| 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 | 47.8 | Very low | 84.7 | Confident | 227 Ų | 227 | 77.6 Ų | 77.6 | 100% | 1.118 | 39% | 0.391 | S | S | * | . | 0 | 113.5 | 0 | -160.5 | 168.6 | 174.6 | 0 | 0 | 107.1 | S3 | M1-S3 PolarHBondContact O-N 3.4Š| |||
| 2 | H | 64.6 | Low | 85.5 | Confident | 70 Ų | 70 | 76 Ų | 76 | 32% | 0.324 | 38% | 0.384 | S | S | . | . | trans | -62.3 | 125.8 | 178.6 | -81.3 | -100.8 | 0 | 0 | 0 | 109.2 | R6 R7 A94 | H2-R6 PolarHBondContact CE1-NE 2.92Å; H2-R6 VanDerWaalsContact CE1-NE 3.29Å; H2-R6 PolarHBondContact CE1-NH2 3.48Å; H2-R6 VanDerWaalsContact ND1-CD 3.26Å; H2-R6 WeakPolarHBondContact ND1-CD 3.2Å; H2-R6 WeakPolarHBondContact ND1-CG 3.36Å; H2-R6 PolarHBondContact ND1-NE 2.95Å; H2-R6 VanDerWaalsContact ND1-NE 3.17Å; H2-R7 HydrophobicContact CB-CG 4.04Å; H2-R7 PolarHBondContact O-NE 3.42Å; H2-A94 PolarHBondContact CE1-O 3.4Å; H2-A94 VanDerWaalsContact CE1-O 3.23Å | ||
| 3 | S | 82.1 | Confident | 86.4 | Confident | 31 Ų | 31 | 70.2 Ų | 70.2 | 22% | 0.217 | 35% | 0.354 | C | S | . | . | trans | -55.3 | 151.9 | 169.9 | 59.2 | 0 | 0 | 0 | 0 | 110.4 | M1 V5 R6 R7 E272 | M1-S3 PolarHBondContact O-N 3.4Å; S3-V5 PolarHBondContact O-N 3.42Å; S3-R6 PolarHBondContact O-N 2.94Å; S3-R6 VanDerWaalsContact O-N 3.14Å; S3-R6 WeakPolarHBondContact OG-CB 3.33Å; S3-R6 PolarHBondContact OG-N 2.97Å; S3-R7 PolarHBondContact O-N 3.4Å; S3-E272 VanDerWaalsContact CB-OE1 3.3Å; S3-E272 WeakPolarHBondContact CB-OE1 3.43Å; S3-E272 WeakPolarHBondContact CB-OE2 3.49Å; S3-E272 PolarHBondContact OG-OE1 2.86Å; S3-E272 PolarHBondContact OG-OE2 3.35Å | ||
| 4 | T | 89.5 | Confident | 87.1 | Confident | 107 Ų | 107 | 70.1 Ų | 70.1 | 66% | 0.656 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -55.1 | -39.2 | 177.5 | -53.1 | 0 | 0 | 0 | 0 | 111 | R6 R7 I8 | T4-R6 PolarHBondContact O-N 3.34Å; T4-R7 PolarHBondContact O-N 3.01Å; T4-I8 HydrophobicContact CG2-CD1 4.04Å; T4-I8 WeakPolarHBondContact O-CG1 3.31Å; T4-I8 PolarHBondContact O-N 3.28Å |
| 5 | V | 90.4 | Very high | 87.6 | Confident | 33 Ų | 33 | 71.5 Ų | 71.5 | 20% | 0.2 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60 | -46.2 | 178.1 | -174.1 | 0 | 0 | 0 | 0 | 111.4 | S3 R7 I8 F9 L268 V269 E272 | S3-V5 PolarHBondContact O-N 3.42Å; V5-R7 VanDerWaalsContact C-N 3.31Å; V5-R7 PolarHBondContact O-N 3.23Å; V5-I8 PolarHBondContact O-N 3.48Å; V5-F9 WeakPolarHBondContact O-CB 3.38Å; V5-F9 PolarHBondContact O-N 3.22Å; V5-L268 HydrophobicContact CG1-CB 3.75Å; V5-L268 HydrophobicContact CG1-CD1 4.38Å; V5-V269 HydrophobicContact CB-CG2 4.42Å; V5-V269 HydrophobicContact CG1-CG2 3.76Å; V5-E272 WeakPolarHBondContact CG2-OE1 3.27Å |
| 6 | R | 90.9 | Very high | 88.1 | Confident | 38 Ų | 38 | 67.9 Ų | 67.9 | 14% | 0.143 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66 | -33.3 | -179.4 | -168.7 | 167.8 | 169.2 | -164.7 | -10.8 | 112.6 | H2 S3 T4 H10 A94 F95 N96 V269 | H2-R6 PolarHBondContact CE1-NE 2.92Å; H2-R6 VanDerWaalsContact CE1-NE 3.29Å; H2-R6 PolarHBondContact CE1-NH2 3.48Å; H2-R6 VanDerWaalsContact ND1-CD 3.26Å; H2-R6 WeakPolarHBondContact ND1-CD 3.2Å; H2-R6 WeakPolarHBondContact ND1-CG 3.36Å; H2-R6 PolarHBondContact ND1-NE 2.95Å; H2-R6 VanDerWaalsContact ND1-NE 3.17Å; S3-R6 PolarHBondContact O-N 2.94Å; S3-R6 VanDerWaalsContact O-N 3.14Å; S3-R6 WeakPolarHBondContact OG-CB 3.33Å; S3-R6 PolarHBondContact OG-N 2.97Å; T4-R6 PolarHBondContact O-N 3.34Å; R6-H10 WeakPolarHBondContact O-CB 3.22Å; R6-H10 PolarHBondContact O-N 3.12Å; R6-H10 VanDerWaalsContact O-N 3.08Å; R6-A94 PolarHBondContact NE-O 3.19Å; R6-A94 PolarHBondContact NH2-O 3.32Å; R6-F95 PolarHBondContact NH2-O 3.45Å; R6-N96 VanDerWaalsContact CZ-O 3.27Å; R6-N96 PolarHBondContact NH2-O 3.05Å; R6-V269 HydrophobicContact CB-CG2 4.38Å |
| 7 | R | 91.1 | Very high | 88.6 | Confident | 145 Ų | 145 | 65.1 Ų | 65.1 | 55% | 0.547 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -67.1 | -45.1 | 172 | -61.8 | -175.1 | -161.9 | -161.2 | 3.5 | 111.4 | H2 S3 T4 V5 H10 V11 | H2-R7 HydrophobicContact CB-CG 4.04Å; H2-R7 PolarHBondContact O-NE 3.42Å; S3-R7 PolarHBondContact O-N 3.4Å; T4-R7 PolarHBondContact O-N 3.01Å; V5-R7 VanDerWaalsContact C-N 3.31Å; V5-R7 PolarHBondContact O-N 3.23Å; R7-H10 PolarHBondContact O-N 3.18Å; R7-V11 WeakPolarHBondContact O-CG2 3.05Å; R7-V11 PolarHBondContact O-N 3.38Å |
| 8 | I | 92.6 | Very high | 89.1 | Confident | 85 Ų | 85 | 67.6 Ų | 67.6 | 44% | 0.436 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.7 | -48.4 | 176.7 | -67.8 | 165.9 | 0 | 0 | 0 | 110.3 | T4 V5 H10 V11 L12 | T4-I8 HydrophobicContact CG2-CD1 4.04Å; T4-I8 WeakPolarHBondContact O-CG1 3.31Å; T4-I8 PolarHBondContact O-N 3.28Å; V5-I8 PolarHBondContact O-N 3.48Å; I8-H10 VanDerWaalsContact C-N 3.32Å; I8-H10 PolarHBondContact O-N 2.83Å; I8-V11 PolarHBondContact O-N 3.3Å; I8-L12 HydrophobicContact CG2-CD1 3.75Å; I8-L12 HydrophobicContact CG2-CG 4.2Å; I8-L12 WeakPolarHBondContact O-CB 3.31Å; I8-L12 WeakPolarHBondContact O-CG 3.3Å; I8-L12 PolarHBondContact O-N 3.29Å |
| 9 | F | 94.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -55.9 | -46 | 176.7 | 175.8 | -104.3 | 0 | 0 | 0 | 112.1 | V5 N13 G90 I93 A94 F102 Y105 L262 C265 V266 | V5-F9 WeakPolarHBondContact O-CB 3.38Å; V5-F9 PolarHBondContact O-N 3.22Å; F9-N13 WeakPolarHBondContact CD2-ND2 3.49Å; F9-N13 WeakPolarHBondContact CE2-ND2 3.4Å; F9-N13 WeakPolarHBondContact CZ-ND2 3.43Å; F9-N13 PolarHBondContact O-N 3.38Å; F9-N13 VanDerWaalsContact O-N 3.1Å; F9-N13 PolarHBondContact O-ND2 3.2Å; F9-G90 WeakPolarHBondContact CE1-O 3.49Å; F9-I93 HydrophobicContact CE1-CD1 4.19Å; F9-I93 HydrophobicContact CE1-CG1 4.02Å; F9-I93 HydrophobicContact CZ-CD1 4.12Å; F9-I93 HydrophobicContact CZ-CG1 4.39Å; F9-A94 HydrophobicContact CD1-CB 3.9Å; F9-A94 HydrophobicContact CE1-CB 4.15Å; F9-F102 HydrophobicContact CD1-CE1 4.1Å; F9-F102 AromaticContact CE1-CE1 3.75Å; F9-F102 HydrophobicContact CE1-CE1 3.75Å; F9-F102 HydrophobicContact CZ-CE1 4.29Å; F9-Y105 HydrophobicContact CE2-CD1 4.27Å; F9-Y105 AromaticContact CE2-CE1 3.66Å; F9-Y105 HydrophobicContact CE2-CE1 3.66Å; F9-Y105 AromaticContact CZ-CD1 3.98Å; F9-Y105 HydrophobicContact CZ-CD1 3.98Å; F9-Y105 AromaticContact CZ-CE1 3.64Å; F9-Y105 HydrophobicContact CZ-CE1 3.64Å; F9-L262 HydrophobicContact CD2-CD2 4.18Å; F9-L262 HydrophobicContact CE2-CD2 4.24Å; F9-C265 HydrophobicContact CB-CB 4.2Å; F9-C265 HydrophobicContact CD2-CB 3.84Å; F9-C265 HydrophobicContact CG-CB 4.48Å; F9-V266 HydrophobicContact CD2-CG2 4.02Å; F9-V266 HydrophobicContact CE2-CG2 3.32Å; F9-V266 HydrophobicContact CZ-CG2 3.85Å |
| 10 | H | 94.1 | Very high | 89.7 | Confident | 41 Ų | 41 | 66.2 Ų | 66.2 | 19% | 0.19 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62 | -48 | 177.8 | -176.6 | 66.8 | 0 | 0 | 0 | 112.2 | R6 R7 I8 L12 N13 L14 A91 A94 F95 | R6-H10 WeakPolarHBondContact O-CB 3.22Å; R6-H10 PolarHBondContact O-N 3.12Å; R6-H10 VanDerWaalsContact O-N 3.08Å; R7-H10 PolarHBondContact O-N 3.18Å; I8-H10 VanDerWaalsContact C-N 3.32Å; I8-H10 PolarHBondContact O-N 2.83Å; H10-L12 PolarHBondContact O-N 2.91Å; H10-N13 PolarHBondContact O-N 3.1Å; H10-L14 WeakPolarHBondContact NE2-CD1 3.45Å; H10-L14 PolarHBondContact O-N 3.28Å; H10-A91 PolarHBondContact CE1-O 3.3Å; H10-A91 PolarHBondContact ND1-O 3.44Å; H10-A94 HydrophobicContact CB-CB 3.77Å; H10-F95 AromaticContact CE1-CE2 3.3Å; H10-F95 WeakPolarHBondContact CE1-CE2 3.43Å; H10-F95 AromaticContact CE1-CZ 3.29Å; H10-F95 WeakPolarHBondContact CE1-CZ 3.3Å; H10-F95 AromaticContact ND1-CE2 3.8Å; H10-F95 AromaticContact ND1-CZ 3.86Å; H10-F95 AromaticContact NE2-CZ 3.54Å |
| 11 | V | 94.5 | Very high | 90 | Very high | 77 Ų | 77 | 66.5 Ų | 66.5 | 47% | 0.467 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.7 | -44 | 179.8 | 171.5 | 0 | 0 | 0 | 0 | 111.4 | R7 I8 N13 L14 I15 | R7-V11 WeakPolarHBondContact O-CG2 3.05Å; R7-V11 PolarHBondContact O-N 3.38Å; I8-V11 PolarHBondContact O-N 3.3Å; V11-N13 PolarHBondContact O-N 3.4Å; V11-L14 PolarHBondContact O-N 2.92Å; V11-I15 HydrophobicContact CG1-CD1 3.79Å; V11-I15 HydrophobicContact CG1-CG1 4.41Å; V11-I15 WeakPolarHBondContact O-CG1 3.5Å; V11-I15 PolarHBondContact O-N 2.98Å |
| 12 | L | 94.7 | Very high | 92.3 | Very high | 58 Ų | 58 | 61.7 Ų | 61.7 | 30% | 0.304 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.5 | -45.1 | 177.6 | -73.5 | 173.5 | 0 | 0 | 0 | 111.7 | I8 H10 L14 I15 C16 L262 | I8-L12 HydrophobicContact CG2-CD1 3.75Å; I8-L12 HydrophobicContact CG2-CG 4.2Å; I8-L12 WeakPolarHBondContact O-CB 3.31Å; I8-L12 WeakPolarHBondContact O-CG 3.3Å; I8-L12 PolarHBondContact O-N 3.29Å; H10-L12 PolarHBondContact O-N 2.91Å; L12-L14 VanDerWaalsContact C-N 3.35Å; L12-L14 PolarHBondContact O-N 3.34Å; L12-I15 PolarHBondContact O-N 3.44Å; L12-C16 WeakPolarHBondContact O-CB 3.06Å; L12-C16 PolarHBondContact O-N 3.29Å; L12-C16 PolarHBondContact O-SG 3.37Å; L12-L262 HydrophobicContact CB-CD2 3.76Å; L12-L262 HydrophobicContact CD1-CD2 4.41Å |
| 13 | N | 96.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.9 | -42 | 176 | -83.1 | -77.1 | 0 | 0 | 0 | 112.4 | F9 H10 V11 C16 L17 A91 Y105 | F9-N13 WeakPolarHBondContact CD2-ND2 3.49Å; F9-N13 WeakPolarHBondContact CE2-ND2 3.4Å; F9-N13 WeakPolarHBondContact CZ-ND2 3.43Å; F9-N13 PolarHBondContact O-N 3.38Å; F9-N13 VanDerWaalsContact O-N 3.1Å; F9-N13 PolarHBondContact O-ND2 3.2Å; H10-N13 PolarHBondContact O-N 3.1Å; V11-N13 PolarHBondContact O-N 3.4Å; N13-C16 PolarHBondContact O-N 2.97Å; N13-L17 WeakPolarHBondContact O-CB 3.4Å; N13-L17 PolarHBondContact O-N 2.87Å; N13-A91 HydrophobicContact CB-CB 4.08Å; N13-Y105 PolarHBondContact OD1-OH 2.84Å |
| 14 | L | 95.9 | Very high | 94.4 | Very high | 69 Ų | 69 | 60.5 Ų | 60.5 | 36% | 0.361 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64 | -42.2 | 177.1 | -73.9 | 179.5 | 0 | 0 | 0 | 112.6 | H10 V11 L12 L17 L18 A91 | H10-L14 WeakPolarHBondContact NE2-CD1 3.45Å; H10-L14 PolarHBondContact O-N 3.28Å; V11-L14 PolarHBondContact O-N 2.92Å; L12-L14 VanDerWaalsContact C-N 3.35Å; L12-L14 PolarHBondContact O-N 3.34Å; L14-L17 PolarHBondContact O-N 2.81Å; L14-L18 WeakPolarHBondContact O-CG 3.45Å; L14-L18 PolarHBondContact O-N 2.97Å; L14-A91 HydrophobicContact CD2-CB 3.99Å; L14-A91 HydrophobicContact CG-CB 4.38Å |
| 15 | I | 95.7 | Very high | 94.7 | Very high | 91 Ų | 91 | 59 Ų | 59 | 47% | 0.467 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.6 | -47.9 | 176.5 | -67.3 | 167.8 | 0 | 0 | 0 | 109.9 | V11 L12 L17 L18 V19 | V11-I15 HydrophobicContact CG1-CD1 3.79Å; V11-I15 HydrophobicContact CG1-CG1 4.41Å; V11-I15 WeakPolarHBondContact O-CG1 3.5Å; V11-I15 PolarHBondContact O-N 2.98Å; L12-I15 PolarHBondContact O-N 3.44Å; I15-L17 VanDerWaalsContact C-N 3.34Å; I15-L17 PolarHBondContact O-N 3.27Å; I15-L18 PolarHBondContact O-N 2.53Å; I15-V19 WeakPolarHBondContact O-CG2 3.34Å; I15-V19 PolarHBondContact O-N 2.73Å |
| 16 | C | 95.9 | Very high | 94.9 | Very high | 14 Ų | 14 | 62.7 Ų | 62.7 | 10% | 0.095 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.6 | -39.4 | -179.7 | -61.3 | 0 | 0 | 0 | 0 | 111.9 | L12 N13 V19 L20 Y87 I258 | L12-C16 WeakPolarHBondContact O-CB 3.06Å; L12-C16 PolarHBondContact O-N 3.29Å; L12-C16 PolarHBondContact O-SG 3.37Å; N13-C16 PolarHBondContact O-N 2.97Å; C16-V19 PolarHBondContact O-N 3.38Å; C16-L20 WeakPolarHBondContact O-CB 3.21Å; C16-L20 WeakPolarHBondContact O-CG 3.37Å; C16-L20 PolarHBondContact O-N 2.87Å; C16-Y87 HydrophobicContact CB-CD1 4.26Å; C16-Y87 HydrophobicContact CB-CD2 3.42Å; C16-Y87 VanDerWaalsContact CB-CD2 3.42Å; C16-Y87 HydrophobicContact CB-CE1 4.31Å; C16-Y87 HydrophobicContact CB-CE2 3.43Å; C16-Y87 VanDerWaalsContact CB-CE2 3.43Å; C16-Y87 HydrophobicContact CB-CG 3.86Å; C16-I258 WeakPolarHBondContact SG-CG2 3.25Å |
| 17 | L | 96.7 | Very high | 95.1 | Very high | 21 Ų | 21 | 62.6 Ų | 62.6 | 11% | 0.11 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.2 | -49.8 | 173.2 | 175.6 | 63.9 | 0 | 0 | 0 | 111.1 | N13 L14 I15 V19 L20 L21 A84 L88 | N13-L17 WeakPolarHBondContact O-CB 3.4Å; N13-L17 PolarHBondContact O-N 2.87Å; L14-L17 PolarHBondContact O-N 2.81Å; I15-L17 VanDerWaalsContact C-N 3.34Å; I15-L17 PolarHBondContact O-N 3.27Å; L17-V19 PolarHBondContact O-N 3.21Å; L17-L20 PolarHBondContact O-N 2.99Å; L17-L21 HydrophobicContact CD1-CD1 3.87Å; L17-L21 HydrophobicContact CD1-CG 4Å; L17-L21 HydrophobicContact CG-CD1 3.93Å; L17-L21 HydrophobicContact CG-CG 4.42Å; L17-L21 WeakPolarHBondContact O-CB 3.43Å; L17-L21 VanDerWaalsContact O-CG 3.27Å; L17-L21 WeakPolarHBondContact O-CG 3.26Å; L17-L21 PolarHBondContact O-N 2.96Å; L17-A84 HydrophobicContact CD1-CB 4.08Å; L17-A84 VanDerWaalsContact CD1-O 3.29Å; L17-A84 WeakPolarHBondContact CD1-O 3.3Å; L17-L88 HydrophobicContact CD1-CB 4.13Å; L17-L88 HydrophobicContact CD2-CB 4.33Å; L17-L88 HydrophobicContact CD2-CD1 4.03Å |
| 18 | L | 96.3 | Very high | 95.3 | Very high | 110 Ų | 110 | 57.8 Ų | 57.8 | 58% | 0.576 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -60 | -47.5 | 178.9 | -77.4 | 167.2 | 0 | 0 | 0 | 111.8 | L14 I15 L20 L21 L22 | L14-L18 WeakPolarHBondContact O-CG 3.45Å; L14-L18 PolarHBondContact O-N 2.97Å; I15-L18 PolarHBondContact O-N 2.53Å; L18-L20 VanDerWaalsContact C-N 3.34Å; L18-L20 PolarHBondContact O-N 2.92Å; L18-L21 PolarHBondContact O-N 2.77Å; L18-L22 VanDerWaalsContact O-CG 3.32Å; L18-L22 WeakPolarHBondContact O-CG 3.38Å; L18-L22 PolarHBondContact O-N 3.08Å |
| 19 | V | 95.1 | Very high | 95.3 | Very high | 88 Ų | 88 | 57.5 Ų | 57.5 | 53% | 0.533 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.3 | -44.7 | 179 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | I15 C16 L17 L22 A23 | I15-V19 WeakPolarHBondContact O-CG2 3.34Å; I15-V19 PolarHBondContact O-N 2.73Å; C16-V19 PolarHBondContact O-N 3.38Å; L17-V19 PolarHBondContact O-N 3.21Å; V19-L22 PolarHBondContact O-N 3.05Å; V19-A23 PolarHBondContact O-N 2.91Å |
| 20 | L | 95.2 | Very high | 95.2 | Very high | 18 Ų | 18 | 57.7 Ų | 57.7 | 9% | 0.094 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -74.1 | -30.8 | -179.7 | -74.9 | -170.8 | 0 | 0 | 0 | 114.1 | C16 L17 L18 A23 F24 F83 A84 Y87 | C16-L20 WeakPolarHBondContact O-CB 3.21Å; C16-L20 WeakPolarHBondContact O-CG 3.37Å; C16-L20 PolarHBondContact O-N 2.87Å; L17-L20 PolarHBondContact O-N 2.99Å; L18-L20 VanDerWaalsContact C-N 3.34Å; L18-L20 PolarHBondContact O-N 2.92Å; L20-A23 PolarHBondContact O-N 3.18Å; L20-F24 VanDerWaalsContact O-CB 3.28Å; L20-F24 WeakPolarHBondContact O-CB 3.34Å; L20-F24 PolarHBondContact O-N 3.06Å; L20-F83 HydrophobicContact CD1-CB 3.18Å; L20-F83 HydrophobicContact CD1-CG 4.28Å; L20-A84 HydrophobicContact CB-CB 4.29Å; L20-Y87 HydrophobicContact CD1-CD2 3.62Å; L20-Y87 HydrophobicContact CD1-CE2 3.3Å; L20-Y87 HydrophobicContact CG-CD2 4.4Å; L20-Y87 HydrophobicContact CG-CE2 4.11Å |
| 21 | L | 96 | Very high | 95.1 | Very high | 73 Ų | 73 | 57.3 Ų | 57.3 | 38% | 0.382 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.8 | -41.6 | 171.1 | -74.5 | 175.6 | 0 | 0 | 0 | 110.9 | L17 L18 F24 V25 A84 | L17-L21 HydrophobicContact CD1-CD1 3.87Å; L17-L21 HydrophobicContact CD1-CG 4Å; L17-L21 HydrophobicContact CG-CD1 3.93Å; L17-L21 HydrophobicContact CG-CG 4.42Å; L17-L21 WeakPolarHBondContact O-CB 3.43Å; L17-L21 VanDerWaalsContact O-CG 3.27Å; L17-L21 WeakPolarHBondContact O-CG 3.26Å; L17-L21 PolarHBondContact O-N 2.96Å; L18-L21 PolarHBondContact O-N 2.77Å; L21-F24 PolarHBondContact O-N 2.65Å; L21-V25 WeakPolarHBondContact O-CB 3.39Å; L21-V25 VanDerWaalsContact O-CG2 3.28Å; L21-V25 WeakPolarHBondContact O-CG2 3.46Å; L21-V25 PolarHBondContact O-N 3.29Å; L21-A84 HydrophobicContact CD2-CB 4.14Å; L21-A84 HydrophobicContact CG-CB 4.47Å |
| 22 | L | 96.2 | Very high | 94.8 | Very high | 126 Ų | 126 | 62.3 Ų | 62.3 | 66% | 0.66 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -61.8 | -43.9 | 173.3 | -70.1 | 173.7 | 0 | 0 | 0 | 111.4 | L18 V19 V25 F26 | L18-L22 VanDerWaalsContact O-CG 3.32Å; L18-L22 WeakPolarHBondContact O-CG 3.38Å; L18-L22 PolarHBondContact O-N 3.08Å; V19-L22 PolarHBondContact O-N 3.05Å; L22-V25 PolarHBondContact O-N 3.17Å; L22-F26 WeakPolarHBondContact O-CB 3.24Å; L22-F26 PolarHBondContact O-N 2.97Å |
| 23 | A | 94.6 | Very high | 94.5 | Very high | 27 Ų | 27 | 62.3 Ų | 62.3 | 22% | 0.223 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.2 | -44 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | V19 L20 F26 F27 | V19-A23 PolarHBondContact O-N 2.91Å; L20-A23 PolarHBondContact O-N 3.18Å; A23-F26 WeakPolarHBondContact O-CB 3.42Å; A23-F26 PolarHBondContact O-N 3.22Å; A23-F27 HydrophobicContact CB-CE2 4.1Å; A23-F27 WeakPolarHBondContact O-CD2 3.35Å; A23-F27 WeakPolarHBondContact O-CG 3.44Å; A23-F27 PolarHBondContact O-N 3.5Å |
| 24 | F | 96.4 | Very high | 94 | Very high | 49 Ų | 49 | 66.3 Ų | 66.3 | 22% | 0.215 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.2 | -49.3 | 176.4 | 175.1 | -103.2 | 0 | 0 | 0 | 111.5 | L20 L21 F26 F27 V28 M77 L81 | L20-F24 VanDerWaalsContact O-CB 3.28Å; L20-F24 WeakPolarHBondContact O-CB 3.34Å; L20-F24 PolarHBondContact O-N 3.06Å; L21-F24 PolarHBondContact O-N 2.65Å; F24-F26 VanDerWaalsContact C-N 3.29Å; F24-F26 PolarHBondContact O-N 3.48Å; F24-F27 PolarHBondContact O-N 3.26Å; F24-F27 VanDerWaalsContact O-N 3.14Å; F24-V28 HydrophobicContact CD1-CG2 4.22Å; F24-V28 HydrophobicContact CD2-CG2 4.34Å; F24-V28 HydrophobicContact CE1-CG2 3.8Å; F24-V28 HydrophobicContact CE2-CG2 3.93Å; F24-V28 HydrophobicContact CG-CG2 4.48Å; F24-V28 HydrophobicContact CZ-CG2 3.65Å; F24-V28 WeakPolarHBondContact O-CG2 3.47Å; F24-V28 PolarHBondContact O-N 3.45Å; F24-M77 HydrophobicContact CD2-CG 3.88Å; F24-M77 WeakPolarHBondContact CD2-O 3.35Å; F24-M77 HydrophobicContact CE2-CG 3.62Å; F24-L81 HydrophobicContact CD2-CB 3.86Å; F24-L81 HydrophobicContact CE2-CB 3.81Å; F24-L81 HydrophobicContact CE2-CD1 4.25Å; F24-L81 HydrophobicContact CE2-CD2 4.15Å; F24-L81 HydrophobicContact CE2-CG 4.29Å; F24-L81 HydrophobicContact CZ-CD1 4.28Å; F24-L81 HydrophobicContact CZ-CD2 4.38Å |
| 25 | V | 96.2 | Very high | 93.6 | Very high | 77 Ų | 77 | 65.2 Ų | 65.2 | 47% | 0.467 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -58.7 | -43.4 | 176.1 | 170.9 | 0 | 0 | 0 | 0 | 110.6 | L21 L22 F27 V28 I29 | L21-V25 WeakPolarHBondContact O-CB 3.39Å; L21-V25 VanDerWaalsContact O-CG2 3.28Å; L21-V25 WeakPolarHBondContact O-CG2 3.46Å; L21-V25 PolarHBondContact O-N 3.29Å; L22-V25 PolarHBondContact O-N 3.17Å; V25-F27 PolarHBondContact O-N 3.1Å; V25-V28 PolarHBondContact O-N 3.41Å; V25-I29 HydrophobicContact CG1-CD1 3.78Å; V25-I29 HydrophobicContact CG1-CG1 4.45Å; V25-I29 WeakPolarHBondContact O-CB 3.36Å; V25-I29 VanDerWaalsContact O-CG1 3.25Å; V25-I29 WeakPolarHBondContact O-CG1 3.47Å; V25-I29 PolarHBondContact O-N 3.36Å |
| 26 | F | 94.4 | Very high | 93.2 | Very high | 109 Ų | 109 | 61.1 Ų | 61.1 | 48% | 0.478 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.5 | -46.9 | 174.4 | 173.4 | -93.5 | 0 | 0 | 0 | 112 | L22 A23 F24 I29 A30 L35 | L22-F26 WeakPolarHBondContact O-CB 3.24Å; L22-F26 PolarHBondContact O-N 2.97Å; A23-F26 WeakPolarHBondContact O-CB 3.42Å; A23-F26 PolarHBondContact O-N 3.22Å; F24-F26 VanDerWaalsContact C-N 3.29Å; F24-F26 PolarHBondContact O-N 3.48Å; F26-I29 PolarHBondContact O-N 3.1Å; F26-A30 VanDerWaalsContact O-CB 3.32Å; F26-A30 WeakPolarHBondContact O-CB 3.17Å; F26-A30 PolarHBondContact O-N 3.34Å; F26-L35 HydrophobicContact CD2-CD2 4.48Å; F26-L35 HydrophobicContact CE2-CD2 3.67Å; F26-L35 HydrophobicContact CZ-CD2 3.76Å |
| 27 | F | 94.6 | Very high | 92.8 | Very high | 36 Ų | 36 | 60.5 Ų | 60.5 | 16% | 0.158 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67 | -37.8 | 179.1 | -66.2 | -50.4 | 0 | 0 | 0 | 112.8 | A23 F24 V25 A30 F31 I73 L76 M77 S80 | A23-F27 HydrophobicContact CB-CE2 4.1Å; A23-F27 WeakPolarHBondContact O-CD2 3.35Å; A23-F27 WeakPolarHBondContact O-CG 3.44Å; A23-F27 PolarHBondContact O-N 3.5Å; F24-F27 PolarHBondContact O-N 3.26Å; F24-F27 VanDerWaalsContact O-N 3.14Å; V25-F27 PolarHBondContact O-N 3.1Å; F27-A30 PolarHBondContact O-N 3.41Å; F27-F31 VanDerWaalsContact O-CB 3.28Å; F27-F31 WeakPolarHBondContact O-CB 3.13Å; F27-F31 PolarHBondContact O-N 3.49Å; F27-I73 HydrophobicContact CB-CG2 4.22Å; F27-I73 HydrophobicContact CD1-CG2 4.42Å; F27-L76 HydrophobicContact CD1-CB 4.31Å; F27-L76 HydrophobicContact CD2-CB 4.17Å; F27-L76 HydrophobicContact CE1-CB 4.05Å; F27-L76 HydrophobicContact CE1-CD1 3.86Å; F27-L76 HydrophobicContact CE2-CB 3.91Å; F27-L76 HydrophobicContact CG-CB 4.39Å; F27-L76 HydrophobicContact CZ-CB 3.85Å; F27-L76 HydrophobicContact CZ-CD1 3.97Å; F27-L76 HydrophobicContact CZ-CG 4.41Å; F27-M77 HydrophobicContact CB-CB 3.91Å; F27-M77 HydrophobicContact CB-CG 4.32Å; F27-S80 WeakPolarHBondContact CE2-OG 3.28Å |
| 28 | V | 94.7 | Very high | 92.4 | Very high | 44 Ų | 44 | 65.7 Ų | 65.7 | 27% | 0.267 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.5 | -48.2 | 172.7 | 170.7 | 0 | 0 | 0 | 0 | 110.1 | F24 V25 A30 F31 W32 M77 | F24-V28 HydrophobicContact CD1-CG2 4.22Å; F24-V28 HydrophobicContact CD2-CG2 4.34Å; F24-V28 HydrophobicContact CE1-CG2 3.8Å; F24-V28 HydrophobicContact CE2-CG2 3.93Å; F24-V28 HydrophobicContact CG-CG2 4.48Å; F24-V28 HydrophobicContact CZ-CG2 3.65Å; F24-V28 WeakPolarHBondContact O-CG2 3.47Å; F24-V28 PolarHBondContact O-N 3.45Å; V25-V28 PolarHBondContact O-N 3.41Å; V28-A30 PolarHBondContact O-N 2.99Å; V28-F31 PolarHBondContact O-N 2.97Å; V28-W32 VanDerWaalsContact O-CD1 3.24Å; V28-W32 PolarHBondContact O-N 3.04Å; V28-M77 HydrophobicContact CG2-CG 4.16Å; V28-M77 HydrophobicContact CG2-SD 3.77Å |
| 29 | I | 93.6 | Very high | 91.9 | Very high | 79 Ų | 79 | 66.8 Ų | 66.8 | 41% | 0.405 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.8 | -47.7 | 175.4 | -68.6 | 167.7 | 0 | 0 | 0 | 109.8 | V25 F26 F31 W32 T33 | V25-I29 HydrophobicContact CG1-CD1 3.78Å; V25-I29 HydrophobicContact CG1-CG1 4.45Å; V25-I29 WeakPolarHBondContact O-CB 3.36Å; V25-I29 VanDerWaalsContact O-CG1 3.25Å; V25-I29 WeakPolarHBondContact O-CG1 3.47Å; V25-I29 PolarHBondContact O-N 3.36Å; F26-I29 PolarHBondContact O-N 3.1Å; I29-F31 VanDerWaalsContact C-N 3.28Å; I29-F31 PolarHBondContact O-N 3.14Å; I29-W32 PolarHBondContact O-N 3.36Å; I29-T33 HydrophobicContact CG2-CG2 3.91Å; I29-T33 WeakPolarHBondContact O-CA 3.3Å; I29-T33 WeakPolarHBondContact O-CB 3.38Å; I29-T33 VanDerWaalsContact O-CG2 3.29Å; I29-T33 WeakPolarHBondContact O-CG2 3.35Å; I29-T33 PolarHBondContact O-N 2.99Å; I29-T33 PolarHBondContact O-OG1 3.3Å |
| 30 | A | 91.8 | Very high | 91.6 | Very high | 5 Ų | 5 | 63.5 Ų | 63.5 | 4% | 0.041 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.5 | -35.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | F26 F27 V28 L35 I73 | F26-A30 VanDerWaalsContact O-CB 3.32Å; F26-A30 WeakPolarHBondContact O-CB 3.17Å; F26-A30 PolarHBondContact O-N 3.34Å; F27-A30 PolarHBondContact O-N 3.41Å; V28-A30 PolarHBondContact O-N 2.99Å; A30-L35 HydrophobicContact CB-CB 4.44Å; A30-L35 HydrophobicContact CB-CD2 3.63Å; A30-I73 HydrophobicContact CB-CD1 3.99Å |
| 31 | F | 91.3 | Very high | 91.2 | Very high | 32 Ų | 32 | 65.5 Ų | 65.5 | 14% | 0.14 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -71.9 | -46.4 | 178.9 | -173.3 | -91.3 | 0 | 0 | 0 | 112.5 | F27 V28 I29 R66 R70 I73 L74 | F27-F31 VanDerWaalsContact O-CB 3.28Å; F27-F31 WeakPolarHBondContact O-CB 3.13Å; F27-F31 PolarHBondContact O-N 3.49Å; V28-F31 PolarHBondContact O-N 2.97Å; I29-F31 VanDerWaalsContact C-N 3.28Å; I29-F31 PolarHBondContact O-N 3.14Å; F31-R66 PolarHBondContact O-NH2 3.43Å; F31-R70 HydrophobicContact CD2-CG 4.43Å; F31-R70 HydrophobicContact CE2-CG 4.01Å; F31-I73 HydrophobicContact CB-CG2 3.97Å; F31-I73 HydrophobicContact CD2-CG2 4.25Å; F31-L74 HydrophobicContact CE2-CB 4.28Å; F31-L74 HydrophobicContact CE2-CD1 4.14Å; F31-L74 HydrophobicContact CZ-CD1 4.44Å |
| 32 | W | 88.3 | Confident | 90.8 | Very high | 182 Ų | 182 | 65.6 Ų | 65.6 | 69% | 0.689 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -89.5 | -25.9 | -173.4 | -70 | 105.2 | 0 | 0 | 0 | 114 | V28 I29 R66 | V28-W32 VanDerWaalsContact O-CD1 3.24Å; V28-W32 PolarHBondContact O-N 3.04Å; I29-W32 PolarHBondContact O-N 3.36Å; W32-R66 PolarHBondContact O-NH2 3.49Å |
| 33 | T | 88.8 | Confident | 90.5 | Very high | 59 Ų | 59 | 60.7 Ų | 60.7 | 36% | 0.362 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -99.6 | 179.1 | -176.9 | 75 | 0 | 0 | 0 | 0 | 113.1 | I29 L35 R66 | I29-T33 HydrophobicContact CG2-CG2 3.91Å; I29-T33 WeakPolarHBondContact O-CA 3.3Å; I29-T33 WeakPolarHBondContact O-CB 3.38Å; I29-T33 VanDerWaalsContact O-CG2 3.29Å; I29-T33 WeakPolarHBondContact O-CG2 3.35Å; I29-T33 PolarHBondContact O-N 2.99Å; I29-T33 PolarHBondContact O-OG1 3.3Å; T33-L35 PolarHBondContact O-N 3.38Å; T33-L35 PolarHBondContact OG1-N 3.37Å; T33-R66 VanDerWaalsContact C-NH2 3.31Å; T33-R66 PolarHBondContact O-NH2 3.2Å |
| 34 | K | 87 | Confident | 90.3 | Very high | 83 Ų | 83 | 59.9 Ų | 59.9 | 36% | 0.361 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -83.1 | 26.9 | 177.3 | -51.9 | -170.9 | -162.8 | -170.7 | 0 | 112.5 | P36 V37 K38 D59 | K34-P36 VanDerWaalsContact C-CD 3.49Å; K34-V37 HydrophobicContact CB-CG1 3.73Å; K34-V37 WeakPolarHBondContact O-CG1 3.49Å; K34-V37 PolarHBondContact O-N 2.95Å; K34-K38 PolarHBondContact O-N 3.31Å; K34-D59 WeakPolarHBondContact CD-OD1 3.26Å; K34-D59 WeakPolarHBondContact CE-OD1 3.29Å; K34-D59 IonicContact NZ-OD1 2.74Å; K34-D59 PolarHBondContact NZ-OD1 2.84Å; K34-D59 IonicContact NZ-OD2 2.67Å; K34-D59 PolarHBondContact NZ-OD2 3.23Å |
| 35 | L | 87.3 | Confident | 90 | Very high | 46 Ų | 46 | 63.2 Ų | 63.2 | 24% | 0.241 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.6 | -40.9 | -178.5 | -165.9 | 73.8 | 0 | 0 | 0 | 113.2 | F26 A30 T33 V37 K38 | F26-L35 HydrophobicContact CD2-CD2 4.48Å; F26-L35 HydrophobicContact CE2-CD2 3.67Å; F26-L35 HydrophobicContact CZ-CD2 3.76Å; A30-L35 HydrophobicContact CB-CB 4.44Å; A30-L35 HydrophobicContact CB-CD2 3.63Å; T33-L35 PolarHBondContact O-N 3.38Å; T33-L35 PolarHBondContact OG1-N 3.37Å; L35-V37 VanDerWaalsContact C-N 3.35Å; L35-V37 PolarHBondContact O-N 3.23Å; L35-K38 HydrophobicContact CD1-CD 4.41Å; L35-K38 WeakPolarHBondContact O-CB 3.2Å; L35-K38 PolarHBondContact O-N 3.17Å |
| 36 | P | 85.7 | Confident | 89.7 | Confident | 6 Ų | 6 | 64.3 Ų | 64.3 | 4% | 0.039 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57.5 | -46.5 | 179.1 | -26.5 | 36.2 | 0 | 0 | 0 | 112.4 | K34 K38 I39 L65 T69 | K34-P36 VanDerWaalsContact C-CD 3.49Å; P36-K38 PolarHBondContact O-N 2.98Å; P36-I39 WeakPolarHBondContact O-CB 3.45Å; P36-I39 PolarHBondContact O-N 3.5Å; P36-I39 VanDerWaalsContact O-N 3.07Å; P36-L65 HydrophobicContact CB-CB 4.26Å; P36-L65 HydrophobicContact CB-CD2 3.43Å; P36-L65 VanDerWaalsContact CB-CD2 3.43Å; P36-L65 HydrophobicContact CB-CG 3.67Å; P36-L65 WeakPolarHBondContact O-CD2 3.43Å; P36-T69 HydrophobicContact CB-CG2 4.18Å; P36-T69 HydrophobicContact CG-CG2 4.36Å |
| 37 | V | 88.8 | Confident | 89.6 | Confident | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.7 | -28.7 | -178.1 | 63 | 0 | 0 | 0 | 0 | 112 | K34 L35 I39 V40 E41 L44 V61 N62 | K34-V37 HydrophobicContact CB-CG1 3.73Å; K34-V37 WeakPolarHBondContact O-CG1 3.49Å; K34-V37 PolarHBondContact O-N 2.95Å; L35-V37 VanDerWaalsContact C-N 3.35Å; L35-V37 PolarHBondContact O-N 3.23Å; V37-I39 PolarHBondContact O-N 2.97Å; V37-I39 VanDerWaalsContact O-N 3.12Å; V37-V40 CarbonylContact O-C 3.58Å; V37-V40 PolarHBondContact O-N 2.92Å; V37-E41 WeakPolarHBondContact O-CB 3.49Å; V37-E41 PolarHBondContact O-N 2.81Å; V37-L44 HydrophobicContact CG2-CD1 4.08Å; V37-V61 HydrophobicContact CG2-CB 4.15Å; V37-V61 HydrophobicContact CG2-CG1 4.13Å; V37-N62 HydrophobicContact CB-CB 3.86Å; V37-N62 HydrophobicContact CG1-CB 3.78Å |
| 38 | K | 88.6 | Confident | 89.3 | Confident | 130 Ų | 130 | 62.3 Ų | 62.3 | 57% | 0.565 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -60.1 | -23 | 175 | -67.5 | -170.7 | 177.1 | -175.8 | 0 | 113.8 | K34 L35 P36 V40 P42 | K34-K38 PolarHBondContact O-N 3.31Å; L35-K38 HydrophobicContact CD1-CD 4.41Å; L35-K38 WeakPolarHBondContact O-CB 3.2Å; L35-K38 PolarHBondContact O-N 3.17Å; P36-K38 PolarHBondContact O-N 2.98Å; K38-V40 VanDerWaalsContact C-N 3.34Å; K38-P42 WeakPolarHBondContact O-CD 3.45Å |
| 39 | I | 86 | Confident | 89.1 | Confident | 133 Ų | 133 | 60.9 Ų | 60.9 | 68% | 0.682 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -70.5 | -36.6 | 175.2 | -59.4 | 173.3 | 0 | 0 | 0 | 110.4 | P36 V37 | P36-I39 WeakPolarHBondContact O-CB 3.45Å; P36-I39 PolarHBondContact O-N 3.5Å; P36-I39 VanDerWaalsContact O-N 3.07Å; V37-I39 PolarHBondContact O-N 2.97Å; V37-I39 VanDerWaalsContact O-N 3.12Å |
| 40 | V | 87.2 | Confident | 88.8 | Confident | 18 Ų | 18 | 63.6 Ų | 63.6 | 11% | 0.109 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -97.8 | -16.9 | -175.1 | -177.1 | 0 | 0 | 0 | 0 | 111.9 | V37 K38 P42 T43 L44 L65 V160 | V37-V40 CarbonylContact O-C 3.58Å; V37-V40 PolarHBondContact O-N 2.92Å; K38-V40 VanDerWaalsContact C-N 3.34Å; V40-P42 VanDerWaalsContact C-CD 3.41Å; V40-P42 VanDerWaalsContact C-N 3.35Å; V40-T43 WeakPolarHBondContact O-CA 3.47Å; V40-T43 WeakPolarHBondContact O-CB 3.36Å; V40-T43 PolarHBondContact O-N 3.46Å; V40-L44 HydrophobicContact CG1-CD1 4.26Å; V40-L44 HydrophobicContact CG1-CG 4.04Å; V40-L44 PolarHBondContact O-N 3.14Å; V40-L65 HydrophobicContact CG2-CD2 4.01Å; V40-V160 HydrophobicContact CG1-CB 4.16Å; V40-V160 HydrophobicContact CG1-CG1 3.6Å; V40-V160 HydrophobicContact CG1-CG2 3.78Å |
| 41 | E | 87.9 | Confident | 88.6 | Confident | 60 Ų | 60 | 65.4 Ų | 65.4 | 28% | 0.28 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -52.5 | -40.6 | 178.6 | -174 | -178.9 | 174.1 | 0 | 0 | 113.8 | V37 T43 L44 K45 | V37-E41 WeakPolarHBondContact O-CB 3.49Å; V37-E41 PolarHBondContact O-N 2.81Å; E41-T43 VanDerWaalsContact C-N 3.25Å; E41-T43 PolarHBondContact O-N 3.35Å; E41-L44 PolarHBondContact O-N 3.46Å; E41-K45 HydrophobicContact CG-CD 4.16Å; E41-K45 HydrophobicContact CG-CG 4.4Å; E41-K45 WeakPolarHBondContact O-CB 3.34Å; E41-K45 WeakPolarHBondContact O-CG 3.48Å; E41-K45 PolarHBondContact O-N 3.08Å; E41-K45 WeakPolarHBondContact OE1-CE 3.31Å; E41-K45 IonicContact OE1-NZ 2.8Å; E41-K45 PolarHBondContact OE1-NZ 3.2Å |
| 42 | P | 88.3 | Confident | 88.4 | Confident | 76 Ų | 76 | 64.9 Ų | 64.9 | 49% | 0.494 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.5 | -32.1 | 174.2 | -22.1 | 34.3 | 0 | 0 | 0 | 113.2 | K38 V40 K46 | K38-P42 WeakPolarHBondContact O-CD 3.45Å; V40-P42 VanDerWaalsContact C-CD 3.41Å; V40-P42 VanDerWaalsContact C-N 3.35Å; P42-K46 WeakPolarHBondContact O-CG 3.29Å |
| 43 | T | 89.1 | Confident | 88.4 | Confident | 22 Ų | 22 | 62.2 Ų | 62.2 | 14% | 0.135 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -76.2 | -45.8 | 175.4 | -55.3 | 0 | 0 | 0 | 0 | 110.5 | V40 E41 K45 K46 V160 F208 | V40-T43 WeakPolarHBondContact O-CA 3.47Å; V40-T43 WeakPolarHBondContact O-CB 3.36Å; V40-T43 PolarHBondContact O-N 3.46Å; E41-T43 VanDerWaalsContact C-N 3.25Å; E41-T43 PolarHBondContact O-N 3.35Å; T43-K45 VanDerWaalsContact C-N 3.33Å; T43-K45 PolarHBondContact O-N 3.26Å; T43-K46 WeakPolarHBondContact O-CB 3.4Å; T43-K46 PolarHBondContact O-N 3.29Å; T43-V160 HydrophobicContact CG2-CG1 4.04Å; T43-V160 HydrophobicContact CG2-CG2 4.08Å; T43-F208 HydrophobicContact CG2-CE1 3.58Å; T43-F208 HydrophobicContact CG2-CZ 3.53Å |
| 44 | L | 90.7 | Very high | 88.3 | Confident | 11 Ų | 11 | 63.6 Ų | 63.6 | 6% | 0.058 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.8 | -44.1 | 177.2 | -69.2 | 167.8 | 0 | 0 | 0 | 112.1 | V37 V40 E41 K46 L47 I52 V61 L156 V160 | V37-L44 HydrophobicContact CG2-CD1 4.08Å; V40-L44 HydrophobicContact CG1-CD1 4.26Å; V40-L44 HydrophobicContact CG1-CG 4.04Å; V40-L44 PolarHBondContact O-N 3.14Å; E41-L44 PolarHBondContact O-N 3.46Å; L44-K46 PolarHBondContact O-N 3.4Å; L44-K46 VanDerWaalsContact O-N 3.17Å; L44-L47 HydrophobicContact CD2-CD1 3.99Å; L44-L47 VanDerWaalsContact O-CB 3.25Å; L44-L47 WeakPolarHBondContact O-CB 3.3Å; L44-L47 PolarHBondContact O-N 3.39Å; L44-I52 WeakPolarHBondContact O-CG1 3.48Å; L44-V61 HydrophobicContact CD1-CB 4.3Å; L44-V61 HydrophobicContact CD1-CG1 4.1Å; L44-V61 HydrophobicContact CD1-CG2 4.12Å; L44-V61 HydrophobicContact CD2-CG2 4.3Å; L44-L156 HydrophobicContact CD2-CB 4.11Å; L44-V160 HydrophobicContact CD2-CG2 3.67Å; L44-V160 HydrophobicContact CG-CG2 4.24Å |
| 45 | K | 89.3 | Confident | 88.4 | Confident | 119 Ų | 119 | 69.3 Ų | 69.3 | 52% | 0.517 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -15.9 | 179.5 | -75.3 | 179.9 | -179.6 | 170.5 | 0 | 114 | E41 T43 | E41-K45 HydrophobicContact CG-CD 4.16Å; E41-K45 HydrophobicContact CG-CG 4.4Å; E41-K45 WeakPolarHBondContact O-CB 3.34Å; E41-K45 WeakPolarHBondContact O-CG 3.48Å; E41-K45 PolarHBondContact O-N 3.08Å; E41-K45 WeakPolarHBondContact OE1-CE 3.31Å; E41-K45 IonicContact OE1-NZ 2.8Å; E41-K45 PolarHBondContact OE1-NZ 3.2Å; T43-K45 VanDerWaalsContact C-N 3.33Å; T43-K45 PolarHBondContact O-N 3.26Å |
| 46 | K | 90.7 | Very high | 88.5 | Confident | 100 Ų | 100 | 71.4 Ų | 71.4 | 44% | 0.435 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -19.9 | 172.8 | -68.5 | 175.4 | -176.4 | -175.7 | 0 | 112.3 | P42 T43 L44 R48 F208 | P42-K46 WeakPolarHBondContact O-CG 3.29Å; T43-K46 WeakPolarHBondContact O-CB 3.4Å; T43-K46 PolarHBondContact O-N 3.29Å; L44-K46 PolarHBondContact O-N 3.4Å; L44-K46 VanDerWaalsContact O-N 3.17Å; K46-R48 PolarHBondContact O-N 3.23Å; K46-F208 HydrophobicContact CB-CB 4.13Å; K46-F208 HydrophobicContact CB-CD1 4.37Å; K46-F208 HydrophobicContact CB-CD2 3.54Å; K46-F208 HydrophobicContact CB-CE2 4.08Å; K46-F208 HydrophobicContact CB-CG 3.74Å; K46-F208 HydrophobicContact CD-CD2 3.49Å; K46-F208 VanDerWaalsContact CD-CD2 3.49Å; K46-F208 HydrophobicContact CD-CE2 3.43Å; K46-F208 VanDerWaalsContact CD-CE2 3.43Å; K46-F208 HydrophobicContact CD-CG 4.49Å; K46-F208 HydrophobicContact CD-CZ 4.38Å; K46-F208 HydrophobicContact CG-CD2 4.15Å; K46-F208 HydrophobicContact CG-CE2 4.44Å |
| 47 | L | 90.8 | Very high | 88.7 | Confident | 5 Ų | 5 | 71.3 Ų | 71.3 | 3% | 0.026 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -63.1 | 130.7 | 173.9 | -59.9 | 174.3 | 0 | 0 | 0 | 109.2 | L44 I49 I52 L156 I163 Y187 F208 | L44-L47 HydrophobicContact CD2-CD1 3.99Å; L44-L47 VanDerWaalsContact O-CB 3.25Å; L44-L47 WeakPolarHBondContact O-CB 3.3Å; L44-L47 PolarHBondContact O-N 3.39Å; L47-I49 VanDerWaalsContact C-N 3.27Å; L47-I49 HydrophobicContact CB-CD1 3.92Å; L47-I49 HydrophobicContact CB-CG1 4.4Å; L47-I49 HydrophobicContact CD1-CD1 4.29Å; L47-I49 PolarHBondContact O-N 3.47Å; L47-I52 HydrophobicContact CD1-CD1 4.36Å; L47-L156 HydrophobicContact CD1-CD2 4.11Å; L47-I163 HydrophobicContact CD2-CD1 3.67Å; L47-Y187 HydrophobicContact CD2-CE2 4.46Å; L47-F208 HydrophobicContact CD2-CD1 3.91Å; L47-F208 HydrophobicContact CD2-CE1 4.46Å |
| 48 | R | 88.8 | Confident | 88.8 | Confident | 97 Ų | 97 | 72.8 Ų | 72.8 | 37% | 0.366 | 37% | 0.368 | S | S | . | . | trans | -94.6 | 56.8 | -172.6 | -59.8 | 173.5 | 66.3 | 77.6 | 11.1 | 109.8 | K46 Y187 D188 | K46-R48 PolarHBondContact O-N 3.23Å; R48-Y187 HydrophobicContact CB-CE2 4.3Å; R48-D188 HydrophobicContact CB-CB 4.03Å; R48-D188 IonicContact CZ-OD1 3.08Å; R48-D188 IonicContact CZ-OD2 3.63Å; R48-D188 IonicContact NE-OD1 2.69Å; R48-D188 PolarHBondContact NE-OD1 2.65Å; R48-D188 IonicContact NE-OD2 2.85Å; R48-D188 PolarHBondContact NE-OD2 2.96Å; R48-D188 IonicContact NH2-OD1 2.69Å; R48-D188 PolarHBondContact NH2-OD1 3.1Å; R48-D188 IonicContact NH2-OD2 3.65Å; R48-D188 WeakPolarHBondContact O-CA 3.4Å; R48-D188 PolarHBondContact O-N 3.17Å | ||
| 49 | I | 90.3 | Very high | 88.9 | Confident | 14 Ų | 14 | 69.8 Ų | 69.8 | 7% | 0.072 | 36% | 0.358 | C | S | . | . | trans | -119.3 | 133.7 | -177.6 | -51.6 | 153.3 | 0 | 0 | 0 | 108.6 | L47 I52 M148 L151 L156 Y187 | L47-I49 VanDerWaalsContact C-N 3.27Å; L47-I49 HydrophobicContact CB-CD1 3.92Å; L47-I49 HydrophobicContact CB-CG1 4.4Å; L47-I49 HydrophobicContact CD1-CD1 4.29Å; L47-I49 PolarHBondContact O-N 3.47Å; I49-I52 WeakPolarHBondContact O-CB 3.35Å; I49-I52 WeakPolarHBondContact O-CG2 3.32Å; I49-I52 PolarHBondContact O-N 3.03Å; I49-M148 HydrophobicContact CD1-CB 3.67Å; I49-M148 HydrophobicContact CD1-CE 4.23Å; I49-M148 HydrophobicContact CD1-CG 4.35Å; I49-M148 HydrophobicContact CD1-SD 4.04Å; I49-M148 HydrophobicContact CG1-CB 4.46Å; I49-M148 HydrophobicContact CG1-CE 4.43Å; I49-L151 HydrophobicContact CG2-CD2 3.9Å; I49-L156 HydrophobicContact CD1-CD2 4.05Å; I49-Y187 HydrophobicContact CD1-CD2 4.4Å; I49-Y187 HydrophobicContact CD1-CE2 4.45Å; I49-Y187 HydrophobicContact CG1-CD2 3.7Å; I49-Y187 HydrophobicContact CG1-CE2 4Å | ||
| 50 | D | 87.2 | Confident | 89.2 | Confident | 136 Ų | 136 | 64.3 Ų | 64.3 | 73% | 0.727 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | 139.5 | 176.3 | -79.2 | -9.5 | 0 | 0 | 0 | 111.3 | I52 | D50-I52 VanDerWaalsContact C-N 3.32Å; D50-I52 PolarHBondContact O-N 3.46Å |
| 51 | G | 87.5 | Confident | 89.5 | Confident | 43 Ų | 43 | 63.5 Ų | 63.5 | 44% | 0.443 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | -2.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | N53 N54 | G51-N53 PolarHBondContact O-N 2.96Å; G51-N53 VanDerWaalsContact O-N 3.08Å; G51-N54 WeakPolarHBondContact O-CB 3.32Å; G51-N54 PolarHBondContact O-N 2.83Å |
| 52 | I | 88.5 | Confident | 89.8 | Confident | 22 Ų | 22 | 61 Ų | 61 | 11% | 0.113 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -29.3 | 179.3 | -164.4 | 67.1 | 0 | 0 | 0 | 113.8 | L44 L47 I49 D50 N54 V57 L151 L156 | L44-I52 WeakPolarHBondContact O-CG1 3.48Å; L47-I52 HydrophobicContact CD1-CD1 4.36Å; I49-I52 WeakPolarHBondContact O-CB 3.35Å; I49-I52 WeakPolarHBondContact O-CG2 3.32Å; I49-I52 PolarHBondContact O-N 3.03Å; D50-I52 VanDerWaalsContact C-N 3.32Å; D50-I52 PolarHBondContact O-N 3.46Å; I52-N54 PolarHBondContact O-N 3.45Å; I52-V57 HydrophobicContact CD1-CG1 4.1Å; I52-L151 HydrophobicContact CD1-CD2 4.39Å; I52-L156 HydrophobicContact CD1-CD1 3.83Å; I52-L156 HydrophobicContact CD1-CD2 3.91Å |
| 53 | N | 87 | Confident | 90 | Very high | 126 Ų | 126 | 60.5 Ų | 60.5 | 67% | 0.674 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -0.8 | 178.8 | -70.4 | -40.9 | 0 | 0 | 0 | 113.7 | G51 | G51-N53 PolarHBondContact O-N 2.96Å; G51-N53 VanDerWaalsContact O-N 3.08Å |
| 54 | N | 88.6 | Confident | 90.2 | Very high | 87 Ų | 87 | 59.6 Ų | 59.6 | 47% | 0.465 | 31% | 0.311 | S | S | . | . | trans | -70.6 | 140.4 | 178.5 | -166.6 | -6.1 | 0 | 0 | 0 | 111 | G51 I52 T56 V57 S58 | G51-N54 WeakPolarHBondContact O-CB 3.32Å; G51-N54 PolarHBondContact O-N 2.83Å; I52-N54 PolarHBondContact O-N 3.45Å; N54-T56 VanDerWaalsContact C-N 3.26Å; N54-T56 VanDerWaalsContact CG-OG1 3.26Å; N54-T56 PolarHBondContact ND2-OG1 3.16Å; N54-T56 PolarHBondContact O-N 3.34Å; N54-T56 PolarHBondContact OD1-OG1 3.42Å; N54-V57 HydrophobicContact CB-CG2 4.11Å; N54-V57 WeakPolarHBondContact O-CB 3.27Å; N54-V57 PolarHBondContact O-N 3.11Å; N54-S58 PolarHBondContact O-N 3.39Å | ||
| 55 | R | 87.7 | Confident | 90.3 | Very high | 203 Ų | 203 | 60 Ų | 60 | 77% | 0.766 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -63.2 | -33.6 | -177.1 | -68.4 | -178.2 | -179.5 | 171.5 | 1.5 | 112.3 | V57 S58 D59 | R55-V57 PolarHBondContact O-N 3.04Å; R55-S58 PolarHBondContact O-N 3.34Å; R55-D59 PolarHBondContact O-N 3.45Å |
| 56 | T | 90.1 | Very high | 90.5 | Very high | 90 Ų | 90 | 56.5 Ų | 56.5 | 55% | 0.552 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -60.3 | -36 | 177.7 | 51.1 | 0 | 0 | 0 | 0 | 112.2 | N54 D59 G60 | N54-T56 VanDerWaalsContact C-N 3.26Å; N54-T56 VanDerWaalsContact CG-OG1 3.26Å; N54-T56 PolarHBondContact ND2-OG1 3.16Å; N54-T56 PolarHBondContact O-N 3.34Å; N54-T56 PolarHBondContact OD1-OG1 3.42Å; T56-D59 WeakPolarHBondContact O-CB 3.48Å; T56-D59 PolarHBondContact O-N 3Å; T56-G60 PolarHBondContact O-N 2.88Å |
| 57 | V | 90.4 | Very high | 90.5 | Very high | 5 Ų | 5 | 53.8 Ų | 53.8 | 3% | 0.03 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.6 | -47.9 | 178.1 | -179.6 | 0 | 0 | 0 | 0 | 110.8 | I52 N54 R55 D59 G60 V61 L151 L156 | I52-V57 HydrophobicContact CD1-CG1 4.1Å; N54-V57 HydrophobicContact CB-CG2 4.11Å; N54-V57 WeakPolarHBondContact O-CB 3.27Å; N54-V57 PolarHBondContact O-N 3.11Å; R55-V57 PolarHBondContact O-N 3.04Å; V57-D59 PolarHBondContact O-N 3.25Å; V57-G60 PolarHBondContact O-N 3.29Å; V57-G60 VanDerWaalsContact O-N 3.15Å; V57-V61 PolarHBondContact O-N 3Å; V57-L151 HydrophobicContact CG2-CB 3.89Å; V57-L151 HydrophobicContact CG2-CD1 4.33Å; V57-L151 HydrophobicContact CG2-CD2 4.36Å; V57-L151 HydrophobicContact CG2-CG 4.44Å; V57-L156 HydrophobicContact CG1-CD1 3.12Å |
| 58 | S | 90.4 | Very high | 90.6 | Very high | 32 Ų | 32 | 53.9 Ų | 53.9 | 22% | 0.224 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58 | -37.8 | 173.6 | -176.1 | 0 | 0 | 0 | 0 | 112 | N54 R55 N62 | N54-S58 PolarHBondContact O-N 3.39Å; R55-S58 PolarHBondContact O-N 3.34Å; S58-N62 WeakPolarHBondContact O-CB 3.37Å; S58-N62 PolarHBondContact O-N 2.93Å |
| 59 | D | 90.9 | Very high | 90.8 | Very high | 67 Ų | 67 | 50.7 Ų | 50.7 | 36% | 0.358 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66.4 | -42.8 | 175 | -80.1 | -40.6 | 0 | 0 | 0 | 113.2 | K34 R55 T56 V57 N62 S63 | K34-D59 WeakPolarHBondContact CD-OD1 3.26Å; K34-D59 WeakPolarHBondContact CE-OD1 3.29Å; K34-D59 IonicContact NZ-OD1 2.74Å; K34-D59 PolarHBondContact NZ-OD1 2.84Å; K34-D59 IonicContact NZ-OD2 2.67Å; K34-D59 PolarHBondContact NZ-OD2 3.23Å; R55-D59 PolarHBondContact O-N 3.45Å; T56-D59 WeakPolarHBondContact O-CB 3.48Å; T56-D59 PolarHBondContact O-N 3Å; V57-D59 PolarHBondContact O-N 3.25Å; D59-N62 PolarHBondContact O-N 3.4Å; D59-S63 PolarHBondContact O-N 3.29Å |
| 60 | G | 92 | Very high | 90.9 | Very high | 18 Ų | 18 | 55.6 Ų | 55.6 | 19% | 0.186 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -55.7 | -56.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | T56 V57 N62 S63 V64 | T56-G60 PolarHBondContact O-N 2.88Å; V57-G60 PolarHBondContact O-N 3.29Å; V57-G60 VanDerWaalsContact O-N 3.15Å; G60-N62 VanDerWaalsContact C-N 3.32Å; G60-N62 PolarHBondContact O-N 3.48Å; G60-S63 WeakPolarHBondContact O-CB 3.33Å; G60-S63 PolarHBondContact O-N 3.32Å; G60-S63 VanDerWaalsContact O-N 3.1Å; G60-S63 PolarHBondContact O-OG 2.93Å; G60-V64 PolarHBondContact O-N 3.4Å |
| 61 | V | 93.4 | Very high | 91 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.9 | -40.2 | -178.6 | -179.8 | 0 | 0 | 0 | 0 | 111.2 | V37 L44 V57 S63 V64 L65 L156 | V37-V61 HydrophobicContact CG2-CB 4.15Å; V37-V61 HydrophobicContact CG2-CG1 4.13Å; L44-V61 HydrophobicContact CD1-CB 4.3Å; L44-V61 HydrophobicContact CD1-CG1 4.1Å; L44-V61 HydrophobicContact CD1-CG2 4.12Å; L44-V61 HydrophobicContact CD2-CG2 4.3Å; V57-V61 PolarHBondContact O-N 3Å; V61-S63 VanDerWaalsContact C-N 3.28Å; V61-S63 PolarHBondContact O-N 3.34Å; V61-V64 PolarHBondContact O-N 3.25Å; V61-L65 WeakPolarHBondContact O-CB 3.35Å; V61-L65 PolarHBondContact O-N 3.37Å; V61-L156 HydrophobicContact CG2-CB 3.78Å; V61-L156 HydrophobicContact CG2-CD1 4.11Å |
| 62 | N | 93.7 | Very high | 91.2 | Very high | 7 Ų | 7 | 52 Ų | 52 | 4% | 0.037 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.4 | -37.2 | 175.9 | -175 | 55.6 | 0 | 0 | 0 | 112.2 | V37 S58 D59 G60 V64 L65 R66 | V37-N62 HydrophobicContact CB-CB 3.86Å; V37-N62 HydrophobicContact CG1-CB 3.78Å; S58-N62 WeakPolarHBondContact O-CB 3.37Å; S58-N62 PolarHBondContact O-N 2.93Å; D59-N62 PolarHBondContact O-N 3.4Å; G60-N62 VanDerWaalsContact C-N 3.32Å; G60-N62 PolarHBondContact O-N 3.48Å; N62-V64 VanDerWaalsContact C-N 3.33Å; N62-V64 PolarHBondContact O-N 2.92Å; N62-L65 PolarHBondContact O-N 2.93Å; N62-R66 PolarHBondContact ND2-NE 3.03Å; N62-R66 WeakPolarHBondContact O-CB 3.23Å; N62-R66 VanDerWaalsContact O-CG 3.23Å; N62-R66 WeakPolarHBondContact O-CG 3.37Å; N62-R66 PolarHBondContact O-N 3.47Å |
| 63 | S | 92.6 | Very high | 91.4 | Very high | 66 Ų | 66 | 51.9 Ų | 51.9 | 46% | 0.462 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.5 | -39.4 | 177 | 82.8 | 0 | 0 | 0 | 0 | 112.2 | D59 G60 V61 T67 | D59-S63 PolarHBondContact O-N 3.29Å; G60-S63 WeakPolarHBondContact O-CB 3.33Å; G60-S63 PolarHBondContact O-N 3.32Å; G60-S63 VanDerWaalsContact O-N 3.1Å; G60-S63 PolarHBondContact O-OG 2.93Å; V61-S63 VanDerWaalsContact C-N 3.28Å; V61-S63 PolarHBondContact O-N 3.34Å; S63-T67 PolarHBondContact O-OG1 3.15Å |
| 64 | V | 94 | Very high | 91.7 | Very high | 4 Ų | 4 | 50.1 Ų | 50.1 | 2% | 0.024 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -69.6 | -49.5 | 176.9 | 174.6 | 0 | 0 | 0 | 0 | 110 | G60 V61 N62 R66 T67 F68 K141 A154 F157 | G60-V64 PolarHBondContact O-N 3.4Å; V61-V64 PolarHBondContact O-N 3.25Å; N62-V64 VanDerWaalsContact C-N 3.33Å; N62-V64 PolarHBondContact O-N 2.92Å; V64-R66 VanDerWaalsContact C-N 3.27Å; V64-R66 PolarHBondContact O-N 2.86Å; V64-T67 WeakPolarHBondContact O-CB 3.3Å; V64-T67 PolarHBondContact O-N 3.42Å; V64-T67 PolarHBondContact O-OG1 2.58Å; V64-F68 HydrophobicContact CG1-CE2 4.01Å; V64-F68 WeakPolarHBondContact O-CD2 3.45Å; V64-K141 HydrophobicContact CG1-CB 4.03Å; V64-K141 HydrophobicContact CG1-CD 4.27Å; V64-K141 HydrophobicContact CG1-CG 4Å; V64-K141 HydrophobicContact CG2-CD 4.49Å; V64-A154 HydrophobicContact CG2-CB 4.18Å; V64-F157 HydrophobicContact CB-CB 4.37Å; V64-F157 HydrophobicContact CG1-CB 3.81Å; V64-F157 HydrophobicContact CG1-CD1 3.54Å; V64-F157 HydrophobicContact CG1-CD2 4.42Å; V64-F157 HydrophobicContact CG1-CE1 4.22Å; V64-F157 HydrophobicContact CG1-CG 3.65Å |
| 65 | L | 93.4 | Very high | 91.9 | Very high | 20 Ų | 20 | 48.8 Ų | 48.8 | 11% | 0.105 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.3 | -34.7 | -178 | -166.2 | 57.8 | 0 | 0 | 0 | 112.6 | P36 V40 V61 N62 T67 F68 T69 F157 | P36-L65 HydrophobicContact CB-CB 4.26Å; P36-L65 HydrophobicContact CB-CD2 3.43Å; P36-L65 VanDerWaalsContact CB-CD2 3.43Å; P36-L65 HydrophobicContact CB-CG 3.67Å; P36-L65 WeakPolarHBondContact O-CD2 3.43Å; V40-L65 HydrophobicContact CG2-CD2 4.01Å; V61-L65 WeakPolarHBondContact O-CB 3.35Å; V61-L65 PolarHBondContact O-N 3.37Å; N62-L65 PolarHBondContact O-N 2.93Å; L65-T67 PolarHBondContact O-N 3.24Å; L65-F68 PolarHBondContact O-N 3.25Å; L65-T69 HydrophobicContact CG-CG2 4.32Å; L65-T69 PolarHBondContact O-N 2.95Å; L65-T69 PolarHBondContact O-OG1 3.38Å; L65-F157 HydrophobicContact CD1-CD2 4.39Å; L65-F157 HydrophobicContact CD1-CE2 3.74Å; L65-F157 HydrophobicContact CD1-CZ 4.49Å |
| 66 | R | 92.2 | Very high | 92.2 | Very high | 45 Ų | 45 | 41 Ų | 41 | 17% | 0.17 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.2 | -27 | 171.6 | -81.8 | 175.5 | 174 | -162.4 | -0.9 | 113.7 | F31 W32 T33 N62 V64 F68 T69 R70 | F31-R66 PolarHBondContact O-NH2 3.43Å; W32-R66 PolarHBondContact O-NH2 3.49Å; T33-R66 VanDerWaalsContact C-NH2 3.31Å; T33-R66 PolarHBondContact O-NH2 3.2Å; N62-R66 PolarHBondContact ND2-NE 3.03Å; N62-R66 WeakPolarHBondContact O-CB 3.23Å; N62-R66 VanDerWaalsContact O-CG 3.23Å; N62-R66 WeakPolarHBondContact O-CG 3.37Å; N62-R66 PolarHBondContact O-N 3.47Å; V64-R66 VanDerWaalsContact C-N 3.27Å; V64-R66 PolarHBondContact O-N 2.86Å; R66-F68 PolarHBondContact O-N 2.9Å; R66-T69 WeakPolarHBondContact CA-OG1 3.35Å; R66-R70 HydrophobicContact CB-CG 4.4Å; R66-R70 WeakPolarHBondContact O-CB 3.34Å; R66-R70 WeakPolarHBondContact O-CD 3.29Å; R66-R70 WeakPolarHBondContact O-CG 3.35Å; R66-R70 PolarHBondContact O-N 3.38Å |
| 67 | T | 92.2 | Very high | 92.4 | Very high | 42 Ų | 42 | 38.5 Ų | 38.5 | 26% | 0.258 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.7 | -32.5 | 176.1 | -54 | 0 | 0 | 0 | 0 | 111.3 | S63 V64 L65 P71 L137 K141 | S63-T67 PolarHBondContact O-OG1 3.15Å; V64-T67 WeakPolarHBondContact O-CB 3.3Å; V64-T67 PolarHBondContact O-N 3.42Å; V64-T67 PolarHBondContact O-OG1 2.58Å; L65-T67 PolarHBondContact O-N 3.24Å; T67-P71 WeakPolarHBondContact O-CD 3.34Å; T67-L137 HydrophobicContact CG2-CD2 4.25Å; T67-K141 VanDerWaalsContact OG1-CE 3.23Å; T67-K141 WeakPolarHBondContact OG1-CE 3.45Å |
| 68 | F | 92.3 | Very high | 92.6 | Very high | 7 Ų | 7 | 40.6 Ų | 40.6 | 3% | 0.031 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -90.3 | -36.5 | 179.4 | -56.9 | -87.7 | 0 | 0 | 0 | 112.6 | V64 L65 R66 L137 F138 K141 F157 F237 | V64-F68 HydrophobicContact CG1-CE2 4.01Å; V64-F68 WeakPolarHBondContact O-CD2 3.45Å; L65-F68 PolarHBondContact O-N 3.25Å; R66-F68 PolarHBondContact O-N 2.9Å; F68-L137 HydrophobicContact CD1-CB 3.86Å; F68-L137 HydrophobicContact CE1-CB 3.67Å; F68-F138 HydrophobicContact CE1-CB 3.99Å; F68-F138 HydrophobicContact CZ-CB 4.35Å; F68-F138 HydrophobicContact CZ-CD2 4.32Å; F68-K141 HydrophobicContact CE2-CG 4.23Å; F68-K141 HydrophobicContact CZ-CB 4.33Å; F68-K141 HydrophobicContact CZ-CG 4.23Å; F68-F157 HydrophobicContact CD2-CE1 4.29Å; F68-F157 HydrophobicContact CD2-CZ 4.03Å; F68-F157 HydrophobicContact CE2-CD1 4.22Å; F68-F157 AromaticContact CE2-CE1 3.44Å; F68-F157 HydrophobicContact CE2-CE1 3.44Å; F68-F157 VanDerWaalsContact CE2-CE1 3.44Å; F68-F157 AromaticContact CE2-CZ 3.63Å; F68-F157 HydrophobicContact CE2-CZ 3.63Å; F68-F157 AromaticContact CZ-CE1 3.63Å; F68-F157 HydrophobicContact CZ-CE1 3.63Å; F68-F157 HydrophobicContact CZ-CZ 4.02Å; F68-F237 AromaticContact CD1-CE1 3.94Å; F68-F237 HydrophobicContact CD1-CE1 3.94Å; F68-F237 AromaticContact CD1-CZ 3.72Å; F68-F237 HydrophobicContact CD1-CZ 3.72Å; F68-F237 AromaticContact CE1-CE1 3.7Å; F68-F237 HydrophobicContact CE1-CE1 3.7Å; F68-F237 AromaticContact CE1-CZ 3.59Å; F68-F237 HydrophobicContact CE1-CZ 3.59Å; F68-F237 HydrophobicContact CG-CZ 4.42Å; F68-F237 HydrophobicContact CZ-CZ 4.23Å |
| 69 | T | 92.4 | Very high | 92.7 | Very high | 30 Ų | 30 | 42.9 Ų | 42.9 | 18% | 0.184 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -83.1 | -31.9 | -175.2 | 60.7 | 0 | 0 | 0 | 0 | 113.3 | P36 L65 R66 I72 I73 | P36-T69 HydrophobicContact CB-CG2 4.18Å; P36-T69 HydrophobicContact CG-CG2 4.36Å; L65-T69 HydrophobicContact CG-CG2 4.32Å; L65-T69 PolarHBondContact O-N 2.95Å; L65-T69 PolarHBondContact O-OG1 3.38Å; R66-T69 WeakPolarHBondContact CA-OG1 3.35Å; T69-I72 PolarHBondContact O-N 2.98Å; T69-I73 WeakPolarHBondContact O-CG1 3.33Å; T69-I73 PolarHBondContact O-N 3.33Å |
| 70 | R | 91.7 | Very high | 92.9 | Very high | 118 Ų | 118 | 40.1 Ų | 40.1 | 45% | 0.445 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -57.3 | -45.6 | -178.7 | -79.8 | 174.7 | 169.8 | -176.4 | -3.4 | 114.3 | F31 R66 I72 L74 | F31-R70 HydrophobicContact CD2-CG 4.43Å; F31-R70 HydrophobicContact CE2-CG 4.01Å; R66-R70 HydrophobicContact CB-CG 4.4Å; R66-R70 WeakPolarHBondContact O-CB 3.34Å; R66-R70 WeakPolarHBondContact O-CD 3.29Å; R66-R70 WeakPolarHBondContact O-CG 3.35Å; R66-R70 PolarHBondContact O-N 3.38Å; R70-I72 PolarHBondContact O-N 3.47Å; R70-I72 VanDerWaalsContact O-N 3.12Å; R70-L74 WeakPolarHBondContact O-CB 3.49Å; R70-L74 PolarHBondContact O-N 2.87Å; R70-L74 VanDerWaalsContact O-N 3.11Å |
| 71 | P | 90.3 | Very high | 93.1 | Very high | 61 Ų | 61 | 43 Ų | 43 | 40% | 0.396 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.4 | -21.2 | 176.7 | -24.2 | 34.6 | 0 | 0 | 0 | 114.1 | T67 P75 L137 | T67-P71 WeakPolarHBondContact O-CD 3.34Å; P71-P75 WeakPolarHBondContact O-CD 3.2Å; P71-P75 VanDerWaalsContact O-CG 3.29Å; P71-P75 WeakPolarHBondContact O-CG 3.45Å; P71-L137 HydrophobicContact CG-CD1 4.36Å |
| 72 | I | 91.7 | Very high | 93.2 | Very high | 42 Ų | 42 | 46.8 Ų | 46.8 | 22% | 0.215 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -96.2 | -50.5 | -179.8 | -58.2 | 167.8 | 0 | 0 | 0 | 110.7 | T69 R70 L74 P75 L76 M134 I245 I248 | T69-I72 PolarHBondContact O-N 2.98Å; R70-I72 PolarHBondContact O-N 3.47Å; R70-I72 VanDerWaalsContact O-N 3.12Å; I72-L74 PolarHBondContact O-N 3.26Å; I72-P75 WeakPolarHBondContact O-CD 3.39Å; I72-L76 HydrophobicContact CG2-CD1 3.84Å; I72-L76 VanDerWaalsContact O-CG 3.31Å; I72-L76 WeakPolarHBondContact O-CG 3.25Å; I72-L76 PolarHBondContact O-N 3.37Å; I72-M134 HydrophobicContact CD1-CE 3.78Å; I72-I245 HydrophobicContact CD1-CD1 3.88Å; I72-I245 HydrophobicContact CD1-CG1 3.89Å; I72-I245 HydrophobicContact CG1-CD1 4.4Å; I72-I248 HydrophobicContact CG2-CD1 4.41Å |
| 73 | I | 92.9 | Very high | 93.3 | Very high | 20 Ų | 20 | 47.1 Ų | 47.1 | 10% | 0.103 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.2 | -38.8 | -174.7 | -66.6 | 173 | 0 | 0 | 0 | 111.3 | F27 A30 F31 T69 L76 M77 | F27-I73 HydrophobicContact CB-CG2 4.22Å; F27-I73 HydrophobicContact CD1-CG2 4.42Å; A30-I73 HydrophobicContact CB-CD1 3.99Å; F31-I73 HydrophobicContact CB-CG2 3.97Å; F31-I73 HydrophobicContact CD2-CG2 4.25Å; T69-I73 WeakPolarHBondContact O-CG1 3.33Å; T69-I73 PolarHBondContact O-N 3.33Å; I73-L76 PolarHBondContact O-N 3.29Å; I73-M77 VanDerWaalsContact O-CB 3.3Å; I73-M77 WeakPolarHBondContact O-CB 3.49Å; I73-M77 PolarHBondContact O-N 3.19Å |
| 74 | L | 93.1 | Very high | 93.4 | Very high | 89 Ų | 89 | 44.1 Ų | 44.1 | 47% | 0.466 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65.5 | -48.3 | -175.8 | -177.8 | 152.3 | 0 | 0 | 0 | 112.5 | F31 R70 I72 L76 M77 A78 | F31-L74 HydrophobicContact CE2-CB 4.28Å; F31-L74 HydrophobicContact CE2-CD1 4.14Å; F31-L74 HydrophobicContact CZ-CD1 4.44Å; R70-L74 WeakPolarHBondContact O-CB 3.49Å; R70-L74 PolarHBondContact O-N 2.87Å; R70-L74 VanDerWaalsContact O-N 3.11Å; I72-L74 PolarHBondContact O-N 3.26Å; L74-L76 PolarHBondContact O-N 2.86Å; L74-M77 PolarHBondContact O-N 2.81Å; L74-A78 PolarHBondContact O-N 3.1Å |
| 75 | P | 92.5 | Very high | 93.5 | Very high | 59 Ų | 59 | 47.5 Ų | 47.5 | 38% | 0.383 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.8 | -42.1 | 171.2 | -27.5 | 35.9 | 0 | 0 | 0 | 113.4 | P71 I72 M77 A78 I79 | P71-P75 WeakPolarHBondContact O-CD 3.2Å; P71-P75 VanDerWaalsContact O-CG 3.29Å; P71-P75 WeakPolarHBondContact O-CG 3.45Å; I72-P75 WeakPolarHBondContact O-CD 3.39Å; P75-M77 PolarHBondContact O-N 3.47Å; P75-A78 PolarHBondContact O-N 3.35Å; P75-I79 WeakPolarHBondContact O-CB 3.47Å; P75-I79 VanDerWaalsContact O-CG1 3.23Å; P75-I79 WeakPolarHBondContact O-CG1 3.38Å; P75-I79 PolarHBondContact O-N 3.27Å |
| 76 | L | 93.8 | Very high | 93.7 | Very high | 39 Ų | 39 | 47.4 Ų | 47.4 | 20% | 0.204 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62 | -43.1 | 178.4 | -70.5 | 175.5 | 0 | 0 | 0 | 111.9 | F27 I72 I73 L74 A78 I79 S80 I248 | F27-L76 HydrophobicContact CD1-CB 4.31Å; F27-L76 HydrophobicContact CD2-CB 4.17Å; F27-L76 HydrophobicContact CE1-CB 4.05Å; F27-L76 HydrophobicContact CE1-CD1 3.86Å; F27-L76 HydrophobicContact CE2-CB 3.91Å; F27-L76 HydrophobicContact CG-CB 4.39Å; F27-L76 HydrophobicContact CZ-CB 3.85Å; F27-L76 HydrophobicContact CZ-CD1 3.97Å; F27-L76 HydrophobicContact CZ-CG 4.41Å; I72-L76 HydrophobicContact CG2-CD1 3.84Å; I72-L76 VanDerWaalsContact O-CG 3.31Å; I72-L76 WeakPolarHBondContact O-CG 3.25Å; I72-L76 PolarHBondContact O-N 3.37Å; I73-L76 PolarHBondContact O-N 3.29Å; L74-L76 PolarHBondContact O-N 2.86Å; L76-A78 PolarHBondContact O-N 3.25Å; L76-I79 PolarHBondContact O-N 2.98Å; L76-S80 WeakPolarHBondContact O-CB 2.99Å; L76-S80 PolarHBondContact O-N 2.88Å; L76-S80 PolarHBondContact O-OG 2.97Å; L76-I248 HydrophobicContact CD1-CG2 4.32Å; L76-I248 HydrophobicContact CD2-CG2 4.32Å |
| 77 | M | 94.8 | Very high | 93.9 | Very high | 38 Ų | 38 | 45.2 Ų | 45.2 | 19% | 0.187 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.5 | -46.4 | 174.4 | -176.5 | -179 | 68.8 | 0 | 0 | 111.4 | F24 F27 V28 I73 L74 P75 L81 | F24-M77 HydrophobicContact CD2-CG 3.88Å; F24-M77 WeakPolarHBondContact CD2-O 3.35Å; F24-M77 HydrophobicContact CE2-CG 3.62Å; F27-M77 HydrophobicContact CB-CB 3.91Å; F27-M77 HydrophobicContact CB-CG 4.32Å; V28-M77 HydrophobicContact CG2-CG 4.16Å; V28-M77 HydrophobicContact CG2-SD 3.77Å; I73-M77 VanDerWaalsContact O-CB 3.3Å; I73-M77 WeakPolarHBondContact O-CB 3.49Å; I73-M77 PolarHBondContact O-N 3.19Å; L74-M77 PolarHBondContact O-N 2.81Å; P75-M77 PolarHBondContact O-N 3.47Å; M77-L81 PolarHBondContact O-N 3.21Å; M77-L81 VanDerWaalsContact O-N 3.14Å |
| 78 | A | 94.2 | Very high | 94.1 | Very high | 48 Ų | 48 | 47.2 Ų | 47.2 | 40% | 0.397 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.3 | -45.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L74 P75 L76 L81 V82 | L74-A78 PolarHBondContact O-N 3.1Å; P75-A78 PolarHBondContact O-N 3.35Å; L76-A78 PolarHBondContact O-N 3.25Å; A78-L81 PolarHBondContact O-N 3.39Å; A78-V82 WeakPolarHBondContact O-CG2 3.39Å; A78-V82 PolarHBondContact O-N 3.01Å |
| 79 | I | 93 | Very high | 94.3 | Very high | 80 Ų | 80 | 50.7 Ų | 50.7 | 41% | 0.41 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.3 | -47.9 | 177.7 | -70.1 | 167.1 | 0 | 0 | 0 | 110.3 | P75 L76 L81 V82 F83 | P75-I79 WeakPolarHBondContact O-CB 3.47Å; P75-I79 VanDerWaalsContact O-CG1 3.23Å; P75-I79 WeakPolarHBondContact O-CG1 3.38Å; P75-I79 PolarHBondContact O-N 3.27Å; L76-I79 PolarHBondContact O-N 2.98Å; I79-L81 VanDerWaalsContact C-N 3.29Å; I79-L81 PolarHBondContact O-N 3.28Å; I79-V82 PolarHBondContact O-N 2.94Å; I79-F83 HydrophobicContact CG2-CD2 3.66Å; I79-F83 HydrophobicContact CG2-CE2 3.79Å; I79-F83 WeakPolarHBondContact O-CD2 3.42Å; I79-F83 PolarHBondContact O-N 2.89Å |
| 80 | S | 94.6 | Very high | 94.5 | Very high | 9 Ų | 9 | 49.2 Ų | 49.2 | 6% | 0.063 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.3 | -41.1 | 178.3 | -63.2 | 0 | 0 | 0 | 0 | 112.4 | F27 L76 A84 | F27-S80 WeakPolarHBondContact CE2-OG 3.28Å; L76-S80 WeakPolarHBondContact O-CB 2.99Å; L76-S80 PolarHBondContact O-N 2.88Å; L76-S80 PolarHBondContact O-OG 2.97Å; S80-A84 VanDerWaalsContact O-CB 3.25Å; S80-A84 WeakPolarHBondContact O-CB 3.4Å; S80-A84 PolarHBondContact O-N 2.93Å |
| 81 | L | 95.8 | Very high | 94.6 | Very high | 79 Ų | 79 | 43.8 Ų | 43.8 | 41% | 0.414 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -66.7 | -46.2 | 177.4 | -176.8 | 61.1 | 0 | 0 | 0 | 112.1 | F24 M77 A78 I79 F83 A84 C85 | F24-L81 HydrophobicContact CD2-CB 3.86Å; F24-L81 HydrophobicContact CE2-CB 3.81Å; F24-L81 HydrophobicContact CE2-CD1 4.25Å; F24-L81 HydrophobicContact CE2-CD2 4.15Å; F24-L81 HydrophobicContact CE2-CG 4.29Å; F24-L81 HydrophobicContact CZ-CD1 4.28Å; F24-L81 HydrophobicContact CZ-CD2 4.38Å; M77-L81 PolarHBondContact O-N 3.21Å; M77-L81 VanDerWaalsContact O-N 3.14Å; A78-L81 PolarHBondContact O-N 3.39Å; I79-L81 VanDerWaalsContact C-N 3.29Å; I79-L81 PolarHBondContact O-N 3.28Å; L81-F83 PolarHBondContact O-N 3.4Å; L81-A84 WeakPolarHBondContact O-CB 3.45Å; L81-A84 PolarHBondContact O-N 3.14Å; L81-C85 PolarHBondContact O-N 3.25Å; L81-C85 PolarHBondContact O-SG 3.48Å; L81-C85 VanDerWaalsContact O-SG 3.39Å |
| 82 | V | 95.4 | Very high | 94.8 | Very high | 80 Ų | 80 | 46 Ų | 46 | 49% | 0.485 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.1 | -49.1 | 179.1 | 169.8 | 0 | 0 | 0 | 0 | 110.6 | A78 I79 A84 C85 I86 | A78-V82 WeakPolarHBondContact O-CG2 3.39Å; A78-V82 PolarHBondContact O-N 3.01Å; I79-V82 PolarHBondContact O-N 2.94Å; V82-A84 VanDerWaalsContact C-N 3.35Å; V82-A84 PolarHBondContact O-N 2.89Å; V82-C85 WeakPolarHBondContact O-CB 3.39Å; V82-C85 PolarHBondContact O-N 3.05Å; V82-I86 HydrophobicContact CG1-CD1 4.1Å; V82-I86 WeakPolarHBondContact O-CG1 3.4Å; V82-I86 PolarHBondContact O-N 3.25Å |
| 83 | F | 95.6 | Very high | 95 | Very high | 13 Ų | 13 | 44.2 Ų | 44.2 | 6% | 0.057 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.9 | -32.9 | 177.8 | -82.9 | -86.9 | 0 | 0 | 0 | 112.7 | L20 I79 L81 C85 I86 Y87 C112 L255 N259 | L20-F83 HydrophobicContact CD1-CB 3.18Å; L20-F83 HydrophobicContact CD1-CG 4.28Å; I79-F83 HydrophobicContact CG2-CD2 3.66Å; I79-F83 HydrophobicContact CG2-CE2 3.79Å; I79-F83 WeakPolarHBondContact O-CD2 3.42Å; I79-F83 PolarHBondContact O-N 2.89Å; L81-F83 PolarHBondContact O-N 3.4Å; F83-C85 VanDerWaalsContact C-N 3.35Å; F83-I86 PolarHBondContact O-N 3.44Å; F83-Y87 HydrophobicContact CB-CE2 4.32Å; F83-Y87 VanDerWaalsContact O-CD2 3.3Å; F83-Y87 WeakPolarHBondContact O-CD2 3.19Å; F83-Y87 PolarHBondContact O-N 3.47Å; F83-C112 HydrophobicContact CE1-CB 3.98Å; F83-C112 HydrophobicContact CZ-CB 3.84Å; F83-L255 HydrophobicContact CE2-CD2 4.44Å; F83-L255 HydrophobicContact CZ-CD2 4.42Å; F83-N259 VanDerWaalsContact CE1-ND2 3.33Å; F83-N259 WeakPolarHBondContact CE1-ND2 3.44Å |
| 84 | A | 96.3 | Very high | 94.8 | Very high | 4 Ų | 4 | 43.3 Ų | 43.3 | 3% | 0.033 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.6 | -42.6 | 172 | 0 | 0 | 0 | 0 | 0 | 111.5 | L17 L20 L21 S80 L81 V82 I86 Y87 L88 | L17-A84 HydrophobicContact CD1-CB 4.08Å; L17-A84 VanDerWaalsContact CD1-O 3.29Å; L17-A84 WeakPolarHBondContact CD1-O 3.3Å; L20-A84 HydrophobicContact CB-CB 4.29Å; L21-A84 HydrophobicContact CD2-CB 4.14Å; L21-A84 HydrophobicContact CG-CB 4.47Å; S80-A84 VanDerWaalsContact O-CB 3.25Å; S80-A84 WeakPolarHBondContact O-CB 3.4Å; S80-A84 PolarHBondContact O-N 2.93Å; L81-A84 WeakPolarHBondContact O-CB 3.45Å; L81-A84 PolarHBondContact O-N 3.14Å; V82-A84 VanDerWaalsContact C-N 3.35Å; V82-A84 PolarHBondContact O-N 2.89Å; A84-I86 VanDerWaalsContact C-N 3.33Å; A84-I86 PolarHBondContact O-N 3.32Å; A84-Y87 PolarHBondContact O-N 2.84Å; A84-L88 WeakPolarHBondContact O-CB 3.45Å; A84-L88 PolarHBondContact O-N 3.41Å |
| 85 | C | 96.4 | Very high | 94.6 | Very high | 74 Ų | 74 | 45.2 Ų | 45.2 | 50% | 0.5 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.7 | -41.1 | 173.6 | -67.8 | 0 | 0 | 0 | 0 | 112 | L81 V82 F83 L88 F89 | L81-C85 PolarHBondContact O-N 3.25Å; L81-C85 PolarHBondContact O-SG 3.48Å; L81-C85 VanDerWaalsContact O-SG 3.39Å; V82-C85 WeakPolarHBondContact O-CB 3.39Å; V82-C85 PolarHBondContact O-N 3.05Å; F83-C85 VanDerWaalsContact C-N 3.35Å; C85-L88 PolarHBondContact O-N 3.24Å; C85-F89 WeakPolarHBondContact O-CB 3.28Å; C85-F89 PolarHBondContact O-N 3.05Å |
| 86 | I | 96.6 | Very high | 94.4 | Very high | 18 Ų | 18 | 46 Ų | 46 | 9% | 0.092 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.4 | -51.4 | 176.1 | -66.9 | 167.3 | 0 | 0 | 0 | 110.1 | V82 F83 A84 L88 F89 G90 Y105 T108 L109 | V82-I86 HydrophobicContact CG1-CD1 4.1Å; V82-I86 WeakPolarHBondContact O-CG1 3.4Å; V82-I86 PolarHBondContact O-N 3.25Å; F83-I86 PolarHBondContact O-N 3.44Å; A84-I86 VanDerWaalsContact C-N 3.33Å; A84-I86 PolarHBondContact O-N 3.32Å; I86-L88 VanDerWaalsContact C-N 3.32Å; I86-L88 PolarHBondContact O-N 2.79Å; I86-F89 CarbonylContact O-C 3.5Å; I86-F89 WeakPolarHBondContact O-CA 3.29Å; I86-F89 WeakPolarHBondContact O-CB 3.43Å; I86-F89 PolarHBondContact O-N 3.44Å; I86-F89 VanDerWaalsContact O-N 3.11Å; I86-G90 PolarHBondContact O-N 3.44Å; I86-Y105 HydrophobicContact CG2-CD2 4.3Å; I86-Y105 HydrophobicContact CG2-CE2 3.63Å; I86-Y105 WeakPolarHBondContact O-CE2 3.39Å; I86-T108 HydrophobicContact CD1-CG2 4.03Å; I86-T108 HydrophobicContact CG1-CG2 4.25Å; I86-L109 HydrophobicContact CG2-CD2 3.7Å; I86-L109 HydrophobicContact CG2-CG 4.3Å |
| 87 | Y | 96.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.9 | -30.6 | -179.5 | -61.7 | -37.7 | 0 | 0 | 0 | 113.6 | C16 L20 F83 A84 G90 A91 L109 L255 N259 L262 | C16-Y87 HydrophobicContact CB-CD1 4.26Å; C16-Y87 HydrophobicContact CB-CD2 3.42Å; C16-Y87 VanDerWaalsContact CB-CD2 3.42Å; C16-Y87 HydrophobicContact CB-CE1 4.31Å; C16-Y87 HydrophobicContact CB-CE2 3.43Å; C16-Y87 VanDerWaalsContact CB-CE2 3.43Å; C16-Y87 HydrophobicContact CB-CG 3.86Å; L20-Y87 HydrophobicContact CD1-CD2 3.62Å; L20-Y87 HydrophobicContact CD1-CE2 3.3Å; L20-Y87 HydrophobicContact CG-CD2 4.4Å; L20-Y87 HydrophobicContact CG-CE2 4.11Å; F83-Y87 HydrophobicContact CB-CE2 4.32Å; F83-Y87 VanDerWaalsContact O-CD2 3.3Å; F83-Y87 WeakPolarHBondContact O-CD2 3.19Å; F83-Y87 PolarHBondContact O-N 3.47Å; A84-Y87 PolarHBondContact O-N 2.84Å; Y87-G90 PolarHBondContact O-N 3.48Å; Y87-A91 WeakPolarHBondContact O-CB 3.3Å; Y87-A91 PolarHBondContact O-N 3.06Å; Y87-L109 HydrophobicContact CE1-CD2 4.33Å; Y87-L255 HydrophobicContact CE2-CD1 4.47Å; Y87-L255 VanDerWaalsContact OH-CD1 3.28Å; Y87-L255 WeakPolarHBondContact OH-CD1 3.44Å; Y87-N259 PolarHBondContact OH-OD1 3.17Å; Y87-L262 HydrophobicContact CD1-CD1 3.89Å; Y87-L262 HydrophobicContact CE1-CD1 3.37Å |
| 88 | L | 96.6 | Very high | 93.7 | Very high | 84 Ų | 84 | 51.6 Ų | 51.6 | 44% | 0.44 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.2 | -47 | 169.5 | 178.6 | 62.2 | 0 | 0 | 0 | 110.6 | L17 A84 C85 I86 G90 A91 L92 | L17-L88 HydrophobicContact CD1-CB 4.13Å; L17-L88 HydrophobicContact CD2-CB 4.33Å; L17-L88 HydrophobicContact CD2-CD1 4.03Å; A84-L88 WeakPolarHBondContact O-CB 3.45Å; A84-L88 PolarHBondContact O-N 3.41Å; C85-L88 PolarHBondContact O-N 3.24Å; I86-L88 VanDerWaalsContact C-N 3.32Å; I86-L88 PolarHBondContact O-N 2.79Å; L88-G90 VanDerWaalsContact C-N 3.32Å; L88-G90 PolarHBondContact O-N 2.96Å; L88-A91 PolarHBondContact O-N 3.48Å; L88-L92 HydrophobicContact CD1-CD1 4.41Å; L88-L92 HydrophobicContact CD1-CG 4.47Å; L88-L92 HydrophobicContact CG-CD1 4.27Å; L88-L92 VanDerWaalsContact O-CG 3.31Å; L88-L92 WeakPolarHBondContact O-CG 3.4Å; L88-L92 PolarHBondContact O-N 2.86Å |
| 89 | F | 96.3 | Very high | 93.5 | Very high | 79 Ų | 79 | 50.5 Ų | 50.5 | 35% | 0.346 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.3 | -45.3 | 173.8 | 178.3 | -122.5 | 0 | 0 | 0 | 111 | C85 I86 A91 L92 I93 L101 Y105 | C85-F89 WeakPolarHBondContact O-CB 3.28Å; C85-F89 PolarHBondContact O-N 3.05Å; I86-F89 CarbonylContact O-C 3.5Å; I86-F89 WeakPolarHBondContact O-CA 3.29Å; I86-F89 WeakPolarHBondContact O-CB 3.43Å; I86-F89 PolarHBondContact O-N 3.44Å; I86-F89 VanDerWaalsContact O-N 3.11Å; F89-A91 PolarHBondContact O-N 2.94Å; F89-L92 PolarHBondContact O-N 2.9Å; F89-L92 VanDerWaalsContact O-N 3.16Å; F89-I93 HydrophobicContact CD2-CG2 3.83Å; F89-I93 HydrophobicContact CE1-CG2 4.16Å; F89-I93 HydrophobicContact CE2-CG2 3.42Å; F89-I93 VanDerWaalsContact CE2-CG2 3.42Å; F89-I93 HydrophobicContact CG-CG2 4.36Å; F89-I93 HydrophobicContact CZ-CG2 3.59Å; F89-I93 WeakPolarHBondContact O-CG2 3.47Å; F89-I93 PolarHBondContact O-N 3.24Å; F89-L101 HydrophobicContact CE2-CD2 4.37Å; F89-L101 HydrophobicContact CZ-CD2 4.14Å; F89-Y105 AromaticContact CD1-CD2 3.78Å; F89-Y105 HydrophobicContact CD1-CD2 3.78Å; F89-Y105 HydrophobicContact CE1-CD2 4.23Å |
| 90 | G | 95.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -55.2 | -45.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | F9 I86 Y87 L88 L92 I93 A94 Y105 | F9-G90 WeakPolarHBondContact CE1-O 3.49Å; I86-G90 PolarHBondContact O-N 3.44Å; Y87-G90 PolarHBondContact O-N 3.48Å; L88-G90 VanDerWaalsContact C-N 3.32Å; L88-G90 PolarHBondContact O-N 2.96Å; G90-L92 VanDerWaalsContact C-N 3.34Å; G90-L92 PolarHBondContact O-N 3.1Å; G90-I93 WeakPolarHBondContact O-CG1 3.5Å; G90-A94 PolarHBondContact O-N 3.18Å; G90-Y105 VanDerWaalsContact CA-CE2 3.46Å |
| 91 | A | 95.2 | Very high | 93.5 | Very high | 4 Ų | 4 | 53.4 Ų | 53.4 | 3% | 0.033 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64 | -38 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | H10 N13 L14 Y87 L88 F89 A94 | H10-A91 PolarHBondContact CE1-O 3.3Å; H10-A91 PolarHBondContact ND1-O 3.44Å; N13-A91 HydrophobicContact CB-CB 4.08Å; L14-A91 HydrophobicContact CD2-CB 3.99Å; L14-A91 HydrophobicContact CG-CB 4.38Å; Y87-A91 WeakPolarHBondContact O-CB 3.3Å; Y87-A91 PolarHBondContact O-N 3.06Å; L88-A91 PolarHBondContact O-N 3.48Å; F89-A91 PolarHBondContact O-N 2.94Å; A91-A94 WeakPolarHBondContact O-CB 3.46Å |
| 92 | L | 94.6 | Very high | 93.4 | Very high | 108 Ų | 108 | 49.6 Ų | 49.6 | 57% | 0.565 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -74.1 | -43.5 | -179.8 | -67.5 | 173.5 | 0 | 0 | 0 | 112.7 | L88 F89 G90 A94 F95 | L88-L92 HydrophobicContact CD1-CD1 4.41Å; L88-L92 HydrophobicContact CD1-CG 4.47Å; L88-L92 HydrophobicContact CG-CD1 4.27Å; L88-L92 VanDerWaalsContact O-CG 3.31Å; L88-L92 WeakPolarHBondContact O-CG 3.4Å; L88-L92 PolarHBondContact O-N 2.86Å; F89-L92 PolarHBondContact O-N 2.9Å; F89-L92 VanDerWaalsContact O-N 3.16Å; G90-L92 VanDerWaalsContact C-N 3.34Å; G90-L92 PolarHBondContact O-N 3.1Å; L92-A94 PolarHBondContact O-N 3.33Å; L92-F95 PolarHBondContact O-N 3.12Å |
| 93 | I | 94.1 | Very high | 93.4 | Very high | 4 Ų | 4 | 49.9 Ų | 49.9 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.7 | -24 | 178.5 | 65.6 | 170.9 | 0 | 0 | 0 | 111.8 | F9 F89 G90 F95 N96 L101 F102 Y105 | F9-I93 HydrophobicContact CE1-CD1 4.19Å; F9-I93 HydrophobicContact CE1-CG1 4.02Å; F9-I93 HydrophobicContact CZ-CD1 4.12Å; F9-I93 HydrophobicContact CZ-CG1 4.39Å; F89-I93 HydrophobicContact CD2-CG2 3.83Å; F89-I93 HydrophobicContact CE1-CG2 4.16Å; F89-I93 HydrophobicContact CE2-CG2 3.42Å; F89-I93 VanDerWaalsContact CE2-CG2 3.42Å; F89-I93 HydrophobicContact CG-CG2 4.36Å; F89-I93 HydrophobicContact CZ-CG2 3.59Å; F89-I93 WeakPolarHBondContact O-CG2 3.47Å; F89-I93 PolarHBondContact O-N 3.24Å; G90-I93 WeakPolarHBondContact O-CG1 3.5Å; I93-F95 PolarHBondContact O-N 3.35Å; I93-N96 PolarHBondContact O-N 3.4Å; I93-L101 HydrophobicContact CB-CB 4.37Å; I93-L101 HydrophobicContact CG2-CB 3.87Å; I93-L101 HydrophobicContact CG2-CD1 4.25Å; I93-F102 HydrophobicContact CD1-CD1 3.81Å; I93-F102 HydrophobicContact CD1-CE1 3.97Å; I93-F102 HydrophobicContact CD1-CG 4.24Å; I93-F102 HydrophobicContact CG1-CE1 4.2Å; I93-F102 HydrophobicContact CG1-CZ 4.37Å; I93-Y105 HydrophobicContact CD1-CD1 4.2Å; I93-Y105 HydrophobicContact CD1-CD2 4.18Å; I93-Y105 HydrophobicContact CD1-CG 3.73Å |
| 94 | A | 90.7 | Very high | 93.3 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.008 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -12 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | H2 R6 F9 H10 G90 A91 L92 | H2-A94 PolarHBondContact CE1-O 3.4Å; H2-A94 VanDerWaalsContact CE1-O 3.23Å; R6-A94 PolarHBondContact NE-O 3.19Å; R6-A94 PolarHBondContact NH2-O 3.32Å; F9-A94 HydrophobicContact CD1-CB 3.9Å; F9-A94 HydrophobicContact CE1-CB 4.15Å; H10-A94 HydrophobicContact CB-CB 3.77Å; G90-A94 PolarHBondContact O-N 3.18Å; A91-A94 WeakPolarHBondContact O-CB 3.46Å; L92-A94 PolarHBondContact O-N 3.33Å |
| 95 | F | 88.4 | Confident | 93.3 | Very high | 128 Ų | 128 | 53.9 Ų | 53.9 | 56% | 0.561 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | -9.6 | 171.5 | -59.7 | -71.5 | 0 | 0 | 0 | 114.2 | R6 H10 L92 I93 | R6-F95 PolarHBondContact NH2-O 3.45Å; H10-F95 AromaticContact CE1-CE2 3.3Å; H10-F95 WeakPolarHBondContact CE1-CE2 3.43Å; H10-F95 AromaticContact CE1-CZ 3.29Å; H10-F95 WeakPolarHBondContact CE1-CZ 3.3Å; H10-F95 AromaticContact ND1-CE2 3.8Å; H10-F95 AromaticContact ND1-CZ 3.86Å; H10-F95 AromaticContact NE2-CZ 3.54Å; L92-F95 PolarHBondContact O-N 3.12Å; I93-F95 PolarHBondContact O-N 3.35Å |
| 96 | N | 86.7 | Confident | 93.3 | Very high | 77 Ų | 77 | 52.5 Ų | 52.5 | 41% | 0.412 | 26% | 0.264 | S | S | . | . | trans | -94.7 | 159.3 | 178.4 | -151.6 | -33.2 | 0 | 0 | 0 | 112.5 | R6 I93 S98 L101 | R6-N96 VanDerWaalsContact CZ-O 3.27Å; R6-N96 PolarHBondContact NH2-O 3.05Å; I93-N96 PolarHBondContact O-N 3.4Å; N96-S98 PolarHBondContact OD1-N 3.48Å; N96-L101 HydrophobicContact CB-CD1 4.1Å; N96-L101 VanDerWaalsContact ND2-CD1 3.3Å; N96-L101 WeakPolarHBondContact ND2-CD1 3.28Å | ||
| 97 | R | 84.6 | Confident | 93.3 | Very high | 152 Ų | 152 | 54.9 Ų | 54.9 | 57% | 0.574 | 28% | 0.279 | S | S | * | . | trans | -104.8 | -1.6 | 173.2 | -165.8 | 174.3 | 173.7 | -179.1 | -5.2 | 112.6 | S99 Y276 | R97-S99 PolarHBondContact O-N 3.04Å; R97-Y276 VanDerWaalsContact NH2-CB 3.29Å; R97-Y276 PolarHBondContact NH2-O 2.85Å | ||
| 98 | S | 90.2 | Very high | 93.3 | Very high | 41 Ų | 41 | 57.5 Ų | 57.5 | 29% | 0.287 | 30% | 0.295 | S | S | . | . | trans | -67.5 | 113.6 | -179.4 | 178.6 | 0 | 0 | 0 | 0 | 112.5 | N96 T100 L101 | N96-S98 PolarHBondContact OD1-N 3.48Å; S98-T100 PolarHBondContact O-N 3.33Å; S98-L101 PolarHBondContact O-N 3.27Å | ||
| 99 | S | 90.1 | Very high | 93.2 | Very high | 26 Ų | 26 | 53.5 Ų | 53.5 | 18% | 0.182 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.9 | -34.3 | 174.1 | -54.6 | 0 | 0 | 0 | 0 | 112.3 | R97 L101 F102 L103 I273 | R97-S99 PolarHBondContact O-N 3.04Å; S99-L101 VanDerWaalsContact C-N 3.32Å; S99-L101 PolarHBondContact O-N 3.49Å; S99-F102 PolarHBondContact O-N 2.89Å; S99-L103 PolarHBondContact O-N 3.47Å; S99-I273 WeakPolarHBondContact OG-CG2 3.4Å |
| 100 | T | 92.9 | Very high | 93.2 | Very high | 97 Ų | 97 | 51.9 Ų | 51.9 | 60% | 0.595 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -60.6 | -40.8 | -179.5 | -49.1 | 0 | 0 | 0 | 0 | 111.8 | S98 L103 M104 | S98-T100 PolarHBondContact O-N 3.33Å; T100-L103 PolarHBondContact O-N 3.09Å; T100-M104 VanDerWaalsContact O-CG 3.31Å; T100-M104 WeakPolarHBondContact O-CG 3.44Å; T100-M104 PolarHBondContact O-N 3.45Å |
| 101 | L | 94.4 | Very high | 93.3 | Very high | 52 Ų | 52 | 55.8 Ų | 55.8 | 27% | 0.272 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67.5 | -39.6 | -180 | -66.4 | 177.5 | 0 | 0 | 0 | 112.3 | F89 I93 N96 S98 S99 M104 Y105 | F89-L101 HydrophobicContact CE2-CD2 4.37Å; F89-L101 HydrophobicContact CZ-CD2 4.14Å; I93-L101 HydrophobicContact CB-CB 4.37Å; I93-L101 HydrophobicContact CG2-CB 3.87Å; I93-L101 HydrophobicContact CG2-CD1 4.25Å; N96-L101 HydrophobicContact CB-CD1 4.1Å; N96-L101 VanDerWaalsContact ND2-CD1 3.3Å; N96-L101 WeakPolarHBondContact ND2-CD1 3.28Å; S98-L101 PolarHBondContact O-N 3.27Å; S99-L101 VanDerWaalsContact C-N 3.32Å; S99-L101 PolarHBondContact O-N 3.49Å; L101-M104 PolarHBondContact O-N 2.96Å; L101-Y105 WeakPolarHBondContact O-CB 3.27Å; L101-Y105 PolarHBondContact O-N 3.06Å |
| 102 | F | 94.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.9 | -39.6 | 174.7 | -80.3 | -80.4 | 0 | 0 | 0 | 111.9 | F9 I93 S99 Y105 E106 V266 V269 L270 I273 | F9-F102 HydrophobicContact CD1-CE1 4.1Å; F9-F102 AromaticContact CE1-CE1 3.75Å; F9-F102 HydrophobicContact CE1-CE1 3.75Å; F9-F102 HydrophobicContact CZ-CE1 4.29Å; I93-F102 HydrophobicContact CD1-CD1 3.81Å; I93-F102 HydrophobicContact CD1-CE1 3.97Å; I93-F102 HydrophobicContact CD1-CG 4.24Å; I93-F102 HydrophobicContact CG1-CE1 4.2Å; I93-F102 HydrophobicContact CG1-CZ 4.37Å; S99-F102 PolarHBondContact O-N 2.89Å; F102-Y105 PolarHBondContact O-N 3.25Å; F102-E106 WeakPolarHBondContact O-CB 3.36Å; F102-E106 PolarHBondContact O-N 3.37Å; F102-V266 HydrophobicContact CB-CG1 4.13Å; F102-V266 HydrophobicContact CD1-CG1 4.08Å; F102-V266 WeakPolarHBondContact O-CG1 3.49Å; F102-V269 HydrophobicContact CD1-CB 4.49Å; F102-V269 HydrophobicContact CD1-CG1 4.06Å; F102-V269 HydrophobicContact CD2-CG1 4.42Å; F102-V269 HydrophobicContact CE1-CB 4.23Å; F102-V269 HydrophobicContact CE1-CG1 3.63Å; F102-V269 HydrophobicContact CE2-CG1 4.04Å; F102-V269 HydrophobicContact CG-CG1 4.43Å; F102-V269 HydrophobicContact CZ-CG1 3.62Å; F102-L270 HydrophobicContact CB-CD1 4.48Å; F102-L270 HydrophobicContact CB-CD2 3.6Å; F102-L270 HydrophobicContact CB-CG 3.94Å; F102-I273 HydrophobicContact CD2-CD1 3.84Å; F102-I273 HydrophobicContact CE2-CD1 3.96Å |
| 103 | L | 94.3 | Very high | 93.4 | Very high | 85 Ų | 85 | 52.6 Ų | 52.6 | 45% | 0.445 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.6 | -44.7 | 175.7 | -170.5 | 151.8 | 0 | 0 | 0 | 111.5 | S99 T100 Y105 E106 V107 | S99-L103 PolarHBondContact O-N 3.47Å; T100-L103 PolarHBondContact O-N 3.09Å; L103-Y105 VanDerWaalsContact C-N 3.29Å; L103-Y105 PolarHBondContact O-N 3.33Å; L103-E106 PolarHBondContact O-N 2.87Å; L103-V107 HydrophobicContact CD2-CG2 4.02Å; L103-V107 WeakPolarHBondContact O-CG2 3.35Å; L103-V107 PolarHBondContact O-N 3.36Å |
| 104 | M | 95.5 | Very high | 93.5 | Very high | 101 Ų | 101 | 57.1 Ų | 57.1 | 50% | 0.498 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.6 | -40 | 175.8 | -70 | -54.3 | -59.6 | 0 | 0 | 112.3 | T100 L101 T108 | T100-M104 VanDerWaalsContact O-CG 3.31Å; T100-M104 WeakPolarHBondContact O-CG 3.44Å; T100-M104 PolarHBondContact O-N 3.45Å; L101-M104 PolarHBondContact O-N 2.96Å; M104-T108 WeakPolarHBondContact O-CB 3.39Å; M104-T108 PolarHBondContact O-N 3.27Å; M104-T108 VanDerWaalsContact O-N 3.1Å; M104-T108 PolarHBondContact O-OG1 3.5Å |
| 105 | Y | 96.4 | Very high | 93.8 | Very high | 1 Ų | 1 | 61 Ų | 61 | 0% | 0.004 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66 | -44.2 | 176.4 | -179 | -95.1 | 0 | 0 | 0 | 112.3 | F9 N13 I86 F89 G90 I93 L101 F102 L103 T108 L109 V266 | F9-Y105 HydrophobicContact CE2-CD1 4.27Å; F9-Y105 AromaticContact CE2-CE1 3.66Å; F9-Y105 HydrophobicContact CE2-CE1 3.66Å; F9-Y105 AromaticContact CZ-CD1 3.98Å; F9-Y105 HydrophobicContact CZ-CD1 3.98Å; F9-Y105 AromaticContact CZ-CE1 3.64Å; F9-Y105 HydrophobicContact CZ-CE1 3.64Å; N13-Y105 PolarHBondContact OD1-OH 2.84Å; I86-Y105 HydrophobicContact CG2-CD2 4.3Å; I86-Y105 HydrophobicContact CG2-CE2 3.63Å; I86-Y105 WeakPolarHBondContact O-CE2 3.39Å; F89-Y105 AromaticContact CD1-CD2 3.78Å; F89-Y105 HydrophobicContact CD1-CD2 3.78Å; F89-Y105 HydrophobicContact CE1-CD2 4.23Å; G90-Y105 VanDerWaalsContact CA-CE2 3.46Å; I93-Y105 HydrophobicContact CD1-CD1 4.2Å; I93-Y105 HydrophobicContact CD1-CD2 4.18Å; I93-Y105 HydrophobicContact CD1-CG 3.73Å; L101-Y105 WeakPolarHBondContact O-CB 3.27Å; L101-Y105 PolarHBondContact O-N 3.06Å; F102-Y105 PolarHBondContact O-N 3.25Å; L103-Y105 VanDerWaalsContact C-N 3.29Å; L103-Y105 PolarHBondContact O-N 3.33Å; Y105-T108 PolarHBondContact O-N 2.98Å; Y105-L109 HydrophobicContact CD1-CD1 4.03Å; Y105-L109 HydrophobicContact CD1-CG 4.41Å; Y105-L109 HydrophobicContact CE1-CD1 3.22Å; Y105-L109 HydrophobicContact CE1-CG 3.89Å; Y105-L109 HydrophobicContact CE2-CD1 4.46Å; Y105-L109 HydrophobicContact CE2-CG 4.4Å; Y105-L109 VanDerWaalsContact CZ-CD1 3.48Å; Y105-L109 PolarHBondContact O-N 3.4Å; Y105-L109 WeakPolarHBondContact OH-CD1 3.32Å; Y105-V266 HydrophobicContact CD1-CG2 3.54Å; Y105-V266 HydrophobicContact CE1-CG2 3.72Å |
| 106 | E | 95.2 | Very high | 94.1 | Very high | 45 Ų | 45 | 56.3 Ų | 56.3 | 21% | 0.21 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.6 | -53.2 | 176 | -176.2 | -81.3 | 141.5 | 0 | 0 | 111.4 | F102 L103 T108 L109 T110 V263 V266 | F102-E106 WeakPolarHBondContact O-CB 3.36Å; F102-E106 PolarHBondContact O-N 3.37Å; L103-E106 PolarHBondContact O-N 2.87Å; E106-T108 VanDerWaalsContact C-N 3.27Å; E106-T108 PolarHBondContact O-N 3.49Å; E106-L109 PolarHBondContact O-N 3.4Å; E106-T110 WeakPolarHBondContact O-CB 3.42Å; E106-T110 PolarHBondContact O-N 2.79Å; E106-T110 PolarHBondContact O-OG1 3.45Å; E106-T110 VanDerWaalsContact O-OG1 3.1Å; E106-T110 PolarHBondContact OE1-OG1 3.44Å; E106-V263 HydrophobicContact CG-CG1 4.37Å; E106-V266 HydrophobicContact CB-CG1 3.8Å; E106-V266 HydrophobicContact CG-CG1 4.41Å |
| 107 | V | 96.5 | Very high | 94.5 | Very high | 67 Ų | 67 | 56.4 Ų | 56.4 | 41% | 0.406 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -57.5 | -43.5 | 179.4 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | L103 T110 V111 | L103-V107 HydrophobicContact CD2-CG2 4.02Å; L103-V107 WeakPolarHBondContact O-CG2 3.35Å; L103-V107 PolarHBondContact O-N 3.36Å; V107-T110 PolarHBondContact O-N 2.96Å; V107-V111 VanDerWaalsContact O-CG2 3.31Å; V107-V111 WeakPolarHBondContact O-CG2 3.46Å; V107-V111 PolarHBondContact O-N 3Å |
| 108 | T | 96.2 | Very high | 95 | Very high | 55 Ų | 55 | 52.4 Ų | 52.4 | 34% | 0.337 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.2 | -48.8 | 179 | -57.2 | 0 | 0 | 0 | 0 | 111.5 | I86 M104 Y105 E106 T110 V111 C112 | I86-T108 HydrophobicContact CD1-CG2 4.03Å; I86-T108 HydrophobicContact CG1-CG2 4.25Å; M104-T108 WeakPolarHBondContact O-CB 3.39Å; M104-T108 PolarHBondContact O-N 3.27Å; M104-T108 VanDerWaalsContact O-N 3.1Å; M104-T108 PolarHBondContact O-OG1 3.5Å; Y105-T108 PolarHBondContact O-N 2.98Å; E106-T108 VanDerWaalsContact C-N 3.27Å; E106-T108 PolarHBondContact O-N 3.49Å; T108-T110 PolarHBondContact O-N 3.45Å; T108-V111 PolarHBondContact O-N 2.97Å; T108-C112 PolarHBondContact O-N 3.1Å; T108-C112 PolarHBondContact O-SG 2.88Å |
| 109 | L | 96 | Very high | 95.1 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.4 | -43.3 | 177.4 | -81.8 | -172.3 | 0 | 0 | 0 | 112.1 | I86 Y87 Y105 E106 V111 C112 I113 L262 V263 | I86-L109 HydrophobicContact CG2-CD2 3.7Å; I86-L109 HydrophobicContact CG2-CG 4.3Å; Y87-L109 HydrophobicContact CE1-CD2 4.33Å; Y105-L109 HydrophobicContact CD1-CD1 4.03Å; Y105-L109 HydrophobicContact CD1-CG 4.41Å; Y105-L109 HydrophobicContact CE1-CD1 3.22Å; Y105-L109 HydrophobicContact CE1-CG 3.89Å; Y105-L109 HydrophobicContact CE2-CD1 4.46Å; Y105-L109 HydrophobicContact CE2-CG 4.4Å; Y105-L109 VanDerWaalsContact CZ-CD1 3.48Å; Y105-L109 PolarHBondContact O-N 3.4Å; Y105-L109 WeakPolarHBondContact OH-CD1 3.32Å; E106-L109 PolarHBondContact O-N 3.4Å; L109-V111 VanDerWaalsContact C-N 3.34Å; L109-V111 PolarHBondContact O-N 2.78Å; L109-C112 WeakPolarHBondContact O-CB 3.16Å; L109-C112 PolarHBondContact O-N 3.07Å; L109-I113 VanDerWaalsContact O-CG1 3.29Å; L109-I113 WeakPolarHBondContact O-CG1 3.21Å; L109-I113 PolarHBondContact O-N 3.2Å; L109-L262 HydrophobicContact CD1-CB 3.83Å; L109-V263 HydrophobicContact CB-CG2 3.85Å; L109-V263 HydrophobicContact CD1-CG2 4.1Å |
| 110 | T | 96.3 | Very high | 95.3 | Very high | 46 Ų | 46 | 55.2 Ų | 55.2 | 28% | 0.282 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.4 | -44.2 | 179.4 | -65.6 | 0 | 0 | 0 | 0 | 110.8 | E106 V107 T108 I113 I114 | E106-T110 WeakPolarHBondContact O-CB 3.42Å; E106-T110 PolarHBondContact O-N 2.79Å; E106-T110 PolarHBondContact O-OG1 3.45Å; E106-T110 VanDerWaalsContact O-OG1 3.1Å; E106-T110 PolarHBondContact OE1-OG1 3.44Å; V107-T110 PolarHBondContact O-N 2.96Å; T108-T110 PolarHBondContact O-N 3.45Å; T110-I113 PolarHBondContact O-N 3.46Å; T110-I114 HydrophobicContact CG2-CD1 4.22Å; T110-I114 WeakPolarHBondContact O-CG1 3.42Å; T110-I114 PolarHBondContact O-N 2.97Å; T110-I114 VanDerWaalsContact O-N 3.1Å |
| 111 | V | 96.6 | Very high | 95.3 | Very high | 82 Ų | 82 | 54.2 Ų | 54.2 | 50% | 0.497 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.2 | -45.2 | 173.7 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | V107 T108 L109 I113 I114 V115 | V107-V111 VanDerWaalsContact O-CG2 3.31Å; V107-V111 WeakPolarHBondContact O-CG2 3.46Å; V107-V111 PolarHBondContact O-N 3Å; T108-V111 PolarHBondContact O-N 2.97Å; L109-V111 VanDerWaalsContact C-N 3.34Å; L109-V111 PolarHBondContact O-N 2.78Å; V111-I113 VanDerWaalsContact C-N 3.34Å; V111-I113 PolarHBondContact O-N 3.42Å; V111-I114 PolarHBondContact O-N 3.06Å; V111-V115 HydrophobicContact CG1-CG2 4.36Å; V111-V115 WeakPolarHBondContact O-CG2 3.34Å; V111-V115 PolarHBondContact O-N 3.28Å |
| 112 | C | 96 | Very high | 95.2 | Very high | 26 Ų | 26 | 57.3 Ų | 57.3 | 18% | 0.176 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.8 | -41.1 | 177.2 | -73.4 | 0 | 0 | 0 | 0 | 112.6 | F83 T108 L109 V115 H116 | F83-C112 HydrophobicContact CE1-CB 3.98Å; F83-C112 HydrophobicContact CZ-CB 3.84Å; T108-C112 PolarHBondContact O-N 3.1Å; T108-C112 PolarHBondContact O-SG 2.88Å; L109-C112 WeakPolarHBondContact O-CB 3.16Å; L109-C112 PolarHBondContact O-N 3.07Å; C112-V115 PolarHBondContact O-N 3.28Å; C112-H116 VanDerWaalsContact O-CB 3.26Å; C112-H116 WeakPolarHBondContact O-CB 3.48Å; C112-H116 PolarHBondContact O-N 3.03Å |
| 113 | I | 96.3 | Very high | 95.1 | Very high | 18 Ų | 18 | 58.8 Ų | 58.8 | 9% | 0.092 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.6 | -49.2 | 175.8 | -69.8 | 163.3 | 0 | 0 | 0 | 110.3 | L109 T110 V111 V115 H116 I117 I256 N259 I260 V263 | L109-I113 VanDerWaalsContact O-CG1 3.29Å; L109-I113 WeakPolarHBondContact O-CG1 3.21Å; L109-I113 PolarHBondContact O-N 3.2Å; T110-I113 PolarHBondContact O-N 3.46Å; V111-I113 VanDerWaalsContact C-N 3.34Å; V111-I113 PolarHBondContact O-N 3.42Å; I113-V115 PolarHBondContact O-N 3.05Å; I113-H116 PolarHBondContact O-N 2.97Å; I113-I117 HydrophobicContact CG2-CD1 3.71Å; I113-I117 HydrophobicContact CG2-CG1 4.41Å; I113-I117 VanDerWaalsContact O-CG1 3.32Å; I113-I117 WeakPolarHBondContact O-CG1 3.32Å; I113-I117 PolarHBondContact O-N 2.9Å; I113-I256 HydrophobicContact CG2-CG2 4.29Å; I113-N259 HydrophobicContact CD1-CB 3.75Å; I113-N259 HydrophobicContact CG1-CB 3.58Å; I113-I260 HydrophobicContact CD1-CG1 4.1Å; I113-V263 HydrophobicContact CD1-CG2 3.94Å |
| 114 | I | 96.8 | Very high | 95.1 | Very high | 100 Ų | 100 | 57.2 Ų | 57.2 | 51% | 0.513 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.7 | -49.2 | -179.6 | -66.5 | 165.3 | 0 | 0 | 0 | 110.2 | T110 V111 H116 I117 V118 | T110-I114 HydrophobicContact CG2-CD1 4.22Å; T110-I114 WeakPolarHBondContact O-CG1 3.42Å; T110-I114 PolarHBondContact O-N 2.97Å; T110-I114 VanDerWaalsContact O-N 3.1Å; V111-I114 PolarHBondContact O-N 3.06Å; I114-H116 VanDerWaalsContact C-N 3.31Å; I114-H116 PolarHBondContact O-N 3.14Å; I114-I117 PolarHBondContact O-N 3.49Å; I114-V118 WeakPolarHBondContact O-CG2 3.43Å; I114-V118 PolarHBondContact O-N 3.33Å |
| 115 | V | 95.7 | Very high | 95 | Very high | 83 Ų | 83 | 59.5 Ų | 59.5 | 50% | 0.503 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.8 | -43.1 | 178.3 | 172.7 | 0 | 0 | 0 | 0 | 111 | V111 C112 I113 V118 M119 | V111-V115 HydrophobicContact CG1-CG2 4.36Å; V111-V115 WeakPolarHBondContact O-CG2 3.34Å; V111-V115 PolarHBondContact O-N 3.28Å; C112-V115 PolarHBondContact O-N 3.28Å; I113-V115 PolarHBondContact O-N 3.05Å; V115-V118 PolarHBondContact O-N 3.48Å; V115-M119 HydrophobicContact CG1-CG 4.36Å; V115-M119 WeakPolarHBondContact O-CB 3.46Å; V115-M119 VanDerWaalsContact O-CG 3.27Å; V115-M119 WeakPolarHBondContact O-CG 3.32Å; V115-M119 PolarHBondContact O-N 3.18Å |
| 116 | H | 94.9 | Very high | 94.8 | Very high | 29 Ų | 29 | 63.6 Ų | 63.6 | 13% | 0.134 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.8 | -43 | 179.9 | -166.9 | -178.2 | 0 | 0 | 0 | 111.9 | C112 I113 I114 V118 M119 I120 S252 I256 | C112-H116 VanDerWaalsContact O-CB 3.26Å; C112-H116 WeakPolarHBondContact O-CB 3.48Å; C112-H116 PolarHBondContact O-N 3.03Å; I113-H116 PolarHBondContact O-N 2.97Å; I114-H116 VanDerWaalsContact C-N 3.31Å; I114-H116 PolarHBondContact O-N 3.14Å; H116-V118 PolarHBondContact O-N 2.87Å; H116-M119 PolarHBondContact O-N 3.11Å; H116-I120 WeakPolarHBondContact O-CG1 3.31Å; H116-I120 PolarHBondContact O-N 3.23Å; H116-S252 PolarHBondContact CE1-O 3.33Å; H116-S252 VanDerWaalsContact CE1-O 3.24Å; H116-S252 WeakPolarHBondContact NE2-CB 3.34Å; H116-S252 PolarHBondContact NE2-OG 3.25Å; H116-I256 HydrophobicContact CB-CD1 4.47Å; H116-I256 HydrophobicContact CB-CG1 4.41Å; H116-I256 WeakPolarHBondContact ND1-CG1 3.21Å |
| 117 | I | 95.9 | Very high | 94.7 | Very high | 78 Ų | 78 | 63.5 Ų | 63.5 | 40% | 0.4 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.6 | -45.4 | 174.9 | -69 | 168.3 | 0 | 0 | 0 | 111 | I113 I114 M119 I120 T121 I256 | I113-I117 HydrophobicContact CG2-CD1 3.71Å; I113-I117 HydrophobicContact CG2-CG1 4.41Å; I113-I117 VanDerWaalsContact O-CG1 3.32Å; I113-I117 WeakPolarHBondContact O-CG1 3.32Å; I113-I117 PolarHBondContact O-N 2.9Å; I114-I117 PolarHBondContact O-N 3.49Å; I117-M119 VanDerWaalsContact C-N 3.34Å; I117-M119 PolarHBondContact O-N 2.66Å; I117-I120 PolarHBondContact O-N 2.98Å; I117-T121 WeakPolarHBondContact O-CB 3.4Å; I117-T121 PolarHBondContact O-N 3.09Å; I117-T121 PolarHBondContact O-OG1 3.43Å; I117-I256 HydrophobicContact CG1-CD1 3.91Å; I117-I256 HydrophobicContact CG1-CG2 4.44Å |
| 118 | V | 95.4 | Very high | 94.6 | Very high | 69 Ų | 69 | 65.5 Ų | 65.5 | 42% | 0.418 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.1 | -46.1 | 177.4 | 171.5 | 0 | 0 | 0 | 0 | 110.4 | I114 V115 H116 T121 M122 | I114-V118 WeakPolarHBondContact O-CG2 3.43Å; I114-V118 PolarHBondContact O-N 3.33Å; V115-V118 PolarHBondContact O-N 3.48Å; H116-V118 PolarHBondContact O-N 2.87Å; V118-T121 PolarHBondContact O-N 3.15Å; V118-M122 HydrophobicContact CG1-CE 3.73Å; V118-M122 HydrophobicContact CG1-CG 4.44Å; V118-M122 HydrophobicContact CG1-SD 4.19Å; V118-M122 WeakPolarHBondContact O-CG 3.44Å; V118-M122 PolarHBondContact O-N 3.44Å |
| 119 | M | 92.5 | Very high | 94.4 | Very high | 107 Ų | 107 | 67.7 Ų | 67.7 | 53% | 0.527 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.2 | -48 | 178.8 | -74 | -66.8 | -67.8 | 0 | 0 | 112.5 | V115 H116 I117 T121 M122 V123 | V115-M119 HydrophobicContact CG1-CG 4.36Å; V115-M119 WeakPolarHBondContact O-CB 3.46Å; V115-M119 VanDerWaalsContact O-CG 3.27Å; V115-M119 WeakPolarHBondContact O-CG 3.32Å; V115-M119 PolarHBondContact O-N 3.18Å; H116-M119 PolarHBondContact O-N 3.11Å; I117-M119 VanDerWaalsContact C-N 3.34Å; I117-M119 PolarHBondContact O-N 2.66Å; M119-T121 VanDerWaalsContact C-N 3.3Å; M119-T121 PolarHBondContact O-N 3Å; M119-M122 PolarHBondContact O-N 3.12Å; M119-V123 WeakPolarHBondContact O-CG2 3.12Å; M119-V123 PolarHBondContact O-N 3.11Å |
| 120 | I | 93.7 | Very high | 94.2 | Very high | 19 Ų | 19 | 69.2 Ų | 69.2 | 10% | 0.097 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.9 | -44.1 | 176.8 | -68 | 176.5 | 0 | 0 | 0 | 110.1 | H116 I117 M122 V123 L124 S252 I253 I256 | H116-I120 WeakPolarHBondContact O-CG1 3.31Å; H116-I120 PolarHBondContact O-N 3.23Å; I117-I120 PolarHBondContact O-N 2.98Å; I120-M122 VanDerWaalsContact C-N 3.34Å; I120-M122 PolarHBondContact O-N 3.05Å; I120-V123 PolarHBondContact O-N 3Å; I120-L124 HydrophobicContact CG2-CD1 3.57Å; I120-L124 HydrophobicContact CG2-CG 4.07Å; I120-L124 WeakPolarHBondContact O-CB 3.46Å; I120-L124 WeakPolarHBondContact O-CG 3.41Å; I120-L124 PolarHBondContact O-N 3.29Å; I120-S252 VanDerWaalsContact CD1-OG 3.28Å; I120-S252 WeakPolarHBondContact CD1-OG 3.35Å; I120-I253 HydrophobicContact CD1-CG1 4.07Å; I120-I256 HydrophobicContact CD1-CD1 3.57Å |
| 121 | T | 93.7 | Very high | 94.2 | Very high | 76 Ų | 76 | 68.7 Ų | 68.7 | 47% | 0.466 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.4 | -42.8 | -179.9 | -57.8 | 0 | 0 | 0 | 0 | 110.9 | I117 V118 M119 V123 L124 K125 | I117-T121 WeakPolarHBondContact O-CB 3.4Å; I117-T121 PolarHBondContact O-N 3.09Å; I117-T121 PolarHBondContact O-OG1 3.43Å; V118-T121 PolarHBondContact O-N 3.15Å; M119-T121 VanDerWaalsContact C-N 3.3Å; M119-T121 PolarHBondContact O-N 3Å; T121-V123 PolarHBondContact O-N 3.48Å; T121-L124 PolarHBondContact O-N 2.65Å; T121-K125 WeakPolarHBondContact O-CB 3.17Å; T121-K125 PolarHBondContact O-N 2.84Å |
| 122 | M | 92.1 | Very high | 94.1 | Very high | 116 Ų | 116 | 70 Ų | 70 | 57% | 0.571 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -60.7 | -43.9 | 175.7 | -74.6 | -178.1 | 174.5 | 0 | 0 | 112.3 | V118 M119 I120 H126 | V118-M122 HydrophobicContact CG1-CE 3.73Å; V118-M122 HydrophobicContact CG1-CG 4.44Å; V118-M122 HydrophobicContact CG1-SD 4.19Å; V118-M122 WeakPolarHBondContact O-CG 3.44Å; V118-M122 PolarHBondContact O-N 3.44Å; M119-M122 PolarHBondContact O-N 3.12Å; I120-M122 VanDerWaalsContact C-N 3.34Å; I120-M122 PolarHBondContact O-N 3.05Å; M122-H126 PolarHBondContact O-N 3.14Å |
| 123 | V | 91.5 | Very high | 94 | Very high | 32 Ų | 32 | 72.4 Ų | 72.4 | 19% | 0.194 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -65.5 | -46.1 | 179.2 | 170.7 | 0 | 0 | 0 | 0 | 111.5 | M119 I120 T121 I245 | M119-V123 WeakPolarHBondContact O-CG2 3.12Å; M119-V123 PolarHBondContact O-N 3.11Å; I120-V123 PolarHBondContact O-N 3Å; T121-V123 PolarHBondContact O-N 3.48Å; V123-I245 HydrophobicContact CG1-CG2 3.99Å |
| 124 | L | 93.3 | Very high | 94 | Very high | 51 Ų | 51 | 72 Ų | 72 | 27% | 0.267 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -80.1 | -29.4 | -175.3 | -63.7 | -177.8 | 0 | 0 | 0 | 113.4 | I120 T121 A246 A249 Y250 | I120-L124 HydrophobicContact CG2-CD1 3.57Å; I120-L124 HydrophobicContact CG2-CG 4.07Å; I120-L124 WeakPolarHBondContact O-CB 3.46Å; I120-L124 WeakPolarHBondContact O-CG 3.41Å; I120-L124 PolarHBondContact O-N 3.29Å; T121-L124 PolarHBondContact O-N 2.65Å; L124-A246 HydrophobicContact CD2-CB 4.18Å; L124-A249 HydrophobicContact CD2-CB 4.42Å; L124-Y250 HydrophobicContact CD1-CE1 4.09Å |
| 125 | K | 94.3 | Very high | 93.9 | Very high | 149 Ų | 149 | 68.1 Ų | 68.1 | 65% | 0.648 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -74.7 | -28.5 | 179.7 | -173.6 | 178.4 | 179.1 | -177.4 | 0 | 112.8 | T121 P127 | T121-K125 WeakPolarHBondContact O-CB 3.17Å; T121-K125 PolarHBondContact O-N 2.84Å; K125-P127 VanDerWaalsContact C-CD 3.43Å; K125-P127 WeakPolarHBondContact O-CD 3.01Å |
| 126 | H | 92 | Very high | 93.9 | Very high | 88 Ų | 88 | 70.1 Ų | 70.1 | 41% | 0.407 | 35% | 0.348 | S | S | . | . | trans | -125.3 | 64.5 | -176.6 | -60.5 | -66.1 | 0 | 0 | 0 | 111.6 | M122 E128 N129 | M122-H126 PolarHBondContact O-N 3.14Å; H126-E128 PolarHBondContact O-N 3.26Å; H126-N129 HydrophobicContact CB-CB 4.41Å; H126-N129 WeakPolarHBondContact CB-ND2 3.41Å; H126-N129 PolarHBondContact O-N 3.4Å; H126-N129 VanDerWaalsContact O-N 3.07Å | ||
| 127 | P | 92.7 | Very high | 93.9 | Very high | 43 Ų | 43 | 70 Ų | 70 | 28% | 0.279 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -54.4 | -39.6 | -179.6 | 23.2 | -34.1 | 0 | 0 | 0 | 111.9 | K125 N129 I130 E131 F242 | K125-P127 VanDerWaalsContact C-CD 3.43Å; K125-P127 WeakPolarHBondContact O-CD 3.01Å; P127-N129 PolarHBondContact O-N 2.99Å; P127-N129 VanDerWaalsContact O-N 3.1Å; P127-I130 PolarHBondContact O-N 2.87Å; P127-E131 WeakPolarHBondContact O-CG 3.36Å; P127-E131 PolarHBondContact O-N 3.33Å; P127-F242 HydrophobicContact CB-CD1 4.11Å; P127-F242 HydrophobicContact CB-CD2 4.03Å; P127-F242 HydrophobicContact CB-CE1 3.76Å; P127-F242 HydrophobicContact CB-CE2 3.66Å; P127-F242 HydrophobicContact CB-CG 4.25Å; P127-F242 HydrophobicContact CB-CZ 3.53Å |
| 128 | E | 94.1 | Very high | 93.9 | Very high | 109 Ų | 109 | 66.2 Ų | 66.2 | 51% | 0.509 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -55.2 | -31.4 | 179.4 | -63.8 | -167.9 | -148 | 0 | 0 | 114.2 | H126 K132 | H126-E128 PolarHBondContact O-N 3.26Å; E128-K132 WeakPolarHBondContact O-CB 3.28Å; E128-K132 WeakPolarHBondContact O-CD 3.47Å; E128-K132 WeakPolarHBondContact O-CG 3.28Å; E128-K132 PolarHBondContact O-N 2.95Å; E128-K132 IonicContact OE2-NZ 2.78Å; E128-K132 PolarHBondContact OE2-NZ 3.49Å |
| 129 | N | 93.1 | Very high | 93.9 | Very high | 101 Ų | 101 | 64 Ų | 64 | 54% | 0.54 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -68.7 | -41.3 | -179.8 | -72.1 | -12.1 | 0 | 0 | 0 | 110.9 | H126 P127 M133 | H126-N129 HydrophobicContact CB-CB 4.41Å; H126-N129 WeakPolarHBondContact CB-ND2 3.41Å; H126-N129 PolarHBondContact O-N 3.4Å; H126-N129 VanDerWaalsContact O-N 3.07Å; P127-N129 PolarHBondContact O-N 2.99Å; P127-N129 VanDerWaalsContact O-N 3.1Å; N129-M133 WeakPolarHBondContact O-CB 3.25Å; N129-M133 PolarHBondContact O-N 3.32Å |
| 130 | I | 92.3 | Very high | 93.9 | Very high | 32 Ų | 32 | 66.2 Ų | 66.2 | 16% | 0.164 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -72.1 | -43.6 | 177.6 | -60.1 | -58.7 | 0 | 0 | 0 | 110 | P127 M133 M134 F242 I245 | P127-I130 PolarHBondContact O-N 2.87Å; I130-M133 WeakPolarHBondContact O-CB 3.49Å; I130-M133 PolarHBondContact O-N 3.31Å; I130-M134 WeakPolarHBondContact O-CG 3.32Å; I130-M134 PolarHBondContact O-N 3.41Å; I130-F242 HydrophobicContact CB-CD2 4.12Å; I130-F242 HydrophobicContact CG2-CD2 4.21Å; I130-I245 HydrophobicContact CG2-CB 4.49Å; I130-I245 HydrophobicContact CG2-CD1 3.35Å; I130-I245 HydrophobicContact CG2-CG1 4.5Å; I130-I245 HydrophobicContact CG2-CG2 4.47Å |
| 131 | E | 95.1 | Very high | 93.9 | Very high | 34 Ų | 34 | 67.7 Ų | 67.7 | 16% | 0.159 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -57.2 | -54 | 175.6 | -66.7 | -177.8 | 175.9 | 0 | 0 | 110.7 | P127 M133 M134 E135 F242 | P127-E131 WeakPolarHBondContact O-CG 3.36Å; P127-E131 PolarHBondContact O-N 3.33Å; E131-M133 VanDerWaalsContact C-N 3.29Å; E131-M133 PolarHBondContact O-N 2.85Å; E131-M134 PolarHBondContact O-N 2.92Å; E131-M134 VanDerWaalsContact O-N 3.07Å; E131-E135 WeakPolarHBondContact O-CB 2.9Å; E131-E135 VanDerWaalsContact O-CG 3.24Å; E131-E135 WeakPolarHBondContact O-CG 3.02Å; E131-E135 PolarHBondContact O-N 3.48Å; E131-F242 HydrophobicContact CG-CB 3.66Å; E131-F242 HydrophobicContact CG-CG 4.27Å |
| 132 | K | 95.5 | Very high | 93.9 | Very high | 109 Ų | 109 | 64.1 Ų | 64.1 | 47% | 0.474 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.9 | -36.3 | 178 | -72.5 | 169.5 | -171.5 | 161 | 0 | 112.7 | E128 K136 | E128-K132 WeakPolarHBondContact O-CB 3.28Å; E128-K132 WeakPolarHBondContact O-CD 3.47Å; E128-K132 WeakPolarHBondContact O-CG 3.28Å; E128-K132 PolarHBondContact O-N 2.95Å; E128-K132 IonicContact OE2-NZ 2.78Å; E128-K132 PolarHBondContact OE2-NZ 3.49Å; K132-K136 WeakPolarHBondContact O-CB 3.4Å; K132-K136 PolarHBondContact O-N 3.03Å |
| 133 | M | 93.9 | Very high | 93.9 | Very high | 78 Ų | 78 | 63.3 Ų | 63.3 | 38% | 0.384 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.3 | -48.1 | 174.4 | -174.7 | -174.9 | 84.3 | 0 | 0 | 111 | N129 I130 E131 K136 L137 | N129-M133 WeakPolarHBondContact O-CB 3.25Å; N129-M133 PolarHBondContact O-N 3.32Å; I130-M133 WeakPolarHBondContact O-CB 3.49Å; I130-M133 PolarHBondContact O-N 3.31Å; E131-M133 VanDerWaalsContact C-N 3.29Å; E131-M133 PolarHBondContact O-N 2.85Å; M133-K136 PolarHBondContact O-N 2.87Å; M133-L137 PolarHBondContact O-N 3.32Å; M133-L137 VanDerWaalsContact O-N 3.09Å |
| 134 | M | 94.7 | Very high | 94 | Very high | 8 Ų | 8 | 66 Ų | 66 | 4% | 0.039 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -69.9 | -38.1 | -179 | -65.2 | -58.9 | -111.3 | 0 | 0 | 111.8 | I72 I130 E131 K136 L137 F138 F237 A241 I245 | I72-M134 HydrophobicContact CD1-CE 3.78Å; I130-M134 WeakPolarHBondContact O-CG 3.32Å; I130-M134 PolarHBondContact O-N 3.41Å; E131-M134 PolarHBondContact O-N 2.92Å; E131-M134 VanDerWaalsContact O-N 3.07Å; M134-K136 VanDerWaalsContact C-N 3.29Å; M134-K136 PolarHBondContact O-N 3.3Å; M134-L137 PolarHBondContact O-N 3.39Å; M134-L137 HydrophobicContact SD-CD1 4.13Å; M134-F138 WeakPolarHBondContact O-CB 3.48Å; M134-F138 PolarHBondContact O-N 2.91Å; M134-F237 HydrophobicContact CB-CE1 4.23Å; M134-A241 HydrophobicContact CB-CB 3.84Å; M134-A241 HydrophobicContact CE-CB 3.89Å; M134-A241 HydrophobicContact CG-CB 3.74Å; M134-I245 HydrophobicContact CE-CD1 4.1Å |
| 135 | E | 96.1 | Very high | 94 | Very high | 20 Ų | 20 | 63.9 Ų | 63.9 | 9% | 0.093 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.2 | -39.5 | 171.5 | -74.5 | 175.3 | 179.6 | 0 | 0 | 112.5 | E131 F138 S139 Y170 K234 | E131-E135 WeakPolarHBondContact O-CB 2.9Å; E131-E135 VanDerWaalsContact O-CG 3.24Å; E131-E135 WeakPolarHBondContact O-CG 3.02Å; E131-E135 PolarHBondContact O-N 3.48Å; E135-F138 PolarHBondContact O-N 3.38Å; E135-S139 PolarHBondContact O-N 3.12Å; E135-Y170 PolarHBondContact O-OH 3.32Å; E135-Y170 VanDerWaalsContact O-OH 3.12Å; E135-K234 HydrophobicContact CB-CG 4.08Å; E135-K234 HydrophobicContact CG-CG 3.66Å; E135-K234 WeakPolarHBondContact CG-O 3.24Å; E135-K234 WeakPolarHBondContact OE2-CE 3.49Å; E135-K234 IonicContact OE2-NZ 3.91Å |
| 136 | K | 95.4 | Very high | 94 | Very high | 125 Ų | 125 | 63.4 Ų | 63.4 | 54% | 0.543 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -71.6 | -36 | 177.6 | -177.5 | 178.1 | -178.5 | 176 | 0 | 112.4 | K132 M133 M134 F138 S139 R140 | K132-K136 WeakPolarHBondContact O-CB 3.4Å; K132-K136 PolarHBondContact O-N 3.03Å; M133-K136 PolarHBondContact O-N 2.87Å; M134-K136 VanDerWaalsContact C-N 3.29Å; M134-K136 PolarHBondContact O-N 3.3Å; K136-F138 VanDerWaalsContact C-N 3.3Å; K136-S139 PolarHBondContact O-OG 3.07Å; K136-S139 VanDerWaalsContact O-OG 3.05Å; K136-R140 WeakPolarHBondContact O-CG 3.42Å |
| 137 | L | 94.6 | Very high | 94 | Very high | 25 Ų | 25 | 59.3 Ų | 59.3 | 13% | 0.131 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.9 | -37.1 | 171.3 | -68.2 | 176.5 | 0 | 0 | 0 | 110.7 | T67 F68 P71 M133 M134 | T67-L137 HydrophobicContact CG2-CD2 4.25Å; F68-L137 HydrophobicContact CD1-CB 3.86Å; F68-L137 HydrophobicContact CE1-CB 3.67Å; P71-L137 HydrophobicContact CG-CD1 4.36Å; M133-L137 PolarHBondContact O-N 3.32Å; M133-L137 VanDerWaalsContact O-N 3.09Å; M134-L137 PolarHBondContact O-N 3.39Å; M134-L137 HydrophobicContact SD-CD1 4.13Å |
| 138 | F | 95.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.2 | -49.5 | 179.5 | -177.5 | -131 | 0 | 0 | 0 | 111.5 | F68 M134 E135 K136 R140 K141 F142 F157 V161 Y170 C233 F237 | F68-F138 HydrophobicContact CE1-CB 3.99Å; F68-F138 HydrophobicContact CZ-CB 4.35Å; F68-F138 HydrophobicContact CZ-CD2 4.32Å; M134-F138 WeakPolarHBondContact O-CB 3.48Å; M134-F138 PolarHBondContact O-N 2.91Å; E135-F138 PolarHBondContact O-N 3.38Å; K136-F138 VanDerWaalsContact C-N 3.3Å; F138-R140 VanDerWaalsContact C-N 3.27Å; F138-R140 PolarHBondContact O-N 3.26Å; F138-K141 PolarHBondContact O-N 3.45Å; F138-F142 HydrophobicContact CD2-CB 4.43Å; F138-F142 HydrophobicContact CE1-CD2 4.11Å; F138-F142 HydrophobicContact CE2-CB 4.19Å; F138-F142 HydrophobicContact CE2-CD2 4Å; F138-F142 HydrophobicContact CZ-CB 4.25Å; F138-F142 AromaticContact CZ-CD2 3.5Å; F138-F142 HydrophobicContact CZ-CD2 3.5Å; F138-F142 VanDerWaalsContact CZ-CD2 3.5Å; F138-F142 HydrophobicContact CZ-CE2 4.3Å; F138-F142 HydrophobicContact CZ-CG 4.22Å; F138-F142 VanDerWaalsContact O-CB 3.32Å; F138-F142 WeakPolarHBondContact O-CB 3.46Å; F138-F142 PolarHBondContact O-N 2.89Å; F138-F157 HydrophobicContact CD2-CE1 4.03Å; F138-F157 HydrophobicContact CE2-CE1 4.13Å; F138-V161 HydrophobicContact CE1-CG1 4.37Å; F138-V161 HydrophobicContact CE2-CB 4.28Å; F138-V161 HydrophobicContact CE2-CG1 3.97Å; F138-V161 HydrophobicContact CE2-CG2 4.23Å; F138-V161 HydrophobicContact CZ-CB 4.28Å; F138-V161 HydrophobicContact CZ-CG1 3.61Å; F138-Y170 AromaticContact CD1-CD2 3.79Å; F138-Y170 HydrophobicContact CD1-CD2 3.79Å; F138-Y170 AromaticContact CD1-CE2 3.86Å; F138-Y170 HydrophobicContact CD1-CE2 3.86Å; F138-Y170 AromaticContact CE1-CD2 3.99Å; F138-Y170 HydrophobicContact CE1-CD2 3.99Å; F138-Y170 HydrophobicContact CE1-CE2 4.5Å; F138-C233 HydrophobicContact CE1-CB 3.69Å; F138-C233 HydrophobicContact CZ-CB 4.02Å; F138-F237 HydrophobicContact CB-CD1 3.64Å; F138-F237 HydrophobicContact CB-CE1 3.68Å; F138-F237 HydrophobicContact CB-CG 4.31Å; F138-F237 HydrophobicContact CB-CZ 4.39Å; F138-F237 HydrophobicContact CD1-CB 4.02Å; F138-F237 HydrophobicContact CD1-CD1 4.09Å; F138-F237 AromaticContact CD1-CG 3.99Å; F138-F237 HydrophobicContact CD1-CG 3.99Å; F138-F237 HydrophobicContact CD2-CD1 4.39Å; F138-F237 HydrophobicContact CD2-CD2 4.3Å; F138-F237 HydrophobicContact CD2-CE1 4.42Å; F138-F237 HydrophobicContact CD2-CE2 4.32Å; F138-F237 HydrophobicContact CD2-CG 4.33Å; F138-F237 HydrophobicContact CD2-CZ 4.38Å; F138-F237 HydrophobicContact CE1-CB 4.22Å; F138-F237 HydrophobicContact CE1-CG 4.42Å; F138-F237 HydrophobicContact CE2-CD2 4.49Å; F138-F237 HydrophobicContact CG-CB 4.49Å; F138-F237 AromaticContact CG-CD1 3.79Å; F138-F237 HydrophobicContact CG-CD1 3.79Å; F138-F237 HydrophobicContact CG-CD2 4.38Å; F138-F237 HydrophobicContact CG-CE1 4.09Å; F138-F237 AromaticContact CG-CG 3.95Å; F138-F237 HydrophobicContact CG-CG 3.95Å; F138-F237 HydrophobicContact CG-CZ 4.5Å |
| 139 | S | 95.1 | Very high | 93.8 | Very high | 22 Ų | 22 | 54 Ų | 54 | 15% | 0.154 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -54.2 | -43.6 | 179.2 | 65.7 | 0 | 0 | 0 | 0 | 112.6 | E135 K136 K141 F142 Y143 | E135-S139 PolarHBondContact O-N 3.12Å; K136-S139 PolarHBondContact O-OG 3.07Å; K136-S139 VanDerWaalsContact O-OG 3.05Å; S139-K141 PolarHBondContact O-N 3.4Å; S139-F142 PolarHBondContact O-N 3.31Å; S139-Y143 WeakPolarHBondContact O-CD2 3.47Å; S139-Y143 PolarHBondContact O-N 2.8Å; S139-Y143 VanDerWaalsContact O-N 3.09Å |
| 140 | R | 93.3 | Very high | 93.7 | Very high | 153 Ų | 153 | 51.1 Ų | 51.1 | 58% | 0.577 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -60.3 | -27.1 | 178.9 | -72 | 174.3 | 175.2 | -172.9 | -4.1 | 114.2 | K136 F138 | K136-R140 WeakPolarHBondContact O-CG 3.42Å; F138-R140 VanDerWaalsContact C-N 3.27Å; F138-R140 PolarHBondContact O-N 3.26Å |
| 141 | K | 93.8 | Very high | 93.6 | Very high | 50 Ų | 50 | 51.8 Ų | 51.8 | 22% | 0.217 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -98.3 | -33.8 | 178.4 | -63.9 | -59.2 | -173.8 | -179 | 0 | 111.8 | V64 T67 F68 F138 S139 L144 | V64-K141 HydrophobicContact CG1-CB 4.03Å; V64-K141 HydrophobicContact CG1-CD 4.27Å; V64-K141 HydrophobicContact CG1-CG 4Å; V64-K141 HydrophobicContact CG2-CD 4.49Å; T67-K141 VanDerWaalsContact OG1-CE 3.23Å; T67-K141 WeakPolarHBondContact OG1-CE 3.45Å; F68-K141 HydrophobicContact CE2-CG 4.23Å; F68-K141 HydrophobicContact CZ-CB 4.33Å; F68-K141 HydrophobicContact CZ-CG 4.23Å; F138-K141 PolarHBondContact O-N 3.45Å; S139-K141 PolarHBondContact O-N 3.4Å; K141-L144 HydrophobicContact CD-CD1 4.29Å; K141-L144 WeakPolarHBondContact O-CB 3.3Å; K141-L144 PolarHBondContact O-N 3.08Å |
| 142 | F | 93.8 | Very high | 93.5 | Very high | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.009 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.1 | -47.4 | 177.7 | -175.6 | -88.9 | 0 | 0 | 0 | 111.9 | F138 S139 L144 Y145 A158 M162 G169 D175 F176 | F138-F142 HydrophobicContact CD2-CB 4.43Å; F138-F142 HydrophobicContact CE1-CD2 4.11Å; F138-F142 HydrophobicContact CE2-CB 4.19Å; F138-F142 HydrophobicContact CE2-CD2 4Å; F138-F142 HydrophobicContact CZ-CB 4.25Å; F138-F142 AromaticContact CZ-CD2 3.5Å; F138-F142 HydrophobicContact CZ-CD2 3.5Å; F138-F142 VanDerWaalsContact CZ-CD2 3.5Å; F138-F142 HydrophobicContact CZ-CE2 4.3Å; F138-F142 HydrophobicContact CZ-CG 4.22Å; F138-F142 VanDerWaalsContact O-CB 3.32Å; F138-F142 WeakPolarHBondContact O-CB 3.46Å; F138-F142 PolarHBondContact O-N 2.89Å; S139-F142 PolarHBondContact O-N 3.31Å; F142-L144 PolarHBondContact O-N 2.75Å; F142-Y145 WeakPolarHBondContact O-CB 3.32Å; F142-Y145 PolarHBondContact O-N 3.41Å; F142-A158 HydrophobicContact CD2-CB 3.98Å; F142-A158 HydrophobicContact CE2-CB 4.29Å; F142-M162 HydrophobicContact CE2-SD 4.28Å; F142-G169 VanDerWaalsContact CZ-CA 3.47Å; F142-D175 HydrophobicContact CE1-CB 4.33Å; F142-F176 AromaticContact CE1-CE1 3.94Å; F142-F176 HydrophobicContact CE1-CE1 3.94Å; F142-F176 HydrophobicContact CE1-CZ 4.38Å; F142-F176 HydrophobicContact CE2-CE1 4.34Å; F142-F176 HydrophobicContact CE2-CZ 4.49Å; F142-F176 HydrophobicContact CZ-CD1 4.41Å; F142-F176 AromaticContact CZ-CE1 3.44Å; F142-F176 HydrophobicContact CZ-CE1 3.44Å; F142-F176 VanDerWaalsContact CZ-CE1 3.44Å; F142-F176 AromaticContact CZ-CZ 3.62Å; F142-F176 HydrophobicContact CZ-CZ 3.62Å |
| 143 | Y | 92.8 | Very high | 93.4 | Very high | 99 Ų | 99 | 47.5 Ų | 47.5 | 39% | 0.388 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | 6.3 | 179.2 | -68.6 | -62.2 | 0 | 0 | 0 | 114.6 | S139 Y170 D175 | S139-Y143 WeakPolarHBondContact O-CD2 3.47Å; S139-Y143 PolarHBondContact O-N 2.8Å; S139-Y143 VanDerWaalsContact O-N 3.09Å; Y143-Y170 HydrophobicContact CE2-CD1 4.28Å; Y143-Y170 WeakPolarHBondContact OH-CD1 3.38Å; Y143-D175 HydrophobicContact CE1-CB 4.26Å |
| 144 | L | 93.1 | Very high | 93.4 | Very high | 89 Ų | 89 | 44.1 Ų | 44.1 | 47% | 0.466 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 0.9 | 168.2 | -59.7 | 175.3 | 0 | 0 | 0 | 112.3 | K141 F142 A154 | K141-L144 HydrophobicContact CD-CD1 4.29Å; K141-L144 WeakPolarHBondContact O-CB 3.3Å; K141-L144 PolarHBondContact O-N 3.08Å; F142-L144 PolarHBondContact O-N 2.75Å; L144-A154 HydrophobicContact CB-CB 3.78Å |
| 145 | Y | 93.5 | Very high | 93.4 | Very high | 5 Ų | 5 | 43.8 Ų | 43.8 | 2% | 0.02 | 21% | 0.206 | C | C | . | . | trans | -57.6 | 136.3 | 172.8 | -176.6 | -84.8 | 0 | 0 | 0 | 110.4 | F142 M148 S155 A158 M162 F176 T181 P198 P200 | F142-Y145 WeakPolarHBondContact O-CB 3.32Å; F142-Y145 PolarHBondContact O-N 3.41Å; Y145-M148 PolarHBondContact OH-N 2.86Å; Y145-S155 WeakPolarHBondContact CE2-O 3.38Å; Y145-A158 HydrophobicContact CD2-CB 3.87Å; Y145-M162 HydrophobicContact CD2-CE 4.16Å; Y145-M162 HydrophobicContact CE2-CE 3.92Å; Y145-F176 AromaticContact CD1-CD1 3.95Å; Y145-F176 HydrophobicContact CD1-CD1 3.95Å; Y145-F176 AromaticContact CD1-CE1 3.97Å; Y145-F176 HydrophobicContact CD1-CE1 3.97Å; Y145-F176 HydrophobicContact CE1-CE1 4.48Å; Y145-F176 HydrophobicContact CG-CE1 4.25Å; Y145-T181 HydrophobicContact CD1-CG2 4.25Å; Y145-T181 HydrophobicContact CE1-CG2 4.19Å; Y145-P198 HydrophobicContact CD1-CG 4.14Å; Y145-P198 HydrophobicContact CE1-CB 3.63Å; Y145-P198 HydrophobicContact CE1-CG 3.49Å; Y145-P198 VanDerWaalsContact CE1-CG 3.49Å; Y145-P198 WeakPolarHBondContact OH-CB 3.34Å; Y145-P200 HydrophobicContact CE2-CG 4.44Å | ||
| 146 | R | 93.4 | Very high | 93.3 | Very high | 140 Ų | 140 | 42.8 Ų | 42.8 | 53% | 0.528 | 20% | 0.201 | S | C | . | . | trans | -122.2 | -62.5 | 174.4 | -62.9 | -171.6 | 170.5 | -174.6 | -6.1 | 111.2 | S155 K180 T181 E182 | R146-S155 PolarHBondContact N-OG 3.3Å; R146-K180 WeakPolarHBondContact CG-O 2.83Å; R146-T181 WeakPolarHBondContact O-CA 3.36Å; R146-T181 VanDerWaalsContact O-CG2 3.3Å; R146-T181 WeakPolarHBondContact O-CG2 3.45Å; R146-E182 PolarHBondContact O-N 3.09Å | ||
| 147 | S | 92.4 | Very high | 93.3 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.007 | 18% | 0.177 | C | C | . | . | trans | -165.9 | 161 | -178.7 | 62.9 | 0 | 0 | 0 | 0 | 108.9 | S149 S150 S155 E182 | S147-S149 PolarHBondContact OG-OG 3.48Å; S147-S150 PolarHBondContact O-OG 3.22Å; S147-S150 VanDerWaalsContact OG-CB 3.3Å; S147-S150 WeakPolarHBondContact OG-CB 3.47Å; S147-S150 PolarHBondContact OG-N 2.99Å; S147-S155 WeakPolarHBondContact O-CB 3.32Å; S147-S155 PolarHBondContact O-OG 2.89Å; S147-E182 WeakPolarHBondContact CB-OE2 3.34Å; S147-E182 PolarHBondContact OG-OE2 3.19Å | ||
| 148 | M | 91.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -70.7 | -36.7 | 173.6 | -73.4 | -162.2 | -50.1 | 0 | 0 | 112.3 | I49 Y145 S150 L151 A159 D185 Y187 I199 P200 | I49-M148 HydrophobicContact CD1-CB 3.67Å; I49-M148 HydrophobicContact CD1-CE 4.23Å; I49-M148 HydrophobicContact CD1-CG 4.35Å; I49-M148 HydrophobicContact CD1-SD 4.04Å; I49-M148 HydrophobicContact CG1-CB 4.46Å; I49-M148 HydrophobicContact CG1-CE 4.43Å; Y145-M148 PolarHBondContact OH-N 2.86Å; M148-S150 VanDerWaalsContact C-N 3.28Å; M148-S150 PolarHBondContact O-N 3.21Å; M148-L151 PolarHBondContact O-N 2.99Å; M148-A159 HydrophobicContact CG-CB 3.99Å; M148-A159 HydrophobicContact SD-CB 4.1Å; M148-D185 PolarHBondContact N-OD1 3.31Å; M148-D185 PolarHBondContact N-OD2 3.43Å; M148-Y187 HydrophobicContact CE-CD2 3.09Å; M148-Y187 HydrophobicContact CE-CE2 3.62Å; M148-Y187 HydrophobicContact CE-CG 3.63Å; M148-Y187 HydrophobicContact SD-CD2 4.27Å; M148-Y187 HydrophobicContact SD-CE2 4.26Å; M148-I199 HydrophobicContact CE-CB 3.65Å; M148-I199 HydrophobicContact CE-CD1 4.07Å; M148-I199 HydrophobicContact CE-CG1 4.41Å; M148-I199 HydrophobicContact CE-CG2 3.62Å; M148-P200 HydrophobicContact CG-CG 3.65Å; M148-P200 HydrophobicContact SD-CG 3.53Å; M148-P200 VanDerWaalsContact SD-CG 3.53Å |
| 149 | S | 91.2 | Very high | 93.2 | Very high | 42 Ų | 42 | 36.1 Ų | 36.1 | 29% | 0.294 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -20.8 | 178.8 | 56.1 | 0 | 0 | 0 | 0 | 114.1 | S147 L151 D185 | S147-S149 PolarHBondContact OG-OG 3.48Å; S149-L151 PolarHBondContact O-N 3.3Å; S149-L151 VanDerWaalsContact O-N 3.11Å; S149-D185 WeakPolarHBondContact CB-OD1 3.18Å; S149-D185 PolarHBondContact N-OD1 3.38Å; S149-D185 PolarHBondContact OG-OD1 3.42Å |
| 150 | S | 91.1 | Very high | 93.1 | Very high | 40 Ų | 40 | 35.3 Ų | 35.3 | 28% | 0.28 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -19.6 | 170.8 | 69.2 | 0 | 0 | 0 | 0 | 113.5 | S147 M148 D152 | S147-S150 PolarHBondContact O-OG 3.22Å; S147-S150 VanDerWaalsContact OG-CB 3.3Å; S147-S150 WeakPolarHBondContact OG-CB 3.47Å; S147-S150 PolarHBondContact OG-N 2.99Å; M148-S150 VanDerWaalsContact C-N 3.28Å; M148-S150 PolarHBondContact O-N 3.21Å; S150-D152 PolarHBondContact O-N 3.05Å; S150-D152 PolarHBondContact OG-OD1 2.9Å |
| 151 | L | 90.8 | Very high | 93.2 | Very high | 45 Ų | 45 | 28.5 Ų | 28.5 | 24% | 0.236 | 14% | 0.141 | C | C | . | . | trans | 55.7 | 18.5 | -179.7 | -65.2 | 175.2 | 0 | 0 | 0 | 114.6 | I49 I52 V57 M148 S149 | I49-L151 HydrophobicContact CG2-CD2 3.9Å; I52-L151 HydrophobicContact CD1-CD2 4.39Å; V57-L151 HydrophobicContact CG2-CB 3.89Å; V57-L151 HydrophobicContact CG2-CD1 4.33Å; V57-L151 HydrophobicContact CG2-CD2 4.36Å; V57-L151 HydrophobicContact CG2-CG 4.44Å; M148-L151 PolarHBondContact O-N 2.99Å; S149-L151 PolarHBondContact O-N 3.3Å; S149-L151 VanDerWaalsContact O-N 3.11Å | ||
| 152 | D | 92.7 | Very high | 93.1 | Very high | 48 Ų | 48 | 26.1 Ų | 26.1 | 26% | 0.257 | 13% | 0.13 | S | C | . | . | trans | -80.1 | 155.7 | 177.5 | 87.8 | -105.7 | 0 | 0 | 0 | 111.8 | S150 A154 S155 L156 | S150-D152 PolarHBondContact O-N 3.05Å; S150-D152 PolarHBondContact OG-OD1 2.9Å; D152-A154 VanDerWaalsContact C-N 3.33Å; D152-A154 PolarHBondContact O-N 2.83Å; D152-A154 WeakPolarHBondContact OD2-CA 3.41Å; D152-A154 WeakPolarHBondContact OD2-CB 3.35Å; D152-A154 PolarHBondContact OD2-N 3.25Å; D152-S155 WeakPolarHBondContact OD1-CB 3.23Å; D152-S155 PolarHBondContact OD1-OG 3.35Å; D152-S155 PolarHBondContact OD2-N 3.38Å; D152-L156 WeakPolarHBondContact O-CB 3.34Å; D152-L156 WeakPolarHBondContact O-CG 3.11Å; D152-L156 PolarHBondContact O-N 3.2Å; D152-L156 VanDerWaalsContact O-N 3.09Å | ||
| 153 | G | 93.2 | Very high | 93 | Very high | 6 Ų | 6 | 27 Ų | 27 | 6% | 0.062 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.2 | -31.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | F157 | G153-F157 WeakPolarHBondContact O-CB 3.23Å; G153-F157 PolarHBondContact O-N 3.27Å; G153-F157 VanDerWaalsContact O-N 3.14Å |
| 154 | A | 93.8 | Very high | 92.9 | Very high | 7 Ų | 7 | 26.4 Ų | 26.4 | 6% | 0.058 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -78.1 | -44.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | V64 L144 D152 F157 A158 | V64-A154 HydrophobicContact CG2-CB 4.18Å; L144-A154 HydrophobicContact CB-CB 3.78Å; D152-A154 VanDerWaalsContact C-N 3.33Å; D152-A154 PolarHBondContact O-N 2.83Å; D152-A154 WeakPolarHBondContact OD2-CA 3.41Å; D152-A154 WeakPolarHBondContact OD2-CB 3.35Å; D152-A154 PolarHBondContact OD2-N 3.25Å; A154-F157 PolarHBondContact O-N 3.12Å; A154-A158 WeakPolarHBondContact O-CB 3.29Å; A154-A158 PolarHBondContact O-N 3.03Å |
| 155 | S | 94.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.1 | -48.5 | 176.8 | -61.3 | 0 | 0 | 0 | 0 | 112 | Y145 R146 S147 D152 F157 A158 A159 | Y145-S155 WeakPolarHBondContact CE2-O 3.38Å; R146-S155 PolarHBondContact N-OG 3.3Å; S147-S155 WeakPolarHBondContact O-CB 3.32Å; S147-S155 PolarHBondContact O-OG 2.89Å; D152-S155 WeakPolarHBondContact OD1-CB 3.23Å; D152-S155 PolarHBondContact OD1-OG 3.35Å; D152-S155 PolarHBondContact OD2-N 3.38Å; S155-F157 PolarHBondContact O-N 3.03Å; S155-A158 PolarHBondContact O-N 3.17Å; S155-A159 WeakPolarHBondContact O-CB 3.39Å; S155-A159 PolarHBondContact O-N 3.45Å |
| 156 | L | 94.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68.1 | -36.3 | 178.8 | -67.8 | 174.7 | 0 | 0 | 0 | 113.1 | L44 L47 I49 I52 V57 V61 D152 A159 V160 | L44-L156 HydrophobicContact CD2-CB 4.11Å; L47-L156 HydrophobicContact CD1-CD2 4.11Å; I49-L156 HydrophobicContact CD1-CD2 4.05Å; I52-L156 HydrophobicContact CD1-CD1 3.83Å; I52-L156 HydrophobicContact CD1-CD2 3.91Å; V57-L156 HydrophobicContact CG1-CD1 3.12Å; V61-L156 HydrophobicContact CG2-CB 3.78Å; V61-L156 HydrophobicContact CG2-CD1 4.11Å; D152-L156 WeakPolarHBondContact O-CB 3.34Å; D152-L156 WeakPolarHBondContact O-CG 3.11Å; D152-L156 PolarHBondContact O-N 3.2Å; D152-L156 VanDerWaalsContact O-N 3.09Å; L156-A159 PolarHBondContact O-N 2.95Å; L156-V160 WeakPolarHBondContact O-CG2 3.46Å; L156-V160 PolarHBondContact O-N 2.77Å |
| 157 | F | 94.5 | Very high | 92.6 | Very high | 9 Ų | 9 | 23.7 Ų | 23.7 | 4% | 0.039 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.9 | -45.6 | 174.7 | 175.4 | -103.6 | 0 | 0 | 0 | 111.4 | V64 L65 F68 F138 G153 A154 S155 A159 V160 V161 F237 | V64-F157 HydrophobicContact CB-CB 4.37Å; V64-F157 HydrophobicContact CG1-CB 3.81Å; V64-F157 HydrophobicContact CG1-CD1 3.54Å; V64-F157 HydrophobicContact CG1-CD2 4.42Å; V64-F157 HydrophobicContact CG1-CE1 4.22Å; V64-F157 HydrophobicContact CG1-CG 3.65Å; L65-F157 HydrophobicContact CD1-CD2 4.39Å; L65-F157 HydrophobicContact CD1-CE2 3.74Å; L65-F157 HydrophobicContact CD1-CZ 4.49Å; F68-F157 HydrophobicContact CD2-CE1 4.29Å; F68-F157 HydrophobicContact CD2-CZ 4.03Å; F68-F157 HydrophobicContact CE2-CD1 4.22Å; F68-F157 AromaticContact CE2-CE1 3.44Å; F68-F157 HydrophobicContact CE2-CE1 3.44Å; F68-F157 VanDerWaalsContact CE2-CE1 3.44Å; F68-F157 AromaticContact CE2-CZ 3.63Å; F68-F157 HydrophobicContact CE2-CZ 3.63Å; F68-F157 AromaticContact CZ-CE1 3.63Å; F68-F157 HydrophobicContact CZ-CE1 3.63Å; F68-F157 HydrophobicContact CZ-CZ 4.02Å; F138-F157 HydrophobicContact CD2-CE1 4.03Å; F138-F157 HydrophobicContact CE2-CE1 4.13Å; G153-F157 WeakPolarHBondContact O-CB 3.23Å; G153-F157 PolarHBondContact O-N 3.27Å; G153-F157 VanDerWaalsContact O-N 3.14Å; A154-F157 PolarHBondContact O-N 3.12Å; S155-F157 PolarHBondContact O-N 3.03Å; F157-A159 VanDerWaalsContact C-N 3.33Å; F157-V160 PolarHBondContact O-N 3.33Å; F157-V161 HydrophobicContact CD1-CG2 4.43Å; F157-V161 HydrophobicContact CE1-CG2 3.99Å; F157-V161 HydrophobicContact CE2-CG2 4.13Å; F157-V161 HydrophobicContact CZ-CG2 3.84Å; F157-V161 WeakPolarHBondContact O-CG2 3.29Å; F157-V161 PolarHBondContact O-N 2.76Å; F157-F237 HydrophobicContact CE1-CE2 4.41Å; F157-F237 AromaticContact CZ-CE2 3.86Å; F157-F237 HydrophobicContact CZ-CE2 3.86Å; F157-F237 HydrophobicContact CZ-CZ 4.14Å |
| 158 | A | 94.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.5 | -38 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | F142 Y145 A154 S155 V161 M162 | F142-A158 HydrophobicContact CD2-CB 3.98Å; F142-A158 HydrophobicContact CE2-CB 4.29Å; Y145-A158 HydrophobicContact CD2-CB 3.87Å; A154-A158 WeakPolarHBondContact O-CB 3.29Å; A154-A158 PolarHBondContact O-N 3.03Å; S155-A158 PolarHBondContact O-N 3.17Å; A158-V161 PolarHBondContact O-N 3.31Å; A158-M162 HydrophobicContact CB-CE 4.43Å; A158-M162 WeakPolarHBondContact O-CG 3.41Å; A158-M162 PolarHBondContact O-N 3.45Å |
| 159 | A | 93.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57.7 | -50.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | M148 S155 L156 F157 V161 M162 I163 P200 | M148-A159 HydrophobicContact CG-CB 3.99Å; M148-A159 HydrophobicContact SD-CB 4.1Å; S155-A159 WeakPolarHBondContact O-CB 3.39Å; S155-A159 PolarHBondContact O-N 3.45Å; L156-A159 PolarHBondContact O-N 2.95Å; F157-A159 VanDerWaalsContact C-N 3.33Å; A159-V161 VanDerWaalsContact C-N 3.3Å; A159-V161 PolarHBondContact O-N 3.24Å; A159-M162 PolarHBondContact O-N 2.79Å; A159-I163 WeakPolarHBondContact O-CD1 3.48Å; A159-I163 VanDerWaalsContact O-CG1 3.27Å; A159-I163 WeakPolarHBondContact O-CG1 3.21Å; A159-I163 PolarHBondContact O-N 2.84Å; A159-P200 HydrophobicContact CB-CB 3.94Å; A159-P200 HydrophobicContact CB-CG 3.41Å; A159-P200 VanDerWaalsContact CB-CG 3.41Å |
| 160 | V | 93.5 | Very high | 92.8 | Very high | 5 Ų | 5 | 22.6 Ų | 22.6 | 3% | 0.03 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -56.2 | -46.5 | 174.4 | 166 | 0 | 0 | 0 | 0 | 110.9 | V40 T43 L44 L156 F157 I163 D164 | V40-V160 HydrophobicContact CG1-CB 4.16Å; V40-V160 HydrophobicContact CG1-CG1 3.6Å; V40-V160 HydrophobicContact CG1-CG2 3.78Å; T43-V160 HydrophobicContact CG2-CG1 4.04Å; T43-V160 HydrophobicContact CG2-CG2 4.08Å; L44-V160 HydrophobicContact CD2-CG2 3.67Å; L44-V160 HydrophobicContact CG-CG2 4.24Å; L156-V160 WeakPolarHBondContact O-CG2 3.46Å; L156-V160 PolarHBondContact O-N 2.77Å; F157-V160 PolarHBondContact O-N 3.33Å; V160-I163 PolarHBondContact O-N 2.9Å; V160-D164 WeakPolarHBondContact CG1-OD2 3.09Å; V160-D164 VanDerWaalsContact O-CB 3.26Å; V160-D164 WeakPolarHBondContact O-CB 3.5Å; V160-D164 PolarHBondContact O-N 3.32Å |
| 161 | V | 94 | Very high | 92.9 | Very high | 10 Ų | 10 | 25.2 Ų | 25.2 | 6% | 0.061 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.5 | -45.7 | -179.1 | 170.9 | 0 | 0 | 0 | 0 | 111.3 | F138 F157 A158 A159 L165 C233 F237 | F138-V161 HydrophobicContact CE1-CG1 4.37Å; F138-V161 HydrophobicContact CE2-CB 4.28Å; F138-V161 HydrophobicContact CE2-CG1 3.97Å; F138-V161 HydrophobicContact CE2-CG2 4.23Å; F138-V161 HydrophobicContact CZ-CB 4.28Å; F138-V161 HydrophobicContact CZ-CG1 3.61Å; F157-V161 HydrophobicContact CD1-CG2 4.43Å; F157-V161 HydrophobicContact CE1-CG2 3.99Å; F157-V161 HydrophobicContact CE2-CG2 4.13Å; F157-V161 HydrophobicContact CZ-CG2 3.84Å; F157-V161 WeakPolarHBondContact O-CG2 3.29Å; F157-V161 PolarHBondContact O-N 2.76Å; A158-V161 PolarHBondContact O-N 3.31Å; A159-V161 VanDerWaalsContact C-N 3.3Å; A159-V161 PolarHBondContact O-N 3.24Å; V161-L165 HydrophobicContact CG1-CD1 3.82Å; V161-L165 HydrophobicContact CG1-CG 4.37Å; V161-L165 VanDerWaalsContact O-CB 3.22Å; V161-L165 WeakPolarHBondContact O-CB 3.11Å; V161-L165 WeakPolarHBondContact O-CG 3.29Å; V161-L165 PolarHBondContact O-N 2.6Å; V161-C233 HydrophobicContact CG1-CB 4.28Å; V161-F237 HydrophobicContact CG1-CD2 3.89Å; V161-F237 HydrophobicContact CG2-CD2 4.04Å; V161-F237 HydrophobicContact CG2-CE2 4.04Å |
| 162 | M | 93.1 | Very high | 92.7 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.1 | -46 | 178.1 | -74.1 | -172.5 | -79.2 | 0 | 0 | 111.6 | F142 Y145 A158 A159 K166 C167 F176 P200 C201 | F142-M162 HydrophobicContact CE2-SD 4.28Å; Y145-M162 HydrophobicContact CD2-CE 4.16Å; Y145-M162 HydrophobicContact CE2-CE 3.92Å; A158-M162 HydrophobicContact CB-CE 4.43Å; A158-M162 WeakPolarHBondContact O-CG 3.41Å; A158-M162 PolarHBondContact O-N 3.45Å; A159-M162 PolarHBondContact O-N 2.79Å; M162-K166 WeakPolarHBondContact O-CA 3.31Å; M162-K166 PolarHBondContact O-N 2.97Å; M162-C167 WeakPolarHBondContact CA-O 3.47Å; M162-C167 WeakPolarHBondContact CB-O 3.39Å; M162-C167 PolarHBondContact O-N 2.8Å; M162-C167 VanDerWaalsContact O-N 3.11Å; M162-F176 HydrophobicContact CE-CE1 4.48Å; M162-F176 HydrophobicContact CE-CZ 4.28Å; M162-F176 HydrophobicContact SD-CZ 3.81Å; M162-P200 HydrophobicContact CB-CB 3.88Å; M162-P200 HydrophobicContact CE-CB 3.61Å; M162-P200 HydrophobicContact CE-CG 3.87Å; M162-P200 HydrophobicContact SD-CB 4.27Å; M162-C201 VanDerWaalsContact SD-SG 3.69Å |
| 163 | I | 91.6 | Very high | 92.3 | Very high | 21 Ų | 21 | 23.8 Ų | 23.8 | 11% | 0.108 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -69.4 | -49.8 | -179.2 | -62.1 | 161 | 0 | 0 | 0 | 111.5 | L47 A159 V160 L165 K166 P200 M204 F208 | L47-I163 HydrophobicContact CD2-CD1 3.67Å; A159-I163 WeakPolarHBondContact O-CD1 3.48Å; A159-I163 VanDerWaalsContact O-CG1 3.27Å; A159-I163 WeakPolarHBondContact O-CG1 3.21Å; A159-I163 PolarHBondContact O-N 2.84Å; V160-I163 PolarHBondContact O-N 2.9Å; I163-L165 PolarHBondContact O-N 3.48Å; I163-K166 PolarHBondContact O-N 3.39Å; I163-P200 HydrophobicContact CD1-CB 4.26Å; I163-P200 HydrophobicContact CG1-CB 4.06Å; I163-M204 HydrophobicContact CD1-CE 3.97Å; I163-M204 HydrophobicContact CD1-SD 3.69Å; I163-M204 HydrophobicContact CG1-CE 4.31Å; I163-M204 HydrophobicContact CG1-SD 3.94Å; I163-M204 HydrophobicContact CG2-SD 4.23Å; I163-F208 HydrophobicContact CB-CE1 4.14Å; I163-F208 HydrophobicContact CD1-CD1 4.09Å; I163-F208 HydrophobicContact CD1-CE1 4.17Å; I163-F208 HydrophobicContact CG2-CD1 3.82Å; I163-F208 HydrophobicContact CG2-CE1 3.32Å; I163-F208 HydrophobicContact CG2-CZ 3.92Å |
| 164 | D | 90.7 | Very high | 91.8 | Very high | 86 Ų | 86 | 30.6 Ų | 30.6 | 46% | 0.46 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -68.6 | -36.1 | -175.8 | -79.8 | -13.9 | 0 | 0 | 0 | 112.1 | V160 | V160-D164 WeakPolarHBondContact CG1-OD2 3.09Å; V160-D164 VanDerWaalsContact O-CB 3.26Å; V160-D164 WeakPolarHBondContact O-CB 3.5Å; V160-D164 PolarHBondContact O-N 3.32Å |
| 165 | L | 91.9 | Very high | 91.6 | Very high | 39 Ų | 39 | 31.6 Ų | 31.6 | 20% | 0.204 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -94.6 | -2.3 | 179.8 | -57.7 | -174.3 | 0 | 0 | 0 | 113.7 | V161 I163 C167 L236 F237 K240 | V161-L165 HydrophobicContact CG1-CD1 3.82Å; V161-L165 HydrophobicContact CG1-CG 4.37Å; V161-L165 VanDerWaalsContact O-CB 3.22Å; V161-L165 WeakPolarHBondContact O-CB 3.11Å; V161-L165 WeakPolarHBondContact O-CG 3.29Å; V161-L165 PolarHBondContact O-N 2.6Å; I163-L165 PolarHBondContact O-N 3.48Å; L165-C167 PolarHBondContact O-N 3.26Å; L165-L236 HydrophobicContact CB-CB 4.4Å; L165-L236 HydrophobicContact CD1-CB 4.12Å; L165-F237 HydrophobicContact CD1-CB 3.99Å; L165-F237 HydrophobicContact CD1-CD2 4.36Å; L165-K240 HydrophobicContact CD2-CB 4.32Å; L165-K240 HydrophobicContact CD2-CG 4.24Å |
| 166 | K | 90.1 | Very high | 91.1 | Very high | 137 Ų | 137 | 32.6 Ų | 32.6 | 60% | 0.596 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56 | 52.2 | 175.8 | -71.6 | -175.2 | -179.6 | -170 | 0 | 111.8 | M162 I163 H228 | M162-K166 WeakPolarHBondContact O-CA 3.31Å; M162-K166 PolarHBondContact O-N 2.97Å; I163-K166 PolarHBondContact O-N 3.39Å; K166-H228 WeakPolarHBondContact CB-CE1 2.96Å |
| 167 | C | 91.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -140 | 159.2 | -173.7 | 59.7 | 0 | 0 | 0 | 0 | 110.2 | M162 L165 K231 C233 L236 | M162-C167 WeakPolarHBondContact CA-O 3.47Å; M162-C167 WeakPolarHBondContact CB-O 3.39Å; M162-C167 PolarHBondContact O-N 2.8Å; M162-C167 VanDerWaalsContact O-N 3.11Å; L165-C167 PolarHBondContact O-N 3.26Å; C167-K231 CarbonylContact C-O 3.6Å; C167-K231 VanDerWaalsContact CA-O 3.29Å; C167-K231 WeakPolarHBondContact CA-O 3.35Å; C167-K231 VanDerWaalsContact CB-O 3.22Å; C167-K231 WeakPolarHBondContact CB-O 3.37Å; C167-C233 VanDerWaalsContact C-SG 3.51Å; C167-C233 HydrophobicContact CB-CB 3.98Å; C167-C233 WeakPolarHBondContact CB-SG 3.44Å; C167-C233 WeakPolarHBondContact SG-CA 3.3Å; C167-C233 WeakPolarHBondContact SG-CB 3.43Å; C167-C233 CovalentContact SG-SG 2.02Å; C167-C233 PolarHBondContact SG-SG 2.93Å; C167-L236 HydrophobicContact CB-CD1 3.74Å | ||
| 168 | C | 91.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -134 | 133.9 | 179.6 | -177.7 | 0 | 0 | 0 | 0 | 110.4 | N172 P173 C201 H229 K231 | C168-N172 CarbonylContact O-C 3.59Å; C168-P173 HydrophobicContact CB-CG 4.13Å; C168-C201 VanDerWaalsContact CA-SG 3.51Å; C168-C201 HydrophobicContact CB-CB 3.61Å; C168-C201 WeakPolarHBondContact CB-SG 3.47Å; C168-C201 WeakPolarHBondContact SG-CB 3.14Å; C168-C201 CovalentContact SG-SG 2.03Å; C168-C201 PolarHBondContact SG-SG 2.87Å; C168-H229 HydrophobicContact CB-CB 4.45Å; C168-K231 PolarHBondContact N-O 3.26Å | ||
| 169 | G | 91.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.25 | C | S | . | . | S | Bend | trans | 73.5 | 178.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114 | F142 N172 C233 | F142-G169 VanDerWaalsContact CZ-CA 3.47Å; G169-N172 VanDerWaalsContact CA-O 3.29Å; G169-N172 WeakPolarHBondContact CA-O 3.4Å; G169-C233 VanDerWaalsContact O-CB 3.24Å; G169-C233 WeakPolarHBondContact O-CB 3.32Å; G169-C233 PolarHBondContact O-N 3.4Å; G169-C233 PolarHBondContact O-SG 3.46Å; G169-C233 VanDerWaalsContact O-SG 3.34Å |
| 170 | Y | 94.3 | Very high | 87.5 | Confident | 21 Ų | 21 | 54.8 Ų | 54.8 | 8% | 0.082 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -78.7 | -56.9 | 173.2 | 178.3 | -115.1 | 0 | 0 | 0 | 110.3 | E135 F138 Y143 D175 G232 C233 K234 | E135-Y170 PolarHBondContact O-OH 3.32Å; E135-Y170 VanDerWaalsContact O-OH 3.12Å; F138-Y170 AromaticContact CD1-CD2 3.79Å; F138-Y170 HydrophobicContact CD1-CD2 3.79Å; F138-Y170 AromaticContact CD1-CE2 3.86Å; F138-Y170 HydrophobicContact CD1-CE2 3.86Å; F138-Y170 AromaticContact CE1-CD2 3.99Å; F138-Y170 HydrophobicContact CE1-CD2 3.99Å; F138-Y170 HydrophobicContact CE1-CE2 4.5Å; Y143-Y170 HydrophobicContact CE2-CD1 4.28Å; Y143-Y170 WeakPolarHBondContact OH-CD1 3.38Å; Y170-D175 WeakPolarHBondContact CA-OD2 3.09Å; Y170-D175 PolarHBondContact N-OD2 3.35Å; Y170-G232 CarbonylContact O-C 3.47Å; Y170-G232 WeakPolarHBondContact O-CA 3.26Å; Y170-C233 PolarHBondContact O-N 3.23Å; Y170-C233 VanDerWaalsContact O-N 3.09Å; Y170-K234 HydrophobicContact CD2-CB 3.91Å; Y170-K234 HydrophobicContact CD2-CG 4.47Å; Y170-K234 HydrophobicContact CE1-CB 4.31Å; Y170-K234 HydrophobicContact CE1-CD 3.73Å; Y170-K234 HydrophobicContact CE1-CG 4.17Å; Y170-K234 HydrophobicContact CE2-CB 3.65Å; Y170-K234 HydrophobicContact CE2-CD 4.22Å; Y170-K234 HydrophobicContact CE2-CG 3.73Å; Y170-K234 HydrophobicContact CG-CB 4.34Å; Y170-K234 WeakPolarHBondContact O-CB 3.43Å; Y170-K234 PolarHBondContact O-N 2.03Å; Y170-K234 WeakPolarHBondContact OH-CD 3.27Å; Y170-K234 WeakPolarHBondContact OH-CE 3.33Å |
| 171 | L | 92.7 | Very high | 87 | Confident | 94 Ų | 94 | 55.9 Ų | 55.9 | 49% | 0.492 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -96.7 | -40.6 | 168.9 | -60.4 | 174.6 | 0 | 0 | 0 | 112.4 | D175 G232 K234 | L171-D175 WeakPolarHBondContact CA-OD2 3.45Å; L171-D175 PolarHBondContact N-OD2 2.87Å; L171-G232 VanDerWaalsContact C-CA 3.46Å; L171-G232 WeakPolarHBondContact O-CA 3.38Å; L171-G232 PolarHBondContact O-N 3.31Å; L171-K234 HydrophobicContact CD2-CD 3.61Å |
| 172 | N | 88.1 | Confident | 86.5 | Confident | 59 Ų | 59 | 59.3 Ų | 59.3 | 32% | 0.316 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -163.6 | 169.1 | -174.6 | 67.3 | 72.2 | 0 | 0 | 0 | 112 | C168 G169 F174 D175 | C168-N172 CarbonylContact O-C 3.59Å; G169-N172 VanDerWaalsContact CA-O 3.29Å; G169-N172 WeakPolarHBondContact CA-O 3.4Å; N172-F174 PolarHBondContact O-N 2.95Å; N172-F174 WeakPolarHBondContact OD1-CA 3.42Å; N172-F174 WeakPolarHBondContact OD1-CB 3.07Å; N172-F174 WeakPolarHBondContact OD1-CD2 3.33Å; N172-F174 PolarHBondContact OD1-N 3.48Å; N172-D175 PolarHBondContact N-OD2 3.29Å; N172-D175 VanDerWaalsContact O-CG 3.29Å; N172-D175 PolarHBondContact O-N 3.21Å; N172-D175 VanDerWaalsContact O-N 3.15Å |
| 173 | P | 83.4 | Confident | 86 | Confident | 4 Ų | 4 | 62.3 Ų | 62.3 | 3% | 0.026 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -13.3 | -175.6 | -26.3 | 36.4 | 0 | 0 | 0 | 116.7 | C168 F176 L197 F218 H229 | C168-P173 HydrophobicContact CB-CG 4.13Å; P173-F176 VanDerWaalsContact O-CD2 3.24Å; P173-F176 WeakPolarHBondContact O-CD2 3.41Å; P173-L197 HydrophobicContact CB-CD2 4.31Å; P173-F218 HydrophobicContact CB-CZ 4.5Å; P173-H229 VanDerWaalsContact CD-O 3.24Å; P173-H229 WeakPolarHBondContact CD-O 3.16Å; P173-H229 HydrophobicContact CG-CB 3.71Å; P173-H229 WeakPolarHBondContact CG-O 3.04Å |
| 174 | F | 83.6 | Confident | 85.8 | Confident | 150 Ų | 150 | 64.9 Ų | 64.9 | 66% | 0.658 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | 11.6 | -178.1 | -50.3 | -72.8 | 0 | 0 | 0 | 113 | N172 F176 F218 | N172-F174 PolarHBondContact O-N 2.95Å; N172-F174 WeakPolarHBondContact OD1-CA 3.42Å; N172-F174 WeakPolarHBondContact OD1-CB 3.07Å; N172-F174 WeakPolarHBondContact OD1-CD2 3.33Å; N172-F174 PolarHBondContact OD1-N 3.48Å; F174-F176 PolarHBondContact O-N 2.84Å; F174-F218 HydrophobicContact CE1-CE2 4.23Å; F174-F218 AromaticContact CE1-CZ 3.94Å; F174-F218 HydrophobicContact CE1-CZ 3.94Å; F174-F218 HydrophobicContact CZ-CZ 4.1Å |
| 175 | D | 87.7 | Confident | 85.7 | Confident | 27 Ų | 27 | 61.1 Ų | 61.1 | 14% | 0.144 | 31% | 0.309 | C | S | . | . | trans | -75.8 | -5.6 | 176.5 | -69.1 | -49.1 | 0 | 0 | 0 | 114.2 | F142 Y143 Y170 L171 N172 | F142-D175 HydrophobicContact CE1-CB 4.33Å; Y143-D175 HydrophobicContact CE1-CB 4.26Å; Y170-D175 WeakPolarHBondContact CA-OD2 3.09Å; Y170-D175 PolarHBondContact N-OD2 3.35Å; L171-D175 WeakPolarHBondContact CA-OD2 3.45Å; L171-D175 PolarHBondContact N-OD2 2.87Å; N172-D175 PolarHBondContact N-OD2 3.29Å; N172-D175 VanDerWaalsContact O-CG 3.29Å; N172-D175 PolarHBondContact O-N 3.21Å; N172-D175 VanDerWaalsContact O-N 3.15Å | ||
| 176 | F | 84.9 | Confident | 85.6 | Confident | 21 Ų | 21 | 63 Ų | 63 | 9% | 0.092 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -78.8 | 124.3 | 178.5 | -58.5 | -71.4 | 0 | 0 | 0 | 108.8 | F142 Y145 M162 P173 F174 T181 P198 | F142-F176 AromaticContact CE1-CE1 3.94Å; F142-F176 HydrophobicContact CE1-CE1 3.94Å; F142-F176 HydrophobicContact CE1-CZ 4.38Å; F142-F176 HydrophobicContact CE2-CE1 4.34Å; F142-F176 HydrophobicContact CE2-CZ 4.49Å; F142-F176 HydrophobicContact CZ-CD1 4.41Å; F142-F176 AromaticContact CZ-CE1 3.44Å; F142-F176 HydrophobicContact CZ-CE1 3.44Å; F142-F176 VanDerWaalsContact CZ-CE1 3.44Å; F142-F176 AromaticContact CZ-CZ 3.62Å; F142-F176 HydrophobicContact CZ-CZ 3.62Å; Y145-F176 AromaticContact CD1-CD1 3.95Å; Y145-F176 HydrophobicContact CD1-CD1 3.95Å; Y145-F176 AromaticContact CD1-CE1 3.97Å; Y145-F176 HydrophobicContact CD1-CE1 3.97Å; Y145-F176 HydrophobicContact CE1-CE1 4.48Å; Y145-F176 HydrophobicContact CG-CE1 4.25Å; M162-F176 HydrophobicContact CE-CE1 4.48Å; M162-F176 HydrophobicContact CE-CZ 4.28Å; M162-F176 HydrophobicContact SD-CZ 3.81Å; P173-F176 VanDerWaalsContact O-CD2 3.24Å; P173-F176 WeakPolarHBondContact O-CD2 3.41Å; F174-F176 PolarHBondContact O-N 2.84Å; F176-T181 HydrophobicContact CB-CG2 4.23Å; F176-P198 HydrophobicContact CD1-CG 3.62Å; F176-P198 HydrophobicContact CD2-CG 3.74Å; F176-P198 HydrophobicContact CE1-CG 3.51Å; F176-P198 HydrophobicContact CE2-CG 3.63Å; F176-P198 HydrophobicContact CG-CG 3.74Å; F176-P198 HydrophobicContact CZ-CB 4.42Å; F176-P198 HydrophobicContact CZ-CG 3.49Å; F176-P198 VanDerWaalsContact CZ-CG 3.49Å |
| 177 | D | 76.7 | Confident | 85.7 | Confident | 65 Ų | 65 | 56.4 Ų | 56.4 | 35% | 0.348 | 29% | 0.288 | S | S | . | . | trans | -82.3 | 117.8 | -179.7 | -177 | -4.6 | 0 | 0 | 0 | 107.9 | D179 K180 T181 | D177-D179 PolarHBondContact O-N 3.09Å; D177-D179 VanDerWaalsContact O-N 3.14Å; D177-D179 PolarHBondContact OD1-N 3.17Å; D177-K180 HydrophobicContact CB-CB 4.29Å; D177-K180 HydrophobicContact CB-CG 4.37Å; D177-K180 PolarHBondContact O-N 2.77Å; D177-K180 IonicContact OD2-NZ 2.68Å; D177-K180 PolarHBondContact OD2-NZ 2.68Å; D177-T181 WeakPolarHBondContact O-CB 3.46Å; D177-T181 PolarHBondContact O-N 2.95Å; D177-T181 PolarHBondContact O-OG1 2.9Å | ||
| 178 | D | 71 | Confident | 85.7 | Confident | 147 Ų | 147 | 58.8 Ų | 58.8 | 79% | 0.786 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -28.3 | -177.8 | -65.5 | -20.8 | 0 | 0 | 0 | 111.9 | K180 | D178-K180 VanDerWaalsContact C-N 3.32Å; D178-K180 PolarHBondContact O-N 2.98Å |
| 179 | D | 74.6 | Confident | 85.4 | Confident | 158 Ų | 158 | 61.8 Ų | 61.8 | 85% | 0.845 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -16.7 | 178.8 | -73.5 | -24.6 | 0 | 0 | 0 | 113.3 | D177 | D177-D179 PolarHBondContact O-N 3.09Å; D177-D179 VanDerWaalsContact O-N 3.14Å; D177-D179 PolarHBondContact OD1-N 3.17Å |
| 180 | K | 79.9 | Confident | 85.3 | Confident | 106 Ų | 106 | 67 Ų | 67 | 46% | 0.461 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.8 | -32.2 | -176.6 | -64 | -166.8 | -172.1 | 90.6 | 0 | 113.4 | R146 D177 D178 | R146-K180 WeakPolarHBondContact CG-O 2.83Å; D177-K180 HydrophobicContact CB-CB 4.29Å; D177-K180 HydrophobicContact CB-CG 4.37Å; D177-K180 PolarHBondContact O-N 2.77Å; D177-K180 IonicContact OD2-NZ 2.68Å; D177-K180 PolarHBondContact OD2-NZ 2.68Å; D178-K180 VanDerWaalsContact C-N 3.32Å; D178-K180 PolarHBondContact O-N 2.98Å |
| 181 | T | 82.4 | Confident | 85 | Confident | 27 Ų | 27 | 70.8 Ų | 70.8 | 17% | 0.166 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -84 | 126.8 | -177 | -48.5 | 0 | 0 | 0 | 0 | 107.6 | Y145 R146 F176 D177 S183 P198 | Y145-T181 HydrophobicContact CD1-CG2 4.25Å; Y145-T181 HydrophobicContact CE1-CG2 4.19Å; R146-T181 WeakPolarHBondContact O-CA 3.36Å; R146-T181 VanDerWaalsContact O-CG2 3.3Å; R146-T181 WeakPolarHBondContact O-CG2 3.45Å; F176-T181 HydrophobicContact CB-CG2 4.23Å; D177-T181 WeakPolarHBondContact O-CB 3.46Å; D177-T181 PolarHBondContact O-N 2.95Å; D177-T181 PolarHBondContact O-OG1 2.9Å; T181-S183 PolarHBondContact O-N 3.23Å; T181-P198 HydrophobicContact CG2-CG 4.41Å |
| 182 | E | 85.1 | Confident | 84.8 | Confident | 83 Ų | 83 | 67.3 Ų | 67.3 | 39% | 0.388 | 36% | 0.362 | S | S | . | . | trans | -72.3 | 128.1 | 178.4 | -61.8 | 173.6 | 173 | 0 | 0 | 108.1 | R146 S147 N184 | R146-E182 PolarHBondContact O-N 3.09Å; S147-E182 WeakPolarHBondContact CB-OE2 3.34Å; S147-E182 PolarHBondContact OG-OE2 3.19Å; E182-N184 PolarHBondContact O-N 3.48Å | ||
| 183 | S | 81.9 | Confident | 84.7 | Confident | 64 Ų | 64 | 68.6 Ų | 68.6 | 45% | 0.448 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -68.8 | -13.9 | 178.9 | 61.4 | 0 | 0 | 0 | 0 | 112.8 | T181 D194 L195 | T181-S183 PolarHBondContact O-N 3.23Å; S183-D194 PolarHBondContact O-N 3.28Å; S183-D194 VanDerWaalsContact O-N 3.14Å; S183-L195 VanDerWaalsContact O-CB 3.28Å; S183-L195 WeakPolarHBondContact O-CB 3.4Å; S183-L195 WeakPolarHBondContact O-CG 3.24Å; S183-L195 PolarHBondContact O-N 3.42Å |
| 184 | N | 86.7 | Confident | 84.7 | Confident | 74 Ų | 74 | 74.7 Ų | 74.7 | 40% | 0.396 | 40% | 0.401 | S | S | . | . | trans | -122.6 | 133.8 | -179.7 | -56.1 | 11 | 0 | 0 | 0 | 108.5 | E182 Y192 D193 | E182-N184 PolarHBondContact O-N 3.48Å; N184-Y192 CarbonylContact C-O 3.51Å; N184-Y192 WeakPolarHBondContact CA-O 3.46Å; N184-D193 VanDerWaalsContact CG-OD1 3.31Å; N184-D193 PolarHBondContact ND2-OD1 3.49Å | ||
| 185 | D | 90 | Very high | 84.7 | Confident | 8 Ų | 8 | 68.6 Ų | 68.6 | 4% | 0.043 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 158.4 | 179.7 | -158.4 | 2 | 0 | 0 | 0 | 109.9 | M148 S149 Y192 L195 I199 | M148-D185 PolarHBondContact N-OD1 3.31Å; M148-D185 PolarHBondContact N-OD2 3.43Å; S149-D185 WeakPolarHBondContact CB-OD1 3.18Å; S149-D185 PolarHBondContact N-OD1 3.38Å; S149-D185 PolarHBondContact OG-OD1 3.42Å; D185-Y192 PolarHBondContact N-O 3.34Å; D185-Y192 PolarHBondContact O-N 2.92Å; D185-L195 HydrophobicContact CB-CD1 3.49Å; D185-L195 VanDerWaalsContact CB-CD1 3.49Å; D185-I199 HydrophobicContact CB-CD1 3.8Å; D185-I199 HydrophobicContact CB-CG1 4.43Å |
| 186 | E | 90 | Very high | 84.1 | Confident | 77 Ų | 77 | 72.6 Ų | 72.6 | 36% | 0.36 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 129.6 | -179.8 | -169.6 | -176.3 | 160.3 | 0 | 0 | 110.4 | H190 T191 | E186-H190 WeakPolarHBondContact CA-O 3.29Å; E186-T191 HydrophobicContact CG-CG2 4.3Å |
| 187 | Y | 91.4 | Very high | 84.1 | Confident | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 134.8 | 175.3 | -167.7 | -112.1 | 0 | 0 | 0 | 112 | L47 R48 I49 M148 G189 H190 I199 M204 F208 L210 | L47-Y187 HydrophobicContact CD2-CE2 4.46Å; R48-Y187 HydrophobicContact CB-CE2 4.3Å; I49-Y187 HydrophobicContact CD1-CD2 4.4Å; I49-Y187 HydrophobicContact CD1-CE2 4.45Å; I49-Y187 HydrophobicContact CG1-CD2 3.7Å; I49-Y187 HydrophobicContact CG1-CE2 4Å; M148-Y187 HydrophobicContact CE-CD2 3.09Å; M148-Y187 HydrophobicContact CE-CE2 3.62Å; M148-Y187 HydrophobicContact CE-CG 3.63Å; M148-Y187 HydrophobicContact SD-CD2 4.27Å; M148-Y187 HydrophobicContact SD-CE2 4.26Å; Y187-G189 PolarHBondContact O-N 3.07Å; Y187-H190 PolarHBondContact N-O 3.39Å; Y187-H190 WeakPolarHBondContact O-CB 3.36Å; Y187-H190 PolarHBondContact O-N 3.26Å; Y187-I199 HydrophobicContact CD1-CG2 3.96Å; Y187-I199 HydrophobicContact CG-CG2 3.95Å; Y187-M204 HydrophobicContact CE1-CE 3.78Å; Y187-M204 HydrophobicContact CE1-SD 4.46Å; Y187-F208 WeakPolarHBondContact CE1-O 3.35Å; Y187-F208 PolarHBondContact OH-O 2.82Å; Y187-L210 HydrophobicContact CD1-CD1 4.1Å; Y187-L210 HydrophobicContact CD1-CG 4.19Å; Y187-L210 HydrophobicContact CE1-CG 4.27Å |
| 188 | D | 90.7 | Very high | 84.7 | Confident | 49 Ų | 49 | 68.8 Ų | 68.8 | 26% | 0.262 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 33.6 | 179.6 | -158.8 | 10.4 | 0 | 0 | 0 | 113.9 | R48 H190 | R48-D188 HydrophobicContact CB-CB 4.03Å; R48-D188 IonicContact CZ-OD1 3.08Å; R48-D188 IonicContact CZ-OD2 3.63Å; R48-D188 IonicContact NE-OD1 2.69Å; R48-D188 PolarHBondContact NE-OD1 2.65Å; R48-D188 IonicContact NE-OD2 2.85Å; R48-D188 PolarHBondContact NE-OD2 2.96Å; R48-D188 IonicContact NH2-OD1 2.69Å; R48-D188 PolarHBondContact NH2-OD1 3.1Å; R48-D188 IonicContact NH2-OD2 3.65Å; R48-D188 WeakPolarHBondContact O-CA 3.4Å; R48-D188 PolarHBondContact O-N 3.17Å; D188-H190 PolarHBondContact O-CD2 3.15Å; D188-H190 PolarHBondContact O-N 2.98Å |
| 189 | G | 86.7 | Confident | 85.6 | Confident | 63 Ų | 63 | 61.8 Ų | 61.8 | 65% | 0.649 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.2 | 9.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y187 | Y187-G189 PolarHBondContact O-N 3.07Š|
| 190 | H | 88.6 | Confident | 86.4 | Confident | 110 Ų | 110 | 54.4 Ų | 54.4 | 51% | 0.509 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 129.6 | 172.2 | -66.5 | -81.2 | 0 | 0 | 0 | 110.2 | E186 Y187 D188 Y192 | E186-H190 WeakPolarHBondContact CA-O 3.29Å; Y187-H190 PolarHBondContact N-O 3.39Å; Y187-H190 WeakPolarHBondContact O-CB 3.36Å; Y187-H190 PolarHBondContact O-N 3.26Å; D188-H190 PolarHBondContact O-CD2 3.15Å; D188-H190 PolarHBondContact O-N 2.98Å; H190-Y192 HydrophobicContact CB-CD2 4.44Å; H190-Y192 HydrophobicContact CB-CE2 3.73Å |
| 191 | T | 89.1 | Confident | 86.9 | Confident | 101 Ų | 101 | 49.3 Ų | 49.3 | 62% | 0.62 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 128.3 | 169.8 | 52.3 | 0 | 0 | 0 | 0 | 109.2 | E186 | E186-T191 HydrophobicContact CG-CG2 4.3Å |
| 192 | Y | 88.1 | Confident | 87.2 | Confident | 20 Ų | 20 | 48.2 Ų | 48.2 | 8% | 0.078 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 124.4 | 174.9 | -62.7 | -94.4 | 0 | 0 | 0 | 108.8 | N184 D185 H190 L195 I199 L210 I213 P216 | N184-Y192 CarbonylContact C-O 3.51Å; N184-Y192 WeakPolarHBondContact CA-O 3.46Å; D185-Y192 PolarHBondContact N-O 3.34Å; D185-Y192 PolarHBondContact O-N 2.92Å; H190-Y192 HydrophobicContact CB-CD2 4.44Å; H190-Y192 HydrophobicContact CB-CE2 3.73Å; Y192-L195 HydrophobicContact CG-CD2 4.36Å; Y192-I199 HydrophobicContact CD2-CD1 3.65Å; Y192-I199 HydrophobicContact CD2-CG1 4.41Å; Y192-I199 HydrophobicContact CE2-CD1 4.12Å; Y192-I199 HydrophobicContact CG-CD1 4.36Å; Y192-L210 HydrophobicContact CE2-CD1 4.41Å; Y192-L210 WeakPolarHBondContact OH-CD1 3.33Å; Y192-I213 WeakPolarHBondContact CE1-O 3.13Å; Y192-P216 VanDerWaalsContact CD1-CD 3.47Å |
| 193 | D | 87.1 | Confident | 87.2 | Confident | 86 Ų | 86 | 46.7 Ų | 46.7 | 46% | 0.46 | 27% | 0.265 | S | S | . | . | trans | -108.1 | 157.1 | 178.9 | -58.4 | -55.4 | 0 | 0 | 0 | 110.5 | N184 L195 | N184-D193 VanDerWaalsContact CG-OD1 3.31Å; N184-D193 PolarHBondContact ND2-OD1 3.49Å; D193-L195 VanDerWaalsContact C-N 3.27Å; D193-L195 PolarHBondContact O-N 2.95Å | ||
| 194 | D | 83.4 | Confident | 87.5 | Confident | 132 Ų | 132 | 45 Ų | 45 | 71% | 0.706 | 25% | 0.25 | S | S | * | . | S | Bend | trans | 55 | 39.4 | 177.8 | -59.1 | -42.4 | 0 | 0 | 0 | 113.7 | S183 L196 | S183-D194 PolarHBondContact O-N 3.28Å; S183-D194 VanDerWaalsContact O-N 3.14Å; D194-L196 PolarHBondContact O-N 3.47Å |
| 195 | L | 82.5 | Confident | 87.7 | Confident | 22 Ų | 22 | 44.2 Ų | 44.2 | 12% | 0.115 | 25% | 0.246 | C | C | . | . | trans | -64.3 | 114 | 179.5 | -67.8 | 180 | 0 | 0 | 0 | 111.5 | S183 D185 Y192 D193 L197 I199 P216 | S183-L195 VanDerWaalsContact O-CB 3.28Å; S183-L195 WeakPolarHBondContact O-CB 3.4Å; S183-L195 WeakPolarHBondContact O-CG 3.24Å; S183-L195 PolarHBondContact O-N 3.42Å; D185-L195 HydrophobicContact CB-CD1 3.49Å; D185-L195 VanDerWaalsContact CB-CD1 3.49Å; Y192-L195 HydrophobicContact CG-CD2 4.36Å; D193-L195 VanDerWaalsContact C-N 3.27Å; D193-L195 PolarHBondContact O-N 2.95Å; L195-L197 VanDerWaalsContact C-N 3.34Å; L195-I199 HydrophobicContact CD1-CG1 4.3Å; L195-P216 HydrophobicContact CD2-CB 3.81Å; L195-P216 HydrophobicContact CD2-CG 3.41Å; L195-P216 VanDerWaalsContact CD2-CG 3.41Å | ||
| 196 | L | 76.4 | Confident | 87.5 | Confident | 111 Ų | 111 | 51.6 Ų | 51.6 | 58% | 0.581 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -81.5 | -15.6 | 170.9 | -76.5 | 161.2 | 0 | 0 | 0 | 113 | D194 F218 | D194-L196 PolarHBondContact O-N 3.47Å; L196-F218 HydrophobicContact CB-CD2 3.58Å; L196-F218 HydrophobicContact CB-CE2 4.17Å; L196-F218 HydrophobicContact CD1-CB 4.03Å; L196-F218 HydrophobicContact CD1-CD2 4.18Å |
| 197 | L | 83.9 | Confident | 87.5 | Confident | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.016 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -150.6 | 155 | 172.2 | 38.4 | 65.4 | 0 | 0 | 0 | 111.3 | P173 L195 P216 F218 M221 | P173-L197 HydrophobicContact CB-CD2 4.31Å; L195-L197 VanDerWaalsContact C-N 3.34Å; L197-P216 HydrophobicContact CD1-CB 3.14Å; L197-P216 WeakPolarHBondContact CD1-O 3.01Å; L197-P216 WeakPolarHBondContact O-CB 3.05Å; L197-F218 HydrophobicContact CB-CE2 4.15Å; L197-F218 HydrophobicContact CD2-CD2 3.67Å; L197-F218 HydrophobicContact CD2-CE1 4.05Å; L197-F218 HydrophobicContact CD2-CE2 3.07Å; L197-F218 HydrophobicContact CD2-CG 4.41Å; L197-F218 HydrophobicContact CD2-CZ 3.29Å; L197-F218 HydrophobicContact CG-CD2 3.66Å; L197-F218 HydrophobicContact CG-CE2 3.37Å; L197-F218 HydrophobicContact CG-CZ 4.12Å; L197-M221 HydrophobicContact CD1-CE 3.61Å; L197-M221 HydrophobicContact CD2-CE 3.48Å; L197-M221 VanDerWaalsContact CD2-CE 3.48Å; L197-M221 HydrophobicContact CD2-SD 4.26Å; L197-M221 HydrophobicContact CG-CE 4.11Å |
| 198 | P | 89.6 | Confident | 87.4 | Confident | 4 Ų | 4 | 53.6 Ų | 53.6 | 3% | 0.026 | 29% | 0.287 | C | S | . | . | trans | -69.5 | 147.9 | -177.6 | -27.4 | 40.2 | 0 | 0 | 0 | 114.2 | Y145 F176 T181 P200 C201 | Y145-P198 HydrophobicContact CD1-CG 4.14Å; Y145-P198 HydrophobicContact CE1-CB 3.63Å; Y145-P198 HydrophobicContact CE1-CG 3.49Å; Y145-P198 VanDerWaalsContact CE1-CG 3.49Å; Y145-P198 WeakPolarHBondContact OH-CB 3.34Å; F176-P198 HydrophobicContact CD1-CG 3.62Å; F176-P198 HydrophobicContact CD2-CG 3.74Å; F176-P198 HydrophobicContact CE1-CG 3.51Å; F176-P198 HydrophobicContact CE2-CG 3.63Å; F176-P198 HydrophobicContact CG-CG 3.74Å; F176-P198 HydrophobicContact CZ-CB 4.42Å; F176-P198 HydrophobicContact CZ-CG 3.49Å; F176-P198 VanDerWaalsContact CZ-CG 3.49Å; T181-P198 HydrophobicContact CG2-CG 4.41Å; P198-P200 VanDerWaalsContact C-N 3.32Å; P198-C201 VanDerWaalsContact O-CB 3.26Å; P198-C201 WeakPolarHBondContact O-CB 3.22Å; P198-C201 PolarHBondContact O-N 2.8Å | ||
| 199 | I | 90.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -51.4 | -40.1 | 176.3 | -57.2 | 174.6 | 0 | 0 | 0 | 114 | M148 D185 Y187 Y192 L195 C201 C202 M204 L210 P216 | M148-I199 HydrophobicContact CE-CB 3.65Å; M148-I199 HydrophobicContact CE-CD1 4.07Å; M148-I199 HydrophobicContact CE-CG1 4.41Å; M148-I199 HydrophobicContact CE-CG2 3.62Å; D185-I199 HydrophobicContact CB-CD1 3.8Å; D185-I199 HydrophobicContact CB-CG1 4.43Å; Y187-I199 HydrophobicContact CD1-CG2 3.96Å; Y187-I199 HydrophobicContact CG-CG2 3.95Å; Y192-I199 HydrophobicContact CD2-CD1 3.65Å; Y192-I199 HydrophobicContact CD2-CG1 4.41Å; Y192-I199 HydrophobicContact CE2-CD1 4.12Å; Y192-I199 HydrophobicContact CG-CD1 4.36Å; L195-I199 HydrophobicContact CD1-CG1 4.3Å; I199-C201 PolarHBondContact O-N 2.62Å; I199-C201 VanDerWaalsContact O-N 3.08Å; I199-C202 VanDerWaalsContact O-CB 3.28Å; I199-C202 WeakPolarHBondContact O-CB 3.45Å; I199-C202 PolarHBondContact O-N 2.91Å; I199-M204 HydrophobicContact CG2-CE 4.09Å; I199-L210 HydrophobicContact CG2-CD1 4.21Å; I199-L210 HydrophobicContact CG2-CD2 4.11Å; I199-P216 HydrophobicContact CB-CG 4.21Å; I199-P216 HydrophobicContact CG1-CG 3.58Å |
| 200 | P | 91 | Very high | 87.5 | Confident | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.013 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -61.2 | -16.2 | 177 | -23.2 | 31.3 | 0 | 0 | 0 | 115.8 | Y145 M148 A159 M162 I163 P198 C202 | Y145-P200 HydrophobicContact CE2-CG 4.44Å; M148-P200 HydrophobicContact CG-CG 3.65Å; M148-P200 HydrophobicContact SD-CG 3.53Å; M148-P200 VanDerWaalsContact SD-CG 3.53Å; A159-P200 HydrophobicContact CB-CB 3.94Å; A159-P200 HydrophobicContact CB-CG 3.41Å; A159-P200 VanDerWaalsContact CB-CG 3.41Å; M162-P200 HydrophobicContact CB-CB 3.88Å; M162-P200 HydrophobicContact CE-CB 3.61Å; M162-P200 HydrophobicContact CE-CG 3.87Å; M162-P200 HydrophobicContact SD-CB 4.27Å; I163-P200 HydrophobicContact CD1-CB 4.26Å; I163-P200 HydrophobicContact CG1-CB 4.06Å; P198-P200 VanDerWaalsContact C-N 3.32Å; P200-C202 VanDerWaalsContact C-N 3.27Å |
| 201 | C | 89.6 | Confident | 87.4 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -72.1 | -24.4 | 174.7 | -74.4 | 0 | 0 | 0 | 0 | 112.5 | M162 C168 P198 I199 H229 | M162-C201 VanDerWaalsContact SD-SG 3.69Å; C168-C201 VanDerWaalsContact CA-SG 3.51Å; C168-C201 HydrophobicContact CB-CB 3.61Å; C168-C201 WeakPolarHBondContact CB-SG 3.47Å; C168-C201 WeakPolarHBondContact SG-CB 3.14Å; C168-C201 CovalentContact SG-SG 2.03Å; C168-C201 PolarHBondContact SG-SG 2.87Å; P198-C201 VanDerWaalsContact O-CB 3.26Å; P198-C201 WeakPolarHBondContact O-CB 3.22Å; P198-C201 PolarHBondContact O-N 2.8Å; I199-C201 PolarHBondContact O-N 2.62Å; I199-C201 VanDerWaalsContact O-N 3.08Å; C201-H229 PolarHBondContact O-CD2 3.45Å; C201-H229 PolarHBondContact O-NE2 3.31Å |
| 202 | C | 88 | Confident | 87.1 | Confident | 4 Ų | 4 | 52.4 Ų | 52.4 | 3% | 0.027 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -70.2 | 149.3 | -179.2 | -62.4 | 0 | 0 | 0 | 0 | 112 | I199 P200 M204 L210 C215 | I199-C202 VanDerWaalsContact O-CB 3.28Å; I199-C202 WeakPolarHBondContact O-CB 3.45Å; I199-C202 PolarHBondContact O-N 2.91Å; P200-C202 VanDerWaalsContact C-N 3.27Å; C202-M204 PolarHBondContact O-N 3.28Å; C202-L210 HydrophobicContact CB-CD2 3.32Å; C202-C215 WeakPolarHBondContact CA-SG 3.34Å; C202-C215 HydrophobicContact CB-CB 3.77Å; C202-C215 WeakPolarHBondContact CB-SG 3.02Å; C202-C215 WeakPolarHBondContact SG-CB 3.22Å; C202-C215 CovalentContact SG-SG 2.02Å; C202-C215 PolarHBondContact SG-SG 2.94Å |
| 203 | M | 86.3 | Confident | 86.7 | Confident | 51 Ų | 51 | 57.1 Ų | 57.1 | 25% | 0.251 | 28% | 0.28 | S | S | . | . | trans | -67.3 | 131.5 | 174.5 | -69.3 | -160.7 | -170.1 | 0 | 0 | 111.1 | I211 N224 H228 | M203-I211 HydrophobicContact CB-CD1 4.04Å; M203-I211 HydrophobicContact CB-CG1 4.48Å; M203-I211 PolarHBondContact O-N 3.49Å; M203-N224 WeakPolarHBondContact CE-O 3.24Å; M203-H228 HydrophobicContact CE-CB 3.43Å; M203-H228 VanDerWaalsContact CE-CB 3.43Å; M203-H228 HydrophobicContact CG-CB 4.43Å | ||
| 204 | M | 88.5 | Confident | 86.3 | Confident | 28 Ų | 28 | 56.5 Ų | 56.5 | 14% | 0.138 | 28% | 0.277 | C | S | . | . | B | Isolated β-bridge | trans | -118.6 | 150.7 | 176.1 | -62.5 | -175.5 | 179.1 | 0 | 0 | 112.2 | I163 Y187 I199 C202 F208 R209 L210 | I163-M204 HydrophobicContact CD1-CE 3.97Å; I163-M204 HydrophobicContact CD1-SD 3.69Å; I163-M204 HydrophobicContact CG1-CE 4.31Å; I163-M204 HydrophobicContact CG1-SD 3.94Å; I163-M204 HydrophobicContact CG2-SD 4.23Å; Y187-M204 HydrophobicContact CE1-CE 3.78Å; Y187-M204 HydrophobicContact CE1-SD 4.46Å; I199-M204 HydrophobicContact CG2-CE 4.09Å; C202-M204 PolarHBondContact O-N 3.28Å; M204-F208 HydrophobicContact SD-CB 4.23Å; M204-F208 HydrophobicContact SD-CD1 4.18Å; M204-R209 CarbonylContact C-O 3.36Å; M204-R209 WeakPolarHBondContact CA-O 3.48Å; M204-L210 HydrophobicContact CE-CD2 3.9Å; M204-L210 HydrophobicContact CG-CD2 4.17Å |
| 205 | D | 89.4 | Confident | 86.2 | Confident | 57 Ų | 57 | 50.2 Ų | 50.2 | 31% | 0.305 | 24% | 0.243 | S | C | . | . | trans | -74.9 | -179.1 | 171.9 | 82.1 | -6.1 | 0 | 0 | 0 | 112.1 | H207 F208 R209 I211 | D205-H207 PolarHBondContact O-N 3.4Å; D205-H207 VanDerWaalsContact O-N 3.09Å; D205-H207 WeakPolarHBondContact OD1-CA 3.2Å; D205-H207 WeakPolarHBondContact OD1-CB 3.39Å; D205-H207 PolarHBondContact OD1-N 2.81Å; D205-H207 IonicContact OD2-CD2 3.9Å; D205-F208 PolarHBondContact O-N 3.37Å; D205-F208 PolarHBondContact OD1-N 2.6Å; D205-R209 PolarHBondContact N-O 3.09Å; D205-R209 PolarHBondContact OD1-N 3.15Å; D205-I211 HydrophobicContact CB-CG1 4.42Å | ||
| 206 | K | 87.5 | Confident | 86 | Confident | 163 Ų | 163 | 49.2 Ų | 49.2 | 71% | 0.709 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -15.7 | 178.2 | 69.5 | -172.7 | -177.5 | -174.4 | 0 | 114.3 | ||
| 207 | H | 89.4 | Confident | 85.8 | Confident | 106 Ų | 106 | 46.6 Ų | 46.6 | 49% | 0.491 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | 12.2 | 178.2 | -59.9 | -64.7 | 0 | 0 | 0 | 112.4 | D205 R209 | D205-H207 PolarHBondContact O-N 3.4Å; D205-H207 VanDerWaalsContact O-N 3.09Å; D205-H207 WeakPolarHBondContact OD1-CA 3.2Å; D205-H207 WeakPolarHBondContact OD1-CB 3.39Å; D205-H207 PolarHBondContact OD1-N 2.81Å; D205-H207 IonicContact OD2-CD2 3.9Å; H207-R209 PolarHBondContact O-N 2.95Å |
| 208 | F | 89.5 | Confident | 84.7 | Confident | 14 Ų | 14 | 49.3 Ų | 49.3 | 6% | 0.061 | 24% | 0.236 | C | C | . | . | S | Bend | trans | 62.3 | 27 | 178.3 | -71 | -115 | 0 | 0 | 0 | 112.6 | T43 K46 L47 I163 Y187 M204 D205 | T43-F208 HydrophobicContact CG2-CE1 3.58Å; T43-F208 HydrophobicContact CG2-CZ 3.53Å; K46-F208 HydrophobicContact CB-CB 4.13Å; K46-F208 HydrophobicContact CB-CD1 4.37Å; K46-F208 HydrophobicContact CB-CD2 3.54Å; K46-F208 HydrophobicContact CB-CE2 4.08Å; K46-F208 HydrophobicContact CB-CG 3.74Å; K46-F208 HydrophobicContact CD-CD2 3.49Å; K46-F208 VanDerWaalsContact CD-CD2 3.49Å; K46-F208 HydrophobicContact CD-CE2 3.43Å; K46-F208 VanDerWaalsContact CD-CE2 3.43Å; K46-F208 HydrophobicContact CD-CG 4.49Å; K46-F208 HydrophobicContact CD-CZ 4.38Å; K46-F208 HydrophobicContact CG-CD2 4.15Å; K46-F208 HydrophobicContact CG-CE2 4.44Å; L47-F208 HydrophobicContact CD2-CD1 3.91Å; L47-F208 HydrophobicContact CD2-CE1 4.46Å; I163-F208 HydrophobicContact CB-CE1 4.14Å; I163-F208 HydrophobicContact CD1-CD1 4.09Å; I163-F208 HydrophobicContact CD1-CE1 4.17Å; I163-F208 HydrophobicContact CG2-CD1 3.82Å; I163-F208 HydrophobicContact CG2-CE1 3.32Å; I163-F208 HydrophobicContact CG2-CZ 3.92Å; Y187-F208 WeakPolarHBondContact CE1-O 3.35Å; Y187-F208 PolarHBondContact OH-O 2.82Å; M204-F208 HydrophobicContact SD-CB 4.23Å; M204-F208 HydrophobicContact SD-CD1 4.18Å; D205-F208 PolarHBondContact O-N 3.37Å; D205-F208 PolarHBondContact OD1-N 2.6Å |
| 209 | R | 90.5 | Very high | 83.3 | Confident | 123 Ų | 123 | 57.1 Ų | 57.1 | 46% | 0.464 | 27% | 0.272 | S | S | . | . | trans | -88.3 | 140.1 | 168.8 | -65.6 | 179.4 | 174.7 | 178.2 | -3.4 | 109.4 | M204 D205 H207 I211 | M204-R209 CarbonylContact C-O 3.36Å; M204-R209 WeakPolarHBondContact CA-O 3.48Å; D205-R209 PolarHBondContact N-O 3.09Å; D205-R209 PolarHBondContact OD1-N 3.15Å; H207-R209 PolarHBondContact O-N 2.95Å; R209-I211 PolarHBondContact O-N 2.91Å | ||
| 210 | L | 88.6 | Confident | 81.7 | Confident | 22 Ų | 22 | 64.5 Ų | 64.5 | 12% | 0.115 | 30% | 0.301 | C | S | . | . | B | Isolated β-bridge | trans | -59.3 | 130.1 | 172 | -67.3 | 169.4 | 0 | 0 | 0 | 109.2 | Y187 Y192 I199 C202 M204 | Y187-L210 HydrophobicContact CD1-CD1 4.1Å; Y187-L210 HydrophobicContact CD1-CG 4.19Å; Y187-L210 HydrophobicContact CE1-CG 4.27Å; Y192-L210 HydrophobicContact CE2-CD1 4.41Å; Y192-L210 WeakPolarHBondContact OH-CD1 3.33Å; I199-L210 HydrophobicContact CG2-CD1 4.21Å; I199-L210 HydrophobicContact CG2-CD2 4.11Å; C202-L210 HydrophobicContact CB-CD2 3.32Å; M204-L210 HydrophobicContact CE-CD2 3.9Å; M204-L210 HydrophobicContact CG-CD2 4.17Å |
| 211 | I | 86.3 | Confident | 80.3 | Confident | 115 Ų | 115 | 66 Ų | 66 | 59% | 0.59 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -72.4 | -41.6 | 176.2 | -63 | -179.6 | 0 | 0 | 0 | 109.6 | M203 D205 R209 | M203-I211 HydrophobicContact CB-CD1 4.04Å; M203-I211 HydrophobicContact CB-CG1 4.48Å; M203-I211 PolarHBondContact O-N 3.49Å; D205-I211 HydrophobicContact CB-CG1 4.42Å; R209-I211 PolarHBondContact O-N 2.91Å |
| 212 | D | 82.8 | Confident | 79 | Confident | 38 Ų | 38 | 68.5 Ų | 68.5 | 20% | 0.203 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -110.9 | 118.2 | 169.6 | -168 | -16.4 | 0 | 0 | 0 | 109.5 | N214 C215 E225 | D212-N214 PolarHBondContact O-N 2.02Å; D212-N214 WeakPolarHBondContact OD1-CB 3.42Å; D212-N214 PolarHBondContact OD1-N 3.28Å; D212-N214 PolarHBondContact OD1-ND2 3.34Å; D212-C215 HydrophobicContact CB-CB 4.47Å; D212-C215 PolarHBondContact O-N 3.14Å; D212-E225 VanDerWaalsContact CB-OE1 3.25Å; D212-E225 WeakPolarHBondContact CB-OE1 3.22Å |
| 213 | I | 80.8 | Confident | 78 | Confident | 118 Ų | 118 | 74.4 Ų | 74.4 | 61% | 0.605 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -16 | 178.1 | 59.6 | 170 | 0 | 0 | 0 | 113 | Y192 | Y192-I213 WeakPolarHBondContact CE1-O 3.13Š|
| 214 | N | 78.5 | Confident | 77 | Confident | 73 Ų | 73 | 77.3 Ų | 77.3 | 39% | 0.39 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -17.8 | 177.8 | -54.3 | -63.2 | 0 | 0 | 0 | 112.4 | D212 N217 Y220 | D212-N214 PolarHBondContact O-N 2.02Å; D212-N214 WeakPolarHBondContact OD1-CB 3.42Å; D212-N214 PolarHBondContact OD1-N 3.28Å; D212-N214 PolarHBondContact OD1-ND2 3.34Å; N214-N217 WeakPolarHBondContact O-CB 3.38Å; N214-N217 PolarHBondContact O-N 2.84Å; N214-Y220 HydrophobicContact CB-CD2 4.4Å; N214-Y220 HydrophobicContact CB-CG 4.11Å |
| 215 | C | 81.1 | Confident | 75.9 | Confident | 1 Ų | 1 | 76.4 Ų | 76.4 | 1% | 0.007 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | 127.9 | 164.8 | -167 | 0 | 0 | 0 | 0 | 107.7 | C202 D212 | C202-C215 WeakPolarHBondContact CA-SG 3.34Å; C202-C215 HydrophobicContact CB-CB 3.77Å; C202-C215 WeakPolarHBondContact CB-SG 3.02Å; C202-C215 WeakPolarHBondContact SG-CB 3.22Å; C202-C215 CovalentContact SG-SG 2.02Å; C202-C215 PolarHBondContact SG-SG 2.94Å; D212-C215 HydrophobicContact CB-CB 4.47Å; D212-C215 PolarHBondContact O-N 3.14Å |
| 216 | P | 76.7 | Confident | 74.9 | Confident | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -104.5 | 13.2 | 30.1 | 0.9 | 22.9 | 0 | 0 | 0 | 115.8 | Y192 L195 L197 I199 F218 | Y192-P216 VanDerWaalsContact CD1-CD 3.47Å; L195-P216 HydrophobicContact CD2-CB 3.81Å; L195-P216 HydrophobicContact CD2-CG 3.41Å; L195-P216 VanDerWaalsContact CD2-CG 3.41Å; L197-P216 HydrophobicContact CD1-CB 3.14Å; L197-P216 WeakPolarHBondContact CD1-O 3.01Å; L197-P216 WeakPolarHBondContact O-CB 3.05Å; I199-P216 HydrophobicContact CB-CG 4.21Å; I199-P216 HydrophobicContact CG1-CG 3.58Å; P216-F218 PolarHBondContact O-N 3.49Å |
| 217 | N | 72.7 | Confident | 73.9 | Confident | 56 Ų | 56 | 77 Ų | 77 | 30% | 0.299 | 37% | 0.366 | S | S | . | . | trans | -74.4 | 103.1 | -178 | -64.7 | -18.4 | 0 | 0 | 0 | 109.9 | N214 H219 Y220 | N214-N217 WeakPolarHBondContact O-CB 3.38Å; N214-N217 PolarHBondContact O-N 2.84Å; N217-H219 PolarHBondContact O-N 3.48Å; N217-Y220 PolarHBondContact O-N 2.94Å | ||
| 218 | F | 62.3 | Low | 72.9 | Confident | 61 Ų | 61 | 73.5 Ų | 73.5 | 27% | 0.268 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -47.2 | -28.3 | -173.5 | -106.3 | -76.3 | 0 | 0 | 0 | 114.7 | P173 F174 L196 L197 P216 Y220 M221 | P173-F218 HydrophobicContact CB-CZ 4.5Å; F174-F218 HydrophobicContact CE1-CE2 4.23Å; F174-F218 AromaticContact CE1-CZ 3.94Å; F174-F218 HydrophobicContact CE1-CZ 3.94Å; F174-F218 HydrophobicContact CZ-CZ 4.1Å; L196-F218 HydrophobicContact CB-CD2 3.58Å; L196-F218 HydrophobicContact CB-CE2 4.17Å; L196-F218 HydrophobicContact CD1-CB 4.03Å; L196-F218 HydrophobicContact CD1-CD2 4.18Å; L197-F218 HydrophobicContact CB-CE2 4.15Å; L197-F218 HydrophobicContact CD2-CD2 3.67Å; L197-F218 HydrophobicContact CD2-CE1 4.05Å; L197-F218 HydrophobicContact CD2-CE2 3.07Å; L197-F218 HydrophobicContact CD2-CG 4.41Å; L197-F218 HydrophobicContact CD2-CZ 3.29Å; L197-F218 HydrophobicContact CG-CD2 3.66Å; L197-F218 HydrophobicContact CG-CE2 3.37Å; L197-F218 HydrophobicContact CG-CZ 4.12Å; P216-F218 PolarHBondContact O-N 3.49Å; F218-Y220 PolarHBondContact O-N 2.9Å; F218-M221 HydrophobicContact CD1-SD 3.68Å; F218-M221 HydrophobicContact CE1-SD 3.88Å; F218-M221 HydrophobicContact CG-SD 4.25Å; F218-M221 PolarHBondContact O-N 2.83Å |
| 219 | H | 58.9 | Low | 72 | Confident | 167 Ų | 167 | 73 Ų | 73 | 77% | 0.773 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -60.5 | -14.2 | 179.6 | -71.9 | -6.2 | 0 | 0 | 0 | 114.2 | N217 | N217-H219 PolarHBondContact O-N 3.48Š|
| 220 | Y | 57.2 | Low | 71.2 | Confident | 155 Ų | 155 | 72.5 Ų | 72.5 | 61% | 0.608 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -121.8 | 10.4 | -176.2 | -62.2 | -78 | 0 | 0 | 0 | 114.7 | N214 N217 F218 S222 | N214-Y220 HydrophobicContact CB-CD2 4.4Å; N214-Y220 HydrophobicContact CB-CG 4.11Å; N217-Y220 PolarHBondContact O-N 2.94Å; F218-Y220 PolarHBondContact O-N 2.9Å; Y220-S222 PolarHBondContact O-N 3.36Å |
| 221 | M | 61.8 | Low | 71.1 | Confident | 35 Ų | 35 | 77.6 Ų | 77.6 | 17% | 0.172 | 38% | 0.376 | C | S | . | . | trans | -69.5 | 125.6 | -178.5 | -74.7 | -174.8 | 168.6 | 0 | 0 | 112.8 | L197 F218 E225 H229 | L197-M221 HydrophobicContact CD1-CE 3.61Å; L197-M221 HydrophobicContact CD2-CE 3.48Å; L197-M221 VanDerWaalsContact CD2-CE 3.48Å; L197-M221 HydrophobicContact CD2-SD 4.26Å; L197-M221 HydrophobicContact CG-CE 4.11Å; F218-M221 HydrophobicContact CD1-SD 3.68Å; F218-M221 HydrophobicContact CE1-SD 3.88Å; F218-M221 HydrophobicContact CG-SD 4.25Å; F218-M221 PolarHBondContact O-N 2.83Å; M221-E225 HydrophobicContact CB-CB 4.44Å; M221-H229 WeakPolarHBondContact CE-CE1 3.41Å; M221-H229 VanDerWaalsContact CE-ND1 3.3Å; M221-H229 WeakPolarHBondContact CE-ND1 3.32Å; M221-H229 PolarHBondContact SD-CE1 3.3Å; M221-H229 PolarHBondContact SD-ND1 3.3Å | ||
| 222 | S | 63.4 | Low | 71.4 | Confident | 51 Ų | 51 | 72.8 Ų | 72.8 | 36% | 0.357 | 36% | 0.355 | S | S | . | . | trans | -65.7 | 155.7 | 169.9 | 66.1 | 0 | 0 | 0 | 0 | 111.6 | Y220 N224 E225 Q226 | Y220-S222 PolarHBondContact O-N 3.36Å; S222-N224 PolarHBondContact O-N 3.38Å; S222-N224 VanDerWaalsContact O-N 3.12Å; S222-E225 WeakPolarHBondContact CB-OE2 3.47Å; S222-E225 PolarHBondContact N-OE2 3.4Å; S222-E225 WeakPolarHBondContact O-CB 3.39Å; S222-E225 PolarHBondContact O-N 3.38Å; S222-E225 VanDerWaalsContact OG-CG 3.27Å; S222-E225 WeakPolarHBondContact OG-CG 3.38Å; S222-E225 PolarHBondContact OG-N 2.91Å; S222-E225 PolarHBondContact OG-OE2 2.91Å; S222-Q226 PolarHBondContact O-N 3.4Å | ||
| 223 | E | 66.8 | Low | 72 | Confident | 128 Ų | 128 | 71 Ų | 71 | 60% | 0.598 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -56.3 | -31.8 | 176.6 | -165 | -163.1 | 145.9 | 0 | 0 | 112.2 | Q226 K227 | E223-Q226 PolarHBondContact O-N 3.2Å; E223-K227 PolarHBondContact O-N 3Å; E223-K227 VanDerWaalsContact O-N 3.07Å; E223-K227 WeakPolarHBondContact OE1-CE 3.29Å; E223-K227 IonicContact OE1-NZ 2.62Å; E223-K227 PolarHBondContact OE1-NZ 3.35Å |
| 224 | N | 65.1 | Low | 72.7 | Confident | 113 Ų | 113 | 68.6 Ų | 68.6 | 60% | 0.604 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -69.6 | -38.8 | 177.1 | -73 | -25.7 | 0 | 0 | 0 | 112.4 | M203 S222 K227 H228 | M203-N224 WeakPolarHBondContact CE-O 3.24Å; S222-N224 PolarHBondContact O-N 3.38Å; S222-N224 VanDerWaalsContact O-N 3.12Å; N224-K227 PolarHBondContact O-N 2.95Å; N224-H228 PolarHBondContact O-N 3.14Å |
| 225 | E | 65.6 | Low | 73.5 | Confident | 9 Ų | 9 | 70.8 Ų | 70.8 | 4% | 0.042 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -68.5 | -39.1 | 173.1 | -72.8 | 168.4 | 135.9 | 0 | 0 | 111.1 | D212 M221 S222 K227 H228 H229 | D212-E225 VanDerWaalsContact CB-OE1 3.25Å; D212-E225 WeakPolarHBondContact CB-OE1 3.22Å; M221-E225 HydrophobicContact CB-CB 4.44Å; S222-E225 WeakPolarHBondContact CB-OE2 3.47Å; S222-E225 PolarHBondContact N-OE2 3.4Å; S222-E225 WeakPolarHBondContact O-CB 3.39Å; S222-E225 PolarHBondContact O-N 3.38Å; S222-E225 VanDerWaalsContact OG-CG 3.27Å; S222-E225 WeakPolarHBondContact OG-CG 3.38Å; S222-E225 PolarHBondContact OG-N 2.91Å; S222-E225 PolarHBondContact OG-OE2 2.91Å; E225-K227 VanDerWaalsContact C-N 3.31Å; E225-K227 PolarHBondContact O-N 2.79Å; E225-H228 WeakPolarHBondContact O-CA 3.07Å; E225-H228 WeakPolarHBondContact O-CB 3.24Å; E225-H228 PolarHBondContact O-N 2.74Å; E225-H229 PolarHBondContact O-CD2 2.55Å; E225-H229 PolarHBondContact O-CE1 3.09Å; E225-H229 PolarHBondContact O-N 3.12Å; E225-H229 PolarHBondContact O-ND1 2.86Å |
| 226 | Q | 67.4 | Low | 74.1 | Confident | 112 Ų | 112 | 73.4 Ų | 73.4 | 52% | 0.523 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.3 | -41.7 | 174.7 | -163.8 | 178.2 | 27.6 | 0 | 0 | 112.2 | S222 E223 H228 H229 N230 | S222-Q226 PolarHBondContact O-N 3.4Å; E223-Q226 PolarHBondContact O-N 3.2Å; Q226-H228 VanDerWaalsContact C-N 3.26Å; Q226-H228 PolarHBondContact O-N 2.95Å; Q226-H229 PolarHBondContact O-N 3.02Å; Q226-N230 VanDerWaalsContact O-CG 3.27Å; Q226-N230 PolarHBondContact O-N 3Å; Q226-N230 PolarHBondContact O-ND2 3.18Å |
| 227 | K | 65.7 | Low | 75.1 | Confident | 120 Ų | 120 | 74.5 Ų | 74.5 | 52% | 0.522 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.9 | -29.2 | 173.8 | -76.4 | 175.6 | -173.2 | 154.9 | 0 | 113.1 | E223 N224 E225 | E223-K227 PolarHBondContact O-N 3Å; E223-K227 VanDerWaalsContact O-N 3.07Å; E223-K227 WeakPolarHBondContact OE1-CE 3.29Å; E223-K227 IonicContact OE1-NZ 2.62Å; E223-K227 PolarHBondContact OE1-NZ 3.35Å; N224-K227 PolarHBondContact O-N 2.95Å; E225-K227 VanDerWaalsContact C-N 3.31Å; E225-K227 PolarHBondContact O-N 2.79Å |
| 228 | H | 69.3 | Low | 76.2 | Confident | 32 Ų | 32 | 71.9 Ų | 71.9 | 15% | 0.148 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -71.1 | -43.2 | 175 | -164.4 | 79.6 | 0 | 0 | 0 | 111.7 | K166 M203 N224 E225 Q226 N230 | K166-H228 WeakPolarHBondContact CB-CE1 2.96Å; M203-H228 HydrophobicContact CE-CB 3.43Å; M203-H228 VanDerWaalsContact CE-CB 3.43Å; M203-H228 HydrophobicContact CG-CB 4.43Å; N224-H228 PolarHBondContact O-N 3.14Å; E225-H228 WeakPolarHBondContact O-CA 3.07Å; E225-H228 WeakPolarHBondContact O-CB 3.24Å; E225-H228 PolarHBondContact O-N 2.74Å; Q226-H228 VanDerWaalsContact C-N 3.26Å; Q226-H228 PolarHBondContact O-N 2.95Å; H228-N230 VanDerWaalsContact C-N 3.31Å; H228-N230 PolarHBondContact O-N 3.38Å |
| 229 | H | 69.7 | Low | 77.8 | Confident | 3 Ų | 3 | 72.8 Ų | 72.8 | 1% | 0.014 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -71.8 | -24 | -176.4 | -58.1 | 154.9 | 0 | 0 | 0 | 113 | C168 P173 C201 M221 E225 Q226 K231 | C168-H229 HydrophobicContact CB-CB 4.45Å; P173-H229 VanDerWaalsContact CD-O 3.24Å; P173-H229 WeakPolarHBondContact CD-O 3.16Å; P173-H229 HydrophobicContact CG-CB 3.71Å; P173-H229 WeakPolarHBondContact CG-O 3.04Å; C201-H229 PolarHBondContact O-CD2 3.45Å; C201-H229 PolarHBondContact O-NE2 3.31Å; M221-H229 WeakPolarHBondContact CE-CE1 3.41Å; M221-H229 VanDerWaalsContact CE-ND1 3.3Å; M221-H229 WeakPolarHBondContact CE-ND1 3.32Å; M221-H229 PolarHBondContact SD-CE1 3.3Å; M221-H229 PolarHBondContact SD-ND1 3.3Å; E225-H229 PolarHBondContact O-CD2 2.55Å; E225-H229 PolarHBondContact O-CE1 3.09Å; E225-H229 PolarHBondContact O-N 3.12Å; E225-H229 PolarHBondContact O-ND1 2.86Å; Q226-H229 PolarHBondContact O-N 3.02Å; H229-K231 PolarHBondContact O-N 3.46Å |
| 230 | N | 74.2 | Confident | 79.5 | Confident | 114 Ų | 114 | 70.5 Ų | 70.5 | 61% | 0.61 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | 8.3 | -179.8 | -72.7 | -15.6 | 0 | 0 | 0 | 115.3 | Q226 H228 | Q226-N230 VanDerWaalsContact O-CG 3.27Å; Q226-N230 PolarHBondContact O-N 3Å; Q226-N230 PolarHBondContact O-ND2 3.18Å; H228-N230 VanDerWaalsContact C-N 3.31Å; H228-N230 PolarHBondContact O-N 3.38Å |
| 231 | K | 86.2 | Confident | 81.3 | Confident | 128 Ų | 128 | 63.6 Ų | 63.6 | 56% | 0.557 | 31% | 0.31 | S | S | * | . | trans | -112.5 | 111.4 | 175.8 | -64.5 | -176.8 | -176.6 | 179.3 | 0 | 110.7 | C167 C168 H229 L236 | C167-K231 CarbonylContact C-O 3.6Å; C167-K231 VanDerWaalsContact CA-O 3.29Å; C167-K231 WeakPolarHBondContact CA-O 3.35Å; C167-K231 VanDerWaalsContact CB-O 3.22Å; C167-K231 WeakPolarHBondContact CB-O 3.37Å; C168-K231 PolarHBondContact N-O 3.26Å; H229-K231 PolarHBondContact O-N 3.46Å; K231-L236 HydrophobicContact CB-CD1 4.47Å | ||
| 232 | G | 92.4 | Very high | 82.8 | Confident | 14 Ų | 14 | 63.6 Ų | 63.6 | 14% | 0.144 | 31% | 0.31 | C | S | . | . | trans | -66.2 | 147.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113 | Y170 L171 K234 | Y170-G232 CarbonylContact O-C 3.47Å; Y170-G232 WeakPolarHBondContact O-CA 3.26Å; L171-G232 VanDerWaalsContact C-CA 3.46Å; L171-G232 WeakPolarHBondContact O-CA 3.38Å; L171-G232 PolarHBondContact O-N 3.31Å; G232-K234 VanDerWaalsContact C-N 3.29Å; G232-K234 PolarHBondContact O-N 2.95Å | ||
| 233 | C | 95.5 | Very high | 84.4 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -74.4 | -15.2 | -179.5 | -64.5 | 0 | 0 | 0 | 0 | 114.3 | F138 V161 C167 G169 Y170 F237 | F138-C233 HydrophobicContact CE1-CB 3.69Å; F138-C233 HydrophobicContact CZ-CB 4.02Å; V161-C233 HydrophobicContact CG1-CB 4.28Å; C167-C233 VanDerWaalsContact C-SG 3.51Å; C167-C233 HydrophobicContact CB-CB 3.98Å; C167-C233 WeakPolarHBondContact CB-SG 3.44Å; C167-C233 WeakPolarHBondContact SG-CA 3.3Å; C167-C233 WeakPolarHBondContact SG-CB 3.43Å; C167-C233 CovalentContact SG-SG 2.02Å; C167-C233 PolarHBondContact SG-SG 2.93Å; G169-C233 VanDerWaalsContact O-CB 3.24Å; G169-C233 WeakPolarHBondContact O-CB 3.32Å; G169-C233 PolarHBondContact O-N 3.4Å; G169-C233 PolarHBondContact O-SG 3.46Å; G169-C233 VanDerWaalsContact O-SG 3.34Å; Y170-C233 PolarHBondContact O-N 3.23Å; Y170-C233 VanDerWaalsContact O-N 3.09Å; C233-F237 WeakPolarHBondContact O-CB 3.35Å; C233-F237 PolarHBondContact O-N 3.3Å |
| 234 | K | 96.5 | Very high | 85.6 | Confident | 68 Ų | 68 | 62.9 Ų | 62.9 | 30% | 0.296 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -51.6 | -64.4 | -175.5 | 175.1 | -176.3 | 178.4 | -178.1 | 0 | 112.3 | E135 Y170 L171 G232 L236 F237 G238 | E135-K234 HydrophobicContact CB-CG 4.08Å; E135-K234 HydrophobicContact CG-CG 3.66Å; E135-K234 WeakPolarHBondContact CG-O 3.24Å; E135-K234 WeakPolarHBondContact OE2-CE 3.49Å; E135-K234 IonicContact OE2-NZ 3.91Å; Y170-K234 HydrophobicContact CD2-CB 3.91Å; Y170-K234 HydrophobicContact CD2-CG 4.47Å; Y170-K234 HydrophobicContact CE1-CB 4.31Å; Y170-K234 HydrophobicContact CE1-CD 3.73Å; Y170-K234 HydrophobicContact CE1-CG 4.17Å; Y170-K234 HydrophobicContact CE2-CB 3.65Å; Y170-K234 HydrophobicContact CE2-CD 4.22Å; Y170-K234 HydrophobicContact CE2-CG 3.73Å; Y170-K234 HydrophobicContact CG-CB 4.34Å; Y170-K234 WeakPolarHBondContact O-CB 3.43Å; Y170-K234 PolarHBondContact O-N 2.03Å; Y170-K234 WeakPolarHBondContact OH-CD 3.27Å; Y170-K234 WeakPolarHBondContact OH-CE 3.33Å; L171-K234 HydrophobicContact CD2-CD 3.61Å; G232-K234 VanDerWaalsContact C-N 3.29Å; G232-K234 PolarHBondContact O-N 2.95Å; K234-L236 PolarHBondContact O-N 3.42Å; K234-F237 PolarHBondContact O-N 3.11Å; K234-G238 PolarHBondContact O-N 3.49Å |
| 235 | Q | 94.7 | Very high | 87 | Confident | 120 Ų | 120 | 58.6 Ų | 58.6 | 56% | 0.561 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -67.2 | -40.4 | -173.8 | -173.8 | 178.9 | 9.5 | 0 | 0 | 111.3 | F237 G238 Q239 | Q235-F237 PolarHBondContact O-N 3.42Å; Q235-G238 PolarHBondContact O-N 2.91Å; Q235-Q239 HydrophobicContact CG-CG 4.43Å; Q235-Q239 WeakPolarHBondContact O-CB 3.3Å; Q235-Q239 VanDerWaalsContact O-CG 3.29Å; Q235-Q239 WeakPolarHBondContact O-CG 3.41Å; Q235-Q239 PolarHBondContact O-N 2.99Å |
| 236 | L | 95 | Very high | 88.3 | Confident | 56 Ų | 56 | 58.5 Ų | 58.5 | 29% | 0.293 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.2 | -42.2 | 179 | -67 | 169.6 | 0 | 0 | 0 | 111.6 | L165 C167 K231 K234 K240 | L165-L236 HydrophobicContact CB-CB 4.4Å; L165-L236 HydrophobicContact CD1-CB 4.12Å; C167-L236 HydrophobicContact CB-CD1 3.74Å; K231-L236 HydrophobicContact CB-CD1 4.47Å; K234-L236 PolarHBondContact O-N 3.42Å; L236-K240 VanDerWaalsContact O-CB 3.29Å; L236-K240 WeakPolarHBondContact O-CB 3.36Å; L236-K240 PolarHBondContact O-N 2.95Å |
| 237 | F | 96.2 | Very high | 89.6 | Confident | 23 Ų | 23 | 60.4 Ų | 60.4 | 10% | 0.101 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.5 | -46.4 | 175.6 | -177.3 | -91 | 0 | 0 | 0 | 111.2 | F68 M134 F138 F157 V161 L165 C233 K234 Q235 Q239 K240 A241 | F68-F237 AromaticContact CD1-CE1 3.94Å; F68-F237 HydrophobicContact CD1-CE1 3.94Å; F68-F237 AromaticContact CD1-CZ 3.72Å; F68-F237 HydrophobicContact CD1-CZ 3.72Å; F68-F237 AromaticContact CE1-CE1 3.7Å; F68-F237 HydrophobicContact CE1-CE1 3.7Å; F68-F237 AromaticContact CE1-CZ 3.59Å; F68-F237 HydrophobicContact CE1-CZ 3.59Å; F68-F237 HydrophobicContact CG-CZ 4.42Å; F68-F237 HydrophobicContact CZ-CZ 4.23Å; M134-F237 HydrophobicContact CB-CE1 4.23Å; F138-F237 HydrophobicContact CB-CD1 3.64Å; F138-F237 HydrophobicContact CB-CE1 3.68Å; F138-F237 HydrophobicContact CB-CG 4.31Å; F138-F237 HydrophobicContact CB-CZ 4.39Å; F138-F237 HydrophobicContact CD1-CB 4.02Å; F138-F237 HydrophobicContact CD1-CD1 4.09Å; F138-F237 AromaticContact CD1-CG 3.99Å; F138-F237 HydrophobicContact CD1-CG 3.99Å; F138-F237 HydrophobicContact CD2-CD1 4.39Å; F138-F237 HydrophobicContact CD2-CD2 4.3Å; F138-F237 HydrophobicContact CD2-CE1 4.42Å; F138-F237 HydrophobicContact CD2-CE2 4.32Å; F138-F237 HydrophobicContact CD2-CG 4.33Å; F138-F237 HydrophobicContact CD2-CZ 4.38Å; F138-F237 HydrophobicContact CE1-CB 4.22Å; F138-F237 HydrophobicContact CE1-CG 4.42Å; F138-F237 HydrophobicContact CE2-CD2 4.49Å; F138-F237 HydrophobicContact CG-CB 4.49Å; F138-F237 AromaticContact CG-CD1 3.79Å; F138-F237 HydrophobicContact CG-CD1 3.79Å; F138-F237 HydrophobicContact CG-CD2 4.38Å; F138-F237 HydrophobicContact CG-CE1 4.09Å; F138-F237 AromaticContact CG-CG 3.95Å; F138-F237 HydrophobicContact CG-CG 3.95Å; F138-F237 HydrophobicContact CG-CZ 4.5Å; F157-F237 HydrophobicContact CE1-CE2 4.41Å; F157-F237 AromaticContact CZ-CE2 3.86Å; F157-F237 HydrophobicContact CZ-CE2 3.86Å; F157-F237 HydrophobicContact CZ-CZ 4.14Å; V161-F237 HydrophobicContact CG1-CD2 3.89Å; V161-F237 HydrophobicContact CG2-CD2 4.04Å; V161-F237 HydrophobicContact CG2-CE2 4.04Å; L165-F237 HydrophobicContact CD1-CB 3.99Å; L165-F237 HydrophobicContact CD1-CD2 4.36Å; C233-F237 WeakPolarHBondContact O-CB 3.35Å; C233-F237 PolarHBondContact O-N 3.3Å; K234-F237 PolarHBondContact O-N 3.11Å; Q235-F237 PolarHBondContact O-N 3.42Å; F237-Q239 PolarHBondContact O-N 2.87Å; F237-K240 PolarHBondContact O-N 3.48Å; F237-A241 VanDerWaalsContact O-CB 3.31Å; F237-A241 WeakPolarHBondContact O-CB 3.36Å; F237-A241 PolarHBondContact O-N 3.25Å |
| 238 | G | 95.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -54 | -53.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | K234 Q235 K240 A241 F242 | K234-G238 PolarHBondContact O-N 3.49Å; Q235-G238 PolarHBondContact O-N 2.91Å; G238-K240 PolarHBondContact O-N 2.85Å; G238-A241 PolarHBondContact O-N 3.38Å; G238-F242 PolarHBondContact O-N 2.98Å |
| 239 | Q | 96.2 | Very high | 92 | Very high | 80 Ų | 80 | 56.3 Ų | 56.3 | 37% | 0.374 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.2 | -42.8 | 178.7 | -73.1 | 175.1 | -6.8 | 0 | 0 | 112.6 | Q235 F237 F242 S243 | Q235-Q239 HydrophobicContact CG-CG 4.43Å; Q235-Q239 WeakPolarHBondContact O-CB 3.3Å; Q235-Q239 VanDerWaalsContact O-CG 3.29Å; Q235-Q239 WeakPolarHBondContact O-CG 3.41Å; Q235-Q239 PolarHBondContact O-N 2.99Å; F237-Q239 PolarHBondContact O-N 2.87Å; Q239-F242 PolarHBondContact O-N 3.43Å; Q239-S243 WeakPolarHBondContact O-CB 3.11Å; Q239-S243 PolarHBondContact O-N 3.05Å |
| 240 | K | 95.2 | Very high | 93.1 | Very high | 120 Ų | 120 | 62.7 Ų | 62.7 | 52% | 0.522 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.5 | -43.4 | 177 | -174.5 | 65.8 | 173.5 | -173.1 | 0 | 111.3 | L165 L236 F237 G238 S243 I244 | L165-K240 HydrophobicContact CD2-CB 4.32Å; L165-K240 HydrophobicContact CD2-CG 4.24Å; L236-K240 VanDerWaalsContact O-CB 3.29Å; L236-K240 WeakPolarHBondContact O-CB 3.36Å; L236-K240 PolarHBondContact O-N 2.95Å; F237-K240 PolarHBondContact O-N 3.48Å; G238-K240 PolarHBondContact O-N 2.85Å; K240-S243 WeakPolarHBondContact O-CB 3.14Å; K240-S243 PolarHBondContact O-N 3.22Å; K240-I244 WeakPolarHBondContact O-CG1 3.43Å; K240-I244 PolarHBondContact O-N 3.4Å |
| 241 | A | 94 | Very high | 94 | Very high | 10 Ų | 10 | 61.5 Ų | 61.5 | 8% | 0.083 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.3 | -42.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | M134 F237 G238 I244 I245 | M134-A241 HydrophobicContact CB-CB 3.84Å; M134-A241 HydrophobicContact CE-CB 3.89Å; M134-A241 HydrophobicContact CG-CB 3.74Å; F237-A241 VanDerWaalsContact O-CB 3.31Å; F237-A241 WeakPolarHBondContact O-CB 3.36Å; F237-A241 PolarHBondContact O-N 3.25Å; G238-A241 PolarHBondContact O-N 3.38Å; A241-I244 PolarHBondContact O-N 2.98Å; A241-I245 PolarHBondContact O-N 3.4Å; A241-I245 VanDerWaalsContact O-N 3.09Å |
| 242 | F | 95 | Very high | 94.3 | Very high | 35 Ų | 35 | 56.7 Ų | 56.7 | 15% | 0.154 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.4 | -44 | 173.2 | 171.8 | -104.6 | 0 | 0 | 0 | 111.6 | P127 I130 E131 G238 Q239 I244 I245 A246 | P127-F242 HydrophobicContact CB-CD1 4.11Å; P127-F242 HydrophobicContact CB-CD2 4.03Å; P127-F242 HydrophobicContact CB-CE1 3.76Å; P127-F242 HydrophobicContact CB-CE2 3.66Å; P127-F242 HydrophobicContact CB-CG 4.25Å; P127-F242 HydrophobicContact CB-CZ 3.53Å; I130-F242 HydrophobicContact CB-CD2 4.12Å; I130-F242 HydrophobicContact CG2-CD2 4.21Å; E131-F242 HydrophobicContact CG-CB 3.66Å; E131-F242 HydrophobicContact CG-CG 4.27Å; G238-F242 PolarHBondContact O-N 2.98Å; Q239-F242 PolarHBondContact O-N 3.43Å; F242-I244 VanDerWaalsContact C-N 3.26Å; F242-I244 PolarHBondContact O-N 2.64Å; F242-I245 CarbonylContact O-C 3.59Å; F242-I245 PolarHBondContact O-N 2.68Å; F242-I245 VanDerWaalsContact O-N 3.08Å; F242-A246 HydrophobicContact CE1-CB 4.15Å; F242-A246 HydrophobicContact CE2-CB 4.29Å; F242-A246 HydrophobicContact CZ-CB 3.96Å; F242-A246 VanDerWaalsContact O-CB 3.3Å; F242-A246 WeakPolarHBondContact O-CB 3.39Å; F242-A246 PolarHBondContact O-N 3.36Å |
| 243 | S | 95.3 | Very high | 94.4 | Very high | 69 Ų | 69 | 59.4 Ų | 59.4 | 48% | 0.483 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -55.8 | -40.7 | 177.5 | 179.2 | 0 | 0 | 0 | 0 | 112.3 | Q239 K240 Y247 | Q239-S243 WeakPolarHBondContact O-CB 3.11Å; Q239-S243 PolarHBondContact O-N 3.05Å; K240-S243 WeakPolarHBondContact O-CB 3.14Å; K240-S243 PolarHBondContact O-N 3.22Å; S243-Y247 WeakPolarHBondContact O-CB 3.2Å; S243-Y247 PolarHBondContact O-N 2.89Å |
| 244 | I | 92.9 | Very high | 94.2 | Very high | 94 Ų | 94 | 63.6 Ų | 63.6 | 48% | 0.482 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.4 | -46 | 175.4 | -64.9 | 167.3 | 0 | 0 | 0 | 111.1 | K240 A241 F242 Y247 I248 | K240-I244 WeakPolarHBondContact O-CG1 3.43Å; K240-I244 PolarHBondContact O-N 3.4Å; A241-I244 PolarHBondContact O-N 2.98Å; F242-I244 VanDerWaalsContact C-N 3.26Å; F242-I244 PolarHBondContact O-N 2.64Å; I244-Y247 WeakPolarHBondContact O-CB 3.42Å; I244-Y247 PolarHBondContact O-N 3.35Å; I244-I248 HydrophobicContact CG2-CD1 4.44Å; I244-I248 WeakPolarHBondContact O-CG1 3.3Å; I244-I248 PolarHBondContact O-N 3.36Å; I244-I248 VanDerWaalsContact O-N 3.12Å |
| 245 | I | 93.3 | Very high | 94 | Very high | 23 Ų | 23 | 61.8 Ų | 61.8 | 12% | 0.118 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.6 | -41.7 | 179.1 | -69.6 | 167.7 | 0 | 0 | 0 | 111 | I72 V123 I130 M134 A241 F242 Y247 I248 A249 | I72-I245 HydrophobicContact CD1-CD1 3.88Å; I72-I245 HydrophobicContact CD1-CG1 3.89Å; I72-I245 HydrophobicContact CG1-CD1 4.4Å; V123-I245 HydrophobicContact CG1-CG2 3.99Å; I130-I245 HydrophobicContact CG2-CB 4.49Å; I130-I245 HydrophobicContact CG2-CD1 3.35Å; I130-I245 HydrophobicContact CG2-CG1 4.5Å; I130-I245 HydrophobicContact CG2-CG2 4.47Å; M134-I245 HydrophobicContact CE-CD1 4.1Å; A241-I245 PolarHBondContact O-N 3.4Å; A241-I245 VanDerWaalsContact O-N 3.09Å; F242-I245 CarbonylContact O-C 3.59Å; F242-I245 PolarHBondContact O-N 2.68Å; F242-I245 VanDerWaalsContact O-N 3.08Å; I245-Y247 VanDerWaalsContact C-N 3.33Å; I245-Y247 PolarHBondContact O-N 2.91Å; I245-I248 PolarHBondContact O-N 2.87Å; I245-A249 PolarHBondContact O-N 2.92Å |
| 246 | A | 94.7 | Very high | 94 | Very high | 8 Ų | 8 | 56.8 Ų | 56.8 | 7% | 0.066 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.6 | -42.1 | 176 | 0 | 0 | 0 | 0 | 0 | 110.9 | L124 F242 I248 A249 Y250 | L124-A246 HydrophobicContact CD2-CB 4.18Å; F242-A246 HydrophobicContact CE1-CB 4.15Å; F242-A246 HydrophobicContact CE2-CB 4.29Å; F242-A246 HydrophobicContact CZ-CB 3.96Å; F242-A246 VanDerWaalsContact O-CB 3.3Å; F242-A246 WeakPolarHBondContact O-CB 3.39Å; F242-A246 PolarHBondContact O-N 3.36Å; A246-I248 VanDerWaalsContact C-N 3.34Å; A246-I248 PolarHBondContact O-N 3.42Å; A246-A249 WeakPolarHBondContact O-CB 3.31Å; A246-A249 PolarHBondContact O-N 3.11Å; A246-A249 VanDerWaalsContact O-N 3.14Å; A246-Y250 HydrophobicContact CB-CE2 4.29Å; A246-Y250 WeakPolarHBondContact O-CD2 3.19Å; A246-Y250 PolarHBondContact O-N 3.08Å |
| 247 | Y | 94 | Very high | 94 | Very high | 151 Ų | 151 | 58.5 Ų | 58.5 | 59% | 0.592 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -58.3 | -44.2 | 173.8 | -179.1 | -102.1 | 0 | 0 | 0 | 112.3 | S243 I244 I245 A249 Y250 L251 | S243-Y247 WeakPolarHBondContact O-CB 3.2Å; S243-Y247 PolarHBondContact O-N 2.89Å; I244-Y247 WeakPolarHBondContact O-CB 3.42Å; I244-Y247 PolarHBondContact O-N 3.35Å; I245-Y247 VanDerWaalsContact C-N 3.33Å; I245-Y247 PolarHBondContact O-N 2.91Å; Y247-A249 VanDerWaalsContact C-N 3.35Å; Y247-A249 PolarHBondContact O-N 3.34Å; Y247-Y250 PolarHBondContact O-N 3.41Å; Y247-L251 HydrophobicContact CD1-CD1 3.98Å; Y247-L251 HydrophobicContact CD1-CG 4.47Å; Y247-L251 HydrophobicContact CE1-CD1 3.47Å; Y247-L251 VanDerWaalsContact CE1-CD1 3.47Å; Y247-L251 HydrophobicContact CE1-CG 4.1Å; Y247-L251 WeakPolarHBondContact O-CG 3.03Å; Y247-L251 PolarHBondContact O-N 3.38Å |
| 248 | I | 92.6 | Very high | 93.9 | Very high | 56 Ų | 56 | 60.6 Ų | 60.6 | 29% | 0.287 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.4 | -42.3 | 174.3 | -64 | 168.3 | 0 | 0 | 0 | 111 | I72 L76 I244 I245 A246 Y250 L251 S252 | I72-I248 HydrophobicContact CG2-CD1 4.41Å; L76-I248 HydrophobicContact CD1-CG2 4.32Å; L76-I248 HydrophobicContact CD2-CG2 4.32Å; I244-I248 HydrophobicContact CG2-CD1 4.44Å; I244-I248 WeakPolarHBondContact O-CG1 3.3Å; I244-I248 PolarHBondContact O-N 3.36Å; I244-I248 VanDerWaalsContact O-N 3.12Å; I245-I248 PolarHBondContact O-N 2.87Å; A246-I248 VanDerWaalsContact C-N 3.34Å; A246-I248 PolarHBondContact O-N 3.42Å; I248-Y250 PolarHBondContact O-N 3.32Å; I248-L251 PolarHBondContact O-N 2.97Å; I248-S252 PolarHBondContact O-N 3.2Å |
| 249 | A | 92.8 | Very high | 93.9 | Very high | 11 Ų | 11 | 60.6 Ų | 60.6 | 9% | 0.091 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61 | -43.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L124 I245 A246 Y247 S252 I253 | L124-A249 HydrophobicContact CD2-CB 4.42Å; I245-A249 PolarHBondContact O-N 2.92Å; A246-A249 WeakPolarHBondContact O-CB 3.31Å; A246-A249 PolarHBondContact O-N 3.11Å; A246-A249 VanDerWaalsContact O-N 3.14Å; Y247-A249 VanDerWaalsContact C-N 3.35Å; Y247-A249 PolarHBondContact O-N 3.34Å; A249-S252 WeakPolarHBondContact O-CB 3Å; A249-S252 PolarHBondContact O-N 2.67Å; A249-S252 VanDerWaalsContact O-N 3.15Å; A249-S252 PolarHBondContact O-OG 3.45Å; A249-I253 PolarHBondContact O-N 2.92Å |
| 250 | Y | 93.1 | Very high | 93.9 | Very high | 137 Ų | 137 | 60.5 Ų | 60.5 | 54% | 0.537 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.7 | -43.1 | 174.8 | -72.4 | -58.8 | 0 | 0 | 0 | 112.5 | L124 A246 Y247 I248 S252 I253 | L124-Y250 HydrophobicContact CD1-CE1 4.09Å; A246-Y250 HydrophobicContact CB-CE2 4.29Å; A246-Y250 WeakPolarHBondContact O-CD2 3.19Å; A246-Y250 PolarHBondContact O-N 3.08Å; Y247-Y250 PolarHBondContact O-N 3.41Å; I248-Y250 PolarHBondContact O-N 3.32Å; Y250-S252 PolarHBondContact O-N 2.93Å; Y250-I253 HydrophobicContact CD1-CD1 3.89Å; Y250-I253 VanDerWaalsContact O-CB 3.32Å; Y250-I253 WeakPolarHBondContact O-CB 3.26Å; Y250-I253 PolarHBondContact O-N 3.07Å; Y250-I253 VanDerWaalsContact O-N 3.11Å |
| 251 | L | 92.5 | Very high | 93.9 | Very high | 88 Ų | 88 | 56.9 Ų | 56.9 | 46% | 0.461 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58.4 | -37.2 | 173.8 | -73.5 | 177.9 | 0 | 0 | 0 | 111.6 | Y247 I248 I253 T254 | Y247-L251 HydrophobicContact CD1-CD1 3.98Å; Y247-L251 HydrophobicContact CD1-CG 4.47Å; Y247-L251 HydrophobicContact CE1-CD1 3.47Å; Y247-L251 VanDerWaalsContact CE1-CD1 3.47Å; Y247-L251 HydrophobicContact CE1-CG 4.1Å; Y247-L251 WeakPolarHBondContact O-CG 3.03Å; Y247-L251 PolarHBondContact O-N 3.38Å; I248-L251 PolarHBondContact O-N 2.97Å; L251-I253 PolarHBondContact O-N 3.31Å; L251-T254 WeakPolarHBondContact O-CB 3.28Å; L251-T254 PolarHBondContact O-N 3.19Å; L251-T254 PolarHBondContact O-OG1 3.02Å |
| 252 | S | 93 | Very high | 94 | Very high | 28 Ų | 28 | 56.4 Ų | 56.4 | 20% | 0.196 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.3 | -15.1 | 179.9 | 83.5 | 0 | 0 | 0 | 0 | 114.3 | H116 I120 I248 A249 Y250 T254 L255 I256 | H116-S252 PolarHBondContact CE1-O 3.33Å; H116-S252 VanDerWaalsContact CE1-O 3.24Å; H116-S252 WeakPolarHBondContact NE2-CB 3.34Å; H116-S252 PolarHBondContact NE2-OG 3.25Å; I120-S252 VanDerWaalsContact CD1-OG 3.28Å; I120-S252 WeakPolarHBondContact CD1-OG 3.35Å; I248-S252 PolarHBondContact O-N 3.2Å; A249-S252 WeakPolarHBondContact O-CB 3Å; A249-S252 PolarHBondContact O-N 2.67Å; A249-S252 VanDerWaalsContact O-N 3.15Å; A249-S252 PolarHBondContact O-OG 3.45Å; Y250-S252 PolarHBondContact O-N 2.93Å; S252-T254 PolarHBondContact O-N 3.46Å; S252-L255 VanDerWaalsContact O-CB 3.3Å; S252-L255 WeakPolarHBondContact O-CB 3.47Å; S252-L255 PolarHBondContact O-N 3.49Å; S252-L255 VanDerWaalsContact O-N 3.12Å; S252-I256 PolarHBondContact O-N 2.98Å |
| 253 | I | 93.5 | Very high | 94 | Very high | 70 Ų | 70 | 55.5 Ų | 55.5 | 36% | 0.359 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.2 | -32.5 | 172.7 | -61.9 | 175 | 0 | 0 | 0 | 110.9 | I120 A249 Y250 L251 L255 I256 V257 | I120-I253 HydrophobicContact CD1-CG1 4.07Å; A249-I253 PolarHBondContact O-N 2.92Å; Y250-I253 HydrophobicContact CD1-CD1 3.89Å; Y250-I253 VanDerWaalsContact O-CB 3.32Å; Y250-I253 WeakPolarHBondContact O-CB 3.26Å; Y250-I253 PolarHBondContact O-N 3.07Å; Y250-I253 VanDerWaalsContact O-N 3.11Å; L251-I253 PolarHBondContact O-N 3.31Å; I253-L255 PolarHBondContact O-N 3.1Å; I253-I256 WeakPolarHBondContact O-CB 3.28Å; I253-I256 PolarHBondContact O-N 3.39Å; I253-V257 PolarHBondContact O-N 3.17Å; I253-V257 VanDerWaalsContact O-N 3.1Å |
| 254 | T | 92.3 | Very high | 94 | Very high | 89 Ų | 89 | 56.7 Ų | 56.7 | 55% | 0.546 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59 | -37.2 | 175.6 | 63.8 | 0 | 0 | 0 | 0 | 111.9 | L251 S252 V257 I258 | L251-T254 WeakPolarHBondContact O-CB 3.28Å; L251-T254 PolarHBondContact O-N 3.19Å; L251-T254 PolarHBondContact O-OG1 3.02Å; S252-T254 PolarHBondContact O-N 3.46Å; T254-V257 PolarHBondContact O-N 3.14Å; T254-I258 VanDerWaalsContact O-CG1 3.3Å; T254-I258 WeakPolarHBondContact O-CG1 3.08Å; T254-I258 PolarHBondContact O-N 2.63Å |
| 255 | L | 92.4 | Very high | 94.1 | Very high | 29 Ų | 29 | 53 Ų | 53 | 15% | 0.152 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66 | -37.3 | 176 | -173 | 65.7 | 0 | 0 | 0 | 111.7 | F83 Y87 S252 I253 I258 N259 | F83-L255 HydrophobicContact CE2-CD2 4.44Å; F83-L255 HydrophobicContact CZ-CD2 4.42Å; Y87-L255 HydrophobicContact CE2-CD1 4.47Å; Y87-L255 VanDerWaalsContact OH-CD1 3.28Å; Y87-L255 WeakPolarHBondContact OH-CD1 3.44Å; S252-L255 VanDerWaalsContact O-CB 3.3Å; S252-L255 WeakPolarHBondContact O-CB 3.47Å; S252-L255 PolarHBondContact O-N 3.49Å; S252-L255 VanDerWaalsContact O-N 3.12Å; I253-L255 PolarHBondContact O-N 3.1Å; L255-I258 PolarHBondContact O-N 3.08Å; L255-N259 WeakPolarHBondContact O-CB 3.42Å; L255-N259 VanDerWaalsContact O-CG 3.27Å; L255-N259 PolarHBondContact O-N 3.01Å; L255-N259 PolarHBondContact O-ND2 2.98Å; L255-N259 VanDerWaalsContact O-ND2 3.15Å |
| 256 | I | 95 | Very high | 94.1 | Very high | 16 Ų | 16 | 51.9 Ų | 51.9 | 8% | 0.082 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.1 | -47.7 | 175.3 | -64.8 | 173.3 | 0 | 0 | 0 | 110.3 | I113 H116 I117 I120 S252 I253 I258 N259 I260 | I113-I256 HydrophobicContact CG2-CG2 4.29Å; H116-I256 HydrophobicContact CB-CD1 4.47Å; H116-I256 HydrophobicContact CB-CG1 4.41Å; H116-I256 WeakPolarHBondContact ND1-CG1 3.21Å; I117-I256 HydrophobicContact CG1-CD1 3.91Å; I117-I256 HydrophobicContact CG1-CG2 4.44Å; I120-I256 HydrophobicContact CD1-CD1 3.57Å; S252-I256 PolarHBondContact O-N 2.98Å; I253-I256 WeakPolarHBondContact O-CB 3.28Å; I253-I256 PolarHBondContact O-N 3.39Å; I256-I258 VanDerWaalsContact C-N 3.31Å; I256-I258 PolarHBondContact O-N 2.81Å; I256-N259 PolarHBondContact O-N 3.3Å; I256-I260 HydrophobicContact CG2-CD1 3.9Å; I256-I260 HydrophobicContact CG2-CG1 4.47Å; I256-I260 WeakPolarHBondContact O-CG1 3.37Å; I256-I260 PolarHBondContact O-N 3.06Å |
| 257 | V | 95.3 | Very high | 94.1 | Very high | 92 Ų | 92 | 55.9 Ų | 55.9 | 56% | 0.558 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -59.8 | -43.4 | 178.7 | 176.4 | 0 | 0 | 0 | 0 | 111.1 | I253 T254 I260 A261 | I253-V257 PolarHBondContact O-N 3.17Å; I253-V257 VanDerWaalsContact O-N 3.1Å; T254-V257 PolarHBondContact O-N 3.14Å; V257-I260 PolarHBondContact O-N 3.36Å; V257-A261 PolarHBondContact O-N 3.45Å |
| 258 | I | 93.8 | Very high | 94 | Very high | 67 Ų | 67 | 52.5 Ų | 52.5 | 34% | 0.344 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62 | -44.3 | 176 | -70.7 | 167.3 | 0 | 0 | 0 | 111.3 | C16 T254 L255 I256 I260 A261 L262 | C16-I258 WeakPolarHBondContact SG-CG2 3.25Å; T254-I258 VanDerWaalsContact O-CG1 3.3Å; T254-I258 WeakPolarHBondContact O-CG1 3.08Å; T254-I258 PolarHBondContact O-N 2.63Å; L255-I258 PolarHBondContact O-N 3.08Å; I256-I258 VanDerWaalsContact C-N 3.31Å; I256-I258 PolarHBondContact O-N 2.81Å; I258-I260 VanDerWaalsContact C-N 3.35Å; I258-I260 PolarHBondContact O-N 3.42Å; I258-A261 WeakPolarHBondContact O-CB 3.38Å; I258-A261 PolarHBondContact O-N 3.07Å; I258-L262 HydrophobicContact CG2-CD1 4.25Å; I258-L262 PolarHBondContact O-N 2.87Å |
| 259 | N | 95.4 | Very high | 94 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.9 | -39.7 | 178.3 | -75.4 | -33.6 | 0 | 0 | 0 | 112.2 | F83 Y87 I113 L255 I256 A261 L262 V263 | F83-N259 VanDerWaalsContact CE1-ND2 3.33Å; F83-N259 WeakPolarHBondContact CE1-ND2 3.44Å; Y87-N259 PolarHBondContact OH-OD1 3.17Å; I113-N259 HydrophobicContact CD1-CB 3.75Å; I113-N259 HydrophobicContact CG1-CB 3.58Å; L255-N259 WeakPolarHBondContact O-CB 3.42Å; L255-N259 VanDerWaalsContact O-CG 3.27Å; L255-N259 PolarHBondContact O-N 3.01Å; L255-N259 PolarHBondContact O-ND2 2.98Å; L255-N259 VanDerWaalsContact O-ND2 3.15Å; I256-N259 PolarHBondContact O-N 3.3Å; N259-A261 VanDerWaalsContact C-N 3.33Å; N259-A261 PolarHBondContact O-N 2.95Å; N259-L262 PolarHBondContact O-N 3.19Å; N259-V263 WeakPolarHBondContact O-CG2 3.41Å; N259-V263 PolarHBondContact O-N 3.32Å |
| 260 | I | 96 | Very high | 94 | Very high | 78 Ų | 78 | 50.5 Ų | 50.5 | 40% | 0.4 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61 | -44.2 | 173.7 | -67.8 | 167.1 | 0 | 0 | 0 | 110.4 | I113 I256 V257 I258 L262 V263 I264 | I113-I260 HydrophobicContact CD1-CG1 4.1Å; I256-I260 HydrophobicContact CG2-CD1 3.9Å; I256-I260 HydrophobicContact CG2-CG1 4.47Å; I256-I260 WeakPolarHBondContact O-CG1 3.37Å; I256-I260 PolarHBondContact O-N 3.06Å; V257-I260 PolarHBondContact O-N 3.36Å; I258-I260 VanDerWaalsContact C-N 3.35Å; I258-I260 PolarHBondContact O-N 3.42Å; I260-L262 VanDerWaalsContact C-N 3.32Å; I260-L262 PolarHBondContact O-N 3.38Å; I260-V263 PolarHBondContact O-N 2.74Å; I260-I264 HydrophobicContact CG2-CD1 4.09Å; I260-I264 WeakPolarHBondContact O-CG1 3.49Å; I260-I264 PolarHBondContact O-N 3.05Å |
| 261 | A | 95 | Very high | 93.9 | Very high | 43 Ų | 43 | 50.7 Ų | 50.7 | 36% | 0.355 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.8 | -41 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V257 I258 N259 I264 C265 | V257-A261 PolarHBondContact O-N 3.45Å; I258-A261 WeakPolarHBondContact O-CB 3.38Å; I258-A261 PolarHBondContact O-N 3.07Å; N259-A261 VanDerWaalsContact C-N 3.33Å; N259-A261 PolarHBondContact O-N 2.95Å; A261-I264 PolarHBondContact O-N 3.01Å; A261-C265 PolarHBondContact O-N 3.37Å; A261-C265 PolarHBondContact O-SG 3.02Å; A261-C265 VanDerWaalsContact O-SG 3.38Å |
| 262 | L | 95.7 | Very high | 93.7 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.1 | -41.8 | 175.1 | -74.2 | 170.4 | 0 | 0 | 0 | 112.2 | F9 L12 Y87 L109 I258 N259 I260 I264 C265 V266 | F9-L262 HydrophobicContact CD2-CD2 4.18Å; F9-L262 HydrophobicContact CE2-CD2 4.24Å; L12-L262 HydrophobicContact CB-CD2 3.76Å; L12-L262 HydrophobicContact CD1-CD2 4.41Å; Y87-L262 HydrophobicContact CD1-CD1 3.89Å; Y87-L262 HydrophobicContact CE1-CD1 3.37Å; L109-L262 HydrophobicContact CD1-CB 3.83Å; I258-L262 HydrophobicContact CG2-CD1 4.25Å; I258-L262 PolarHBondContact O-N 2.87Å; N259-L262 PolarHBondContact O-N 3.19Å; I260-L262 VanDerWaalsContact C-N 3.32Å; I260-L262 PolarHBondContact O-N 3.38Å; L262-I264 VanDerWaalsContact C-N 3.34Å; L262-I264 PolarHBondContact O-N 3.01Å; L262-C265 WeakPolarHBondContact O-CB 3.44Å; L262-C265 PolarHBondContact O-N 2.86Å; L262-V266 VanDerWaalsContact O-CG2 3.24Å; L262-V266 WeakPolarHBondContact O-CG2 3.25Å; L262-V266 PolarHBondContact O-N 3Å |
| 263 | V | 96.1 | Very high | 93.4 | Very high | 16 Ų | 16 | 48.5 Ų | 48.5 | 10% | 0.097 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.6 | -45.1 | 174.4 | 169 | 0 | 0 | 0 | 0 | 110.7 | E106 L109 I113 N259 I260 C265 V266 I267 | E106-V263 HydrophobicContact CG-CG1 4.37Å; L109-V263 HydrophobicContact CB-CG2 3.85Å; L109-V263 HydrophobicContact CD1-CG2 4.1Å; I113-V263 HydrophobicContact CD1-CG2 3.94Å; N259-V263 WeakPolarHBondContact O-CG2 3.41Å; N259-V263 PolarHBondContact O-N 3.32Å; I260-V263 PolarHBondContact O-N 2.74Å; V263-C265 VanDerWaalsContact C-N 3.34Å; V263-C265 PolarHBondContact O-N 3.12Å; V263-V266 PolarHBondContact O-N 2.86Å; V263-V266 VanDerWaalsContact O-N 3.14Å; V263-I267 HydrophobicContact CG1-CD1 3.94Å; V263-I267 WeakPolarHBondContact O-CG1 2.95Å; V263-I267 PolarHBondContact O-N 3.37Å |
| 264 | I | 95.2 | Very high | 93 | Very high | 93 Ų | 93 | 52.6 Ų | 52.6 | 48% | 0.477 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.3 | -45.7 | 175.6 | -66.1 | 166 | 0 | 0 | 0 | 110.7 | I260 A261 L262 V266 I267 L268 | I260-I264 HydrophobicContact CG2-CD1 4.09Å; I260-I264 WeakPolarHBondContact O-CG1 3.49Å; I260-I264 PolarHBondContact O-N 3.05Å; A261-I264 PolarHBondContact O-N 3.01Å; L262-I264 VanDerWaalsContact C-N 3.34Å; L262-I264 PolarHBondContact O-N 3.01Å; I264-V266 VanDerWaalsContact C-N 3.29Å; I264-V266 PolarHBondContact O-N 2.9Å; I264-I267 PolarHBondContact O-N 2.02Å; I264-L268 HydrophobicContact CG2-CD1 4.22Å; I264-L268 WeakPolarHBondContact O-CG 3.03Å; I264-L268 PolarHBondContact O-N 3.09Å |
| 265 | C | 93.9 | Very high | 92.5 | Very high | 16 Ų | 16 | 54 Ų | 54 | 11% | 0.108 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.4 | -41.3 | 175.8 | -72 | 0 | 0 | 0 | 0 | 112.2 | F9 A261 L262 V263 L268 V269 | F9-C265 HydrophobicContact CB-CB 4.2Å; F9-C265 HydrophobicContact CD2-CB 3.84Å; F9-C265 HydrophobicContact CG-CB 4.48Å; A261-C265 PolarHBondContact O-N 3.37Å; A261-C265 PolarHBondContact O-SG 3.02Å; A261-C265 VanDerWaalsContact O-SG 3.38Å; L262-C265 WeakPolarHBondContact O-CB 3.44Å; L262-C265 PolarHBondContact O-N 2.86Å; V263-C265 VanDerWaalsContact C-N 3.34Å; V263-C265 PolarHBondContact O-N 3.12Å; C265-L268 PolarHBondContact O-N 2.59Å; C265-V269 WeakPolarHBondContact O-CG2 3.42Å; C265-V269 PolarHBondContact O-N 2.87Å |
| 266 | V | 94.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.3 | -44 | 178.7 | 175.8 | 0 | 0 | 0 | 0 | 111.3 | F9 F102 Y105 E106 L262 V263 I264 L268 V269 L270 | F9-V266 HydrophobicContact CD2-CG2 4.02Å; F9-V266 HydrophobicContact CE2-CG2 3.32Å; F9-V266 HydrophobicContact CZ-CG2 3.85Å; F102-V266 HydrophobicContact CB-CG1 4.13Å; F102-V266 HydrophobicContact CD1-CG1 4.08Å; F102-V266 WeakPolarHBondContact O-CG1 3.49Å; Y105-V266 HydrophobicContact CD1-CG2 3.54Å; Y105-V266 HydrophobicContact CE1-CG2 3.72Å; E106-V266 HydrophobicContact CB-CG1 3.8Å; E106-V266 HydrophobicContact CG-CG1 4.41Å; L262-V266 VanDerWaalsContact O-CG2 3.24Å; L262-V266 WeakPolarHBondContact O-CG2 3.25Å; L262-V266 PolarHBondContact O-N 3Å; V263-V266 PolarHBondContact O-N 2.86Å; V263-V266 VanDerWaalsContact O-N 3.14Å; I264-V266 VanDerWaalsContact C-N 3.29Å; I264-V266 PolarHBondContact O-N 2.9Å; V266-L268 VanDerWaalsContact C-N 3.28Å; V266-L268 PolarHBondContact O-N 3.32Å; V266-V269 PolarHBondContact O-N 2.95Å; V266-L270 HydrophobicContact CG1-CD1 3.97Å; V266-L270 HydrophobicContact CG1-CG 4.32Å; V266-L270 WeakPolarHBondContact O-CB 3.18Å; V266-L270 WeakPolarHBondContact O-CG 3.37Å; V266-L270 PolarHBondContact O-N 2.96Å |
| 267 | I | 93.8 | Very high | 90.4 | Very high | 92 Ų | 92 | 68.9 Ų | 68.9 | 47% | 0.472 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -59.4 | -41.9 | 176.6 | -67.2 | 167.1 | 0 | 0 | 0 | 110.7 | V263 I264 L270 K271 | V263-I267 HydrophobicContact CG1-CD1 3.94Å; V263-I267 WeakPolarHBondContact O-CG1 2.95Å; V263-I267 PolarHBondContact O-N 3.37Å; I264-I267 PolarHBondContact O-N 2.02Å; I267-L270 PolarHBondContact O-N 3.02Å; I267-K271 WeakPolarHBondContact O-CB 3.38Å; I267-K271 PolarHBondContact O-N 2.95Å |
| 268 | L | 93.2 | Very high | 90.1 | Very high | 80 Ų | 80 | 67.7 Ų | 67.7 | 42% | 0.419 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.5 | -42.5 | 176.6 | -67.9 | 174.7 | 0 | 0 | 0 | 112.3 | V5 I264 C265 V266 K271 E272 | V5-L268 HydrophobicContact CG1-CB 3.75Å; V5-L268 HydrophobicContact CG1-CD1 4.38Å; I264-L268 HydrophobicContact CG2-CD1 4.22Å; I264-L268 WeakPolarHBondContact O-CG 3.03Å; I264-L268 PolarHBondContact O-N 3.09Å; C265-L268 PolarHBondContact O-N 2.59Å; V266-L268 VanDerWaalsContact C-N 3.28Å; V266-L268 PolarHBondContact O-N 3.32Å; L268-K271 WeakPolarHBondContact O-CB 3.43Å; L268-K271 PolarHBondContact O-N 3.23Å; L268-E272 PolarHBondContact O-N 2.81Å; L268-E272 VanDerWaalsContact O-N 3.08Å |
| 269 | V | 92.1 | Very high | 89.9 | Confident | 2 Ų | 2 | 67.7 Ų | 67.7 | 1% | 0.012 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.2 | -41.4 | 175.8 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | V5 R6 F102 C265 V266 E272 I273 | V5-V269 HydrophobicContact CB-CG2 4.42Å; V5-V269 HydrophobicContact CG1-CG2 3.76Å; R6-V269 HydrophobicContact CB-CG2 4.38Å; F102-V269 HydrophobicContact CD1-CB 4.49Å; F102-V269 HydrophobicContact CD1-CG1 4.06Å; F102-V269 HydrophobicContact CD2-CG1 4.42Å; F102-V269 HydrophobicContact CE1-CB 4.23Å; F102-V269 HydrophobicContact CE1-CG1 3.63Å; F102-V269 HydrophobicContact CE2-CG1 4.04Å; F102-V269 HydrophobicContact CG-CG1 4.43Å; F102-V269 HydrophobicContact CZ-CG1 3.62Å; C265-V269 WeakPolarHBondContact O-CG2 3.42Å; C265-V269 PolarHBondContact O-N 2.87Å; V266-V269 PolarHBondContact O-N 2.95Å; V269-E272 WeakPolarHBondContact O-CB 3.19Å; V269-E272 PolarHBondContact O-N 2.77Å; V269-I273 HydrophobicContact CG1-CD1 3.84Å; V269-I273 HydrophobicContact CG1-CG1 4.4Å; V269-I273 WeakPolarHBondContact O-CG1 3.2Å; V269-I273 PolarHBondContact O-N 3.34Å |
| 270 | L | 91.9 | Very high | 89.6 | Confident | 23 Ų | 23 | 71.5 Ų | 71.5 | 12% | 0.12 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -57.4 | -53.3 | 172.9 | -76.7 | 169.4 | 0 | 0 | 0 | 109.2 | F102 V266 I267 E272 I273 W274 | F102-L270 HydrophobicContact CB-CD1 4.48Å; F102-L270 HydrophobicContact CB-CD2 3.6Å; F102-L270 HydrophobicContact CB-CG 3.94Å; V266-L270 HydrophobicContact CG1-CD1 3.97Å; V266-L270 HydrophobicContact CG1-CG 4.32Å; V266-L270 WeakPolarHBondContact O-CB 3.18Å; V266-L270 WeakPolarHBondContact O-CG 3.37Å; V266-L270 PolarHBondContact O-N 2.96Å; I267-L270 PolarHBondContact O-N 3.02Å; L270-E272 PolarHBondContact O-N 2.88Å; L270-E272 VanDerWaalsContact O-N 3.12Å; L270-I273 PolarHBondContact O-N 2.94Å; L270-W274 PolarHBondContact O-N 2.84Å |
| 271 | K | 91.5 | Very high | 89.3 | Confident | 141 Ų | 141 | 71.1 Ų | 71.1 | 61% | 0.613 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -50.5 | -43 | 177.7 | -173.4 | -178.1 | 178.4 | -178.5 | 0 | 112.5 | I267 L268 I275 | I267-K271 WeakPolarHBondContact O-CB 3.38Å; I267-K271 PolarHBondContact O-N 2.95Å; L268-K271 WeakPolarHBondContact O-CB 3.43Å; L268-K271 PolarHBondContact O-N 3.23Å; K271-I275 HydrophobicContact CG-CD1 4.14Å; K271-I275 WeakPolarHBondContact O-CD1 3.45Å; K271-I275 WeakPolarHBondContact O-CG1 3.35Å; K271-I275 PolarHBondContact O-N 3.41Å |
| 272 | E | 87.6 | Confident | 88.9 | Confident | 56 Ų | 56 | 72.9 Ų | 72.9 | 26% | 0.262 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.5 | -47.2 | 174.6 | -70.1 | 177.8 | 169.1 | 0 | 0 | 112.6 | S3 V5 L268 V269 L270 W274 I275 Y276 | S3-E272 VanDerWaalsContact CB-OE1 3.3Å; S3-E272 WeakPolarHBondContact CB-OE1 3.43Å; S3-E272 WeakPolarHBondContact CB-OE2 3.49Å; S3-E272 PolarHBondContact OG-OE1 2.86Å; S3-E272 PolarHBondContact OG-OE2 3.35Å; V5-E272 WeakPolarHBondContact CG2-OE1 3.27Å; L268-E272 PolarHBondContact O-N 2.81Å; L268-E272 VanDerWaalsContact O-N 3.08Å; V269-E272 WeakPolarHBondContact O-CB 3.19Å; V269-E272 PolarHBondContact O-N 2.77Å; L270-E272 PolarHBondContact O-N 2.88Å; L270-E272 VanDerWaalsContact O-N 3.12Å; E272-W274 PolarHBondContact O-N 2.84Å; E272-I275 PolarHBondContact O-N 2.95Å; E272-Y276 WeakPolarHBondContact O-CD2 3.45Å |
| 273 | I | 86.7 | Confident | 88.5 | Confident | 15 Ų | 15 | 77.7 Ų | 77.7 | 8% | 0.077 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.6 | -42.5 | -178.4 | -64.9 | 165.4 | 0 | 0 | 0 | 111.3 | S99 F102 V269 L270 I275 Y276 L277 | S99-I273 WeakPolarHBondContact OG-CG2 3.4Å; F102-I273 HydrophobicContact CD2-CD1 3.84Å; F102-I273 HydrophobicContact CE2-CD1 3.96Å; V269-I273 HydrophobicContact CG1-CD1 3.84Å; V269-I273 HydrophobicContact CG1-CG1 4.4Å; V269-I273 WeakPolarHBondContact O-CG1 3.2Å; V269-I273 PolarHBondContact O-N 3.34Å; L270-I273 PolarHBondContact O-N 2.94Å; I273-I275 VanDerWaalsContact C-N 3.33Å; I273-I275 PolarHBondContact O-N 3.37Å; I273-Y276 PolarHBondContact O-N 3.34Å; I273-L277 PolarHBondContact O-N 2.69Å |
| 274 | W | 86.4 | Confident | 87.9 | Confident | 156 Ų | 156 | 82.1 Ų | 82.1 | 59% | 0.591 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -69.1 | -27.7 | -179.4 | -75.6 | 83.3 | 0 | 0 | 0 | 113 | L270 E272 Y276 L277 | L270-W274 PolarHBondContact O-N 2.84Å; E272-W274 PolarHBondContact O-N 2.84Å; W274-Y276 PolarHBondContact O-N 3.34Å; W274-L277 PolarHBondContact O-N 2.69Å |
| 275 | I | 82 | Confident | 87.4 | Confident | 118 Ų | 118 | 81.2 Ų | 81.2 | 61% | 0.605 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -67.4 | -25.6 | 173.5 | -71.7 | 163.7 | 0 | 0 | 0 | 111.8 | K271 E272 I273 | K271-I275 HydrophobicContact CG-CD1 4.14Å; K271-I275 WeakPolarHBondContact O-CD1 3.45Å; K271-I275 WeakPolarHBondContact O-CG1 3.35Å; K271-I275 PolarHBondContact O-N 3.41Å; E272-I275 PolarHBondContact O-N 2.95Å; I273-I275 VanDerWaalsContact C-N 3.33Å; I273-I275 PolarHBondContact O-N 3.37Å |
| 276 | Y | 71.1 | Confident | 86.8 | Confident | 173 Ų | 173 | 86.7 Ų | 86.7 | 68% | 0.678 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | 8.1 | -180 | -64.3 | -69.2 | 0 | 0 | 0 | 114.1 | R97 E272 I273 W274 | R97-Y276 VanDerWaalsContact NH2-CB 3.29Å; R97-Y276 PolarHBondContact NH2-O 2.85Å; E272-Y276 WeakPolarHBondContact O-CD2 3.45Å; I273-Y276 PolarHBondContact O-N 3.34Å; W274-Y276 PolarHBondContact O-N 3.34Å |
| 277 | L | 71.2 | Confident | 86.1 | Confident | 184 Ų | 184 | 94.5 Ų | 94.5 | 96% | 0.963 | 44% | 0.438 | S | S | * | . | trans | -100.3 | 0 | 173.2 | -159.8 | 86.6 | 0 | 0 | 0 | 109 | I273 W274 | I273-L277 PolarHBondContact O-N 2.69Å; W274-L277 PolarHBondContact O-N 2.69Å |
Retrieved 277 of 277 residues in 810.6 ms
(Link to these results)