68.1 | 52% | 0.518 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.5 | -48.9 | 176.1 | 179.6 | -106.9 | 0 | 0 | 0 | 111.4 | Y71 T124 F126 F130 V131 H132 | Y71-F128 HydrophobicContact CD1-CE1 4.37Å; Y71-F128 HydrophobicContact CE1-CD1 4.32Å; Y71-F128 AromaticContact CE1-CE1 3.66Å; Y71-F128 HydrophobicContact CE1-CE1 3.66Å; Y71-F128 HydrophobicContact CE1-CZ 4.19Å; T124-F128 WeakPolarHBondContact O-CB 3.45Å; T124-F128 PolarHBondContact O-N 2.99Å; F126-F128 PolarHBondContact O-N 2.88Å; F128-F130 VanDerWaalsContact C-N 3.29Å; F128-F130 PolarHBondContact O-N 2.88Å; F128-V131 PolarHBondContact O-N 3.47Å; F128-H132 AromaticContact CE2-NE2 3.84Å; F128-H132 AromaticContact CZ-NE2 3.89Å; F128-H132 PolarHBondContact O-CD2 3.14Å; F128-H132 PolarHBondContact O-N 2.62Å |
| 129 | S | 82.7 | Confident | 74.2 | Confident | 4 Ų | 4 | 69.2 Ų | 69.2 | 3% | 0.028 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.5 | -41.1 | 176 | -53.7 | 0 | 0 | 0 | 0 | 111.1 | S74 S125 F126 H132 V133 | S74-S129 PolarHBondContact OG-OG 3.3Å; S74-S129 VanDerWaalsContact OG-OG 3.06Å; S125-S129 WeakPolarHBondContact O-CB 3.43Å; S125-S129 PolarHBondContact O-N 3.05Å; S125-S129 PolarHBondContact O-OG 3.45Å; F126-S129 PolarHBondContact O-N 2.91Å; S129-H132 PolarHBondContact O-N 2.83Å; S129-V133 VanDerWaalsContact O-CG2 3.29Å; S129-V133 WeakPolarHBondContact O-CG2 3.35Å; S129-V133 PolarHBondContact O-N 3.25Å |
| 130 | F | 74.9 | Confident | 73 | Confident | 44 Ų | 44 | 70.1 Ų | 70.1 | 19% | 0.193 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -62.6 | -47.7 | -179.8 | 176.8 | -77.6 | 0 | 0 | 0 | 112.3 | F126 S127 F128 H132 V133 F134 Y139 F143 | F126-F130 HydrophobicContact CE1-CB 4.28Å; F126-F130 AromaticContact CE1-CD2 3.65Å; F126-F130 HydrophobicContact CE1-CD2 3.65Å; F126-F130 HydrophobicContact CE1-CE2 4.29Å; F126-F130 HydrophobicContact CE1-CG 4.36Å; F126-F130 AromaticContact CZ-CD2 3.95Å; F126-F130 HydrophobicContact CZ-CD2 3.95Å; F126-F130 WeakPolarHBondContact O-CB 3.4Å; F126-F130 PolarHBondContact O-N 3.41Å; S127-F130 WeakPolarHBondContact O-CB 3.45Å; S127-F130 PolarHBondContact O-N 3.39Å; F128-F130 VanDerWaalsContact C-N 3.29Å; F128-F130 PolarHBondContact O-N 2.88Å; F130-H132 PolarHBondContact O-N 3.24Å; F130-V133 CarbonylContact O-C 3.6Å; F130-V133 PolarHBondContact O-N 2.89Å; F130-F134 HydrophobicContact CD1-CB 4.45Å; F130-F134 HydrophobicContact CD1-CD2 4.13Å; F130-F134 HydrophobicContact CE1-CB 4.42Å; F130-F134 AromaticContact CE1-CD2 3.33Å; F130-F134 HydrophobicContact CE1-CD2 3.33Å; F130-F134 AromaticContact CE1-CE2 3.85Å; F130-F134 HydrophobicContact CE1-CE2 3.85Å; F130-F134 HydrophobicContact CE1-CG 4.14Å; F130-F134 AromaticContact CZ-CD2 3.73Å; F130-F134 HydrophobicContact CZ-CD2 3.73Å; F130-F134 AromaticContact CZ-CE2 3.97Å; F130-F134 HydrophobicContact CZ-CE2 3.97Å; F130-F134 WeakPolarHBondContact O-CB 3.27Å; F130-F134 PolarHBondContact O-N 3.34Å; F130-Y139 AromaticContact CD2-CE2 3.79Å; F130-Y139 HydrophobicContact CD2-CE2 3.79Å; F130-Y139 HydrophobicContact CE1-CE2 4.07Å; F130-Y139 HydrophobicContact CE2-CD2 4.2Å; F130-Y139 AromaticContact CE2-CE2 3.03Å; F130-Y139 HydrophobicContact CE2-CE2 3.03Å; F130-Y139 AromaticContact CE2-CZ 3.37Å; F130-Y139 WeakPolarHBondContact CE2-OH 3.33Å; F130-Y139 HydrophobicContact CZ-CD2 4.23Å; F130-Y139 HydrophobicContact CZ-CE1 4.34Å; F130-Y139 AromaticContact CZ-CE2 3.17Å; F130-Y139 HydrophobicContact CZ-CE2 3.17Å; F130-Y139 AromaticContact CZ-CZ 3.22Å; F130-Y139 WeakPolarHBondContact CZ-OH 3.43Å; F130-F143 AromaticContact CD2-CE2 3.94Å; F130-F143 HydrophobicContact CD2-CE2 3.94Å; F130-F143 HydrophobicContact CD2-CZ 4.39Å; F130-F143 HydrophobicContact CE2-CD2 4.41Å; F130-F143 AromaticContact CE2-CE2 3.61Å; F130-F143 HydrophobicContact CE2-CE2 3.61Å; F130-F143 HydrophobicContact CE2-CZ 4.11Å |
| 131 | V | 77.5 | Confident | 71.8 | Confident | 100 Ų | 100 | 72.8 Ų | 72.8 | 61% | 0.606 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -60.4 | -37.8 | -179.1 | 167.6 | 0 | 0 | 0 | 0 | 111 | S127 F128 V133 | S127-V131 VanDerWaalsContact O-CG2 3.27Å; S127-V131 WeakPolarHBondContact O-CG2 3.07Å; S127-V131 PolarHBondContact O-N 2.83Å; F128-V131 PolarHBondContact O-N 3.47Å; V131-V133 VanDerWaalsContact C-N 3.34Å; V131-V133 PolarHBondContact O-N 3.5Å |
| 132 | H | 75.6 | Confident | 70.6 | Confident | 92 Ų | 92 | 70.3 Ų | 70.3 | 43% | 0.426 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -69.9 | -28.8 | 176.8 | -85 | -69.2 | 0 | 0 | 0 | 113.8 | Y71 F128 S129 F130 | Y71-H132 HydrophobicContact CD1-CB 3.88Å; Y71-H132 HydrophobicContact CD2-CB 4.05Å; Y71-H132 HydrophobicContact CE1-CB 4.19Å; Y71-H132 AromaticContact CE1-CD2 3.64Å; Y71-H132 AromaticContact CE1-CG 3.91Å; Y71-H132 HydrophobicContact CE2-CB 4.37Å; Y71-H132 HydrophobicContact CG-CB 3.79Å; Y71-H132 AromaticContact CZ-CD2 3.99Å; F128-H132 AromaticContact CE2-NE2 3.84Å; F128-H132 AromaticContact CZ-NE2 3.89Å; F128-H132 PolarHBondContact O-CD2 3.14Å; F128-H132 PolarHBondContact O-N 2.62Å; S129-H132 PolarHBondContact O-N 2.83Å; F130-H132 PolarHBondContact O-N 3.24Å |
| 133 | V | 74.2 | Confident | 69.6 | Low | 8 Ų | 8 | 69.3 Ų | 69.3 | 5% | 0.048 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -89.7 | -22 | 178.8 | 177.9 | 0 | 0 | 0 | 0 | 112.5 | V72 S129 F130 V131 T135 C136 L142 F224 | V72-V133 HydrophobicContact CB-CG2 4.5Å; V72-V133 HydrophobicContact CG2-CG1 4.03Å; V72-V133 HydrophobicContact CG2-CG2 3.65Å; S129-V133 VanDerWaalsContact O-CG2 3.29Å; S129-V133 WeakPolarHBondContact O-CG2 3.35Å; S129-V133 PolarHBondContact O-N 3.25Å; F130-V133 CarbonylContact O-C 3.6Å; F130-V133 PolarHBondContact O-N 2.89Å; V131-V133 VanDerWaalsContact C-N 3.34Å; V131-V133 PolarHBondContact O-N 3.5Å; V133-T135 PolarHBondContact O-N 2.88Å; V133-C136 PolarHBondContact O-N 3.41Å; V133-L142 HydrophobicContact CG1-CD1 4.19Å; V133-F224 HydrophobicContact CG1-CE1 4.2Å; V133-F224 HydrophobicContact CG1-CZ 3.84Å |
| 134 | F | 63.9 | Low | 68.6 | Low | 112 Ų | 112 | 71 Ų | 71 | 49% | 0.491 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -17.5 | -170.9 | -167.3 | -99.7 | 0 | 0 | 0 | 114.7 | F130 C136 Y139 | F130-F134 HydrophobicContact CD1-CB 4.45Å; F130-F134 HydrophobicContact CD1-CD2 4.13Å; F130-F134 HydrophobicContact CE1-CB 4.42Å; F130-F134 AromaticContact CE1-CD2 3.33Å; F130-F134 HydrophobicContact CE1-CD2 3.33Å; F130-F134 AromaticContact CE1-CE2 3.85Å; F130-F134 HydrophobicContact CE1-CE2 3.85Å; F130-F134 HydrophobicContact CE1-CG 4.14Å; F130-F134 AromaticContact CZ-CD2 3.73Å; F130-F134 HydrophobicContact CZ-CD2 3.73Å; F130-F134 AromaticContact CZ-CE2 3.97Å; F130-F134 HydrophobicContact CZ-CE2 3.97Å; F130-F134 WeakPolarHBondContact O-CB 3.27Å; F130-F134 PolarHBondContact O-N 3.34Å; F134-C136 PolarHBondContact O-N 2.84Å; F134-Y139 HydrophobicContact CD2-CD1 4.14Å; F134-Y139 AromaticContact CD2-CD2 3.7Å; F134-Y139 HydrophobicContact CD2-CD2 3.7Å; F134-Y139 HydrophobicContact CD2-CE1 4.23Å; F134-Y139 AromaticContact CD2-CE2 3.86Å; F134-Y139 HydrophobicContact CD2-CE2 3.86Å; F134-Y139 AromaticContact CD2-CG 3.89Å; F134-Y139 HydrophobicContact CD2-CG 3.89Å; F134-Y139 AromaticContact CE2-CD1 3.74Å; F134-Y139 HydrophobicContact CE2-CD1 3.74Å; F134-Y139 HydrophobicContact CE2-CD2 4.12Å; F134-Y139 AromaticContact CE2-CE1 3.65Å; F134-Y139 HydrophobicContact CE2-CE1 3.65Å; F134-Y139 HydrophobicContact CE2-CE2 4.09Å; F134-Y139 AromaticContact CE2-CG 3.98Å; F134-Y139 HydrophobicContact CE2-CG 3.98Å; F134-Y139 AromaticContact CE2-CZ 3.86Å |
| 135 | T | 59.8 | Low | 67.6 | Low | 128 Ų | 128 | 69.8 Ų | 69.8 | 79% | 0.785 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -10 | 178.4 | 39.9 | 0 | 0 | 0 | 0 | 114.4 | V133 | V133-T135 PolarHBondContact O-N 2.88Š|
| 136 | C | 55.7 | Low | 66.4 | Low | 65 Ų | 65 | 67.7 Ų | 67.7 | 44% | 0.439 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -106.4 | 141 | -179.3 | -84.1 | 0 | 0 | 0 | 0 | 114 | V133 F134 A138 Y139 F224 | V133-C136 PolarHBondContact O-N 3.41Å; F134-C136 PolarHBondContact O-N 2.84Å; C136-A138 HydrophobicContact CB-CB 4.2Å; C136-A138 PolarHBondContact O-N 2.92Å; C136-Y139 WeakPolarHBondContact O-CB 3.18Å; C136-Y139 PolarHBondContact O-N 3.48Å; C136-F224 HydrophobicContact CB-CE1 4.35Å |
| 137 | L | 53.7 | Low | 65.2 | Low | 161 Ų | 161 | 69.1 Ų | 69.1 | 84% | 0.843 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.6 | -20.1 | 169.3 | -93.4 | 160.3 | 0 | 0 | 0 | 114.1 | Y139 V140 | L137-Y139 PolarHBondContact O-N 3.44Å; L137-V140 PolarHBondContact O-N 3.47Å |
| 138 | A | 55.3 | Low | 64.1 | Low | 17 Ų | 17 | 69.2 Ų | 69.2 | 14% | 0.14 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -57.5 | -14.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | C136 L141 L142 F224 | C136-A138 HydrophobicContact CB-CB 4.2Å; C136-A138 PolarHBondContact O-N 2.92Å; A138-L141 WeakPolarHBondContact O-CB 3.31Å; A138-L141 PolarHBondContact O-N 3.3Å; A138-L142 PolarHBondContact O-N 2.85Å; A138-F224 HydrophobicContact CB-CE1 4.01Å; A138-F224 HydrophobicContact CB-CE2 3.83Å; A138-F224 HydrophobicContact CB-CZ 3.37Å |
| 139 | Y | 56.7 | Low | 62.9 | Low | 61 Ų | 61 | 65 Ų | 65 | 24% | 0.239 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.1 | -44.7 | 175.3 | -172 | -102.1 | 0 | 0 | 0 | 113.6 | F130 F134 C136 L137 L141 L142 F143 | F130-Y139 AromaticContact CD2-CE2 3.79Å; F130-Y139 HydrophobicContact CD2-CE2 3.79Å; F130-Y139 HydrophobicContact CE1-CE2 4.07Å; F130-Y139 HydrophobicContact CE2-CD2 4.2Å; F130-Y139 AromaticContact CE2-CE2 3.03Å; F130-Y139 HydrophobicContact CE2-CE2 3.03Å; F130-Y139 AromaticContact CE2-CZ 3.37Å; F130-Y139 WeakPolarHBondContact CE2-OH 3.33Å; F130-Y139 HydrophobicContact CZ-CD2 4.23Å; F130-Y139 HydrophobicContact CZ-CE1 4.34Å; F130-Y139 AromaticContact CZ-CE2 3.17Å; F130-Y139 HydrophobicContact CZ-CE2 3.17Å; F130-Y139 AromaticContact CZ-CZ 3.22Å; F130-Y139 WeakPolarHBondContact CZ-OH 3.43Å; F134-Y139 HydrophobicContact CD2-CD1 4.14Å; F134-Y139 AromaticContact CD2-CD2 3.7Å; F134-Y139 HydrophobicContact CD2-CD2 3.7Å; F134-Y139 HydrophobicContact CD2-CE1 4.23Å; F134-Y139 AromaticContact CD2-CE2 3.86Å; F134-Y139 HydrophobicContact CD2-CE2 3.86Å; F134-Y139 AromaticContact CD2-CG 3.89Å; F134-Y139 HydrophobicContact CD2-CG 3.89Å; F134-Y139 AromaticContact CE2-CD1 3.74Å; F134-Y139 HydrophobicContact CE2-CD1 3.74Å; F134-Y139 HydrophobicContact CE2-CD2 4.12Å; F134-Y139 AromaticContact CE2-CE1 3.65Å; F134-Y139 HydrophobicContact CE2-CE1 3.65Å; F134-Y139 HydrophobicContact CE2-CE2 4.09Å; F134-Y139 AromaticContact CE2-CG 3.98Å; F134-Y139 HydrophobicContact CE2-CG 3.98Å; F134-Y139 AromaticContact CE2-CZ 3.86Å; C136-Y139 WeakPolarHBondContact O-CB 3.18Å; C136-Y139 PolarHBondContact O-N 3.48Å; L137-Y139 PolarHBondContact O-N 3.44Å; Y139-L141 PolarHBondContact O-N 3.39Å; Y139-L142 PolarHBondContact O-N 3.03Å; Y139-F143 HydrophobicContact CD2-CD2 4.31Å; Y139-F143 AromaticContact CE2-CD2 3.5Å; Y139-F143 HydrophobicContact CE2-CD2 3.5Å; Y139-F143 VanDerWaalsContact CE2-CD2 3.5Å; Y139-F143 AromaticContact CE2-CE2 3.68Å; Y139-F143 HydrophobicContact CE2-CE2 3.68Å; Y139-F143 AromaticContact CZ-CD2 3.67Å; Y139-F143 PolarHBondContact O-N 3.25Å |
| 140 | V | 56.2 | Low | 61.5 | Low | 89 Ų | 89 | 66.3 Ų | 66.3 | 54% | 0.539 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.1 | -40.2 | 177.2 | 177.9 | 0 | 0 | 0 | 0 | 109.1 | L137 Y144 | L137-V140 PolarHBondContact O-N 3.47Å; V140-Y144 VanDerWaalsContact O-CA 3.23Å; V140-Y144 WeakPolarHBondContact O-CA 3.41Å; V140-Y144 WeakPolarHBondContact O-CB 3.43Å; V140-Y144 PolarHBondContact O-N 2.91Å |
| 141 | L | 57.5 | Low | 60.4 | Low | 86 Ų | 86 | 71.7 Ų | 71.7 | 45% | 0.45 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.3 | -56.5 | 176 | -74 | 173.1 | 0 | 0 | 0 | 110.7 | A138 Y139 F143 Y144 Y215 | A138-L141 WeakPolarHBondContact O-CB 3.31Å; A138-L141 PolarHBondContact O-N 3.3Å; Y139-L141 PolarHBondContact O-N 3.39Å; L141-F143 PolarHBondContact O-N 2.85Å; L141-Y144 PolarHBondContact O-N 3.32Å; L141-Y215 WeakPolarHBondContact CA-OH 3.36Å; L141-Y215 WeakPolarHBondContact CB-OH 3.44Å; L141-Y215 VanDerWaalsContact O-CE1 3.3Å; L141-Y215 WeakPolarHBondContact O-CE1 3.2Å; L141-Y215 VanDerWaalsContact O-CZ 3.26Å; L141-Y215 PolarHBondContact O-OH 3.29Å |
| 142 | L | 59.9 | Low | 59.4 | Low | 3 Ų | 3 | 74.1 Ų | 74.1 | 2% | 0.016 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -48.9 | -37.1 | -176.4 | -90.5 | 164.3 | 0 | 0 | 0 | 113.9 | V76 V133 A138 Y139 Y216 I220 F224 | V76-L142 HydrophobicContact CG2-CD2 4.41Å; V133-L142 HydrophobicContact CG1-CD1 4.19Å; A138-L142 PolarHBondContact O-N 2.85Å; Y139-L142 PolarHBondContact O-N 3.03Å; L142-Y216 HydrophobicContact CD2-CD1 4.33Å; L142-Y216 HydrophobicContact CD2-CE1 4.18Å; L142-Y216 VanDerWaalsContact O-CE1 3.28Å; L142-Y216 WeakPolarHBondContact O-CE1 2.88Å; L142-Y216 PolarHBondContact O-OH 2.8Å; L142-I220 HydrophobicContact CD2-CB 4.47Å; L142-I220 HydrophobicContact CD2-CD1 3.58Å; L142-I220 HydrophobicContact CD2-CG1 3.72Å; L142-I220 HydrophobicContact CD2-CG2 3.92Å; L142-I220 HydrophobicContact CG-CD1 3.77Å; L142-I220 HydrophobicContact CG-CG1 4.46Å; L142-F224 HydrophobicContact CD1-CE2 4.46Å; L142-F224 HydrophobicContact CD1-CZ 4.46Å |
| 143 | F | 62.6 | Low | 58.6 | Low | 32 Ų | 32 | 73.3 Ų | 73.3 | 14% | 0.14 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -109.7 | 1.6 | -178.5 | -79.7 | -81.5 | 0 | 0 | 0 | 114.8 | F126 F130 Y139 L141 H145 D146 L147 | F126-F143 AromaticContact CE1-CZ 3.92Å; F126-F143 HydrophobicContact CE1-CZ 3.92Å; F126-F143 HydrophobicContact CZ-CE2 4.06Å; F126-F143 AromaticContact CZ-CZ 3.51Å; F126-F143 HydrophobicContact CZ-CZ 3.51Å; F130-F143 AromaticContact CD2-CE2 3.94Å; F130-F143 HydrophobicContact CD2-CE2 3.94Å; F130-F143 HydrophobicContact CD2-CZ 4.39Å; F130-F143 HydrophobicContact CE2-CD2 4.41Å; F130-F143 AromaticContact CE2-CE2 3.61Å; F130-F143 HydrophobicContact CE2-CE2 3.61Å; F130-F143 HydrophobicContact CE2-CZ 4.11Å; Y139-F143 HydrophobicContact CD2-CD2 4.31Å; Y139-F143 AromaticContact CE2-CD2 3.5Å; Y139-F143 HydrophobicContact CE2-CD2 3.5Å; Y139-F143 VanDerWaalsContact CE2-CD2 3.5Å; Y139-F143 AromaticContact CE2-CE2 3.68Å; Y139-F143 HydrophobicContact CE2-CE2 3.68Å; Y139-F143 AromaticContact CZ-CD2 3.67Å; Y139-F143 PolarHBondContact O-N 3.25Å; L141-F143 PolarHBondContact O-N 2.85Å; F143-H145 VanDerWaalsContact C-N 3.26Å; F143-H145 PolarHBondContact O-N 3.15Å; F143-D146 HydrophobicContact CD1-CB 4.06Å; F143-D146 PolarHBondContact O-N 3.43Å; F143-D146 VanDerWaalsContact O-N 3.11Å; F143-L147 HydrophobicContact CB-CD1 3.65Å; F143-L147 HydrophobicContact CB-CG 4Å; F143-L147 WeakPolarHBondContact O-CB 3.25Å; F143-L147 WeakPolarHBondContact O-CG 3.18Å; F143-L147 PolarHBondContact O-N 3.42Å |
| 144 | Y | 62.1 | Low | 57.5 | Low | 141 Ų | 141 | 77.7 Ų | 77.7 | 55% | 0.553 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -54.9 | -45.4 | -174.4 | -179.5 | -105 | 0 | 0 | 0 | 111.8 | V140 L141 T148 | V140-Y144 VanDerWaalsContact O-CA 3.23Å; V140-Y144 WeakPolarHBondContact O-CA 3.41Å; V140-Y144 WeakPolarHBondContact O-CB 3.43Å; V140-Y144 PolarHBondContact O-N 2.91Å; L141-Y144 PolarHBondContact O-N 3.32Å; Y144-T148 HydrophobicContact CD2-CG2 4.45Å; Y144-T148 HydrophobicContact CE1-CG2 4.24Å; Y144-T148 HydrophobicContact CE2-CG2 4.07Å; Y144-T148 WeakPolarHBondContact O-CB 3.12Å; Y144-T148 WeakPolarHBondContact O-CG2 3.17Å; Y144-T148 PolarHBondContact O-N 3.36Å; Y144-T148 PolarHBondContact O-OG1 2.51Å |
| 145 | H | 60.1 | Low | 57.3 | Low | 66 Ų | 66 | 76 Ų | 76 | 31% | 0.306 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -72 | -36.4 | -178.1 | -149.9 | -62.3 | 0 | 0 | 0 | 112.4 | F143 T148 A149 F208 | F143-H145 VanDerWaalsContact C-N 3.26Å; F143-H145 PolarHBondContact O-N 3.15Å; H145-T148 WeakPolarHBondContact CA-OG1 3.15Å; H145-T148 PolarHBondContact O-OG1 3.29Å; H145-T148 VanDerWaalsContact O-OG1 3.11Å; H145-A149 VanDerWaalsContact O-CB 3.3Å; H145-A149 WeakPolarHBondContact O-CB 3.42Å; H145-A149 PolarHBondContact O-N 2.89Å; H145-F208 AromaticContact CE1-CD2 3.46Å; H145-F208 VanDerWaalsContact CE1-CD2 3.46Å; H145-F208 WeakPolarHBondContact CE1-CD2 3.49Å; H145-F208 AromaticContact CE1-CE2 3.06Å; H145-F208 WeakPolarHBondContact CE1-CE2 3.46Å; H145-F208 AromaticContact CE1-CZ 3.94Å; H145-F208 AromaticContact ND1-CE2 3.26Å; H145-F208 VanDerWaalsContact ND1-CE2 3.26Å; H145-F208 WeakPolarHBondContact ND1-CE2 3.45Å; H145-F208 AromaticContact ND1-CZ 3.72Å |
| 146 | D | 60.8 | Low | 57.3 | Low | 3 Ų | 3 | 77.3 Ų | 77.3 | 2% | 0.016 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -75 | -38.4 | -179.8 | -69.2 | -14.2 | 0 | 0 | 0 | 111.4 | R82 F143 L150 Y165 Y216 | R82-D146 IonicContact NH1-OD1 3.45Å; R82-D146 IonicContact NH1-OD2 3.15Å; F143-D146 HydrophobicContact CD1-CB 4.06Å; F143-D146 PolarHBondContact O-N 3.43Å; F143-D146 VanDerWaalsContact O-N 3.11Å; D146-L150 WeakPolarHBondContact O-CB 3.35Å; D146-L150 WeakPolarHBondContact O-CG 3.25Å; D146-L150 PolarHBondContact O-N 2.92Å; D146-Y165 HydrophobicContact CB-CE2 4.14Å; D146-Y165 VanDerWaalsContact CB-OH 3.32Å; D146-Y165 WeakPolarHBondContact CB-OH 3.36Å; D146-Y165 PolarHBondContact OD1-OH 3.42Å; D146-Y165 PolarHBondContact OD2-OH 2.91Å; D146-Y216 VanDerWaalsContact CG-OH 3.28Å; D146-Y216 PolarHBondContact OD1-OH 2.87Å; D146-Y216 PolarHBondContact OD2-OH 3.11Å |
| 147 | L | 55.2 | Low | 57.9 | Low | 69 Ų | 69 | 78.7 Ų | 78.7 | 36% | 0.361 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -70.4 | -41.1 | 174.7 | -76.9 | 164.1 | 0 | 0 | 0 | 111.4 | F143 L150 F151 | F143-L147 HydrophobicContact CB-CD1 3.65Å; F143-L147 HydrophobicContact CB-CG 4Å; F143-L147 WeakPolarHBondContact O-CB 3.25Å; F143-L147 WeakPolarHBondContact O-CG 3.18Å; F143-L147 PolarHBondContact O-N 3.42Å; L147-L150 PolarHBondContact O-N 3.08Å; L147-F151 VanDerWaalsContact O-CB 3.31Å; L147-F151 WeakPolarHBondContact O-CB 3.41Å; L147-F151 WeakPolarHBondContact O-CD2 3.26Å; L147-F151 PolarHBondContact O-N 2.99Å |
| 148 | T | 57.7 | Low | 58.1 | Low | 54 Ų | 54 | 76.6 Ų | 76.6 | 33% | 0.331 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -66.8 | -40.2 | 175.1 | 45.2 | 0 | 0 | 0 | 0 | 111.5 | Y144 H145 F151 N152 | Y144-T148 HydrophobicContact CD2-CG2 4.45Å; Y144-T148 HydrophobicContact CE1-CG2 4.24Å; Y144-T148 HydrophobicContact CE2-CG2 4.07Å; Y144-T148 WeakPolarHBondContact O-CB 3.12Å; Y144-T148 WeakPolarHBondContact O-CG2 3.17Å; Y144-T148 PolarHBondContact O-N 3.36Å; Y144-T148 PolarHBondContact O-OG1 2.51Å; H145-T148 WeakPolarHBondContact CA-OG1 3.15Å; H145-T148 PolarHBondContact O-OG1 3.29Å; H145-T148 VanDerWaalsContact O-OG1 3.11Å; T148-F151 PolarHBondContact O-N 3.33Å; T148-N152 WeakPolarHBondContact O-CB 3.3Å; T148-N152 PolarHBondContact O-N 3.07Å |
| 149 | A | 58.4 | Low | 58.2 | Low | 31 Ų | 31 | 79.5 Ų | 79.5 | 26% | 0.256 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62 | -42.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | H145 | H145-A149 VanDerWaalsContact O-CB 3.3Å; H145-A149 WeakPolarHBondContact O-CB 3.42Å; H145-A149 PolarHBondContact O-N 2.89Å |
| 150 | L | 54.5 | Low | 58.4 | Low | 31 Ų | 31 | 78.1 Ų | 78.1 | 16% | 0.162 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -58.6 | -59.4 | 169.5 | -81.7 | 164.3 | 0 | 0 | 0 | 109.5 | D146 L147 N152 Q153 R161 L162 | D146-L150 WeakPolarHBondContact O-CB 3.35Å; D146-L150 WeakPolarHBondContact O-CG 3.25Å; D146-L150 PolarHBondContact O-N 2.92Å; L147-L150 PolarHBondContact O-N 3.08Å; L150-N152 VanDerWaalsContact C-N 3.33Å; L150-N152 PolarHBondContact O-N 2.95Å; L150-Q153 PolarHBondContact O-N 3.23Å; L150-Q153 VanDerWaalsContact O-N 3.07Å; L150-R161 VanDerWaalsContact C-NH2 3.29Å; L150-R161 HydrophobicContact CD2-CB 3.74Å; L150-R161 PolarHBondContact O-NE 3.05Å; L150-R161 PolarHBondContact O-NH2 3.42Å; L150-L162 HydrophobicContact CD1-CD2 4.18Å; L150-L162 HydrophobicContact CD2-CD2 4.32Å; L150-L162 HydrophobicContact CD2-CG 4.21Å |
| 151 | F | 51.1 | Low | 58.7 | Low | 156 Ų | 156 | 75.3 Ų | 75.3 | 68% | 0.684 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -58 | -35.5 | -173.7 | -98.7 | -84.9 | 0 | 0 | 0 | 114.5 | L147 T148 Q153 S154 R161 | L147-F151 VanDerWaalsContact O-CB 3.31Å; L147-F151 WeakPolarHBondContact O-CB 3.41Å; L147-F151 WeakPolarHBondContact O-CD2 3.26Å; L147-F151 PolarHBondContact O-N 2.99Å; T148-F151 PolarHBondContact O-N 3.33Å; F151-Q153 PolarHBondContact O-N 2.98Å; F151-S154 PolarHBondContact O-N 3.32Å; F151-R161 VanDerWaalsContact C-NH2 3.29Å; F151-R161 PolarHBondContact O-NH2 3.3Å |
| 152 | N | 56.2 | Low | 58.6 | Low | 151 Ų | 151 | 74.4 Ų | 74.4 | 81% | 0.807 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -16 | 179.6 | -133.1 | 6.6 | 0 | 0 | 0 | 113.3 | T148 L150 S154 | T148-N152 WeakPolarHBondContact O-CB 3.3Å; T148-N152 PolarHBondContact O-N 3.07Å; L150-N152 VanDerWaalsContact C-N 3.33Å; L150-N152 PolarHBondContact O-N 2.95Å; N152-S154 VanDerWaalsContact C-N 3.3Å; N152-S154 PolarHBondContact O-N 3.22Å |
| 153 | Q | 58.3 | Low | 58.5 | Low | 76 Ų | 76 | 81.3 Ų | 81.3 | 36% | 0.355 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 40.8 | 171.2 | -63 | -175.8 | 4.9 | 0 | 0 | 112.5 | L150 F151 G155 R156 R161 | L150-Q153 PolarHBondContact O-N 3.23Å; L150-Q153 VanDerWaalsContact O-N 3.07Å; F151-Q153 PolarHBondContact O-N 2.98Å; Q153-G155 PolarHBondContact O-N 3.29Å; Q153-R156 PolarHBondContact O-N 2.95Å; Q153-R161 HydrophobicContact CB-CG 4.04Å; Q153-R161 VanDerWaalsContact O-CD 3.25Å; Q153-R161 WeakPolarHBondContact O-CD 3.29Å; Q153-R161 VanDerWaalsContact O-CZ 3.23Å; Q153-R161 PolarHBondContact O-NE 3.25Å; Q153-R161 VanDerWaalsContact O-NE 3.09Å |
| 154 | S | 52.1 | Low | 58.4 | Low | 99 Ų | 99 | 82.5 Ų | 82.5 | 69% | 0.692 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -18.6 | -171.4 | 62.2 | 0 | 0 | 0 | 0 | 115.4 | F151 N152 | F151-S154 PolarHBondContact O-N 3.32Å; N152-S154 VanDerWaalsContact C-N 3.3Å; N152-S154 PolarHBondContact O-N 3.22Å |
| 155 | G | 59.8 | Low | 58 | Low | 78 Ų | 78 | 77.1 Ų | 77.1 | 80% | 0.804 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -0.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 117 | Q153 | Q153-G155 PolarHBondContact O-N 3.29Š|
| 156 | R | 60.4 | Low | 57.6 | Low | 154 Ų | 154 | 78.7 Ų | 78.7 | 58% | 0.581 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -115.9 | 150.5 | -178.4 | -68.9 | -167.2 | -177.5 | -154.4 | 1.6 | 112.8 | Q153 R161 | Q153-R156 PolarHBondContact O-N 2.95Å; R156-R161 HydrophobicContact CB-CG 3.92Å; R156-R161 WeakPolarHBondContact O-CD 3.08Å |
| 157 | P | 66.5 | Low | 57.1 | Low | 94 Ų | 94 | 79 Ų | 79 | 61% | 0.61 | 44% | 0.436 | S | S | * | . | trans | -59.9 | 140.7 | 176 | 20.2 | -28.1 | 0 | 0 | 0 | 111 | A159 S160 R161 | P157-A159 VanDerWaalsContact C-N 3.27Å; P157-A159 PolarHBondContact O-N 3.41Å; P157-S160 WeakPolarHBondContact CD-OG 3.44Å; P157-S160 WeakPolarHBondContact CG-OG 3.14Å; P157-S160 WeakPolarHBondContact O-CA 3.39Å; P157-S160 WeakPolarHBondContact O-CB 3.25Å; P157-S160 PolarHBondContact O-N 3.39Å; P157-S160 PolarHBondContact O-OG 3.07Å; P157-R161 PolarHBondContact O-N 3.5Å; P157-R161 VanDerWaalsContact O-N 3.09Å | ||
| 158 | L | 59.7 | Low | 56.8 | Low | 118 Ų | 118 | 79.3 Ų | 79.3 | 62% | 0.618 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -56.9 | -38 | -171 | -173.6 | 136.2 | 0 | 0 | 0 | 113.1 | S160 R161 L162 | L158-S160 VanDerWaalsContact C-N 3.34Å; L158-S160 PolarHBondContact O-N 3.22Å; L158-R161 PolarHBondContact O-N 2.89Å; L158-R161 VanDerWaalsContact O-N 3.17Å; L158-L162 HydrophobicContact CD2-CD1 3.54Å; L158-L162 HydrophobicContact CD2-CG 4.47Å; L158-L162 HydrophobicContact CG-CD1 4.35Å; L158-L162 PolarHBondContact O-N 2.83Å |
| 159 | A | 56.3 | Low | 56.2 | Low | 77 Ų | 77 | 79 Ų | 79 | 64% | 0.636 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -59.8 | -42.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | P157 R161 W163 | P157-A159 VanDerWaalsContact C-N 3.27Å; P157-A159 PolarHBondContact O-N 3.41Å; A159-R161 VanDerWaalsContact C-N 3.35Å; A159-W163 WeakPolarHBondContact O-CB 3.28Å; A159-W163 PolarHBondContact O-N 2.93Å |
| 160 | S | 61.6 | Low | 55.6 | Low | 33 Ų | 33 | 78.6 Ų | 78.6 | 23% | 0.231 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -70 | -30.9 | 176.5 | 74.8 | 0 | 0 | 0 | 0 | 112.6 | P157 L158 N164 | P157-S160 WeakPolarHBondContact CD-OG 3.44Å; P157-S160 WeakPolarHBondContact CG-OG 3.14Å; P157-S160 WeakPolarHBondContact O-CA 3.39Å; P157-S160 WeakPolarHBondContact O-CB 3.25Å; P157-S160 PolarHBondContact O-N 3.39Å; P157-S160 PolarHBondContact O-OG 3.07Å; L158-S160 VanDerWaalsContact C-N 3.34Å; L158-S160 PolarHBondContact O-N 3.22Å; S160-N164 VanDerWaalsContact O-CB 3.27Å; S160-N164 WeakPolarHBondContact O-CB 3.31Å; S160-N164 PolarHBondContact O-N 3.47Å; S160-N164 PolarHBondContact O-ND2 3.2Å |
| 161 | R | 61.3 | Low | 54.8 | Low | 30 Ų | 30 | 78.6 Ų | 78.6 | 11% | 0.113 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -69.9 | -50.1 | 176.1 | -70.1 | 162.5 | 73.6 | 175 | 18.2 | 110.7 | L150 F151 Q153 R156 P157 L158 A159 W163 N164 Y165 | L150-R161 VanDerWaalsContact C-NH2 3.29Å; L150-R161 HydrophobicContact CD2-CB 3.74Å; L150-R161 PolarHBondContact O-NE 3.05Å; L150-R161 PolarHBondContact O-NH2 3.42Å; F151-R161 VanDerWaalsContact C-NH2 3.29Å; F151-R161 PolarHBondContact O-NH2 3.3Å; Q153-R161 HydrophobicContact CB-CG 4.04Å; Q153-R161 VanDerWaalsContact O-CD 3.25Å; Q153-R161 WeakPolarHBondContact O-CD 3.29Å; Q153-R161 VanDerWaalsContact O-CZ 3.23Å; Q153-R161 PolarHBondContact O-NE 3.25Å; Q153-R161 VanDerWaalsContact O-NE 3.09Å; R156-R161 HydrophobicContact CB-CG 3.92Å; R156-R161 WeakPolarHBondContact O-CD 3.08Å; P157-R161 PolarHBondContact O-N 3.5Å; P157-R161 VanDerWaalsContact O-N 3.09Å; L158-R161 PolarHBondContact O-N 2.89Å; L158-R161 VanDerWaalsContact O-N 3.17Å; A159-R161 VanDerWaalsContact C-N 3.35Å; R161-W163 VanDerWaalsContact C-N 3.28Å; R161-W163 PolarHBondContact O-N 3.41Å; R161-N164 PolarHBondContact O-N 2.98Å; R161-Y165 WeakPolarHBondContact O-CB 3.45Å; R161-Y165 PolarHBondContact O-N 3.5Å |
| 162 | L | 55.5 | Low | 54.3 | Low | 67 Ų | 67 | 74.8 Ų | 74.8 | 35% | 0.351 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -59.8 | -40.1 | 173 | -84 | 166.2 | 0 | 0 | 0 | 111.3 | L150 L158 Y165 L166 | L150-L162 HydrophobicContact CD1-CD2 4.18Å; L150-L162 HydrophobicContact CD2-CD2 4.32Å; L150-L162 HydrophobicContact CD2-CG 4.21Å; L158-L162 HydrophobicContact CD2-CD1 3.54Å; L158-L162 HydrophobicContact CD2-CG 4.47Å; L158-L162 HydrophobicContact CG-CD1 4.35Å; L158-L162 PolarHBondContact O-N 2.83Å; L162-Y165 PolarHBondContact O-N 3.3Å; L162-L166 VanDerWaalsContact O-CB 3.22Å; L162-L166 WeakPolarHBondContact O-CB 3.42Å; L162-L166 WeakPolarHBondContact O-CD1 3.31Å; L162-L166 WeakPolarHBondContact O-CG 3.41Å; L162-L166 PolarHBondContact O-N 3.36Å |
| 163 | W | 58.6 | Low | 53.6 | Low | 147 Ų | 147 | 76 Ų | 76 | 56% | 0.557 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -64 | -49.1 | 175.2 | -171.8 | -96 | 0 | 0 | 0 | 111.6 | W86 A159 R161 Y165 L166 C167 | W86-W163 AromaticContact CH2-CH2 3.89Å; W86-W163 HydrophobicContact CH2-CH2 3.89Å; W86-W163 HydrophobicContact CH2-CZ2 4.12Å; W86-W163 HydrophobicContact CH2-CZ3 4.48Å; A159-W163 WeakPolarHBondContact O-CB 3.28Å; A159-W163 PolarHBondContact O-N 2.93Å; R161-W163 VanDerWaalsContact C-N 3.28Å; R161-W163 PolarHBondContact O-N 3.41Å; W163-Y165 PolarHBondContact O-N 3.43Å; W163-L166 PolarHBondContact O-N 3.43Å; W163-C167 VanDerWaalsContact CD2-SG 3.54Å; W163-C167 VanDerWaalsContact O-CA 3.3Å; W163-C167 WeakPolarHBondContact O-CA 3.3Å; W163-C167 WeakPolarHBondContact O-CB 3.47Å; W163-C167 PolarHBondContact O-N 3.21Å; W163-C167 PolarHBondContact O-SG 3.06Å |
| 164 | N | 60.1 | Low | 52.9 | Low | 57 Ų | 57 | 74.8 Ų | 74.8 | 31% | 0.305 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.7 | -26.2 | 177.5 | -67.8 | -23.1 | 0 | 0 | 0 | 112.5 | S160 R161 E168 | S160-N164 VanDerWaalsContact O-CB 3.27Å; S160-N164 WeakPolarHBondContact O-CB 3.31Å; S160-N164 PolarHBondContact O-N 3.47Å; S160-N164 PolarHBondContact O-ND2 3.2Å; R161-N164 PolarHBondContact O-N 2.98Å; N164-E168 WeakPolarHBondContact O-CA 3.28Å; N164-E168 WeakPolarHBondContact O-CB 3.28Å; N164-E168 WeakPolarHBondContact O-CG 3.35Å; N164-E168 PolarHBondContact O-N 3.3Å |
| 165 | Y | 54.1 | Low | 52.9 | Low | 29 Ų | 29 | 79.1 Ų | 79.1 | 11% | 0.114 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -81.6 | -43.1 | 178.7 | 172.9 | -97.6 | 0 | 0 | 0 | 112.7 | R82 D146 R161 L162 W163 | R82-Y165 PolarHBondContact NH1-OH 3.41Å; R82-Y165 PolarHBondContact NH2-OH 3.07Å; R82-Y165 VanDerWaalsContact NH2-OH 3.12Å; D146-Y165 HydrophobicContact CB-CE2 4.14Å; D146-Y165 VanDerWaalsContact CB-OH 3.32Å; D146-Y165 WeakPolarHBondContact CB-OH 3.36Å; D146-Y165 PolarHBondContact OD1-OH 3.42Å; D146-Y165 PolarHBondContact OD2-OH 2.91Å; R161-Y165 WeakPolarHBondContact O-CB 3.45Å; R161-Y165 PolarHBondContact O-N 3.5Å; L162-Y165 PolarHBondContact O-N 3.3Å; W163-Y165 PolarHBondContact O-N 3.43Å |
| 166 | L | 50.9 | Low | 52.8 | Low | 98 Ų | 98 | 77.7 Ų | 77.7 | 51% | 0.513 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -71.4 | -41.9 | 174.7 | -73.3 | 166.5 | 0 | 0 | 0 | 111.1 | L162 W163 | L162-L166 VanDerWaalsContact O-CB 3.22Å; L162-L166 WeakPolarHBondContact O-CB 3.42Å; L162-L166 WeakPolarHBondContact O-CD1 3.31Å; L162-L166 WeakPolarHBondContact O-CG 3.41Å; L162-L166 PolarHBondContact O-N 3.36Å; W163-L166 PolarHBondContact O-N 3.43Å |
| 167 | C | 51 | Low | 52.6 | Low | 11 Ų | 11 | 72.3 Ų | 72.3 | 7% | 0.074 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 25.4 | 179.8 | -48.9 | 0 | 0 | 0 | 0 | 111.3 | W86 W163 N169 | W86-C167 HydrophobicContact CH2-CB 4.45Å; W86-C167 WeakPolarHBondContact CH2-SG 3.27Å; W86-C167 HydrophobicContact CZ2-CB 3.88Å; W86-C167 WeakPolarHBondContact CZ2-SG 3.35Å; W163-C167 VanDerWaalsContact CD2-SG 3.54Å; W163-C167 VanDerWaalsContact O-CA 3.3Å; W163-C167 WeakPolarHBondContact O-CA 3.3Å; W163-C167 WeakPolarHBondContact O-CB 3.47Å; W163-C167 PolarHBondContact O-N 3.21Å; W163-C167 PolarHBondContact O-SG 3.06Å; C167-N169 PolarHBondContact O-N 2.98Å; C167-N169 PolarHBondContact O-ND2 3.41Å |
| 168 | E | 49.4 | Very low | 52.5 | Low | 75 Ų | 75 | 75 Ų | 75 | 35% | 0.35 | 40% | 0.402 | S | S | . | . | trans | -63.7 | 78.8 | 174.6 | -150.2 | 178 | -148.4 | 0 | 0 | 107 | R83 N164 P170 | R83-E168 IonicContact NH2-OE2 2.71Å; N164-E168 WeakPolarHBondContact O-CA 3.28Å; N164-E168 WeakPolarHBondContact O-CB 3.28Å; N164-E168 WeakPolarHBondContact O-CG 3.35Å; N164-E168 PolarHBondContact O-N 3.3Å; E168-P170 WeakPolarHBondContact O-CD 3.42Å | ||
| 169 | N | 44.2 | Very low | 52.9 | Low | 48 Ų | 48 | 70.9 Ų | 70.9 | 26% | 0.257 | 38% | 0.379 | S | S | . | . | trans | -65.5 | 111.2 | 175.1 | -81.8 | -90.3 | 0 | 0 | 0 | 103.6 | K90 C167 A171 A172 | K90-N169 PolarHBondContact NZ-OD1 2.92Å; C167-N169 PolarHBondContact O-N 2.98Å; C167-N169 PolarHBondContact O-ND2 3.41Å; N169-A171 PolarHBondContact O-N 2.71Å; N169-A172 HydrophobicContact CB-CB 4.21Å; N169-A172 PolarHBondContact O-N 2.87Å | ||
| 170 | P | 45 | Very low | 53.6 | Low | 21 Ų | 21 | 71.7 Ų | 71.7 | 14% | 0.136 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -19.4 | 170 | -17.5 | 34.3 | 0 | 0 | 0 | 111.2 | E168 Q205 | E168-P170 WeakPolarHBondContact O-CD 3.42Å; P170-Q205 VanDerWaalsContact CA-NE2 3.25Å |
| 171 | A | 39.6 | Very low | 54.1 | Low | 31 Ų | 31 | 73 Ų | 73 | 26% | 0.256 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.6 | 53.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | N169 E173 | N169-A171 PolarHBondContact O-N 2.71Å; A171-E173 PolarHBondContact O-N 3.3Å |
| 172 | A | 39.8 | Very low | 54.8 | Low | 76 Ų | 76 | 72.6 Ų | 72.6 | 63% | 0.628 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -61.2 | 82 | 161 | 0 | 0 | 0 | 0 | 0 | 107.7 | N169 S174 | N169-A172 HydrophobicContact CB-CB 4.21Å; N169-A172 PolarHBondContact O-N 2.87Å; A172-S174 PolarHBondContact O-N 3.29Å |
| 173 | E | 40.6 | Very low | 55.8 | Low | 178 Ų | 178 | 72.9 Ų | 72.9 | 83% | 0.832 | 39% | 0.39 | S | S | * | . | trans | 26.3 | 48.3 | 167.7 | -67.5 | -178.1 | 153.3 | 0 | 0 | 114 | A171 K175 | A171-E173 PolarHBondContact O-N 3.3Å; E173-K175 PolarHBondContact O-N 3.45Å | ||
| 174 | S | 44.1 | Very low | 57 | Low | 50 Ų | 50 | 70.1 Ų | 70.1 | 35% | 0.35 | 38% | 0.384 | S | S | . | . | trans | -74.2 | 80.4 | 160.4 | 56.3 | 0 | 0 | 0 | 0 | 102.5 | A172 I176 R202 | A172-S174 PolarHBondContact O-N 3.29Å; S174-I176 PolarHBondContact O-N 3.43Å; S174-R202 PolarHBondContact OG-NH2 2.92Å; S174-R202 VanDerWaalsContact OG-NH2 3.1Å | ||
| 175 | K | 52 | Low | 58.1 | Low | 189 Ų | 189 | 67.7 Ų | 67.7 | 82% | 0.822 | 37% | 0.371 | S | S | * | . | trans | -42.3 | 107.7 | 153 | -82.9 | -179.7 | 175.8 | 176.8 | 0 | 103 | E173 P177 | E173-K175 PolarHBondContact O-N 3.45Å; K175-P177 WeakPolarHBondContact O-CD 3.44Å | ||
| 176 | I | 58.4 | Low | 59.7 | Low | 49 Ų | 49 | 70 Ų | 70 | 25% | 0.251 | 39% | 0.385 | S | S | . | . | trans | -43.2 | 114.5 | 177.6 | -65.3 | 164.4 | 0 | 0 | 0 | 103.9 | M21 S174 I178 Q264 | M21-I176 HydrophobicContact CE-CD1 3.87Å; M21-I176 HydrophobicContact SD-CD1 4.33Å; S174-I176 PolarHBondContact O-N 3.43Å; I176-I178 PolarHBondContact O-N 2.96Å; I176-Q264 HydrophobicContact CD1-CB 4.22Å | ||
| 177 | P | 56.5 | Low | 61.4 | Low | 41 Ų | 41 | 72.7 Ų | 72.7 | 27% | 0.266 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -53.3 | 125.8 | -169.2 | 11.8 | -23.1 | 0 | 0 | 0 | 106.8 | K175 H179 L195 Q268 | K175-P177 WeakPolarHBondContact O-CD 3.44Å; P177-H179 PolarHBondContact O-N 3.35Å; P177-H179 VanDerWaalsContact O-N 3.09Å; P177-L195 HydrophobicContact CG-CD2 3.82Å; P177-Q268 PolarHBondContact O-NE2 3.21Å; P177-Q268 PolarHBondContact O-OE1 2.87Å |
| 178 | I | 63.5 | Low | 63 | Low | 151 Ų | 151 | 72.3 Ų | 72.3 | 77% | 0.774 | 39% | 0.386 | S | S | * | . | P | Polyproline II helix | trans | -70.4 | 119.6 | -174 | -60.1 | 171.4 | 0 | 0 | 0 | 106.3 | I176 V180 | I176-I178 PolarHBondContact O-N 2.96Å; I178-V180 PolarHBondContact O-N 2.99Å |
| 179 | H | 68.9 | Low | 64.9 | Low | 30 Ų | 30 | 69.1 Ų | 69.1 | 14% | 0.139 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 122 | 173.5 | 175.4 | 63.4 | 0 | 0 | 0 | 109.3 | P177 C181 E191 Q268 H275 | P177-H179 PolarHBondContact O-N 3.35Å; P177-H179 VanDerWaalsContact O-N 3.09Å; H179-C181 PolarHBondContact NE2-SG 3.1Å; H179-E191 WeakPolarHBondContact CA-OE1 3.34Å; H179-E191 IonicContact CE1-OE1 2.78Å; H179-E191 IonicContact CE1-OE2 3.15Å; H179-E191 IonicContact CG-OE1 2.65Å; H179-E191 VanDerWaalsContact ND1-CD 3.35Å; H179-E191 IonicContact ND1-OE1 3.53Å; H179-E191 PolarHBondContact ND1-OE1 3.33Å; H179-E191 IonicContact ND1-OE2 3.9Å; H179-E191 PolarHBondContact ND1-OE2 2.9Å; H179-E191 VanDerWaalsContact ND1-OE2 3.15Å; H179-Q268 HydrophobicContact CB-CG 3.75Å; H179-H275 AromaticContact CE1-CD2 3.43Å; H179-H275 PolarHBondContact CE1-CD2 2.59Å; H179-H275 VanDerWaalsContact CE1-CD2 3.43Å; H179-H275 AromaticContact CE1-NE2 3.91Å; H179-H275 AromaticContact NE2-CD2 3.33Å; H179-H275 PolarHBondContact NE2-CD2 3.35Å; H179-H275 VanDerWaalsContact NE2-CD2 3.33Å; H179-H275 AromaticContact NE2-NE2 3.39Å; H179-H275 PolarHBondContact NE2-NE2 3.27Å |
| 180 | V | 69.6 | Low | 67 | Low | 94 Ų | 94 | 72.7 Ų | 72.7 | 57% | 0.57 | 39% | 0.386 | S | S | * | . | trans | -107.8 | 112.2 | 174.8 | -178.7 | 0 | 0 | 0 | 0 | 106.7 | I178 S182 | I178-V180 PolarHBondContact O-N 2.99Å; V180-S182 PolarHBondContact O-N 2.9Å | ||
| 181 | C | 73.4 | Confident | 69 | Low | 62 Ų | 62 | 73 Ų | 73 | 42% | 0.419 | 39% | 0.385 | S | S | . | . | trans | -63.2 | 89.6 | 173.2 | -59.7 | 0 | 0 | 0 | 0 | 109 | H179 | H179-C181 PolarHBondContact NE2-SG 3.1Š| ||
| 182 | S | 76.5 | Confident | 71.2 | Confident | 21 Ų | 21 | 71.6 Ų | 71.6 | 15% | 0.147 | 37% | 0.373 | C | S | . | . | trans | -96.2 | 146.9 | -177.8 | -177 | 0 | 0 | 0 | 0 | 110.1 | V180 E184 | V180-S182 PolarHBondContact O-N 2.9Å; S182-E184 PolarHBondContact OG-N 2.77Å; S182-E184 VanDerWaalsContact OG-N 3.1Å | ||
| 183 | V | 75.6 | Confident | 73.5 | Confident | 72 Ų | 72 | 71.1 Ų | 71.1 | 44% | 0.436 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -94.7 | -3.9 | 172.8 | -163.3 | 0 | 0 | 0 | 0 | 110.7 | L4 L300 | L4-V183 HydrophobicContact CD1-CG1 3.31Å; V183-L300 HydrophobicContact CG1-CD1 4.13Å; V183-L300 WeakPolarHBondContact O-CD1 3.07Å |
| 184 | E | 83.9 | Confident | 75.7 | Confident | 90 Ų | 90 | 66.9 Ų | 66.9 | 42% | 0.421 | 34% | 0.343 | S | S | . | . | trans | -94.6 | 119.8 | -177.4 | -169.8 | 171.7 | -164.8 | 0 | 0 | 111.1 | S182 N186 R187 I188 | S182-E184 PolarHBondContact OG-N 2.77Å; S182-E184 VanDerWaalsContact OG-N 3.1Å; E184-N186 VanDerWaalsContact C-N 3.3Å; E184-N186 PolarHBondContact O-N 3.33Å; E184-R187 HydrophobicContact CB-CB 4.42Å; E184-R187 HydrophobicContact CB-CG 4.41Å; E184-R187 PolarHBondContact O-N 2.92Å; E184-R187 WeakPolarHBondContact OE2-CD 3.44Å; E184-R187 IonicContact OE2-NE 3.69Å; E184-I188 PolarHBondContact O-N 3.31Å | ||
| 185 | P | 84 | Confident | 77.7 | Confident | 5 Ų | 5 | 64.5 Ų | 64.5 | 3% | 0.032 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.9 | -33.2 | -173.1 | 21.4 | -30.3 | 0 | 0 | 0 | 113.2 | R187 I188 R189 T298 L300 A322 | P185-R187 VanDerWaalsContact C-N 3.35Å; P185-R187 PolarHBondContact O-N 3.47Å; P185-I188 PolarHBondContact O-N 3.49Å; P185-R189 WeakPolarHBondContact O-CG 3.48Å; P185-R189 PolarHBondContact O-N 3.01Å; P185-T298 WeakPolarHBondContact CG-O 3.47Å; P185-L300 HydrophobicContact CB-CD2 4.26Å; P185-L300 HydrophobicContact CB-CG 4.44Å; P185-A322 HydrophobicContact CB-CB 4.18Å |
| 186 | N | 86.8 | Confident | 79.3 | Confident | 77 Ų | 77 | 57.2 Ų | 57.2 | 41% | 0.412 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.5 | -42 | 177.6 | -68.8 | -21.1 | 0 | 0 | 0 | 111.9 | E184 R189 E190 | E184-N186 VanDerWaalsContact C-N 3.3Å; E184-N186 PolarHBondContact O-N 3.33Å; N186-R189 PolarHBondContact O-N 2.77Å; N186-R189 PolarHBondContact OD1-NH1 3.44Å; N186-E190 WeakPolarHBondContact O-CB 3.49Å; N186-E190 PolarHBondContact O-N 2.87Å |
| 187 | R | 86.2 | Confident | 80.5 | Confident | 155 Ų | 155 | 59.7 Ų | 59.7 | 59% | 0.585 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -66.7 | -38.6 | 177.7 | -74 | -174.7 | 158.9 | 170.8 | -2.4 | 112.4 | E184 P185 E190 E191 | E184-R187 HydrophobicContact CB-CB 4.42Å; E184-R187 HydrophobicContact CB-CG 4.41Å; E184-R187 PolarHBondContact O-N 2.92Å; E184-R187 WeakPolarHBondContact OE2-CD 3.44Å; E184-R187 IonicContact OE2-NE 3.69Å; P185-R187 VanDerWaalsContact C-N 3.35Å; P185-R187 PolarHBondContact O-N 3.47Å; R187-E190 PolarHBondContact O-N 3.45Å; R187-E191 WeakPolarHBondContact O-CB 3.32Å; R187-E191 PolarHBondContact O-N 3.48Å |
| 188 | I | 85.9 | Confident | 81.8 | Confident | 3 Ų | 3 | 59.3 Ų | 59.3 | 2% | 0.015 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.3 | -43.8 | 176.4 | -62.6 | 167.2 | 0 | 0 | 0 | 110.5 | E184 P185 E191 A192 H275 L276 L300 A322 | E184-I188 PolarHBondContact O-N 3.31Å; P185-I188 PolarHBondContact O-N 3.49Å; I188-E191 PolarHBondContact O-N 2.94Å; I188-A192 WeakPolarHBondContact O-CB 3.39Å; I188-A192 PolarHBondContact O-N 2.85Å; I188-H275 HydrophobicContact CD1-CB 4.28Å; I188-H275 HydrophobicContact CG1-CB 4.48Å; I188-H275 HydrophobicContact CG2-CB 4.02Å; I188-L276 HydrophobicContact CG2-CB 4.25Å; I188-L276 HydrophobicContact CG2-CD1 4.17Å; I188-L300 HydrophobicContact CD1-CD2 4.15Å; I188-A322 HydrophobicContact CB-CB 4.17Å; I188-A322 HydrophobicContact CD1-CB 4.03Å; I188-A322 HydrophobicContact CG2-CB 3.97Å |
| 189 | R | 88.2 | Confident | 82.8 | Confident | 9 Ų | 9 | 53.6 Ų | 53.6 | 3% | 0.034 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.6 | -41.7 | 177 | -69.9 | 176.4 | -171.7 | 132.8 | 18.5 | 112.1 | P185 N186 A192 N193 L276 D297 A322 | P185-R189 WeakPolarHBondContact O-CG 3.48Å; P185-R189 PolarHBondContact O-N 3.01Å; N186-R189 PolarHBondContact O-N 2.77Å; N186-R189 PolarHBondContact OD1-NH1 3.44Å; R189-A192 PolarHBondContact O-N 3.06Å; R189-N193 WeakPolarHBondContact O-CB 3.42Å; R189-N193 PolarHBondContact O-N 3.45Å; R189-N193 PolarHBondContact O-ND2 3.44Å; R189-L276 HydrophobicContact CG-CD1 4.43Å; R189-D297 IonicContact CZ-OD1 3.38Å; R189-D297 PolarHBondContact NH1-O 2.98Å; R189-D297 IonicContact NH1-OD1 2.66Å; R189-D297 PolarHBondContact NH1-OD1 2.99Å; R189-D297 PolarHBondContact NH2-O 2.85Å; R189-D297 VanDerWaalsContact NH2-O 3.11Å; R189-D297 IonicContact NH2-OD1 3.96Å; R189-A322 PolarHBondContact NE-O 3.39Å; R189-A322 PolarHBondContact NH2-O 3.2Å |
| 190 | E | 87.9 | Confident | 83.6 | Confident | 123 Ų | 123 | 59.2 Ų | 59.2 | 58% | 0.575 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -64 | -45.8 | 177.8 | -171.6 | 173.1 | -166.4 | 0 | 0 | 111.3 | N186 R187 A192 N193 I194 | N186-E190 WeakPolarHBondContact O-CB 3.49Å; N186-E190 PolarHBondContact O-N 2.87Å; R187-E190 PolarHBondContact O-N 3.45Å; E190-A192 PolarHBondContact O-N 2.79Å; E190-N193 PolarHBondContact O-N 2.9Å; E190-I194 HydrophobicContact CG-CD1 4.07Å; E190-I194 VanDerWaalsContact O-CG1 3.3Å; E190-I194 WeakPolarHBondContact O-CG1 3.44Å; E190-I194 PolarHBondContact O-N 3.01Å |
| 191 | E | 86.7 | Confident | 84 | Confident | 28 Ų | 28 | 58.7 Ų | 58.7 | 13% | 0.131 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.9 | -46.8 | 174 | -173.5 | -176.2 | 174.2 | 0 | 0 | 111.5 | H179 R187 I188 N193 I194 L195 | H179-E191 WeakPolarHBondContact CA-OE1 3.34Å; H179-E191 IonicContact CE1-OE1 2.78Å; H179-E191 IonicContact CE1-OE2 3.15Å; H179-E191 IonicContact CG-OE1 2.65Å; H179-E191 VanDerWaalsContact ND1-CD 3.35Å; H179-E191 IonicContact ND1-OE1 3.53Å; H179-E191 PolarHBondContact ND1-OE1 3.33Å; H179-E191 IonicContact ND1-OE2 3.9Å; H179-E191 PolarHBondContact ND1-OE2 2.9Å; H179-E191 VanDerWaalsContact ND1-OE2 3.15Å; R187-E191 WeakPolarHBondContact O-CB 3.32Å; R187-E191 PolarHBondContact O-N 3.48Å; I188-E191 PolarHBondContact O-N 2.94Å; E191-N193 PolarHBondContact O-N 3.2Å; E191-I194 PolarHBondContact O-N 2.87Å; E191-L195 HydrophobicContact CG-CD1 4.14Å; E191-L195 WeakPolarHBondContact O-CB 3.34Å; E191-L195 WeakPolarHBondContact O-CG 3.12Å; E191-L195 PolarHBondContact O-N 3.49Å |
| 192 | A | 87.6 | Confident | 84.5 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.1 | -44.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | I188 R189 E190 L195 V196 L276 | I188-A192 WeakPolarHBondContact O-CB 3.39Å; I188-A192 PolarHBondContact O-N 2.85Å; R189-A192 PolarHBondContact O-N 3.06Å; E190-A192 PolarHBondContact O-N 2.79Å; A192-L195 PolarHBondContact O-N 3.27Å; A192-V196 VanDerWaalsContact O-CG2 3.27Å; A192-V196 WeakPolarHBondContact O-CG2 3.23Å; A192-V196 PolarHBondContact O-N 3.28Å; A192-L276 HydrophobicContact CB-CD1 4.14Å; A192-L276 HydrophobicContact CB-CD2 3.88Å |
| 193 | N | 87.6 | Confident | 84.8 | Confident | 67 Ų | 67 | 60 Ų | 60 | 36% | 0.358 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.6 | -41.4 | 179.1 | -70.6 | -16.6 | 0 | 0 | 0 | 111.7 | R189 E190 E191 V196 I197 | R189-N193 WeakPolarHBondContact O-CB 3.42Å; R189-N193 PolarHBondContact O-N 3.45Å; R189-N193 PolarHBondContact O-ND2 3.44Å; E190-N193 PolarHBondContact O-N 2.9Å; E191-N193 PolarHBondContact O-N 3.2Å; N193-V196 PolarHBondContact O-N 2.94Å; N193-I197 VanDerWaalsContact O-CG1 3.32Å; N193-I197 WeakPolarHBondContact O-CG1 3.43Å; N193-I197 PolarHBondContact O-N 3.37Å; N193-I197 VanDerWaalsContact O-N 3.14Å |
| 194 | I | 87 | Confident | 84.9 | Confident | 89 Ų | 89 | 62.9 Ų | 62.9 | 46% | 0.456 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62 | -45.8 | 175.3 | -67.8 | 165.6 | 0 | 0 | 0 | 110.3 | E190 E191 V196 I197 D198 | E190-I194 HydrophobicContact CG-CD1 4.07Å; E190-I194 VanDerWaalsContact O-CG1 3.3Å; E190-I194 WeakPolarHBondContact O-CG1 3.44Å; E190-I194 PolarHBondContact O-N 3.01Å; E191-I194 PolarHBondContact O-N 2.87Å; I194-V196 PolarHBondContact O-N 3.41Å; I194-I197 PolarHBondContact O-N 3.03Å; I194-D198 PolarHBondContact O-N 3.35Å |
| 195 | L | 86.1 | Confident | 84.7 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.8 | -39.8 | 178.4 | -76.7 | 173.7 | 0 | 0 | 0 | 112.6 | P177 E191 A192 I197 D198 V199 L265 C272 F333 | P177-L195 HydrophobicContact CG-CD2 3.82Å; E191-L195 HydrophobicContact CG-CD1 4.14Å; E191-L195 WeakPolarHBondContact O-CB 3.34Å; E191-L195 WeakPolarHBondContact O-CG 3.12Å; E191-L195 PolarHBondContact O-N 3.49Å; A192-L195 PolarHBondContact O-N 3.27Å; L195-I197 VanDerWaalsContact C-N 3.34Å; L195-I197 PolarHBondContact O-N 3.45Å; L195-D198 PolarHBondContact O-N 2.88Å; L195-V199 WeakPolarHBondContact O-CB 3.46Å; L195-V199 VanDerWaalsContact O-CG2 3.24Å; L195-V199 WeakPolarHBondContact O-CG2 3.26Å; L195-V199 PolarHBondContact O-N 3.48Å; L195-L265 HydrophobicContact CD2-CD1 4.19Å; L195-C272 HydrophobicContact CD1-CB 3.67Å; L195-F333 HydrophobicContact CB-CE2 3.89Å; L195-F333 HydrophobicContact CB-CZ 3.89Å; L195-F333 HydrophobicContact CD1-CZ 4.04Å |
| 196 | V | 85.6 | Confident | 84.8 | Confident | 35 Ų | 35 | 60.3 Ų | 60.3 | 21% | 0.212 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59 | -47.1 | 175.2 | 167.5 | 0 | 0 | 0 | 0 | 111.1 | A192 N193 I194 D198 V199 Y200 F333 | A192-V196 VanDerWaalsContact O-CG2 3.27Å; A192-V196 WeakPolarHBondContact O-CG2 3.23Å; A192-V196 PolarHBondContact O-N 3.28Å; N193-V196 PolarHBondContact O-N 2.94Å; I194-V196 PolarHBondContact O-N 3.41Å; V196-D198 VanDerWaalsContact C-N 3.34Å; V196-V199 PolarHBondContact O-N 3.48Å; V196-Y200 WeakPolarHBondContact O-CB 3.37Å; V196-Y200 PolarHBondContact O-N 2.98Å; V196-F333 HydrophobicContact CG2-CB 3.6Å; V196-F333 HydrophobicContact CG2-CD2 3.38Å; V196-F333 HydrophobicContact CG2-CE2 4.21Å; V196-F333 HydrophobicContact CG2-CG 3.64Å |
| 197 | I | 83.7 | Confident | 84.7 | Confident | 102 Ų | 102 | 59.2 Ų | 59.2 | 52% | 0.523 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.9 | -42.5 | 179.4 | -65.8 | 165 | 0 | 0 | 0 | 110.3 | N193 I194 L195 Y200 N201 | N193-I197 VanDerWaalsContact O-CG1 3.32Å; N193-I197 WeakPolarHBondContact O-CG1 3.43Å; N193-I197 PolarHBondContact O-N 3.37Å; N193-I197 VanDerWaalsContact O-N 3.14Å; I194-I197 PolarHBondContact O-N 3.03Å; L195-I197 VanDerWaalsContact C-N 3.34Å; L195-I197 PolarHBondContact O-N 3.45Å; I197-Y200 PolarHBondContact O-N 2.91Å; I197-N201 WeakPolarHBondContact O-CB 3.06Å; I197-N201 VanDerWaalsContact O-CG 3.26Å; I197-N201 PolarHBondContact O-N 2.99Å; I197-N201 PolarHBondContact O-ND2 3.3Å |
| 198 | D | 84.2 | Confident | 84.5 | Confident | 33 Ų | 33 | 54.1 Ų | 54.1 | 18% | 0.176 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.6 | -47.4 | 178.1 | -170.2 | 46.2 | 0 | 0 | 0 | 111.9 | I194 L195 V196 Y200 N201 R202 | I194-D198 PolarHBondContact O-N 3.35Å; L195-D198 PolarHBondContact O-N 2.88Å; V196-D198 VanDerWaalsContact C-N 3.34Å; D198-Y200 VanDerWaalsContact C-N 3.33Å; D198-Y200 PolarHBondContact O-N 3.01Å; D198-N201 PolarHBondContact O-N 2.79Å; D198-R202 VanDerWaalsContact O-CG 3.31Å; D198-R202 WeakPolarHBondContact O-CG 3.03Å; D198-R202 PolarHBondContact O-N 3.2Å; D198-R202 IonicContact OD1-CZ 3.17Å; D198-R202 IonicContact OD1-NE 3.15Å; D198-R202 PolarHBondContact OD1-NE 3.48Å; D198-R202 IonicContact OD1-NH2 3.98Å; D198-R202 IonicContact OD2-CZ 3.43Å; D198-R202 VanDerWaalsContact OD2-CZ 3.26Å; D198-R202 IonicContact OD2-NE 3.66Å; D198-R202 PolarHBondContact OD2-NE 3.38Å; D198-R202 IonicContact OD2-NH2 3.17Å; D198-R202 PolarHBondContact OD2-NH2 2.94Å |
| 199 | V | 84.5 | Confident | 84.3 | Confident | 30 Ų | 30 | 54 Ų | 54 | 18% | 0.182 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.4 | -44.3 | 176 | 166.4 | 0 | 0 | 0 | 0 | 111.3 | L195 V196 R202 F203 F261 M269 | L195-V199 WeakPolarHBondContact O-CB 3.46Å; L195-V199 VanDerWaalsContact O-CG2 3.24Å; L195-V199 WeakPolarHBondContact O-CG2 3.26Å; L195-V199 PolarHBondContact O-N 3.48Å; V196-V199 PolarHBondContact O-N 3.48Å; V199-R202 PolarHBondContact O-N 3.49Å; V199-F203 WeakPolarHBondContact O-CB 3.46Å; V199-F203 PolarHBondContact O-N 3.06Å; V199-F261 HydrophobicContact CB-CE1 4.42Å; V199-F261 HydrophobicContact CG1-CE1 3.89Å; V199-F261 HydrophobicContact CG1-CZ 4.08Å; V199-F261 HydrophobicContact CG2-CE1 4.15Å; V199-M269 HydrophobicContact CG2-CE 4.44Å; V199-M269 HydrophobicContact CG2-CG 4.42Å; V199-M269 HydrophobicContact CG2-SD 3.59Å; V199-M269 VanDerWaalsContact CG2-SD 3.59Å |
| 200 | Y | 83.8 | Confident | 84.4 | Confident | 149 Ų | 149 | 53.6 Ų | 53.6 | 58% | 0.584 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -62.8 | -43.5 | 177.8 | -179.5 | -100.5 | 0 | 0 | 0 | 111.9 | V196 I197 D198 F203 K204 | V196-Y200 WeakPolarHBondContact O-CB 3.37Å; V196-Y200 PolarHBondContact O-N 2.98Å; I197-Y200 PolarHBondContact O-N 2.91Å; D198-Y200 VanDerWaalsContact C-N 3.33Å; D198-Y200 PolarHBondContact O-N 3.01Å; Y200-F203 PolarHBondContact O-N 3.04Å; Y200-K204 WeakPolarHBondContact O-CB 3.42Å; Y200-K204 PolarHBondContact O-N 3.29Å |
| 201 | N | 78.2 | Confident | 84.3 | Confident | 83 Ų | 83 | 53 Ų | 53 | 44% | 0.444 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.5 | -43.3 | 177.8 | -72.7 | -28.5 | 0 | 0 | 0 | 111.8 | I197 D198 F203 K204 Q205 | I197-N201 WeakPolarHBondContact O-CB 3.06Å; I197-N201 VanDerWaalsContact O-CG 3.26Å; I197-N201 PolarHBondContact O-N 2.99Å; I197-N201 PolarHBondContact O-ND2 3.3Å; D198-N201 PolarHBondContact O-N 2.79Å; N201-F203 VanDerWaalsContact C-N 3.34Å; N201-F203 PolarHBondContact O-N 2.84Å; N201-K204 PolarHBondContact O-N 3.06Å; N201-Q205 WeakPolarHBondContact O-CB 3.21Å; N201-Q205 PolarHBondContact O-N 3.11Å |
| 202 | R | 84.7 | Confident | 84.1 | Confident | 23 Ų | 23 | 52.4 Ų | 52.4 | 9% | 0.087 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.9 | -42 | 174.9 | -71.3 | 173.9 | -170 | -94.3 | -9.4 | 112 | S174 D198 V199 Q205 S206 L260 F261 | S174-R202 PolarHBondContact OG-NH2 2.92Å; S174-R202 VanDerWaalsContact OG-NH2 3.1Å; D198-R202 VanDerWaalsContact O-CG 3.31Å; D198-R202 WeakPolarHBondContact O-CG 3.03Å; D198-R202 PolarHBondContact O-N 3.2Å; D198-R202 IonicContact OD1-CZ 3.17Å; D198-R202 IonicContact OD1-NE 3.15Å; D198-R202 PolarHBondContact OD1-NE 3.48Å; D198-R202 IonicContact OD1-NH2 3.98Å; D198-R202 IonicContact OD2-CZ 3.43Å; D198-R202 VanDerWaalsContact OD2-CZ 3.26Å; D198-R202 IonicContact OD2-NE 3.66Å; D198-R202 PolarHBondContact OD2-NE 3.38Å; D198-R202 IonicContact OD2-NH2 3.17Å; D198-R202 PolarHBondContact OD2-NH2 2.94Å; V199-R202 PolarHBondContact O-N 3.49Å; R202-Q205 WeakPolarHBondContact O-CB 2.97Å; R202-Q205 PolarHBondContact O-N 3.34Å; R202-S206 PolarHBondContact O-N 2.9Å; R202-L260 HydrophobicContact CB-CB 4.17Å; R202-L260 HydrophobicContact CB-CD1 4.37Å; R202-L260 WeakPolarHBondContact CD-O 3.34Å; R202-L260 HydrophobicContact CG-CB 4.37Å; R202-L260 PolarHBondContact NH1-O 3.42Å; R202-L260 VanDerWaalsContact O-CD1 3.24Å; R202-L260 WeakPolarHBondContact O-CD1 3.39Å; R202-F261 HydrophobicContact CB-CE2 4.21Å; R202-F261 HydrophobicContact CB-CZ 4.2Å |
| 203 | F | 82.8 | Confident | 84.2 | Confident | 88 Ų | 88 | 52.7 Ų | 52.7 | 39% | 0.386 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -68.1 | -42.1 | 177.5 | -169.4 | -92.1 | 0 | 0 | 0 | 112.5 | V199 Y200 N201 Q205 S206 L207 F253 | V199-F203 WeakPolarHBondContact O-CB 3.46Å; V199-F203 PolarHBondContact O-N 3.06Å; Y200-F203 PolarHBondContact O-N 3.04Å; N201-F203 VanDerWaalsContact C-N 3.34Å; N201-F203 PolarHBondContact O-N 2.84Å; F203-Q205 PolarHBondContact O-N 2.74Å; F203-S206 PolarHBondContact O-N 3.29Å; F203-S206 PolarHBondContact O-OG 2.84Å; F203-L207 HydrophobicContact CD1-CD1 3.89Å; F203-L207 HydrophobicContact CD1-CG 4.33Å; F203-L207 HydrophobicContact CE1-CD1 3.57Å; F203-L207 HydrophobicContact CE1-CG 4.04Å; F203-L207 PolarHBondContact O-N 3.36Å; F203-F253 HydrophobicContact CD2-CE2 4.47Å; F203-F253 HydrophobicContact CD2-CZ 4.25Å; F203-F253 AromaticContact CE2-CE2 4Å; F203-F253 HydrophobicContact CE2-CE2 4Å; F203-F253 AromaticContact CE2-CZ 3.47Å; F203-F253 HydrophobicContact CE2-CZ 3.47Å; F203-F253 VanDerWaalsContact CE2-CZ 3.47Å; F203-F253 HydrophobicContact CZ-CE2 4.06Å; F203-F253 AromaticContact CZ-CZ 3.67Å; F203-F253 HydrophobicContact CZ-CZ 3.67Å |
| 204 | K | 78 | Confident | 84.4 | Confident | 132 Ų | 132 | 49.8 Ų | 49.8 | 57% | 0.574 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -59.7 | -39.7 | 173.8 | -176.6 | 179.2 | 177.5 | -177.1 | 0 | 111 | Y200 N201 L207 F208 | Y200-K204 WeakPolarHBondContact O-CB 3.42Å; Y200-K204 PolarHBondContact O-N 3.29Å; N201-K204 PolarHBondContact O-N 3.06Å; K204-L207 PolarHBondContact O-N 2.97Å; K204-F208 WeakPolarHBondContact O-CB 3.48Å; K204-F208 PolarHBondContact O-N 3.49Å |
| 205 | Q | 80 | Confident | 84.5 | Confident | 41 Ų | 41 | 47.8 Ų | 47.8 | 19% | 0.192 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.5 | -43.2 | 177 | -177.8 | 171.2 | 42 | 0 | 0 | 112.6 | P170 N201 R202 F203 L207 F208 A209 L260 | P170-Q205 VanDerWaalsContact CA-NE2 3.25Å; N201-Q205 WeakPolarHBondContact O-CB 3.21Å; N201-Q205 PolarHBondContact O-N 3.11Å; R202-Q205 WeakPolarHBondContact O-CB 2.97Å; R202-Q205 PolarHBondContact O-N 3.34Å; F203-Q205 PolarHBondContact O-N 2.74Å; Q205-L207 VanDerWaalsContact C-N 3.31Å; Q205-L207 PolarHBondContact O-N 3.37Å; Q205-F208 PolarHBondContact O-N 3.44Å; Q205-A209 VanDerWaalsContact O-CB 3.3Å; Q205-A209 WeakPolarHBondContact O-CB 3.03Å; Q205-A209 PolarHBondContact O-N 2.84Å; Q205-L260 HydrophobicContact CB-CD1 4.18Å; Q205-L260 HydrophobicContact CG-CD1 4.15Å |
| 206 | S | 85.4 | Confident | 84.5 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.8 | -38.9 | 176.8 | 65.2 | 0 | 0 | 0 | 0 | 111.9 | R202 F203 A210 F253 | R202-S206 PolarHBondContact O-N 2.9Å; F203-S206 PolarHBondContact O-N 3.29Å; F203-S206 PolarHBondContact O-OG 2.84Å; S206-A210 WeakPolarHBondContact O-CB 3.27Å; S206-A210 PolarHBondContact O-N 2.82Å; S206-F253 VanDerWaalsContact OG-CE2 3.26Å; S206-F253 WeakPolarHBondContact OG-CE2 3.42Å |
| 207 | L | 84.3 | Confident | 84.8 | Confident | 54 Ų | 54 | 46.3 Ų | 46.3 | 28% | 0.283 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.7 | -52.8 | 173.4 | -78.3 | 175.4 | 0 | 0 | 0 | 112.1 | F203 K204 Q205 A209 A210 F211 F249 F253 | F203-L207 HydrophobicContact CD1-CD1 3.89Å; F203-L207 HydrophobicContact CD1-CG 4.33Å; F203-L207 HydrophobicContact CE1-CD1 3.57Å; F203-L207 HydrophobicContact CE1-CG 4.04Å; F203-L207 PolarHBondContact O-N 3.36Å; K204-L207 PolarHBondContact O-N 2.97Å; Q205-L207 VanDerWaalsContact C-N 3.31Å; Q205-L207 PolarHBondContact O-N 3.37Å; L207-A209 VanDerWaalsContact C-N 3.26Å; L207-A209 PolarHBondContact O-N 3.5Å; L207-A210 PolarHBondContact O-N 3.21Å; L207-F211 WeakPolarHBondContact O-CD2 3.3Å; L207-F211 PolarHBondContact O-N 2.91Å; L207-F249 HydrophobicContact CD2-CZ 3.96Å; L207-F253 HydrophobicContact CD2-CD2 3.87Å; L207-F253 HydrophobicContact CD2-CE2 3.71Å; L207-F253 HydrophobicContact CG-CD2 4.28Å; L207-F253 HydrophobicContact CG-CE2 3.89Å |
| 208 | F | 81.7 | Confident | 85.2 | Confident | 48 Ų | 48 | 41.5 Ų | 41.5 | 21% | 0.211 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -56.2 | -45.6 | 179.3 | 177.9 | -86.5 | 0 | 0 | 0 | 110.8 | H145 K204 Q205 A210 F211 T212 | H145-F208 AromaticContact CE1-CD2 3.46Å; H145-F208 VanDerWaalsContact CE1-CD2 3.46Å; H145-F208 WeakPolarHBondContact CE1-CD2 3.49Å; H145-F208 AromaticContact CE1-CE2 3.06Å; H145-F208 WeakPolarHBondContact CE1-CE2 3.46Å; H145-F208 AromaticContact CE1-CZ 3.94Å; H145-F208 AromaticContact ND1-CE2 3.26Å; H145-F208 VanDerWaalsContact ND1-CE2 3.26Å; H145-F208 WeakPolarHBondContact ND1-CE2 3.45Å; H145-F208 AromaticContact ND1-CZ 3.72Å; K204-F208 WeakPolarHBondContact O-CB 3.48Å; K204-F208 PolarHBondContact O-N 3.49Å; Q205-F208 PolarHBondContact O-N 3.44Å; F208-A210 PolarHBondContact O-N 3.27Å; F208-F211 PolarHBondContact O-N 3.49Å; F208-T212 HydrophobicContact CD1-CG2 4.02Å; F208-T212 HydrophobicContact CE1-CG2 3.62Å; F208-T212 HydrophobicContact CZ-CG2 3.92Å; F208-T212 WeakPolarHBondContact O-CG2 3.4Å; F208-T212 PolarHBondContact O-N 3.41Å; F208-T212 PolarHBondContact O-OG1 3.49Å |
| 209 | A | 82.5 | Confident | 85.4 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.4 | -44.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q205 L207 F211 T212 T213 Y256 | Q205-A209 VanDerWaalsContact O-CB 3.3Å; Q205-A209 WeakPolarHBondContact O-CB 3.03Å; Q205-A209 PolarHBondContact O-N 2.84Å; L207-A209 VanDerWaalsContact C-N 3.26Å; L207-A209 PolarHBondContact O-N 3.5Å; A209-F211 VanDerWaalsContact C-N 3.34Å; A209-F211 PolarHBondContact O-N 3.5Å; A209-T212 WeakPolarHBondContact CA-OG1 3.5Å; A209-T212 PolarHBondContact O-N 2.93Å; A209-T212 PolarHBondContact O-OG1 2.92Å; A209-T213 PolarHBondContact O-N 2.78Å; A209-T213 PolarHBondContact O-OG1 3.38Å; A209-T213 VanDerWaalsContact O-OG1 3.1Å; A209-Y256 HydrophobicContact CB-CD1 4.16Å; A209-Y256 HydrophobicContact CB-CD2 3.53Å; A209-Y256 HydrophobicContact CB-CE1 3.93Å; A209-Y256 HydrophobicContact CB-CE2 3.22Å; A209-Y256 HydrophobicContact CB-CG 3.98Å; A209-Y256 VanDerWaalsContact CB-CZ 3.44Å |
| 210 | A | 89.3 | Confident | 85.4 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.7 | -43.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | S206 L207 F208 T213 V214 F249 A252 F253 | S206-A210 WeakPolarHBondContact O-CB 3.27Å; S206-A210 PolarHBondContact O-N 2.82Å; L207-A210 PolarHBondContact O-N 3.21Å; F208-A210 PolarHBondContact O-N 3.27Å; A210-T213 PolarHBondContact O-N 2.7Å; A210-V214 VanDerWaalsContact O-CG2 3.3Å; A210-V214 WeakPolarHBondContact O-CG2 3.49Å; A210-V214 PolarHBondContact O-N 3.46Å; A210-F249 HydrophobicContact CB-CD2 3.86Å; A210-F249 HydrophobicContact CB-CE2 3.81Å; A210-F249 HydrophobicContact CB-CZ 4.48Å; A210-A252 HydrophobicContact CB-CB 4.26Å; A210-F253 HydrophobicContact CB-CB 3.77Å |
| 211 | F | 86.9 | Confident | 85.5 | Confident | 112 Ų | 112 | 35.8 Ų | 35.8 | 49% | 0.491 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -61.4 | -46.7 | 175.2 | -78.4 | -62.3 | 0 | 0 | 0 | 111.8 | L207 F208 A209 T213 V214 Y215 F249 | L207-F211 WeakPolarHBondContact O-CD2 3.3Å; L207-F211 PolarHBondContact O-N 2.91Å; F208-F211 PolarHBondContact O-N 3.49Å; A209-F211 VanDerWaalsContact C-N 3.34Å; A209-F211 PolarHBondContact O-N 3.5Å; F211-T213 PolarHBondContact O-N 3.24Å; F211-V214 PolarHBondContact O-N 3.38Å; F211-Y215 VanDerWaalsContact O-CB 3.25Å; F211-Y215 WeakPolarHBondContact O-CB 3.12Å; F211-Y215 PolarHBondContact O-N 3.27Å; F211-F249 HydrophobicContact CD1-CD2 4.15Å; F211-F249 AromaticContact CD1-CE2 3.69Å; F211-F249 HydrophobicContact CD1-CE2 3.69Å; F211-F249 AromaticContact CD2-CE2 3.99Å; F211-F249 HydrophobicContact CD2-CE2 3.99Å; F211-F249 HydrophobicContact CE1-CD2 4.18Å; F211-F249 AromaticContact CE1-CE2 3.53Å; F211-F249 HydrophobicContact CE1-CE2 3.53Å; F211-F249 HydrophobicContact CE1-CZ 4.17Å; F211-F249 AromaticContact CE2-CE2 3.83Å; F211-F249 HydrophobicContact CE2-CE2 3.83Å; F211-F249 HydrophobicContact CE2-CZ 4.1Å; F211-F249 AromaticContact CG-CE2 3.91Å; F211-F249 HydrophobicContact CG-CE2 3.91Å; F211-F249 AromaticContact CZ-CE2 3.59Å; F211-F249 HydrophobicContact CZ-CE2 3.59Å; F211-F249 AromaticContact CZ-CZ 3.84Å; F211-F249 HydrophobicContact CZ-CZ 3.84Å |
| 212 | T | 83.2 | Confident | 85.8 | Confident | 15 Ų | 15 | 33.6 Ų | 33.6 | 9% | 0.092 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63 | -41.2 | 178.2 | 56.5 | 0 | 0 | 0 | 0 | 112.3 | F208 A209 V214 Y215 Y216 | F208-T212 HydrophobicContact CD1-CG2 4.02Å; F208-T212 HydrophobicContact CE1-CG2 3.62Å; F208-T212 HydrophobicContact CZ-CG2 3.92Å; F208-T212 WeakPolarHBondContact O-CG2 3.4Å; F208-T212 PolarHBondContact O-N 3.41Å; F208-T212 PolarHBondContact O-OG1 3.49Å; A209-T212 WeakPolarHBondContact CA-OG1 3.5Å; A209-T212 PolarHBondContact O-N 2.93Å; A209-T212 PolarHBondContact O-OG1 2.92Å; T212-V214 PolarHBondContact O-N 2.78Å; T212-Y215 WeakPolarHBondContact O-CB 3.29Å; T212-Y215 PolarHBondContact O-N 3.33Å; T212-Y216 WeakPolarHBondContact O-CD2 3.49Å; T212-Y216 PolarHBondContact O-N 3.44Å |
| 213 | T | 89.3 | Confident | 85.7 | Confident | 6 Ų | 6 | 35.7 Ų | 35.7 | 4% | 0.037 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.9 | -48.3 | 177.1 | -60 | 0 | 0 | 0 | 0 | 111.3 | A209 A210 F211 Y215 A217 V248 A252 | A209-T213 PolarHBondContact O-N 2.78Å; A209-T213 PolarHBondContact O-OG1 3.38Å; A209-T213 VanDerWaalsContact O-OG1 3.1Å; A210-T213 PolarHBondContact O-N 2.7Å; F211-T213 PolarHBondContact O-N 3.24Å; T213-Y215 VanDerWaalsContact C-N 3.29Å; T213-Y215 PolarHBondContact O-N 2.98Å; T213-A217 WeakPolarHBondContact O-CB 3.37Å; T213-A217 PolarHBondContact O-N 3.12Å; T213-V248 HydrophobicContact CG2-CG1 4.2Å; T213-A252 HydrophobicContact CG2-CB 4.17Å |
| 214 | V | 91.7 | Very high | 85.5 | Confident | 6 Ų | 6 | 33.7 Ų | 33.7 | 4% | 0.036 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.7 | -41.5 | 177.1 | 171.2 | 0 | 0 | 0 | 0 | 111 | A210 F211 T212 V218 F219 T245 V248 F249 | A210-V214 VanDerWaalsContact O-CG2 3.3Å; A210-V214 WeakPolarHBondContact O-CG2 3.49Å; A210-V214 PolarHBondContact O-N 3.46Å; F211-V214 PolarHBondContact O-N 3.38Å; T212-V214 PolarHBondContact O-N 2.78Å; V214-V218 WeakPolarHBondContact O-CA 3.3Å; V214-V218 VanDerWaalsContact O-CB 3.28Å; V214-V218 WeakPolarHBondContact O-CB 3.49Å; V214-V218 PolarHBondContact O-N 3.23Å; V214-F219 HydrophobicContact CG1-CD2 3.83Å; V214-F219 HydrophobicContact CG1-CE2 3.64Å; V214-F219 PolarHBondContact O-N 3.4Å; V214-T245 HydrophobicContact CG1-CG2 3.63Å; V214-V248 HydrophobicContact CG2-CB 4.17Å; V214-V248 HydrophobicContact CG2-CG1 3.83Å; V214-F249 VanDerWaalsContact CG2-CA 3.49Å; V214-F249 HydrophobicContact CG2-CB 3.73Å; V214-F249 HydrophobicContact CG2-CD2 4.27Å |
| 215 | Y | 87.7 | Confident | 85.5 | Confident | 47 Ų | 47 | 28.6 Ų | 28.6 | 18% | 0.184 | 15% | 0.147 | C | C | . | . | I | π-helix | trans | -59.2 | -57.2 | -179.5 | -170.6 | -108.9 | 0 | 0 | 0 | 111.9 | L141 F211 T212 T213 F219 I220 | L141-Y215 WeakPolarHBondContact CA-OH 3.36Å; L141-Y215 WeakPolarHBondContact CB-OH 3.44Å; L141-Y215 VanDerWaalsContact O-CE1 3.3Å; L141-Y215 WeakPolarHBondContact O-CE1 3.2Å; L141-Y215 VanDerWaalsContact O-CZ 3.26Å; L141-Y215 PolarHBondContact O-OH 3.29Å; F211-Y215 VanDerWaalsContact O-CB 3.25Å; F211-Y215 WeakPolarHBondContact O-CB 3.12Å; F211-Y215 PolarHBondContact O-N 3.27Å; T212-Y215 WeakPolarHBondContact O-CB 3.29Å; T212-Y215 PolarHBondContact O-N 3.33Å; T213-Y215 VanDerWaalsContact C-N 3.29Å; T213-Y215 PolarHBondContact O-N 2.98Å; Y215-F219 HydrophobicContact CD2-CB 4.22Å; Y215-F219 HydrophobicContact CD2-CD2 4.42Å; Y215-F219 WeakPolarHBondContact O-CB 3.21Å; Y215-F219 PolarHBondContact O-N 3.48Å; Y215-I220 HydrophobicContact CD1-CD1 4.5Å; Y215-I220 HydrophobicContact CD1-CG1 4.48Å; Y215-I220 HydrophobicContact CE1-CD1 3.87Å; Y215-I220 HydrophobicContact CE1-CG1 4.32Å; Y215-I220 WeakPolarHBondContact O-CG1 3.24Å; Y215-I220 PolarHBondContact O-N 2.83Å |
| 216 | Y | 87.7 | Confident | 85 | Confident | 4 Ų | 4 | 28.9 Ų | 28.9 | 2% | 0.016 | 15% | 0.152 | C | C | . | . | I | π-helix | trans | -72.7 | -39 | -177.1 | -70.3 | -62.8 | 0 | 0 | 0 | 112.9 | V76 I79 L142 D146 T212 I220 | V76-Y216 VanDerWaalsContact CG1-O 3.29Å; V76-Y216 WeakPolarHBondContact CG1-O 3.42Å; I79-Y216 HydrophobicContact CD1-CD1 4.46Å; I79-Y216 HydrophobicContact CD1-CE1 4.03Å; I79-Y216 HydrophobicContact CG2-CD1 4.02Å; I79-Y216 HydrophobicContact CG2-CD2 3.96Å; I79-Y216 HydrophobicContact CG2-CE1 3.81Å; I79-Y216 HydrophobicContact CG2-CE2 3.75Å; I79-Y216 HydrophobicContact CG2-CG 4.12Å; L142-Y216 HydrophobicContact CD2-CD1 4.33Å; L142-Y216 HydrophobicContact CD2-CE1 4.18Å; L142-Y216 VanDerWaalsContact O-CE1 3.28Å; L142-Y216 WeakPolarHBondContact O-CE1 2.88Å; L142-Y216 PolarHBondContact O-OH 2.8Å; D146-Y216 VanDerWaalsContact CG-OH 3.28Å; D146-Y216 PolarHBondContact OD1-OH 2.87Å; D146-Y216 PolarHBondContact OD2-OH 3.11Å; T212-Y216 WeakPolarHBondContact O-CD2 3.49Å; T212-Y216 PolarHBondContact O-N 3.44Å; Y216-I220 HydrophobicContact CD1-CG1 4.2Å |
| 217 | A | 92.1 | Very high | 84 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | I | π-helix | trans | -84.7 | -28.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | V39 L80 T213 | V39-A217 HydrophobicContact CB-CB 4.2Å; V39-A217 HydrophobicContact CG1-CB 3.7Å; L80-A217 HydrophobicContact CD1-CB 4.46Å; T213-A217 WeakPolarHBondContact O-CB 3.37Å; T213-A217 PolarHBondContact O-N 3.12Å |
| 218 | V | 91.9 | Very high | 82.5 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | I | π-helix | trans | -113.1 | -54.8 | -174.7 | -173.6 | 0 | 0 | 0 | 0 | 111.8 | V39 V214 P221 C222 V241 L244 V248 | V39-V218 HydrophobicContact CG1-CG2 3.88Å; V214-V218 WeakPolarHBondContact O-CA 3.3Å; V214-V218 VanDerWaalsContact O-CB 3.28Å; V214-V218 WeakPolarHBondContact O-CB 3.49Å; V214-V218 PolarHBondContact O-N 3.23Å; V218-P221 WeakPolarHBondContact O-CD 3.16Å; V218-C222 PolarHBondContact O-N 3.47Å; V218-C222 PolarHBondContact O-SG 3.36Å; V218-V241 HydrophobicContact CG1-CG1 4.31Å; V218-L244 HydrophobicContact CG1-CD2 4.16Å; V218-L244 HydrophobicContact CG2-CD2 4.27Å; V218-L244 HydrophobicContact CG2-CG 4.41Å; V218-V248 HydrophobicContact CG2-CB 4.34Å; V218-V248 HydrophobicContact CG2-CG1 4.33Å; V218-V248 HydrophobicContact CG2-CG2 4.16Å |
| 219 | F | 87.1 | Confident | 81.2 | Confident | 91 Ų | 91 | 43.7 Ų | 43.7 | 40% | 0.399 | 22% | 0.218 | S | C | . | . | I | π-helix | trans | -70.4 | -45.4 | -173 | -78.2 | -71.9 | 0 | 0 | 0 | 112.7 | V214 Y215 C222 S223 T245 | V214-F219 HydrophobicContact CG1-CD2 3.83Å; V214-F219 HydrophobicContact CG1-CE2 3.64Å; V214-F219 PolarHBondContact O-N 3.4Å; Y215-F219 HydrophobicContact CD2-CB 4.22Å; Y215-F219 HydrophobicContact CD2-CD2 4.42Å; Y215-F219 WeakPolarHBondContact O-CB 3.21Å; Y215-F219 PolarHBondContact O-N 3.48Å; F219-C222 VanDerWaalsContact O-CB 3.32Å; F219-C222 WeakPolarHBondContact O-CB 3.35Å; F219-C222 PolarHBondContact O-N 2.83Å; F219-S223 PolarHBondContact O-N 3.47Å; F219-S223 VanDerWaalsContact O-N 3.09Å; F219-S223 PolarHBondContact O-OG 3.49Å; F219-T245 HydrophobicContact CE2-CG2 4.06Å; F219-T245 HydrophobicContact CZ-CG2 4.16Å |
| 220 | I | 85.3 | Confident | 79.7 | Confident | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57 | -51.8 | -178.4 | -65.1 | -56.6 | 0 | 0 | 0 | 112.3 | V72 V76 L142 Y215 Y216 C222 S223 F224 | V72-I220 HydrophobicContact CG1-CG2 4.03Å; V76-I220 HydrophobicContact CG2-CB 4.25Å; V76-I220 HydrophobicContact CG2-CG2 3.56Å; L142-I220 HydrophobicContact CD2-CB 4.47Å; L142-I220 HydrophobicContact CD2-CD1 3.58Å; L142-I220 HydrophobicContact CD2-CG1 3.72Å; L142-I220 HydrophobicContact CD2-CG2 3.92Å; L142-I220 HydrophobicContact CG-CD1 3.77Å; L142-I220 HydrophobicContact CG-CG1 4.46Å; Y215-I220 HydrophobicContact CD1-CD1 4.5Å; Y215-I220 HydrophobicContact CD1-CG1 4.48Å; Y215-I220 HydrophobicContact CE1-CD1 3.87Å; Y215-I220 HydrophobicContact CE1-CG1 4.32Å; Y215-I220 WeakPolarHBondContact O-CG1 3.24Å; Y215-I220 PolarHBondContact O-N 2.83Å; Y216-I220 HydrophobicContact CD1-CG1 4.2Å; I220-C222 PolarHBondContact O-N 2.99Å; I220-S223 WeakPolarHBondContact O-CB 3.38Å; I220-S223 PolarHBondContact O-N 2.85Å; I220-F224 HydrophobicContact CG2-CD2 4.08Å; I220-F224 HydrophobicContact CG2-CE2 3.99Å; I220-F224 WeakPolarHBondContact O-CD2 3.47Å; I220-F224 PolarHBondContact O-N 2.94Å |
| 221 | P | 86.5 | Confident | 77.9 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.4 | -33.4 | 176.1 | -26.1 | 34 | 0 | 0 | 0 | 113.9 | L40 Q43 Y44 L47 V218 A225 | L40-P221 HydrophobicContact CD1-CG 3.57Å; Q43-P221 HydrophobicContact CG-CB 3.84Å; Q43-P221 HydrophobicContact CG-CG 4.14Å; Y44-P221 HydrophobicContact CD2-CB 4.45Å; Y44-P221 HydrophobicContact CD2-CG 4.44Å; Y44-P221 HydrophobicContact CE2-CB 3.98Å; Y44-P221 HydrophobicContact CE2-CG 3.83Å; L47-P221 HydrophobicContact CD1-CB 3.75Å; L47-P221 WeakPolarHBondContact CD1-O 3.35Å; V218-P221 WeakPolarHBondContact O-CD 3.16Å; P221-A225 PolarHBondContact O-N 2.97Å |
| 222 | C | 84.4 | Confident | 76.3 | Confident | 37 Ų | 37 | 54.3 Ų | 54.3 | 25% | 0.25 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.2 | -38.9 | 176 | -65.5 | 0 | 0 | 0 | 0 | 112.3 | Q43 V218 F219 I220 F224 A225 | Q43-C222 PolarHBondContact NE2-SG 3.13Å; V218-C222 PolarHBondContact O-N 3.47Å; V218-C222 PolarHBondContact O-SG 3.36Å; F219-C222 VanDerWaalsContact O-CB 3.32Å; F219-C222 WeakPolarHBondContact O-CB 3.35Å; F219-C222 PolarHBondContact O-N 2.83Å; I220-C222 PolarHBondContact O-N 2.99Å; C222-F224 VanDerWaalsContact C-N 3.26Å; C222-F224 PolarHBondContact O-N 3.16Å; C222-A225 WeakPolarHBondContact O-CB 3.15Å; C222-A225 PolarHBondContact O-N 2.9Å |
| 223 | S | 81.1 | Confident | 75.3 | Confident | 66 Ų | 66 | 58 Ų | 58 | 46% | 0.462 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.9 | -32.2 | -178.4 | -50.9 | 0 | 0 | 0 | 0 | 112.9 | F219 I220 | F219-S223 PolarHBondContact O-N 3.47Å; F219-S223 VanDerWaalsContact O-N 3.09Å; F219-S223 PolarHBondContact O-OG 3.49Å; I220-S223 WeakPolarHBondContact O-CB 3.38Å; I220-S223 PolarHBondContact O-N 2.85Å |
| 224 | F | 79.9 | Confident | 74.3 | Confident | 46 Ų | 46 | 61.4 Ų | 61.4 | 20% | 0.202 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -1.7 | -179.8 | -70.7 | -84.6 | 0 | 0 | 0 | 113.3 | V72 V133 C136 A138 L142 I220 C222 | V72-F224 HydrophobicContact CG1-CD2 3.84Å; V72-F224 HydrophobicContact CG1-CE2 3.99Å; V72-F224 HydrophobicContact CG1-CG 4.35Å; V72-F224 HydrophobicContact CG2-CD1 3.97Å; V72-F224 HydrophobicContact CG2-CD2 4.22Å; V72-F224 HydrophobicContact CG2-CE1 3.91Å; V72-F224 HydrophobicContact CG2-CE2 4.17Å; V72-F224 HydrophobicContact CG2-CG 4.13Å; V72-F224 HydrophobicContact CG2-CZ 4Å; V133-F224 HydrophobicContact CG1-CE1 4.2Å; V133-F224 HydrophobicContact CG1-CZ 3.84Å; C136-F224 HydrophobicContact CB-CE1 4.35Å; A138-F224 HydrophobicContact CB-CE1 4.01Å; A138-F224 HydrophobicContact CB-CE2 3.83Å; A138-F224 HydrophobicContact CB-CZ 3.37Å; L142-F224 HydrophobicContact CD1-CE2 4.46Å; L142-F224 HydrophobicContact CD1-CZ 4.46Å; I220-F224 HydrophobicContact CG2-CD2 4.08Å; I220-F224 HydrophobicContact CG2-CE2 3.99Å; I220-F224 WeakPolarHBondContact O-CD2 3.47Å; I220-F224 PolarHBondContact O-N 2.94Å; C222-F224 VanDerWaalsContact C-N 3.26Å; C222-F224 PolarHBondContact O-N 3.16Å |
| 225 | A | 76.8 | Confident | 73.6 | Confident | 26 Ų | 26 | 70.7 Ų | 70.7 | 22% | 0.215 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -70.8 | 131.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L47 P221 C222 V227 | L47-A225 HydrophobicContact CD1-CB 4.36Å; L47-A225 HydrophobicContact CD2-CB 3.84Å; P221-A225 PolarHBondContact O-N 2.97Å; C222-A225 WeakPolarHBondContact O-CB 3.15Å; C222-A225 PolarHBondContact O-N 2.9Å; A225-V227 PolarHBondContact O-N 3.05Å |
| 226 | P | 70.6 | Confident | 73.1 | Confident | 47 Ų | 47 | 70.7 Ų | 70.7 | 31% | 0.305 | 37% | 0.373 | S | S | . | . | trans | -65.5 | 126.2 | -175.7 | 17.6 | -25.8 | 0 | 0 | 0 | 112.8 | Y48 M67 R228 Q229 | Y48-P226 HydrophobicContact CE1-CG 4.48Å; M67-P226 HydrophobicContact CE-CB 4.4Å; M67-P226 HydrophobicContact CE-CG 3.57Å; P226-R228 PolarHBondContact O-N 3.48Å; P226-Q229 PolarHBondContact O-N 3.47Å | ||
| 227 | V | 63.4 | Low | 72.5 | Confident | 120 Ų | 120 | 74.2 Ų | 74.2 | 73% | 0.727 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -51.8 | -30 | -174.3 | -177.5 | 0 | 0 | 0 | 0 | 113.6 | A225 Q229 A230 | A225-V227 PolarHBondContact O-N 3.05Å; V227-Q229 PolarHBondContact O-N 3.42Å; V227-A230 WeakPolarHBondContact O-CA 3.32Å; V227-A230 WeakPolarHBondContact O-CB 3.23Å; V227-A230 PolarHBondContact O-N 3.32Å |
| 228 | R | 52.6 | Low | 72.1 | Confident | 243 Ų | 243 | 81 Ų | 81 | 92% | 0.917 | 42% | 0.422 | S | S | * | . | G | 310 helix | trans | -62.6 | -27.4 | -179.6 | -72.8 | -174 | -171.1 | 124.5 | 2.4 | 113.7 | P226 A230 | P226-R228 PolarHBondContact O-N 3.48Å; R228-A230 VanDerWaalsContact C-N 3.34Å |
| 229 | Q | 54.8 | Low | 71.8 | Confident | 50 Ų | 50 | 85.8 Ų | 85.8 | 23% | 0.234 | 45% | 0.447 | C | S | . | . | G | 310 helix | trans | -78.4 | -21.5 | 171.6 | -68.9 | -176 | -3.4 | 0 | 0 | 112.2 | L47 P226 V227 S231 K237 | L47-Q229 PolarHBondContact O-OE1 3.13Å; P226-Q229 PolarHBondContact O-N 3.47Å; V227-Q229 PolarHBondContact O-N 3.42Å; Q229-S231 VanDerWaalsContact C-N 3.33Å; Q229-S231 PolarHBondContact O-N 2.97Å; Q229-K237 PolarHBondContact O-NZ 2.91Å |
| 230 | A | 51.6 | Low | 71.7 | Confident | 43 Ų | 43 | 82.4 Ų | 82.4 | 36% | 0.355 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -26.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | V227 R228 Q232 S234 | V227-A230 WeakPolarHBondContact O-CA 3.32Å; V227-A230 WeakPolarHBondContact O-CB 3.23Å; V227-A230 PolarHBondContact O-N 3.32Å; R228-A230 VanDerWaalsContact C-N 3.34Å; A230-Q232 PolarHBondContact O-N 3.42Å; A230-S234 WeakPolarHBondContact O-CB 3.34Å; A230-S234 PolarHBondContact O-N 2.85Å |
| 231 | S | 51.2 | Low | 71.9 | Confident | 109 Ų | 109 | 83.7 Ų | 83.7 | 76% | 0.762 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -31 | -167.6 | -168.8 | 0 | 0 | 0 | 0 | 115.6 | Q229 | Q229-S231 VanDerWaalsContact C-N 3.33Å; Q229-S231 PolarHBondContact O-N 2.97Å |
| 232 | Q | 54 | Low | 72.1 | Confident | 182 Ų | 182 | 90.3 Ų | 90.3 | 85% | 0.85 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -9.8 | -167.8 | -156.6 | 168.2 | 0.5 | 0 | 0 | 114.2 | A230 | A230-Q232 PolarHBondContact O-N 3.42Š|
| 233 | N | 61.1 | Low | 72.4 | Confident | 94 Ų | 94 | 89.8 Ų | 89.8 | 50% | 0.503 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -158.6 | 46 | -178.9 | -107.6 | -12.9 | 0 | 0 | 0 | 112.1 | R235 S236 K237 | N233-R235 VanDerWaalsContact C-N 3.31Å; N233-R235 PolarHBondContact O-N 3.17Å; N233-S236 WeakPolarHBondContact CB-OG 3.37Å; N233-S236 PolarHBondContact O-N 2.95Å; N233-S236 PolarHBondContact O-OG 3.35Å; N233-S236 VanDerWaalsContact O-OG 3.11Å; N233-K237 WeakPolarHBondContact O-CG 3.39Å; N233-K237 PolarHBondContact O-N 3.12Å; N233-K237 VanDerWaalsContact O-N 3.14Å |
| 234 | S | 69.8 | Low | 72.9 | Confident | 76 Ų | 76 | 86.9 Ų | 86.9 | 53% | 0.531 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -57.3 | -40.5 | -172.7 | -173.1 | 0 | 0 | 0 | 0 | 113 | A230 K237 M238 | A230-S234 WeakPolarHBondContact O-CB 3.34Å; A230-S234 PolarHBondContact O-N 2.85Å; S234-K237 PolarHBondContact O-N 3.12Å; S234-M238 WeakPolarHBondContact O-CB 3.37Å; S234-M238 PolarHBondContact O-N 3.1Å |
| 235 | R | 75.9 | Confident | 73.6 | Confident | 202 Ų | 202 | 85.8 Ų | 85.8 | 76% | 0.762 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -66 | -47.5 | -179.8 | -172.8 | 178.9 | 173.6 | 98.1 | -0.7 | 113.2 | N233 K237 M238 L239 | N233-R235 VanDerWaalsContact C-N 3.31Å; N233-R235 PolarHBondContact O-N 3.17Å; R235-K237 VanDerWaalsContact C-N 3.31Å; R235-K237 PolarHBondContact O-N 3.34Å; R235-M238 PolarHBondContact O-N 3.04Å; R235-L239 HydrophobicContact CG-CD1 4.27Å; R235-L239 WeakPolarHBondContact O-CG 3.24Å; R235-L239 PolarHBondContact O-N 3.35Å |
| 236 | S | 76.4 | Confident | 74.4 | Confident | 47 Ų | 47 | 86.1 Ų | 86.1 | 33% | 0.329 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -66.6 | -35.9 | -179.7 | 56.8 | 0 | 0 | 0 | 0 | 111.7 | N233 Y240 | N233-S236 WeakPolarHBondContact CB-OG 3.37Å; N233-S236 PolarHBondContact O-N 2.95Å; N233-S236 PolarHBondContact O-OG 3.35Å; N233-S236 VanDerWaalsContact O-OG 3.11Å; S236-Y240 WeakPolarHBondContact O-CB 3.4Å; S236-Y240 PolarHBondContact O-N 3.05Å |
| 237 | K | 77.1 | Confident | 75.5 | Confident | 77 Ų | 77 | 84 Ų | 84 | 34% | 0.335 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.5 | -45.4 | 172.3 | -71 | -177.8 | 175.8 | -159.8 | 0 | 112.4 | Q229 N233 S234 R235 L239 Y240 V241 | Q229-K237 PolarHBondContact O-NZ 2.91Å; N233-K237 WeakPolarHBondContact O-CG 3.39Å; N233-K237 PolarHBondContact O-N 3.12Å; N233-K237 VanDerWaalsContact O-N 3.14Å; S234-K237 PolarHBondContact O-N 3.12Å; R235-K237 VanDerWaalsContact C-N 3.31Å; R235-K237 PolarHBondContact O-N 3.34Å; K237-L239 VanDerWaalsContact C-N 3.35Å; K237-L239 PolarHBondContact O-N 3.32Å; K237-Y240 PolarHBondContact O-N 3.23Å; K237-V241 WeakPolarHBondContact O-CG2 3.3Å; K237-V241 PolarHBondContact O-N 3.22Å |
| 238 | M | 82.4 | Confident | 77 | Confident | 143 Ų | 143 | 78.3 Ų | 78.3 | 70% | 0.704 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -63.7 | -41.7 | 179.4 | -168.6 | 173.5 | -142.2 | 0 | 0 | 111.8 | S234 R235 Y240 V241 F242 | S234-M238 WeakPolarHBondContact O-CB 3.37Å; S234-M238 PolarHBondContact O-N 3.1Å; R235-M238 PolarHBondContact O-N 3.04Å; M238-Y240 VanDerWaalsContact C-N 3.35Å; M238-V241 PolarHBondContact O-N 3.02Å; M238-F242 VanDerWaalsContact O-CB 3.27Å; M238-F242 WeakPolarHBondContact O-CB 3.41Å; M238-F242 PolarHBondContact O-N 3.34Å |
| 239 | L | 85.2 | Confident | 79 | Confident | 100 Ų | 100 | 68.4 Ų | 68.4 | 52% | 0.524 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63 | -41.4 | 174.6 | -70 | 172 | 0 | 0 | 0 | 111.7 | R235 K237 F242 S243 | R235-L239 HydrophobicContact CG-CD1 4.27Å; R235-L239 WeakPolarHBondContact O-CG 3.24Å; R235-L239 PolarHBondContact O-N 3.35Å; K237-L239 VanDerWaalsContact C-N 3.35Å; K237-L239 PolarHBondContact O-N 3.32Å; L239-F242 PolarHBondContact O-N 3.11Å; L239-S243 WeakPolarHBondContact O-CB 3.21Å; L239-S243 PolarHBondContact O-N 3.27Å; L239-S243 PolarHBondContact O-OG 3.04Å |
| 240 | Y | 86.6 | Confident | 80.8 | Confident | 20 Ų | 20 | 70.1 Ų | 70.1 | 8% | 0.078 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.2 | -52 | 175 | 175.9 | -97.3 | 0 | 0 | 0 | 111.7 | N46 S236 K237 M238 F242 S243 L244 H366 | N46-Y240 HydrophobicContact CB-CD1 4.43Å; N46-Y240 HydrophobicContact CB-CE1 3.68Å; N46-Y240 VanDerWaalsContact CG-CZ 3.45Å; N46-Y240 VanDerWaalsContact CG-OH 3.26Å; N46-Y240 PolarHBondContact ND2-OH 2.74Å; S236-Y240 WeakPolarHBondContact O-CB 3.4Å; S236-Y240 PolarHBondContact O-N 3.05Å; K237-Y240 PolarHBondContact O-N 3.23Å; M238-Y240 VanDerWaalsContact C-N 3.35Å; Y240-F242 VanDerWaalsContact C-N 3.28Å; Y240-F242 PolarHBondContact O-N 2.7Å; Y240-S243 WeakPolarHBondContact CA-OG 3.13Å; Y240-S243 PolarHBondContact O-N 2.83Å; Y240-S243 VanDerWaalsContact O-N 3.09Å; Y240-S243 PolarHBondContact O-OG 3.39Å; Y240-L244 HydrophobicContact CE1-CB 4.27Å; Y240-L244 HydrophobicContact CE1-CD2 4.06Å; Y240-L244 WeakPolarHBondContact O-CB 3.3Å; Y240-L244 PolarHBondContact O-N 2.95Å; Y240-H366 HydrophobicContact CD2-CB 4.46Å; Y240-H366 AromaticContact CD2-CD2 3.39Å; Y240-H366 WeakPolarHBondContact CD2-CD2 3.46Å; Y240-H366 AromaticContact CD2-CE1 3.69Å; Y240-H366 AromaticContact CD2-CG 3.66Å; Y240-H366 AromaticContact CD2-ND1 3.81Å; Y240-H366 AromaticContact CD2-NE2 3.46Å; Y240-H366 WeakPolarHBondContact CD2-NE2 3.26Å; Y240-H366 HydrophobicContact CE2-CB 4.3Å; Y240-H366 AromaticContact CE2-CD2 3.45Å; Y240-H366 VanDerWaalsContact CE2-CD2 3.45Å; Y240-H366 WeakPolarHBondContact CE2-CD2 3.1Å; Y240-H366 AromaticContact CE2-CG 3.83Å; Y240-H366 AromaticContact CE2-NE2 3.97Å; Y240-H366 AromaticContact CG-CD2 3.96Å; Y240-H366 AromaticContact CG-CE1 3.89Å; Y240-H366 AromaticContact CG-NE2 3.57Å |
| 241 | V | 89 | Confident | 82.9 | Confident | 30 Ų | 30 | 68.2 Ų | 68.2 | 18% | 0.182 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59 | -43.5 | 179.4 | 172.6 | 0 | 0 | 0 | 0 | 110.3 | V218 K237 M238 S243 L244 T245 | V218-V241 HydrophobicContact CG1-CG1 4.31Å; K237-V241 WeakPolarHBondContact O-CG2 3.3Å; K237-V241 PolarHBondContact O-N 3.22Å; M238-V241 PolarHBondContact O-N 3.02Å; V241-S243 PolarHBondContact O-N 3.3Å; V241-L244 PolarHBondContact O-N 2.76Å; V241-T245 VanDerWaalsContact O-CB 3.24Å; V241-T245 WeakPolarHBondContact O-CB 3.39Å; V241-T245 PolarHBondContact O-N 3.35Å; V241-T245 PolarHBondContact O-OG1 3.35Å; V241-T245 VanDerWaalsContact O-OG1 3.04Å |
| 242 | F | 89.7 | Confident | 84.8 | Confident | 139 Ų | 139 | 63 Ų | 63 | 61% | 0.61 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -59.1 | -47.8 | 174.5 | -180 | -99.2 | 0 | 0 | 0 | 111.8 | M238 L239 Y240 L244 T245 S246 | M238-F242 VanDerWaalsContact O-CB 3.27Å; M238-F242 WeakPolarHBondContact O-CB 3.41Å; M238-F242 PolarHBondContact O-N 3.34Å; L239-F242 PolarHBondContact O-N 3.11Å; Y240-F242 VanDerWaalsContact C-N 3.28Å; Y240-F242 PolarHBondContact O-N 2.7Å; F242-L244 PolarHBondContact O-N 3.18Å; F242-T245 WeakPolarHBondContact O-CB 3.43Å; F242-T245 PolarHBondContact O-N 2.86Å; F242-S246 PolarHBondContact O-N 3.44Å; F242-S246 PolarHBondContact O-OG 3.4Å |
| 243 | S | 91.1 | Very high | 86.6 | Confident | 25 Ų | 25 | 55 Ų | 55 | 18% | 0.175 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.1 | -42.5 | 179.1 | 71.9 | 0 | 0 | 0 | 0 | 112.5 | L239 Y240 V241 S246 V247 | L239-S243 WeakPolarHBondContact O-CB 3.21Å; L239-S243 PolarHBondContact O-N 3.27Å; L239-S243 PolarHBondContact O-OG 3.04Å; Y240-S243 WeakPolarHBondContact CA-OG 3.13Å; Y240-S243 PolarHBondContact O-N 2.83Å; Y240-S243 VanDerWaalsContact O-N 3.09Å; Y240-S243 PolarHBondContact O-OG 3.39Å; V241-S243 PolarHBondContact O-N 3.3Å; S243-S246 PolarHBondContact O-N 3.07Å; S243-V247 WeakPolarHBondContact O-CB 3.24Å; S243-V247 VanDerWaalsContact O-CG2 3.3Å; S243-V247 WeakPolarHBondContact O-CG2 3.44Å; S243-V247 PolarHBondContact O-N 2.88Å |
| 244 | L | 92.5 | Very high | 88.1 | Confident | 5 Ų | 5 | 50.8 Ų | 50.8 | 3% | 0.026 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.1 | -44.7 | 177.3 | -175.7 | 70.1 | 0 | 0 | 0 | 110.6 | Q43 V218 Y240 V241 F242 S246 V247 V248 L373 | Q43-L244 HydrophobicContact CB-CD2 4.43Å; V218-L244 HydrophobicContact CG1-CD2 4.16Å; V218-L244 HydrophobicContact CG2-CD2 4.27Å; V218-L244 HydrophobicContact CG2-CG 4.41Å; Y240-L244 HydrophobicContact CE1-CB 4.27Å; Y240-L244 HydrophobicContact CE1-CD2 4.06Å; Y240-L244 WeakPolarHBondContact O-CB 3.3Å; Y240-L244 PolarHBondContact O-N 2.95Å; V241-L244 PolarHBondContact O-N 2.76Å; F242-L244 PolarHBondContact O-N 3.18Å; L244-S246 VanDerWaalsContact C-N 3.34Å; L244-S246 PolarHBondContact O-N 3.42Å; L244-V247 PolarHBondContact O-N 3.35Å; L244-V248 HydrophobicContact CD1-CG2 4Å; L244-V248 HydrophobicContact CG-CG2 4.07Å; L244-V248 WeakPolarHBondContact O-CB 3.38Å; L244-V248 WeakPolarHBondContact O-CG2 3.31Å; L244-V248 PolarHBondContact O-N 3.47Å; L244-L373 HydrophobicContact CD1-CD1 3.41Å; L244-L373 VanDerWaalsContact CD1-CD1 3.41Å |
| 245 | T | 93.6 | Very high | 89.1 | Confident | 23 Ų | 23 | 48.3 Ų | 48.3 | 14% | 0.141 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -55.2 | -48.7 | 174.2 | -74 | 0 | 0 | 0 | 0 | 111 | V214 F219 V241 F242 F249 | V214-T245 HydrophobicContact CG1-CG2 3.63Å; F219-T245 HydrophobicContact CE2-CG2 4.06Å; F219-T245 HydrophobicContact CZ-CG2 4.16Å; V241-T245 VanDerWaalsContact O-CB 3.24Å; V241-T245 WeakPolarHBondContact O-CB 3.39Å; V241-T245 PolarHBondContact O-N 3.35Å; V241-T245 PolarHBondContact O-OG1 3.35Å; V241-T245 VanDerWaalsContact O-OG1 3.04Å; F242-T245 WeakPolarHBondContact O-CB 3.43Å; F242-T245 PolarHBondContact O-N 2.86Å; T245-F249 WeakPolarHBondContact O-CB 3.39Å; T245-F249 PolarHBondContact O-N 3.22Å |
| 246 | S | 93.3 | Very high | 89.7 | Confident | 34 Ų | 34 | 38.8 Ų | 38.8 | 24% | 0.238 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62 | -46.1 | 177.1 | -62.1 | 0 | 0 | 0 | 0 | 111.7 | F242 S243 L244 F249 F250 | F242-S246 PolarHBondContact O-N 3.44Å; F242-S246 PolarHBondContact O-OG 3.4Å; S243-S246 PolarHBondContact O-N 3.07Å; L244-S246 VanDerWaalsContact C-N 3.34Å; L244-S246 PolarHBondContact O-N 3.42Å; S246-F249 PolarHBondContact O-N 2.66Å; S246-F250 WeakPolarHBondContact O-CD2 3.46Å; S246-F250 PolarHBondContact O-N 2.93Å |
| 247 | V | 94.4 | Very high | 90.3 | Very high | 3 Ų | 3 | 36.7 Ų | 36.7 | 2% | 0.018 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.1 | -52.7 | 178.6 | 162.8 | 0 | 0 | 0 | 0 | 111.4 | S243 L244 F249 F250 T251 L350 Q354 M357 L373 | S243-V247 WeakPolarHBondContact O-CB 3.24Å; S243-V247 VanDerWaalsContact O-CG2 3.3Å; S243-V247 WeakPolarHBondContact O-CG2 3.44Å; S243-V247 PolarHBondContact O-N 2.88Å; L244-V247 PolarHBondContact O-N 3.35Å; V247-F249 VanDerWaalsContact C-N 3.31Å; V247-F249 PolarHBondContact O-N 2.92Å; V247-F250 PolarHBondContact O-N 3.34Å; V247-T251 WeakPolarHBondContact O-CB 3.34Å; V247-T251 PolarHBondContact O-N 3.35Å; V247-T251 PolarHBondContact O-OG1 2.88Å; V247-L350 HydrophobicContact CG2-CD1 4.35Å; V247-Q354 HydrophobicContact CG1-CG 4.49Å; V247-Q354 HydrophobicContact CG2-CG 3.86Å; V247-M357 HydrophobicContact CG2-CE 3.63Å; V247-L373 HydrophobicContact CG1-CB 4.24Å; V247-L373 HydrophobicContact CG1-CD1 3.87Å |
| 248 | V | 94.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64 | -39.9 | -177.9 | 174.1 | 0 | 0 | 0 | 0 | 110.7 | Y35 V39 T213 V214 V218 L244 A252 | Y35-V248 HydrophobicContact CE1-CG1 4.36Å; V39-V248 HydrophobicContact CB-CG2 4.34Å; V39-V248 HydrophobicContact CG1-CB 4.41Å; V39-V248 HydrophobicContact CG1-CG1 3.98Å; V39-V248 HydrophobicContact CG1-CG2 3.53Å; V39-V248 HydrophobicContact CG2-CG1 4.19Å; V39-V248 HydrophobicContact CG2-CG2 3.77Å; T213-V248 HydrophobicContact CG2-CG1 4.2Å; V214-V248 HydrophobicContact CG2-CB 4.17Å; V214-V248 HydrophobicContact CG2-CG1 3.83Å; V218-V248 HydrophobicContact CG2-CB 4.34Å; V218-V248 HydrophobicContact CG2-CG1 4.33Å; V218-V248 HydrophobicContact CG2-CG2 4.16Å; L244-V248 HydrophobicContact CD1-CG2 4Å; L244-V248 HydrophobicContact CG-CG2 4.07Å; L244-V248 WeakPolarHBondContact O-CB 3.38Å; L244-V248 WeakPolarHBondContact O-CG2 3.31Å; L244-V248 PolarHBondContact O-N 3.47Å; V248-A252 WeakPolarHBondContact O-CB 3.32Å; V248-A252 PolarHBondContact O-N 2.91Å |
| 249 | F | 94.3 | Very high | 91 | Very high | 34 Ų | 34 | 28.6 Ų | 28.6 | 15% | 0.149 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.4 | -55.5 | 175.9 | -178.6 | -99.3 | 0 | 0 | 0 | 111.2 | L207 A210 F211 V214 T245 S246 V247 T251 A252 F253 | L207-F249 HydrophobicContact CD2-CZ 3.96Å; A210-F249 HydrophobicContact CB-CD2 3.86Å; A210-F249 HydrophobicContact CB-CE2 3.81Å; A210-F249 HydrophobicContact CB-CZ 4.48Å; F211-F249 HydrophobicContact CD1-CD2 4.15Å; F211-F249 AromaticContact CD1-CE2 3.69Å; F211-F249 HydrophobicContact CD1-CE2 3.69Å; F211-F249 AromaticContact CD2-CE2 3.99Å; F211-F249 HydrophobicContact CD2-CE2 3.99Å; F211-F249 HydrophobicContact CE1-CD2 4.18Å; F211-F249 AromaticContact CE1-CE2 3.53Å; F211-F249 HydrophobicContact CE1-CE2 3.53Å; F211-F249 HydrophobicContact CE1-CZ 4.17Å; F211-F249 AromaticContact CE2-CE2 3.83Å; F211-F249 HydrophobicContact CE2-CE2 3.83Å; F211-F249 HydrophobicContact CE2-CZ 4.1Å; F211-F249 AromaticContact CG-CE2 3.91Å; F211-F249 HydrophobicContact CG-CE2 3.91Å; F211-F249 AromaticContact CZ-CE2 3.59Å; F211-F249 HydrophobicContact CZ-CE2 3.59Å; F211-F249 AromaticContact CZ-CZ 3.84Å; F211-F249 HydrophobicContact CZ-CZ 3.84Å; V214-F249 VanDerWaalsContact CG2-CA 3.49Å; V214-F249 HydrophobicContact CG2-CB 3.73Å; V214-F249 HydrophobicContact CG2-CD2 4.27Å; T245-F249 WeakPolarHBondContact O-CB 3.39Å; T245-F249 PolarHBondContact O-N 3.22Å; S246-F249 PolarHBondContact O-N 2.66Å; V247-F249 VanDerWaalsContact C-N 3.31Å; V247-F249 PolarHBondContact O-N 2.92Å; F249-T251 PolarHBondContact O-N 2.88Å; F249-A252 PolarHBondContact O-N 2.69Å; F249-F253 WeakPolarHBondContact O-CB 3.24Å; F249-F253 PolarHBondContact O-N 3.35Å |
| 250 | F | 93.8 | Very high | 91 | Very high | 86 Ų | 86 | 24 Ų | 24 | 38% | 0.377 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -68.1 | -35.9 | -177.1 | -73.1 | -62.6 | 0 | 0 | 0 | 112.3 | S246 V247 T254 I346 L350 | S246-F250 WeakPolarHBondContact O-CD2 3.46Å; S246-F250 PolarHBondContact O-N 2.93Å; V247-F250 PolarHBondContact O-N 3.34Å; F250-T254 WeakPolarHBondContact O-CB 3.31Å; F250-T254 PolarHBondContact O-N 3.12Å; F250-T254 PolarHBondContact O-OG1 2.73Å; F250-I346 HydrophobicContact CD1-CG2 4.42Å; F250-L350 HydrophobicContact CB-CD1 3.94Å; F250-L350 HydrophobicContact CB-CD2 3.84Å; F250-L350 HydrophobicContact CB-CG 4.47Å; F250-L350 HydrophobicContact CD2-CD1 4.42Å |
| 251 | T | 94.1 | Very high | 91 | Very high | 4 Ų | 4 | 23.7 Ų | 23.7 | 3% | 0.025 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64.7 | -51.8 | 174.3 | -62.3 | 0 | 0 | 0 | 0 | 111.4 | Y35 V247 F249 F253 T254 L255 L350 N377 | Y35-T251 HydrophobicContact CD2-CG2 4.32Å; Y35-T251 HydrophobicContact CE1-CG2 3.98Å; Y35-T251 HydrophobicContact CE2-CG2 3.51Å; Y35-T251 WeakPolarHBondContact OH-CB 3.26Å; Y35-T251 VanDerWaalsContact OH-CG2 3.27Å; Y35-T251 WeakPolarHBondContact OH-CG2 3.44Å; V247-T251 WeakPolarHBondContact O-CB 3.34Å; V247-T251 PolarHBondContact O-N 3.35Å; V247-T251 PolarHBondContact O-OG1 2.88Å; F249-T251 PolarHBondContact O-N 2.88Å; T251-F253 VanDerWaalsContact C-N 3.34Å; T251-F253 PolarHBondContact O-N 3.34Å; T251-T254 PolarHBondContact O-N 3.21Å; T251-L255 VanDerWaalsContact O-CB 3.28Å; T251-L255 WeakPolarHBondContact O-CB 3.05Å; T251-L255 PolarHBondContact O-N 2.97Å; T251-L350 WeakPolarHBondContact OG1-CD2 3.33Å; T251-N377 WeakPolarHBondContact CB-OD1 3.2Å; T251-N377 WeakPolarHBondContact CG2-OD1 3.4Å; T251-N377 VanDerWaalsContact OG1-CG 3.27Å; T251-N377 PolarHBondContact OG1-ND2 2.8Å; T251-N377 VanDerWaalsContact OG1-ND2 3.11Å; T251-N377 PolarHBondContact OG1-OD1 2.65Å |
| 252 | A | 92.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.2 | -43.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y35 A210 T213 V248 F249 L255 Y256 | Y35-A252 HydrophobicContact CE1-CB 4.45Å; A210-A252 HydrophobicContact CB-CB 4.26Å; T213-A252 HydrophobicContact CG2-CB 4.17Å; V248-A252 WeakPolarHBondContact O-CB 3.32Å; V248-A252 PolarHBondContact O-N 2.91Å; F249-A252 PolarHBondContact O-N 2.69Å; A252-L255 PolarHBondContact O-N 3.49Å; A252-Y256 WeakPolarHBondContact O-CD2 3.48Å; A252-Y256 PolarHBondContact O-N 3.31Å |
| 253 | F | 91.2 | Very high | 90.4 | Very high | 14 Ų | 14 | 17.5 Ų | 17.5 | 6% | 0.061 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -58.2 | -50.4 | 174.9 | 174.4 | -104.7 | 0 | 0 | 0 | 111.7 | F203 S206 L207 A210 F249 T251 L255 Y256 V257 | F203-F253 HydrophobicContact CD2-CE2 4.47Å; F203-F253 HydrophobicContact CD2-CZ 4.25Å; F203-F253 AromaticContact CE2-CE2 4Å; F203-F253 HydrophobicContact CE2-CE2 4Å; F203-F253 AromaticContact CE2-CZ 3.47Å; F203-F253 HydrophobicContact CE2-CZ 3.47Å; F203-F253 VanDerWaalsContact CE2-CZ 3.47Å; F203-F253 HydrophobicContact CZ-CE2 4.06Å; F203-F253 AromaticContact CZ-CZ 3.67Å; F203-F253 HydrophobicContact CZ-CZ 3.67Å; S206-F253 VanDerWaalsContact OG-CE2 3.26Å; S206-F253 WeakPolarHBondContact OG-CE2 3.42Å; L207-F253 HydrophobicContact CD2-CD2 3.87Å; L207-F253 HydrophobicContact CD2-CE2 3.71Å; L207-F253 HydrophobicContact CG-CD2 4.28Å; L207-F253 HydrophobicContact CG-CE2 3.89Å; A210-F253 HydrophobicContact CB-CB 3.77Å; F249-F253 WeakPolarHBondContact O-CB 3.24Å; F249-F253 PolarHBondContact O-N 3.35Å; T251-F253 VanDerWaalsContact C-N 3.34Å; T251-F253 PolarHBondContact O-N 3.34Å; F253-L255 VanDerWaalsContact C-N 3.32Å; F253-L255 PolarHBondContact O-N 2.99Å; F253-Y256 PolarHBondContact O-N 3.45Å; F253-V257 HydrophobicContact CD1-CG2 4.42Å; F253-V257 HydrophobicContact CD2-CG2 4.29Å; F253-V257 HydrophobicContact CE1-CG2 4.04Å; F253-V257 HydrophobicContact CE2-CG2 3.89Å; F253-V257 HydrophobicContact CZ-CG2 3.76Å; F253-V257 VanDerWaalsContact O-CG2 3.31Å; F253-V257 WeakPolarHBondContact O-CG2 3.47Å; F253-V257 PolarHBondContact O-N 3.37Å |
| 254 | T | 91.7 | Very high | 89.9 | Confident | 4 Ų | 4 | 18 Ų | 18 | 3% | 0.025 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -65.9 | -36.4 | -179.3 | -55.4 | 0 | 0 | 0 | 0 | 111.4 | F250 T251 V257 A258 A347 L380 I384 | F250-T254 WeakPolarHBondContact O-CB 3.31Å; F250-T254 PolarHBondContact O-N 3.12Å; F250-T254 PolarHBondContact O-OG1 2.73Å; T251-T254 PolarHBondContact O-N 3.21Å; T254-V257 PolarHBondContact O-N 3.35Å; T254-A258 VanDerWaalsContact O-CB 3.28Å; T254-A258 WeakPolarHBondContact O-CB 3.17Å; T254-A258 PolarHBondContact O-N 2.85Å; T254-A347 HydrophobicContact CG2-CB 4.3Å; T254-L380 HydrophobicContact CG2-CD1 4.46Å; T254-L380 HydrophobicContact CG2-CD2 3.61Å; T254-L380 HydrophobicContact CG2-CG 4.01Å; T254-I384 HydrophobicContact CG2-CD1 3.41Å; T254-I384 VanDerWaalsContact CG2-CD1 3.41Å |
| 255 | L | 91 | Very high | 89.5 | Confident | 24 Ų | 24 | 17.7 Ų | 17.7 | 13% | 0.126 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -64.1 | -44.6 | 176.1 | -171.2 | 68.2 | 0 | 0 | 0 | 111 | F28 L32 T251 A252 F253 A258 Y259 L380 | F28-L255 HydrophobicContact CE2-CG 4.04Å; F28-L255 WeakPolarHBondContact CE2-O 3.45Å; L32-L255 HydrophobicContact CB-CD2 4.36Å; L32-L255 HydrophobicContact CD1-CD2 3.72Å; T251-L255 VanDerWaalsContact O-CB 3.28Å; T251-L255 WeakPolarHBondContact O-CB 3.05Å; T251-L255 PolarHBondContact O-N 2.97Å; A252-L255 PolarHBondContact O-N 3.49Å; F253-L255 VanDerWaalsContact C-N 3.32Å; F253-L255 PolarHBondContact O-N 2.99Å; L255-A258 PolarHBondContact O-N 3.09Å; L255-Y259 PolarHBondContact O-N 3.03Å; L255-L380 HydrophobicContact CB-CD2 4.24Å; L255-L380 HydrophobicContact CD1-CD1 3.94Å |
| 256 | Y | 88.8 | Confident | 89.1 | Confident | 2 Ų | 2 | 16.9 Ų | 16.9 | 1% | 0.008 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -65.4 | -43.3 | 174.8 | -96.3 | -74.9 | 0 | 0 | 0 | 112.9 | F28 L32 R83 A209 A252 F253 A258 Y259 L260 | F28-Y256 AromaticContact CE1-CD1 3.94Å; F28-Y256 HydrophobicContact CE1-CD1 3.94Å; F28-Y256 AromaticContact CE1-CE1 3.61Å; F28-Y256 HydrophobicContact CE1-CE1 3.61Å; F28-Y256 AromaticContact CZ-CD1 3.7Å; F28-Y256 HydrophobicContact CZ-CD1 3.7Å; F28-Y256 HydrophobicContact CZ-CD2 4.44Å; F28-Y256 AromaticContact CZ-CE1 3.79Å; F28-Y256 HydrophobicContact CZ-CE1 3.79Å; F28-Y256 HydrophobicContact CZ-CG 4.04Å; L32-Y256 HydrophobicContact CD1-CD2 4.07Å; L32-Y256 HydrophobicContact CD1-CE2 3.59Å; L32-Y256 HydrophobicContact CD2-CD2 4.47Å; L32-Y256 HydrophobicContact CD2-CE1 4.47Å; L32-Y256 HydrophobicContact CD2-CE2 3.33Å; L32-Y256 WeakPolarHBondContact CD2-OH 3.48Å; L32-Y256 HydrophobicContact CG-CE2 4.09Å; R83-Y256 PolarHBondContact NH1-OH 3.37Å; A209-Y256 HydrophobicContact CB-CD1 4.16Å; A209-Y256 HydrophobicContact CB-CD2 3.53Å; A209-Y256 HydrophobicContact CB-CE1 3.93Å; A209-Y256 HydrophobicContact CB-CE2 3.22Å; A209-Y256 HydrophobicContact CB-CG 3.98Å; A209-Y256 VanDerWaalsContact CB-CZ 3.44Å; A252-Y256 WeakPolarHBondContact O-CD2 3.48Å; A252-Y256 PolarHBondContact O-N 3.31Å; F253-Y256 PolarHBondContact O-N 3.45Å; Y256-A258 VanDerWaalsContact C-N 3.32Å; Y256-A258 PolarHBondContact O-N 3.46Å; Y256-Y259 PolarHBondContact O-N 3.37Å; Y256-Y259 VanDerWaalsContact O-N 3.12Å; Y256-L260 HydrophobicContact CD1-CD1 4.28Å; Y256-L260 WeakPolarHBondContact O-CB 3.33Å; Y256-L260 WeakPolarHBondContact O-CG 3.29Å; Y256-L260 PolarHBondContact O-N 2.83Å |
| 257 | V | 88.5 | Confident | 88.6 | Confident | 4 Ų | 4 | 15.7 Ų | 15.7 | 2% | 0.024 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -61.2 | -43.4 | 175.1 | 171.2 | 0 | 0 | 0 | 0 | 110.4 | F253 T254 Y259 L260 F261 F339 C343 | F253-V257 HydrophobicContact CD1-CG2 4.42Å; F253-V257 HydrophobicContact CD2-CG2 4.29Å; F253-V257 HydrophobicContact CE1-CG2 4.04Å; F253-V257 HydrophobicContact CE2-CG2 3.89Å; F253-V257 HydrophobicContact CZ-CG2 3.76Å; F253-V257 VanDerWaalsContact O-CG2 3.31Å; F253-V257 WeakPolarHBondContact O-CG2 3.47Å; F253-V257 PolarHBondContact O-N 3.37Å; T254-V257 PolarHBondContact O-N 3.35Å; V257-Y259 PolarHBondContact O-N 2.99Å; V257-Y259 VanDerWaalsContact O-N 3.11Å; V257-L260 PolarHBondContact O-N 3.28Å; V257-F261 HydrophobicContact CB-CD2 4.37Å; V257-F261 HydrophobicContact CG1-CD2 3.75Å; V257-F261 HydrophobicContact CG1-CE2 4.17Å; V257-F261 WeakPolarHBondContact O-CB 3.4Å; V257-F261 VanDerWaalsContact O-CD2 3.31Å; V257-F261 WeakPolarHBondContact O-CD2 3.46Å; V257-F261 PolarHBondContact O-N 2.88Å; V257-F339 HydrophobicContact CG1-CD2 4.45Å; V257-F339 HydrophobicContact CG1-CE2 4Å; V257-C343 VanDerWaalsContact CG1-SG 3.52Å |
| 258 | A | 88.3 | Confident | 88.1 | Confident | 12 Ų | 12 | 16 Ų | 16 | 10% | 0.099 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -66.1 | -13.3 | 177 | 0 | 0 | 0 | 0 | 0 | 114.4 | T254 L255 Y256 L380 K383 I384 | T254-A258 VanDerWaalsContact O-CB 3.28Å; T254-A258 WeakPolarHBondContact O-CB 3.17Å; T254-A258 PolarHBondContact O-N 2.85Å; L255-A258 PolarHBondContact O-N 3.09Å; Y256-A258 VanDerWaalsContact C-N 3.32Å; Y256-A258 PolarHBondContact O-N 3.46Å; A258-L380 HydrophobicContact CB-CD1 3.83Å; A258-K383 PolarHBondContact O-NZ 3.21Å; A258-I384 HydrophobicContact CB-CD1 4.32Å; A258-I384 HydrophobicContact CB-CG1 4.1Å |
| 259 | Y | 87 | Confident | 87.6 | Confident | 38 Ų | 38 | 16.1 Ų | 16.1 | 15% | 0.149 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -98.8 | -48 | 174.6 | 171.4 | -105.2 | 0 | 0 | 0 | 112.4 | F28 L255 Y256 V257 F261 | F28-Y259 HydrophobicContact CB-CD2 3.47Å; F28-Y259 VanDerWaalsContact CB-CD2 3.47Å; F28-Y259 HydrophobicContact CB-CE2 3.5Å; F28-Y259 HydrophobicContact CB-CG 4.09Å; F28-Y259 AromaticContact CD1-CD1 3.39Å; F28-Y259 HydrophobicContact CD1-CD1 3.39Å; F28-Y259 AromaticContact CD1-CD2 3.74Å; F28-Y259 HydrophobicContact CD1-CD2 3.74Å; F28-Y259 AromaticContact CD1-CE1 3.58Å; F28-Y259 HydrophobicContact CD1-CE1 3.58Å; F28-Y259 AromaticContact CD1-CE2 3.92Å; F28-Y259 HydrophobicContact CD1-CE2 3.92Å; F28-Y259 AromaticContact CD1-CG 3.48Å; F28-Y259 HydrophobicContact CD1-CG 3.48Å; F28-Y259 VanDerWaalsContact CD1-CG 3.48Å; F28-Y259 AromaticContact CD1-CZ 3.85Å; F28-Y259 HydrophobicContact CD2-CD1 4.19Å; F28-Y259 AromaticContact CD2-CD2 3.57Å; F28-Y259 HydrophobicContact CD2-CD2 3.57Å; F28-Y259 HydrophobicContact CD2-CE2 4.41Å; F28-Y259 AromaticContact CD2-CG 3.43Å; F28-Y259 HydrophobicContact CD2-CG 3.43Å; F28-Y259 VanDerWaalsContact CD2-CG 3.43Å; F28-Y259 AromaticContact CE1-CD1 3.38Å; F28-Y259 HydrophobicContact CE1-CD1 3.38Å; F28-Y259 HydrophobicContact CE1-CD2 4.4Å; F28-Y259 AromaticContact CE1-CE1 3.9Å; F28-Y259 HydrophobicContact CE1-CE1 3.9Å; F28-Y259 AromaticContact CE1-CG 3.68Å; F28-Y259 HydrophobicContact CE1-CG 3.68Å; F28-Y259 HydrophobicContact CE2-CD1 4.16Å; F28-Y259 HydrophobicContact CE2-CD2 4.24Å; F28-Y259 AromaticContact CE2-CG 3.62Å; F28-Y259 HydrophobicContact CE2-CG 3.62Å; F28-Y259 AromaticContact CG-CD1 3.81Å; F28-Y259 HydrophobicContact CG-CD1 3.81Å; F28-Y259 AromaticContact CG-CD2 3.27Å; F28-Y259 HydrophobicContact CG-CD2 3.27Å; F28-Y259 HydrophobicContact CG-CE1 4.16Å; F28-Y259 AromaticContact CG-CE2 3.67Å; F28-Y259 HydrophobicContact CG-CE2 3.67Å; F28-Y259 AromaticContact CG-CG 3.35Å; F28-Y259 HydrophobicContact CG-CG 3.35Å; F28-Y259 AromaticContact CZ-CD1 3.79Å; F28-Y259 HydrophobicContact CZ-CD1 3.79Å; F28-Y259 AromaticContact CZ-CG 3.75Å; F28-Y259 HydrophobicContact CZ-CG 3.75Å; L255-Y259 PolarHBondContact O-N 3.03Å; Y256-Y259 PolarHBondContact O-N 3.37Å; Y256-Y259 VanDerWaalsContact O-N 3.12Å; V257-Y259 PolarHBondContact O-N 2.99Å; V257-Y259 VanDerWaalsContact O-N 3.11Å; Y259-F261 PolarHBondContact O-N 3.45Å |
| 260 | L | 85.2 | Confident | 87.2 | Confident | 4 Ų | 4 | 15.8 Ų | 15.8 | 2% | 0.021 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -69.8 | -22 | -178.8 | -68.2 | 175.2 | 0 | 0 | 0 | 112.5 | R202 Q205 Y256 V257 P262 | R202-L260 HydrophobicContact CB-CB 4.17Å; R202-L260 HydrophobicContact CB-CD1 4.37Å; R202-L260 WeakPolarHBondContact CD-O 3.34Å; R202-L260 HydrophobicContact CG-CB 4.37Å; R202-L260 PolarHBondContact NH1-O 3.42Å; R202-L260 VanDerWaalsContact O-CD1 3.24Å; R202-L260 WeakPolarHBondContact O-CD1 3.39Å; Q205-L260 HydrophobicContact CB-CD1 4.18Å; Q205-L260 HydrophobicContact CG-CD1 4.15Å; Y256-L260 HydrophobicContact CD1-CD1 4.28Å; Y256-L260 WeakPolarHBondContact O-CB 3.33Å; Y256-L260 WeakPolarHBondContact O-CG 3.29Å; Y256-L260 PolarHBondContact O-N 2.83Å; V257-L260 PolarHBondContact O-N 3.28Å; L260-P262 WeakPolarHBondContact O-CD 3.45Å |
| 261 | F | 85.8 | Confident | 86.7 | Confident | 12 Ų | 12 | 13.2 Ų | 13.2 | 5% | 0.053 | 7% | 0.065 | C | C | . | . | S | Bend | trans | -109.1 | 74.6 | 172.4 | -62 | -97.8 | 0 | 0 | 0 | 111 | V199 R202 V257 Y259 L265 F339 | V199-F261 HydrophobicContact CB-CE1 4.42Å; V199-F261 HydrophobicContact CG1-CE1 3.89Å; V199-F261 HydrophobicContact CG1-CZ 4.08Å; V199-F261 HydrophobicContact CG2-CE1 4.15Å; R202-F261 HydrophobicContact CB-CE2 4.21Å; R202-F261 HydrophobicContact CB-CZ 4.2Å; V257-F261 HydrophobicContact CB-CD2 4.37Å; V257-F261 HydrophobicContact CG1-CD2 3.75Å; V257-F261 HydrophobicContact CG1-CE2 4.17Å; V257-F261 WeakPolarHBondContact O-CB 3.4Å; V257-F261 VanDerWaalsContact O-CD2 3.31Å; V257-F261 WeakPolarHBondContact O-CD2 3.46Å; V257-F261 PolarHBondContact O-N 2.88Å; Y259-F261 PolarHBondContact O-N 3.45Å; F261-L265 HydrophobicContact CD1-CD2 4.06Å; F261-F339 HydrophobicContact CB-CE1 4.08Å; F261-F339 HydrophobicContact CB-CE2 3.93Å; F261-F339 HydrophobicContact CB-CZ 3.3Å; F261-F339 HydrophobicContact CD1-CD1 4.24Å; F261-F339 AromaticContact CD1-CE1 3.51Å; F261-F339 HydrophobicContact CD1-CE1 3.51Å; F261-F339 HydrophobicContact CD1-CE2 4.15Å; F261-F339 AromaticContact CD1-CZ 3.52Å; F261-F339 HydrophobicContact CD1-CZ 3.52Å; F261-F339 HydrophobicContact CD2-CE2 4.43Å; F261-F339 HydrophobicContact CD2-CZ 4.42Å; F261-F339 HydrophobicContact CE1-CE1 4.23Å; F261-F339 HydrophobicContact CE1-CZ 4.43Å; F261-F339 HydrophobicContact CG-CE1 4.03Å; F261-F339 AromaticContact CG-CE2 3.92Å; F261-F339 HydrophobicContact CG-CE2 3.92Å; F261-F339 AromaticContact CG-CZ 3.51Å; F261-F339 HydrophobicContact CG-CZ 3.51Å |
| 262 | P | 83.5 | Confident | 86.4 | Confident | 21 Ų | 21 | 13 Ų | 13 | 14% | 0.136 | 6% | 0.064 | C | C | . | . | trans | -67 | 158 | 174.1 | 32.5 | -37.1 | 0 | 0 | 0 | 110.3 | M21 L260 Q264 L265 C266 | M21-P262 HydrophobicContact CE-CB 3.65Å; M21-P262 HydrophobicContact CE-CG 3.82Å; L260-P262 WeakPolarHBondContact O-CD 3.45Å; P262-Q264 PolarHBondContact O-N 3.22Å; P262-L265 HydrophobicContact CG-CB 3.96Å; P262-L265 WeakPolarHBondContact O-CB 3.41Å; P262-L265 PolarHBondContact O-N 2.91Å; P262-C266 PolarHBondContact O-N 3.47Å | ||
| 263 | I | 82 | Confident | 86.1 | Confident | 18 Ų | 18 | 13.2 Ų | 13.2 | 9% | 0.092 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -56.5 | -31.8 | -175.8 | -154.4 | 165.9 | 0 | 0 | 0 | 112.8 | F16 I19 C266 D267 D387 I390 L391 | F16-I263 HydrophobicContact CZ-CG2 4.12Å; I19-I263 HydrophobicContact CD1-CG2 4.28Å; I263-C266 PolarHBondContact O-N 3.07Å; I263-D267 PolarHBondContact O-N 3.4Å; I263-D387 HydrophobicContact CD1-CB 4.22Å; I263-I390 HydrophobicContact CD1-CB 3.8Å; I263-I390 HydrophobicContact CD1-CG2 3.6Å; I263-L391 HydrophobicContact CG1-CD1 4.17Å |
| 264 | Q | 81.6 | Confident | 85.7 | Confident | 35 Ų | 35 | 13.4 Ų | 13.4 | 16% | 0.164 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -65.2 | -40 | 176.5 | -62.7 | 87.1 | -8.5 | 0 | 0 | 112.1 | F16 I19 I176 P262 D267 Q268 | F16-Q264 HydrophobicContact CE1-CG 4.09Å; I19-Q264 PolarHBondContact O-NE2 3.38Å; I19-Q264 VanDerWaalsContact O-NE2 3.16Å; I176-Q264 HydrophobicContact CD1-CB 4.22Å; P262-Q264 PolarHBondContact O-N 3.22Å; Q264-D267 PolarHBondContact O-N 2.88Å; Q264-Q268 WeakPolarHBondContact O-CB 3.34Å; Q264-Q268 PolarHBondContact O-N 3.28Å |
| 265 | L | 83.9 | Confident | 85.4 | Confident | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -68.1 | -39.6 | 177 | -177.9 | 65.4 | 0 | 0 | 0 | 110.5 | L195 F261 P262 Q268 M269 | L195-L265 HydrophobicContact CD2-CD1 4.19Å; F261-L265 HydrophobicContact CD1-CD2 4.06Å; P262-L265 HydrophobicContact CG-CB 3.96Å; P262-L265 WeakPolarHBondContact O-CB 3.41Å; P262-L265 PolarHBondContact O-N 2.91Å; L265-Q268 WeakPolarHBondContact O-CB 3.32Å; L265-Q268 PolarHBondContact O-N 2.97Å; L265-M269 HydrophobicContact CG-SD 4.26Å; L265-M269 WeakPolarHBondContact O-CB 3.33Å; L265-M269 VanDerWaalsContact O-CG 3.31Å; L265-M269 WeakPolarHBondContact O-CG 3.49Å; L265-M269 PolarHBondContact O-N 3.5Å |
| 266 | C | 84.9 | Confident | 85.2 | Confident | 5 Ų | 5 | 12.3 Ų | 12.3 | 3% | 0.034 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -63.1 | -44.1 | 176.3 | -57.5 | 0 | 0 | 0 | 0 | 111.8 | P262 I263 Q268 M269 H270 F339 L391 | P262-C266 PolarHBondContact O-N 3.47Å; I263-C266 PolarHBondContact O-N 3.07Å; C266-Q268 VanDerWaalsContact C-N 3.33Å; C266-M269 PolarHBondContact O-N 2.92Å; C266-H270 WeakPolarHBondContact O-CB 3.34Å; C266-H270 PolarHBondContact O-N 3.34Å; C266-F339 VanDerWaalsContact SG-CE1 3.52Å; C266-F339 VanDerWaalsContact SG-CZ 3.55Å; C266-L391 HydrophobicContact CB-CD1 4.31Å; C266-L391 HydrophobicContact CB-CD2 3.79Å |
| 267 | D | 82.8 | Confident | 85 | Confident | 10 Ų | 10 | 12.3 Ų | 12.3 | 5% | 0.053 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -61.9 | -42.3 | 173.8 | 176.7 | 74.7 | 0 | 0 | 0 | 110.9 | F16 I263 Q264 H270 R271 L391 | F16-D267 HydrophobicContact CD2-CB 4Å; F16-D267 WeakPolarHBondContact CD2-OD2 3.28Å; F16-D267 HydrophobicContact CE2-CB 3.66Å; F16-D267 HydrophobicContact CZ-CB 4.44Å; I263-D267 PolarHBondContact O-N 3.4Å; Q264-D267 PolarHBondContact O-N 2.88Å; D267-H270 WeakPolarHBondContact O-CB 3.49Å; D267-H270 PolarHBondContact O-N 3.39Å; D267-R271 VanDerWaalsContact O-CG 3.32Å; D267-R271 WeakPolarHBondContact O-CG 3.32Å; D267-R271 PolarHBondContact O-N 3.34Å; D267-R271 IonicContact OD1-NE 3.62Å; D267-R271 PolarHBondContact OD1-NE 3.21Å; D267-R271 IonicContact OD1-NH2 3.65Å; D267-R271 IonicContact OD2-CZ 2.82Å; D267-R271 IonicContact OD2-NE 3.87Å; D267-R271 PolarHBondContact OD2-NE 3.27Å; D267-R271 IonicContact OD2-NH2 2.88Å; D267-R271 PolarHBondContact OD2-NH2 3.42Å; D267-R271 VanDerWaalsContact OD2-NH2 3.17Å; D267-L391 HydrophobicContact CB-CD1 4.04Å |
| 268 | Q | 83.9 | Confident | 85 | Confident | 8 Ų | 8 | 13.3 Ų | 13.3 | 4% | 0.037 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -62.5 | -47 | 177.3 | -162.3 | -168.1 | -22.7 | 0 | 0 | 112.7 | P177 H179 Q264 L265 C266 H270 R271 C272 | P177-Q268 PolarHBondContact O-NE2 3.21Å; P177-Q268 PolarHBondContact O-OE1 2.87Å; H179-Q268 HydrophobicContact CB-CG 3.75Å; Q264-Q268 WeakPolarHBondContact O-CB 3.34Å; Q264-Q268 PolarHBondContact O-N 3.28Å; L265-Q268 WeakPolarHBondContact O-CB 3.32Å; L265-Q268 PolarHBondContact O-N 2.97Å; C266-Q268 VanDerWaalsContact C-N 3.33Å; Q268-H270 VanDerWaalsContact C-N 3.25Å; Q268-H270 PolarHBondContact O-N 3.21Å; Q268-R271 PolarHBondContact O-N 2.82Å; Q268-C272 WeakPolarHBondContact O-CB 3.3Å; Q268-C272 PolarHBondContact O-N 2.94Å |
| 269 | M | 85.7 | Confident | 84.9 | Confident | 3 Ų | 3 | 13.3 Ų | 13.3 | 2% | 0.015 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -58.2 | -42.6 | 175.7 | -76.3 | 172.7 | 40.5 | 0 | 0 | 110.8 | V199 L265 C266 C272 A273 F333 F339 | V199-M269 HydrophobicContact CG2-CE 4.44Å; V199-M269 HydrophobicContact CG2-CG 4.42Å; V199-M269 HydrophobicContact CG2-SD 3.59Å; V199-M269 VanDerWaalsContact CG2-SD 3.59Å; L265-M269 HydrophobicContact CG-SD 4.26Å; L265-M269 WeakPolarHBondContact O-CB 3.33Å; L265-M269 VanDerWaalsContact O-CG 3.31Å; L265-M269 WeakPolarHBondContact O-CG 3.49Å; L265-M269 PolarHBondContact O-N 3.5Å; C266-M269 PolarHBondContact O-N 2.92Å; M269-C272 PolarHBondContact O-N 3.18Å; M269-A273 WeakPolarHBondContact O-CB 3.31Å; M269-A273 PolarHBondContact O-N 2.78Å; M269-F333 HydrophobicContact CB-CZ 4.25Å; M269-F333 HydrophobicContact CG-CE2 4.18Å; M269-F333 HydrophobicContact CG-CZ 4.17Å; M269-F339 HydrophobicContact CE-CD1 3.99Å; M269-F339 HydrophobicContact CE-CE1 4.3Å |
| 270 | H | 84.9 | Confident | 84.8 | Confident | 28 Ų | 28 | 14.4 Ų | 14.4 | 13% | 0.13 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -62.6 | -48.4 | 177.1 | -177.4 | 72.3 | 0 | 0 | 0 | 111.8 | C266 D267 Q268 C272 A273 V274 H395 | C266-H270 WeakPolarHBondContact O-CB 3.34Å; C266-H270 PolarHBondContact O-N 3.34Å; D267-H270 WeakPolarHBondContact O-CB 3.49Å; D267-H270 PolarHBondContact O-N 3.39Å; Q268-H270 VanDerWaalsContact C-N 3.25Å; Q268-H270 PolarHBondContact O-N 3.21Å; H270-C272 PolarHBondContact O-N 2.91Å; H270-A273 PolarHBondContact O-N 2.94Å; H270-V274 WeakPolarHBondContact O-CG2 3.4Å; H270-V274 PolarHBondContact O-N 2.75Å; H270-H395 VanDerWaalsContact CB-CE1 3.42Å; H270-H395 WeakPolarHBondContact CB-CE1 3.29Å; H270-H395 WeakPolarHBondContact CB-NE2 3.47Å; H270-H395 AromaticContact CD2-CD2 3.34Å; H270-H395 PolarHBondContact CD2-CD2 3.48Å; H270-H395 AromaticContact CD2-CE1 3.51Å; H270-H395 AromaticContact CD2-CG 3.61Å; H270-H395 AromaticContact CD2-ND1 3.71Å; H270-H395 AromaticContact CD2-NE2 3.31Å; H270-H395 PolarHBondContact CD2-NE2 3.02Å; H270-H395 VanDerWaalsContact CD2-NE2 3.31Å; H270-H395 AromaticContact CE1-CG 3.99Å; H270-H395 AromaticContact CE1-ND1 3.74Å; H270-H395 AromaticContact CG-CD2 3.86Å; H270-H395 AromaticContact CG-CE1 3.19Å; H270-H395 AromaticContact CG-ND1 3.65Å; H270-H395 AromaticContact CG-NE2 3.36Å; H270-H395 AromaticContact ND1-CE1 3.58Å; H270-H395 AromaticContact ND1-ND1 3.66Å; H270-H395 AromaticContact NE2-CD2 3.78Å; H270-H395 AromaticContact NE2-CG 3.58Å; H270-H395 AromaticContact NE2-ND1 3.77Å |
| 271 | R | 83.6 | Confident | 84.8 | Confident | 31 Ų | 31 | 20.2 Ų | 20.2 | 12% | 0.117 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -58.5 | -48.9 | 176.7 | -68 | 174.4 | -171.4 | -139.5 | -7.4 | 111.8 | H13 P14 D267 Q268 A273 V274 H275 | H13-R271 HydrophobicContact CB-CG 4.47Å; P14-R271 PolarHBondContact O-NH2 3.26Å; D267-R271 VanDerWaalsContact O-CG 3.32Å; D267-R271 WeakPolarHBondContact O-CG 3.32Å; D267-R271 PolarHBondContact O-N 3.34Å; D267-R271 IonicContact OD1-NE 3.62Å; D267-R271 PolarHBondContact OD1-NE 3.21Å; D267-R271 IonicContact OD1-NH2 3.65Å; D267-R271 IonicContact OD2-CZ 2.82Å; D267-R271 IonicContact OD2-NE 3.87Å; D267-R271 PolarHBondContact OD2-NE 3.27Å; D267-R271 IonicContact OD2-NH2 2.88Å; D267-R271 PolarHBondContact OD2-NH2 3.42Å; D267-R271 VanDerWaalsContact OD2-NH2 3.17Å; Q268-R271 PolarHBondContact O-N 2.82Å; R271-A273 VanDerWaalsContact C-N 3.31Å; R271-A273 PolarHBondContact O-N 3.18Å; R271-V274 PolarHBondContact O-N 2.99Å; R271-H275 PolarHBondContact O-CD2 3.1Å; R271-H275 PolarHBondContact O-N 3.42Å |
| 272 | C | 86.8 | Confident | 84.6 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -59.5 | -42.7 | 176.8 | -174 | 0 | 0 | 0 | 0 | 111.3 | L195 Q268 M269 H270 V274 H275 L276 F333 | L195-C272 HydrophobicContact CD1-CB 3.67Å; Q268-C272 WeakPolarHBondContact O-CB 3.3Å; Q268-C272 PolarHBondContact O-N 2.94Å; M269-C272 PolarHBondContact O-N 3.18Å; H270-C272 PolarHBondContact O-N 2.91Å; C272-V274 VanDerWaalsContact C-N 3.35Å; C272-V274 PolarHBondContact O-N 3.16Å; C272-H275 PolarHBondContact O-N 2.97Å; C272-L276 VanDerWaalsContact O-CB 3.24Å; C272-L276 WeakPolarHBondContact O-CB 3.4Å; C272-L276 PolarHBondContact O-N 3.04Å; C272-F333 HydrophobicContact CB-CE1 4.21Å; C272-F333 HydrophobicContact CB-CZ 4.43Å |
| 273 | A | 87 | Confident | 84.2 | Confident | 5 Ų | 5 | 29.5 Ų | 29.5 | 4% | 0.041 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.7 | -36.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | M269 H270 R271 L276 G277 F333 H334 | M269-A273 WeakPolarHBondContact O-CB 3.31Å; M269-A273 PolarHBondContact O-N 2.78Å; H270-A273 PolarHBondContact O-N 2.94Å; R271-A273 VanDerWaalsContact C-N 3.31Å; R271-A273 PolarHBondContact O-N 3.18Å; A273-L276 PolarHBondContact O-N 3.14Å; A273-G277 PolarHBondContact O-N 3.24Å; A273-F333 HydrophobicContact CB-CE1 4.35Å; A273-H334 PolarHBondContact O-CE1 3.25Å; A273-H334 PolarHBondContact O-ND1 3.39Å |
| 274 | V | 83.7 | Confident | 83.2 | Confident | 17 Ų | 17 | 35.9 Ų | 35.9 | 10% | 0.103 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.6 | -42.3 | 175.1 | 173 | 0 | 0 | 0 | 0 | 111.2 | V11 H270 R271 C272 P319 L402 | V11-V274 HydrophobicContact CG1-CG1 3.92Å; H270-V274 WeakPolarHBondContact O-CG2 3.4Å; H270-V274 PolarHBondContact O-N 2.75Å; R271-V274 PolarHBondContact O-N 2.99Å; C272-V274 VanDerWaalsContact C-N 3.35Å; C272-V274 PolarHBondContact O-N 3.16Å; V274-P319 HydrophobicContact CG1-CG 3.82Å; V274-L402 HydrophobicContact CG1-CD1 4.28Å |
| 275 | H | 83.9 | Confident | 82 | Confident | 6 Ų | 6 | 37.8 Ų | 37.8 | 3% | 0.028 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -70.2 | -32.2 | 176.3 | -78.7 | -71.5 | 0 | 0 | 0 | 113.3 | V11 H13 H179 I188 R271 C272 | V11-H275 PolarHBondContact O-CE1 3.41Å; H13-H275 AromaticContact CD2-NE2 3.44Å; H13-H275 PolarHBondContact CD2-NE2 3.2Å; H13-H275 AromaticContact NE2-CD2 3.51Å; H13-H275 AromaticContact NE2-NE2 3.28Å; H13-H275 PolarHBondContact NE2-NE2 3.07Å; H179-H275 AromaticContact CE1-CD2 3.43Å; H179-H275 PolarHBondContact CE1-CD2 2.59Å; H179-H275 VanDerWaalsContact CE1-CD2 3.43Å; H179-H275 AromaticContact CE1-NE2 3.91Å; H179-H275 AromaticContact NE2-CD2 3.33Å; H179-H275 PolarHBondContact NE2-CD2 3.35Å; H179-H275 VanDerWaalsContact NE2-CD2 3.33Å; H179-H275 AromaticContact NE2-NE2 3.39Å; H179-H275 PolarHBondContact NE2-NE2 3.27Å; I188-H275 HydrophobicContact CD1-CB 4.28Å; I188-H275 HydrophobicContact CG1-CB 4.48Å; I188-H275 HydrophobicContact CG2-CB 4.02Å; R271-H275 PolarHBondContact O-CD2 3.1Å; R271-H275 PolarHBondContact O-N 3.42Å; C272-H275 PolarHBondContact O-N 2.97Å |
| 276 | L | 86.9 | Confident | 80.5 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -72.3 | -40.3 | 179.5 | -172.3 | 66.2 | 0 | 0 | 0 | 111.4 | I188 R189 A192 C272 A273 A322 A323 Q330 F333 | I188-L276 HydrophobicContact CG2-CB 4.25Å; I188-L276 HydrophobicContact CG2-CD1 4.17Å; R189-L276 HydrophobicContact CG-CD1 4.43Å; A192-L276 HydrophobicContact CB-CD1 4.14Å; A192-L276 HydrophobicContact CB-CD2 3.88Å; C272-L276 VanDerWaalsContact O-CB 3.24Å; C272-L276 WeakPolarHBondContact O-CB 3.4Å; C272-L276 PolarHBondContact O-N 3.04Å; A273-L276 PolarHBondContact O-N 3.14Å; L276-A322 PolarHBondContact O-N 2.85Å; L276-A323 HydrophobicContact CD1-CB 4.13Å; L276-A323 HydrophobicContact CG-CB 4.04Å; L276-A323 PolarHBondContact O-N 2.87Å; L276-Q330 HydrophobicContact CD2-CB 4.01Å; L276-Q330 HydrophobicContact CD2-CG 4.19Å; L276-F333 HydrophobicContact CD2-CD1 4.13Å |
| 277 | G | 85.8 | Confident | 78.7 | Confident | 2 Ų | 2 | 55.5 Ų | 55.5 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | trans | 65.6 | -179.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | A273 | A273-G277 PolarHBondContact O-N 3.24Š| ||
| 278 | L | 87.6 | Confident | 76.9 | Confident | 25 Ų | 25 | 58.6 Ų | 58.6 | 13% | 0.131 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 138.5 | -176.4 | -173.9 | 70.9 | 0 | 0 | 0 | 111.3 | I280 G316 E317 R331 H334 | L278-I280 HydrophobicContact CD2-CD1 4.18Å; L278-I280 HydrophobicContact CD2-CG1 3.86Å; L278-I280 HydrophobicContact CG-CG1 4.21Å; L278-G316 CarbonylContact O-C 3.58Å; L278-G316 WeakPolarHBondContact O-CA 3.2Å; L278-E317 HydrophobicContact CB-CB 4.49Å; L278-E317 PolarHBondContact N-O 2.77Å; L278-E317 PolarHBondContact O-N 2.97Å; L278-R331 HydrophobicContact CD1-CG 3.69Å; L278-H334 HydrophobicContact CD1-CB 4.12Å |
| 279 | W | 86.6 | Confident | 75.3 | Confident | 11 Ų | 11 | 67.4 Ų | 67.4 | 4% | 0.042 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 119.5 | 166 | -71.2 | 113.4 | 0 | 0 | 0 | 110.8 | W301 I307 Y314 R315 G316 V321 A323 P325 | W279-W301 HydrophobicContact CH2-CB 3.83Å; W279-W301 HydrophobicContact CH2-CD2 4.37Å; W279-W301 AromaticContact CH2-CG 3.83Å; W279-W301 HydrophobicContact CH2-CG 3.83Å; W279-W301 HydrophobicContact CZ2-CB 4Å; W279-W301 AromaticContact CZ2-CD1 3.75Å; W279-W301 AromaticContact CZ2-CG 3.82Å; W279-W301 HydrophobicContact CZ2-CG 3.82Å; W279-I307 HydrophobicContact CD2-CD1 3.74Å; W279-I307 HydrophobicContact CD2-CG1 4.4Å; W279-I307 HydrophobicContact CE3-CD1 3.68Å; W279-I307 HydrophobicContact CE3-CG1 3.84Å; W279-I307 HydrophobicContact CH2-CB 4.36Å; W279-I307 HydrophobicContact CH2-CD1 3.38Å; W279-I307 HydrophobicContact CH2-CG1 3.71Å; W279-I307 HydrophobicContact CH2-CG2 3.77Å; W279-I307 HydrophobicContact CZ2-CD1 3.41Å; W279-I307 VanDerWaalsContact CZ2-CD1 3.41Å; W279-I307 HydrophobicContact CZ2-CG1 4.26Å; W279-I307 HydrophobicContact CZ3-CB 4.37Å; W279-I307 HydrophobicContact CZ3-CD1 3.5Å; W279-I307 HydrophobicContact CZ3-CG1 3.46Å; W279-I307 VanDerWaalsContact CZ3-CG1 3.46Å; W279-I307 HydrophobicContact CZ3-CG2 4.13Å; W279-Y314 HydrophobicContact CB-CD1 4.09Å; W279-Y314 HydrophobicContact CB-CG 4.38Å; W279-R315 VanDerWaalsContact CE3-C 3.43Å; W279-G316 VanDerWaalsContact CE3-N 3.32Å; W279-G316 VanDerWaalsContact CZ3-CA 3.45Å; W279-V321 HydrophobicContact CD2-CG1 3.9Å; W279-V321 HydrophobicContact CG-CG1 4.29Å; W279-V321 HydrophobicContact CH2-CB 4.45Å; W279-V321 HydrophobicContact CH2-CG1 4.22Å; W279-V321 HydrophobicContact CZ2-CB 4.03Å; W279-V321 HydrophobicContact CZ2-CG1 3.51Å; W279-A323 PolarHBondContact NE1-O 2.82Å; W279-P325 HydrophobicContact CB-CB 4.22Å; W279-P325 VanDerWaalsContact CD1-CA 3.48Å; W279-P325 HydrophobicContact CD2-CB 4.41Å; W279-P325 HydrophobicContact CG-CB 3.9Å |
| 280 | I | 85.4 | Confident | 73.7 | Confident | 62 Ų | 62 | 74 Ų | 74 | 32% | 0.318 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 122.8 | 174.8 | -63.1 | -178.9 | 0 | 0 | 0 | 109.7 | L278 I282 Y314 R315 E317 | L278-I280 HydrophobicContact CD2-CD1 4.18Å; L278-I280 HydrophobicContact CD2-CG1 3.86Å; L278-I280 HydrophobicContact CG-CG1 4.21Å; I280-I282 PolarHBondContact O-N 2.88Å; I280-Y314 CarbonylContact O-C 3.59Å; I280-Y314 VanDerWaalsContact O-CA 3.3Å; I280-Y314 WeakPolarHBondContact O-CA 3.37Å; I280-R315 PolarHBondContact N-O 3.42Å; I280-R315 PolarHBondContact O-N 2.95Å; I280-E317 HydrophobicContact CD1-CG 3.8Å; I280-E317 VanDerWaalsContact CD1-OE1 3.24Å; I280-E317 WeakPolarHBondContact CD1-OE1 3.22Å; I280-E317 WeakPolarHBondContact CD1-OE2 3.33Å; I280-E317 HydrophobicContact CG1-CG 4.49Å |
| 281 | R | 83.7 | Confident | 72.1 | Confident | 126 Ų | 126 | 80.7 Ų | 80.7 | 48% | 0.475 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 120.1 | 175.7 | -174.7 | 176.5 | 173.3 | -174.9 | -2.2 | 110.5 | Y314 | R281-Y314 HydrophobicContact CB-CD1 3.97Å; R281-Y314 HydrophobicContact CB-CE1 3.75Å; R281-Y314 HydrophobicContact CG-CE1 4.13Å |
| 282 | I | 82.7 | Confident | 71.1 | Confident | 47 Ų | 47 | 83 Ų | 83 | 24% | 0.241 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -85.5 | 118.4 | 172.9 | -52.1 | 171.2 | 0 | 0 | 0 | 108.7 | I280 F285 I313 R315 | I280-I282 PolarHBondContact O-N 2.88Å; I282-F285 HydrophobicContact CD1-CD2 3.95Å; I282-F285 HydrophobicContact CD1-CE2 4.14Å; I282-F285 HydrophobicContact CG2-CB 4.41Å; I282-F285 HydrophobicContact CG2-CD2 4.08Å; I282-I313 HydrophobicContact CD1-CG2 4.27Å; I282-I313 PolarHBondContact N-O 3.5Å; I282-R315 HydrophobicContact CD1-CB 4.05Å; I282-R315 HydrophobicContact CG1-CB 4.23Å |
| 283 | K | 74.4 | Confident | 70.3 | Confident | 180 Ų | 180 | 85.7 Ų | 85.7 | 78% | 0.783 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -82.2 | -33.7 | 179.8 | -68.8 | -178.2 | -179.6 | 177.1 | 0 | 113.2 | ||
| 284 | N | 61.7 | Low | 69.9 | Low | 152 Ų | 152 | 91.2 Ų | 91.2 | 81% | 0.813 | 45% | 0.452 | S | S | * | . | trans | -123.1 | 79.1 | -173.7 | -69 | -9.7 | 0 | 0 | 0 | 110.4 | ||||
| 285 | F | 56.8 | Low | 69.8 | Low | 75 Ų | 75 | 91.9 Ų | 91.9 | 33% | 0.329 | 45% | 0.452 | S | S | . | . | trans | -94 | 98.8 | 170.5 | -149.3 | -97.2 | 0 | 0 | 0 | 108.4 | I282 V287 I313 | I282-F285 HydrophobicContact CD1-CD2 3.95Å; I282-F285 HydrophobicContact CD1-CE2 4.14Å; I282-F285 HydrophobicContact CG2-CB 4.41Å; I282-F285 HydrophobicContact CG2-CD2 4.08Å; F285-V287 PolarHBondContact O-N 3.28Å; F285-V287 VanDerWaalsContact O-N 3.1Å; F285-I313 HydrophobicContact CB-CD1 4Å; F285-I313 HydrophobicContact CD1-CD1 4.38Å; F285-I313 HydrophobicContact CG-CD1 4.22Å | ||
| 286 | R | 53 | Low | 69.7 | Low | 236 Ų | 236 | 93.5 Ų | 93.5 | 89% | 0.891 | 46% | 0.464 | S | S | * | . | trans | -68.3 | 107.6 | 163.9 | -70 | -173 | -171.8 | -178.8 | 3.3 | 106 | S288 | R286-S288 PolarHBondContact O-N 3.41Š| ||
| 287 | V | 46.1 | Very low | 69.5 | Low | 141 Ų | 141 | 96.6 Ų | 96.6 | 86% | 0.855 | 48% | 0.481 | S | S | * | . | trans | -2.4 | 96.7 | 160.5 | -175.7 | 0 | 0 | 0 | 0 | 112 | F285 | F285-V287 PolarHBondContact O-N 3.28Å; F285-V287 VanDerWaalsContact O-N 3.1Å | ||
| 288 | S | 45.5 | Very low | 69.2 | Low | 75 Ų | 75 | 100.5 Ų | 100.5 | 52% | 0.524 | 51% | 0.505 | S | S | . | . | trans | -134.6 | 126.1 | 159.3 | -155.4 | 0 | 0 | 0 | 0 | 107.6 | R286 M290 | R286-S288 PolarHBondContact O-N 3.41Å; S288-M290 PolarHBondContact O-N 3.37Å | ||
| 289 | Q | 48.8 | Very low | 69 | Low | 193 Ų | 193 | 101.8 Ų | 101.8 | 90% | 0.902 | 51% | 0.511 | S | S | * | . | trans | -63.4 | 63.5 | -172.9 | -64.6 | 159.8 | -52.9 | 0 | 0 | 111.9 | ||||
| 290 | M | 52.6 | Low | 68.7 | Low | 141 Ų | 141 | 101.6 Ų | 101.6 | 70% | 0.695 | 51% | 0.511 | S | S | * | . | trans | -91.7 | 133.1 | 163.4 | -75.2 | -153.8 | 167.5 | 0 | 0 | 108.6 | S288 H292 | S288-M290 PolarHBondContact O-N 3.37Å; M290-H292 PolarHBondContact O-N 2.81Å | ||
| 291 | L | 51.8 | Low | 68.6 | Low | 169 Ų | 169 | 99.3 Ų | 99.3 | 89% | 0.885 | 50% | 0.498 | S | S | * | . | trans | -49.2 | 104.5 | 173 | -121.5 | 95.6 | 0 | 0 | 0 | 108.3 | T293 | L291-T293 PolarHBondContact O-N 3.46Š| ||
| 292 | H | 62 | Low | 68.5 | Low | 79 Ų | 79 | 94.5 Ų | 94.5 | 37% | 0.366 | 48% | 0.483 | S | S | . | . | trans | -78.8 | 107.9 | 177.4 | -67.4 | -56.8 | 0 | 0 | 0 | 107.8 | M290 V294 K308 | M290-H292 PolarHBondContact O-N 2.81Å; H292-V294 PolarHBondContact O-N 2.89Å; H292-K308 HydrophobicContact CB-CB 4.46Å | ||
| 293 | T | 70.8 | Confident | 68.5 | Low | 57 Ų | 57 | 97.2 Ų | 97.2 | 35% | 0.35 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 128 | 170.6 | 48.7 | 0 | 0 | 0 | 0 | 108.7 | L291 W301 K308 | L291-T293 PolarHBondContact O-N 3.46Å; T293-W301 HydrophobicContact CG2-CZ3 4.45Å; T293-W301 WeakPolarHBondContact OG1-CZ3 3.37Å; T293-K308 PolarHBondContact O-N 3.19Å |
| 294 | V | 78 | Confident | 68.9 | Low | 122 Ų | 122 | 90 Ų | 90 | 74% | 0.739 | 48% | 0.475 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 133.3 | 170.9 | 179.8 | 0 | 0 | 0 | 0 | 107.2 | H292 | H292-V294 PolarHBondContact O-N 2.89Å |
| 295 | W | 82 | Confident | 69.9 | Low | 30 Ų | 30 | 84.1 Ų | 84.1 | 11% | 0.114 | 45% | 0.445 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 141.6 | 179.1 | 177.5 | 79.6 | 0 | 0 | 0 | 111.3 | D297 W301 I307 H309 Q324 P325 | W295-D297 HydrophobicContact CH2-CB 4.24Å; W295-D297 WeakPolarHBondContact CH2-OD1 3.41Å; W295-D297 WeakPolarHBondContact CH2-OD2 3.32Å; W295-D297 WeakPolarHBondContact CZ2-OD1 3.44Å; W295-D297 WeakPolarHBondContact CZ3-OD2 3.27Å; W295-W301 AromaticContact CD1-NE1 3.5Å; W295-W301 AromaticContact NE1-NE1 3.81Å; W295-I307 HydrophobicContact CB-CB 4.38Å; W295-I307 HydrophobicContact CB-CD1 3.92Å; W295-I307 HydrophobicContact CG-CD1 3.85Å; W295-H309 HydrophobicContact CB-CB 4.31Å; W295-H309 AromaticContact CD2-CD2 3.93Å; W295-H309 AromaticContact CE3-CD2 3.43Å; W295-H309 VanDerWaalsContact CE3-CD2 3.43Å; W295-H309 AromaticContact CE3-NE2 3.64Å; W295-H309 AromaticContact CZ3-NE2 3.75Å; W295-Q324 HydrophobicContact CH2-CG 3.92Å; W295-Q324 HydrophobicContact CZ2-CB 4.34Å; W295-Q324 HydrophobicContact CZ2-CG 3.85Å; W295-P325 HydrophobicContact CD2-CG 4.21Å; W295-P325 HydrophobicContact CG-CG 4.22Å |
| 296 | S | 82.5 | Confident | 71.2 | Confident | 40 Ų | 40 | 82.2 Ų | 82.2 | 28% | 0.28 | 44% | 0.44 | S | S | . | . | trans | -129.1 | 138.4 | 176.1 | 179.9 | 0 | 0 | 0 | 0 | 109.2 | T298 | S296-T298 PolarHBondContact O-N 3.2Å; S296-T298 PolarHBondContact OG-N 3.29Å; S296-T298 PolarHBondContact OG-OG1 2.85Å; S296-T298 VanDerWaalsContact OG-OG1 3.05Å | ||
| 297 | D | 81.8 | Confident | 72.8 | Confident | 65 Ų | 65 | 71 Ų | 71 | 35% | 0.348 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -26.1 | 177.7 | -92.1 | -61.5 | 0 | 0 | 0 | 112.8 | R189 W295 Q324 | R189-D297 IonicContact CZ-OD1 3.38Å; R189-D297 PolarHBondContact NH1-O 2.98Å; R189-D297 IonicContact NH1-OD1 2.66Å; R189-D297 PolarHBondContact NH1-OD1 2.99Å; R189-D297 PolarHBondContact NH2-O 2.85Å; R189-D297 VanDerWaalsContact NH2-O 3.11Å; R189-D297 IonicContact NH2-OD1 3.96Å; W295-D297 HydrophobicContact CH2-CB 4.24Å; W295-D297 WeakPolarHBondContact CH2-OD1 3.41Å; W295-D297 WeakPolarHBondContact CH2-OD2 3.32Å; W295-D297 WeakPolarHBondContact CZ2-OD1 3.44Å; W295-D297 WeakPolarHBondContact CZ3-OD2 3.27Å; D297-Q324 PolarHBondContact OD1-NE2 2.9Å |
| 298 | T | 80.1 | Confident | 74.5 | Confident | 85 Ų | 85 | 69.7 Ų | 69.7 | 52% | 0.521 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -11.1 | -170.2 | 56.4 | 0 | 0 | 0 | 0 | 114.7 | P185 S296 | P185-T298 WeakPolarHBondContact CG-O 3.47Å; S296-T298 PolarHBondContact O-N 3.2Å; S296-T298 PolarHBondContact OG-N 3.29Å; S296-T298 PolarHBondContact OG-OG1 2.85Å; S296-T298 VanDerWaalsContact OG-OG1 3.05Å |
| 299 | L | 81.9 | Confident | 76.2 | Confident | 52 Ų | 52 | 68 Ų | 68 | 27% | 0.272 | 36% | 0.364 | S | S | . | . | trans | -104.8 | 137.7 | -174.3 | -75.9 | 159.2 | 0 | 0 | 0 | 111.2 | W301 | L299-W301 PolarHBondContact O-NE1 2.97Š| ||
| 300 | L | 80.5 | Confident | 77.7 | Confident | 6 Ų | 6 | 64.2 Ų | 64.2 | 3% | 0.031 | 35% | 0.35 | C | S | . | . | B | Isolated β-bridge | trans | -80.7 | 130.8 | 161.8 | -75.8 | 167.7 | 0 | 0 | 0 | 109.4 | G3 L4 S5 T8 V183 P185 I188 C320 A322 | G3-L300 PolarHBondContact O-N 2.98Å; G3-L300 VanDerWaalsContact O-N 3.12Å; L4-L300 HydrophobicContact CD1-CD1 3.95Å; S5-L300 WeakPolarHBondContact CB-O 3.14Å; S5-L300 PolarHBondContact N-O 3.41Å; S5-L300 PolarHBondContact OG-O 2.88Å; T8-L300 HydrophobicContact CG2-CB 3.9Å; T8-L300 PolarHBondContact OG1-O 3.5Å; V183-L300 HydrophobicContact CG1-CD1 4.13Å; V183-L300 WeakPolarHBondContact O-CD1 3.07Å; P185-L300 HydrophobicContact CB-CD2 4.26Å; P185-L300 HydrophobicContact CB-CG 4.44Å; I188-L300 HydrophobicContact CD1-CD2 4.15Å; L300-C320 HydrophobicContact CD2-CB 4.48Å; L300-A322 HydrophobicContact CD2-CB 3.65Å |
| 301 | W | 83.5 | Confident | 79 | Confident | 14 Ų | 14 | 67.1 Ų | 67.1 | 5% | 0.053 | 36% | 0.359 | C | S | . | . | B | Isolated β-bridge | trans | -96.6 | 143.6 | -178.9 | -62.5 | 87 | 0 | 0 | 0 | 110.9 | W279 T293 W295 L299 C305 I307 C320 V321 | W279-W301 HydrophobicContact CH2-CB 3.83Å; W279-W301 HydrophobicContact CH2-CD2 4.37Å; W279-W301 AromaticContact CH2-CG 3.83Å; W279-W301 HydrophobicContact CH2-CG 3.83Å; W279-W301 HydrophobicContact CZ2-CB 4Å; W279-W301 AromaticContact CZ2-CD1 3.75Å; W279-W301 AromaticContact CZ2-CG 3.82Å; W279-W301 HydrophobicContact CZ2-CG 3.82Å; T293-W301 HydrophobicContact CG2-CZ3 4.45Å; T293-W301 WeakPolarHBondContact OG1-CZ3 3.37Å; W295-W301 AromaticContact CD1-NE1 3.5Å; W295-W301 AromaticContact NE1-NE1 3.81Å; L299-W301 PolarHBondContact O-NE1 2.97Å; W301-C305 HydrophobicContact CE3-CB 4.45Å; W301-I307 HydrophobicContact CD2-CG2 3.9Å; W301-I307 HydrophobicContact CE3-CG2 3.73Å; W301-I307 HydrophobicContact CH2-CG2 3.99Å; W301-I307 HydrophobicContact CZ2-CG2 4.16Å; W301-I307 HydrophobicContact CZ3-CG2 3.78Å; W301-C320 WeakPolarHBondContact O-CA 3.09Å; W301-V321 HydrophobicContact CB-CB 4.24Å; W301-V321 PolarHBondContact N-O 3.48Å; W301-V321 PolarHBondContact O-N 3.42Å |
| 302 | P | 82.3 | Confident | 80.5 | Confident | 25 Ų | 25 | 64.1 Ų | 64.1 | 16% | 0.162 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -82.1 | 163.7 | 179.3 | 34.5 | -28 | 0 | 0 | 0 | 110.7 | S5 C305 | S5-P302 VanDerWaalsContact OG-CD 3.28Å; S5-P302 WeakPolarHBondContact OG-CD 3.32Å; P302-C305 HydrophobicContact CG-CB 4.12Å; P302-C305 VanDerWaalsContact O-CB 3.3Å; P302-C305 WeakPolarHBondContact O-CB 3.47Å; P302-C305 PolarHBondContact O-N 3.39Å |
| 303 | D | 82.8 | Confident | 81.4 | Confident | 105 Ų | 105 | 62.1 Ų | 62.1 | 56% | 0.561 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 140.1 | 179.7 | -164.9 | 22.5 | 0 | 0 | 0 | 112 | C305 G318 | D303-C305 PolarHBondContact O-N 2.97Å; D303-G318 WeakPolarHBondContact CA-O 3.4Å; D303-G318 WeakPolarHBondContact CB-O 3.31Å; D303-G318 VanDerWaalsContact CG-O 3.29Å; D303-G318 PolarHBondContact OD1-N 3.06Å |
| 304 | G | 81.9 | Confident | 82.1 | Confident | 28 Ų | 28 | 60 Ų | 60 | 29% | 0.289 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 1.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | G316 | G304-G316 VanDerWaalsContact CA-O 3.32Å; G304-G316 WeakPolarHBondContact CA-O 3.21Å; G304-G316 PolarHBondContact N-O 3.23Å |
| 305 | C | 83.9 | Confident | 82.5 | Confident | 28 Ų | 28 | 59.7 Ų | 59.7 | 19% | 0.189 | 30% | 0.299 | C | S | . | . | trans | -62.1 | 144.1 | 177.9 | -170.6 | 0 | 0 | 0 | 0 | 111.8 | W301 P302 D303 R315 G316 | W301-C305 HydrophobicContact CE3-CB 4.45Å; P302-C305 HydrophobicContact CG-CB 4.12Å; P302-C305 VanDerWaalsContact O-CB 3.3Å; P302-C305 WeakPolarHBondContact O-CB 3.47Å; P302-C305 PolarHBondContact O-N 3.39Å; D303-C305 PolarHBondContact O-N 2.97Å; C305-R315 WeakPolarHBondContact O-CA 3.49Å; C305-G316 PolarHBondContact O-N 3.31Å | ||
| 306 | V | 84.2 | Confident | 82.6 | Confident | 36 Ų | 36 | 58.2 Ų | 58.2 | 22% | 0.218 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 114.9 | 179.6 | -176.7 | 0 | 0 | 0 | 0 | 109.4 | I313 Y314 | V306-I313 HydrophobicContact CG1-CG2 3.36Å; V306-Y314 WeakPolarHBondContact CA-O 3.06Å |
| 307 | I | 84.7 | Confident | 82.7 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 153.2 | -179.5 | 62.3 | 169.8 | 0 | 0 | 0 | 111.1 | W279 W295 W301 I313 Y314 P325 | W279-I307 HydrophobicContact CD2-CD1 3.74Å; W279-I307 HydrophobicContact CD2-CG1 4.4Å; W279-I307 HydrophobicContact CE3-CD1 3.68Å; W279-I307 HydrophobicContact CE3-CG1 3.84Å; W279-I307 HydrophobicContact CH2-CB 4.36Å; W279-I307 HydrophobicContact CH2-CD1 3.38Å; W279-I307 HydrophobicContact CH2-CG1 3.71Å; W279-I307 HydrophobicContact CH2-CG2 3.77Å; W279-I307 HydrophobicContact CZ2-CD1 3.41Å; W279-I307 VanDerWaalsContact CZ2-CD1 3.41Å; W279-I307 HydrophobicContact CZ2-CG1 4.26Å; W279-I307 HydrophobicContact CZ3-CB 4.37Å; W279-I307 HydrophobicContact CZ3-CD1 3.5Å; W279-I307 HydrophobicContact CZ3-CG1 3.46Å; W279-I307 VanDerWaalsContact CZ3-CG1 3.46Å; W279-I307 HydrophobicContact CZ3-CG2 4.13Å; W295-I307 HydrophobicContact CB-CB 4.38Å; W295-I307 HydrophobicContact CB-CD1 3.92Å; W295-I307 HydrophobicContact CG-CD1 3.85Å; W301-I307 HydrophobicContact CD2-CG2 3.9Å; W301-I307 HydrophobicContact CE3-CG2 3.73Å; W301-I307 HydrophobicContact CH2-CG2 3.99Å; W301-I307 HydrophobicContact CZ2-CG2 4.16Å; W301-I307 HydrophobicContact CZ3-CG2 3.78Å; I307-I313 WeakPolarHBondContact O-CA 3.09Å; I307-Y314 PolarHBondContact N-O 3.32Å; I307-Y314 PolarHBondContact O-N 3.24Å; I307-P325 HydrophobicContact CD1-CB 4.12Å; I307-P325 HydrophobicContact CD1-CG 4.02Å |
| 308 | K | 82.8 | Confident | 82.6 | Confident | 114 Ų | 114 | 58 Ų | 58 | 50% | 0.496 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 123.4 | 168.8 | -173.2 | 177.4 | 177.6 | -178.7 | 0 | 109.6 | H292 T293 | H292-K308 HydrophobicContact CB-CB 4.46Å; T293-K308 PolarHBondContact O-N 3.19Å |
| 309 | H | 80.7 | Confident | 82.5 | Confident | 39 Ų | 39 | 55.6 Ų | 55.6 | 18% | 0.181 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 132.6 | 176.7 | -172.6 | -96.2 | 0 | 0 | 0 | 110 | W295 K311 R312 Y314 P325 D326 | W295-H309 HydrophobicContact CB-CB 4.31Å; W295-H309 AromaticContact CD2-CD2 3.93Å; W295-H309 AromaticContact CE3-CD2 3.43Å; W295-H309 VanDerWaalsContact CE3-CD2 3.43Å; W295-H309 AromaticContact CE3-NE2 3.64Å; W295-H309 AromaticContact CZ3-NE2 3.75Å; H309-K311 VanDerWaalsContact C-N 3.34Å; H309-K311 PolarHBondContact O-N 3.14Å; H309-R312 PolarHBondContact N-O 2.86Å; H309-R312 CarbonylContact O-C 3.58Å; H309-R312 WeakPolarHBondContact O-CA 3.42Å; H309-R312 PolarHBondContact O-N 3.46Å; H309-Y314 HydrophobicContact CB-CD2 4.22Å; H309-Y314 HydrophobicContact CB-CE2 4.22Å; H309-P325 HydrophobicContact CB-CB 4.28Å; H309-P325 HydrophobicContact CB-CG 3.63Å; H309-P325 VanDerWaalsContact CG-CG 3.48Å; H309-D326 IonicContact CE1-OD2 2.74Å; H309-D326 PolarHBondContact CE1-OD2 3.31Å; H309-D326 IonicContact ND1-OD2 3.87Å; H309-D326 PolarHBondContact ND1-OD2 2.99Å |
| 310 | N | 81.5 | Confident | 82.5 | Confident | 113 Ų | 113 | 53.3 Ų | 53.3 | 60% | 0.604 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.7 | 51.1 | 179.4 | -74.9 | -19.1 | 0 | 0 | 0 | 115.2 | R312 D326 | N310-R312 PolarHBondContact O-N 3.21Å; N310-D326 WeakPolarHBondContact CB-OD2 3.24Å; N310-D326 PolarHBondContact ND2-OD2 3.48Å |
| 311 | K | 79.6 | Confident | 82.7 | Confident | 202 Ų | 202 | 53 Ų | 53 | 88% | 0.878 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61 | 10.5 | -179 | -53.8 | 177.4 | -180 | 176.6 | 0 | 114.8 | H309 | H309-K311 VanDerWaalsContact C-N 3.34Å; H309-K311 PolarHBondContact O-N 3.14Å |
| 312 | R | 82.1 | Confident | 82.8 | Confident | 107 Ų | 107 | 52.4 Ų | 52.4 | 40% | 0.404 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 155.3 | 175.4 | -64.8 | 172.5 | -178.5 | -179.4 | 3.5 | 109.5 | H309 N310 Y314 | H309-R312 PolarHBondContact N-O 2.86Å; H309-R312 CarbonylContact O-C 3.58Å; H309-R312 WeakPolarHBondContact O-CA 3.42Å; H309-R312 PolarHBondContact O-N 3.46Å; N310-R312 PolarHBondContact O-N 3.21Å; R312-Y314 HydrophobicContact CB-CD2 4.36Å; R312-Y314 HydrophobicContact CB-CE2 3.58Å; R312-Y314 VanDerWaalsContact CD-OH 3.29Å; R312-Y314 WeakPolarHBondContact CD-OH 3.46Å |
| 313 | I | 81.8 | Confident | 83 | Confident | 37 Ų | 37 | 51.4 Ų | 51.4 | 19% | 0.19 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 130.7 | 179.6 | -56.7 | 174 | 0 | 0 | 0 | 107.6 | I282 F285 V306 I307 | I282-I313 HydrophobicContact CD1-CG2 4.27Å; I282-I313 PolarHBondContact N-O 3.5Å; F285-I313 HydrophobicContact CB-CD1 4Å; F285-I313 HydrophobicContact CD1-CD1 4.38Å; F285-I313 HydrophobicContact CG-CD1 4.22Å; V306-I313 HydrophobicContact CG1-CG2 3.36Å; I307-I313 WeakPolarHBondContact O-CA 3.09Å |
| 314 | Y | 85.4 | Confident | 83.2 | Confident | 11 Ų | 11 | 50 Ų | 50 | 4% | 0.043 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 142.8 | -179.2 | -62.6 | -87 | 0 | 0 | 0 | 110.2 | W279 I280 R281 V306 I307 H309 R312 P325 D326 | W279-Y314 HydrophobicContact CB-CD1 4.09Å; W279-Y314 HydrophobicContact CB-CG 4.38Å; I280-Y314 CarbonylContact O-C 3.59Å; I280-Y314 VanDerWaalsContact O-CA 3.3Å; I280-Y314 WeakPolarHBondContact O-CA 3.37Å; R281-Y314 HydrophobicContact CB-CD1 3.97Å; R281-Y314 HydrophobicContact CB-CE1 3.75Å; R281-Y314 HydrophobicContact CG-CE1 4.13Å; V306-Y314 WeakPolarHBondContact CA-O 3.06Å; I307-Y314 PolarHBondContact N-O 3.32Å; I307-Y314 PolarHBondContact O-N 3.24Å; H309-Y314 HydrophobicContact CB-CD2 4.22Å; H309-Y314 HydrophobicContact CB-CE2 4.22Å; R312-Y314 HydrophobicContact CB-CD2 4.36Å; R312-Y314 HydrophobicContact CB-CE2 3.58Å; R312-Y314 VanDerWaalsContact CD-OH 3.29Å; R312-Y314 WeakPolarHBondContact CD-OH 3.46Å; Y314-P325 HydrophobicContact CD1-CB 4.22Å; Y314-P325 HydrophobicContact CD2-CB 3.59Å; Y314-P325 HydrophobicContact CE1-CB 4.45Å; Y314-P325 VanDerWaalsContact CE1-O 3.32Å; Y314-P325 WeakPolarHBondContact CE1-O 3.05Å; Y314-P325 HydrophobicContact CE2-CB 3.82Å; Y314-P325 HydrophobicContact CG-CB 3.8Å; Y314-D326 PolarHBondContact OH-OD1 3.29Å |
| 315 | R | 85.9 | Confident | 83.2 | Confident | 116 Ų | 116 | 49.1 Ų | 49.1 | 44% | 0.438 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 131.3 | 170.9 | -172.6 | -179.5 | -178.5 | -147.8 | 1.1 | 109.3 | W279 I280 I282 C305 E317 | W279-R315 VanDerWaalsContact CE3-C 3.43Å; I280-R315 PolarHBondContact N-O 3.42Å; I280-R315 PolarHBondContact O-N 2.95Å; I282-R315 HydrophobicContact CD1-CB 4.05Å; I282-R315 HydrophobicContact CG1-CB 4.23Å; C305-R315 WeakPolarHBondContact O-CA 3.49Å; R315-E317 IonicContact NH1-OE1 3.58Å |
| 316 | G | 84.3 | Confident | 83.2 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 132.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | L278 W279 G304 C305 | L278-G316 CarbonylContact O-C 3.58Å; L278-G316 WeakPolarHBondContact O-CA 3.2Å; W279-G316 VanDerWaalsContact CE3-N 3.32Å; W279-G316 VanDerWaalsContact CZ3-CA 3.45Å; G304-G316 VanDerWaalsContact CA-O 3.32Å; G304-G316 WeakPolarHBondContact CA-O 3.21Å; G304-G316 PolarHBondContact N-O 3.23Å; C305-G316 PolarHBondContact O-N 3.31Å |
| 317 | E | 83.9 | Confident | 83.1 | Confident | 80 Ų | 80 | 50 Ų | 50 | 37% | 0.374 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 124.4 | 166.9 | -73.9 | -166 | 175.5 | 0 | 0 | 109.5 | L278 I280 R315 | L278-E317 HydrophobicContact CB-CB 4.49Å; L278-E317 PolarHBondContact N-O 2.77Å; L278-E317 PolarHBondContact O-N 2.97Å; I280-E317 HydrophobicContact CD1-CG 3.8Å; I280-E317 VanDerWaalsContact CD1-OE1 3.24Å; I280-E317 WeakPolarHBondContact CD1-OE1 3.22Å; I280-E317 WeakPolarHBondContact CD1-OE2 3.33Å; I280-E317 HydrophobicContact CG1-CG 4.49Å; R315-E317 IonicContact NH1-OE1 3.58Å |
| 318 | G | 80.2 | Confident | 82.9 | Confident | 20 Ų | 20 | 53.8 Ų | 53.8 | 21% | 0.206 | 26% | 0.259 | C | S | . | . | S | Bend | trans | 133.4 | 163.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D303 C320 | D303-G318 WeakPolarHBondContact CA-O 3.4Å; D303-G318 WeakPolarHBondContact CB-O 3.31Å; D303-G318 VanDerWaalsContact CG-O 3.29Å; D303-G318 PolarHBondContact OD1-N 3.06Å; G318-C320 PolarHBondContact O-N 3.07Å |
| 319 | P | 77.7 | Confident | 82.8 | Confident | 35 Ų | 35 | 52.8 Ų | 52.8 | 23% | 0.227 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -61.8 | -30.4 | -177.1 | 26.3 | -34.8 | 0 | 0 | 0 | 113 | V11 V274 | V11-P319 HydrophobicContact CG2-CB 3.78Å; V11-P319 HydrophobicContact CG2-CG 3.59Å; V274-P319 HydrophobicContact CG1-CG 3.82Å |
| 320 | C | 82.3 | Confident | 82.9 | Confident | 4 Ų | 4 | 51.1 Ų | 51.1 | 3% | 0.027 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -146.2 | 147 | 166.5 | 58.8 | 0 | 0 | 0 | 0 | 108.8 | T8 L300 W301 G318 | T8-C320 HydrophobicContact CG2-CB 3.7Å; L300-C320 HydrophobicContact CD2-CB 4.48Å; W301-C320 WeakPolarHBondContact O-CA 3.09Å; G318-C320 PolarHBondContact O-N 3.07Å |
| 321 | V | 85.8 | Confident | 82.9 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | B | Isolated β-bridge | trans | -120.9 | 110 | 178.6 | -170.8 | 0 | 0 | 0 | 0 | 109.5 | W279 W301 A323 | W279-V321 HydrophobicContact CD2-CG1 3.9Å; W279-V321 HydrophobicContact CG-CG1 4.29Å; W279-V321 HydrophobicContact CH2-CB 4.45Å; W279-V321 HydrophobicContact CH2-CG1 4.22Å; W279-V321 HydrophobicContact CZ2-CB 4.03Å; W279-V321 HydrophobicContact CZ2-CG1 3.51Å; W301-V321 HydrophobicContact CB-CB 4.24Å; W301-V321 PolarHBondContact N-O 3.48Å; W301-V321 PolarHBondContact O-N 3.42Å; V321-A323 HydrophobicContact CG1-CB 4.35Å |
| 322 | A | 85.9 | Confident | 83 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -102.4 | -15.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | P185 I188 R189 L276 L300 | P185-A322 HydrophobicContact CB-CB 4.18Å; I188-A322 HydrophobicContact CB-CB 4.17Å; I188-A322 HydrophobicContact CD1-CB 4.03Å; I188-A322 HydrophobicContact CG2-CB 3.97Å; R189-A322 PolarHBondContact NE-O 3.39Å; R189-A322 PolarHBondContact NH2-O 3.2Å; L276-A322 PolarHBondContact O-N 2.85Å; L300-A322 HydrophobicContact CD2-CB 3.65Å | ||
| 323 | A | 85.7 | Confident | 83 | Confident | 5 Ų | 5 | 44.7 Ų | 44.7 | 4% | 0.041 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -55 | 154.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L276 W279 V321 | L276-A323 HydrophobicContact CD1-CB 4.13Å; L276-A323 HydrophobicContact CG-CB 4.04Å; L276-A323 PolarHBondContact O-N 2.87Å; W279-A323 PolarHBondContact NE1-O 2.82Å; V321-A323 HydrophobicContact CG1-CB 4.35Å |
| 324 | Q | 87.7 | Confident | 82.8 | Confident | 74 Ų | 74 | 45.9 Ų | 45.9 | 35% | 0.346 | 22% | 0.217 | S | C | . | . | trans | -84.6 | 125 | 166.6 | -70.5 | -176.1 | -31.1 | 0 | 0 | 109.4 | W295 D297 D326 S327 | W295-Q324 HydrophobicContact CH2-CG 3.92Å; W295-Q324 HydrophobicContact CZ2-CB 4.34Å; W295-Q324 HydrophobicContact CZ2-CG 3.85Å; D297-Q324 PolarHBondContact OD1-NE2 2.9Å; Q324-D326 PolarHBondContact O-N 2.75Å; Q324-S327 PolarHBondContact O-N 2.97Å; Q324-S327 VanDerWaalsContact O-N 3.13Å | ||
| 325 | P | 82 | Confident | 82.3 | Confident | 11 Ų | 11 | 50.2 Ų | 50.2 | 7% | 0.071 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -23.7 | -171.5 | 22 | -32.7 | 0 | 0 | 0 | 114.8 | W279 W295 I307 H309 Y314 | W279-P325 HydrophobicContact CB-CB 4.22Å; W279-P325 VanDerWaalsContact CD1-CA 3.48Å; W279-P325 HydrophobicContact CD2-CB 4.41Å; W279-P325 HydrophobicContact CG-CB 3.9Å; W295-P325 HydrophobicContact CD2-CG 4.21Å; W295-P325 HydrophobicContact CG-CG 4.22Å; I307-P325 HydrophobicContact CD1-CB 4.12Å; I307-P325 HydrophobicContact CD1-CG 4.02Å; H309-P325 HydrophobicContact CB-CB 4.28Å; H309-P325 HydrophobicContact CB-CG 3.63Å; H309-P325 VanDerWaalsContact CG-CG 3.48Å; Y314-P325 HydrophobicContact CD1-CB 4.22Å; Y314-P325 HydrophobicContact CD2-CB 3.59Å; Y314-P325 HydrophobicContact CE1-CB 4.45Å; Y314-P325 VanDerWaalsContact CE1-O 3.32Å; Y314-P325 WeakPolarHBondContact CE1-O 3.05Å; Y314-P325 HydrophobicContact CE2-CB 3.82Å; Y314-P325 HydrophobicContact CG-CB 3.8Å |
| 326 | D | 82.1 | Confident | 81.6 | Confident | 59 Ų | 59 | 47.8 Ų | 47.8 | 32% | 0.316 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 3.1 | 178.1 | -78.7 | -26.1 | 0 | 0 | 0 | 114.1 | H309 N310 Y314 Q324 D328 | H309-D326 IonicContact CE1-OD2 2.74Å; H309-D326 PolarHBondContact CE1-OD2 3.31Å; H309-D326 IonicContact ND1-OD2 3.87Å; H309-D326 PolarHBondContact ND1-OD2 2.99Å; N310-D326 WeakPolarHBondContact CB-OD2 3.24Å; N310-D326 PolarHBondContact ND2-OD2 3.48Å; Y314-D326 PolarHBondContact OH-OD1 3.29Å; Q324-D326 PolarHBondContact O-N 2.75Å; D326-D328 PolarHBondContact O-N 3.45Å |
| 327 | S | 82 | Confident | 80.8 | Confident | 24 Ų | 24 | 48.2 Ų | 48.2 | 17% | 0.168 | 25% | 0.25 | C | S | . | . | trans | -84.1 | 106.7 | 178.2 | -179.1 | 0 | 0 | 0 | 0 | 111.3 | Q324 D329 Q330 R331 | Q324-S327 PolarHBondContact O-N 2.97Å; Q324-S327 VanDerWaalsContact O-N 3.13Å; S327-D329 VanDerWaalsContact C-N 3.27Å; S327-D329 PolarHBondContact O-N 2.96Å; S327-Q330 PolarHBondContact OG-N 2.73Å; S327-R331 PolarHBondContact O-N 3.42Å | ||
| 328 | D | 82.1 | Confident | 80.2 | Confident | 79 Ų | 79 | 49.1 Ų | 49.1 | 42% | 0.422 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.6 | -30.7 | 173.7 | -84.4 | -34.2 | 0 | 0 | 0 | 112.1 | D326 R331 R332 | D326-D328 PolarHBondContact O-N 3.45Å; D328-R331 PolarHBondContact O-N 2.77Å; D328-R331 IonicContact OD1-CZ 3.02Å; D328-R331 VanDerWaalsContact OD1-CZ 3.31Å; D328-R331 IonicContact OD1-NH1 3.01Å; D328-R331 PolarHBondContact OD1-NH1 2.92Å; D328-R331 IonicContact OD1-NH2 3.32Å; D328-R331 PolarHBondContact OD1-NH2 3.2Å; D328-R332 WeakPolarHBondContact O-CB 3.46Å; D328-R332 VanDerWaalsContact O-CG 3.24Å; D328-R332 WeakPolarHBondContact O-CG 3.47Å; D328-R332 PolarHBondContact O-N 3.03Å |
| 329 | D | 80.4 | Confident | 80.1 | Confident | 92 Ų | 92 | 49.7 Ų | 49.7 | 49% | 0.492 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -68.4 | -43.2 | -179.1 | -67.3 | -28.2 | 0 | 0 | 0 | 111.5 | S327 R331 R332 F333 | S327-D329 VanDerWaalsContact C-N 3.27Å; S327-D329 PolarHBondContact O-N 2.96Å; D329-R331 VanDerWaalsContact C-N 3.34Å; D329-R331 PolarHBondContact O-N 3.19Å; D329-R332 PolarHBondContact O-N 3.47Å; D329-F333 WeakPolarHBondContact O-CB 3.46Å; D329-F333 PolarHBondContact O-N 2.6Å |
| 330 | Q | 82 | Confident | 80.2 | Confident | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.019 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.6 | -37.3 | 175.8 | -72.1 | 177.8 | -1.1 | 0 | 0 | 111.7 | L276 S327 F333 H334 | L276-Q330 HydrophobicContact CD2-CB 4.01Å; L276-Q330 HydrophobicContact CD2-CG 4.19Å; S327-Q330 PolarHBondContact OG-N 2.73Å; Q330-F333 PolarHBondContact O-N 2.9Å; Q330-H334 PolarHBondContact O-N 3.28Å; Q330-H334 VanDerWaalsContact O-N 3.07Å |
| 331 | R | 81.8 | Confident | 80.1 | Confident | 124 Ų | 124 | 51.4 Ų | 51.4 | 47% | 0.468 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.1 | -46.5 | 173.3 | -162.5 | 178.3 | 77.8 | -125.8 | -3 | 111.3 | L278 S327 D328 D329 F333 H334 V335 | L278-R331 HydrophobicContact CD1-CG 3.69Å; S327-R331 PolarHBondContact O-N 3.42Å; D328-R331 PolarHBondContact O-N 2.77Å; D328-R331 IonicContact OD1-CZ 3.02Å; D328-R331 VanDerWaalsContact OD1-CZ 3.31Å; D328-R331 IonicContact OD1-NH1 3.01Å; D328-R331 PolarHBondContact OD1-NH1 2.92Å; D328-R331 IonicContact OD1-NH2 3.32Å; D328-R331 PolarHBondContact OD1-NH2 3.2Å; D329-R331 VanDerWaalsContact C-N 3.34Å; D329-R331 PolarHBondContact O-N 3.19Å; R331-F333 VanDerWaalsContact C-N 3.34Å; R331-H334 PolarHBondContact O-N 2.9Å; R331-V335 WeakPolarHBondContact O-CG2 3.49Å; R331-V335 PolarHBondContact O-N 2.84Å |
| 332 | R | 81.8 | Confident | 80.1 | Confident | 154 Ų | 154 | 57.3 Ų | 57.3 | 58% | 0.581 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -63.9 | -39.5 | 177.3 | -75 | 172.6 | -176.4 | -173.3 | 3 | 111.5 | D328 D329 V335 S336 | D328-R332 WeakPolarHBondContact O-CB 3.46Å; D328-R332 VanDerWaalsContact O-CG 3.24Å; D328-R332 WeakPolarHBondContact O-CG 3.47Å; D328-R332 PolarHBondContact O-N 3.03Å; D329-R332 PolarHBondContact O-N 3.47Å; R332-V335 PolarHBondContact O-N 3.26Å; R332-S336 WeakPolarHBondContact O-CB 3.35Å; R332-S336 PolarHBondContact O-N 3.28Å; R332-S336 PolarHBondContact O-OG 3.5Å |
| 333 | F | 82.2 | Confident | 80 | Confident | 9 Ų | 9 | 57.7 Ų | 57.7 | 4% | 0.039 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.7 | -48.1 | 176.4 | -177.3 | -107.2 | 0 | 0 | 0 | 111.8 | L195 V196 M269 C272 A273 L276 D329 Q330 R331 V335 S336 G337 | L195-F333 HydrophobicContact CB-CE2 3.89Å; L195-F333 HydrophobicContact CB-CZ 3.89Å; L195-F333 HydrophobicContact CD1-CZ 4.04Å; V196-F333 HydrophobicContact CG2-CB 3.6Å; V196-F333 HydrophobicContact CG2-CD2 3.38Å; V196-F333 HydrophobicContact CG2-CE2 4.21Å; V196-F333 HydrophobicContact CG2-CG 3.64Å; M269-F333 HydrophobicContact CB-CZ 4.25Å; M269-F333 HydrophobicContact CG-CE2 4.18Å; M269-F333 HydrophobicContact CG-CZ 4.17Å; C272-F333 HydrophobicContact CB-CE1 4.21Å; C272-F333 HydrophobicContact CB-CZ 4.43Å; A273-F333 HydrophobicContact CB-CE1 4.35Å; L276-F333 HydrophobicContact CD2-CD1 4.13Å; D329-F333 WeakPolarHBondContact O-CB 3.46Å; D329-F333 PolarHBondContact O-N 2.6Å; Q330-F333 PolarHBondContact O-N 2.9Å; R331-F333 VanDerWaalsContact C-N 3.34Å; F333-V335 VanDerWaalsContact C-N 3.3Å; F333-V335 PolarHBondContact O-N 3.1Å; F333-S336 CarbonylContact O-C 3.56Å; F333-S336 PolarHBondContact O-N 2.69Å; F333-G337 PolarHBondContact O-N 3.18Å |
| 334 | H | 77 | Confident | 80.1 | Confident | 62 Ų | 62 | 58.3 Ų | 58.3 | 29% | 0.287 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.3 | -41 | 178.8 | -168.5 | 89.2 | 0 | 0 | 0 | 112 | A273 L278 Q330 R331 | A273-H334 PolarHBondContact O-CE1 3.25Å; A273-H334 PolarHBondContact O-ND1 3.39Å; L278-H334 HydrophobicContact CD1-CB 4.12Å; Q330-H334 PolarHBondContact O-N 3.28Å; Q330-H334 VanDerWaalsContact O-N 3.07Å; R331-H334 PolarHBondContact O-N 2.9Å |
| 335 | V | 74.7 | Confident | 80.2 | Confident | 103 Ų | 103 | 60.6 Ų | 60.6 | 62% | 0.624 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -73.6 | -34.6 | 176.7 | 177.9 | 0 | 0 | 0 | 0 | 112.4 | R331 R332 F333 G337 | R331-V335 WeakPolarHBondContact O-CG2 3.49Å; R331-V335 PolarHBondContact O-N 2.84Å; R332-V335 PolarHBondContact O-N 3.26Å; F333-V335 VanDerWaalsContact C-N 3.3Å; F333-V335 PolarHBondContact O-N 3.1Å; V335-G337 VanDerWaalsContact C-N 3.31Å |
| 336 | S | 71.3 | Confident | 80.5 | Confident | 65 Ų | 65 | 61.2 Ų | 61.2 | 46% | 0.455 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -84.2 | -6.5 | -177.7 | -51.5 | 0 | 0 | 0 | 0 | 113 | R332 F333 D338 F339 | R332-S336 WeakPolarHBondContact O-CB 3.35Å; R332-S336 PolarHBondContact O-N 3.28Å; R332-S336 PolarHBondContact O-OG 3.5Å; F333-S336 CarbonylContact O-C 3.56Å; F333-S336 PolarHBondContact O-N 2.69Å; S336-D338 PolarHBondContact O-N 3.28Å; S336-F339 PolarHBondContact O-N 3.25Å |
| 337 | G | 68.1 | Low | 80.9 | Confident | 9 Ų | 9 | 58.6 Ų | 58.6 | 9% | 0.093 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -35.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | F333 V335 F339 | F333-G337 PolarHBondContact O-N 3.18Å; V335-G337 VanDerWaalsContact C-N 3.31Å; G337-F339 PolarHBondContact O-N 3.27Å |
| 338 | D | 71.9 | Confident | 81.4 | Confident | 98 Ų | 98 | 59.3 Ų | 59.3 | 52% | 0.524 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | 55.4 | 176.4 | -72.5 | -23.7 | 0 | 0 | 0 | 111.8 | S336 Q340 P341 | S336-D338 PolarHBondContact O-N 3.28Å; D338-Q340 VanDerWaalsContact C-N 3.31Å; D338-Q340 PolarHBondContact O-N 3.1Å; D338-P341 HydrophobicContact CB-CG 4.45Å; D338-P341 WeakPolarHBondContact O-CD 3.5Å; D338-P341 WeakPolarHBondContact O-CG 3.37Å |
| 339 | F | 77.4 | Confident | 82 | Confident | 32 Ų | 32 | 58.8 Ų | 58.8 | 14% | 0.14 | 31% | 0.309 | C | S | . | . | trans | -74.2 | -20.5 | 176.3 | 78.8 | -85.1 | 0 | 0 | 0 | 113.1 | V257 F261 C266 M269 S336 G337 F342 C343 | V257-F339 HydrophobicContact CG1-CD2 4.45Å; V257-F339 HydrophobicContact CG1-CE2 4Å; F261-F339 HydrophobicContact CB-CE1 4.08Å; F261-F339 HydrophobicContact CB-CE2 3.93Å; F261-F339 HydrophobicContact CB-CZ 3.3Å; F261-F339 HydrophobicContact CD1-CD1 4.24Å; F261-F339 AromaticContact CD1-CE1 3.51Å; F261-F339 HydrophobicContact CD1-CE1 3.51Å; F261-F339 HydrophobicContact CD1-CE2 4.15Å; F261-F339 AromaticContact CD1-CZ 3.52Å; F261-F339 HydrophobicContact CD1-CZ 3.52Å; F261-F339 HydrophobicContact CD2-CE2 4.43Å; F261-F339 HydrophobicContact CD2-CZ 4.42Å; F261-F339 HydrophobicContact CE1-CE1 4.23Å; F261-F339 HydrophobicContact CE1-CZ 4.43Å; F261-F339 HydrophobicContact CG-CE1 4.03Å; F261-F339 AromaticContact CG-CE2 3.92Å; F261-F339 HydrophobicContact CG-CE2 3.92Å; F261-F339 AromaticContact CG-CZ 3.51Å; F261-F339 HydrophobicContact CG-CZ 3.51Å; C266-F339 VanDerWaalsContact SG-CE1 3.52Å; C266-F339 VanDerWaalsContact SG-CZ 3.55Å; M269-F339 HydrophobicContact CE-CD1 3.99Å; M269-F339 HydrophobicContact CE-CE1 4.3Å; S336-F339 PolarHBondContact O-N 3.25Å; G337-F339 PolarHBondContact O-N 3.27Å; F339-F342 WeakPolarHBondContact O-CA 3.44Å; F339-F342 VanDerWaalsContact O-CB 3.3Å; F339-F342 WeakPolarHBondContact O-CB 3.32Å; F339-F342 PolarHBondContact O-N 3Å; F339-C343 VanDerWaalsContact CD2-SG 3.56Å; F339-C343 PolarHBondContact O-N 2.71Å | ||
| 340 | Q | 79.5 | Confident | 82.6 | Confident | 20 Ų | 20 | 55 Ų | 55 | 9% | 0.093 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -53.2 | -44.7 | -179.4 | -163 | 72 | -0.7 | 0 | 0 | 114.8 | D338 F342 C343 S344 I384 K388 | D338-Q340 VanDerWaalsContact C-N 3.31Å; D338-Q340 PolarHBondContact O-N 3.1Å; Q340-F342 VanDerWaalsContact C-N 3.29Å; Q340-F342 PolarHBondContact O-N 3.16Å; Q340-C343 PolarHBondContact O-N 3.43Å; Q340-S344 PolarHBondContact O-N 3.17Å; Q340-I384 PolarHBondContact NE2-O 2.67Å; Q340-K388 HydrophobicContact CG-CB 3.81Å; Q340-K388 HydrophobicContact CG-CG 4.25Å |
| 341 | P | 81.8 | Confident | 83.2 | Confident | 56 Ų | 56 | 55.3 Ų | 55.3 | 36% | 0.364 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58.5 | -39.2 | 172.7 | 22 | -35.7 | 0 | 0 | 0 | 112.8 | D338 S344 L345 | D338-P341 HydrophobicContact CB-CG 4.45Å; D338-P341 WeakPolarHBondContact O-CD 3.5Å; D338-P341 WeakPolarHBondContact O-CG 3.37Å; P341-S344 WeakPolarHBondContact CA-OG 3.21Å; P341-S344 PolarHBondContact O-N 3.42Å; P341-S344 PolarHBondContact O-OG 3.21Å; P341-L345 WeakPolarHBondContact O-CB 3.44Å; P341-L345 PolarHBondContact O-N 3.36Å |
| 342 | F | 84.4 | Confident | 83.8 | Confident | 123 Ų | 123 | 53.6 Ų | 53.6 | 54% | 0.539 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.7 | -44.6 | 178 | 179.9 | -105.7 | 0 | 0 | 0 | 111.6 | F339 Q340 S344 L345 I346 | F339-F342 WeakPolarHBondContact O-CA 3.44Å; F339-F342 VanDerWaalsContact O-CB 3.3Å; F339-F342 WeakPolarHBondContact O-CB 3.32Å; F339-F342 PolarHBondContact O-N 3Å; Q340-F342 VanDerWaalsContact C-N 3.29Å; Q340-F342 PolarHBondContact O-N 3.16Å; F342-S344 VanDerWaalsContact C-N 3.34Å; F342-S344 PolarHBondContact O-N 3.38Å; F342-L345 WeakPolarHBondContact O-CB 3.33Å; F342-L345 PolarHBondContact O-N 3.41Å; F342-I346 HydrophobicContact CD1-CD1 3.69Å; F342-I346 HydrophobicContact CE1-CD1 3.22Å; F342-I346 HydrophobicContact CE1-CG1 4.26Å; F342-I346 HydrophobicContact CE2-CD1 4.26Å; F342-I346 HydrophobicContact CG-CD1 4.39Å; F342-I346 HydrophobicContact CZ-CD1 3.55Å; F342-I346 HydrophobicContact CZ-CG1 4.25Å; F342-I346 WeakPolarHBondContact O-CG1 3.49Å; F342-I346 PolarHBondContact O-N 2.83Å |
| 343 | C | 85.1 | Confident | 84.3 | Confident | 9 Ų | 9 | 48.3 Ų | 48.3 | 6% | 0.061 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.5 | -40.7 | 173.7 | -70 | 0 | 0 | 0 | 0 | 112.7 | V257 F339 Q340 L345 I346 A347 I384 | V257-C343 VanDerWaalsContact CG1-SG 3.52Å; F339-C343 VanDerWaalsContact CD2-SG 3.56Å; F339-C343 PolarHBondContact O-N 2.71Å; Q340-C343 PolarHBondContact O-N 3.43Å; C343-L345 VanDerWaalsContact C-N 3.31Å; C343-L345 PolarHBondContact O-N 2.91Å; C343-I346 PolarHBondContact O-N 3.42Å; C343-A347 WeakPolarHBondContact O-CB 3.47Å; C343-A347 PolarHBondContact O-N 3.21Å; C343-I384 HydrophobicContact CB-CG2 4.39Å |
| 344 | S | 86.2 | Confident | 84.9 | Confident | 18 Ų | 18 | 47.9 Ų | 47.9 | 13% | 0.126 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.6 | -36.8 | 176.2 | 71.5 | 0 | 0 | 0 | 0 | 112.4 | Q340 P341 F342 A348 | Q340-S344 PolarHBondContact O-N 3.17Å; P341-S344 WeakPolarHBondContact CA-OG 3.21Å; P341-S344 PolarHBondContact O-N 3.42Å; P341-S344 PolarHBondContact O-OG 3.21Å; F342-S344 VanDerWaalsContact C-N 3.34Å; F342-S344 PolarHBondContact O-N 3.38Å; S344-A348 VanDerWaalsContact O-CB 3.31Å; S344-A348 WeakPolarHBondContact O-CB 3.36Å; S344-A348 PolarHBondContact O-N 2.87Å |
| 345 | L | 89.9 | Confident | 85.7 | Confident | 121 Ų | 121 | 50.1 Ų | 50.1 | 63% | 0.634 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -67.5 | -45.1 | 176.6 | -169.5 | 101.9 | 0 | 0 | 0 | 111 | P341 F342 C343 A348 S349 | P341-L345 WeakPolarHBondContact O-CB 3.44Å; P341-L345 PolarHBondContact O-N 3.36Å; F342-L345 WeakPolarHBondContact O-CB 3.33Å; F342-L345 PolarHBondContact O-N 3.41Å; C343-L345 VanDerWaalsContact C-N 3.31Å; C343-L345 PolarHBondContact O-N 2.91Å; L345-A348 PolarHBondContact O-N 3.17Å; L345-S349 VanDerWaalsContact O-CB 3.29Å; L345-S349 WeakPolarHBondContact O-CB 3.04Å; L345-S349 PolarHBondContact O-N 3.23Å; L345-S349 PolarHBondContact O-OG 3.31Å |
| 346 | I | 88.8 | Confident | 86.6 | Confident | 24 Ų | 24 | 49.9 Ų | 49.9 | 12% | 0.123 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.6 | -51.9 | 175.1 | -70.7 | 170.1 | 0 | 0 | 0 | 110 | F250 F342 C343 A348 S349 L350 | F250-I346 HydrophobicContact CD1-CG2 4.42Å; F342-I346 HydrophobicContact CD1-CD1 3.69Å; F342-I346 HydrophobicContact CE1-CD1 3.22Å; F342-I346 HydrophobicContact CE1-CG1 4.26Å; F342-I346 HydrophobicContact CE2-CD1 4.26Å; F342-I346 HydrophobicContact CG-CD1 4.39Å; F342-I346 HydrophobicContact CZ-CD1 3.55Å; F342-I346 HydrophobicContact CZ-CG1 4.25Å; F342-I346 WeakPolarHBondContact O-CG1 3.49Å; F342-I346 PolarHBondContact O-N 2.83Å; C343-I346 PolarHBondContact O-N 3.42Å; I346-A348 PolarHBondContact O-N 3.39Å; I346-S349 PolarHBondContact O-N 2.85Å; I346-S349 PolarHBondContact O-OG 3.01Å; I346-L350 WeakPolarHBondContact O-CB 2.96Å; I346-L350 PolarHBondContact O-N 3.22Å |
| 347 | A | 91.5 | Very high | 87.6 | Confident | 5 Ų | 5 | 49.3 Ų | 49.3 | 4% | 0.041 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.1 | -43.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | T254 C343 L350 I351 L381 I384 | T254-A347 HydrophobicContact CG2-CB 4.3Å; C343-A347 WeakPolarHBondContact O-CB 3.47Å; C343-A347 PolarHBondContact O-N 3.21Å; A347-L350 PolarHBondContact O-N 3.37Å; A347-I351 WeakPolarHBondContact O-CG1 3.08Å; A347-I351 PolarHBondContact O-N 2.99Å; A347-I351 VanDerWaalsContact O-N 3.17Å; A347-L381 HydrophobicContact CB-CB 4.42Å; A347-L381 HydrophobicContact CB-CD1 3.82Å; A347-I384 HydrophobicContact CB-CD1 4.49Å |
| 348 | A | 92.6 | Very high | 88.7 | Confident | 39 Ų | 39 | 50.6 Ų | 50.6 | 32% | 0.322 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.3 | -45.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S344 L345 I346 L350 I351 V352 L381 | S344-A348 VanDerWaalsContact O-CB 3.31Å; S344-A348 WeakPolarHBondContact O-CB 3.36Å; S344-A348 PolarHBondContact O-N 2.87Å; L345-A348 PolarHBondContact O-N 3.17Å; I346-A348 PolarHBondContact O-N 3.39Å; A348-L350 VanDerWaalsContact C-N 3.26Å; A348-L350 PolarHBondContact O-N 3.42Å; A348-I351 PolarHBondContact O-N 2.89Å; A348-V352 WeakPolarHBondContact O-CG2 3.28Å; A348-V352 PolarHBondContact O-N 2.98Å; A348-L381 HydrophobicContact CB-CD1 4.5Å |
| 349 | S | 93.1 | Very high | 89.8 | Confident | 67 Ų | 67 | 50.6 Ų | 50.6 | 47% | 0.469 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.6 | -36.1 | 177.5 | 72.7 | 0 | 0 | 0 | 0 | 112.1 | L345 I346 V352 A353 | L345-S349 VanDerWaalsContact O-CB 3.29Å; L345-S349 WeakPolarHBondContact O-CB 3.04Å; L345-S349 PolarHBondContact O-N 3.23Å; L345-S349 PolarHBondContact O-OG 3.31Å; I346-S349 PolarHBondContact O-N 2.85Å; I346-S349 PolarHBondContact O-OG 3.01Å; S349-V352 PolarHBondContact O-N 3.26Å; S349-A353 WeakPolarHBondContact O-CB 3.41Å; S349-A353 PolarHBondContact O-N 3.44Å |
| 350 | L | 93.1 | Very high | 90.3 | Very high | 14 Ų | 14 | 56.6 Ų | 56.6 | 7% | 0.073 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.4 | -43.5 | 177.4 | -175.3 | 64.3 | 0 | 0 | 0 | 111.5 | V247 F250 T251 I346 A347 A348 A353 Q354 N377 | V247-L350 HydrophobicContact CG2-CD1 4.35Å; F250-L350 HydrophobicContact CB-CD1 3.94Å; F250-L350 HydrophobicContact CB-CD2 3.84Å; F250-L350 HydrophobicContact CB-CG 4.47Å; F250-L350 HydrophobicContact CD2-CD1 4.42Å; T251-L350 WeakPolarHBondContact OG1-CD2 3.33Å; I346-L350 WeakPolarHBondContact O-CB 2.96Å; I346-L350 PolarHBondContact O-N 3.22Å; A347-L350 PolarHBondContact O-N 3.37Å; A348-L350 VanDerWaalsContact C-N 3.26Å; A348-L350 PolarHBondContact O-N 3.42Å; L350-A353 PolarHBondContact O-N 3.06Å; L350-Q354 WeakPolarHBondContact O-CB 3.17Å; L350-Q354 VanDerWaalsContact O-CG 3.3Å; L350-Q354 WeakPolarHBondContact O-CG 3.45Å; L350-Q354 PolarHBondContact O-N 2.74Å; L350-N377 WeakPolarHBondContact CD2-ND2 3.25Å |
| 351 | I | 94.3 | Very high | 90.8 | Very high | 10 Ų | 10 | 56.6 Ų | 56.6 | 5% | 0.051 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.8 | -43.3 | 176.6 | -68.8 | 162.6 | 0 | 0 | 0 | 110.7 | A347 A348 A353 Q354 F355 M374 N377 Y378 L381 | A347-I351 WeakPolarHBondContact O-CG1 3.08Å; A347-I351 PolarHBondContact O-N 2.99Å; A347-I351 VanDerWaalsContact O-N 3.17Å; A348-I351 PolarHBondContact O-N 2.89Å; I351-A353 VanDerWaalsContact C-N 3.35Å; I351-A353 PolarHBondContact O-N 2.88Å; I351-Q354 PolarHBondContact O-N 2.85Å; I351-F355 WeakPolarHBondContact O-CB 3.32Å; I351-F355 PolarHBondContact O-N 3.09Å; I351-M374 HydrophobicContact CG2-CG 4.34Å; I351-N377 HydrophobicContact CD1-CB 4.29Å; I351-N377 HydrophobicContact CG1-CB 3.82Å; I351-Y378 HydrophobicContact CD1-CD1 3.98Å; I351-Y378 HydrophobicContact CD1-CE1 4.16Å; I351-Y378 HydrophobicContact CD1-CG 4.44Å; I351-Y378 HydrophobicContact CG2-CE1 3.8Å; I351-Y378 HydrophobicContact CG2-CE2 4.21Å; I351-Y378 WeakPolarHBondContact CG2-OH 3.3Å; I351-L381 HydrophobicContact CD1-CB 3.89Å; I351-L381 HydrophobicContact CD1-CD2 3.63Å; I351-L381 HydrophobicContact CD1-CG 4.34Å |
| 352 | V | 94.6 | Very high | 91 | Very high | 87 Ų | 87 | 61.6 Ų | 61.6 | 53% | 0.527 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.1 | -45.8 | 175.9 | 173.8 | 0 | 0 | 0 | 0 | 110.5 | A348 S349 Q354 F355 L356 | A348-V352 WeakPolarHBondContact O-CG2 3.28Å; A348-V352 PolarHBondContact O-N 2.98Å; S349-V352 PolarHBondContact O-N 3.26Å; V352-Q354 PolarHBondContact O-N 3.39Å; V352-F355 PolarHBondContact O-N 2.71Å; V352-L356 HydrophobicContact CG1-CD1 4.22Å; V352-L356 HydrophobicContact CG1-CG 4.5Å; V352-L356 WeakPolarHBondContact O-CG 3.27Å; V352-L356 PolarHBondContact O-N 2.97Å |
| 353 | A | 93 | Very high | 91.2 | Very high | 43 Ų | 43 | 58.8 Ų | 58.8 | 36% | 0.355 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.7 | -43.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | S349 L350 I351 F355 L356 M357 | S349-A353 WeakPolarHBondContact O-CB 3.41Å; S349-A353 PolarHBondContact O-N 3.44Å; L350-A353 PolarHBondContact O-N 3.06Å; I351-A353 VanDerWaalsContact C-N 3.35Å; I351-A353 PolarHBondContact O-N 2.88Å; A353-F355 VanDerWaalsContact C-N 3.34Å; A353-F355 PolarHBondContact O-N 3.19Å; A353-L356 PolarHBondContact O-N 3.4Å; A353-M357 VanDerWaalsContact O-CG 3.31Å; A353-M357 WeakPolarHBondContact O-CG 3.15Å; A353-M357 PolarHBondContact O-N 2.88Å |
| 354 | Q | 94.1 | Very high | 91.4 | Very high | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.005 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.5 | -41 | 175 | -75.9 | 177.9 | -38.4 | 0 | 0 | 112.6 | V247 L350 I351 V352 M357 L358 N377 | V247-Q354 HydrophobicContact CG1-CG 4.49Å; V247-Q354 HydrophobicContact CG2-CG 3.86Å; L350-Q354 WeakPolarHBondContact O-CB 3.17Å; L350-Q354 VanDerWaalsContact O-CG 3.3Å; L350-Q354 WeakPolarHBondContact O-CG 3.45Å; L350-Q354 PolarHBondContact O-N 2.74Å; I351-Q354 PolarHBondContact O-N 2.85Å; V352-Q354 PolarHBondContact O-N 3.39Å; Q354-M357 HydrophobicContact CB-CE 4.5Å; Q354-M357 HydrophobicContact CG-CE 4.1Å; Q354-M357 PolarHBondContact O-N 3.13Å; Q354-L358 WeakPolarHBondContact O-CB 3.48Å; Q354-L358 PolarHBondContact O-N 2.59Å; Q354-N377 PolarHBondContact NE2-ND2 2.65Å; Q354-N377 PolarHBondContact OE1-ND2 3.4Å |
| 355 | F | 94.5 | Very high | 91.6 | Very high | 108 Ų | 108 | 60.1 Ų | 60.1 | 47% | 0.474 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.4 | -43.5 | 177 | -177.3 | -98.7 | 0 | 0 | 0 | 111.5 | I351 V352 A353 M357 L358 V359 | I351-F355 WeakPolarHBondContact O-CB 3.32Å; I351-F355 PolarHBondContact O-N 3.09Å; V352-F355 PolarHBondContact O-N 2.71Å; A353-F355 VanDerWaalsContact C-N 3.34Å; A353-F355 PolarHBondContact O-N 3.19Å; F355-M357 VanDerWaalsContact C-N 3.33Å; F355-M357 PolarHBondContact O-N 3.17Å; F355-L358 WeakPolarHBondContact O-CB 3.24Å; F355-L358 PolarHBondContact O-N 2.94Å; F355-L358 VanDerWaalsContact O-N 3.15Å; F355-V359 HydrophobicContact CD1-CG2 4.41Å; F355-V359 HydrophobicContact CE1-CG2 4.02Å; F355-V359 HydrophobicContact CZ-CG2 4.22Å; F355-V359 WeakPolarHBondContact O-CG2 3.42Å; F355-V359 PolarHBondContact O-N 3.09Å |
| 356 | L | 93.7 | Very high | 91.7 | Very high | 99 Ų | 99 | 56 Ų | 56 | 52% | 0.518 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62 | -41.4 | 174.7 | -67.7 | 174.3 | 0 | 0 | 0 | 111.6 | V352 A353 L358 V359 H360 | V352-L356 HydrophobicContact CG1-CD1 4.22Å; V352-L356 HydrophobicContact CG1-CG 4.5Å; V352-L356 WeakPolarHBondContact O-CG 3.27Å; V352-L356 PolarHBondContact O-N 2.97Å; A353-L356 PolarHBondContact O-N 3.4Å; L356-L358 VanDerWaalsContact C-N 3.3Å; L356-L358 PolarHBondContact O-N 3.22Å; L356-V359 PolarHBondContact O-N 3.15Å; L356-H360 PolarHBondContact O-CD2 2.88Å; L356-H360 VanDerWaalsContact O-CD2 3.27Å; L356-H360 PolarHBondContact O-N 3.21Å |
| 357 | M | 91.2 | Very high | 91.9 | Very high | 53 Ų | 53 | 57.9 Ų | 57.9 | 26% | 0.261 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.4 | -37.3 | 174.3 | -71 | -171.4 | -64.5 | 0 | 0 | 112.2 | V247 A353 Q354 F355 H360 S361 L370 | V247-M357 HydrophobicContact CG2-CE 3.63Å; A353-M357 VanDerWaalsContact O-CG 3.31Å; A353-M357 WeakPolarHBondContact O-CG 3.15Å; A353-M357 PolarHBondContact O-N 2.88Å; Q354-M357 HydrophobicContact CB-CE 4.5Å; Q354-M357 HydrophobicContact CG-CE 4.1Å; Q354-M357 PolarHBondContact O-N 3.13Å; F355-M357 VanDerWaalsContact C-N 3.33Å; F355-M357 PolarHBondContact O-N 3.17Å; M357-H360 PolarHBondContact O-N 2.85Å; M357-S361 WeakPolarHBondContact O-CB 3Å; M357-S361 PolarHBondContact O-N 3.4Å; M357-L370 HydrophobicContact CB-CD1 3.93Å; M357-L370 HydrophobicContact CB-CD2 4.26Å; M357-L370 HydrophobicContact CE-CD2 4.01Å |
| 358 | L | 93.3 | Very high | 92 | Very high | 36 Ų | 36 | 60.1 Ų | 60.1 | 19% | 0.188 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.4 | -45.1 | 178 | -176.3 | 66.5 | 0 | 0 | 0 | 111.4 | Q354 F355 L356 H360 S361 I367 L370 V371 M374 | Q354-L358 WeakPolarHBondContact O-CB 3.48Å; Q354-L358 PolarHBondContact O-N 2.59Å; F355-L358 WeakPolarHBondContact O-CB 3.24Å; F355-L358 PolarHBondContact O-N 2.94Å; F355-L358 VanDerWaalsContact O-N 3.15Å; L356-L358 VanDerWaalsContact C-N 3.3Å; L356-L358 PolarHBondContact O-N 3.22Å; L358-H360 PolarHBondContact O-N 3.07Å; L358-S361 PolarHBondContact O-N 3.37Å; L358-S361 PolarHBondContact O-OG 2.74Å; L358-I367 HydrophobicContact CD1-CB 4.31Å; L358-I367 HydrophobicContact CD1-CG1 4.48Å; L358-I367 HydrophobicContact CD1-CG2 3.94Å; L358-L370 HydrophobicContact CB-CD1 4.35Å; L358-L370 HydrophobicContact CD1-CB 4.07Å; L358-L370 HydrophobicContact CD1-CD1 4.45Å; L358-V371 HydrophobicContact CD1-CG2 3.93Å; L358-V371 HydrophobicContact CD2-CG2 4.14Å; L358-M374 HydrophobicContact CD2-CE 4.42Å |
| 359 | V | 93.3 | Very high | 92 | Very high | 97 Ų | 97 | 58.3 Ų | 58.3 | 59% | 0.588 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -60 | -35 | 176.7 | 173.1 | 0 | 0 | 0 | 0 | 111.7 | F355 L356 | F355-V359 HydrophobicContact CD1-CG2 4.41Å; F355-V359 HydrophobicContact CE1-CG2 4.02Å; F355-V359 HydrophobicContact CZ-CG2 4.22Å; F355-V359 WeakPolarHBondContact O-CG2 3.42Å; F355-V359 PolarHBondContact O-N 3.09Å; L356-V359 PolarHBondContact O-N 3.15Å |
| 360 | H | 89.3 | Confident | 92 | Very high | 158 Ų | 158 | 55.8 Ų | 55.8 | 73% | 0.731 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -84.5 | -9.5 | 177.5 | -75.2 | -58.3 | 0 | 0 | 0 | 114.1 | L356 M357 L358 | L356-H360 PolarHBondContact O-CD2 2.88Å; L356-H360 VanDerWaalsContact O-CD2 3.27Å; L356-H360 PolarHBondContact O-N 3.21Å; M357-H360 PolarHBondContact O-N 2.85Å; L358-H360 PolarHBondContact O-N 3.07Å |
| 361 | S | 89.2 | Confident | 92.1 | Very high | 20 Ų | 20 | 58.2 Ų | 58.2 | 14% | 0.14 | 31% | 0.307 | C | S | . | . | trans | -84.4 | 122.5 | -176.5 | 70.1 | 0 | 0 | 0 | 0 | 112 | M357 L358 I367 | M357-S361 WeakPolarHBondContact O-CB 3Å; M357-S361 PolarHBondContact O-N 3.4Å; L358-S361 PolarHBondContact O-N 3.37Å; L358-S361 PolarHBondContact O-OG 2.74Å; S361-I367 VanDerWaalsContact OG-CG1 3.23Å; S361-I367 WeakPolarHBondContact OG-CG1 3.29Å | ||
| 362 | I | 86.9 | Confident | 92.1 | Very high | 161 Ų | 161 | 61 Ų | 61 | 83% | 0.826 | 32% | 0.322 | S | S | * | . | trans | -100.6 | -29.3 | 178 | -53.3 | 169.3 | 0 | 0 | 0 | 111 | ||||
| 363 | E | 87.9 | Confident | 92.1 | Very high | 65 Ų | 65 | 56.9 Ų | 56.9 | 30% | 0.304 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -81.6 | 128 | -176.2 | -54.6 | -168.7 | 128.2 | 0 | 0 | 111.4 | K49 Q365 H366 I367 | K49-E363 IonicContact NZ-OE1 3.62Å; K49-E363 PolarHBondContact NZ-OE1 3.25Å; K49-E363 IonicContact NZ-OE2 3.26Å; K49-E363 PolarHBondContact NZ-OE2 3.44Å; E363-Q365 VanDerWaalsContact CB-NE2 3.27Å; E363-Q365 PolarHBondContact O-N 2.94Å; E363-Q365 VanDerWaalsContact O-N 3.13Å; E363-Q365 PolarHBondContact OE2-NE2 3.31Å; E363-H366 PolarHBondContact O-N 2.97Å; E363-H366 IonicContact OE2-CE1 2.75Å; E363-H366 PolarHBondContact OE2-CE1 3.05Å; E363-H366 IonicContact OE2-ND1 3.98Å; E363-H366 IonicContact OE2-NE2 2.9Å; E363-H366 PolarHBondContact OE2-NE2 2.81Å; E363-I367 PolarHBondContact O-N 3.31Å; E363-I367 VanDerWaalsContact O-N 3.16Å |
| 364 | W | 90.1 | Very high | 92.1 | Very high | 52 Ų | 52 | 56 Ų | 56 | 20% | 0.197 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -51.6 | -40.2 | -175.6 | 73.9 | -76.6 | 0 | 0 | 0 | 113.6 | L45 K49 W53 A62 H366 I367 V368 | L45-W364 HydrophobicContact CD2-CH2 3.55Å; L45-W364 HydrophobicContact CD2-CZ2 4.23Å; L45-W364 HydrophobicContact CD2-CZ3 3.75Å; L45-W364 HydrophobicContact CG-CH2 4.18Å; K49-W364 HydrophobicContact CB-CZ2 4.19Å; W53-W364 HydrophobicContact CH2-CB 4.42Å; W53-W364 AromaticContact CH2-CD1 2.96Å; W53-W364 HydrophobicContact CH2-CD2 4.12Å; W53-W364 AromaticContact CH2-CE2 3.85Å; W53-W364 AromaticContact CH2-CG 3.59Å; W53-W364 HydrophobicContact CH2-CG 3.59Å; W53-W364 AromaticContact CH2-NE1 3.11Å; W53-W364 AromaticContact CZ2-CD1 3.86Å; W53-W364 HydrophobicContact CZ2-CG 4.32Å; W53-W364 AromaticContact CZ3-CD1 3.41Å; W53-W364 VanDerWaalsContact CZ3-CD1 3.41Å; W53-W364 AromaticContact CZ3-CD2 3.77Å; W53-W364 HydrophobicContact CZ3-CD2 3.77Å; W53-W364 AromaticContact CZ3-CE2 3.41Å; W53-W364 VanDerWaalsContact CZ3-CE2 3.41Å; W53-W364 AromaticContact CZ3-CG 3.74Å; W53-W364 HydrophobicContact CZ3-CG 3.74Å; W53-W364 HydrophobicContact CZ3-CZ2 4.07Å; W53-W364 AromaticContact CZ3-NE1 3.17Å; A62-W364 HydrophobicContact CB-CH2 4.11Å; W364-H366 VanDerWaalsContact C-N 3.33Å; W364-H366 PolarHBondContact O-N 3.43Å; W364-I367 WeakPolarHBondContact O-CB 3.3Å; W364-I367 PolarHBondContact O-N 3.28Å; W364-V368 HydrophobicContact CE3-CG2 4.17Å; W364-V368 WeakPolarHBondContact O-CG2 3.3Å; W364-V368 PolarHBondContact O-N 2.93Å |
| 365 | Q | 90.2 | Very high | 92.1 | Very high | 3 Ų | 3 | 62.9 Ų | 62.9 | 1% | 0.014 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -70.3 | -32.6 | -176.8 | 72 | -69.9 | -22.6 | 0 | 0 | 112.3 | L45 N46 K49 E363 S369 | L45-Q365 HydrophobicContact CD2-CB 3.32Å; L45-Q365 HydrophobicContact CD2-CG 4.47Å; N46-Q365 HydrophobicContact CB-CG 4.49Å; N46-Q365 WeakPolarHBondContact OD1-CB 3.38Å; N46-Q365 WeakPolarHBondContact OD1-CG 3.4Å; N46-Q365 PolarHBondContact OD1-O 2.71Å; K49-Q365 HydrophobicContact CB-CG 4.42Å; K49-Q365 HydrophobicContact CD-CG 3.84Å; E363-Q365 VanDerWaalsContact CB-NE2 3.27Å; E363-Q365 PolarHBondContact O-N 2.94Å; E363-Q365 VanDerWaalsContact O-N 3.13Å; E363-Q365 PolarHBondContact OE2-NE2 3.31Å; Q365-S369 WeakPolarHBondContact O-CB 3.42Å; Q365-S369 PolarHBondContact O-N 2.89Å; Q365-S369 PolarHBondContact O-OG 3.17Å |
| 366 | H | 90.6 | Very high | 91.9 | Very high | 33 Ų | 33 | 59 Ų | 59 | 15% | 0.153 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -69.1 | -41.5 | 174.4 | -64.4 | 177.3 | 0 | 0 | 0 | 110.1 | N46 Y240 E363 W364 S369 L370 | N46-H366 PolarHBondContact OD1-CD2 2.85Å; Y240-H366 HydrophobicContact CD2-CB 4.46Å; Y240-H366 AromaticContact CD2-CD2 3.39Å; Y240-H366 WeakPolarHBondContact CD2-CD2 3.46Å; Y240-H366 AromaticContact CD2-CE1 3.69Å; Y240-H366 AromaticContact CD2-CG 3.66Å; Y240-H366 AromaticContact CD2-ND1 3.81Å; Y240-H366 AromaticContact CD2-NE2 3.46Å; Y240-H366 WeakPolarHBondContact CD2-NE2 3.26Å; Y240-H366 HydrophobicContact CE2-CB 4.3Å; Y240-H366 AromaticContact CE2-CD2 3.45Å; Y240-H366 VanDerWaalsContact CE2-CD2 3.45Å; Y240-H366 WeakPolarHBondContact CE2-CD2 3.1Å; Y240-H366 AromaticContact CE2-CG 3.83Å; Y240-H366 AromaticContact CE2-NE2 3.97Å; Y240-H366 AromaticContact CG-CD2 3.96Å; Y240-H366 AromaticContact CG-CE1 3.89Å; Y240-H366 AromaticContact CG-NE2 3.57Å; E363-H366 PolarHBondContact O-N 2.97Å; E363-H366 IonicContact OE2-CE1 2.75Å; E363-H366 PolarHBondContact OE2-CE1 3.05Å; E363-H366 IonicContact OE2-ND1 3.98Å; E363-H366 IonicContact OE2-NE2 2.9Å; E363-H366 PolarHBondContact OE2-NE2 2.81Å; W364-H366 VanDerWaalsContact C-N 3.33Å; W364-H366 PolarHBondContact O-N 3.43Å; H366-S369 PolarHBondContact O-N 2.82Å; H366-L370 WeakPolarHBondContact O-CB 3.23Å; H366-L370 VanDerWaalsContact O-CG 3.3Å; H366-L370 WeakPolarHBondContact O-CG 3.23Å; H366-L370 PolarHBondContact O-N 2.86Å |
| 367 | I | 93.1 | Very high | 92 | Very high | 64 Ų | 64 | 54.6 Ų | 54.6 | 33% | 0.328 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58 | -53 | 175.4 | -63 | 170.2 | 0 | 0 | 0 | 110 | L358 S361 E363 W364 S369 L370 V371 | L358-I367 HydrophobicContact CD1-CB 4.31Å; L358-I367 HydrophobicContact CD1-CG1 4.48Å; L358-I367 HydrophobicContact CD1-CG2 3.94Å; S361-I367 VanDerWaalsContact OG-CG1 3.23Å; S361-I367 WeakPolarHBondContact OG-CG1 3.29Å; E363-I367 PolarHBondContact O-N 3.31Å; E363-I367 VanDerWaalsContact O-N 3.16Å; W364-I367 WeakPolarHBondContact O-CB 3.3Å; W364-I367 PolarHBondContact O-N 3.28Å; I367-S369 VanDerWaalsContact C-N 3.32Å; I367-S369 PolarHBondContact O-N 3.43Å; I367-L370 PolarHBondContact O-N 2.98Å; I367-V371 HydrophobicContact CG2-CG2 4.42Å; I367-V371 WeakPolarHBondContact O-CB 3.39Å; I367-V371 VanDerWaalsContact O-CG2 3.27Å; I367-V371 WeakPolarHBondContact O-CG2 3.34Å; I367-V371 PolarHBondContact O-N 3.49Å |
| 368 | V | 93.3 | Very high | 92 | Very high | 53 Ų | 53 | 57.4 Ų | 57.4 | 32% | 0.321 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58.3 | -44.5 | 179.5 | 171 | 0 | 0 | 0 | 0 | 111.3 | W364 L372 | W364-V368 HydrophobicContact CE3-CG2 4.17Å; W364-V368 WeakPolarHBondContact O-CG2 3.3Å; W364-V368 PolarHBondContact O-N 2.93Å; V368-L372 HydrophobicContact CG1-CD1 3.86Å; V368-L372 WeakPolarHBondContact O-CG 3.43Å; V368-L372 PolarHBondContact O-N 3.34Å; V368-L372 VanDerWaalsContact O-N 3.12Å |
| 369 | S | 93.5 | Very high | 92 | Very high | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.007 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.3 | -46 | -179.6 | -56.3 | 0 | 0 | 0 | 0 | 112.3 | N46 Q365 H366 I367 L373 | N46-S369 PolarHBondContact ND2-OG 3.45Å; N46-S369 PolarHBondContact OD1-OG 3Å; Q365-S369 WeakPolarHBondContact O-CB 3.42Å; Q365-S369 PolarHBondContact O-N 2.89Å; Q365-S369 PolarHBondContact O-OG 3.17Å; H366-S369 PolarHBondContact O-N 2.82Å; I367-S369 VanDerWaalsContact C-N 3.32Å; I367-S369 PolarHBondContact O-N 3.43Å; S369-L373 WeakPolarHBondContact O-CB 3.5Å; S369-L373 VanDerWaalsContact O-CG 3.24Å; S369-L373 WeakPolarHBondContact O-CG 3.33Å; S369-L373 PolarHBondContact O-N 3.28Å; S369-L373 VanDerWaalsContact O-N 3.09Å |
| 370 | L | 93.5 | Very high | 91.8 | Very high | 14 Ų | 14 | 55.5 Ų | 55.5 | 7% | 0.073 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.5 | -43.1 | 179.8 | -73.4 | 170.4 | 0 | 0 | 0 | 111.5 | M357 L358 H366 I367 L372 L373 M374 | M357-L370 HydrophobicContact CB-CD1 3.93Å; M357-L370 HydrophobicContact CB-CD2 4.26Å; M357-L370 HydrophobicContact CE-CD2 4.01Å; L358-L370 HydrophobicContact CB-CD1 4.35Å; L358-L370 HydrophobicContact CD1-CB 4.07Å; L358-L370 HydrophobicContact CD1-CD1 4.45Å; H366-L370 WeakPolarHBondContact O-CB 3.23Å; H366-L370 VanDerWaalsContact O-CG 3.3Å; H366-L370 WeakPolarHBondContact O-CG 3.23Å; H366-L370 PolarHBondContact O-N 2.86Å; I367-L370 PolarHBondContact O-N 2.98Å; L370-L372 PolarHBondContact O-N 3.1Å; L370-L373 PolarHBondContact O-N 3.28Å; L370-M374 WeakPolarHBondContact O-CB 3.32Å; L370-M374 PolarHBondContact O-N 3.44Å |
| 371 | V | 94.8 | Very high | 92 | Very high | 65 Ų | 65 | 49.9 Ų | 49.9 | 39% | 0.394 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.6 | -46.5 | 179.1 | 170.7 | 0 | 0 | 0 | 0 | 111.6 | L358 I367 M374 F375 | L358-V371 HydrophobicContact CD1-CG2 3.93Å; L358-V371 HydrophobicContact CD2-CG2 4.14Å; I367-V371 HydrophobicContact CG2-CG2 4.42Å; I367-V371 WeakPolarHBondContact O-CB 3.39Å; I367-V371 VanDerWaalsContact O-CG2 3.27Å; I367-V371 WeakPolarHBondContact O-CG2 3.34Å; I367-V371 PolarHBondContact O-N 3.49Å; V371-M374 PolarHBondContact O-N 3.15Å; V371-F375 PolarHBondContact O-N 3.39Å |
| 372 | L | 94.5 | Very high | 92.1 | Very high | 68 Ų | 68 | 55.8 Ų | 55.8 | 36% | 0.356 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.6 | -40.5 | -179.4 | -73.1 | 170.4 | 0 | 0 | 0 | 112.2 | L38 L42 V368 L370 M374 F375 A376 | L38-L372 HydrophobicContact CD1-CD1 4.42Å; L42-L372 HydrophobicContact CD1-CB 4.26Å; L42-L372 HydrophobicContact CD2-CD1 3.85Å; V368-L372 HydrophobicContact CG1-CD1 3.86Å; V368-L372 WeakPolarHBondContact O-CG 3.43Å; V368-L372 PolarHBondContact O-N 3.34Å; V368-L372 VanDerWaalsContact O-N 3.12Å; L370-L372 PolarHBondContact O-N 3.1Å; L372-M374 VanDerWaalsContact C-N 3.34Å; L372-F375 PolarHBondContact O-N 3.35Å; L372-A376 PolarHBondContact O-N 2.67Å |
| 373 | L | 94.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -69 | -34.4 | 175.6 | -67.4 | 171.1 | 0 | 0 | 0 | 112.3 | Y35 V39 L42 L244 V247 S369 L370 F375 A376 N377 | Y35-L373 HydrophobicContact CE2-CD2 3.83Å; V39-L373 HydrophobicContact CG2-CD2 3.87Å; L42-L373 HydrophobicContact CD1-CD1 4.25Å; L42-L373 HydrophobicContact CD1-CD2 4.08Å; L42-L373 HydrophobicContact CD1-CG 3.83Å; L244-L373 HydrophobicContact CD1-CD1 3.41Å; L244-L373 VanDerWaalsContact CD1-CD1 3.41Å; V247-L373 HydrophobicContact CG1-CB 4.24Å; V247-L373 HydrophobicContact CG1-CD1 3.87Å; S369-L373 WeakPolarHBondContact O-CB 3.5Å; S369-L373 VanDerWaalsContact O-CG 3.24Å; S369-L373 WeakPolarHBondContact O-CG 3.33Å; S369-L373 PolarHBondContact O-N 3.28Å; S369-L373 VanDerWaalsContact O-N 3.09Å; L370-L373 PolarHBondContact O-N 3.28Å; L373-F375 VanDerWaalsContact C-N 3.35Å; L373-A376 PolarHBondContact O-N 3.33Å; L373-N377 PolarHBondContact O-N 3.43Å; L373-N377 PolarHBondContact O-ND2 3.06Å |
| 374 | M | 93.6 | Very high | 92.2 | Very high | 25 Ų | 25 | 47.1 Ų | 47.1 | 12% | 0.123 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.8 | -39 | 176.4 | -165 | 178.9 | 58.1 | 0 | 0 | 111 | I351 L358 L370 V371 L372 A376 N377 Y378 | I351-M374 HydrophobicContact CG2-CG 4.34Å; L358-M374 HydrophobicContact CD2-CE 4.42Å; L370-M374 WeakPolarHBondContact O-CB 3.32Å; L370-M374 PolarHBondContact O-N 3.44Å; V371-M374 PolarHBondContact O-N 3.15Å; L372-M374 VanDerWaalsContact C-N 3.34Å; M374-A376 PolarHBondContact O-N 2.78Å; M374-N377 PolarHBondContact O-N 3.09Å; M374-Y378 HydrophobicContact CE-CE2 4.01Å; M374-Y378 HydrophobicContact CG-CD2 3.91Å; M374-Y378 HydrophobicContact CG-CE2 3.49Å; M374-Y378 VanDerWaalsContact CG-CE2 3.49Å; M374-Y378 WeakPolarHBondContact O-CD2 2.86Å; M374-Y378 PolarHBondContact O-N 2.89Å; M374-Y378 HydrophobicContact SD-CE2 3.87Å |
| 375 | F | 92.9 | Very high | 92.2 | Very high | 145 Ų | 145 | 49.7 Ų | 49.7 | 64% | 0.636 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -58.9 | -45.7 | 173.5 | -176 | -98.8 | 0 | 0 | 0 | 112.3 | V371 L372 L373 N377 Y378 V379 | V371-F375 PolarHBondContact O-N 3.39Å; L372-F375 PolarHBondContact O-N 3.35Å; L373-F375 VanDerWaalsContact C-N 3.35Å; F375-N377 VanDerWaalsContact C-N 3.31Å; F375-N377 PolarHBondContact O-N 2.75Å; F375-Y378 PolarHBondContact O-N 2.77Å; F375-V379 HydrophobicContact CE1-CG2 4.21Å; F375-V379 HydrophobicContact CZ-CG2 4.36Å; F375-V379 PolarHBondContact O-N 2.88Å |
| 376 | A | 92 | Very high | 92.1 | Very high | 28 Ų | 28 | 53.1 Ų | 53.1 | 23% | 0.231 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60 | -42.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | Y35 L372 L373 M374 V379 L380 | Y35-A376 HydrophobicContact CD2-CB 4.16Å; Y35-A376 HydrophobicContact CE2-CB 4.18Å; L372-A376 PolarHBondContact O-N 2.67Å; L373-A376 PolarHBondContact O-N 3.33Å; M374-A376 PolarHBondContact O-N 2.78Å; A376-V379 PolarHBondContact O-N 3.11Å; A376-L380 PolarHBondContact O-N 3.32Å; A376-L380 VanDerWaalsContact O-N 3.15Å |
| 377 | N | 93.9 | Very high | 91.9 | Very high | 5 Ų | 5 | 52.7 Ų | 52.7 | 3% | 0.027 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.9 | -33.5 | 177.4 | -75.6 | -24.8 | 0 | 0 | 0 | 113.4 | T251 L350 I351 Q354 L373 M374 F375 L380 L381 | T251-N377 WeakPolarHBondContact CB-OD1 3.2Å; T251-N377 WeakPolarHBondContact CG2-OD1 3.4Å; T251-N377 VanDerWaalsContact OG1-CG 3.27Å; T251-N377 PolarHBondContact OG1-ND2 2.8Å; T251-N377 VanDerWaalsContact OG1-ND2 3.11Å; T251-N377 PolarHBondContact OG1-OD1 2.65Å; L350-N377 WeakPolarHBondContact CD2-ND2 3.25Å; I351-N377 HydrophobicContact CD1-CB 4.29Å; I351-N377 HydrophobicContact CG1-CB 3.82Å; Q354-N377 PolarHBondContact NE2-ND2 2.65Å; Q354-N377 PolarHBondContact OE1-ND2 3.4Å; L373-N377 PolarHBondContact O-N 3.43Å; L373-N377 PolarHBondContact O-ND2 3.06Å; M374-N377 PolarHBondContact O-N 3.09Å; F375-N377 VanDerWaalsContact C-N 3.31Å; F375-N377 PolarHBondContact O-N 2.75Å; N377-L380 PolarHBondContact O-N 3.28Å; N377-L381 WeakPolarHBondContact O-CB 3.49Å; N377-L381 PolarHBondContact O-N 2.87Å |
| 378 | Y | 93.3 | Very high | 91.6 | Very high | 113 Ų | 113 | 53.6 Ų | 53.6 | 44% | 0.443 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.1 | -44.6 | 174.4 | -85.2 | -61.9 | 0 | 0 | 0 | 112.3 | I351 M374 F375 L380 L381 F382 | I351-Y378 HydrophobicContact CD1-CD1 3.98Å; I351-Y378 HydrophobicContact CD1-CE1 4.16Å; I351-Y378 HydrophobicContact CD1-CG 4.44Å; I351-Y378 HydrophobicContact CG2-CE1 3.8Å; I351-Y378 HydrophobicContact CG2-CE2 4.21Å; I351-Y378 WeakPolarHBondContact CG2-OH 3.3Å; M374-Y378 HydrophobicContact CE-CE2 4.01Å; M374-Y378 HydrophobicContact CG-CD2 3.91Å; M374-Y378 HydrophobicContact CG-CE2 3.49Å; M374-Y378 VanDerWaalsContact CG-CE2 3.49Å; M374-Y378 WeakPolarHBondContact O-CD2 2.86Å; M374-Y378 PolarHBondContact O-N 2.89Å; M374-Y378 HydrophobicContact SD-CE2 3.87Å; F375-Y378 PolarHBondContact O-N 2.77Å; Y378-L380 VanDerWaalsContact C-N 3.27Å; Y378-L380 PolarHBondContact O-N 3.37Å; Y378-L381 PolarHBondContact O-N 3.45Å; Y378-F382 WeakPolarHBondContact O-CB 3.37Å; Y378-F382 PolarHBondContact O-N 3.47Å |
| 379 | V | 91.6 | Very high | 91.4 | Very high | 83 Ų | 83 | 54.6 Ų | 54.6 | 50% | 0.503 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.2 | -41 | 176.4 | 175.5 | 0 | 0 | 0 | 0 | 110.5 | F375 A376 F382 K383 | F375-V379 HydrophobicContact CE1-CG2 4.21Å; F375-V379 HydrophobicContact CZ-CG2 4.36Å; F375-V379 PolarHBondContact O-N 2.88Å; A376-V379 PolarHBondContact O-N 3.11Å; V379-F382 PolarHBondContact O-N 3.38Å; V379-K383 PolarHBondContact O-N 3.36Å; V379-K383 VanDerWaalsContact O-N 3.08Å |
| 380 | L | 90.8 | Very high | 91 | Very high | 10 Ų | 10 | 57.2 Ų | 57.2 | 5% | 0.052 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.4 | -45 | 176.7 | -178.6 | 57.3 | 0 | 0 | 0 | 112.5 | T254 L255 A258 A376 N377 Y378 F382 K383 I384 | T254-L380 HydrophobicContact CG2-CD1 4.46Å; T254-L380 HydrophobicContact CG2-CD2 3.61Å; T254-L380 HydrophobicContact CG2-CG 4.01Å; L255-L380 HydrophobicContact CB-CD2 4.24Å; L255-L380 HydrophobicContact CD1-CD1 3.94Å; A258-L380 HydrophobicContact CB-CD1 3.83Å; A376-L380 PolarHBondContact O-N 3.32Å; A376-L380 VanDerWaalsContact O-N 3.15Å; N377-L380 PolarHBondContact O-N 3.28Å; Y378-L380 VanDerWaalsContact C-N 3.27Å; Y378-L380 PolarHBondContact O-N 3.37Å; L380-F382 VanDerWaalsContact C-N 3.34Å; L380-F382 PolarHBondContact O-N 3.27Å; L380-K383 WeakPolarHBondContact O-CB 3.38Å; L380-K383 PolarHBondContact O-N 2.96Å; L380-I384 HydrophobicContact CD1-CD1 4.11Å; L380-I384 HydrophobicContact CD1-CG1 4.44Å; L380-I384 HydrophobicContact CG-CD1 4.13Å; L380-I384 WeakPolarHBondContact O-CG1 3.45Å; L380-I384 PolarHBondContact O-N 3.44Å |
| 381 | L | 92.6 | Very high | 90.6 | Very high | 40 Ų | 40 | 57.1 Ų | 57.1 | 21% | 0.209 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.7 | -44.8 | 176.2 | 178 | 66.7 | 0 | 0 | 0 | 110.9 | A347 A348 I351 N377 Y378 K383 I384 F385 | A347-L381 HydrophobicContact CB-CB 4.42Å; A347-L381 HydrophobicContact CB-CD1 3.82Å; A348-L381 HydrophobicContact CB-CD1 4.5Å; I351-L381 HydrophobicContact CD1-CB 3.89Å; I351-L381 HydrophobicContact CD1-CD2 3.63Å; I351-L381 HydrophobicContact CD1-CG 4.34Å; N377-L381 WeakPolarHBondContact O-CB 3.49Å; N377-L381 PolarHBondContact O-N 2.87Å; Y378-L381 PolarHBondContact O-N 3.45Å; L381-K383 VanDerWaalsContact C-N 3.3Å; L381-K383 PolarHBondContact O-N 3.1Å; L381-I384 PolarHBondContact O-N 2.84Å; L381-F385 WeakPolarHBondContact O-CB 3.47Å; L381-F385 PolarHBondContact O-N 2.91Å |
| 382 | F | 91.1 | Very high | 90.1 | Very high | 144 Ų | 144 | 56 Ų | 56 | 63% | 0.632 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -57.3 | -44.6 | 176.9 | 176 | -101.3 | 0 | 0 | 0 | 111.4 | Y378 V379 L380 K386 | Y378-F382 WeakPolarHBondContact O-CB 3.37Å; Y378-F382 PolarHBondContact O-N 3.47Å; V379-F382 PolarHBondContact O-N 3.38Å; L380-F382 VanDerWaalsContact C-N 3.34Å; L380-F382 PolarHBondContact O-N 3.27Å; F382-K386 VanDerWaalsContact O-CB 3.25Å; F382-K386 WeakPolarHBondContact O-CB 3.48Å; F382-K386 PolarHBondContact O-N 2.66Å |
| 383 | K | 88.9 | Confident | 89.7 | Confident | 41 Ų | 41 | 62.1 Ų | 62.1 | 18% | 0.178 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59 | -54.4 | 175.9 | -176.2 | -173.4 | 168.6 | -163.4 | 0 | 111.6 | A258 V379 L380 L381 F385 K386 D387 | A258-K383 PolarHBondContact O-NZ 3.21Å; V379-K383 PolarHBondContact O-N 3.36Å; V379-K383 VanDerWaalsContact O-N 3.08Å; L380-K383 WeakPolarHBondContact O-CB 3.38Å; L380-K383 PolarHBondContact O-N 2.96Å; L381-K383 VanDerWaalsContact C-N 3.3Å; L381-K383 PolarHBondContact O-N 3.1Å; K383-F385 VanDerWaalsContact C-N 3.3Å; K383-F385 PolarHBondContact O-N 3.12Å; K383-K386 PolarHBondContact O-N 3.09Å; K383-D387 VanDerWaalsContact O-CG 3.26Å; K383-D387 PolarHBondContact O-N 2.92Å |
| 384 | I | 88.3 | Confident | 89.2 | Confident | 3 Ų | 3 | 63.9 Ų | 63.9 | 2% | 0.015 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.7 | -41.5 | -178 | -68 | 171.3 | 0 | 0 | 0 | 111.3 | T254 A258 Q340 C343 A347 L380 L381 D387 K388 | T254-I384 HydrophobicContact CG2-CD1 3.41Å; T254-I384 VanDerWaalsContact CG2-CD1 3.41Å; A258-I384 HydrophobicContact CB-CD1 4.32Å; A258-I384 HydrophobicContact CB-CG1 4.1Å; Q340-I384 PolarHBondContact NE2-O 2.67Å; C343-I384 HydrophobicContact CB-CG2 4.39Å; A347-I384 HydrophobicContact CB-CD1 4.49Å; L380-I384 HydrophobicContact CD1-CD1 4.11Å; L380-I384 HydrophobicContact CD1-CG1 4.44Å; L380-I384 HydrophobicContact CG-CD1 4.13Å; L380-I384 WeakPolarHBondContact O-CG1 3.45Å; L380-I384 PolarHBondContact O-N 3.44Å; L381-I384 PolarHBondContact O-N 2.84Å; I384-D387 PolarHBondContact O-N 3.45Å; I384-K388 WeakPolarHBondContact O-CB 3.46Å; I384-K388 PolarHBondContact O-N 3.48Å |
| 385 | F | 89.2 | Confident | 88.6 | Confident | 105 Ų | 105 | 63.5 Ų | 63.5 | 46% | 0.461 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -67.2 | -44.1 | 179.8 | -176.6 | -105.1 | 0 | 0 | 0 | 112 | L381 K383 D387 K388 I389 | L381-F385 WeakPolarHBondContact O-CB 3.47Å; L381-F385 PolarHBondContact O-N 2.91Å; K383-F385 VanDerWaalsContact C-N 3.3Å; K383-F385 PolarHBondContact O-N 3.12Å; F385-D387 VanDerWaalsContact C-N 3.34Å; F385-D387 PolarHBondContact O-N 2.84Å; F385-K388 WeakPolarHBondContact O-CB 3.3Å; F385-K388 PolarHBondContact O-N 3.46Å; F385-I389 HydrophobicContact CD1-CD1 3.74Å; F385-I389 HydrophobicContact CE1-CD1 3.24Å; F385-I389 HydrophobicContact CE1-CG1 4.25Å; F385-I389 HydrophobicContact CE2-CD1 4.4Å; F385-I389 HydrophobicContact CZ-CD1 3.62Å; F385-I389 HydrophobicContact CZ-CG1 4.3Å; F385-I389 WeakPolarHBondContact O-CG1 3.33Å; F385-I389 PolarHBondContact O-N 3.39Å |
| 386 | K | 89.6 | Confident | 87.9 | Confident | 75 Ų | 75 | 59.3 Ų | 59.3 | 33% | 0.326 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -57.9 | -48.1 | 173.9 | -175 | -157.8 | 64.7 | 156.2 | 0 | 110.7 | F382 K383 K388 I389 I390 | F382-K386 VanDerWaalsContact O-CB 3.25Å; F382-K386 WeakPolarHBondContact O-CB 3.48Å; F382-K386 PolarHBondContact O-N 2.66Å; K383-K386 PolarHBondContact O-N 3.09Å; K386-K388 VanDerWaalsContact C-N 3.31Å; K386-K388 PolarHBondContact O-N 3.33Å; K386-I389 PolarHBondContact O-N 3.37Å; K386-I390 HydrophobicContact CD-CD1 4.31Å; K386-I390 HydrophobicContact CG-CD1 3.99Å; K386-I390 WeakPolarHBondContact O-CG1 3.4Å; K386-I390 PolarHBondContact O-N 2.72Å |
| 387 | D | 86.3 | Confident | 87.1 | Confident | 24 Ų | 24 | 59.5 Ų | 59.5 | 13% | 0.128 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.9 | -37.7 | -179.4 | -64.7 | -14 | 0 | 0 | 0 | 111.3 | I263 K383 I384 F385 I390 L391 | I263-D387 HydrophobicContact CD1-CB 4.22Å; K383-D387 VanDerWaalsContact O-CG 3.26Å; K383-D387 PolarHBondContact O-N 2.92Å; I384-D387 PolarHBondContact O-N 3.45Å; F385-D387 VanDerWaalsContact C-N 3.34Å; F385-D387 PolarHBondContact O-N 2.84Å; D387-I390 PolarHBondContact O-N 3.11Å; D387-L391 WeakPolarHBondContact O-CB 3.48Å; D387-L391 PolarHBondContact O-N 2.84Å |
| 388 | K | 86.5 | Confident | 86.1 | Confident | 84 Ų | 84 | 59.6 Ų | 59.6 | 37% | 0.365 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.6 | -45.3 | 172.7 | -177.5 | -173.4 | 175.9 | -178.1 | 0 | 112.5 | Q340 I384 F385 K386 L391 G392 | Q340-K388 HydrophobicContact CG-CB 3.81Å; Q340-K388 HydrophobicContact CG-CG 4.25Å; I384-K388 WeakPolarHBondContact O-CB 3.46Å; I384-K388 PolarHBondContact O-N 3.48Å; F385-K388 WeakPolarHBondContact O-CB 3.3Å; F385-K388 PolarHBondContact O-N 3.46Å; K386-K388 VanDerWaalsContact C-N 3.31Å; K386-K388 PolarHBondContact O-N 3.33Å; K388-L391 PolarHBondContact O-N 3.05Å; K388-G392 PolarHBondContact O-N 2.97Å |
| 389 | I | 87.8 | Confident | 85.2 | Confident | 74 Ų | 74 | 57.7 Ų | 57.7 | 38% | 0.379 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.7 | -45.3 | 179.6 | -71.3 | 170.3 | 0 | 0 | 0 | 110.5 | F385 K386 G392 R393 | F385-I389 HydrophobicContact CD1-CD1 3.74Å; F385-I389 HydrophobicContact CE1-CD1 3.24Å; F385-I389 HydrophobicContact CE1-CG1 4.25Å; F385-I389 HydrophobicContact CE2-CD1 4.4Å; F385-I389 HydrophobicContact CZ-CD1 3.62Å; F385-I389 HydrophobicContact CZ-CG1 4.3Å; F385-I389 WeakPolarHBondContact O-CG1 3.33Å; F385-I389 PolarHBondContact O-N 3.39Å; K386-I389 PolarHBondContact O-N 3.37Å; I389-G392 PolarHBondContact O-N 3.38Å; I389-R393 WeakPolarHBondContact O-CG 3.16Å; I389-R393 PolarHBondContact O-N 3.44Å |
| 390 | I | 87.1 | Confident | 84.2 | Confident | 55 Ų | 55 | 61.8 Ų | 61.8 | 28% | 0.282 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.1 | -50.2 | 179.7 | -66.1 | 166.1 | 0 | 0 | 0 | 109.5 | I19 I263 K386 D387 G392 R393 I394 | I19-I390 HydrophobicContact CD1-CG2 4.19Å; I263-I390 HydrophobicContact CD1-CB 3.8Å; I263-I390 HydrophobicContact CD1-CG2 3.6Å; K386-I390 HydrophobicContact CD-CD1 4.31Å; K386-I390 HydrophobicContact CG-CD1 3.99Å; K386-I390 WeakPolarHBondContact O-CG1 3.4Å; K386-I390 PolarHBondContact O-N 2.72Å; D387-I390 PolarHBondContact O-N 3.11Å; I390-G392 PolarHBondContact O-N 2.62Å; I390-R393 PolarHBondContact O-N 3.45Å; I390-I394 HydrophobicContact CG2-CD1 3.97Å; I390-I394 WeakPolarHBondContact O-CG1 3.46Å; I390-I394 PolarHBondContact O-N 3.2Å; I390-I394 VanDerWaalsContact O-N 3.12Å |
| 391 | L | 84.4 | Confident | 83.1 | Confident | 13 Ų | 13 | 65.3 Ų | 65.3 | 7% | 0.068 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.6 | -43.7 | -179.9 | -163.8 | 73.5 | 0 | 0 | 0 | 112 | I263 C266 D267 D387 K388 R393 I394 H395 | I263-L391 HydrophobicContact CG1-CD1 4.17Å; C266-L391 HydrophobicContact CB-CD1 4.31Å; C266-L391 HydrophobicContact CB-CD2 3.79Å; D267-L391 HydrophobicContact CB-CD1 4.04Å; D387-L391 WeakPolarHBondContact O-CB 3.48Å; D387-L391 PolarHBondContact O-N 2.84Å; K388-L391 PolarHBondContact O-N 3.05Å; L391-R393 VanDerWaalsContact C-N 3.29Å; L391-R393 PolarHBondContact O-N 3.16Å; L391-I394 PolarHBondContact O-N 3.19Å; L391-I394 VanDerWaalsContact O-N 3.13Å; L391-H395 WeakPolarHBondContact CD1-NE2 3.42Å; L391-H395 WeakPolarHBondContact CG-CE1 3.31Å; L391-H395 WeakPolarHBondContact CG-NE2 3.42Å; L391-H395 PolarHBondContact O-N 2.83Å |
| 392 | G | 84.6 | Confident | 81.9 | Confident | 40 Ų | 40 | 64.2 Ų | 64.2 | 41% | 0.412 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.6 | -35.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | K388 I389 I390 C396 | K388-G392 PolarHBondContact O-N 2.97Å; I389-G392 PolarHBondContact O-N 3.38Å; I390-G392 PolarHBondContact O-N 2.62Å; G392-C396 WeakPolarHBondContact O-CB 3.39Å; G392-C396 PolarHBondContact O-N 2.74Å |
| 393 | R | 85.7 | Confident | 80.7 | Confident | 198 Ų | 198 | 63.8 Ų | 63.8 | 75% | 0.747 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -68.1 | -41.3 | 174.1 | -75.1 | -173.1 | 176.9 | -170.5 | 0.4 | 112.2 | I389 I390 L391 G397 | I389-R393 WeakPolarHBondContact O-CG 3.16Å; I389-R393 PolarHBondContact O-N 3.44Å; I390-R393 PolarHBondContact O-N 3.45Å; L391-R393 VanDerWaalsContact C-N 3.29Å; L391-R393 PolarHBondContact O-N 3.16Å; R393-G397 PolarHBondContact O-N 3.04Å; R393-G397 VanDerWaalsContact O-N 3.12Å |
| 394 | I | 82.4 | Confident | 79.5 | Confident | 36 Ų | 36 | 68.4 Ų | 68.4 | 19% | 0.185 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.5 | -48.6 | 178.8 | -64.5 | 168.7 | 0 | 0 | 0 | 110.5 | F16 I390 L391 C396 G397 S398 | F16-I394 HydrophobicContact CD2-CD1 4.38Å; F16-I394 HydrophobicContact CE2-CD1 3.63Å; F16-I394 HydrophobicContact CZ-CD1 4.16Å; I390-I394 HydrophobicContact CG2-CD1 3.97Å; I390-I394 WeakPolarHBondContact O-CG1 3.46Å; I390-I394 PolarHBondContact O-N 3.2Å; I390-I394 VanDerWaalsContact O-N 3.12Å; L391-I394 PolarHBondContact O-N 3.19Å; L391-I394 VanDerWaalsContact O-N 3.13Å; I394-C396 PolarHBondContact O-N 3.2Å; I394-G397 PolarHBondContact O-N 2.91Å; I394-S398 PolarHBondContact O-N 3.41Å |
| 395 | H | 82 | Confident | 78.2 | Confident | 18 Ų | 18 | 73.7 Ų | 73.7 | 8% | 0.083 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.1 | -41.1 | -179.5 | -64 | 178.5 | 0 | 0 | 0 | 112.2 | H270 L391 G397 S398 N399 | H270-H395 VanDerWaalsContact CB-CE1 3.42Å; H270-H395 WeakPolarHBondContact CB-CE1 3.29Å; H270-H395 WeakPolarHBondContact CB-NE2 3.47Å; H270-H395 AromaticContact CD2-CD2 3.34Å; H270-H395 PolarHBondContact CD2-CD2 3.48Å; H270-H395 AromaticContact CD2-CE1 3.51Å; H270-H395 AromaticContact CD2-CG 3.61Å; H270-H395 AromaticContact CD2-ND1 3.71Å; H270-H395 AromaticContact CD2-NE2 3.31Å; H270-H395 PolarHBondContact CD2-NE2 3.02Å; H270-H395 VanDerWaalsContact CD2-NE2 3.31Å; H270-H395 AromaticContact CE1-CG 3.99Å; H270-H395 AromaticContact CE1-ND1 3.74Å; H270-H395 AromaticContact CG-CD2 3.86Å; H270-H395 AromaticContact CG-CE1 3.19Å; H270-H395 AromaticContact CG-ND1 3.65Å; H270-H395 AromaticContact CG-NE2 3.36Å; H270-H395 AromaticContact ND1-CE1 3.58Å; H270-H395 AromaticContact ND1-ND1 3.66Å; H270-H395 AromaticContact NE2-CD2 3.78Å; H270-H395 AromaticContact NE2-CG 3.58Å; H270-H395 AromaticContact NE2-ND1 3.77Å; L391-H395 WeakPolarHBondContact CD1-NE2 3.42Å; L391-H395 WeakPolarHBondContact CG-CE1 3.31Å; L391-H395 WeakPolarHBondContact CG-NE2 3.42Å; L391-H395 PolarHBondContact O-N 2.83Å; H395-G397 VanDerWaalsContact C-N 3.27Å; H395-G397 PolarHBondContact O-N 3.3Å; H395-S398 PolarHBondContact O-N 2.93Å; H395-N399 PolarHBondContact O-N 2.84Å |
| 396 | C | 78.8 | Confident | 76.6 | Confident | 56 Ų | 56 | 72.7 Ų | 72.7 | 38% | 0.378 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.3 | -38.3 | 175.1 | -171.8 | 0 | 0 | 0 | 0 | 111.6 | G392 I394 R400 | G392-C396 WeakPolarHBondContact O-CB 3.39Å; G392-C396 PolarHBondContact O-N 2.74Å; I394-C396 PolarHBondContact O-N 3.2Å; C396-R400 WeakPolarHBondContact O-CG 3.44Å; C396-R400 PolarHBondContact O-N 2.91Å; C396-R400 PolarHBondContact SG-NH2 3.44Å; C396-R400 VanDerWaalsContact SG-NH2 3.35Å |
| 397 | G | 74.6 | Confident | 74.5 | Confident | 32 Ų | 32 | 80.4 Ų | 80.4 | 33% | 0.33 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.1 | -48.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | R393 I394 H395 N399 R400 L401 | R393-G397 PolarHBondContact O-N 3.04Å; R393-G397 VanDerWaalsContact O-N 3.12Å; I394-G397 PolarHBondContact O-N 2.91Å; H395-G397 VanDerWaalsContact C-N 3.27Å; H395-G397 PolarHBondContact O-N 3.3Å; G397-N399 PolarHBondContact O-N 3.41Å; G397-R400 PolarHBondContact O-N 2.94Å; G397-L401 PolarHBondContact O-N 3.3Å |
| 398 | S | 73.5 | Confident | 73.9 | Confident | 7 Ų | 7 | 83.3 Ų | 83.3 | 5% | 0.049 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -59.9 | -44.8 | 178.9 | -171 | 0 | 0 | 0 | 0 | 112.1 | H13 I394 H395 R400 L401 L402 | H13-S398 PolarHBondContact ND1-OG 3.49Å; I394-S398 PolarHBondContact O-N 3.41Å; H395-S398 PolarHBondContact O-N 2.93Å; S398-R400 VanDerWaalsContact C-N 3.32Å; S398-R400 PolarHBondContact O-N 3.31Å; S398-L401 PolarHBondContact O-N 3.31Å; S398-L401 VanDerWaalsContact O-N 3.16Å; S398-L402 WeakPolarHBondContact O-CG 3.35Å; S398-L402 PolarHBondContact O-N 3.1Å |
| 399 | N | 73.6 | Confident | 73.2 | Confident | 73 Ų | 73 | 83.2 Ų | 83.2 | 39% | 0.39 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.7 | -34.7 | 179.7 | -73.2 | -11.4 | 0 | 0 | 0 | 112.7 | H395 G397 L402 M403 | H395-N399 PolarHBondContact O-N 2.84Å; G397-N399 PolarHBondContact O-N 3.41Å; N399-L402 PolarHBondContact O-N 2.95Å; N399-M403 WeakPolarHBondContact O-CB 3.43Å; N399-M403 WeakPolarHBondContact O-CG 3.22Å; N399-M403 PolarHBondContact O-N 3.31Å |
| 400 | R | 70.7 | Confident | 72.4 | Confident | 170 Ų | 170 | 83.7 Ų | 83.7 | 64% | 0.642 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -65 | -39.7 | 173.8 | -71.5 | 178.3 | -150.8 | -153.1 | 4.7 | 112.1 | C396 G397 S398 M403 Q404 | C396-R400 WeakPolarHBondContact O-CG 3.44Å; C396-R400 PolarHBondContact O-N 2.91Å; C396-R400 PolarHBondContact SG-NH2 3.44Å; C396-R400 VanDerWaalsContact SG-NH2 3.35Å; G397-R400 PolarHBondContact O-N 2.94Å; S398-R400 VanDerWaalsContact C-N 3.32Å; S398-R400 PolarHBondContact O-N 3.31Å; R400-M403 PolarHBondContact O-N 3.23Å; R400-Q404 PolarHBondContact O-N 3.05Å; R400-Q404 VanDerWaalsContact O-N 3.1Å |
| 401 | L | 67.9 | Low | 71.5 | Confident | 83 Ų | 83 | 85.4 Ų | 85.4 | 44% | 0.435 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -66.7 | -39.7 | 176.7 | -67.1 | 172.2 | 0 | 0 | 0 | 111.7 | P14 G397 S398 Q404 K405 | P14-L401 HydrophobicContact CB-CD1 4.47Å; P14-L401 HydrophobicContact CG-CD1 4.2Å; G397-L401 PolarHBondContact O-N 3.3Å; S398-L401 PolarHBondContact O-N 3.31Å; S398-L401 VanDerWaalsContact O-N 3.16Å; L401-Q404 PolarHBondContact O-N 3.33Å; L401-K405 PolarHBondContact O-N 3.37Å |
| 402 | L | 66.7 | Low | 70.7 | Confident | 17 Ų | 17 | 89.9 Ų | 89.9 | 9% | 0.089 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -64.3 | -42.3 | 175.3 | -67.2 | 173.7 | 0 | 0 | 0 | 111.7 | V11 V274 S398 N399 Q404 K405 T406 | V11-L402 HydrophobicContact CB-CD2 4.32Å; V11-L402 HydrophobicContact CG1-CD1 4.29Å; V11-L402 HydrophobicContact CG1-CD2 3.81Å; V11-L402 HydrophobicContact CG2-CD2 4.4Å; V274-L402 HydrophobicContact CG1-CD1 4.28Å; S398-L402 WeakPolarHBondContact O-CG 3.35Å; S398-L402 PolarHBondContact O-N 3.1Å; N399-L402 PolarHBondContact O-N 2.95Å; L402-Q404 VanDerWaalsContact C-N 3.27Å; L402-Q404 PolarHBondContact O-N 2.87Å; L402-K405 PolarHBondContact O-N 3.19Å; L402-T406 PolarHBondContact O-N 2.83Å; L402-T406 PolarHBondContact O-OG1 2.89Å |
| 403 | M | 66 | Low | 69.8 | Low | 135 Ų | 135 | 93.3 Ų | 93.3 | 67% | 0.665 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -64.8 | -26.9 | 175.9 | -71.6 | -95.9 | -172.3 | 0 | 0 | 113.8 | N399 R400 T406 | N399-M403 WeakPolarHBondContact O-CB 3.43Å; N399-M403 WeakPolarHBondContact O-CG 3.22Å; N399-M403 PolarHBondContact O-N 3.31Å; R400-M403 PolarHBondContact O-N 3.23Å; M403-T406 WeakPolarHBondContact CA-OG1 3.42Å; M403-T406 PolarHBondContact O-OG1 2.92Å; M403-T406 VanDerWaalsContact O-OG1 3.1Å |
| 404 | Q | 64.7 | Low | 68.7 | Low | 139 Ų | 139 | 85.8 Ų | 85.8 | 65% | 0.65 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -78.1 | -28.2 | 175.2 | -81.5 | -178.5 | -27.2 | 0 | 0 | 112.8 | R400 L401 L402 | R400-Q404 PolarHBondContact O-N 3.05Å; R400-Q404 VanDerWaalsContact O-N 3.1Å; L401-Q404 PolarHBondContact O-N 3.33Å; L402-Q404 VanDerWaalsContact C-N 3.27Å; L402-Q404 PolarHBondContact O-N 2.87Å |
| 405 | K | 60.6 | Low | 67.6 | Low | 114 Ų | 114 | 89.6 Ų | 89.6 | 50% | 0.496 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -82.5 | -15.5 | 176.7 | -75.2 | -172.8 | 175.9 | -177.2 | 0 | 113.5 | Q12 L401 L402 | Q12-K405 VanDerWaalsContact OE1-NZ 3.09Å; L401-K405 PolarHBondContact O-N 3.37Å; L402-K405 PolarHBondContact O-N 3.19Å |
| 406 | T | 55.5 | Low | 66.4 | Low | 83 Ų | 83 | 95.6 Ų | 95.6 | 51% | 0.509 | 47% | 0.472 | S | S | . | . | trans | -90.6 | -5.6 | 176.8 | 46.8 | 0 | 0 | 0 | 0 | 113.9 | V9 L402 M403 | V9-T406 HydrophobicContact CG1-CG2 4.49Å; V9-T406 HydrophobicContact CG2-CG2 3.79Å; L402-T406 PolarHBondContact O-N 2.83Å; L402-T406 PolarHBondContact O-OG1 2.89Å; M403-T406 WeakPolarHBondContact CA-OG1 3.42Å; M403-T406 PolarHBondContact O-OG1 2.92Å; M403-T406 VanDerWaalsContact O-OG1 3.1Å | ||
| 407 | K | 44.5 | Very low | 65.3 | Low | 238 Ų | 238 | 99.2 Ų | 99.2 | 100% | 1.035 | 48% | 0.481 | S | S | * | . | trans | -103.8 | 0 | 169.8 | -74.3 | -175.2 | 177.1 | -176.5 | 0 | 109.7 |
Retrieved 407 of 407 residues in 303.7 ms
(Link to these results)