| 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 | 20.1 | Very low | 35.5 | Very low | 242 Ų | 242 | 116.3 Ų | 116.3 | 100% | 1.192 | 61% | 0.609 | S | S | * | * | 0 | 52.1 | 0 | -160.9 | 175.2 | -161.6 | 0 | 0 | 109.1 | |||||
| 2 | C | 21.5 | Very low | 38.9 | Very low | 100 Ų | 100 | 106.8 Ų | 106.8 | 68% | 0.676 | 56% | 0.559 | S | S | * | * | trans | -146.3 | 69.2 | -170.9 | -61.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 3 | H | 22.5 | Very low | 41.9 | Very low | 194 Ų | 194 | 98.8 Ų | 98.8 | 90% | 0.898 | 52% | 0.518 | S | S | * | . | trans | -101.2 | 95.6 | 150.5 | -93.3 | -82 | 0 | 0 | 0 | 105.5 | ||||
| 4 | V | 29.9 | Very low | 43.9 | Very low | 94 Ų | 94 | 95.9 Ų | 95.9 | 57% | 0.57 | 50% | 0.502 | S | S | * | . | trans | -117.9 | 131 | 166.3 | -174.6 | 0 | 0 | 0 | 0 | 105.2 | D168 | V4-D168 WeakPolarHBondContact CG1-OD2 3.45Š| ||
| 5 | V | 29.4 | Very low | 46 | Very low | 106 Ų | 106 | 91.7 Ų | 91.7 | 64% | 0.642 | 48% | 0.481 | S | S | * | . | trans | -98.5 | 119.9 | -169.9 | 176.8 | 0 | 0 | 0 | 0 | 108.7 | R7 | V5-R7 VanDerWaalsContact C-N 3.26Å; V5-R7 HydrophobicContact CG1-CG 4.2Å; V5-R7 PolarHBondContact O-N 2.59Å | ||
| 6 | C | 31.7 | Very low | 48.1 | Very low | 44 Ų | 44 | 85.9 Ų | 85.9 | 30% | 0.297 | 45% | 0.45 | S | S | . | . | trans | -62.4 | 79.5 | 173.8 | -59.6 | 0 | 0 | 0 | 0 | 111.7 | G8 G9 D168 | C6-G8 PolarHBondContact O-N 2.97Å; C6-G9 PolarHBondContact O-N 3.38Å; C6-D168 WeakPolarHBondContact SG-CB 3.43Å; C6-D168 PolarHBondContact SG-O 2.69Å; C6-D168 VanDerWaalsContact SG-O 3.39Å | ||
| 7 | R | 30.7 | Very low | 49.5 | Very low | 248 Ų | 248 | 83.7 Ų | 83.7 | 94% | 0.936 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | 31.2 | 180 | -72.7 | -177.8 | 170.5 | -177.5 | -4.1 | 114.3 | V5 | V5-R7 VanDerWaalsContact C-N 3.26Å; V5-R7 HydrophobicContact CG1-CG 4.2Å; V5-R7 PolarHBondContact O-N 2.59Å |
| 8 | G | 36.9 | Very low | 51 | Low | 38 Ų | 38 | 84.4 Ų | 84.4 | 39% | 0.392 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -155.3 | 8.9 | 178 | 0 | 0 | 0 | 0 | 0 | 114.5 | C6 | C6-G8 PolarHBondContact O-N 2.97Š|
| 9 | G | 43.4 | Very low | 52.3 | Low | 24 Ų | 24 | 85.9 Ų | 85.9 | 25% | 0.247 | 45% | 0.446 | C | S | . | . | trans | -72.3 | 136.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | C6 N14 | C6-G9 PolarHBondContact O-N 3.38Å; G9-N14 PolarHBondContact O-ND2 3.25Å; G9-N14 VanDerWaalsContact O-ND2 3.16Å | ||
| 10 | G | 58.9 | Low | 53.6 | Low | 21 Ų | 21 | 85.1 Ų | 85.1 | 22% | 0.216 | 44% | 0.443 | C | S | . | . | trans | -59.6 | 145.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111 | L12 Q13 N14 | G10-L12 VanDerWaalsContact C-N 3.29Å; G10-L12 PolarHBondContact O-N 3.05Å; G10-Q13 VanDerWaalsContact CA-OE1 3.3Å; G10-Q13 PolarHBondContact O-N 3.43Å; G10-Q13 VanDerWaalsContact O-N 3.14Å; G10-Q13 PolarHBondContact O-OE1 2.68Å; G10-N14 PolarHBondContact O-N 3.21Å | ||
| 11 | R | 65.7 | Low | 54.8 | Low | 168 Ų | 168 | 83.2 Ų | 83.2 | 63% | 0.634 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -58.5 | -39.4 | -172.7 | -78.8 | -178.2 | 170.9 | 165.8 | -7.8 | 112.7 | N14 L15 F27 Y32 | R11-N14 PolarHBondContact O-N 3.19Å; R11-L15 WeakPolarHBondContact O-CG 3.27Å; R11-L15 PolarHBondContact O-N 2.92Å; R11-L15 VanDerWaalsContact O-N 3.09Å; R11-F27 HydrophobicContact CB-CE1 3.77Å; R11-F27 HydrophobicContact CB-CE2 4.41Å; R11-F27 HydrophobicContact CB-CZ 3.48Å; R11-F27 VanDerWaalsContact CB-CZ 3.48Å; R11-F27 HydrophobicContact CG-CZ 4.19Å; R11-Y32 PolarHBondContact NH1-OH 2.93Å |
| 12 | L | 75.7 | Confident | 57.7 | Low | 2 Ų | 2 | 78 Ų | 78 | 1% | 0.01 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -63.8 | -44.6 | 176.1 | -86 | 168.9 | 0 | 0 | 0 | 112.5 | G10 N14 L15 V16 L24 F27 I28 N33 T36 A44 | G10-L12 VanDerWaalsContact C-N 3.29Å; G10-L12 PolarHBondContact O-N 3.05Å; L12-N14 VanDerWaalsContact C-N 3.32Å; L12-N14 PolarHBondContact O-N 3.12Å; L12-L15 PolarHBondContact O-N 2.65Å; L12-V16 PolarHBondContact O-N 2.8Å; L12-V16 VanDerWaalsContact O-N 3.12Å; L12-L24 HydrophobicContact CD2-CD1 3.57Å; L12-F27 HydrophobicContact CD2-CD1 3.68Å; L12-F27 HydrophobicContact CD2-CE1 4.43Å; L12-F27 HydrophobicContact CG-CD1 3.71Å; L12-F27 HydrophobicContact CG-CE1 3.98Å; L12-I28 HydrophobicContact CD2-CD1 4.43Å; L12-I28 HydrophobicContact CD2-CG1 3.91Å; L12-N33 WeakPolarHBondContact CD1-O 3.46Å; L12-T36 WeakPolarHBondContact CD1-OG1 3.38Å; L12-A44 HydrophobicContact CB-CB 4.28Å |
| 13 | Q | 77.9 | Confident | 60.5 | Low | 4 Ų | 4 | 74.5 Ų | 74.5 | 2% | 0.019 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -59.9 | -43.5 | 175.7 | -68.2 | 74.7 | 5.6 | 0 | 0 | 110.8 | G10 L15 V16 L17 T36 N38 E42 V47 | G10-Q13 VanDerWaalsContact CA-OE1 3.3Å; G10-Q13 PolarHBondContact O-N 3.43Å; G10-Q13 VanDerWaalsContact O-N 3.14Å; G10-Q13 PolarHBondContact O-OE1 2.68Å; Q13-L15 VanDerWaalsContact C-N 3.32Å; Q13-L15 PolarHBondContact O-N 3.08Å; Q13-V16 WeakPolarHBondContact O-CB 3.05Å; Q13-V16 PolarHBondContact O-N 3.17Å; Q13-L17 WeakPolarHBondContact O-CG 3.48Å; Q13-L17 PolarHBondContact O-N 3.08Å; Q13-T36 PolarHBondContact NE2-O 3.13Å; Q13-N38 HydrophobicContact CG-CB 4.28Å; Q13-E42 PolarHBondContact NE2-O 3.33Å; Q13-V47 HydrophobicContact CB-CG2 4.39Å; Q13-V47 HydrophobicContact CG-CG2 3.98Å |
| 14 | N | 70.1 | Confident | 63.3 | Low | 57 Ų | 57 | 65.3 Ų | 65.3 | 31% | 0.305 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.5 | -35.9 | 177.6 | -67.4 | -19.1 | 0 | 0 | 0 | 112.6 | G9 G10 R11 L12 V16 L17 T18 | G9-N14 PolarHBondContact O-ND2 3.25Å; G9-N14 VanDerWaalsContact O-ND2 3.16Å; G10-N14 PolarHBondContact O-N 3.21Å; R11-N14 PolarHBondContact O-N 3.19Å; L12-N14 VanDerWaalsContact C-N 3.32Å; L12-N14 PolarHBondContact O-N 3.12Å; N14-V16 VanDerWaalsContact C-N 3.35Å; N14-L17 PolarHBondContact O-N 2.88Å; N14-T18 PolarHBondContact O-N 3.2Å; N14-T18 PolarHBondContact O-OG1 3.02Å |
| 15 | L | 75.7 | Confident | 65.7 | Low | 33 Ų | 33 | 63 Ų | 63 | 17% | 0.173 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.7 | -34.3 | 175.1 | -69.2 | 171.8 | 0 | 0 | 0 | 112.7 | R11 L12 Q13 T18 R19 D20 A23 L24 F27 | R11-L15 WeakPolarHBondContact O-CG 3.27Å; R11-L15 PolarHBondContact O-N 2.92Å; R11-L15 VanDerWaalsContact O-N 3.09Å; L12-L15 PolarHBondContact O-N 2.65Å; Q13-L15 VanDerWaalsContact C-N 3.32Å; Q13-L15 PolarHBondContact O-N 3.08Å; L15-T18 WeakPolarHBondContact CA-OG1 3.26Å; L15-T18 PolarHBondContact O-OG1 3.19Å; L15-T18 VanDerWaalsContact O-OG1 3.1Å; L15-R19 PolarHBondContact O-N 2.92Å; L15-D20 PolarHBondContact O-N 2.91Å; L15-A23 HydrophobicContact CD2-CB 3.74Å; L15-L24 HydrophobicContact CB-CB 4.49Å; L15-L24 HydrophobicContact CB-CD1 4.19Å; L15-F27 HydrophobicContact CD1-CB 3.71Å; L15-F27 HydrophobicContact CD1-CD1 4.03Å; L15-F27 HydrophobicContact CD1-CD2 4.04Å; L15-F27 HydrophobicContact CD1-CG 3.69Å |
| 16 | V | 79.1 | Confident | 68.2 | Low | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.8 | -45.7 | 168.9 | 174.4 | 0 | 0 | 0 | 0 | 110.6 | L12 Q13 N14 T18 R19 L24 A44 V47 A48 I56 L60 | L12-V16 PolarHBondContact O-N 2.8Å; L12-V16 VanDerWaalsContact O-N 3.12Å; Q13-V16 WeakPolarHBondContact O-CB 3.05Å; Q13-V16 PolarHBondContact O-N 3.17Å; N14-V16 VanDerWaalsContact C-N 3.35Å; V16-T18 VanDerWaalsContact C-N 3.29Å; V16-T18 PolarHBondContact O-N 3.33Å; V16-R19 WeakPolarHBondContact O-CA 3.37Å; V16-R19 PolarHBondContact O-N 3.43Å; V16-L24 HydrophobicContact CG2-CD1 4.19Å; V16-L24 HydrophobicContact CG2-CD2 4.33Å; V16-A44 HydrophobicContact CG2-CB 4.1Å; V16-V47 HydrophobicContact CB-CG1 4.37Å; V16-V47 HydrophobicContact CG1-CB 4.31Å; V16-V47 HydrophobicContact CG1-CG1 3.84Å; V16-A48 HydrophobicContact CG1-CB 3.89Å; V16-I56 HydrophobicContact CG1-CD1 4.47Å; V16-I56 HydrophobicContact CG1-CG2 4.18Å; V16-I56 HydrophobicContact CG2-CG2 3.96Å; V16-L60 HydrophobicContact CG2-CD1 4.44Å |
| 17 | L | 73.3 | Confident | 70.4 | Confident | 48 Ų | 48 | 60.4 Ų | 60.4 | 25% | 0.251 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.5 | -30.6 | 178.6 | -63.3 | 176.7 | 0 | 0 | 0 | 113.4 | Q13 N14 R19 V47 Y51 | Q13-L17 WeakPolarHBondContact O-CG 3.48Å; Q13-L17 PolarHBondContact O-N 3.08Å; N14-L17 PolarHBondContact O-N 2.88Å; L17-R19 VanDerWaalsContact C-N 3.31Å; L17-V47 HydrophobicContact CD2-CG1 3.74Å; L17-V47 HydrophobicContact CG-CG1 4.31Å; L17-Y51 HydrophobicContact CD2-CD2 4.19Å; L17-Y51 HydrophobicContact CD2-CE2 3.34Å |
| 18 | T | 75.8 | Confident | 72.8 | Confident | 97 Ų | 97 | 49.3 Ų | 49.3 | 60% | 0.595 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -6.1 | 172.4 | 55.2 | 0 | 0 | 0 | 0 | 113.6 | N14 L15 V16 D20 | N14-T18 PolarHBondContact O-N 3.2Å; N14-T18 PolarHBondContact O-OG1 3.02Å; L15-T18 WeakPolarHBondContact CA-OG1 3.26Å; L15-T18 PolarHBondContact O-OG1 3.19Å; L15-T18 VanDerWaalsContact O-OG1 3.1Å; V16-T18 VanDerWaalsContact C-N 3.29Å; V16-T18 PolarHBondContact O-N 3.33Å; T18-D20 PolarHBondContact O-N 2.77Å |
| 19 | R | 75.4 | Confident | 74.9 | Confident | 112 Ų | 112 | 52.1 Ų | 52.1 | 42% | 0.423 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 32 | -174.5 | -65.2 | -177.1 | 169.6 | 171.7 | -4.1 | 114.4 | L15 V16 L17 I21 D53 I56 | L15-R19 PolarHBondContact O-N 2.92Å; V16-R19 WeakPolarHBondContact O-CA 3.37Å; V16-R19 PolarHBondContact O-N 3.43Å; L17-R19 VanDerWaalsContact C-N 3.31Å; R19-I21 PolarHBondContact O-N 2.72Å; R19-D53 IonicContact CZ-OD1 2.6Å; R19-D53 VanDerWaalsContact CZ-OD1 3.26Å; R19-D53 IonicContact CZ-OD2 2.78Å; R19-D53 VanDerWaalsContact NE-CG 3.33Å; R19-D53 IonicContact NE-OD1 2.72Å; R19-D53 PolarHBondContact NE-OD1 3.43Å; R19-D53 IonicContact NE-OD2 3.7Å; R19-D53 PolarHBondContact NE-OD2 2.88Å; R19-D53 IonicContact NH2-OD1 3.53Å; R19-D53 PolarHBondContact NH2-OD1 3.39Å; R19-D53 IonicContact NH2-OD2 3.78Å; R19-I56 HydrophobicContact CB-CD1 4.24Å; R19-I56 HydrophobicContact CG-CD1 4.05Å |
| 20 | D | 78.9 | Confident | 76.5 | Confident | 70 Ų | 70 | 56.5 Ų | 56.5 | 37% | 0.374 | 30% | 0.295 | S | S | . | . | trans | -89.1 | 88.9 | 177.3 | -170.9 | -18.9 | 0 | 0 | 0 | 109.8 | L15 T18 N22 A23 L24 | L15-D20 PolarHBondContact O-N 2.91Å; T18-D20 PolarHBondContact O-N 2.77Å; D20-N22 VanDerWaalsContact C-N 3.25Å; D20-N22 PolarHBondContact O-N 3.26Å; D20-N22 PolarHBondContact OD1-N 3.15Å; D20-N22 VanDerWaalsContact OD1-N 3.13Å; D20-A23 HydrophobicContact CB-CB 3.95Å; D20-A23 PolarHBondContact O-N 3.29Å; D20-A23 PolarHBondContact OD1-N 2.87Å; D20-A23 WeakPolarHBondContact OD2-CB 3.37Å; D20-L24 VanDerWaalsContact O-CB 3.25Å; D20-L24 WeakPolarHBondContact O-CB 3.37Å; D20-L24 PolarHBondContact O-N 3.41Å | ||
| 21 | I | 78.8 | Confident | 77.3 | Confident | 46 Ų | 46 | 58.7 Ų | 58.7 | 24% | 0.236 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.6 | -35.7 | -179.8 | -62 | 172.3 | 0 | 0 | 0 | 111.1 | R19 L24 I25 E55 I56 V59 | R19-I21 PolarHBondContact O-N 2.72Å; I21-L24 PolarHBondContact O-N 3.48Å; I21-I25 HydrophobicContact CG2-CD1 3.72Å; I21-I25 HydrophobicContact CG2-CG1 4.36Å; I21-I25 WeakPolarHBondContact O-CB 3.39Å; I21-I25 VanDerWaalsContact O-CG1 3.25Å; I21-I25 WeakPolarHBondContact O-CG1 3.44Å; I21-I25 PolarHBondContact O-N 3.32Å; I21-E55 HydrophobicContact CD1-CB 4.1Å; I21-E55 WeakPolarHBondContact CD1-OE2 3.15Å; I21-I56 HydrophobicContact CD1-CG1 4.46Å; I21-I56 HydrophobicContact CG1-CG1 4.02Å; I21-V59 HydrophobicContact CG2-CG2 4.18Å |
| 22 | N | 81.4 | Confident | 77.8 | Confident | 131 Ų | 131 | 55.3 Ų | 55.3 | 70% | 0.701 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -72.3 | -45.4 | -178.3 | -70.8 | -37.5 | 0 | 0 | 0 | 111.3 | D20 L24 I25 S26 | D20-N22 VanDerWaalsContact C-N 3.25Å; D20-N22 PolarHBondContact O-N 3.26Å; D20-N22 PolarHBondContact OD1-N 3.15Å; D20-N22 VanDerWaalsContact OD1-N 3.13Å; N22-L24 VanDerWaalsContact C-N 3.34Å; N22-I25 PolarHBondContact O-N 3.09Å; N22-S26 VanDerWaalsContact O-CB 3.29Å; N22-S26 WeakPolarHBondContact O-CB 3.34Å; N22-S26 PolarHBondContact O-N 3.2Å |
| 23 | A | 79.2 | Confident | 78 | Confident | 28 Ų | 28 | 60 Ų | 60 | 23% | 0.231 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.2 | -39.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111.4 | L15 D20 S26 F27 | L15-A23 HydrophobicContact CD2-CB 3.74Å; D20-A23 HydrophobicContact CB-CB 3.95Å; D20-A23 PolarHBondContact O-N 3.29Å; D20-A23 PolarHBondContact OD1-N 2.87Å; D20-A23 WeakPolarHBondContact OD2-CB 3.37Å; A23-S26 PolarHBondContact O-N 3.17Å; A23-F27 VanDerWaalsContact O-CB 3.24Å; A23-F27 WeakPolarHBondContact O-CB 3.37Å; A23-F27 PolarHBondContact O-N 3.14Å |
| 24 | L | 81.1 | Confident | 78.3 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.1 | -50.9 | 175.1 | -176.6 | 68.9 | 0 | 0 | 0 | 111.8 | L12 L15 V16 D20 I21 N22 S26 F27 I28 I56 V59 L60 | L12-L24 HydrophobicContact CD2-CD1 3.57Å; L15-L24 HydrophobicContact CB-CB 4.49Å; L15-L24 HydrophobicContact CB-CD1 4.19Å; V16-L24 HydrophobicContact CG2-CD1 4.19Å; V16-L24 HydrophobicContact CG2-CD2 4.33Å; D20-L24 VanDerWaalsContact O-CB 3.25Å; D20-L24 WeakPolarHBondContact O-CB 3.37Å; D20-L24 PolarHBondContact O-N 3.41Å; I21-L24 PolarHBondContact O-N 3.48Å; N22-L24 VanDerWaalsContact C-N 3.34Å; L24-S26 PolarHBondContact O-N 2.92Å; L24-F27 PolarHBondContact O-N 3Å; L24-I28 HydrophobicContact CD1-CD1 4.17Å; L24-I28 HydrophobicContact CG-CD1 4.01Å; L24-I28 VanDerWaalsContact O-CG1 3.28Å; L24-I28 WeakPolarHBondContact O-CG1 3.31Å; L24-I28 PolarHBondContact O-N 2.93Å; L24-I56 HydrophobicContact CD2-CG2 3.73Å; L24-V59 HydrophobicContact CD2-CG1 4.41Å; L24-L60 HydrophobicContact CD2-CD2 4.36Å; L24-L60 HydrophobicContact CD2-CG 4.44Å |
| 25 | I | 81.6 | Confident | 79 | Confident | 47 Ų | 47 | 60.4 Ų | 60.4 | 24% | 0.241 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.9 | -43.6 | 177.8 | -71.2 | 169.4 | 0 | 0 | 0 | 111 | I21 N22 I28 N29 V59 | I21-I25 HydrophobicContact CG2-CD1 3.72Å; I21-I25 HydrophobicContact CG2-CG1 4.36Å; I21-I25 WeakPolarHBondContact O-CB 3.39Å; I21-I25 VanDerWaalsContact O-CG1 3.25Å; I21-I25 WeakPolarHBondContact O-CG1 3.44Å; I21-I25 PolarHBondContact O-N 3.32Å; N22-I25 PolarHBondContact O-N 3.09Å; I25-I28 PolarHBondContact O-N 3.24Å; I25-N29 WeakPolarHBondContact O-CB 3.47Å; I25-N29 PolarHBondContact O-N 3.31Å; I25-N29 PolarHBondContact O-ND2 3.02Å; I25-N29 PolarHBondContact O-OD1 2.9Å; I25-V59 HydrophobicContact CD1-CG1 4.1Å; I25-V59 HydrophobicContact CD1-CG2 4.31Å; I25-V59 HydrophobicContact CG1-CG1 3.64Å |
| 26 | S | 80.8 | Confident | 79.4 | Confident | 58 Ų | 58 | 61.2 Ų | 61.2 | 41% | 0.406 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60 | -46.5 | 176 | -178.4 | 0 | 0 | 0 | 0 | 111.7 | N22 A23 L24 I28 N29 N30 | N22-S26 VanDerWaalsContact O-CB 3.29Å; N22-S26 WeakPolarHBondContact O-CB 3.34Å; N22-S26 PolarHBondContact O-N 3.2Å; A23-S26 PolarHBondContact O-N 3.17Å; L24-S26 PolarHBondContact O-N 2.92Å; S26-I28 VanDerWaalsContact C-N 3.34Å; S26-I28 PolarHBondContact O-N 3.49Å; S26-N29 PolarHBondContact O-N 2.87Å; S26-N30 WeakPolarHBondContact O-CB 3.49Å; S26-N30 PolarHBondContact O-N 3.29Å; S26-N30 PolarHBondContact O-ND2 3.15Å; S26-N30 VanDerWaalsContact O-ND2 3.08Å |
| 27 | F | 78.6 | Confident | 79.6 | Confident | 37 Ų | 37 | 64.3 Ų | 64.3 | 16% | 0.162 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.2 | -39.6 | 180 | -152.1 | -104.9 | 0 | 0 | 0 | 112.2 | R11 L12 L15 A23 L24 N30 Y32 | R11-F27 HydrophobicContact CB-CE1 3.77Å; R11-F27 HydrophobicContact CB-CE2 4.41Å; R11-F27 HydrophobicContact CB-CZ 3.48Å; R11-F27 VanDerWaalsContact CB-CZ 3.48Å; R11-F27 HydrophobicContact CG-CZ 4.19Å; L12-F27 HydrophobicContact CD2-CD1 3.68Å; L12-F27 HydrophobicContact CD2-CE1 4.43Å; L12-F27 HydrophobicContact CG-CD1 3.71Å; L12-F27 HydrophobicContact CG-CE1 3.98Å; L15-F27 HydrophobicContact CD1-CB 3.71Å; L15-F27 HydrophobicContact CD1-CD1 4.03Å; L15-F27 HydrophobicContact CD1-CD2 4.04Å; L15-F27 HydrophobicContact CD1-CG 3.69Å; A23-F27 VanDerWaalsContact O-CB 3.24Å; A23-F27 WeakPolarHBondContact O-CB 3.37Å; A23-F27 PolarHBondContact O-N 3.14Å; L24-F27 PolarHBondContact O-N 3Å; F27-N30 PolarHBondContact O-N 2.96Å; F27-Y32 AromaticContact CD1-CD1 4Å; F27-Y32 HydrophobicContact CD1-CD1 4Å; F27-Y32 AromaticContact CD1-CD2 3.71Å; F27-Y32 HydrophobicContact CD1-CD2 3.71Å; F27-Y32 HydrophobicContact CD1-CE1 4.48Å; F27-Y32 HydrophobicContact CD1-CE2 4.25Å; F27-Y32 AromaticContact CD1-CG 3.56Å; F27-Y32 HydrophobicContact CD1-CG 3.56Å; F27-Y32 HydrophobicContact CD2-CD2 4.38Å; F27-Y32 HydrophobicContact CD2-CE2 4.37Å; F27-Y32 AromaticContact CE1-CD1 3.26Å; F27-Y32 HydrophobicContact CE1-CD1 3.26Å; F27-Y32 AromaticContact CE1-CD2 3.5Å; F27-Y32 HydrophobicContact CE1-CD2 3.5Å; F27-Y32 AromaticContact CE1-CE1 3.42Å; F27-Y32 HydrophobicContact CE1-CE1 3.42Å; F27-Y32 VanDerWaalsContact CE1-CE1 3.42Å; F27-Y32 AromaticContact CE1-CE2 3.67Å; F27-Y32 HydrophobicContact CE1-CE2 3.67Å; F27-Y32 AromaticContact CE1-CG 3.28Å; F27-Y32 HydrophobicContact CE1-CG 3.28Å; F27-Y32 AromaticContact CE1-CZ 3.61Å; F27-Y32 HydrophobicContact CE2-CD2 4.17Å; F27-Y32 AromaticContact CE2-CE2 3.78Å; F27-Y32 HydrophobicContact CE2-CE2 3.78Å; F27-Y32 HydrophobicContact CG-CD2 4.16Å; F27-Y32 HydrophobicContact CG-CG 4.43Å; F27-Y32 AromaticContact CZ-CD1 3.84Å; F27-Y32 HydrophobicContact CZ-CD1 3.84Å; F27-Y32 AromaticContact CZ-CD2 3.73Å; F27-Y32 HydrophobicContact CZ-CD2 3.73Å; F27-Y32 AromaticContact CZ-CE1 3.49Å; F27-Y32 HydrophobicContact CZ-CE1 3.49Å; F27-Y32 VanDerWaalsContact CZ-CE1 3.49Å; F27-Y32 AromaticContact CZ-CE2 3.38Å; F27-Y32 HydrophobicContact CZ-CE2 3.38Å; F27-Y32 AromaticContact CZ-CG 3.93Å; F27-Y32 HydrophobicContact CZ-CG 3.93Å; F27-Y32 AromaticContact CZ-CZ 3.23Å; F27-Y32 WeakPolarHBondContact O-CB 3.32Å |
| 28 | I | 79.8 | Confident | 79.8 | Confident | 14 Ų | 14 | 63 Ų | 63 | 7% | 0.072 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -68.6 | -43.2 | 174.4 | -67.1 | 170 | 0 | 0 | 0 | 111.5 | L12 L24 I25 S26 N30 G31 I34 L60 R63 | L12-I28 HydrophobicContact CD2-CD1 4.43Å; L12-I28 HydrophobicContact CD2-CG1 3.91Å; L24-I28 HydrophobicContact CD1-CD1 4.17Å; L24-I28 HydrophobicContact CG-CD1 4.01Å; L24-I28 VanDerWaalsContact O-CG1 3.28Å; L24-I28 WeakPolarHBondContact O-CG1 3.31Å; L24-I28 PolarHBondContact O-N 2.93Å; I25-I28 PolarHBondContact O-N 3.24Å; S26-I28 VanDerWaalsContact C-N 3.34Å; S26-I28 PolarHBondContact O-N 3.49Å; I28-N30 PolarHBondContact O-N 3.09Å; I28-G31 PolarHBondContact O-N 2.84Å; I28-G31 VanDerWaalsContact O-N 3.14Å; I28-I34 HydrophobicContact CB-CG1 4.46Å; I28-I34 HydrophobicContact CD1-CG1 4.19Å; I28-I34 HydrophobicContact CG1-CG1 4.01Å; I28-I34 HydrophobicContact CG2-CD1 3.71Å; I28-I34 HydrophobicContact CG2-CG1 3.71Å; I28-L60 HydrophobicContact CD1-CD2 3.89Å; I28-R63 HydrophobicContact CG2-CB 4.38Å; I28-R63 HydrophobicContact CG2-CG 4.42Å |
| 29 | N | 82.9 | Confident | 79.7 | Confident | 97 Ų | 97 | 64.3 Ų | 64.3 | 52% | 0.519 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -58.6 | -34.9 | 174.7 | -71.6 | -12.6 | 0 | 0 | 0 | 111.8 | I25 S26 G31 R63 | I25-N29 WeakPolarHBondContact O-CB 3.47Å; I25-N29 PolarHBondContact O-N 3.31Å; I25-N29 PolarHBondContact O-ND2 3.02Å; I25-N29 PolarHBondContact O-OD1 2.9Å; S26-N29 PolarHBondContact O-N 2.87Å; N29-G31 PolarHBondContact O-N 2.8Å; N29-G31 VanDerWaalsContact O-N 3.08Å; N29-R63 VanDerWaalsContact OD1-CZ 3.28Å; N29-R63 PolarHBondContact OD1-NH1 2.79Å; N29-R63 PolarHBondContact OD1-NH2 3.33Å |
| 30 | N | 77.1 | Confident | 79.4 | Confident | 117 Ų | 117 | 61.6 Ų | 61.6 | 63% | 0.626 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | 19.8 | 177.9 | -63.5 | -25.9 | 0 | 0 | 0 | 113.8 | S26 F27 I28 Y32 | S26-N30 WeakPolarHBondContact O-CB 3.49Å; S26-N30 PolarHBondContact O-N 3.29Å; S26-N30 PolarHBondContact O-ND2 3.15Å; S26-N30 VanDerWaalsContact O-ND2 3.08Å; F27-N30 PolarHBondContact O-N 2.96Å; I28-N30 PolarHBondContact O-N 3.09Å; N30-Y32 PolarHBondContact O-N 3.4Å |
| 31 | G | 75 | Confident | 79.5 | Confident | 66 Ų | 66 | 61.7 Ų | 61.7 | 68% | 0.68 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.1 | 10.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 116 | I28 N29 N33 | I28-G31 PolarHBondContact O-N 2.84Å; I28-G31 VanDerWaalsContact O-N 3.14Å; N29-G31 PolarHBondContact O-N 2.8Å; N29-G31 VanDerWaalsContact O-N 3.08Å; G31-N33 PolarHBondContact O-N 3.48Å |
| 32 | Y | 75.2 | Confident | 79.7 | Confident | 98 Ų | 98 | 61.5 Ų | 61.5 | 38% | 0.384 | 34% | 0.34 | S | S | . | . | trans | -67.5 | 129.4 | 171.8 | -90.6 | -98.3 | 0 | 0 | 0 | 111.1 | R11 F27 N30 I34 | R11-Y32 PolarHBondContact NH1-OH 2.93Å; F27-Y32 AromaticContact CD1-CD1 4Å; F27-Y32 HydrophobicContact CD1-CD1 4Å; F27-Y32 AromaticContact CD1-CD2 3.71Å; F27-Y32 HydrophobicContact CD1-CD2 3.71Å; F27-Y32 HydrophobicContact CD1-CE1 4.48Å; F27-Y32 HydrophobicContact CD1-CE2 4.25Å; F27-Y32 AromaticContact CD1-CG 3.56Å; F27-Y32 HydrophobicContact CD1-CG 3.56Å; F27-Y32 HydrophobicContact CD2-CD2 4.38Å; F27-Y32 HydrophobicContact CD2-CE2 4.37Å; F27-Y32 AromaticContact CE1-CD1 3.26Å; F27-Y32 HydrophobicContact CE1-CD1 3.26Å; F27-Y32 AromaticContact CE1-CD2 3.5Å; F27-Y32 HydrophobicContact CE1-CD2 3.5Å; F27-Y32 AromaticContact CE1-CE1 3.42Å; F27-Y32 HydrophobicContact CE1-CE1 3.42Å; F27-Y32 VanDerWaalsContact CE1-CE1 3.42Å; F27-Y32 AromaticContact CE1-CE2 3.67Å; F27-Y32 HydrophobicContact CE1-CE2 3.67Å; F27-Y32 AromaticContact CE1-CG 3.28Å; F27-Y32 HydrophobicContact CE1-CG 3.28Å; F27-Y32 AromaticContact CE1-CZ 3.61Å; F27-Y32 HydrophobicContact CE2-CD2 4.17Å; F27-Y32 AromaticContact CE2-CE2 3.78Å; F27-Y32 HydrophobicContact CE2-CE2 3.78Å; F27-Y32 HydrophobicContact CG-CD2 4.16Å; F27-Y32 HydrophobicContact CG-CG 4.43Å; F27-Y32 AromaticContact CZ-CD1 3.84Å; F27-Y32 HydrophobicContact CZ-CD1 3.84Å; F27-Y32 AromaticContact CZ-CD2 3.73Å; F27-Y32 HydrophobicContact CZ-CD2 3.73Å; F27-Y32 AromaticContact CZ-CE1 3.49Å; F27-Y32 HydrophobicContact CZ-CE1 3.49Å; F27-Y32 VanDerWaalsContact CZ-CE1 3.49Å; F27-Y32 AromaticContact CZ-CE2 3.38Å; F27-Y32 HydrophobicContact CZ-CE2 3.38Å; F27-Y32 AromaticContact CZ-CG 3.93Å; F27-Y32 HydrophobicContact CZ-CG 3.93Å; F27-Y32 AromaticContact CZ-CZ 3.23Å; F27-Y32 WeakPolarHBondContact O-CB 3.32Å; N30-Y32 PolarHBondContact O-N 3.4Å; Y32-I34 PolarHBondContact O-N 2.9Å; Y32-I34 VanDerWaalsContact O-N 3.11Å | ||
| 33 | N | 81 | Confident | 79.9 | Confident | 100 Ų | 100 | 55.3 Ų | 55.3 | 54% | 0.535 | 31% | 0.307 | S | S | . | . | trans | -63.3 | 113.2 | 174 | 174.1 | 7.3 | 0 | 0 | 0 | 110.2 | L12 G31 N35 T36 | L12-N33 WeakPolarHBondContact CD1-O 3.46Å; G31-N33 PolarHBondContact O-N 3.48Å; N33-N35 PolarHBondContact O-N 2.99Å; N33-N35 WeakPolarHBondContact OD1-CB 3.49Å; N33-N35 PolarHBondContact OD1-N 3.36Å; N33-T36 HydrophobicContact CB-CG2 4.06Å; N33-T36 WeakPolarHBondContact O-CB 3.48Å; N33-T36 VanDerWaalsContact O-CG2 3.29Å; N33-T36 WeakPolarHBondContact O-CG2 3.42Å; N33-T36 PolarHBondContact O-N 3.41Å; N33-T36 PolarHBondContact O-OG1 2.99Å | ||
| 34 | I | 84.1 | Confident | 80.2 | Confident | 22 Ų | 22 | 54 Ų | 54 | 11% | 0.113 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -32.6 | -178.1 | -57 | 161 | 0 | 0 | 0 | 111.7 | I28 Y32 T36 L60 R63 A65 | I28-I34 HydrophobicContact CB-CG1 4.46Å; I28-I34 HydrophobicContact CD1-CG1 4.19Å; I28-I34 HydrophobicContact CG1-CG1 4.01Å; I28-I34 HydrophobicContact CG2-CD1 3.71Å; I28-I34 HydrophobicContact CG2-CG1 3.71Å; Y32-I34 PolarHBondContact O-N 2.9Å; Y32-I34 VanDerWaalsContact O-N 3.11Å; I34-T36 PolarHBondContact O-N 3.36Å; I34-L60 HydrophobicContact CG2-CD2 3.74Å; I34-R63 HydrophobicContact CD1-CB 3.67Å; I34-R63 WeakPolarHBondContact CD1-O 3.01Å; I34-A65 HydrophobicContact CG2-CB 3.66Å |
| 35 | N | 85.4 | Confident | 80.7 | Confident | 47 Ų | 47 | 54 Ų | 54 | 25% | 0.251 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 16.7 | 179 | -65.7 | -27.3 | 0 | 0 | 0 | 112.6 | N33 A65 D66 L69 | N33-N35 PolarHBondContact O-N 2.99Å; N33-N35 WeakPolarHBondContact OD1-CB 3.49Å; N33-N35 PolarHBondContact OD1-N 3.36Å; N35-A65 WeakPolarHBondContact OD1-CA 3.44Å; N35-D66 PolarHBondContact OD1-N 3.14Å; N35-L69 HydrophobicContact CB-CD1 3.62Å |
| 36 | T | 83.2 | Confident | 81.1 | Confident | 50 Ų | 50 | 52.7 Ų | 52.7 | 31% | 0.307 | 29% | 0.288 | S | S | . | . | trans | -63.8 | 141.9 | 167.3 | 42.6 | 0 | 0 | 0 | 0 | 110.9 | L12 Q13 N33 I34 | L12-T36 WeakPolarHBondContact CD1-OG1 3.38Å; Q13-T36 PolarHBondContact NE2-O 3.13Å; N33-T36 HydrophobicContact CB-CG2 4.06Å; N33-T36 WeakPolarHBondContact O-CB 3.48Å; N33-T36 VanDerWaalsContact O-CG2 3.29Å; N33-T36 WeakPolarHBondContact O-CG2 3.42Å; N33-T36 PolarHBondContact O-N 3.41Å; N33-T36 PolarHBondContact O-OG1 2.99Å; I34-T36 PolarHBondContact O-N 3.36Å | ||
| 37 | V | 82.8 | Confident | 81.3 | Confident | 65 Ų | 65 | 50.3 Ų | 50.3 | 39% | 0.394 | 27% | 0.271 | S | S | . | . | B | Isolated β-bridge | trans | -108.3 | 158.5 | 178.3 | -65.3 | 0 | 0 | 0 | 0 | 111.9 | D41 E42 T43 | V37-D41 WeakPolarHBondContact CG1-O 3.36Å; V37-E42 WeakPolarHBondContact CA-O 3.19Å; V37-T43 HydrophobicContact CG1-CG2 3.78Å |
| 38 | N | 77.1 | Confident | 81.8 | Confident | 22 Ų | 22 | 48.5 Ų | 48.5 | 12% | 0.118 | 26% | 0.263 | C | S | . | . | trans | -85.6 | -173.3 | 165.1 | 71.4 | 7 | 0 | 0 | 0 | 111.1 | Q13 F40 D41 E42 | Q13-N38 HydrophobicContact CG-CB 4.28Å; N38-F40 PolarHBondContact O-N 3.23Å; N38-F40 WeakPolarHBondContact OD1-CA 3.22Å; N38-F40 WeakPolarHBondContact OD1-CB 3.25Å; N38-F40 PolarHBondContact OD1-N 2.92Å; N38-D41 PolarHBondContact O-N 3.22Å; N38-D41 VanDerWaalsContact O-N 3.14Å; N38-E42 PolarHBondContact N-O 2.94Å; N38-E42 VanDerWaalsContact N-O 3.15Å; N38-E42 PolarHBondContact ND2-OE2 2.88Å; N38-E42 WeakPolarHBondContact OD1-CB 3.46Å; N38-E42 PolarHBondContact OD1-N 3.25Å; N38-E42 VanDerWaalsContact OD1-N 3.1Å | ||
| 39 | Q | 74.1 | Confident | 82.2 | Confident | 124 Ų | 124 | 47.9 Ų | 47.9 | 58% | 0.579 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 1.2 | 176.4 | 60.6 | 176.7 | 1.1 | 0 | 0 | 116.4 | ||
| 40 | F | 70.5 | Confident | 82.3 | Confident | 54 Ų | 54 | 45.2 Ų | 45.2 | 24% | 0.237 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.2 | 13.4 | 178.8 | -50.7 | -45.5 | 0 | 0 | 0 | 112.9 | N38 E42 I72 N166 | N38-F40 PolarHBondContact O-N 3.23Å; N38-F40 WeakPolarHBondContact OD1-CA 3.22Å; N38-F40 WeakPolarHBondContact OD1-CB 3.25Å; N38-F40 PolarHBondContact OD1-N 2.92Å; F40-E42 HydrophobicContact CB-CG 3.95Å; F40-E42 PolarHBondContact O-N 3.5Å; F40-I72 PolarHBondContact O-N 3.23Å; F40-N166 HydrophobicContact CE1-CB 4.24Å; F40-N166 WeakPolarHBondContact CE1-ND2 3.43Å; F40-N166 HydrophobicContact CE2-CB 3.97Å; F40-N166 HydrophobicContact CZ-CB 3.57Å; F40-N166 WeakPolarHBondContact CZ-ND2 3.16Å |
| 41 | D | 79.4 | Confident | 82.6 | Confident | 73 Ų | 73 | 40.6 Ų | 40.6 | 39% | 0.39 | 22% | 0.217 | S | C | . | . | S | Bend | trans | 58.4 | 23.8 | -169.7 | -60.2 | -30.8 | 0 | 0 | 0 | 113.9 | V37 N38 I72 | V37-D41 WeakPolarHBondContact CG1-O 3.36Å; N38-D41 PolarHBondContact O-N 3.22Å; N38-D41 VanDerWaalsContact O-N 3.14Å; D41-I72 HydrophobicContact CB-CG1 3.98Å; D41-I72 WeakPolarHBondContact OD2-CG1 3.27Å |
| 42 | E | 82.7 | Confident | 83.1 | Confident | 41 Ų | 41 | 38.4 Ų | 38.4 | 19% | 0.192 | 19% | 0.194 | C | C | . | . | trans | -84.9 | 117.3 | 178.2 | -57.7 | 172.5 | 139.4 | 0 | 0 | 111.2 | Q13 V37 N38 F40 Y46 V47 T71 | Q13-E42 PolarHBondContact NE2-O 3.33Å; V37-E42 WeakPolarHBondContact CA-O 3.19Å; N38-E42 PolarHBondContact N-O 2.94Å; N38-E42 VanDerWaalsContact N-O 3.15Å; N38-E42 PolarHBondContact ND2-OE2 2.88Å; N38-E42 WeakPolarHBondContact OD1-CB 3.46Å; N38-E42 PolarHBondContact OD1-N 3.25Å; N38-E42 VanDerWaalsContact OD1-N 3.1Å; F40-E42 HydrophobicContact CB-CG 3.95Å; F40-E42 PolarHBondContact O-N 3.5Å; E42-Y46 HydrophobicContact CB-CD1 3.78Å; E42-Y46 HydrophobicContact CB-CE1 4.27Å; E42-Y46 HydrophobicContact CB-CG 4.43Å; E42-Y46 HydrophobicContact CG-CD1 3.71Å; E42-Y46 HydrophobicContact CG-CE1 3.66Å; E42-Y46 WeakPolarHBondContact OE1-CE1 3.18Å; E42-V47 HydrophobicContact CB-CG2 4.19Å; E42-T71 HydrophobicContact CB-CG2 4.31Å; E42-T71 HydrophobicContact CG-CG2 3.69Å | ||
| 43 | T | 86.1 | Confident | 83.6 | Confident | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.012 | 18% | 0.181 | C | C | . | . | B | Isolated β-bridge | trans | -73.1 | 161.4 | 171.7 | 62.3 | 0 | 0 | 0 | 0 | 111.7 | V37 L45 Y46 V47 L69 | V37-T43 HydrophobicContact CG1-CG2 3.78Å; T43-L45 PolarHBondContact O-N 3.43Å; T43-Y46 WeakPolarHBondContact O-CB 3.47Å; T43-Y46 PolarHBondContact O-N 3.16Å; T43-Y46 VanDerWaalsContact O-N 3.14Å; T43-Y46 WeakPolarHBondContact OG1-CB 3.37Å; T43-Y46 PolarHBondContact OG1-N 2.83Å; T43-V47 WeakPolarHBondContact O-CG2 3.47Å; T43-V47 PolarHBondContact O-N 3.45Å; T43-V47 VanDerWaalsContact O-N 3.1Å; T43-L69 HydrophobicContact CG2-CB 3.88Å; T43-L69 HydrophobicContact CG2-CD1 3.73Å; T43-L69 HydrophobicContact CG2-CG 4.46Å |
| 44 | A | 86.4 | Confident | 83.9 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -54.5 | -37.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L12 V16 V47 A48 L60 | L12-A44 HydrophobicContact CB-CB 4.28Å; V16-A44 HydrophobicContact CG2-CB 4.1Å; A44-V47 PolarHBondContact O-N 2.82Å; A44-A48 PolarHBondContact O-N 2.67Å; A44-L60 HydrophobicContact CB-CD1 4.09Å; A44-L60 HydrophobicContact CB-CD2 4.14Å |
| 45 | L | 91.2 | Very high | 84 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -69.1 | -38.4 | 177.5 | -179.6 | 63.7 | 0 | 0 | 0 | 112.6 | T43 V47 A48 S49 V57 L60 L61 A65 P67 P77 L93 | T43-L45 PolarHBondContact O-N 3.43Å; L45-V47 VanDerWaalsContact C-N 3.34Å; L45-A48 PolarHBondContact O-N 3.45Å; L45-S49 VanDerWaalsContact O-CB 3.22Å; L45-S49 WeakPolarHBondContact O-CB 3.47Å; L45-S49 PolarHBondContact O-N 2.93Å; L45-S49 PolarHBondContact O-OG 2.89Å; L45-V57 HydrophobicContact CD1-CB 4.47Å; L45-V57 HydrophobicContact CD1-CG1 4.1Å; L45-V57 HydrophobicContact CD1-CG2 4.39Å; L45-L60 HydrophobicContact CB-CD1 4.27Å; L45-L60 HydrophobicContact CD1-CB 4.17Å; L45-L60 HydrophobicContact CD1-CD1 4.46Å; L45-L61 HydrophobicContact CD1-CD2 4.12Å; L45-L61 HydrophobicContact CD1-CG 4.03Å; L45-L61 HydrophobicContact CD2-CD2 3.65Å; L45-L61 HydrophobicContact CD2-CG 4.45Å; L45-A65 HydrophobicContact CB-CB 4.14Å; L45-A65 HydrophobicContact CD2-CB 3.9Å; L45-A65 HydrophobicContact CG-CB 4.5Å; L45-P67 HydrophobicContact CD2-CB 4.13Å; L45-P77 HydrophobicContact CD2-CG 4.2Å; L45-P77 HydrophobicContact CG-CB 4.23Å; L45-P77 HydrophobicContact CG-CG 4.09Å; L45-L93 HydrophobicContact CD1-CD2 4.2Å; L45-L93 HydrophobicContact CD2-CD2 4.13Å; L45-L93 HydrophobicContact CG-CD2 4.3Å |
| 46 | Y | 89.8 | Confident | 84.1 | Confident | 18 Ų | 18 | 35.5 Ų | 35.5 | 7% | 0.071 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.1 | -45.9 | 172.6 | 177.8 | -85.1 | 0 | 0 | 0 | 111 | E42 T43 S49 Y50 T71 N75 S80 | E42-Y46 HydrophobicContact CB-CD1 3.78Å; E42-Y46 HydrophobicContact CB-CE1 4.27Å; E42-Y46 HydrophobicContact CB-CG 4.43Å; E42-Y46 HydrophobicContact CG-CD1 3.71Å; E42-Y46 HydrophobicContact CG-CE1 3.66Å; E42-Y46 WeakPolarHBondContact OE1-CE1 3.18Å; T43-Y46 WeakPolarHBondContact O-CB 3.47Å; T43-Y46 PolarHBondContact O-N 3.16Å; T43-Y46 VanDerWaalsContact O-N 3.14Å; T43-Y46 WeakPolarHBondContact OG1-CB 3.37Å; T43-Y46 PolarHBondContact OG1-N 2.83Å; Y46-S49 PolarHBondContact O-N 3.19Å; Y46-Y50 VanDerWaalsContact O-CB 3.25Å; Y46-Y50 WeakPolarHBondContact O-CB 3.45Å; Y46-Y50 PolarHBondContact O-N 3.44Å; Y46-T71 HydrophobicContact CD1-CG2 4.08Å; Y46-T71 HydrophobicContact CD2-CG2 3.61Å; Y46-T71 HydrophobicContact CE1-CG2 3.87Å; Y46-T71 HydrophobicContact CE2-CG2 3.35Å; Y46-T71 HydrophobicContact CG-CG2 3.95Å; Y46-T71 VanDerWaalsContact CZ-CG2 3.48Å; Y46-N75 HydrophobicContact CE2-CB 3.87Å; Y46-N75 WeakPolarHBondContact CE2-O 3.46Å; Y46-S80 WeakPolarHBondContact CD2-OG 3.16Å; Y46-S80 WeakPolarHBondContact CE2-OG 3.25Å |
| 47 | V | 85.7 | Confident | 84.5 | Confident | 8 Ų | 8 | 33.1 Ų | 33.1 | 5% | 0.048 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.8 | -47.7 | 178.5 | 178.6 | 0 | 0 | 0 | 0 | 111.1 | Q13 V16 L17 E42 T43 A44 L45 S49 Y50 Y51 | Q13-V47 HydrophobicContact CB-CG2 4.39Å; Q13-V47 HydrophobicContact CG-CG2 3.98Å; V16-V47 HydrophobicContact CB-CG1 4.37Å; V16-V47 HydrophobicContact CG1-CB 4.31Å; V16-V47 HydrophobicContact CG1-CG1 3.84Å; L17-V47 HydrophobicContact CD2-CG1 3.74Å; L17-V47 HydrophobicContact CG-CG1 4.31Å; E42-V47 HydrophobicContact CB-CG2 4.19Å; T43-V47 WeakPolarHBondContact O-CG2 3.47Å; T43-V47 PolarHBondContact O-N 3.45Å; T43-V47 VanDerWaalsContact O-N 3.1Å; A44-V47 PolarHBondContact O-N 2.82Å; L45-V47 VanDerWaalsContact C-N 3.34Å; V47-S49 PolarHBondContact O-N 3.08Å; V47-Y50 WeakPolarHBondContact O-CB 3.28Å; V47-Y50 PolarHBondContact O-N 3.31Å; V47-Y51 HydrophobicContact CG1-CD2 4.03Å; V47-Y51 HydrophobicContact CG1-CE2 3.79Å; V47-Y51 WeakPolarHBondContact O-CD2 3.22Å; V47-Y51 PolarHBondContact O-N 3.01Å |
| 48 | A | 87.6 | Confident | 84.8 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62 | -43.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V16 A44 L45 Y50 Y51 G52 D53 I56 V57 L60 | V16-A48 HydrophobicContact CG1-CB 3.89Å; A44-A48 PolarHBondContact O-N 2.67Å; L45-A48 PolarHBondContact O-N 3.45Å; A48-Y50 PolarHBondContact O-N 3.45Å; A48-Y51 PolarHBondContact O-N 3.05Å; A48-G52 PolarHBondContact O-N 2.87Å; A48-D53 PolarHBondContact O-N 2.9Å; A48-D53 VanDerWaalsContact O-N 3.16Å; A48-I56 HydrophobicContact CB-CB 4.18Å; A48-I56 HydrophobicContact CB-CG2 3.68Å; A48-V57 HydrophobicContact CB-CG2 3.81Å; A48-L60 HydrophobicContact CB-CD1 4.04Å |
| 49 | S | 89 | Confident | 85.4 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.9 | -25.6 | 179.2 | -55.7 | 0 | 0 | 0 | 0 | 113.2 | L45 Y46 V47 | L45-S49 VanDerWaalsContact O-CB 3.22Å; L45-S49 WeakPolarHBondContact O-CB 3.47Å; L45-S49 PolarHBondContact O-N 2.93Å; L45-S49 PolarHBondContact O-OG 2.89Å; Y46-S49 PolarHBondContact O-N 3.19Å; V47-S49 PolarHBondContact O-N 3.08Å |
| 50 | Y | 85.5 | Confident | 86.1 | Confident | 41 Ų | 41 | 27.4 Ų | 27.4 | 16% | 0.161 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -76.4 | -40.5 | 175.6 | -175.9 | -131.3 | 0 | 0 | 0 | 111.4 | Y46 V47 A48 F83 R84 H86 F172 | Y46-Y50 VanDerWaalsContact O-CB 3.25Å; Y46-Y50 WeakPolarHBondContact O-CB 3.45Å; Y46-Y50 PolarHBondContact O-N 3.44Å; V47-Y50 WeakPolarHBondContact O-CB 3.28Å; V47-Y50 PolarHBondContact O-N 3.31Å; A48-Y50 PolarHBondContact O-N 3.45Å; Y50-F83 HydrophobicContact CE2-CD1 4.47Å; Y50-R84 HydrophobicContact CD2-CG 4.05Å; Y50-R84 HydrophobicContact CE2-CG 4.46Å; Y50-R84 VanDerWaalsContact CE2-NH2 3.27Å; Y50-R84 PolarHBondContact OH-NH2 3.37Å; Y50-H86 PolarHBondContact O-NE2 3.27Å; Y50-F172 AromaticContact CD1-CE2 3.62Å; Y50-F172 HydrophobicContact CD1-CE2 3.62Å; Y50-F172 AromaticContact CD1-CZ 3.4Å; Y50-F172 HydrophobicContact CD1-CZ 3.4Å; Y50-F172 VanDerWaalsContact CD1-CZ 3.4Å; Y50-F172 HydrophobicContact CD2-CE1 4.28Å; Y50-F172 HydrophobicContact CD2-CE2 4.41Å; Y50-F172 AromaticContact CD2-CZ 3.81Å; Y50-F172 HydrophobicContact CD2-CZ 3.81Å; Y50-F172 HydrophobicContact CE1-CD2 4.15Å; Y50-F172 AromaticContact CE1-CE2 3.13Å; Y50-F172 HydrophobicContact CE1-CE2 3.13Å; Y50-F172 AromaticContact CE1-CZ 3.42Å; Y50-F172 HydrophobicContact CE1-CZ 3.42Å; Y50-F172 VanDerWaalsContact CE1-CZ 3.42Å; Y50-F172 HydrophobicContact CE2-CE1 4.3Å; Y50-F172 HydrophobicContact CE2-CE2 4.01Å; Y50-F172 AromaticContact CE2-CZ 3.81Å; Y50-F172 HydrophobicContact CE2-CZ 3.81Å; Y50-F172 HydrophobicContact CG-CE1 4.4Å; Y50-F172 HydrophobicContact CG-CE2 4.23Å; Y50-F172 AromaticContact CG-CZ 3.6Å; Y50-F172 HydrophobicContact CG-CZ 3.6Å; Y50-F172 AromaticContact CZ-CE2 3.34Å; Y50-F172 AromaticContact CZ-CZ 3.61Å; Y50-F172 WeakPolarHBondContact O-CE1 3.45Å; Y50-F172 WeakPolarHBondContact O-CZ 3.23Å |
| 51 | Y | 83.7 | Confident | 87.1 | Confident | 20 Ų | 20 | 25.1 Ų | 25.1 | 8% | 0.078 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -76.9 | -21.9 | 175.2 | -70.3 | -67 | 0 | 0 | 0 | 114.4 | L17 V47 A48 H86 H169 Q171 F172 | L17-Y51 HydrophobicContact CD2-CD2 4.19Å; L17-Y51 HydrophobicContact CD2-CE2 3.34Å; V47-Y51 HydrophobicContact CG1-CD2 4.03Å; V47-Y51 HydrophobicContact CG1-CE2 3.79Å; V47-Y51 WeakPolarHBondContact O-CD2 3.22Å; V47-Y51 PolarHBondContact O-N 3.01Å; A48-Y51 PolarHBondContact O-N 3.05Å; Y51-H86 VanDerWaalsContact C-NE2 3.35Å; Y51-H86 PolarHBondContact O-NE2 3.2Å; Y51-H169 AromaticContact CE1-ND1 3.93Å; Y51-H169 AromaticContact CZ-ND1 3.57Å; Y51-H169 WeakPolarHBondContact OH-CB 3.37Å; Y51-H169 VanDerWaalsContact OH-CG 3.26Å; Y51-H169 PolarHBondContact OH-ND1 2.88Å; Y51-H169 VanDerWaalsContact OH-ND1 3.08Å; Y51-Q171 HydrophobicContact CD1-CB 4.28Å; Y51-Q171 HydrophobicContact CE1-CB 4.14Å; Y51-F172 HydrophobicContact CD1-CE1 4.42Å; Y51-F172 HydrophobicContact CD1-CE2 4.18Å; Y51-F172 AromaticContact CD1-CZ 3.72Å; Y51-F172 HydrophobicContact CD1-CZ 3.72Å; Y51-F172 AromaticContact CE1-CE2 3.57Å; Y51-F172 HydrophobicContact CE1-CE2 3.57Å; Y51-F172 AromaticContact CE1-CZ 3.6Å; Y51-F172 HydrophobicContact CE1-CZ 3.6Å; Y51-F172 HydrophobicContact CG-CZ 4.43Å |
| 52 | G | 84 | Confident | 87.5 | Confident | 20 Ų | 20 | 26.7 Ų | 26.7 | 21% | 0.206 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90 | 21.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | A48 S54 H86 | A48-G52 PolarHBondContact O-N 2.87Å; G52-S54 VanDerWaalsContact C-N 3.29Å; G52-S54 PolarHBondContact O-N 2.86Å; G52-H86 WeakPolarHBondContact CA-CD2 3.25Å; G52-H86 VanDerWaalsContact CA-NE2 3.35Å; G52-H86 WeakPolarHBondContact CA-NE2 3.28Å; G52-H86 PolarHBondContact N-CD2 3.29Å; G52-H86 PolarHBondContact N-NE2 3.46Å |
| 53 | D | 85.8 | Confident | 87.7 | Confident | 19 Ų | 19 | 29.2 Ų | 29.2 | 10% | 0.102 | 15% | 0.149 | C | C | . | . | trans | -82.7 | 74.9 | -171.4 | -67.8 | -2.7 | 0 | 0 | 0 | 110 | R19 A48 E55 I56 V57 | R19-D53 IonicContact CZ-OD1 2.6Å; R19-D53 VanDerWaalsContact CZ-OD1 3.26Å; R19-D53 IonicContact CZ-OD2 2.78Å; R19-D53 VanDerWaalsContact NE-CG 3.33Å; R19-D53 IonicContact NE-OD1 2.72Å; R19-D53 PolarHBondContact NE-OD1 3.43Å; R19-D53 IonicContact NE-OD2 3.7Å; R19-D53 PolarHBondContact NE-OD2 2.88Å; R19-D53 IonicContact NH2-OD1 3.53Å; R19-D53 PolarHBondContact NH2-OD1 3.39Å; R19-D53 IonicContact NH2-OD2 3.78Å; A48-D53 PolarHBondContact O-N 2.9Å; A48-D53 VanDerWaalsContact O-N 3.16Å; D53-E55 VanDerWaalsContact C-N 3.26Å; D53-E55 PolarHBondContact O-N 3.39Å; D53-I56 HydrophobicContact CB-CB 4.04Å; D53-I56 HydrophobicContact CB-CD1 3.99Å; D53-I56 HydrophobicContact CB-CG1 4.16Å; D53-I56 WeakPolarHBondContact O-CA 3.38Å; D53-I56 WeakPolarHBondContact O-CB 3.29Å; D53-I56 PolarHBondContact O-N 3.37Å; D53-V57 WeakPolarHBondContact O-CG2 3.26Å; D53-V57 PolarHBondContact O-N 3.03Å | ||
| 54 | S | 87 | Confident | 87.8 | Confident | 49 Ų | 49 | 35.8 Ų | 35.8 | 34% | 0.343 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -51.6 | -38.5 | -174.3 | 53 | 0 | 0 | 0 | 0 | 114.1 | G52 V57 D58 Q92 | G52-S54 VanDerWaalsContact C-N 3.29Å; G52-S54 PolarHBondContact O-N 2.86Å; S54-V57 PolarHBondContact O-N 3.09Å; S54-D58 WeakPolarHBondContact O-CB 3.24Å; S54-D58 PolarHBondContact O-N 3.02Å; S54-Q92 PolarHBondContact O-NE2 3.46Å; S54-Q92 VanDerWaalsContact O-NE2 3.09Å |
| 55 | E | 87.2 | Confident | 87.9 | Confident | 133 Ų | 133 | 36 Ų | 36 | 62% | 0.621 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -62.7 | -40.3 | 174.7 | -62.8 | 177.2 | 179 | 0 | 0 | 112.3 | I21 D53 V59 | I21-E55 HydrophobicContact CD1-CB 4.1Å; I21-E55 WeakPolarHBondContact CD1-OE2 3.15Å; D53-E55 VanDerWaalsContact C-N 3.26Å; D53-E55 PolarHBondContact O-N 3.39Å; E55-V59 WeakPolarHBondContact O-CB 3.49Å; E55-V59 VanDerWaalsContact O-CG2 3.29Å; E55-V59 WeakPolarHBondContact O-CG2 3.48Å; E55-V59 PolarHBondContact O-N 3.25Å |
| 56 | I | 87.8 | Confident | 87.8 | Confident | 5 Ų | 5 | 38.7 Ų | 38.7 | 3% | 0.026 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -75.2 | -37.6 | 178.3 | -61.8 | 179 | 0 | 0 | 0 | 110.2 | V16 R19 I21 L24 A48 D53 V59 L60 | V16-I56 HydrophobicContact CG1-CD1 4.47Å; V16-I56 HydrophobicContact CG1-CG2 4.18Å; V16-I56 HydrophobicContact CG2-CG2 3.96Å; R19-I56 HydrophobicContact CB-CD1 4.24Å; R19-I56 HydrophobicContact CG-CD1 4.05Å; I21-I56 HydrophobicContact CD1-CG1 4.46Å; I21-I56 HydrophobicContact CG1-CG1 4.02Å; L24-I56 HydrophobicContact CD2-CG2 3.73Å; A48-I56 HydrophobicContact CB-CB 4.18Å; A48-I56 HydrophobicContact CB-CG2 3.68Å; D53-I56 HydrophobicContact CB-CB 4.04Å; D53-I56 HydrophobicContact CB-CD1 3.99Å; D53-I56 HydrophobicContact CB-CG1 4.16Å; D53-I56 WeakPolarHBondContact O-CA 3.38Å; D53-I56 WeakPolarHBondContact O-CB 3.29Å; D53-I56 PolarHBondContact O-N 3.37Å; I56-V59 PolarHBondContact O-N 3.35Å; I56-L60 HydrophobicContact CG2-CD1 3.81Å; I56-L60 HydrophobicContact CG2-CG 4.3Å; I56-L60 WeakPolarHBondContact O-CB 3.22Å; I56-L60 WeakPolarHBondContact O-CG 3.5Å; I56-L60 PolarHBondContact O-N 2.91Å |
| 57 | V | 90.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.1 | -48.2 | 173.1 | 170.3 | 0 | 0 | 0 | 0 | 110.3 | L45 A48 D53 S54 L60 L61 V89 Q92 | L45-V57 HydrophobicContact CD1-CB 4.47Å; L45-V57 HydrophobicContact CD1-CG1 4.1Å; L45-V57 HydrophobicContact CD1-CG2 4.39Å; A48-V57 HydrophobicContact CB-CG2 3.81Å; D53-V57 WeakPolarHBondContact O-CG2 3.26Å; D53-V57 PolarHBondContact O-N 3.03Å; S54-V57 PolarHBondContact O-N 3.09Å; V57-L60 PolarHBondContact O-N 3.46Å; V57-L61 HydrophobicContact CG1-CD1 3.57Å; V57-L61 HydrophobicContact CG1-CG 4.25Å; V57-L61 WeakPolarHBondContact O-CB 3.36Å; V57-L61 VanDerWaalsContact O-CG 3.26Å; V57-L61 WeakPolarHBondContact O-CG 3.45Å; V57-L61 PolarHBondContact O-N 3.29Å; V57-V89 HydrophobicContact CG1-CG1 4.36Å; V57-V89 HydrophobicContact CG2-CG1 4.09Å; V57-V89 HydrophobicContact CG2-CG2 4.18Å; V57-Q92 HydrophobicContact CG1-CB 4.09Å |
| 58 | D | 90.2 | Very high | 88.1 | Confident | 60 Ų | 60 | 39.4 Ų | 39.4 | 32% | 0.321 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -60.2 | -46.2 | 174.6 | -80.4 | -26.2 | 0 | 0 | 0 | 111.8 | S54 L60 L61 N62 Q92 | S54-D58 WeakPolarHBondContact O-CB 3.24Å; S54-D58 PolarHBondContact O-N 3.02Å; D58-L60 VanDerWaalsContact C-N 3.31Å; D58-L60 PolarHBondContact O-N 3.24Å; D58-L61 PolarHBondContact O-N 3.36Å; D58-N62 VanDerWaalsContact O-CB 3.23Å; D58-N62 WeakPolarHBondContact O-CB 3.19Å; D58-N62 PolarHBondContact O-N 3.15Å; D58-N62 PolarHBondContact O-ND2 2.98Å; D58-Q92 PolarHBondContact OD1-NE2 3.48Å; D58-Q92 PolarHBondContact OD2-NE2 3.24Å |
| 59 | V | 88.7 | Confident | 88.2 | Confident | 32 Ų | 32 | 42 Ų | 42 | 19% | 0.194 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61 | -39.2 | 178.1 | 165 | 0 | 0 | 0 | 0 | 111.9 | I21 L24 I25 E55 I56 R63 | I21-V59 HydrophobicContact CG2-CG2 4.18Å; L24-V59 HydrophobicContact CD2-CG1 4.41Å; I25-V59 HydrophobicContact CD1-CG1 4.1Å; I25-V59 HydrophobicContact CD1-CG2 4.31Å; I25-V59 HydrophobicContact CG1-CG1 3.64Å; E55-V59 WeakPolarHBondContact O-CB 3.49Å; E55-V59 VanDerWaalsContact O-CG2 3.29Å; E55-V59 WeakPolarHBondContact O-CG2 3.48Å; E55-V59 PolarHBondContact O-N 3.25Å; I56-V59 PolarHBondContact O-N 3.35Å; V59-R63 VanDerWaalsContact O-CG 3.24Å; V59-R63 WeakPolarHBondContact O-CG 3.41Å; V59-R63 PolarHBondContact O-N 3.41Å |
| 60 | L | 89.9 | Confident | 88 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -72.4 | -45.8 | 178.4 | -71 | 169.6 | 0 | 0 | 0 | 111.8 | V16 L24 I28 I34 A44 L45 A48 I56 V57 D58 R63 N64 A65 | V16-L60 HydrophobicContact CG2-CD1 4.44Å; L24-L60 HydrophobicContact CD2-CD2 4.36Å; L24-L60 HydrophobicContact CD2-CG 4.44Å; I28-L60 HydrophobicContact CD1-CD2 3.89Å; I34-L60 HydrophobicContact CG2-CD2 3.74Å; A44-L60 HydrophobicContact CB-CD1 4.09Å; A44-L60 HydrophobicContact CB-CD2 4.14Å; L45-L60 HydrophobicContact CB-CD1 4.27Å; L45-L60 HydrophobicContact CD1-CB 4.17Å; L45-L60 HydrophobicContact CD1-CD1 4.46Å; A48-L60 HydrophobicContact CB-CD1 4.04Å; I56-L60 HydrophobicContact CG2-CD1 3.81Å; I56-L60 HydrophobicContact CG2-CG 4.3Å; I56-L60 WeakPolarHBondContact O-CB 3.22Å; I56-L60 WeakPolarHBondContact O-CG 3.5Å; I56-L60 PolarHBondContact O-N 2.91Å; V57-L60 PolarHBondContact O-N 3.46Å; D58-L60 VanDerWaalsContact C-N 3.31Å; D58-L60 PolarHBondContact O-N 3.24Å; L60-R63 CarbonylContact O-C 3.53Å; L60-R63 PolarHBondContact O-N 2.83Å; L60-R63 VanDerWaalsContact O-N 3.13Å; L60-N64 PolarHBondContact O-N 3.02Å; L60-A65 HydrophobicContact CB-CB 3.89Å; L60-A65 WeakPolarHBondContact O-CB 3.36Å; L60-A65 PolarHBondContact O-N 2.87Å |
| 61 | L | 91 | Very high | 88 | Confident | 5 Ų | 5 | 43.7 Ų | 43.7 | 3% | 0.026 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.9 | -42.7 | 179.7 | -70.2 | 173.6 | 0 | 0 | 0 | 112.1 | L45 V57 D58 R63 N64 P67 Q92 L93 H96 | L45-L61 HydrophobicContact CD1-CD2 4.12Å; L45-L61 HydrophobicContact CD1-CG 4.03Å; L45-L61 HydrophobicContact CD2-CD2 3.65Å; L45-L61 HydrophobicContact CD2-CG 4.45Å; V57-L61 HydrophobicContact CG1-CD1 3.57Å; V57-L61 HydrophobicContact CG1-CG 4.25Å; V57-L61 WeakPolarHBondContact O-CB 3.36Å; V57-L61 VanDerWaalsContact O-CG 3.26Å; V57-L61 WeakPolarHBondContact O-CG 3.45Å; V57-L61 PolarHBondContact O-N 3.29Å; D58-L61 PolarHBondContact O-N 3.36Å; L61-R63 PolarHBondContact O-N 3.13Å; L61-R63 VanDerWaalsContact O-N 3.13Å; L61-N64 PolarHBondContact O-N 3.43Å; L61-P67 HydrophobicContact CD2-CB 4.21Å; L61-Q92 HydrophobicContact CD1-CB 4.16Å; L61-L93 HydrophobicContact CD1-CD2 4.29Å; L61-L93 HydrophobicContact CD2-CD2 4.32Å; L61-H96 HydrophobicContact CB-CB 4.38Å; L61-H96 HydrophobicContact CD1-CB 4.04Å; L61-H96 HydrophobicContact CD2-CB 3.88Å; L61-H96 HydrophobicContact CG-CB 4.33Å |
| 62 | N | 88.8 | Confident | 87.9 | Confident | 107 Ų | 107 | 47.9 Ų | 47.9 | 57% | 0.572 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -7.6 | 174.2 | -73.1 | -65.3 | 0 | 0 | 0 | 113.7 | D58 | D58-N62 VanDerWaalsContact O-CB 3.23Å; D58-N62 WeakPolarHBondContact O-CB 3.19Å; D58-N62 PolarHBondContact O-N 3.15Å; D58-N62 PolarHBondContact O-ND2 2.98Å |
| 63 | R | 86.6 | Confident | 87.5 | Confident | 93 Ų | 93 | 49.4 Ų | 49.4 | 35% | 0.351 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | 13.9 | 170.4 | -64.2 | -56.4 | -163 | 90.3 | -0.5 | 113.4 | I28 N29 I34 V59 L60 L61 | I28-R63 HydrophobicContact CG2-CB 4.38Å; I28-R63 HydrophobicContact CG2-CG 4.42Å; N29-R63 VanDerWaalsContact OD1-CZ 3.28Å; N29-R63 PolarHBondContact OD1-NH1 2.79Å; N29-R63 PolarHBondContact OD1-NH2 3.33Å; I34-R63 HydrophobicContact CD1-CB 3.67Å; I34-R63 WeakPolarHBondContact CD1-O 3.01Å; V59-R63 VanDerWaalsContact O-CG 3.24Å; V59-R63 WeakPolarHBondContact O-CG 3.41Å; V59-R63 PolarHBondContact O-N 3.41Å; L60-R63 CarbonylContact O-C 3.53Å; L60-R63 PolarHBondContact O-N 2.83Å; L60-R63 VanDerWaalsContact O-N 3.13Å; L61-R63 PolarHBondContact O-N 3.13Å; L61-R63 VanDerWaalsContact O-N 3.13Å |
| 64 | N | 86.8 | Confident | 87.5 | Confident | 141 Ų | 141 | 49.5 Ų | 49.5 | 75% | 0.754 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.7 | 37 | -179.9 | -47.1 | -56.9 | 0 | 0 | 0 | 114.6 | L60 L61 | L60-N64 PolarHBondContact O-N 3.02Å; L61-N64 PolarHBondContact O-N 3.43Å |
| 65 | A | 88.5 | Confident | 87.4 | Confident | 5 Ų | 5 | 48.1 Ų | 48.1 | 4% | 0.041 | 25% | 0.254 | C | S | . | . | trans | -60.4 | 136.5 | 159.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | I34 N35 L45 L60 P67 | I34-A65 HydrophobicContact CG2-CB 3.66Å; N35-A65 WeakPolarHBondContact OD1-CA 3.44Å; L45-A65 HydrophobicContact CB-CB 4.14Å; L45-A65 HydrophobicContact CD2-CB 3.9Å; L45-A65 HydrophobicContact CG-CB 4.5Å; L60-A65 HydrophobicContact CB-CB 3.89Å; L60-A65 WeakPolarHBondContact O-CB 3.36Å; L60-A65 PolarHBondContact O-N 2.87Å; A65-P67 WeakPolarHBondContact O-CD 3.47Å | ||
| 66 | D | 89.3 | Confident | 87.5 | Confident | 57 Ų | 57 | 41.9 Ų | 41.9 | 31% | 0.305 | 23% | 0.225 | S | C | . | . | trans | -83.4 | 115.3 | -178.9 | -179.6 | -6.7 | 0 | 0 | 0 | 110.6 | N35 N68 L69 | N35-D66 PolarHBondContact OD1-N 3.14Å; D66-N68 PolarHBondContact O-N 3.19Å; D66-N68 WeakPolarHBondContact OD1-CB 3.33Å; D66-N68 PolarHBondContact OD1-N 3.21Å; D66-L69 HydrophobicContact CB-CD1 3.82Å; D66-L69 HydrophobicContact CB-CG 3.87Å | ||
| 67 | P | 91.3 | Very high | 87.7 | Confident | 10 Ų | 10 | 41.6 Ų | 41.6 | 7% | 0.065 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -5.1 | -178.2 | 33.1 | -36.6 | 0 | 0 | 0 | 114.2 | L45 L61 A65 P77 L93 A98 | L45-P67 HydrophobicContact CD2-CB 4.13Å; L61-P67 HydrophobicContact CD2-CB 4.21Å; A65-P67 WeakPolarHBondContact O-CD 3.47Å; P67-P77 WeakPolarHBondContact O-CD 3.3Å; P67-L93 HydrophobicContact CB-CD2 3.86Å; P67-A98 HydrophobicContact CB-CB 4.03Å; P67-A98 HydrophobicContact CG-CB 4.45Å |
| 68 | N | 91.1 | Very high | 87.7 | Confident | 31 Ų | 31 | 41.7 Ų | 41.7 | 17% | 0.166 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | -6.5 | -173.9 | -65.1 | -60.7 | 0 | 0 | 0 | 114.2 | D66 P70 T76 G97 A98 D99 Y102 | D66-N68 PolarHBondContact O-N 3.19Å; D66-N68 WeakPolarHBondContact OD1-CB 3.33Å; D66-N68 PolarHBondContact OD1-N 3.21Å; N68-P70 WeakPolarHBondContact O-CD 3.39Å; N68-T76 WeakPolarHBondContact O-CG2 3.35Å; N68-G97 PolarHBondContact ND2-O 3.06Å; N68-G97 VanDerWaalsContact ND2-O 3.08Å; N68-A98 WeakPolarHBondContact OD1-CA 3.46Å; N68-D99 PolarHBondContact OD1-N 3.39Å; N68-Y102 HydrophobicContact CB-CE2 3.71Å; N68-Y102 WeakPolarHBondContact OD1-CE2 3.48Å |
| 69 | L | 89 | Confident | 87.7 | Confident | 54 Ų | 54 | 39 Ų | 39 | 28% | 0.283 | 21% | 0.209 | S | C | . | . | trans | -64.7 | 121.2 | 179.8 | -70.6 | 172.7 | 0 | 0 | 0 | 111.7 | N35 T43 D66 P77 | N35-L69 HydrophobicContact CB-CD1 3.62Å; T43-L69 HydrophobicContact CG2-CB 3.88Å; T43-L69 HydrophobicContact CG2-CD1 3.73Å; T43-L69 HydrophobicContact CG2-CG 4.46Å; D66-L69 HydrophobicContact CB-CD1 3.82Å; D66-L69 HydrophobicContact CB-CG 3.87Å; L69-P77 VanDerWaalsContact O-CD 3.3Å; L69-P77 WeakPolarHBondContact O-CD 3.37Å | ||
| 70 | P | 86.4 | Confident | 87.6 | Confident | 65 Ų | 65 | 37.6 Ų | 37.6 | 42% | 0.422 | 20% | 0.201 | S | C | . | . | trans | -92.2 | 150.4 | -179.6 | 35.9 | -33.3 | 0 | 0 | 0 | 112.6 | N68 N75 T76 | N68-P70 WeakPolarHBondContact O-CD 3.39Å; P70-N75 WeakPolarHBondContact CA-O 3.49Å; P70-T76 HydrophobicContact CB-CG2 4.27Å | ||
| 71 | T | 84.8 | Confident | 87.4 | Confident | 12 Ų | 12 | 37.6 Ų | 37.6 | 7% | 0.074 | 20% | 0.201 | C | C | . | . | trans | -75.4 | 178.2 | 169.1 | 57.3 | 0 | 0 | 0 | 0 | 113 | E42 Y46 E73 G74 N75 | E42-T71 HydrophobicContact CB-CG2 4.31Å; E42-T71 HydrophobicContact CG-CG2 3.69Å; Y46-T71 HydrophobicContact CD1-CG2 4.08Å; Y46-T71 HydrophobicContact CD2-CG2 3.61Å; Y46-T71 HydrophobicContact CE1-CG2 3.87Å; Y46-T71 HydrophobicContact CE2-CG2 3.35Å; Y46-T71 HydrophobicContact CG-CG2 3.95Å; Y46-T71 VanDerWaalsContact CZ-CG2 3.48Å; T71-E73 PolarHBondContact O-N 3.22Å; T71-E73 VanDerWaalsContact O-N 3.13Å; T71-G74 WeakPolarHBondContact O-CA 3.26Å; T71-G74 PolarHBondContact O-N 3.46Å; T71-N75 PolarHBondContact N-O 3.27Å; T71-N75 PolarHBondContact OG1-N 2.88Å; T71-N75 PolarHBondContact OG1-O 2.93Å | ||
| 72 | I | 80.7 | Confident | 87.2 | Confident | 108 Ų | 108 | 37.3 Ų | 37.3 | 55% | 0.554 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -34.3 | 171.8 | -65.5 | 176.1 | 0 | 0 | 0 | 112 | F40 D41 G74 | F40-I72 PolarHBondContact O-N 3.23Å; D41-I72 HydrophobicContact CB-CG1 3.98Å; D41-I72 WeakPolarHBondContact OD2-CG1 3.27Å; I72-G74 VanDerWaalsContact C-N 3.28Å; I72-G74 PolarHBondContact O-N 2.89Å |
| 73 | E | 76.5 | Confident | 86.9 | Confident | 52 Ų | 52 | 34.3 Ų | 34.3 | 24% | 0.243 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | 2.8 | 177.6 | -64.3 | -163.7 | 160.6 | 0 | 0 | 113.6 | T71 N75 S105 | T71-E73 PolarHBondContact O-N 3.22Å; T71-E73 VanDerWaalsContact O-N 3.13Å; E73-N75 VanDerWaalsContact C-N 3.3Å; E73-N75 PolarHBondContact O-N 3.1Å; E73-S105 WeakPolarHBondContact O-CB 3.39Å; E73-S105 PolarHBondContact O-N 3.17Å; E73-S105 PolarHBondContact O-OG 2.84Å |
| 74 | G | 84.5 | Confident | 86.6 | Confident | 20 Ų | 20 | 32.4 Ų | 32.4 | 21% | 0.206 | 17% | 0.174 | C | C | . | . | trans | 78.2 | 7.5 | -179 | 0 | 0 | 0 | 0 | 0 | 114.7 | T71 I72 N104 | T71-G74 WeakPolarHBondContact O-CA 3.26Å; T71-G74 PolarHBondContact O-N 3.46Å; I72-G74 VanDerWaalsContact C-N 3.28Å; I72-G74 PolarHBondContact O-N 2.89Å; G74-N104 WeakPolarHBondContact O-CA 3.32Å | ||
| 75 | N | 86.5 | Confident | 86.3 | Confident | 21 Ų | 21 | 27.1 Ų | 27.1 | 11% | 0.112 | 15% | 0.154 | C | C | . | . | trans | -81 | 123.5 | -179.4 | -63.1 | -51.9 | 0 | 0 | 0 | 109.7 | Y46 P70 T71 E73 H79 N104 | Y46-N75 HydrophobicContact CE2-CB 3.87Å; Y46-N75 WeakPolarHBondContact CE2-O 3.46Å; P70-N75 WeakPolarHBondContact CA-O 3.49Å; T71-N75 PolarHBondContact N-O 3.27Å; T71-N75 PolarHBondContact OG1-N 2.88Å; T71-N75 PolarHBondContact OG1-O 2.93Å; E73-N75 VanDerWaalsContact C-N 3.3Å; E73-N75 PolarHBondContact O-N 3.1Å; N75-H79 HydrophobicContact CB-CB 4.01Å; N75-N104 WeakPolarHBondContact OD1-CB 3.49Å; N75-N104 PolarHBondContact OD1-ND2 3.37Å | ||
| 76 | T | 89.8 | Confident | 86.2 | Confident | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.006 | 16% | 0.159 | C | C | . | . | trans | -84 | 165.2 | 169.6 | 65.6 | 0 | 0 | 0 | 0 | 111 | N68 P70 L78 H79 S80 Y102 | N68-T76 WeakPolarHBondContact O-CG2 3.35Å; P70-T76 HydrophobicContact CB-CG2 4.27Å; T76-L78 PolarHBondContact O-N 2.82Å; T76-L78 VanDerWaalsContact O-N 3.1Å; T76-H79 PolarHBondContact N-ND1 3.39Å; T76-H79 WeakPolarHBondContact O-CA 3.35Å; T76-H79 WeakPolarHBondContact O-CB 3.32Å; T76-H79 PolarHBondContact O-N 3.47Å; T76-H79 PolarHBondContact OG1-ND1 3.22Å; T76-S80 PolarHBondContact O-N 3.24Å; T76-Y102 HydrophobicContact CG2-CD2 4.1Å; T76-Y102 HydrophobicContact CG2-CG 4.06Å | ||
| 77 | P | 90.6 | Very high | 85.9 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -44 | -39.4 | 169.4 | -33.3 | 34.5 | 0 | 0 | 0 | 114.8 | L45 P67 L69 S80 A81 L93 | L45-P77 HydrophobicContact CD2-CG 4.2Å; L45-P77 HydrophobicContact CG-CB 4.23Å; L45-P77 HydrophobicContact CG-CG 4.09Å; P67-P77 WeakPolarHBondContact O-CD 3.3Å; L69-P77 VanDerWaalsContact O-CD 3.3Å; L69-P77 WeakPolarHBondContact O-CD 3.37Å; P77-S80 WeakPolarHBondContact O-CB 3.38Å; P77-S80 PolarHBondContact O-N 2.63Å; P77-A81 PolarHBondContact O-N 2.94Å; P77-L93 HydrophobicContact CB-CD1 3.99Å; P77-L93 HydrophobicContact CB-CD2 3.85Å |
| 78 | L | 91.6 | Very high | 85.6 | Confident | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.8 | -33.4 | 177.3 | -173.4 | 66.5 | 0 | 0 | 0 | 112.9 | T76 A82 M90 L93 L94 A98 E100 A110 L125 | T76-L78 PolarHBondContact O-N 2.82Å; T76-L78 VanDerWaalsContact O-N 3.1Å; L78-A82 VanDerWaalsContact O-CB 3.22Å; L78-A82 WeakPolarHBondContact O-CB 3.41Å; L78-A82 PolarHBondContact O-N 2.9Å; L78-M90 HydrophobicContact CD1-CB 4.21Å; L78-M90 HydrophobicContact CD1-CG 4.3Å; L78-L93 HydrophobicContact CB-CD1 4.41Å; L78-L93 HydrophobicContact CD1-CB 4.27Å; L78-L93 HydrophobicContact CD1-CD1 4.45Å; L78-L94 HydrophobicContact CD1-CD2 4.19Å; L78-L94 HydrophobicContact CD1-CG 4.14Å; L78-L94 HydrophobicContact CD2-CD2 3.79Å; L78-A98 HydrophobicContact CB-CB 4.18Å; L78-A98 HydrophobicContact CD2-CB 4.1Å; L78-E100 HydrophobicContact CD2-CB 4.34Å; L78-A110 HydrophobicContact CD2-CB 4.07Å; L78-A110 HydrophobicContact CG-CB 3.86Å; L78-L125 HydrophobicContact CD1-CD2 4.43Å |
| 79 | H | 88.7 | Confident | 85.5 | Confident | 3 Ų | 3 | 30.4 Ų | 30.4 | 1% | 0.014 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.8 | -42 | 171.2 | -70.4 | 72.8 | 0 | 0 | 0 | 110.7 | N75 T76 A82 F83 Y102 M108 L113 | N75-H79 HydrophobicContact CB-CB 4.01Å; T76-H79 PolarHBondContact N-ND1 3.39Å; T76-H79 WeakPolarHBondContact O-CA 3.35Å; T76-H79 WeakPolarHBondContact O-CB 3.32Å; T76-H79 PolarHBondContact O-N 3.47Å; T76-H79 PolarHBondContact OG1-ND1 3.22Å; H79-A82 PolarHBondContact O-N 3.27Å; H79-F83 WeakPolarHBondContact O-CB 3.29Å; H79-F83 PolarHBondContact O-N 2.79Å; H79-Y102 PolarHBondContact CE1-O 2.97Å; H79-Y102 PolarHBondContact NE2-O 3.42Å; H79-M108 PolarHBondContact NE2-O 2.87Å; H79-L113 HydrophobicContact CB-CD1 3.82Å |
| 80 | S | 86.7 | Confident | 85.5 | Confident | 3 Ų | 3 | 27.9 Ų | 27.9 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64 | -43.9 | 177.4 | -71.3 | 0 | 0 | 0 | 0 | 112.9 | Y46 T76 P77 F83 R84 | Y46-S80 WeakPolarHBondContact CD2-OG 3.16Å; Y46-S80 WeakPolarHBondContact CE2-OG 3.25Å; T76-S80 PolarHBondContact O-N 3.24Å; P77-S80 WeakPolarHBondContact O-CB 3.38Å; P77-S80 PolarHBondContact O-N 2.63Å; S80-F83 PolarHBondContact O-N 2.63Å; S80-R84 WeakPolarHBondContact O-CB 3.12Å; S80-R84 VanDerWaalsContact O-CG 3.26Å; S80-R84 WeakPolarHBondContact O-CG 3.47Å; S80-R84 PolarHBondContact O-N 3.28Å |
| 81 | A | 86.2 | Confident | 85.6 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.7 | -42.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | P77 R84 G85 H86 V89 M90 L93 | P77-A81 PolarHBondContact O-N 2.94Å; A81-R84 CarbonylContact O-C 3.41Å; A81-R84 PolarHBondContact O-N 3.22Å; A81-G85 PolarHBondContact O-N 2.71Å; A81-H86 HydrophobicContact CB-CB 4.42Å; A81-H86 PolarHBondContact O-N 3.29Å; A81-V89 HydrophobicContact CB-CB 4.26Å; A81-V89 HydrophobicContact CB-CG1 3.65Å; A81-M90 HydrophobicContact CB-CG 3.54Å; A81-L93 HydrophobicContact CB-CD1 4.03Å |
| 82 | A | 86.2 | Confident | 85.8 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.4 | -46.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L78 H79 R84 G85 M90 A110 L113 L114 | L78-A82 VanDerWaalsContact O-CB 3.22Å; L78-A82 WeakPolarHBondContact O-CB 3.41Å; L78-A82 PolarHBondContact O-N 2.9Å; H79-A82 PolarHBondContact O-N 3.27Å; A82-R84 PolarHBondContact O-N 3.13Å; A82-R84 VanDerWaalsContact O-N 3.09Å; A82-G85 PolarHBondContact O-N 3.22Å; A82-M90 HydrophobicContact CB-SD 4.48Å; A82-A110 HydrophobicContact CB-CB 4.05Å; A82-A110 WeakPolarHBondContact CB-O 3.39Å; A82-L113 HydrophobicContact CB-CB 4.25Å; A82-L114 HydrophobicContact CB-CD1 4.48Å; A82-L114 HydrophobicContact CB-CD2 4.24Å; A82-L114 HydrophobicContact CB-CG 3.99Å |
| 83 | F | 82.3 | Confident | 86.3 | Confident | 43 Ų | 43 | 24.5 Ų | 24.5 | 19% | 0.189 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -10.8 | 176.1 | -175.6 | -85.6 | 0 | 0 | 0 | 113.8 | Y50 H79 S80 L113 H117 F176 | Y50-F83 HydrophobicContact CE2-CD1 4.47Å; H79-F83 WeakPolarHBondContact O-CB 3.29Å; H79-F83 PolarHBondContact O-N 2.79Å; S80-F83 PolarHBondContact O-N 2.63Å; F83-L113 HydrophobicContact CB-CD1 4.41Å; F83-L113 HydrophobicContact CD2-CD2 4.08Å; F83-H117 PolarHBondContact O-CE1 3.09Å; F83-H117 PolarHBondContact O-NE2 2.73Å; F83-F176 HydrophobicContact CD1-CE2 4.29Å; F83-F176 HydrophobicContact CD2-CE2 4.29Å; F83-F176 AromaticContact CD2-CZ 3.96Å; F83-F176 HydrophobicContact CD2-CZ 3.96Å; F83-F176 AromaticContact CE1-CE2 3.73Å; F83-F176 HydrophobicContact CE1-CE2 3.73Å; F83-F176 HydrophobicContact CE1-CZ 4.08Å; F83-F176 HydrophobicContact CE2-CE1 4.16Å; F83-F176 AromaticContact CE2-CE2 3.76Å; F83-F176 HydrophobicContact CE2-CE2 3.76Å; F83-F176 AromaticContact CE2-CZ 3.24Å; F83-F176 HydrophobicContact CE2-CZ 3.24Å; F83-F176 HydrophobicContact CZ-CD2 4.41Å; F83-F176 HydrophobicContact CZ-CE1 4.14Å; F83-F176 AromaticContact CZ-CE2 3.43Å; F83-F176 HydrophobicContact CZ-CE2 3.43Å; F83-F176 VanDerWaalsContact CZ-CE2 3.43Å; F83-F176 AromaticContact CZ-CZ 3.3Å; F83-F176 HydrophobicContact CZ-CZ 3.3Å |
| 84 | R | 80.8 | Confident | 86.9 | Confident | 53 Ų | 53 | 22.9 Ų | 22.9 | 20% | 0.2 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118 | -3.6 | 179.8 | -63.1 | -59.9 | -176.3 | -166.5 | 4.7 | 113.9 | Y50 S80 A81 A82 H86 F172 | Y50-R84 HydrophobicContact CD2-CG 4.05Å; Y50-R84 HydrophobicContact CE2-CG 4.46Å; Y50-R84 VanDerWaalsContact CE2-NH2 3.27Å; Y50-R84 PolarHBondContact OH-NH2 3.37Å; S80-R84 WeakPolarHBondContact O-CB 3.12Å; S80-R84 VanDerWaalsContact O-CG 3.26Å; S80-R84 WeakPolarHBondContact O-CG 3.47Å; S80-R84 PolarHBondContact O-N 3.28Å; A81-R84 CarbonylContact O-C 3.41Å; A81-R84 PolarHBondContact O-N 3.22Å; A82-R84 PolarHBondContact O-N 3.13Å; A82-R84 VanDerWaalsContact O-N 3.09Å; R84-H86 WeakPolarHBondContact CB-CD2 2.92Å; R84-H86 WeakPolarHBondContact CB-NE2 3.43Å; R84-H86 PolarHBondContact O-N 3.21Å; R84-F172 HydrophobicContact CG-CE1 4.06Å; R84-F172 VanDerWaalsContact NH2-CD2 3.33Å |
| 85 | G | 81.4 | Confident | 87.1 | Confident | 31 Ų | 31 | 27 Ų | 27 | 32% | 0.32 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69 | 18.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | A81 A82 T87 | A81-G85 PolarHBondContact O-N 2.71Å; A82-G85 PolarHBondContact O-N 3.22Å; G85-T87 VanDerWaalsContact C-N 3.26Å; G85-T87 PolarHBondContact O-N 3Å |
| 86 | H | 85.4 | Confident | 87.1 | Confident | 35 Ų | 35 | 29.8 Ų | 29.8 | 16% | 0.162 | 16% | 0.155 | C | C | . | . | trans | -78.4 | 72.5 | -176.8 | -65.3 | -39.4 | 0 | 0 | 0 | 110.9 | Y50 Y51 G52 A81 R84 D88 V89 M90 | Y50-H86 PolarHBondContact O-NE2 3.27Å; Y51-H86 VanDerWaalsContact C-NE2 3.35Å; Y51-H86 PolarHBondContact O-NE2 3.2Å; G52-H86 WeakPolarHBondContact CA-CD2 3.25Å; G52-H86 VanDerWaalsContact CA-NE2 3.35Å; G52-H86 WeakPolarHBondContact CA-NE2 3.28Å; G52-H86 PolarHBondContact N-CD2 3.29Å; G52-H86 PolarHBondContact N-NE2 3.46Å; A81-H86 HydrophobicContact CB-CB 4.42Å; A81-H86 PolarHBondContact O-N 3.29Å; R84-H86 WeakPolarHBondContact CB-CD2 2.92Å; R84-H86 WeakPolarHBondContact CB-NE2 3.43Å; R84-H86 PolarHBondContact O-N 3.21Å; H86-D88 PolarHBondContact O-N 3.16Å; H86-D88 VanDerWaalsContact O-N 3.15Å; H86-V89 HydrophobicContact CB-CB 4.02Å; H86-V89 HydrophobicContact CB-CG2 4.36Å; H86-V89 PolarHBondContact O-N 2.9Å; H86-M90 VanDerWaalsContact O-CG 3.28Å; H86-M90 WeakPolarHBondContact O-CG 3.22Å; H86-M90 PolarHBondContact O-N 3.09Å | ||
| 87 | T | 84.4 | Confident | 87 | Confident | 39 Ų | 39 | 32 Ų | 32 | 24% | 0.239 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -51.1 | -37.1 | -175.7 | 45.1 | 0 | 0 | 0 | 0 | 114 | G85 M90 R91 C123 | G85-T87 VanDerWaalsContact C-N 3.26Å; G85-T87 PolarHBondContact O-N 3Å; T87-M90 WeakPolarHBondContact O-CB 3.46Å; T87-M90 PolarHBondContact O-N 3.18Å; T87-R91 WeakPolarHBondContact O-CB 3.3Å; T87-R91 PolarHBondContact O-N 3.26Å; T87-C123 HydrophobicContact CG2-CB 4.38Å |
| 88 | D | 85 | Confident | 86.9 | Confident | 95 Ų | 95 | 32.3 Ų | 32.3 | 51% | 0.508 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -76.8 | -40.8 | -176.2 | -57.3 | -30.6 | 0 | 0 | 0 | 111.6 | H86 R91 Q92 | H86-D88 PolarHBondContact O-N 3.16Å; H86-D88 VanDerWaalsContact O-N 3.15Å; D88-R91 VanDerWaalsContact O-CB 3.31Å; D88-R91 WeakPolarHBondContact O-CB 3.49Å; D88-R91 PolarHBondContact O-N 3.31Å; D88-R91 VanDerWaalsContact O-N 3.17Å; D88-Q92 WeakPolarHBondContact O-CG 3.34Å; D88-Q92 PolarHBondContact O-N 3.47Å |
| 89 | V | 88.2 | Confident | 86.7 | Confident | 3 Ų | 3 | 35.1 Ų | 35.1 | 2% | 0.018 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.7 | -40.4 | 169.5 | 168.8 | 0 | 0 | 0 | 0 | 111.3 | V57 A81 H86 R91 Q92 L93 | V57-V89 HydrophobicContact CG1-CG1 4.36Å; V57-V89 HydrophobicContact CG2-CG1 4.09Å; V57-V89 HydrophobicContact CG2-CG2 4.18Å; A81-V89 HydrophobicContact CB-CB 4.26Å; A81-V89 HydrophobicContact CB-CG1 3.65Å; H86-V89 HydrophobicContact CB-CB 4.02Å; H86-V89 HydrophobicContact CB-CG2 4.36Å; H86-V89 PolarHBondContact O-N 2.9Å; V89-R91 VanDerWaalsContact C-N 3.28Å; V89-R91 PolarHBondContact O-N 3.48Å; V89-Q92 PolarHBondContact O-N 2.94Å; V89-L93 HydrophobicContact CG1-CD1 3.84Å; V89-L93 HydrophobicContact CG1-CG 4.3Å; V89-L93 WeakPolarHBondContact O-CB 3.48Å; V89-L93 VanDerWaalsContact O-CG 3.25Å; V89-L93 WeakPolarHBondContact O-CG 3.45Å; V89-L93 PolarHBondContact O-N 3.39Å |
| 90 | M | 89.2 | Confident | 86.6 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.1 | -40.5 | 172.8 | -66.5 | 162.4 | 53.8 | 0 | 0 | 111.3 | L78 A81 A82 H86 T87 L94 L114 L125 L128 | L78-M90 HydrophobicContact CD1-CB 4.21Å; L78-M90 HydrophobicContact CD1-CG 4.3Å; A81-M90 HydrophobicContact CB-CG 3.54Å; A82-M90 HydrophobicContact CB-SD 4.48Å; H86-M90 VanDerWaalsContact O-CG 3.28Å; H86-M90 WeakPolarHBondContact O-CG 3.22Å; H86-M90 PolarHBondContact O-N 3.09Å; T87-M90 WeakPolarHBondContact O-CB 3.46Å; T87-M90 PolarHBondContact O-N 3.18Å; M90-L94 WeakPolarHBondContact O-CB 3.41Å; M90-L94 WeakPolarHBondContact O-CG 3.15Å; M90-L94 PolarHBondContact O-N 3.48Å; M90-L114 HydrophobicContact CE-CD1 3.51Å; M90-L114 HydrophobicContact CE-CD2 3.69Å; M90-L114 HydrophobicContact CE-CG 4.14Å; M90-L114 HydrophobicContact SD-CD2 3.98Å; M90-L125 HydrophobicContact CE-CD2 3.67Å; M90-L125 HydrophobicContact CE-CG 4.34Å; M90-L128 HydrophobicContact CB-CD1 4.24Å; M90-L128 HydrophobicContact CE-CD1 3.62Å |
| 91 | R | 87.5 | Confident | 86.5 | Confident | 92 Ų | 92 | 41.8 Ų | 41.8 | 35% | 0.347 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.3 | -51 | 176.1 | -162.3 | -166.2 | -58.6 | -121.1 | 3.9 | 110.8 | T87 D88 V89 L93 L94 T95 E131 | T87-R91 WeakPolarHBondContact O-CB 3.3Å; T87-R91 PolarHBondContact O-N 3.26Å; D88-R91 VanDerWaalsContact O-CB 3.31Å; D88-R91 WeakPolarHBondContact O-CB 3.49Å; D88-R91 PolarHBondContact O-N 3.31Å; D88-R91 VanDerWaalsContact O-N 3.17Å; V89-R91 VanDerWaalsContact C-N 3.28Å; V89-R91 PolarHBondContact O-N 3.48Å; R91-L93 PolarHBondContact O-N 2.86Å; R91-L94 PolarHBondContact O-N 2.88Å; R91-T95 PolarHBondContact O-N 2.98Å; R91-T95 PolarHBondContact O-OG1 3.41Å; R91-E131 IonicContact CZ-OE2 3.16Å; R91-E131 IonicContact NH1-OE2 2.63Å; R91-E131 PolarHBondContact NH1-OE2 3.12Å; R91-E131 IonicContact NH2-OE2 3.45Å |
| 92 | Q | 90 | Very high | 86.4 | Confident | 23 Ų | 23 | 46.5 Ų | 46.5 | 11% | 0.107 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -53.4 | -53.6 | 175.4 | -71.6 | 167.5 | -35.8 | 0 | 0 | 111.5 | S54 V57 D58 L61 D88 V89 L94 T95 H96 | S54-Q92 PolarHBondContact O-NE2 3.46Å; S54-Q92 VanDerWaalsContact O-NE2 3.09Å; V57-Q92 HydrophobicContact CG1-CB 4.09Å; D58-Q92 PolarHBondContact OD1-NE2 3.48Å; D58-Q92 PolarHBondContact OD2-NE2 3.24Å; L61-Q92 HydrophobicContact CD1-CB 4.16Å; D88-Q92 WeakPolarHBondContact O-CG 3.34Å; D88-Q92 PolarHBondContact O-N 3.47Å; V89-Q92 PolarHBondContact O-N 2.94Å; Q92-L94 PolarHBondContact O-N 2.98Å; Q92-T95 WeakPolarHBondContact CA-OG1 3.35Å; Q92-T95 PolarHBondContact O-N 2.68Å; Q92-T95 PolarHBondContact O-OG1 2.89Å; Q92-H96 PolarHBondContact O-CD2 3.38Å; Q92-H96 PolarHBondContact O-N 3.4Å |
| 93 | L | 90.8 | Very high | 86.3 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.6 | -44.5 | 179.2 | -72.2 | 170.4 | 0 | 0 | 0 | 112.3 | L45 L61 P67 P77 L78 A81 V89 R91 H96 G97 A98 | L45-L93 HydrophobicContact CD1-CD2 4.2Å; L45-L93 HydrophobicContact CD2-CD2 4.13Å; L45-L93 HydrophobicContact CG-CD2 4.3Å; L61-L93 HydrophobicContact CD1-CD2 4.29Å; L61-L93 HydrophobicContact CD2-CD2 4.32Å; P67-L93 HydrophobicContact CB-CD2 3.86Å; P77-L93 HydrophobicContact CB-CD1 3.99Å; P77-L93 HydrophobicContact CB-CD2 3.85Å; L78-L93 HydrophobicContact CB-CD1 4.41Å; L78-L93 HydrophobicContact CD1-CB 4.27Å; L78-L93 HydrophobicContact CD1-CD1 4.45Å; A81-L93 HydrophobicContact CB-CD1 4.03Å; V89-L93 HydrophobicContact CG1-CD1 3.84Å; V89-L93 HydrophobicContact CG1-CG 4.3Å; V89-L93 WeakPolarHBondContact O-CB 3.48Å; V89-L93 VanDerWaalsContact O-CG 3.25Å; V89-L93 WeakPolarHBondContact O-CG 3.45Å; V89-L93 PolarHBondContact O-N 3.39Å; R91-L93 PolarHBondContact O-N 2.86Å; L93-H96 CarbonylContact O-C 3.45Å; L93-H96 PolarHBondContact O-N 3.48Å; L93-G97 PolarHBondContact O-N 3.14Å; L93-A98 HydrophobicContact CB-CB 3.97Å; L93-A98 WeakPolarHBondContact O-CB 3.5Å; L93-A98 PolarHBondContact O-N 3.24Å |
| 94 | L | 89.5 | Confident | 86.4 | Confident | 17 Ų | 17 | 51.2 Ų | 51.2 | 9% | 0.089 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.6 | -38.6 | 176.9 | -72.4 | 177.7 | 0 | 0 | 0 | 112.4 | L78 M90 R91 Q92 H96 G97 L125 L128 K129 | L78-L94 HydrophobicContact CD1-CD2 4.19Å; L78-L94 HydrophobicContact CD1-CG 4.14Å; L78-L94 HydrophobicContact CD2-CD2 3.79Å; M90-L94 WeakPolarHBondContact O-CB 3.41Å; M90-L94 WeakPolarHBondContact O-CG 3.15Å; M90-L94 PolarHBondContact O-N 3.48Å; R91-L94 PolarHBondContact O-N 2.88Å; Q92-L94 PolarHBondContact O-N 2.98Å; L94-H96 VanDerWaalsContact C-N 3.3Å; L94-H96 PolarHBondContact O-N 2.96Å; L94-G97 PolarHBondContact O-N 3.21Å; L94-L125 HydrophobicContact CD1-CD2 3.82Å; L94-L128 HydrophobicContact CD1-CB 4.09Å; L94-K129 HydrophobicContact CD1-CG 4.13Å |
| 95 | T | 88.2 | Confident | 86.4 | Confident | 106 Ų | 106 | 52.7 Ų | 52.7 | 65% | 0.65 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -68 | -29 | 175.6 | 45.7 | 0 | 0 | 0 | 0 | 113.2 | R91 Q92 | R91-T95 PolarHBondContact O-N 2.98Å; R91-T95 PolarHBondContact O-OG1 3.41Å; Q92-T95 WeakPolarHBondContact CA-OG1 3.35Å; Q92-T95 PolarHBondContact O-N 2.68Å; Q92-T95 PolarHBondContact O-OG1 2.89Å |
| 96 | H | 87.5 | Confident | 85.8 | Confident | 81 Ų | 81 | 55.7 Ų | 55.7 | 38% | 0.375 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 13.5 | 174.2 | -76.1 | -93.3 | 0 | 0 | 0 | 114 | L61 Q92 L93 L94 | L61-H96 HydrophobicContact CB-CB 4.38Å; L61-H96 HydrophobicContact CD1-CB 4.04Å; L61-H96 HydrophobicContact CD2-CB 3.88Å; L61-H96 HydrophobicContact CG-CB 4.33Å; Q92-H96 PolarHBondContact O-CD2 3.38Å; Q92-H96 PolarHBondContact O-N 3.4Å; L93-H96 CarbonylContact O-C 3.45Å; L93-H96 PolarHBondContact O-N 3.48Å; L94-H96 VanDerWaalsContact C-N 3.3Å; L94-H96 PolarHBondContact O-N 2.96Å |
| 97 | G | 87.3 | Confident | 85.5 | Confident | 47 Ų | 47 | 56.1 Ų | 56.1 | 49% | 0.485 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.4 | 27.7 | 169 | 0 | 0 | 0 | 0 | 0 | 116.3 | N68 L93 L94 D99 | N68-G97 PolarHBondContact ND2-O 3.06Å; N68-G97 VanDerWaalsContact ND2-O 3.08Å; L93-G97 PolarHBondContact O-N 3.14Å; L94-G97 PolarHBondContact O-N 3.21Å; G97-D99 PolarHBondContact O-N 3.25Å |
| 98 | A | 88.2 | Confident | 85.4 | Confident | 6 Ų | 6 | 56 Ų | 56 | 5% | 0.05 | 31% | 0.311 | C | S | . | . | trans | -64.6 | 125.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | P67 N68 L78 L93 | P67-A98 HydrophobicContact CB-CB 4.03Å; P67-A98 HydrophobicContact CG-CB 4.45Å; N68-A98 WeakPolarHBondContact OD1-CA 3.46Å; L78-A98 HydrophobicContact CB-CB 4.18Å; L78-A98 HydrophobicContact CD2-CB 4.1Å; L93-A98 HydrophobicContact CB-CB 3.97Å; L93-A98 WeakPolarHBondContact O-CB 3.5Å; L93-A98 PolarHBondContact O-N 3.24Å | ||
| 99 | D | 87 | Confident | 85.4 | Confident | 60 Ų | 60 | 52.3 Ų | 52.3 | 32% | 0.321 | 29% | 0.292 | S | S | . | . | trans | -81 | 120.1 | 176.4 | 178.6 | 18.8 | 0 | 0 | 0 | 111.3 | N68 G97 S101 Y102 | N68-D99 PolarHBondContact OD1-N 3.39Å; G97-D99 PolarHBondContact O-N 3.25Å; D99-S101 VanDerWaalsContact CG-OG 3.29Å; D99-S101 PolarHBondContact O-N 2.99Å; D99-S101 WeakPolarHBondContact OD1-CB 3.47Å; D99-S101 PolarHBondContact OD1-N 3.41Å; D99-S101 PolarHBondContact OD1-OG 3.14Å; D99-S101 PolarHBondContact OD2-OG 3.3Å; D99-Y102 HydrophobicContact CB-CD2 3.7Å; D99-Y102 HydrophobicContact CB-CE2 3.77Å | ||
| 100 | E | 86.6 | Confident | 85.2 | Confident | 73 Ų | 73 | 52.1 Ų | 52.1 | 34% | 0.341 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -11.8 | 177.4 | 72.7 | -155.3 | 151 | 0 | 0 | 113.4 | L78 K129 | L78-E100 HydrophobicContact CD2-CB 4.34Å; E100-K129 IonicContact OE1-NZ 3.75Å; E100-K129 PolarHBondContact OE1-NZ 3.22Å; E100-K129 WeakPolarHBondContact OE2-CE 3.28Å; E100-K129 IonicContact OE2-NZ 3.98Å; E100-K129 PolarHBondContact OE2-NZ 3.3Å |
| 101 | S | 85.1 | Confident | 84.8 | Confident | 74 Ų | 74 | 54.3 Ų | 54.3 | 52% | 0.517 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -17.8 | -178.3 | 96.1 | 0 | 0 | 0 | 0 | 114 | D99 | D99-S101 VanDerWaalsContact CG-OG 3.29Å; D99-S101 PolarHBondContact O-N 2.99Å; D99-S101 WeakPolarHBondContact OD1-CB 3.47Å; D99-S101 PolarHBondContact OD1-N 3.41Å; D99-S101 PolarHBondContact OD1-OG 3.14Å; D99-S101 PolarHBondContact OD2-OG 3.3Å |
| 102 | Y | 84.4 | Confident | 84.3 | Confident | 99 Ų | 99 | 53.1 Ų | 53.1 | 39% | 0.388 | 31% | 0.309 | S | S | . | . | trans | -54.7 | 146.3 | 176.4 | -86.1 | -66 | 0 | 0 | 0 | 111.9 | N68 T76 H79 D99 T109 | N68-Y102 HydrophobicContact CB-CE2 3.71Å; N68-Y102 WeakPolarHBondContact OD1-CE2 3.48Å; T76-Y102 HydrophobicContact CG2-CD2 4.1Å; T76-Y102 HydrophobicContact CG2-CG 4.06Å; H79-Y102 PolarHBondContact CE1-O 2.97Å; H79-Y102 PolarHBondContact NE2-O 3.42Å; D99-Y102 HydrophobicContact CB-CD2 3.7Å; D99-Y102 HydrophobicContact CB-CE2 3.77Å; Y102-T109 WeakPolarHBondContact O-CA 3.43Å | ||
| 103 | K | 84.6 | Confident | 83.6 | Confident | 132 Ų | 132 | 52.4 Ų | 52.4 | 57% | 0.574 | 31% | 0.307 | S | S | * | . | trans | -129.2 | 129 | 178.1 | -68 | 178.7 | -178.1 | -169.9 | 0 | 110.6 | M108 T109 | K103-M108 VanDerWaalsContact CA-O 3.3Å; K103-M108 WeakPolarHBondContact CA-O 3.25Å; K103-T109 HydrophobicContact CD-CG2 4.34Å; K103-T109 HydrophobicContact CG-CG2 3.73Å | ||
| 104 | N | 82.7 | Confident | 82.6 | Confident | 10 Ų | 10 | 53.8 Ų | 53.8 | 5% | 0.053 | 31% | 0.314 | C | S | . | . | trans | -71.3 | 178.7 | 174 | 68.7 | 11.2 | 0 | 0 | 0 | 112.4 | G74 N75 L106 G107 M108 | G74-N104 WeakPolarHBondContact O-CA 3.32Å; N75-N104 WeakPolarHBondContact OD1-CB 3.49Å; N75-N104 PolarHBondContact OD1-ND2 3.37Å; N104-L106 PolarHBondContact O-N 3.27Å; N104-L106 VanDerWaalsContact O-N 3.08Å; N104-L106 WeakPolarHBondContact OD1-CB 3.19Å; N104-L106 PolarHBondContact OD1-N 3.08Å; N104-L106 VanDerWaalsContact OD1-N 3.11Å; N104-G107 WeakPolarHBondContact O-CA 3.46Å; N104-G107 PolarHBondContact O-N 2.97Å; N104-G107 PolarHBondContact OD1-N 3.08Å; N104-M108 PolarHBondContact N-O 3.11Å; N104-M108 PolarHBondContact OD1-N 3.34Å; N104-M108 VanDerWaalsContact OD1-N 3.15Å; N104-M108 PolarHBondContact OD1-O 3.04Å | ||
| 105 | S | 80.6 | Confident | 81.1 | Confident | 83 Ų | 83 | 61.4 Ų | 61.4 | 58% | 0.58 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -15.6 | 179.4 | 60.8 | 0 | 0 | 0 | 0 | 114.8 | E73 G107 | E73-S105 WeakPolarHBondContact O-CB 3.39Å; E73-S105 PolarHBondContact O-N 3.17Å; E73-S105 PolarHBondContact O-OG 2.84Å; S105-G107 VanDerWaalsContact C-N 3.34Å |
| 106 | L | 70.8 | Confident | 79.4 | Confident | 94 Ų | 94 | 57 Ų | 57 | 49% | 0.492 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -3.9 | 172.7 | -59.6 | 171.9 | 0 | 0 | 0 | 112.6 | N104 M108 | N104-L106 PolarHBondContact O-N 3.27Å; N104-L106 VanDerWaalsContact O-N 3.08Å; N104-L106 WeakPolarHBondContact OD1-CB 3.19Å; N104-L106 PolarHBondContact OD1-N 3.08Å; N104-L106 VanDerWaalsContact OD1-N 3.11Å; L106-M108 VanDerWaalsContact C-N 3.28Å; L106-M108 HydrophobicContact CB-CE 4.01Å; L106-M108 HydrophobicContact CB-CG 4.29Å; L106-M108 HydrophobicContact CD1-CE 3.7Å |
| 107 | G | 78.7 | Confident | 77.5 | Confident | 44 Ų | 44 | 54.4 Ų | 54.4 | 45% | 0.454 | 31% | 0.311 | S | S | . | . | S | Bend | trans | 78.9 | 8.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | N104 S105 | N104-G107 WeakPolarHBondContact O-CA 3.46Å; N104-G107 PolarHBondContact O-N 2.97Å; N104-G107 PolarHBondContact OD1-N 3.08Å; S105-G107 VanDerWaalsContact C-N 3.34Å |
| 108 | M | 81.2 | Confident | 75.5 | Confident | 36 Ų | 36 | 60.7 Ų | 60.7 | 18% | 0.177 | 33% | 0.328 | C | S | . | . | trans | -91.4 | 143.4 | -179.1 | -61.9 | -169.9 | -55.1 | 0 | 0 | 110.5 | H79 K103 N104 L106 D112 L113 F179 | H79-M108 PolarHBondContact NE2-O 2.87Å; K103-M108 VanDerWaalsContact CA-O 3.3Å; K103-M108 WeakPolarHBondContact CA-O 3.25Å; N104-M108 PolarHBondContact N-O 3.11Å; N104-M108 PolarHBondContact OD1-N 3.34Å; N104-M108 VanDerWaalsContact OD1-N 3.15Å; N104-M108 PolarHBondContact OD1-O 3.04Å; L106-M108 VanDerWaalsContact C-N 3.28Å; L106-M108 HydrophobicContact CB-CE 4.01Å; L106-M108 HydrophobicContact CB-CG 4.29Å; L106-M108 HydrophobicContact CD1-CE 3.7Å; M108-D112 HydrophobicContact CB-CB 3.94Å; M108-D112 HydrophobicContact CG-CB 4.31Å; M108-L113 HydrophobicContact CE-CD2 3.54Å; M108-L113 HydrophobicContact CE-CG 4.39Å; M108-F179 HydrophobicContact SD-CE1 4.28Å | ||
| 109 | T | 85.9 | Confident | 73.3 | Confident | 18 Ų | 18 | 63.4 Ų | 63.4 | 11% | 0.11 | 35% | 0.347 | C | S | . | . | trans | -87.3 | 171.8 | 167 | 63.4 | 0 | 0 | 0 | 0 | 111.1 | Y102 K103 A111 D112 L113 | Y102-T109 WeakPolarHBondContact O-CA 3.43Å; K103-T109 HydrophobicContact CD-CG2 4.34Å; K103-T109 HydrophobicContact CG-CG2 3.73Å; T109-A111 PolarHBondContact O-N 3.23Å; T109-A111 WeakPolarHBondContact OG1-CB 3.37Å; T109-A111 PolarHBondContact OG1-N 3.04Å; T109-D112 WeakPolarHBondContact CB-OD2 3.24Å; T109-D112 PolarHBondContact N-OD2 3.15Å; T109-D112 PolarHBondContact O-N 3.28Å; T109-D112 PolarHBondContact OG1-N 3.06Å; T109-D112 PolarHBondContact OG1-OD2 3.11Å; T109-L113 PolarHBondContact O-N 3.35Å; T109-L113 VanDerWaalsContact O-N 3.14Å | ||
| 110 | A | 82.8 | Confident | 70.9 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -57.9 | -27 | 167.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L78 A82 L114 L125 | L78-A110 HydrophobicContact CD2-CB 4.07Å; L78-A110 HydrophobicContact CG-CB 3.86Å; A82-A110 HydrophobicContact CB-CB 4.05Å; A82-A110 WeakPolarHBondContact CB-O 3.39Å; A110-L114 WeakPolarHBondContact O-CG 3.49Å; A110-L114 PolarHBondContact O-N 3.34Å; A110-L125 HydrophobicContact CB-CD1 4.17Å |
| 111 | A | 80.8 | Confident | 68.7 | Low | 46 Ų | 46 | 69.5 Ų | 69.5 | 38% | 0.38 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -71.1 | -43.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | T109 L113 L114 E115 L125 | T109-A111 PolarHBondContact O-N 3.23Å; T109-A111 WeakPolarHBondContact OG1-CB 3.37Å; T109-A111 PolarHBondContact OG1-N 3.04Å; A111-L113 PolarHBondContact O-N 3.5Å; A111-L114 PolarHBondContact O-N 3.02Å; A111-L114 VanDerWaalsContact O-N 3.15Å; A111-E115 PolarHBondContact O-N 2.94Å; A111-L125 HydrophobicContact CB-CD1 3.77Å |
| 112 | D | 77.4 | Confident | 66.8 | Low | 66 Ų | 66 | 74.4 Ų | 74.4 | 35% | 0.353 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64 | -28.6 | 176.5 | -58.8 | -74.5 | 0 | 0 | 0 | 111.6 | M108 T109 | M108-D112 HydrophobicContact CB-CB 3.94Å; M108-D112 HydrophobicContact CG-CB 4.31Å; T109-D112 WeakPolarHBondContact CB-OD2 3.24Å; T109-D112 PolarHBondContact N-OD2 3.15Å; T109-D112 PolarHBondContact O-N 3.28Å; T109-D112 PolarHBondContact OG1-N 3.06Å; T109-D112 PolarHBondContact OG1-OD2 3.11Å |
| 113 | L | 75.6 | Confident | 65.3 | Low | 9 Ų | 9 | 71.5 Ų | 71.5 | 5% | 0.047 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -71.4 | -36.6 | 172.9 | -74.3 | 175.6 | 0 | 0 | 0 | 112.9 | H79 A82 F83 M108 T109 A111 A116 H117 | H79-L113 HydrophobicContact CB-CD1 3.82Å; A82-L113 HydrophobicContact CB-CB 4.25Å; F83-L113 HydrophobicContact CB-CD1 4.41Å; F83-L113 HydrophobicContact CD2-CD2 4.08Å; M108-L113 HydrophobicContact CE-CD2 3.54Å; M108-L113 HydrophobicContact CE-CG 4.39Å; T109-L113 PolarHBondContact O-N 3.35Å; T109-L113 VanDerWaalsContact O-N 3.14Å; A111-L113 PolarHBondContact O-N 3.5Å; L113-A116 WeakPolarHBondContact O-CB 3.45Å; L113-A116 PolarHBondContact O-N 2.84Å; L113-H117 PolarHBondContact O-CD2 3.36Å |
| 114 | L | 70 | Confident | 64 | Low | 29 Ų | 29 | 69 Ų | 69 | 15% | 0.152 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -67.5 | -38.8 | 178.5 | -73 | 158.6 | 0 | 0 | 0 | 112.9 | A82 M90 A110 A111 A116 H117 L125 | A82-L114 HydrophobicContact CB-CD1 4.48Å; A82-L114 HydrophobicContact CB-CD2 4.24Å; A82-L114 HydrophobicContact CB-CG 3.99Å; M90-L114 HydrophobicContact CE-CD1 3.51Å; M90-L114 HydrophobicContact CE-CD2 3.69Å; M90-L114 HydrophobicContact CE-CG 4.14Å; M90-L114 HydrophobicContact SD-CD2 3.98Å; A110-L114 WeakPolarHBondContact O-CG 3.49Å; A110-L114 PolarHBondContact O-N 3.34Å; A111-L114 PolarHBondContact O-N 3.02Å; A111-L114 VanDerWaalsContact O-N 3.15Å; L114-A116 PolarHBondContact O-N 3.12Å; L114-H117 PolarHBondContact O-N 3.18Å; L114-H117 VanDerWaalsContact O-N 3.09Å; L114-L125 HydrophobicContact CD1-CD1 3.72Å; L114-L125 HydrophobicContact CD1-CD2 4.12Å; L114-L125 HydrophobicContact CD1-CG 3.54Å |
| 115 | E | 57.3 | Low | 63 | Low | 177 Ų | 177 | 69 Ų | 69 | 83% | 0.827 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -9.8 | 176.2 | -68.5 | -159.1 | 169.6 | 0 | 0 | 113.5 | A111 | A111-E115 PolarHBondContact O-N 2.94Š|
| 116 | A | 53.3 | Low | 61.9 | Low | 13 Ų | 13 | 69.4 Ų | 69.4 | 11% | 0.107 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -30.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | L113 L114 F179 | L113-A116 WeakPolarHBondContact O-CB 3.45Å; L113-A116 PolarHBondContact O-N 2.84Å; L114-A116 PolarHBondContact O-N 3.12Å; A116-F179 HydrophobicContact CB-CD2 3.89Å; A116-F179 HydrophobicContact CB-CE2 3.23Å; A116-F179 HydrophobicContact CB-CZ 3.73Å |
| 117 | H | 48.1 | Very low | 61.3 | Low | 26 Ų | 26 | 70.2 Ų | 70.2 | 12% | 0.12 | 39% | 0.393 | C | S | . | . | trans | -90.1 | 121.8 | -173 | -67.8 | -94.3 | 0 | 0 | 0 | 109.9 | F83 L113 L114 S119 E175 | F83-H117 PolarHBondContact O-CE1 3.09Å; F83-H117 PolarHBondContact O-NE2 2.73Å; L113-H117 PolarHBondContact O-CD2 3.36Å; L114-H117 PolarHBondContact O-N 3.18Å; L114-H117 VanDerWaalsContact O-N 3.09Å; H117-S119 VanDerWaalsContact C-N 3.25Å; H117-S119 PolarHBondContact O-N 2.95Å; H117-E175 IonicContact CE1-OE2 3.45Å; H117-E175 IonicContact CG-OE2 3.55Å; H117-E175 IonicContact ND1-OE2 3.6Å; H117-E175 PolarHBondContact ND1-OE2 3.5Å | ||
| 118 | Q | 45.1 | Very low | 60.4 | Low | 179 Ų | 179 | 69 Ų | 69 | 84% | 0.836 | 38% | 0.376 | S | S | * | . | trans | -92.5 | 21.1 | 180 | -64.1 | -172.4 | -0.3 | 0 | 0 | 112.7 | ||||
| 119 | S | 40.7 | Very low | 59.2 | Low | 64 Ų | 64 | 72.6 Ų | 72.6 | 45% | 0.448 | 39% | 0.391 | S | S | . | . | trans | -60.4 | 148.3 | 168.3 | 53.5 | 0 | 0 | 0 | 0 | 110.1 | H117 E121 | H117-S119 VanDerWaalsContact C-N 3.25Å; H117-S119 PolarHBondContact O-N 2.95Å; S119-E121 PolarHBondContact O-N 3.22Å | ||
| 120 | A | 36.6 | Very low | 57 | Low | 112 Ų | 112 | 73.1 Ų | 73.1 | 93% | 0.926 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -73 | -2.8 | -158.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 121 | E | 41.8 | Very low | 54.8 | Low | 149 Ų | 149 | 80.3 Ų | 80.3 | 70% | 0.696 | 43% | 0.433 | S | S | * | . | trans | -106 | 117.8 | -175.1 | -62.5 | -165.1 | 157.4 | 0 | 0 | 112.2 | S119 C123 | S119-E121 PolarHBondContact O-N 3.22Å; E121-C123 PolarHBondContact O-N 2.87Å | ||
| 122 | K | 44.6 | Very low | 52.8 | Low | 177 Ų | 177 | 87.9 Ų | 87.9 | 77% | 0.77 | 46% | 0.461 | S | S | * | . | trans | -76.8 | 75.1 | 172.3 | -76.9 | -171.7 | 171.8 | -176.1 | 0 | 111.7 | D124 K127 | K122-D124 PolarHBondContact O-N 3.23Å; K122-K127 PolarHBondContact O-NZ 2.94Å | ||
| 123 | C | 52.9 | Low | 50.5 | Low | 38 Ų | 38 | 89.5 Ų | 89.5 | 26% | 0.257 | 48% | 0.478 | S | S | . | . | trans | -75.2 | 90 | 166.6 | -80.3 | 0 | 0 | 0 | 0 | 110.7 | T87 E121 | T87-C123 HydrophobicContact CG2-CB 4.38Å; E121-C123 PolarHBondContact O-N 2.87Å | ||
| 124 | D | 57.5 | Low | 48.1 | Very low | 79 Ų | 79 | 97.3 Ų | 97.3 | 42% | 0.422 | 51% | 0.514 | S | S | . | . | trans | -70.5 | 129.7 | 162.1 | -50.9 | -62.1 | 0 | 0 | 0 | 108.1 | K122 S126 K127 | K122-D124 PolarHBondContact O-N 3.23Å; D124-S126 PolarHBondContact O-N 2.88Å; D124-S126 VanDerWaalsContact O-N 3.08Å; D124-K127 HydrophobicContact CB-CD 4.06Å; D124-K127 HydrophobicContact CB-CG 4.2Å; D124-K127 WeakPolarHBondContact O-CB 3.28Å; D124-K127 PolarHBondContact O-N 3.45Å; D124-K127 WeakPolarHBondContact OD2-CE 3.48Å; D124-K127 IonicContact OD2-NZ 2.59Å; D124-K127 PolarHBondContact OD2-NZ 3.48Å | ||
| 125 | L | 61.1 | Low | 46.1 | Very low | 11 Ų | 11 | 104.9 Ų | 104.9 | 6% | 0.058 | 55% | 0.545 | C | S | . | . | H | α-helix | trans | -52.3 | -33.1 | 176.5 | -82.6 | 157 | 0 | 0 | 0 | 112.8 | L78 M90 L94 A110 A111 L114 K127 L128 | L78-L125 HydrophobicContact CD1-CD2 4.43Å; M90-L125 HydrophobicContact CE-CD2 3.67Å; M90-L125 HydrophobicContact CE-CG 4.34Å; L94-L125 HydrophobicContact CD1-CD2 3.82Å; A110-L125 HydrophobicContact CB-CD1 4.17Å; A111-L125 HydrophobicContact CB-CD1 3.77Å; L114-L125 HydrophobicContact CD1-CD1 3.72Å; L114-L125 HydrophobicContact CD1-CD2 4.12Å; L114-L125 HydrophobicContact CD1-CG 3.54Å; L125-K127 VanDerWaalsContact C-N 3.27Å; L125-K127 PolarHBondContact O-N 3.28Å; L125-L128 PolarHBondContact O-N 3.26Å |
| 126 | S | 58 | Low | 44.7 | Very low | 91 Ų | 91 | 102 Ų | 102 | 64% | 0.636 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66 | -21.3 | 176.4 | 53.9 | 0 | 0 | 0 | 0 | 114.5 | D124 | D124-S126 PolarHBondContact O-N 2.88Å; D124-S126 VanDerWaalsContact O-N 3.08Å |
| 127 | K | 57.8 | Low | 43.6 | Very low | 111 Ų | 111 | 109 Ų | 109 | 48% | 0.483 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -77 | -37.8 | 171.4 | -70.9 | 165 | 171.1 | 152.3 | 0 | 112 | K122 D124 L125 K129 G130 | K122-K127 PolarHBondContact O-NZ 2.94Å; D124-K127 HydrophobicContact CB-CD 4.06Å; D124-K127 HydrophobicContact CB-CG 4.2Å; D124-K127 WeakPolarHBondContact O-CB 3.28Å; D124-K127 PolarHBondContact O-N 3.45Å; D124-K127 WeakPolarHBondContact OD2-CE 3.48Å; D124-K127 IonicContact OD2-NZ 2.59Å; D124-K127 PolarHBondContact OD2-NZ 3.48Å; L125-K127 VanDerWaalsContact C-N 3.27Å; L125-K127 PolarHBondContact O-N 3.28Å; K127-K129 PolarHBondContact O-N 2.88Å; K127-K129 VanDerWaalsContact O-N 3.12Å; K127-G130 PolarHBondContact O-N 2.96Å |
| 128 | L | 59.9 | Low | 42.7 | Very low | 18 Ų | 18 | 118.7 Ų | 118.7 | 9% | 0.094 | 61% | 0.614 | C | S | . | * | H | α-helix | trans | -64.7 | -17.2 | -176.2 | -66.1 | 171.8 | 0 | 0 | 0 | 113.1 | M90 L94 L125 | M90-L128 HydrophobicContact CB-CD1 4.24Å; M90-L128 HydrophobicContact CE-CD1 3.62Å; L94-L128 HydrophobicContact CD1-CB 4.09Å; L125-L128 PolarHBondContact O-N 3.26Å |
| 129 | K | 55.4 | Low | 41.9 | Very low | 111 Ų | 111 | 117 Ų | 117 | 48% | 0.483 | 61% | 0.611 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.4 | -5.6 | 172.7 | -62.3 | -177.4 | 174 | -179.8 | 0 | 114.5 | L94 E100 K127 | L94-K129 HydrophobicContact CD1-CG 4.13Å; E100-K129 IonicContact OE1-NZ 3.75Å; E100-K129 PolarHBondContact OE1-NZ 3.22Å; E100-K129 WeakPolarHBondContact OE2-CE 3.28Å; E100-K129 IonicContact OE2-NZ 3.98Å; E100-K129 PolarHBondContact OE2-NZ 3.3Å; K127-K129 PolarHBondContact O-N 2.88Å; K127-K129 VanDerWaalsContact O-N 3.12Å |
| 130 | G | 40.5 | Very low | 41.3 | Very low | 29 Ų | 29 | 119.4 Ų | 119.4 | 30% | 0.299 | 62% | 0.618 | S | S | . | * | trans | -113 | -5.2 | -153.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | K127 Q132 S133 | K127-G130 PolarHBondContact O-N 2.96Å; G130-Q132 PolarHBondContact O-N 2.85Å; G130-S133 PolarHBondContact O-N 3.2Å; G130-S133 PolarHBondContact O-OG 2.71Å | ||
| 131 | E | 37.2 | Very low | 41.2 | Very low | 151 Ų | 151 | 120 Ų | 120 | 71% | 0.706 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | 5.5 | -166.3 | -62.3 | -161.8 | 115.3 | 0 | 0 | 116.2 | R91 | R91-E131 IonicContact CZ-OE2 3.16Å; R91-E131 IonicContact NH1-OE2 2.63Å; R91-E131 PolarHBondContact NH1-OE2 3.12Å; R91-E131 IonicContact NH2-OE2 3.45Å |
| 132 | Q | 37.4 | Very low | 40.7 | Very low | 206 Ų | 206 | 121.5 Ų | 121.5 | 96% | 0.963 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -5 | 164.6 | -71.8 | -164.6 | -7.6 | 0 | 0 | 114.3 | G130 | G130-Q132 PolarHBondContact O-N 2.85Š|
| 133 | S | 29.4 | Very low | 40.1 | Very low | 100 Ų | 100 | 115.6 Ų | 115.6 | 70% | 0.699 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -129.7 | 81.8 | 178.1 | 53.2 | 0 | 0 | 0 | 0 | 113.6 | G130 | G130-S133 PolarHBondContact O-N 3.2Å; G130-S133 PolarHBondContact O-OG 2.71Å |
| 134 | Q | 25.5 | Very low | 39.2 | Very low | 173 Ų | 173 | 118.1 Ų | 118.1 | 81% | 0.808 | 60% | 0.599 | S | S | * | * | trans | -66.8 | 151.2 | 170 | -68.4 | -172 | -4 | 0 | 0 | 113 | ||||
| 135 | K | 28.8 | Very low | 37.8 | Very low | 187 Ų | 187 | 119.5 Ų | 119.5 | 81% | 0.813 | 60% | 0.603 | S | S | * | * | trans | 98.3 | 124 | 165.8 | -57.3 | 165 | -176.9 | 170.1 | 0 | 115.9 | ||||
| 136 | S | 26.6 | Very low | 36.2 | Very low | 117 Ų | 117 | 127.2 Ų | 127.2 | 82% | 0.818 | 63% | 0.632 | S | S | * | * | trans | 65.8 | 152 | -171.8 | 80.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 137 | I | 31.8 | Very low | 35 | Very low | 160 Ų | 160 | 127.6 Ų | 127.6 | 82% | 0.821 | 63% | 0.626 | S | S | * | * | cis | -128.9 | 143.4 | 25 | -69.1 | 167.6 | 0 | 0 | 0 | 111.7 | ||||
| 138 | R | 28.6 | Very low | 33.6 | Very low | 229 Ų | 229 | 132.1 Ų | 132.1 | 86% | 0.864 | 64% | 0.64 | S | S | * | * | trans | -72.8 | 137.6 | 171.2 | -81.2 | 176.3 | 166.6 | 157.5 | -5.9 | 111.8 | ||||
| 139 | L | 27.8 | Very low | 32.4 | Very low | 145 Ų | 145 | 138.4 Ų | 138.4 | 76% | 0.759 | 67% | 0.667 | S | S | * | * | trans | 36.3 | 113.2 | 148 | -68.1 | 168.3 | 0 | 0 | 0 | 118.6 | L141 | L139-L141 HydrophobicContact CD2-CD1 4.45Š| ||
| 140 | N | 28.6 | Very low | 31.1 | Very low | 113 Ų | 113 | 142.3 Ų | 142.3 | 60% | 0.604 | 68% | 0.678 | S | S | * | * | trans | -142 | 65.2 | 155.7 | -136.1 | -31.5 | 0 | 0 | 0 | 113.7 | R142 S143 | N140-R142 PolarHBondContact O-N 3.17Å; N140-R142 VanDerWaalsContact O-N 3.08Å; N140-S143 WeakPolarHBondContact O-CB 3.35Å; N140-S143 PolarHBondContact O-N 3.32Å | ||
| 141 | L | 33.8 | Very low | 30.8 | Very low | 124 Ų | 124 | 146.2 Ų | 146.2 | 65% | 0.649 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -48.7 | -33.7 | 174.9 | -79.4 | 156.6 | 0 | 0 | 0 | 113.2 | L139 S143 V144 E145 | L139-L141 HydrophobicContact CD2-CD1 4.45Å; L141-S143 PolarHBondContact O-N 3.1Å; L141-V144 PolarHBondContact O-N 3.14Å; L141-E145 PolarHBondContact O-N 3.43Å |
| 142 | R | 30.5 | Very low | 30.5 | Very low | 181 Ų | 181 | 143.9 Ų | 143.9 | 68% | 0.683 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -63 | -22.7 | 177.4 | -71.3 | 178.4 | 171.3 | 176.1 | -2.6 | 113.8 | N140 R146 | N140-R142 PolarHBondContact O-N 3.17Å; N140-R142 VanDerWaalsContact O-N 3.08Å; R142-R146 WeakPolarHBondContact O-CD 3.42Å; R142-R146 VanDerWaalsContact O-CG 3.26Å; R142-R146 WeakPolarHBondContact O-CG 3.42Å; R142-R146 PolarHBondContact O-N 3.17Å |
| 143 | S | 32.1 | Very low | 30.4 | Very low | 54 Ų | 54 | 142.2 Ų | 142.2 | 38% | 0.378 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -73.8 | -44.7 | 173.7 | -61.7 | 0 | 0 | 0 | 0 | 111.5 | N140 L141 E145 R146 L147 | N140-S143 WeakPolarHBondContact O-CB 3.35Å; N140-S143 PolarHBondContact O-N 3.32Å; L141-S143 PolarHBondContact O-N 3.1Å; S143-E145 VanDerWaalsContact C-N 3.34Å; S143-E145 PolarHBondContact O-N 3.1Å; S143-R146 WeakPolarHBondContact O-CB 3.36Å; S143-R146 PolarHBondContact O-N 2.84Å; S143-R146 VanDerWaalsContact O-N 3.14Å; S143-L147 PolarHBondContact O-N 3.02Å; S143-L147 VanDerWaalsContact O-N 3.09Å |
| 144 | V | 34.5 | Very low | 30.5 | Very low | 90 Ų | 90 | 143.8 Ų | 143.8 | 55% | 0.545 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -61.4 | -42.4 | 178.8 | -175.4 | 0 | 0 | 0 | 0 | 110.7 | L141 R146 L147 R148 | L141-V144 PolarHBondContact O-N 3.14Å; V144-R146 VanDerWaalsContact C-N 3.34Å; V144-R146 PolarHBondContact O-N 2.93Å; V144-L147 PolarHBondContact O-N 3.15Å; V144-R148 WeakPolarHBondContact O-CB 3.38Å; V144-R148 PolarHBondContact O-N 2.79Å |
| 145 | E | 28.8 | Very low | 30.7 | Very low | 108 Ų | 108 | 142.2 Ų | 142.2 | 51% | 0.505 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -64.1 | -34.3 | 175.6 | -66.4 | -169.3 | 126.4 | 0 | 0 | 113.8 | L141 S143 K149 | L141-E145 PolarHBondContact O-N 3.43Å; S143-E145 VanDerWaalsContact C-N 3.34Å; S143-E145 PolarHBondContact O-N 3.1Å; E145-K149 WeakPolarHBondContact O-CB 3.49Å; E145-K149 WeakPolarHBondContact O-CG 3.37Å; E145-K149 PolarHBondContact O-N 3.34Å |
| 146 | R | 28.3 | Very low | 30.6 | Very low | 174 Ų | 174 | 138 Ų | 138 | 66% | 0.657 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -68.8 | -38.9 | 175.8 | -72.6 | 169.6 | -172.8 | -175.2 | 3.2 | 111.6 | R142 S143 V144 R150 | R142-R146 WeakPolarHBondContact O-CD 3.42Å; R142-R146 VanDerWaalsContact O-CG 3.26Å; R142-R146 WeakPolarHBondContact O-CG 3.42Å; R142-R146 PolarHBondContact O-N 3.17Å; S143-R146 WeakPolarHBondContact O-CB 3.36Å; S143-R146 PolarHBondContact O-N 2.84Å; S143-R146 VanDerWaalsContact O-N 3.14Å; V144-R146 VanDerWaalsContact C-N 3.34Å; V144-R146 PolarHBondContact O-N 2.93Å; R146-R150 WeakPolarHBondContact O-CG 3.37Å; R146-R150 PolarHBondContact O-N 2.74Å; R146-R150 VanDerWaalsContact O-N 3.15Å |
| 147 | L | 31.5 | Very low | 30.5 | Very low | 99 Ų | 99 | 138.7 Ų | 138.7 | 52% | 0.518 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -64.8 | -50.1 | 173.2 | -70.3 | 169.3 | 0 | 0 | 0 | 110.6 | S143 V144 K149 R150 H151 | S143-L147 PolarHBondContact O-N 3.02Å; S143-L147 VanDerWaalsContact O-N 3.09Å; V144-L147 PolarHBondContact O-N 3.15Å; L147-K149 VanDerWaalsContact C-N 3.27Å; L147-K149 PolarHBondContact O-N 3.08Å; L147-R150 WeakPolarHBondContact O-CA 3.34Å; L147-R150 PolarHBondContact O-N 3.4Å; L147-H151 PolarHBondContact O-CD2 2.85Å; L147-H151 PolarHBondContact O-N 3.49Å |
| 148 | R | 29.6 | Very low | 30.2 | Very low | 206 Ų | 206 | 138.9 Ų | 138.9 | 78% | 0.777 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -55.1 | -40.6 | 177.2 | -156.7 | 172.6 | -166.1 | 169.4 | 7.7 | 112.5 | V144 R150 S152 | V144-R148 WeakPolarHBondContact O-CB 3.38Å; V144-R148 PolarHBondContact O-N 2.79Å; R148-R150 PolarHBondContact O-N 2.99Å; R148-S152 WeakPolarHBondContact O-CB 3.29Å; R148-S152 PolarHBondContact O-N 2.93Å |
| 149 | K | 32.8 | Very low | 30.1 | Very low | 150 Ų | 150 | 133.4 Ų | 133.4 | 65% | 0.652 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -72.8 | -18.5 | 175 | -74.2 | 173.2 | 180 | 170.5 | 0 | 114.7 | E145 L147 | E145-K149 WeakPolarHBondContact O-CB 3.49Å; E145-K149 WeakPolarHBondContact O-CG 3.37Å; E145-K149 PolarHBondContact O-N 3.34Å; L147-K149 VanDerWaalsContact C-N 3.27Å; L147-K149 PolarHBondContact O-N 3.08Å |
| 150 | R | 28.6 | Very low | 29.9 | Very low | 193 Ų | 193 | 132 Ų | 132 | 73% | 0.728 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -85.8 | -48.1 | 172.5 | -78.7 | 178.3 | 170.8 | 176.2 | -3.6 | 112 | R146 L147 R148 S152 K153 | R146-R150 WeakPolarHBondContact O-CG 3.37Å; R146-R150 PolarHBondContact O-N 2.74Å; R146-R150 VanDerWaalsContact O-N 3.15Å; L147-R150 WeakPolarHBondContact O-CA 3.34Å; L147-R150 PolarHBondContact O-N 3.4Å; R148-R150 PolarHBondContact O-N 2.99Å; R150-S152 VanDerWaalsContact C-N 3.31Å; R150-S152 PolarHBondContact O-N 3.46Å; R150-K153 PolarHBondContact O-N 2.71Å |
| 151 | H | 33.8 | Very low | 29.8 | Very low | 110 Ų | 110 | 129.3 Ų | 129.3 | 51% | 0.509 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -63.5 | -36.2 | -179 | -75.7 | -115.2 | 0 | 0 | 0 | 112.3 | L147 K153 N154 | L147-H151 PolarHBondContact O-CD2 2.85Å; L147-H151 PolarHBondContact O-N 3.49Å; H151-K153 PolarHBondContact O-N 2.81Å; H151-N154 PolarHBondContact O-N 3.13Å |
| 152 | S | 31.6 | Very low | 29.3 | Very low | 103 Ų | 103 | 131 Ų | 131 | 72% | 0.72 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | -11 | 178.5 | -174.2 | 0 | 0 | 0 | 0 | 115.7 | R148 R150 | R148-S152 WeakPolarHBondContact O-CB 3.29Å; R148-S152 PolarHBondContact O-N 2.93Å; R150-S152 VanDerWaalsContact C-N 3.31Å; R150-S152 PolarHBondContact O-N 3.46Å |
| 153 | K | 34.5 | Very low | 29.1 | Very low | 171 Ų | 171 | 125.8 Ų | 125.8 | 74% | 0.743 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | -16.9 | -179.8 | -75.8 | -170.5 | 171.6 | -173.7 | 0 | 115.1 | R150 H151 | R150-K153 PolarHBondContact O-N 2.71Å; H151-K153 PolarHBondContact O-N 2.81Å |
| 154 | N | 31.3 | Very low | 28.7 | Very low | 132 Ų | 132 | 126.7 Ų | 126.7 | 71% | 0.706 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.9 | -26.2 | -171.2 | -72.9 | -5.9 | 0 | 0 | 0 | 114.7 | H151 S156 | H151-N154 PolarHBondContact O-N 3.13Å; N154-S156 PolarHBondContact O-N 3.33Å |
| 155 | N | 30.1 | Very low | 28.3 | Very low | 141 Ų | 141 | 128.4 Ų | 128.4 | 75% | 0.754 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | 26.9 | -171.9 | -65.2 | 15.8 | 0 | 0 | 0 | 114.6 | ||
| 156 | S | 27.2 | Very low | 28.2 | Very low | 98 Ų | 98 | 128.1 Ų | 128.1 | 69% | 0.685 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | 3.8 | -177.4 | 59.5 | 0 | 0 | 0 | 0 | 114.6 | N154 | N154-S156 PolarHBondContact O-N 3.33Š|
| 157 | K | 25.7 | Very low | 28 | Very low | 131 Ų | 131 | 128.2 Ų | 128.2 | 57% | 0.57 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -143.5 | 141.9 | -176.4 | -64.3 | 175.5 | -176.5 | 166.9 | 0 | 110.4 | ||
| 158 | Y | 24.7 | Very low | 27.7 | Very low | 165 Ų | 165 | 126.7 Ų | 126.7 | 65% | 0.647 | 62% | 0.622 | S | S | * | * | trans | 68.6 | 99.6 | 177.5 | -46.6 | -78.2 | 0 | 0 | 0 | 115.7 | T917 | Y158-T917 HydrophobicContact CE1-CG2 4.16Š| ||
| 159 | I | 26.8 | Very low | 27.6 | Very low | 113 Ų | 113 | 121 Ų | 121 | 58% | 0.579 | 60% | 0.604 | S | S | * | * | trans | -130.3 | 117.7 | 154.5 | -60.8 | 178.2 | 0 | 0 | 0 | 106.6 | ||||
| 160 | T | 22.3 | Very low | 27.2 | Very low | 117 Ų | 117 | 117.3 Ų | 117.3 | 72% | 0.718 | 60% | 0.596 | S | S | * | * | trans | -127.9 | 99 | 176.7 | 43.4 | 0 | 0 | 0 | 0 | 109 | F162 | T160-F162 PolarHBondContact O-N 3.35Š| ||
| 161 | P | 27.6 | Very low | 27.1 | Very low | 55 Ų | 55 | 111.3 Ų | 111.3 | 36% | 0.357 | 58% | 0.576 | S | S | . | * | trans | -84.6 | 108 | -176.3 | 30.3 | -29 | 0 | 0 | 0 | 110.8 | F212 | P161-F212 HydrophobicContact CB-CD1 3.74Å; P161-F212 HydrophobicContact CB-CE1 4.1Å; P161-F212 HydrophobicContact CG-CB 3.82Å; P161-F212 HydrophobicContact CG-CD1 3.48Å; P161-F212 VanDerWaalsContact CG-CD1 3.48Å; P161-F212 HydrophobicContact CG-CE1 4.28Å; P161-F212 HydrophobicContact CG-CG 3.87Å | ||
| 162 | F | 23 | Very low | 26.7 | Very low | 160 Ų | 160 | 107.3 Ų | 107.3 | 70% | 0.702 | 56% | 0.557 | S | S | * | * | trans | -96.4 | 127.8 | 146.5 | -90.2 | -96.7 | 0 | 0 | 0 | 106.8 | T160 | T160-F162 PolarHBondContact O-N 3.35Š| ||
| 163 | C | 26.3 | Very low | 26.4 | Very low | 71 Ų | 71 | 105 Ų | 105 | 48% | 0.48 | 54% | 0.54 | S | S | . | . | trans | -142.8 | 84.7 | 162.1 | -66.3 | 0 | 0 | 0 | 0 | 106.1 | F165 | C163-F165 HydrophobicContact CB-CD2 3.94Å; C163-F165 HydrophobicContact CB-CE2 3.92Å; C163-F165 PolarHBondContact O-N 3.2Å; C163-F165 VanDerWaalsContact O-N 3.12Å | ||
| 164 | S | 23.2 | Very low | 25.9 | Very low | 73 Ų | 73 | 99.5 Ų | 99.5 | 51% | 0.51 | 51% | 0.514 | S | S | . | . | trans | -86.7 | 67.1 | 178.7 | 40.8 | 0 | 0 | 0 | 0 | 109.8 | N166 | S164-N166 PolarHBondContact O-N 3.44Å; S164-N166 PolarHBondContact O-ND2 3.45Å | ||
| 165 | F | 27.7 | Very low | 25.7 | Very low | 127 Ų | 127 | 96.3 Ų | 96.3 | 56% | 0.557 | 50% | 0.495 | S | S | * | . | trans | -61.3 | 110.4 | 176.2 | -84 | -77.3 | 0 | 0 | 0 | 110.6 | C163 | C163-F165 HydrophobicContact CB-CD2 3.94Å; C163-F165 HydrophobicContact CB-CE2 3.92Å; C163-F165 PolarHBondContact O-N 3.2Å; C163-F165 VanDerWaalsContact O-N 3.12Å | ||
| 166 | N | 25.3 | Very low | 25.5 | Very low | 102 Ų | 102 | 93 Ų | 93 | 55% | 0.545 | 48% | 0.475 | S | S | . | . | trans | -73.9 | 132.1 | 163.3 | -73.6 | -83.7 | 0 | 0 | 0 | 108.3 | F40 S164 | F40-N166 HydrophobicContact CE1-CB 4.24Å; F40-N166 WeakPolarHBondContact CE1-ND2 3.43Å; F40-N166 HydrophobicContact CE2-CB 3.97Å; F40-N166 HydrophobicContact CZ-CB 3.57Å; F40-N166 WeakPolarHBondContact CZ-ND2 3.16Å; S164-N166 PolarHBondContact O-N 3.44Å; S164-N166 PolarHBondContact O-ND2 3.45Å | ||
| 167 | F | 24.6 | Very low | 25.5 | Very low | 175 Ų | 175 | 92.5 Ų | 92.5 | 77% | 0.768 | 46% | 0.463 | S | S | * | . | trans | -77.5 | 127.5 | 169.6 | -74.6 | -104.2 | 0 | 0 | 0 | 108.1 | ||||
| 168 | D | 25.6 | Very low | 25.6 | Very low | 67 Ų | 67 | 89.2 Ų | 89.2 | 36% | 0.358 | 46% | 0.457 | S | S | . | . | trans | 165.9 | 75.2 | 138.1 | -82.8 | -18.5 | 0 | 0 | 0 | 112 | V4 C6 | V4-D168 WeakPolarHBondContact CG1-OD2 3.45Å; C6-D168 WeakPolarHBondContact SG-CB 3.43Å; C6-D168 PolarHBondContact SG-O 2.69Å; C6-D168 VanDerWaalsContact SG-O 3.39Å | ||
| 169 | H | 26.3 | Very low | 25.7 | Very low | 86 Ų | 86 | 85.8 Ų | 85.8 | 40% | 0.398 | 45% | 0.445 | S | S | . | . | trans | -161.5 | 152.8 | 147.6 | -131.1 | -118.6 | 0 | 0 | 0 | 113.4 | Y51 | Y51-H169 AromaticContact CE1-ND1 3.93Å; Y51-H169 AromaticContact CZ-ND1 3.57Å; Y51-H169 WeakPolarHBondContact OH-CB 3.37Å; Y51-H169 VanDerWaalsContact OH-CG 3.26Å; Y51-H169 PolarHBondContact OH-ND1 2.88Å; Y51-H169 VanDerWaalsContact OH-ND1 3.08Å | ||
| 170 | P | 25.4 | Very low | 25.9 | Very low | 73 Ų | 73 | 83.1 Ų | 83.1 | 47% | 0.474 | 43% | 0.432 | S | S | . | . | trans | -113.5 | 45.4 | -166.2 | 42.3 | -33.1 | 0 | 0 | 0 | 115.9 | P1002 | P170-P1002 VanDerWaalsContact C-CG 3.45Å; P170-P1002 WeakPolarHBondContact O-CG 3.39Å | ||
| 171 | Q | 25.8 | Very low | 26.2 | Very low | 67 Ų | 67 | 79.2 Ų | 79.2 | 31% | 0.313 | 41% | 0.408 | S | S | . | . | trans | -146.9 | 95.1 | 178.4 | -65.4 | -178.8 | 2.1 | 0 | 0 | 112.7 | Y51 | Y51-Q171 HydrophobicContact CD1-CB 4.28Å; Y51-Q171 HydrophobicContact CE1-CB 4.14Å | ||
| 172 | F | 26.1 | Very low | 26.3 | Very low | 26 Ų | 26 | 79.1 Ų | 79.1 | 11% | 0.114 | 41% | 0.406 | C | S | . | . | trans | -164.6 | 111.9 | 171.6 | -85 | -51.5 | 0 | 0 | 0 | 115.8 | Y50 Y51 R84 Y1001 P1002 | Y50-F172 AromaticContact CD1-CE2 3.62Å; Y50-F172 HydrophobicContact CD1-CE2 3.62Å; Y50-F172 AromaticContact CD1-CZ 3.4Å; Y50-F172 HydrophobicContact CD1-CZ 3.4Å; Y50-F172 VanDerWaalsContact CD1-CZ 3.4Å; Y50-F172 HydrophobicContact CD2-CE1 4.28Å; Y50-F172 HydrophobicContact CD2-CE2 4.41Å; Y50-F172 AromaticContact CD2-CZ 3.81Å; Y50-F172 HydrophobicContact CD2-CZ 3.81Å; Y50-F172 HydrophobicContact CE1-CD2 4.15Å; Y50-F172 AromaticContact CE1-CE2 3.13Å; Y50-F172 HydrophobicContact CE1-CE2 3.13Å; Y50-F172 AromaticContact CE1-CZ 3.42Å; Y50-F172 HydrophobicContact CE1-CZ 3.42Å; Y50-F172 VanDerWaalsContact CE1-CZ 3.42Å; Y50-F172 HydrophobicContact CE2-CE1 4.3Å; Y50-F172 HydrophobicContact CE2-CE2 4.01Å; Y50-F172 AromaticContact CE2-CZ 3.81Å; Y50-F172 HydrophobicContact CE2-CZ 3.81Å; Y50-F172 HydrophobicContact CG-CE1 4.4Å; Y50-F172 HydrophobicContact CG-CE2 4.23Å; Y50-F172 AromaticContact CG-CZ 3.6Å; Y50-F172 HydrophobicContact CG-CZ 3.6Å; Y50-F172 AromaticContact CZ-CE2 3.34Å; Y50-F172 AromaticContact CZ-CZ 3.61Å; Y50-F172 WeakPolarHBondContact O-CE1 3.45Å; Y50-F172 WeakPolarHBondContact O-CZ 3.23Å; Y51-F172 HydrophobicContact CD1-CE1 4.42Å; Y51-F172 HydrophobicContact CD1-CE2 4.18Å; Y51-F172 AromaticContact CD1-CZ 3.72Å; Y51-F172 HydrophobicContact CD1-CZ 3.72Å; Y51-F172 AromaticContact CE1-CE2 3.57Å; Y51-F172 HydrophobicContact CE1-CE2 3.57Å; Y51-F172 AromaticContact CE1-CZ 3.6Å; Y51-F172 HydrophobicContact CE1-CZ 3.6Å; Y51-F172 HydrophobicContact CG-CZ 4.43Å; R84-F172 HydrophobicContact CG-CE1 4.06Å; R84-F172 VanDerWaalsContact NH2-CD2 3.33Å; F172-Y1001 CarbonylContact O-C 3.56Å; F172-P1002 CarbonylContact C-O 3.5Å; F172-P1002 VanDerWaalsContact CA-O 3.28Å; F172-P1002 WeakPolarHBondContact CA-O 3.48Å; F172-P1002 VanDerWaalsContact N-CD 3.33Å; F172-P1002 PolarHBondContact N-O 3.16Å; F172-P1002 CarbonylContact O-C 3.54Å | ||
| 173 | P | 25.4 | Very low | 26.6 | Very low | 55 Ų | 55 | 76.9 Ų | 76.9 | 36% | 0.357 | 40% | 0.398 | S | S | . | . | trans | -69.9 | -178.4 | -177 | -20.7 | 32.1 | 0 | 0 | 0 | 117.1 | P1002 H1004 | P173-P1002 VanDerWaalsContact N-O 3.15Å; P173-H1004 WeakPolarHBondContact CG-CD2 3.47Å | ||
| 174 | R | 24.1 | Very low | 26.7 | Very low | 55 Ų | 55 | 85 Ų | 85 | 21% | 0.208 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -80.6 | 122.5 | -172.7 | -62.2 | 168.7 | 171.5 | 152.2 | -8.5 | 112.9 | H268 S270 Y1001 | R174-H268 VanDerWaalsContact NH1-C 3.32Å; R174-H268 PolarHBondContact NH1-O 3.41Å; R174-S270 PolarHBondContact NH2-O 2.98Å; R174-Y1001 HydrophobicContact CG-CE1 4.33Å; R174-Y1001 PolarHBondContact NH2-OH 2.81Å |
| 175 | E | 27 | Very low | 27 | Very low | 66 Ų | 66 | 83.2 Ų | 83.2 | 31% | 0.308 | 40% | 0.404 | S | S | . | . | trans | -159.3 | -4.6 | 148.8 | -117.1 | 150.4 | -150.5 | 0 | 0 | 114.9 | H117 I177 | H117-E175 IonicContact CE1-OE2 3.45Å; H117-E175 IonicContact CG-OE2 3.55Å; H117-E175 IonicContact ND1-OE2 3.6Å; H117-E175 PolarHBondContact ND1-OE2 3.5Å; E175-I177 PolarHBondContact O-N 3.04Å | ||
| 176 | F | 26 | Very low | 27 | Very low | 72 Ų | 72 | 80.7 Ų | 80.7 | 32% | 0.316 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | 24.6 | -167.2 | -106.9 | -86.7 | 0 | 0 | 0 | 118.3 | F83 F179 | F83-F176 HydrophobicContact CD1-CE2 4.29Å; F83-F176 HydrophobicContact CD2-CE2 4.29Å; F83-F176 AromaticContact CD2-CZ 3.96Å; F83-F176 HydrophobicContact CD2-CZ 3.96Å; F83-F176 AromaticContact CE1-CE2 3.73Å; F83-F176 HydrophobicContact CE1-CE2 3.73Å; F83-F176 HydrophobicContact CE1-CZ 4.08Å; F83-F176 HydrophobicContact CE2-CE1 4.16Å; F83-F176 AromaticContact CE2-CE2 3.76Å; F83-F176 HydrophobicContact CE2-CE2 3.76Å; F83-F176 AromaticContact CE2-CZ 3.24Å; F83-F176 HydrophobicContact CE2-CZ 3.24Å; F83-F176 HydrophobicContact CZ-CD2 4.41Å; F83-F176 HydrophobicContact CZ-CE1 4.14Å; F83-F176 AromaticContact CZ-CE2 3.43Å; F83-F176 HydrophobicContact CZ-CE2 3.43Å; F83-F176 VanDerWaalsContact CZ-CE2 3.43Å; F83-F176 AromaticContact CZ-CZ 3.3Å; F83-F176 HydrophobicContact CZ-CZ 3.3Å; F176-F179 HydrophobicContact CD1-CB 4.18Å; F176-F179 HydrophobicContact CE1-CB 3.88Å |
| 177 | I | 26.6 | Very low | 27 | Very low | 87 Ų | 87 | 79.3 Ų | 79.3 | 45% | 0.446 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -18.4 | -179.9 | -62 | -179.3 | 0 | 0 | 0 | 111.9 | E175 | E175-I177 PolarHBondContact O-N 3.04Š|
| 178 | S | 27.4 | Very low | 27.2 | Very low | 62 Ų | 62 | 75.7 Ų | 75.7 | 43% | 0.434 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -79.2 | -19 | -179.9 | 47.7 | 0 | 0 | 0 | 0 | 115.3 | ||
| 179 | F | 28.1 | Very low | 27.4 | Very low | 93 Ų | 93 | 79 Ų | 79 | 41% | 0.408 | 41% | 0.413 | S | S | . | . | trans | -110.5 | 9.8 | -163.8 | -98 | -104 | 0 | 0 | 0 | 117.8 | M108 A116 F176 P181 | M108-F179 HydrophobicContact SD-CE1 4.28Å; A116-F179 HydrophobicContact CB-CD2 3.89Å; A116-F179 HydrophobicContact CB-CE2 3.23Å; A116-F179 HydrophobicContact CB-CZ 3.73Å; F176-F179 HydrophobicContact CD1-CB 4.18Å; F176-F179 HydrophobicContact CE1-CB 3.88Å; F179-P181 WeakPolarHBondContact O-CD 3.19Å | ||
| 180 | I | 30 | Very low | 27.7 | Very low | 57 Ų | 57 | 80.9 Ų | 80.9 | 29% | 0.292 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -70.7 | 125.8 | 152.7 | -53.2 | 179.8 | 0 | 0 | 0 | 106.1 | V182 I263 | I180-V182 HydrophobicContact CB-CG2 4.36Å; I180-V182 HydrophobicContact CG2-CG2 3.88Å; I180-V182 PolarHBondContact O-N 2.98Å; I180-I263 HydrophobicContact CD1-CD1 3.87Å; I180-I263 HydrophobicContact CD1-CG1 4.24Å |
| 181 | P | 29 | Very low | 27.6 | Very low | 34 Ų | 34 | 84.1 Ų | 84.1 | 22% | 0.221 | 44% | 0.436 | C | S | . | . | trans | -75.3 | 56.2 | -177.8 | 31.4 | -36.4 | 0 | 0 | 0 | 112.6 | F179 H183 Q210 | F179-P181 WeakPolarHBondContact O-CD 3.19Å; P181-H183 PolarHBondContact O-N 3.16Å; P181-Q210 WeakPolarHBondContact O-CB 3.46Å | ||
| 182 | V | 30.2 | Very low | 27.6 | Very low | 53 Ų | 53 | 87.5 Ų | 87.5 | 32% | 0.321 | 45% | 0.453 | S | S | . | . | trans | -72.2 | 65.7 | 160.2 | 178.5 | 0 | 0 | 0 | 0 | 107.3 | I180 R184 K209 Q210 | I180-V182 HydrophobicContact CB-CG2 4.36Å; I180-V182 HydrophobicContact CG2-CG2 3.88Å; I180-V182 PolarHBondContact O-N 2.98Å; V182-R184 PolarHBondContact O-N 3.31Å; V182-K209 HydrophobicContact CG1-CB 3.91Å; V182-K209 HydrophobicContact CG1-CD 3.48Å; V182-K209 VanDerWaalsContact CG1-CD 3.48Å; V182-K209 HydrophobicContact CG1-CG 3.59Å; V182-K209 HydrophobicContact CG2-CD 4.46Å; V182-Q210 WeakPolarHBondContact CA-O 3.35Å; V182-Q210 WeakPolarHBondContact CG2-O 3.43Å | ||
| 183 | H | 27.9 | Very low | 27.4 | Very low | 113 Ų | 113 | 92.1 Ų | 92.1 | 52% | 0.523 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 132.6 | 168.2 | -76.7 | -69.3 | 0 | 0 | 0 | 108.7 | P181 V185 | P181-H183 PolarHBondContact O-N 3.16Å; H183-V185 PolarHBondContact O-N 3.15Å |
| 184 | R | 28.5 | Very low | 27.4 | Very low | 241 Ų | 241 | 93 Ų | 93 | 91% | 0.909 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 121.8 | 158.7 | -73.9 | -173.8 | 179.5 | -174.4 | 0.9 | 106.6 | V182 | V182-R184 PolarHBondContact O-N 3.31Š|
| 185 | V | 31 | Very low | 27.5 | Very low | 36 Ų | 36 | 96.4 Ų | 96.4 | 22% | 0.218 | 50% | 0.504 | C | S | . | . | P | Polyproline II helix | trans | -52.4 | 126.2 | 173.2 | 171.9 | 0 | 0 | 0 | 0 | 108.2 | H183 E189 Q190 | H183-V185 PolarHBondContact O-N 3.15Å; V185-E189 HydrophobicContact CG1-CB 3.43Å; V185-E189 VanDerWaalsContact CG1-CB 3.43Å; V185-E189 HydrophobicContact CG1-CG 4.48Å; V185-E189 WeakPolarHBondContact CG1-OE2 3.35Å; V185-Q190 PolarHBondContact O-NE2 3.06Å; V185-Q190 VanDerWaalsContact O-NE2 3.17Å |
| 186 | P | 26.5 | Very low | 27.3 | Very low | 75 Ų | 75 | 99 Ų | 99 | 49% | 0.487 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -52.6 | 146.6 | -179.6 | -27 | 35.1 | 0 | 0 | 0 | 111.5 | S188 E189 | P186-S188 PolarHBondContact O-N 2.66Å; P186-E189 PolarHBondContact O-N 3.37Å |
| 187 | A | 26.1 | Very low | 27.3 | Very low | 73 Ų | 73 | 106.2 Ų | 106.2 | 60% | 0.603 | 56% | 0.555 | S | S | * | * | G | 310 helix | trans | -53.9 | -32.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | E189 Q190 | A187-E189 PolarHBondContact O-N 3.46Å; A187-Q190 VanDerWaalsContact O-CB 3.28Å; A187-Q190 WeakPolarHBondContact O-CB 3.34Å; A187-Q190 WeakPolarHBondContact O-CG 3.22Å; A187-Q190 PolarHBondContact O-N 3.38Å |
| 188 | S | 27.9 | Very low | 27.3 | Very low | 99 Ų | 99 | 104 Ų | 104 | 69% | 0.692 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -69.4 | -7.1 | 177.2 | 56.2 | 0 | 0 | 0 | 0 | 116.1 | P186 | P186-S188 PolarHBondContact O-N 2.66Š|
| 189 | E | 30.8 | Very low | 27.6 | Very low | 135 Ų | 135 | 105.1 Ų | 105.1 | 63% | 0.631 | 55% | 0.545 | S | S | * | . | G | 310 helix | trans | -102.4 | 6.2 | 169.6 | -82.6 | -172.8 | 172.3 | 0 | 0 | 112.2 | V185 P186 A187 | V185-E189 HydrophobicContact CG1-CB 3.43Å; V185-E189 VanDerWaalsContact CG1-CB 3.43Å; V185-E189 HydrophobicContact CG1-CG 4.48Å; V185-E189 WeakPolarHBondContact CG1-OE2 3.35Å; P186-E189 PolarHBondContact O-N 3.37Å; A187-E189 PolarHBondContact O-N 3.46Å |
| 190 | Q | 31 | Very low | 27.6 | Very low | 126 Ų | 126 | 107.7 Ų | 107.7 | 59% | 0.589 | 56% | 0.556 | S | S | * | * | trans | -89.5 | -13.2 | 179.9 | -56.6 | 178.9 | 9.1 | 0 | 0 | 112.8 | V185 A187 M192 | V185-Q190 PolarHBondContact O-NE2 3.06Å; V185-Q190 VanDerWaalsContact O-NE2 3.17Å; A187-Q190 VanDerWaalsContact O-CB 3.28Å; A187-Q190 WeakPolarHBondContact O-CB 3.34Å; A187-Q190 WeakPolarHBondContact O-CG 3.22Å; A187-Q190 PolarHBondContact O-N 3.38Å; Q190-M192 PolarHBondContact O-N 3.09Å | ||
| 191 | D | 25.2 | Very low | 28.2 | Very low | 142 Ų | 142 | 106.4 Ų | 106.4 | 76% | 0.759 | 56% | 0.557 | S | S | * | * | trans | -79.5 | 29.8 | -175.6 | -63.7 | -44.3 | 0 | 0 | 0 | 115 | ||||
| 192 | M | 25.1 | Very low | 29.3 | Very low | 138 Ų | 138 | 109.1 Ų | 109.1 | 68% | 0.68 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -120.4 | 113.7 | 164.2 | -88.5 | -92 | -77.3 | 0 | 0 | 107.6 | Q190 I194 | Q190-M192 PolarHBondContact O-N 3.09Å; M192-I194 VanDerWaalsContact C-N 3.3Å; M192-I194 PolarHBondContact O-N 3.13Å |
| 193 | P | 22.2 | Very low | 30.6 | Very low | 123 Ų | 123 | 107.6 Ų | 107.6 | 80% | 0.799 | 56% | 0.556 | S | S | * | * | trans | -75.2 | 74.6 | -162.7 | 29.7 | -36.8 | 0 | 0 | 0 | 113.8 | ||||
| 194 | I | 25.3 | Very low | 32.4 | Very low | 72 Ų | 72 | 103.2 Ų | 103.2 | 37% | 0.369 | 54% | 0.536 | S | S | . | . | S | Bend | trans | -97 | 84.1 | 163.2 | -55 | 177.5 | 0 | 0 | 0 | 106.3 | M192 S196 L198 | M192-I194 VanDerWaalsContact C-N 3.3Å; M192-I194 PolarHBondContact O-N 3.13Å; I194-S196 PolarHBondContact O-N 3.38Å; I194-L198 HydrophobicContact CG2-CD2 4.02Å; I194-L198 HydrophobicContact CG2-CG 4.44Å |
| 195 | H | 25.2 | Very low | 34.2 | Very low | 127 Ų | 127 | 92.9 Ų | 92.9 | 59% | 0.588 | 50% | 0.498 | S | S | * | . | trans | -0.4 | 110.8 | -176.6 | -72.5 | -92.9 | 0 | 0 | 0 | 116.4 | R197 L198 | H195-R197 CarbonylContact O-C 3.54Å; H195-R197 PolarHBondContact O-N 2.85Å; H195-L198 PolarHBondContact O-N 2.88Å | ||
| 196 | S | 24.5 | Very low | 36 | Very low | 120 Ų | 120 | 94.1 Ų | 94.1 | 84% | 0.839 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -50.7 | 121.7 | 162.2 | 37.8 | 0 | 0 | 0 | 0 | 109.4 | I194 | I194-S196 PolarHBondContact O-N 3.38Š|
| 197 | R | 24.3 | Very low | 37.9 | Very low | 224 Ų | 224 | 95 Ų | 95 | 85% | 0.845 | 49% | 0.494 | S | S | * | . | S | Bend | trans | 64.9 | 76.4 | -155.6 | -51.6 | 173.4 | 177.8 | 166.6 | -1.4 | 112.1 | H195 N199 | H195-R197 CarbonylContact O-C 3.54Å; H195-R197 PolarHBondContact O-N 2.85Å; R197-N199 PolarHBondContact O-N 2.96Å; R197-N199 VanDerWaalsContact O-N 3.16Å |
| 198 | L | 28.3 | Very low | 39.8 | Very low | 40 Ų | 40 | 93.7 Ų | 93.7 | 21% | 0.209 | 48% | 0.479 | C | S | . | . | trans | -50.8 | 122.5 | 151.6 | -83.2 | 167.7 | 0 | 0 | 0 | 106.6 | I194 H195 E294 | I194-L198 HydrophobicContact CG2-CD2 4.02Å; I194-L198 HydrophobicContact CG2-CG 4.44Å; H195-L198 PolarHBondContact O-N 2.88Å; L198-E294 WeakPolarHBondContact CD2-OE2 3.15Å | ||
| 199 | N | 32.1 | Very low | 41.7 | Very low | 87 Ų | 87 | 91.2 Ų | 91.2 | 47% | 0.465 | 46% | 0.456 | S | S | . | . | trans | -22.5 | 133.8 | -159.5 | -57.4 | -0.7 | 0 | 0 | 0 | 115.8 | R197 G201 | R197-N199 PolarHBondContact O-N 2.96Å; R197-N199 VanDerWaalsContact O-N 3.16Å; N199-G201 PolarHBondContact O-N 3.33Å | ||
| 200 | K | 29.6 | Very low | 43.2 | Very low | 146 Ų | 146 | 87.4 Ų | 87.4 | 64% | 0.635 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62 | 77.8 | 148.3 | -84.9 | -160.4 | 177.4 | -162.6 | 0 | 107.4 | E202 | K200-E202 PolarHBondContact O-N 3.25Å |
| 201 | G | 40.8 | Very low | 44.2 | Very low | 31 Ų | 31 | 83 Ų | 83 | 32% | 0.32 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 128.6 | 160.6 | 0 | 0 | 0 | 0 | 0 | 106.3 | N199 F203 F204 | N199-G201 PolarHBondContact O-N 3.33Å; G201-F203 PolarHBondContact O-N 3.1Å; G201-F204 PolarHBondContact O-N 3.08Å |
| 202 | E | 52.4 | Low | 45.6 | Very low | 91 Ų | 91 | 80.5 Ų | 80.5 | 43% | 0.425 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -28.1 | -161.4 | -68.7 | 161.9 | -150.3 | 0 | 0 | 113.8 | K200 M225 P419 | K200-E202 PolarHBondContact O-N 3.25Å; E202-M225 WeakPolarHBondContact O-CB 3.4Å; E202-M225 VanDerWaalsContact O-CG 3.3Å; E202-M225 WeakPolarHBondContact O-CG 3.48Å; E202-P419 VanDerWaalsContact OE2-CD 3.26Å; E202-P419 WeakPolarHBondContact OE2-CD 3.21Å; E202-P419 VanDerWaalsContact OE2-CG 3.28Å; E202-P419 WeakPolarHBondContact OE2-CG 3.46Å |
| 203 | F | 59.1 | Low | 46.9 | Very low | 21 Ų | 21 | 75.5 Ų | 75.5 | 9% | 0.092 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | -24.3 | -176.8 | -57.4 | -89.3 | 0 | 0 | 0 | 114.7 | G201 L221 N222 F229 M237 L418 | G201-F203 PolarHBondContact O-N 3.1Å; F203-L221 WeakPolarHBondContact O-CD2 3.37Å; F203-N222 PolarHBondContact O-N 2.86Å; F203-F229 AromaticContact CD1-CE2 3.65Å; F203-F229 HydrophobicContact CD1-CE2 3.65Å; F203-F229 AromaticContact CD1-CZ 3.72Å; F203-F229 HydrophobicContact CD1-CZ 3.72Å; F203-F229 HydrophobicContact CE1-CE1 4.12Å; F203-F229 AromaticContact CE1-CE2 3.53Å; F203-F229 HydrophobicContact CE1-CE2 3.53Å; F203-F229 AromaticContact CE1-CZ 3.2Å; F203-F229 HydrophobicContact CE1-CZ 3.2Å; F203-F229 AromaticContact CZ-CZ 3.92Å; F203-F229 HydrophobicContact CZ-CZ 3.92Å; F203-M237 HydrophobicContact CB-CE 3.85Å; F203-M237 HydrophobicContact CB-SD 4.36Å; F203-M237 HydrophobicContact CD1-CE 3.77Å; F203-M237 HydrophobicContact CD1-CG 4.18Å; F203-M237 HydrophobicContact CD1-SD 3.29Å; F203-M237 WeakPolarHBondContact CD1-SD 3.31Å; F203-M237 HydrophobicContact CE1-CG 4.45Å; F203-M237 HydrophobicContact CE1-SD 3.84Å; F203-M237 HydrophobicContact CG-CE 4.19Å; F203-M237 HydrophobicContact CG-SD 4.05Å; F203-L418 HydrophobicContact CD1-CD2 4.35Å; F203-L418 HydrophobicContact CD2-CD2 3.49Å; F203-L418 VanDerWaalsContact CD2-CD2 3.49Å; F203-L418 HydrophobicContact CD2-CG 4.15Å; F203-L418 HydrophobicContact CE1-CD2 4.27Å; F203-L418 HydrophobicContact CE1-CG 4.09Å; F203-L418 HydrophobicContact CE2-CB 4.08Å; F203-L418 HydrophobicContact CE2-CD2 3.48Å; F203-L418 VanDerWaalsContact CE2-CD2 3.48Å; F203-L418 HydrophobicContact CE2-CG 3.62Å; F203-L418 HydrophobicContact CG-CD2 3.98Å; F203-L418 HydrophobicContact CZ-CB 4.22Å; F203-L418 HydrophobicContact CZ-CD2 3.89Å; F203-L418 HydrophobicContact CZ-CG 3.58Å |
| 204 | F | 64.5 | Low | 48.5 | Very low | 21 Ų | 21 | 70.6 Ų | 70.6 | 9% | 0.092 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 122.3 | -172.6 | -75.1 | -81.9 | 0 | 0 | 0 | 113.1 | G201 R206 N219 Q220 L221 I241 | G201-F204 PolarHBondContact O-N 3.08Å; F204-R206 PolarHBondContact O-N 3.09Å; F204-N219 HydrophobicContact CD1-CB 3.93Å; F204-N219 HydrophobicContact CE1-CB 4.41Å; F204-N219 HydrophobicContact CG-CB 4.49Å; F204-Q220 CarbonylContact C-O 3.07Å; F204-Q220 WeakPolarHBondContact CA-O 3.15Å; F204-L221 HydrophobicContact CD1-CD2 3.76Å; F204-L221 HydrophobicContact CD1-CG 4.24Å; F204-L221 HydrophobicContact CD2-CD2 4.41Å; F204-L221 HydrophobicContact CE1-CD2 3.47Å; F204-L221 VanDerWaalsContact CE1-CD2 3.47Å; F204-L221 HydrophobicContact CE1-CG 3.87Å; F204-L221 HydrophobicContact CE2-CD2 4.16Å; F204-L221 HydrophobicContact CG-CD2 4.24Å; F204-L221 HydrophobicContact CZ-CD2 3.7Å; F204-L221 HydrophobicContact CZ-CG 4.46Å; F204-I241 HydrophobicContact CZ-CG1 4.27Å |
| 205 | N | 65.7 | Low | 50.5 | Low | 24 Ų | 24 | 68.8 Ų | 68.8 | 13% | 0.128 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 114.3 | 165.4 | -69.9 | -47.9 | 0 | 0 | 0 | 109.7 | Y207 Q220 N222 | N205-Y207 HydrophobicContact CB-CD2 4.41Å; N205-Y207 HydrophobicContact CB-CE2 3.56Å; N205-Y207 WeakPolarHBondContact O-CD2 3.36Å; N205-Q220 PolarHBondContact N-O 3.4Å; N205-Q220 PolarHBondContact O-N 3.14Å; N205-N222 PolarHBondContact ND2-OD1 3.1Å |
| 206 | R | 69 | Low | 53 | Low | 62 Ų | 62 | 62.9 Ų | 62.9 | 23% | 0.234 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 115.4 | -176.8 | -63.1 | -171.6 | 175.3 | -158.9 | -8.2 | 111.2 | F204 L217 Y338 | F204-R206 PolarHBondContact O-N 3.09Å; R206-L217 HydrophobicContact CB-CD1 4.22Å; R206-Y338 PolarHBondContact NH1-OH 2.96Å; R206-Y338 VanDerWaalsContact NH1-OH 3.11Å; R206-Y338 PolarHBondContact NH2-OH 3.2Å |
| 207 | Y | 66.6 | Low | 55.6 | Low | 94 Ų | 94 | 57.6 Ų | 57.6 | 37% | 0.369 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 130 | -178.1 | -57.8 | -78.4 | 0 | 0 | 0 | 112.4 | N205 K209 L218 Q220 | N205-Y207 HydrophobicContact CB-CD2 4.41Å; N205-Y207 HydrophobicContact CB-CE2 3.56Å; N205-Y207 WeakPolarHBondContact O-CD2 3.36Å; Y207-K209 PolarHBondContact O-N 3.2Å; Y207-L218 HydrophobicContact CD2-CD2 3.9Å; Y207-L218 PolarHBondContact N-O 3.14Å; Y207-L218 PolarHBondContact O-N 2.89Å; Y207-Q220 HydrophobicContact CD2-CB 4.33Å; Y207-Q220 HydrophobicContact CE2-CB 4.05Å |
| 208 | C | 65.8 | Low | 58.2 | Low | 44 Ų | 44 | 47.2 Ų | 47.2 | 30% | 0.297 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 119.1 | 161.3 | -66.1 | 0 | 0 | 0 | 0 | 109.4 | V216 R286 | C208-V216 WeakPolarHBondContact CA-O 3.25Å; C208-R286 VanDerWaalsContact SG-CZ 3.58Å; C208-R286 PolarHBondContact SG-NE 3.5Å; C208-R286 VanDerWaalsContact SG-NE 3.43Å |
| 209 | K | 68.4 | Low | 60.6 | Low | 47 Ų | 47 | 45.5 Ų | 45.5 | 20% | 0.204 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 176.2 | -175.5 | -76.9 | 176.2 | 166.1 | 177 | 0 | 110.2 | V182 Y207 S215 V216 L218 | V182-K209 HydrophobicContact CG1-CB 3.91Å; V182-K209 HydrophobicContact CG1-CD 3.48Å; V182-K209 VanDerWaalsContact CG1-CD 3.48Å; V182-K209 HydrophobicContact CG1-CG 3.59Å; V182-K209 HydrophobicContact CG2-CD 4.46Å; Y207-K209 PolarHBondContact O-N 3.2Å; K209-S215 CarbonylContact O-C 3.19Å; K209-S215 VanDerWaalsContact O-CA 3.3Å; K209-S215 WeakPolarHBondContact O-CA 3.43Å; K209-S215 PolarHBondContact O-OG 3Å; K209-V216 HydrophobicContact CB-CG2 4.28Å; K209-V216 PolarHBondContact N-O 3.01Å; K209-V216 PolarHBondContact O-N 2.97Å; K209-L218 HydrophobicContact CD-CB 3.98Å; K209-L218 HydrophobicContact CD-CD1 3.79Å; K209-L218 HydrophobicContact CD-CD2 4.12Å; K209-L218 HydrophobicContact CD-CG 4.19Å |
| 210 | Q | 62.2 | Low | 62.6 | Low | 55 Ų | 55 | 43.6 Ų | 43.6 | 26% | 0.257 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 144.4 | 167.9 | -69.4 | -170.7 | 6.1 | 0 | 0 | 110.4 | P181 V182 I214 | P181-Q210 WeakPolarHBondContact O-CB 3.46Å; V182-Q210 WeakPolarHBondContact CA-O 3.35Å; V182-Q210 WeakPolarHBondContact CG2-O 3.43Å; Q210-I214 CarbonylContact C-O 3.57Å; Q210-I214 WeakPolarHBondContact CA-O 3.47Å |
| 211 | W | 52.4 | Low | 64.5 | Low | 33 Ų | 33 | 36.7 Ų | 36.7 | 13% | 0.125 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 117.7 | 175.8 | -172.6 | 74.2 | 0 | 0 | 0 | 107.3 | G213 I214 V216 L260 A261 V283 | W211-G213 PolarHBondContact O-N 3.27Å; W211-G213 VanDerWaalsContact O-N 3.14Å; W211-I214 PolarHBondContact N-O 3.37Å; W211-I214 PolarHBondContact O-N 2.75Å; W211-V216 HydrophobicContact CB-CB 4.41Å; W211-V216 HydrophobicContact CB-CG1 3.79Å; W211-V216 HydrophobicContact CB-CG2 3.72Å; W211-L260 HydrophobicContact CE3-CB 4.34Å; W211-L260 HydrophobicContact CE3-CD1 4.46Å; W211-L260 HydrophobicContact CH2-CB 4.27Å; W211-L260 HydrophobicContact CZ3-CB 3.88Å; W211-A261 HydrophobicContact CH2-CB 4.17Å; W211-A261 HydrophobicContact CZ2-CB 3.57Å; W211-V283 HydrophobicContact CG-CG1 4.5Å |
| 212 | F | 54.9 | Low | 65.9 | Low | 91 Ų | 91 | 35.4 Ų | 35.4 | 40% | 0.399 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.8 | 38.9 | -172.3 | -58.1 | -51.8 | 0 | 0 | 0 | 114.5 | P161 I214 | P161-F212 HydrophobicContact CB-CD1 3.74Å; P161-F212 HydrophobicContact CB-CE1 4.1Å; P161-F212 HydrophobicContact CG-CB 3.82Å; P161-F212 HydrophobicContact CG-CD1 3.48Å; P161-F212 VanDerWaalsContact CG-CD1 3.48Å; P161-F212 HydrophobicContact CG-CE1 4.28Å; P161-F212 HydrophobicContact CG-CG 3.87Å; F212-I214 VanDerWaalsContact C-N 3.27Å; F212-I214 PolarHBondContact O-N 3.32Å |
| 213 | G | 52.7 | Low | 66.6 | Low | 33 Ų | 33 | 33.2 Ų | 33.2 | 34% | 0.34 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75 | 7.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | W211 | W211-G213 PolarHBondContact O-N 3.27Å; W211-G213 VanDerWaalsContact O-N 3.14Å |
| 214 | I | 54.3 | Low | 66.9 | Low | 20 Ų | 20 | 36.9 Ų | 36.9 | 10% | 0.103 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 140.5 | 173 | -58.4 | 177.6 | 0 | 0 | 0 | 108.2 | Q210 W211 F212 R937 L941 | Q210-I214 CarbonylContact C-O 3.57Å; Q210-I214 WeakPolarHBondContact CA-O 3.47Å; W211-I214 PolarHBondContact N-O 3.37Å; W211-I214 PolarHBondContact O-N 2.75Å; F212-I214 VanDerWaalsContact C-N 3.27Å; F212-I214 PolarHBondContact O-N 3.32Å; I214-R937 HydrophobicContact CD1-CB 3.98Å; I214-R937 HydrophobicContact CG1-CB 4.29Å; I214-L941 HydrophobicContact CD1-CD1 3.39Å; I214-L941 HydrophobicContact CD1-CG 4.34Å |
| 215 | S | 68.4 | Low | 66.8 | Low | 34 Ų | 34 | 39 Ų | 39 | 24% | 0.238 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 130.8 | 174 | -164.2 | 0 | 0 | 0 | 0 | 110.9 | K209 R286 | K209-S215 CarbonylContact O-C 3.19Å; K209-S215 VanDerWaalsContact O-CA 3.3Å; K209-S215 WeakPolarHBondContact O-CA 3.43Å; K209-S215 PolarHBondContact O-OG 3Å; S215-R286 VanDerWaalsContact O-CB 3.26Å; S215-R286 WeakPolarHBondContact O-CB 3.48Å; S215-R286 WeakPolarHBondContact OG-CD 3.44Å; S215-R286 PolarHBondContact OG-NH1 2.81Å |
| 216 | V | 76.3 | Confident | 66.7 | Low | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.012 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 156.3 | -174.9 | -65.7 | 0 | 0 | 0 | 0 | 110.9 | C208 K209 W211 L260 V283 Y284 | C208-V216 WeakPolarHBondContact CA-O 3.25Å; K209-V216 HydrophobicContact CB-CG2 4.28Å; K209-V216 PolarHBondContact N-O 3.01Å; K209-V216 PolarHBondContact O-N 2.97Å; W211-V216 HydrophobicContact CB-CB 4.41Å; W211-V216 HydrophobicContact CB-CG1 3.79Å; W211-V216 HydrophobicContact CB-CG2 3.72Å; V216-L260 HydrophobicContact CG1-CD1 3.61Å; V216-V283 HydrophobicContact CB-CG1 3.78Å; V216-V283 HydrophobicContact CG1-CG1 4.03Å; V216-V283 HydrophobicContact CG2-CG1 3.78Å; V216-Y284 WeakPolarHBondContact CA-O 3.45Å; V216-Y284 WeakPolarHBondContact CB-O 3.17Å |
| 217 | L | 80.6 | Confident | 66.5 | Low | 9 Ų | 9 | 41.5 Ų | 41.5 | 5% | 0.047 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 117.8 | 166.9 | 173.4 | 64.4 | 0 | 0 | 0 | 107.9 | R206 Y284 P287 Y338 | R206-L217 HydrophobicContact CB-CD1 4.22Å; L217-Y284 PolarHBondContact N-O 2.86Å; L217-Y284 PolarHBondContact O-N 2.74Å; L217-P287 HydrophobicContact CD2-CG 4.37Å; L217-Y338 HydrophobicContact CD2-CE1 4.28Å |
| 218 | L | 78.9 | Confident | 66.4 | Low | 7 Ų | 7 | 41.1 Ų | 41.1 | 4% | 0.037 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 112 | 176.8 | -178.4 | 149.6 | 0 | 0 | 0 | 108.8 | Y207 K209 Q220 I263 A281 L282 V283 | Y207-L218 HydrophobicContact CD2-CD2 3.9Å; Y207-L218 PolarHBondContact N-O 3.14Å; Y207-L218 PolarHBondContact O-N 2.89Å; K209-L218 HydrophobicContact CD-CB 3.98Å; K209-L218 HydrophobicContact CD-CD1 3.79Å; K209-L218 HydrophobicContact CD-CD2 4.12Å; K209-L218 HydrophobicContact CD-CG 4.19Å; L218-Q220 HydrophobicContact CD2-CB 3.77Å; L218-I263 HydrophobicContact CD1-CD1 3.91Å; L218-A281 HydrophobicContact CD1-CB 4.35Å; L218-A281 HydrophobicContact CD2-CB 3.83Å; L218-A281 HydrophobicContact CG-CB 4.03Å; L218-L282 CarbonylContact C-O 3.56Å; L218-L282 WeakPolarHBondContact CA-O 3.33Å; L218-V283 HydrophobicContact CD1-CG2 4.16Å; L218-V283 HydrophobicContact CG-CG2 4.5Å |
| 219 | N | 77.7 | Confident | 66.3 | Low | 4 Ų | 4 | 40.7 Ų | 40.7 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 101.1 | 173.2 | -66.7 | -3.2 | 0 | 0 | 0 | 107.6 | F204 A281 L282 | F204-N219 HydrophobicContact CD1-CB 3.93Å; F204-N219 HydrophobicContact CE1-CB 4.41Å; F204-N219 HydrophobicContact CG-CB 4.49Å; N219-A281 CarbonylContact O-C 3.57Å; N219-A281 VanDerWaalsContact O-CA 3.29Å; N219-A281 WeakPolarHBondContact O-CA 3.45Å; N219-L282 HydrophobicContact CB-CB 4.47Å; N219-L282 PolarHBondContact N-O 3.36Å; N219-L282 PolarHBondContact O-N 3.35Å |
| 220 | Q | 74.2 | Confident | 66.2 | Low | 47 Ų | 47 | 41.9 Ų | 41.9 | 22% | 0.22 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 139.1 | 173.3 | -175.4 | 173.7 | -16.5 | 0 | 0 | 108.7 | F204 N205 Y207 L218 A281 | F204-Q220 CarbonylContact C-O 3.07Å; F204-Q220 WeakPolarHBondContact CA-O 3.15Å; N205-Q220 PolarHBondContact N-O 3.4Å; N205-Q220 PolarHBondContact O-N 3.14Å; Y207-Q220 HydrophobicContact CD2-CB 4.33Å; Y207-Q220 HydrophobicContact CE2-CB 4.05Å; L218-Q220 HydrophobicContact CD2-CB 3.77Å; Q220-A281 HydrophobicContact CB-CB 3.95Å; Q220-A281 HydrophobicContact CG-CB 4.16Å |
| 221 | L | 70.7 | Confident | 66.3 | Low | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 147.2 | 173.1 | -83.5 | 180 | 0 | 0 | 0 | 111.8 | F203 F204 S223 I226 M237 I241 P277 L280 | F203-L221 WeakPolarHBondContact O-CD2 3.37Å; F204-L221 HydrophobicContact CD1-CD2 3.76Å; F204-L221 HydrophobicContact CD1-CG 4.24Å; F204-L221 HydrophobicContact CD2-CD2 4.41Å; F204-L221 HydrophobicContact CE1-CD2 3.47Å; F204-L221 VanDerWaalsContact CE1-CD2 3.47Å; F204-L221 HydrophobicContact CE1-CG 3.87Å; F204-L221 HydrophobicContact CE2-CD2 4.16Å; F204-L221 HydrophobicContact CG-CD2 4.24Å; F204-L221 HydrophobicContact CZ-CD2 3.7Å; F204-L221 HydrophobicContact CZ-CG 4.46Å; L221-S223 PolarHBondContact O-N 3.07Å; L221-I226 HydrophobicContact CB-CD1 3.71Å; L221-I226 HydrophobicContact CD1-CD1 3.65Å; L221-I226 HydrophobicContact CD2-CD1 4.17Å; L221-I226 HydrophobicContact CG-CD1 4.05Å; L221-M237 HydrophobicContact CD2-CE 3.69Å; L221-I241 HydrophobicContact CD1-CD1 3.44Å; L221-I241 VanDerWaalsContact CD1-CD1 3.44Å; L221-I241 HydrophobicContact CD2-CD1 4.02Å; L221-I241 HydrophobicContact CG-CD1 4.14Å; L221-P277 HydrophobicContact CD1-CB 3.71Å; L221-P277 WeakPolarHBondContact CD1-O 3.06Å; L221-L280 PolarHBondContact N-O 2.94Å |
| 222 | N | 69.5 | Low | 66.8 | Low | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | trans | -87.8 | 97.7 | -178.4 | -168.9 | 20.5 | 0 | 0 | 0 | 111 | F203 N205 D224 M225 I226 | F203-N222 PolarHBondContact O-N 2.86Å; N205-N222 PolarHBondContact ND2-OD1 3.1Å; N222-D224 VanDerWaalsContact C-N 3.27Å; N222-D224 PolarHBondContact O-N 2.91Å; N222-M225 HydrophobicContact CB-CB 4.41Å; N222-M225 WeakPolarHBondContact ND2-CG 3.31Å; N222-M225 PolarHBondContact O-N 3.39Å; N222-I226 PolarHBondContact O-N 3.22Å | ||
| 223 | S | 66.9 | Low | 67.1 | Low | 44 Ų | 44 | 46 Ų | 46 | 31% | 0.308 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -45.2 | -50 | 179.7 | 39.1 | 0 | 0 | 0 | 0 | 113 | L221 M225 I226 Q227 | L221-S223 PolarHBondContact O-N 3.07Å; S223-M225 VanDerWaalsContact C-N 3.26Å; S223-M225 PolarHBondContact O-N 3.42Å; S223-I226 PolarHBondContact O-N 2.96Å; S223-I226 VanDerWaalsContact O-N 3.15Å; S223-Q227 WeakPolarHBondContact O-CG 3.33Å; S223-Q227 PolarHBondContact O-N 2.75Å |
| 224 | D | 64.5 | Low | 67.7 | Low | 98 Ų | 98 | 47.2 Ų | 47.2 | 52% | 0.524 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.5 | -37.1 | -170.4 | -41.2 | -4.1 | 0 | 0 | 0 | 111 | N222 | N222-D224 VanDerWaalsContact C-N 3.27Å; N222-D224 PolarHBondContact O-N 2.91Å |
| 225 | M | 62.4 | Low | 68.2 | Low | 66 Ų | 66 | 49.1 Ų | 49.1 | 33% | 0.325 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -79.8 | -39.2 | 177.7 | -68.8 | -68.5 | -63.4 | 0 | 0 | 111.5 | E202 N222 S223 Q227 S228 F229 | E202-M225 WeakPolarHBondContact O-CB 3.4Å; E202-M225 VanDerWaalsContact O-CG 3.3Å; E202-M225 WeakPolarHBondContact O-CG 3.48Å; N222-M225 HydrophobicContact CB-CB 4.41Å; N222-M225 WeakPolarHBondContact ND2-CG 3.31Å; N222-M225 PolarHBondContact O-N 3.39Å; S223-M225 VanDerWaalsContact C-N 3.26Å; S223-M225 PolarHBondContact O-N 3.42Å; M225-Q227 VanDerWaalsContact C-N 3.3Å; M225-Q227 PolarHBondContact O-N 3.33Å; M225-S228 PolarHBondContact O-N 3.11Å; M225-S228 VanDerWaalsContact O-N 3.13Å; M225-S228 PolarHBondContact O-OG 2.98Å; M225-F229 HydrophobicContact CB-CE2 4.32Å; M225-F229 HydrophobicContact CB-CZ 4.31Å; M225-F229 HydrophobicContact CE-CE1 4.49Å; M225-F229 HydrophobicContact CE-CZ 4.26Å; M225-F229 WeakPolarHBondContact O-CD2 3.3Å; M225-F229 PolarHBondContact O-N 3.25Å |
| 226 | I | 64.6 | Low | 68 | Low | 7 Ų | 7 | 47.7 Ų | 47.7 | 4% | 0.036 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.1 | -39.6 | 176.4 | -64.8 | 174.1 | 0 | 0 | 0 | 110.9 | L221 N222 S223 S228 F229 K234 E278 | L221-I226 HydrophobicContact CB-CD1 3.71Å; L221-I226 HydrophobicContact CD1-CD1 3.65Å; L221-I226 HydrophobicContact CD2-CD1 4.17Å; L221-I226 HydrophobicContact CG-CD1 4.05Å; N222-I226 PolarHBondContact O-N 3.22Å; S223-I226 PolarHBondContact O-N 2.96Å; S223-I226 VanDerWaalsContact O-N 3.15Å; I226-S228 PolarHBondContact O-N 2.97Å; I226-F229 HydrophobicContact CG1-CD2 4.34Å; I226-F229 PolarHBondContact O-N 3.01Å; I226-K234 HydrophobicContact CG2-CG 4.27Å; I226-K234 WeakPolarHBondContact O-CE 3.14Å; I226-K234 PolarHBondContact O-NZ 3.06Å; I226-E278 HydrophobicContact CB-CG 3.88Å; I226-E278 HydrophobicContact CD1-CG 3.94Å; I226-E278 HydrophobicContact CG2-CG 3.63Å; I226-E278 WeakPolarHBondContact CG2-OE1 3.45Å |
| 227 | Q | 64.3 | Low | 67.6 | Low | 131 Ų | 131 | 48.1 Ų | 48.1 | 61% | 0.612 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -56.8 | -40.6 | 175.9 | -72.6 | 179.2 | 5.1 | 0 | 0 | 111.9 | S223 M225 F229 K234 | S223-Q227 WeakPolarHBondContact O-CG 3.33Å; S223-Q227 PolarHBondContact O-N 2.75Å; M225-Q227 VanDerWaalsContact C-N 3.3Å; M225-Q227 PolarHBondContact O-N 3.33Å; Q227-F229 VanDerWaalsContact C-N 3.33Å; Q227-F229 PolarHBondContact O-N 3.26Å; Q227-K234 PolarHBondContact O-NZ 3.05Å; Q227-K234 VanDerWaalsContact O-NZ 3.15Å |
| 228 | S | 64.9 | Low | 67 | Low | 87 Ų | 87 | 52.4 Ų | 52.4 | 61% | 0.608 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -68.8 | -21.8 | 177 | 79.5 | 0 | 0 | 0 | 0 | 115.4 | M225 I226 | M225-S228 PolarHBondContact O-N 3.11Å; M225-S228 VanDerWaalsContact O-N 3.13Å; M225-S228 PolarHBondContact O-OG 2.98Å; I226-S228 PolarHBondContact O-N 2.97Å |
| 229 | F | 64 | Low | 66.5 | Low | 34 Ų | 34 | 53.1 Ų | 53.1 | 15% | 0.149 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -73.6 | 141.9 | -176.2 | -71.9 | -34 | 0 | 0 | 0 | 113.6 | F203 M225 I226 Q227 K234 | F203-F229 AromaticContact CD1-CE2 3.65Å; F203-F229 HydrophobicContact CD1-CE2 3.65Å; F203-F229 AromaticContact CD1-CZ 3.72Å; F203-F229 HydrophobicContact CD1-CZ 3.72Å; F203-F229 HydrophobicContact CE1-CE1 4.12Å; F203-F229 AromaticContact CE1-CE2 3.53Å; F203-F229 HydrophobicContact CE1-CE2 3.53Å; F203-F229 AromaticContact CE1-CZ 3.2Å; F203-F229 HydrophobicContact CE1-CZ 3.2Å; F203-F229 AromaticContact CZ-CZ 3.92Å; F203-F229 HydrophobicContact CZ-CZ 3.92Å; M225-F229 HydrophobicContact CB-CE2 4.32Å; M225-F229 HydrophobicContact CB-CZ 4.31Å; M225-F229 HydrophobicContact CE-CE1 4.49Å; M225-F229 HydrophobicContact CE-CZ 4.26Å; M225-F229 WeakPolarHBondContact O-CD2 3.3Å; M225-F229 PolarHBondContact O-N 3.25Å; I226-F229 HydrophobicContact CG1-CD2 4.34Å; I226-F229 PolarHBondContact O-N 3.01Å; Q227-F229 VanDerWaalsContact C-N 3.33Å; Q227-F229 PolarHBondContact O-N 3.26Å; F229-K234 HydrophobicContact CB-CG 4.06Å; F229-K234 WeakPolarHBondContact O-CD 3.45Å; F229-K234 WeakPolarHBondContact O-CE 3.35Å; F229-K234 PolarHBondContact O-NZ 3.06Å |
| 230 | D | 66 | Low | 66.4 | Low | 73 Ų | 73 | 53 Ų | 53 | 39% | 0.39 | 27% | 0.27 | S | S | . | . | trans | -69.1 | 170.1 | 172.7 | 94.5 | -63.9 | 0 | 0 | 0 | 111.9 | K232 S233 K234 | D230-K232 VanDerWaalsContact C-N 3.26Å; D230-K232 PolarHBondContact O-N 2.88Å; D230-K232 WeakPolarHBondContact OD2-CB 3.3Å; D230-K232 WeakPolarHBondContact OD2-CG 3.14Å; D230-K232 PolarHBondContact OD2-N 3.27Å; D230-S233 PolarHBondContact O-N 3.4Å; D230-S233 WeakPolarHBondContact OD1-CB 3.3Å; D230-S233 PolarHBondContact OD1-N 3.44Å; D230-S233 PolarHBondContact OD1-OG 2.68Å; D230-K234 WeakPolarHBondContact O-CB 3.46Å; D230-K234 WeakPolarHBondContact O-CG 2.89Å; D230-K234 PolarHBondContact O-N 2.78Å | ||
| 231 | M | 65.3 | Low | 66.4 | Low | 145 Ų | 145 | 51.3 Ų | 51.3 | 71% | 0.714 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -64.6 | -26.6 | -178.7 | -70.2 | -61.3 | -66.8 | 0 | 0 | 113.5 | K234 T235 | M231-K234 HydrophobicContact SD-CD 4.25Å; M231-T235 WeakPolarHBondContact O-CB 3.49Å; M231-T235 PolarHBondContact O-N 3.13Å; M231-T235 PolarHBondContact O-OG1 3.26Å |
| 232 | K | 61.1 | Low | 66.7 | Low | 104 Ų | 104 | 54.1 Ų | 54.1 | 45% | 0.452 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -69.9 | -53.6 | 172 | -60 | 173.4 | -176.7 | 172.4 | 0 | 110.1 | D230 K234 T235 V236 | D230-K232 VanDerWaalsContact C-N 3.26Å; D230-K232 PolarHBondContact O-N 2.88Å; D230-K232 WeakPolarHBondContact OD2-CB 3.3Å; D230-K232 WeakPolarHBondContact OD2-CG 3.14Å; D230-K232 PolarHBondContact OD2-N 3.27Å; K232-K234 VanDerWaalsContact C-N 3.3Å; K232-K234 PolarHBondContact O-N 3.4Å; K232-T235 CarbonylContact O-C 3.43Å; K232-T235 WeakPolarHBondContact O-CA 3.41Å; K232-T235 WeakPolarHBondContact O-CB 3.42Å; K232-T235 PolarHBondContact O-N 3.39Å; K232-V236 WeakPolarHBondContact O-CG2 3.4Å; K232-V236 PolarHBondContact O-N 3.24Å |
| 233 | S | 61.9 | Low | 67.1 | Low | 15 Ų | 15 | 55.5 Ų | 55.5 | 11% | 0.105 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.3 | -39.9 | 179.3 | -58.2 | 0 | 0 | 0 | 0 | 112.2 | D230 T235 V236 M237 Y417 | D230-S233 PolarHBondContact O-N 3.4Å; D230-S233 WeakPolarHBondContact OD1-CB 3.3Å; D230-S233 PolarHBondContact OD1-N 3.44Å; D230-S233 PolarHBondContact OD1-OG 2.68Å; S233-T235 VanDerWaalsContact C-N 3.33Å; S233-T235 PolarHBondContact O-N 3.15Å; S233-V236 PolarHBondContact O-N 3.15Å; S233-M237 WeakPolarHBondContact O-CB 3.47Å; S233-M237 WeakPolarHBondContact O-CG 3.44Å; S233-M237 PolarHBondContact O-N 2.97Å; S233-Y417 VanDerWaalsContact OG-CD1 3.24Å; S233-Y417 WeakPolarHBondContact OG-CD1 3.4Å |
| 234 | K | 65 | Low | 67.8 | Low | 60 Ų | 60 | 53.8 Ų | 53.8 | 26% | 0.261 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.4 | -39.1 | 171.2 | -78.7 | 169.7 | 165.5 | 130 | 0 | 112.8 | I226 Q227 F229 D230 M231 K232 R238 | I226-K234 HydrophobicContact CG2-CG 4.27Å; I226-K234 WeakPolarHBondContact O-CE 3.14Å; I226-K234 PolarHBondContact O-NZ 3.06Å; Q227-K234 PolarHBondContact O-NZ 3.05Å; Q227-K234 VanDerWaalsContact O-NZ 3.15Å; F229-K234 HydrophobicContact CB-CG 4.06Å; F229-K234 WeakPolarHBondContact O-CD 3.45Å; F229-K234 WeakPolarHBondContact O-CE 3.35Å; F229-K234 PolarHBondContact O-NZ 3.06Å; D230-K234 WeakPolarHBondContact O-CB 3.46Å; D230-K234 WeakPolarHBondContact O-CG 2.89Å; D230-K234 PolarHBondContact O-N 2.78Å; M231-K234 HydrophobicContact SD-CD 4.25Å; K232-K234 VanDerWaalsContact C-N 3.3Å; K232-K234 PolarHBondContact O-N 3.4Å; K234-R238 WeakPolarHBondContact O-CB 3.48Å; K234-R238 PolarHBondContact O-N 2.93Å; K234-R238 VanDerWaalsContact O-N 3.07Å |
| 235 | T | 64.3 | Low | 68.7 | Low | 59 Ų | 59 | 50.9 Ų | 50.9 | 36% | 0.362 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -70.1 | -43.1 | 175.7 | -57.6 | 0 | 0 | 0 | 0 | 111.9 | M231 K232 S233 R238 N239 | M231-T235 WeakPolarHBondContact O-CB 3.49Å; M231-T235 PolarHBondContact O-N 3.13Å; M231-T235 PolarHBondContact O-OG1 3.26Å; K232-T235 CarbonylContact O-C 3.43Å; K232-T235 WeakPolarHBondContact O-CA 3.41Å; K232-T235 WeakPolarHBondContact O-CB 3.42Å; K232-T235 PolarHBondContact O-N 3.39Å; S233-T235 VanDerWaalsContact C-N 3.33Å; S233-T235 PolarHBondContact O-N 3.15Å; T235-R238 WeakPolarHBondContact O-CB 3.29Å; T235-R238 PolarHBondContact O-N 3.33Å; T235-N239 VanDerWaalsContact O-CG 3.25Å; T235-N239 PolarHBondContact O-N 3.26Å; T235-N239 PolarHBondContact O-OD1 3.21Å |
| 236 | V | 64.4 | Low | 69.5 | Low | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.024 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.6 | -50.8 | 174.6 | 174.1 | 0 | 0 | 0 | 0 | 110.5 | K232 S233 R238 N239 L240 L413 | K232-V236 WeakPolarHBondContact O-CG2 3.4Å; K232-V236 PolarHBondContact O-N 3.24Å; S233-V236 PolarHBondContact O-N 3.15Å; V236-R238 VanDerWaalsContact C-N 3.32Å; V236-R238 PolarHBondContact O-N 3.23Å; V236-N239 PolarHBondContact O-N 3.07Å; V236-N239 VanDerWaalsContact O-N 3.08Å; V236-L240 HydrophobicContact CG1-CD1 3.89Å; V236-L240 HydrophobicContact CG1-CG 4.34Å; V236-L240 WeakPolarHBondContact O-CG 3.3Å; V236-L240 PolarHBondContact O-N 3.34Å; V236-L413 HydrophobicContact CB-CB 4.42Å; V236-L413 HydrophobicContact CG1-CB 3.82Å; V236-L413 HydrophobicContact CG2-CB 3.64Å; V236-L413 HydrophobicContact CG2-CD1 3.84Å; V236-L413 HydrophobicContact CG2-CD2 4.16Å; V236-L413 HydrophobicContact CG2-CG 4.08Å |
| 237 | M | 68.5 | Low | 70.3 | Confident | 11 Ų | 11 | 50.7 Ų | 50.7 | 5% | 0.054 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.3 | -44 | 176.1 | -81.6 | -59.4 | -62.4 | 0 | 0 | 112.7 | F203 L221 S233 N239 L240 I241 | F203-M237 HydrophobicContact CB-CE 3.85Å; F203-M237 HydrophobicContact CB-SD 4.36Å; F203-M237 HydrophobicContact CD1-CE 3.77Å; F203-M237 HydrophobicContact CD1-CG 4.18Å; F203-M237 HydrophobicContact CD1-SD 3.29Å; F203-M237 WeakPolarHBondContact CD1-SD 3.31Å; F203-M237 HydrophobicContact CE1-CG 4.45Å; F203-M237 HydrophobicContact CE1-SD 3.84Å; F203-M237 HydrophobicContact CG-CE 4.19Å; F203-M237 HydrophobicContact CG-SD 4.05Å; L221-M237 HydrophobicContact CD2-CE 3.69Å; S233-M237 WeakPolarHBondContact O-CB 3.47Å; S233-M237 WeakPolarHBondContact O-CG 3.44Å; S233-M237 PolarHBondContact O-N 2.97Å; M237-N239 VanDerWaalsContact C-N 3.33Å; M237-N239 PolarHBondContact O-N 3.48Å; M237-L240 PolarHBondContact O-N 2.77Å; M237-I241 HydrophobicContact CE-CD1 4.36Å; M237-I241 VanDerWaalsContact O-CD1 3.3Å; M237-I241 WeakPolarHBondContact O-CD1 3.49Å; M237-I241 VanDerWaalsContact O-CG1 3.25Å; M237-I241 WeakPolarHBondContact O-CG1 3.41Å; M237-I241 PolarHBondContact O-N 3.08Å; M237-I241 VanDerWaalsContact O-N 3.11Å |
| 238 | R | 68.7 | Low | 71.3 | Confident | 99 Ų | 99 | 44.7 Ų | 44.7 | 37% | 0.374 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -58.7 | -44.4 | 175.3 | -171.7 | -173.6 | -172.6 | 86.1 | 0.9 | 111.5 | K234 T235 V236 I242 I275 | K234-R238 WeakPolarHBondContact O-CB 3.48Å; K234-R238 PolarHBondContact O-N 2.93Å; K234-R238 VanDerWaalsContact O-N 3.07Å; T235-R238 WeakPolarHBondContact O-CB 3.29Å; T235-R238 PolarHBondContact O-N 3.33Å; V236-R238 VanDerWaalsContact C-N 3.32Å; V236-R238 PolarHBondContact O-N 3.23Å; R238-I242 HydrophobicContact CG-CD1 4.05Å; R238-I242 WeakPolarHBondContact O-CD1 3.48Å; R238-I242 VanDerWaalsContact O-CG1 3.24Å; R238-I242 WeakPolarHBondContact O-CG1 3.37Å; R238-I242 PolarHBondContact O-N 3.3Å; R238-I275 PolarHBondContact NH1-O 2.92Å |
| 239 | N | 68.4 | Low | 71.7 | Confident | 23 Ų | 23 | 43.1 Ų | 43.1 | 12% | 0.123 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -70.5 | -36.9 | -178.8 | -65 | -9.3 | 0 | 0 | 0 | 112.8 | T235 V236 M237 I242 R243 N410 | T235-N239 VanDerWaalsContact O-CG 3.25Å; T235-N239 PolarHBondContact O-N 3.26Å; T235-N239 PolarHBondContact O-OD1 3.21Å; V236-N239 PolarHBondContact O-N 3.07Å; V236-N239 VanDerWaalsContact O-N 3.08Å; M237-N239 VanDerWaalsContact C-N 3.33Å; M237-N239 PolarHBondContact O-N 3.48Å; N239-I242 PolarHBondContact O-N 2.91Å; N239-R243 WeakPolarHBondContact O-CB 3.17Å; N239-R243 PolarHBondContact O-N 2.73Å; N239-N410 WeakPolarHBondContact CB-OD1 3.48Å; N239-N410 PolarHBondContact ND2-OD1 3.2Å |
| 240 | L | 73.8 | Confident | 72.1 | Confident | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.1 | -42.6 | 175.5 | -72.2 | 172.6 | 0 | 0 | 0 | 111.9 | V236 M237 R243 E244 E351 Y352 L418 | V236-L240 HydrophobicContact CG1-CD1 3.89Å; V236-L240 HydrophobicContact CG1-CG 4.34Å; V236-L240 WeakPolarHBondContact O-CG 3.3Å; V236-L240 PolarHBondContact O-N 3.34Å; M237-L240 PolarHBondContact O-N 2.77Å; L240-R243 WeakPolarHBondContact O-CB 3.26Å; L240-R243 PolarHBondContact O-N 3.44Å; L240-E244 PolarHBondContact O-N 2.86Å; L240-E351 HydrophobicContact CB-CB 4.25Å; L240-E351 HydrophobicContact CD2-CB 4.27Å; L240-E351 VanDerWaalsContact CD2-O 3.3Å; L240-E351 WeakPolarHBondContact CD2-O 3.4Å; L240-Y352 HydrophobicContact CD2-CD1 4.23Å; L240-Y352 HydrophobicContact CD2-CE1 4.16Å; L240-L418 HydrophobicContact CD1-CD1 3.51Å |
| 241 | I | 75.5 | Confident | 72.7 | Confident | 10 Ų | 10 | 43 Ų | 43 | 5% | 0.051 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.8 | -40 | 174.9 | -63.4 | 159.4 | 0 | 0 | 0 | 111 | F204 L221 M237 R243 E244 L245 L280 | F204-I241 HydrophobicContact CZ-CG1 4.27Å; L221-I241 HydrophobicContact CD1-CD1 3.44Å; L221-I241 VanDerWaalsContact CD1-CD1 3.44Å; L221-I241 HydrophobicContact CD2-CD1 4.02Å; L221-I241 HydrophobicContact CG-CD1 4.14Å; M237-I241 HydrophobicContact CE-CD1 4.36Å; M237-I241 VanDerWaalsContact O-CD1 3.3Å; M237-I241 WeakPolarHBondContact O-CD1 3.49Å; M237-I241 VanDerWaalsContact O-CG1 3.25Å; M237-I241 WeakPolarHBondContact O-CG1 3.41Å; M237-I241 PolarHBondContact O-N 3.08Å; M237-I241 VanDerWaalsContact O-N 3.11Å; I241-R243 VanDerWaalsContact C-N 3.34Å; I241-E244 PolarHBondContact O-N 3Å; I241-L245 HydrophobicContact CG2-CD1 4.21Å; I241-L245 WeakPolarHBondContact O-CB 3.42Å; I241-L245 WeakPolarHBondContact O-CG 3.49Å; I241-L245 PolarHBondContact O-N 3.31Å; I241-L280 HydrophobicContact CG2-CD1 4.27Å; I241-L280 HydrophobicContact CG2-CD2 4.11Å |
| 242 | I | 76.3 | Confident | 73.4 | Confident | 61 Ų | 61 | 40.2 Ų | 40.2 | 31% | 0.313 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61.7 | -43.2 | 173.4 | -72 | 166.5 | 0 | 0 | 0 | 110.2 | R238 N239 L245 E246 | R238-I242 HydrophobicContact CG-CD1 4.05Å; R238-I242 WeakPolarHBondContact O-CD1 3.48Å; R238-I242 VanDerWaalsContact O-CG1 3.24Å; R238-I242 WeakPolarHBondContact O-CG1 3.37Å; R238-I242 PolarHBondContact O-N 3.3Å; N239-I242 PolarHBondContact O-N 2.91Å; I242-L245 PolarHBondContact O-N 3Å; I242-E246 HydrophobicContact CG2-CG 4.28Å; I242-E246 VanDerWaalsContact CG2-OE1 3.23Å; I242-E246 WeakPolarHBondContact CG2-OE1 3.11Å; I242-E246 WeakPolarHBondContact O-CB 3.35Å; I242-E246 WeakPolarHBondContact O-CG 3.4Å; I242-E246 PolarHBondContact O-N 2.85Å |
| 243 | R | 77.8 | Confident | 74.7 | Confident | 33 Ų | 33 | 37 Ų | 37 | 13% | 0.125 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.3 | -45.4 | 176.7 | -171 | 59.5 | 55.5 | -152.3 | -22 | 112.6 | N239 L240 I241 L245 E246 V247 E351 C353 | N239-R243 WeakPolarHBondContact O-CB 3.17Å; N239-R243 PolarHBondContact O-N 2.73Å; L240-R243 WeakPolarHBondContact O-CB 3.26Å; L240-R243 PolarHBondContact O-N 3.44Å; I241-R243 VanDerWaalsContact C-N 3.34Å; R243-L245 VanDerWaalsContact C-N 3.35Å; R243-L245 PolarHBondContact O-N 3.16Å; R243-E246 IonicContact CZ-OE2 3.28Å; R243-E246 IonicContact NE-OE2 3.55Å; R243-E246 IonicContact NH1-OE2 2.71Å; R243-E246 PolarHBondContact NH1-OE2 2.91Å; R243-E246 IonicContact NH2-OE2 3.78Å; R243-E246 PolarHBondContact NH2-OE2 2.86Å; R243-E246 PolarHBondContact O-N 2.8Å; R243-V247 WeakPolarHBondContact O-CG2 3.41Å; R243-V247 PolarHBondContact O-N 2.98Å; R243-V247 VanDerWaalsContact O-N 3.13Å; R243-E351 VanDerWaalsContact CG-O 3.29Å; R243-E351 WeakPolarHBondContact CG-O 3.38Å; R243-C353 VanDerWaalsContact CD-O 3.32Å; R243-C353 WeakPolarHBondContact CD-O 3.34Å |
| 244 | E | 82.1 | Confident | 75.8 | Confident | 8 Ų | 8 | 40.6 Ų | 40.6 | 4% | 0.037 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60 | -45.3 | 176 | -172.4 | -177.5 | -165 | 0 | 0 | 110.9 | L240 I241 I248 L282 Y284 | L240-E244 PolarHBondContact O-N 2.86Å; I241-E244 PolarHBondContact O-N 3Å; E244-I248 HydrophobicContact CG-CD1 3.63Å; E244-I248 WeakPolarHBondContact O-CB 3.4Å; E244-I248 VanDerWaalsContact O-CG1 3.22Å; E244-I248 WeakPolarHBondContact O-CG1 3.48Å; E244-I248 PolarHBondContact O-N 3.15Å; E244-L282 WeakPolarHBondContact OE2-CD1 3.16Å; E244-Y284 PolarHBondContact OE1-OH 3.39Å |
| 245 | L | 83.2 | Confident | 77 | Confident | 36 Ų | 36 | 38.8 Ų | 38.8 | 19% | 0.188 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.9 | -43.3 | 178.1 | -73.9 | 178.1 | 0 | 0 | 0 | 113.4 | I241 I242 R243 V247 S249 L259 I262 L282 | I241-L245 HydrophobicContact CG2-CD1 4.21Å; I241-L245 WeakPolarHBondContact O-CB 3.42Å; I241-L245 WeakPolarHBondContact O-CG 3.49Å; I241-L245 PolarHBondContact O-N 3.31Å; I242-L245 PolarHBondContact O-N 3Å; R243-L245 VanDerWaalsContact C-N 3.35Å; R243-L245 PolarHBondContact O-N 3.16Å; L245-V247 PolarHBondContact O-N 2.85Å; L245-S249 WeakPolarHBondContact O-CB 3.27Å; L245-S249 PolarHBondContact O-N 2.82Å; L245-S249 PolarHBondContact O-OG 3.26Å; L245-L259 HydrophobicContact CD2-CD2 3.79Å; L245-I262 HydrophobicContact CD1-CD1 4.14Å; L245-I262 HydrophobicContact CD2-CD1 3.51Å; L245-I262 HydrophobicContact CD2-CG1 4.01Å; L245-I262 HydrophobicContact CG-CD1 4.47Å; L245-L282 HydrophobicContact CD2-CD2 3.63Å; L245-L282 HydrophobicContact CG-CD2 4.33Å |
| 246 | E | 79.8 | Confident | 78.2 | Confident | 69 Ų | 69 | 36 Ų | 36 | 32% | 0.322 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -54.7 | -53.1 | 175.6 | -80.3 | 173.9 | -164.1 | 0 | 0 | 110.7 | I242 R243 S249 | I242-E246 HydrophobicContact CG2-CG 4.28Å; I242-E246 VanDerWaalsContact CG2-OE1 3.23Å; I242-E246 WeakPolarHBondContact CG2-OE1 3.11Å; I242-E246 WeakPolarHBondContact O-CB 3.35Å; I242-E246 WeakPolarHBondContact O-CG 3.4Å; I242-E246 PolarHBondContact O-N 2.85Å; R243-E246 IonicContact CZ-OE2 3.28Å; R243-E246 IonicContact NE-OE2 3.55Å; R243-E246 IonicContact NH1-OE2 2.71Å; R243-E246 PolarHBondContact NH1-OE2 2.91Å; R243-E246 IonicContact NH2-OE2 3.78Å; R243-E246 PolarHBondContact NH2-OE2 2.86Å; R243-E246 PolarHBondContact O-N 2.8Å; E246-S249 PolarHBondContact O-OG 2.8Å |
| 247 | V | 82 | Confident | 79.4 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.5 | -49.5 | -177.3 | 174.3 | 0 | 0 | 0 | 0 | 111.5 | R243 L245 S249 C250 V251 L322 I327 F350 C353 F355 | R243-V247 WeakPolarHBondContact O-CG2 3.41Å; R243-V247 PolarHBondContact O-N 2.98Å; R243-V247 VanDerWaalsContact O-N 3.13Å; L245-V247 PolarHBondContact O-N 2.85Å; V247-S249 VanDerWaalsContact C-N 3.3Å; V247-S249 PolarHBondContact O-N 3.16Å; V247-C250 PolarHBondContact O-N 3.47Å; V247-V251 HydrophobicContact CG1-CG2 4.11Å; V247-V251 WeakPolarHBondContact O-CB 3.17Å; V247-V251 VanDerWaalsContact O-CG2 3.27Å; V247-V251 WeakPolarHBondContact O-CG2 3.43Å; V247-V251 PolarHBondContact O-N 3.43Å; V247-L322 HydrophobicContact CG1-CD2 4.49Å; V247-I327 HydrophobicContact CG1-CD1 4.22Å; V247-I327 HydrophobicContact CG1-CG2 4.47Å; V247-I327 HydrophobicContact CG2-CG2 4.46Å; V247-F350 HydrophobicContact CB-CB 4.04Å; V247-F350 HydrophobicContact CG1-CB 3.88Å; V247-F350 HydrophobicContact CG1-CD1 4.03Å; V247-F350 HydrophobicContact CG1-CG 3.91Å; V247-C353 HydrophobicContact CG2-CB 3.74Å; V247-F355 HydrophobicContact CG2-CE2 4.28Å; V247-F355 HydrophobicContact CG2-CZ 4.18Å |
| 248 | I | 83.8 | Confident | 80.2 | Confident | 5 Ų | 5 | 37.2 Ų | 37.2 | 3% | 0.026 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -70.2 | -27.6 | -175.8 | -57.6 | 170.3 | 0 | 0 | 0 | 112.1 | E244 C250 L259 Y284 F350 | E244-I248 HydrophobicContact CG-CD1 3.63Å; E244-I248 WeakPolarHBondContact O-CB 3.4Å; E244-I248 VanDerWaalsContact O-CG1 3.22Å; E244-I248 WeakPolarHBondContact O-CG1 3.48Å; E244-I248 PolarHBondContact O-N 3.15Å; I248-C250 PolarHBondContact O-N 3.49Å; I248-L259 HydrophobicContact CG2-CB 3.57Å; I248-L259 HydrophobicContact CG2-CD2 4.5Å; I248-Y284 HydrophobicContact CD1-CE1 3.84Å; I248-Y284 WeakPolarHBondContact CD1-OH 3.49Å; I248-F350 HydrophobicContact CD1-CD2 3.69Å; I248-F350 HydrophobicContact CD1-CE2 4.32Å; I248-F350 HydrophobicContact CG1-CB 4.48Å; I248-F350 HydrophobicContact CG1-CD2 3.37Å; I248-F350 HydrophobicContact CG1-CE2 3.94Å; I248-F350 HydrophobicContact CG1-CG 4.25Å |
| 249 | S | 74.8 | Confident | 80.9 | Confident | 54 Ų | 54 | 33 Ų | 33 | 38% | 0.378 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -64.2 | -29.4 | 174.6 | 75.4 | 0 | 0 | 0 | 0 | 113.1 | L245 E246 V247 | L245-S249 WeakPolarHBondContact O-CB 3.27Å; L245-S249 PolarHBondContact O-N 2.82Å; L245-S249 PolarHBondContact O-OG 3.26Å; E246-S249 PolarHBondContact O-OG 2.8Å; V247-S249 VanDerWaalsContact C-N 3.3Å; V247-S249 PolarHBondContact O-N 3.16Å |
| 250 | C | 71.6 | Confident | 81.4 | Confident | 102 Ų | 102 | 33.8 Ų | 33.8 | 69% | 0.689 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -97.4 | -19.9 | -177.9 | -70.4 | 0 | 0 | 0 | 0 | 114 | V247 I248 | V247-C250 PolarHBondContact O-N 3.47Å; I248-C250 PolarHBondContact O-N 3.49Å |
| 251 | V | 78.7 | Confident | 81.5 | Confident | 3 Ų | 3 | 33.9 Ų | 33.9 | 2% | 0.018 | 19% | 0.188 | C | C | . | . | trans | -108.7 | 117.1 | -169.2 | 172.7 | 0 | 0 | 0 | 0 | 111.9 | V247 I256 F321 L322 I327 | V247-V251 HydrophobicContact CG1-CG2 4.11Å; V247-V251 WeakPolarHBondContact O-CB 3.17Å; V247-V251 VanDerWaalsContact O-CG2 3.27Å; V247-V251 WeakPolarHBondContact O-CG2 3.43Å; V247-V251 PolarHBondContact O-N 3.43Å; V251-I256 HydrophobicContact CG1-CD1 3.46Å; V251-I256 VanDerWaalsContact CG1-CD1 3.46Å; V251-I256 HydrophobicContact CG1-CG2 4.1Å; V251-F321 HydrophobicContact CG1-CD1 4.26Å; V251-F321 HydrophobicContact CG1-CE1 4.04Å; V251-L322 HydrophobicContact CG1-CD2 3.98Å; V251-L322 HydrophobicContact CG2-CD2 3.87Å; V251-I327 HydrophobicContact CG2-CD1 3.98Å | ||
| 252 | H | 80.5 | Confident | 81.6 | Confident | 87 Ų | 87 | 35.4 Ų | 35.4 | 40% | 0.403 | 20% | 0.195 | S | C | . | . | trans | -128.7 | 109.4 | 172.8 | -66.8 | -21.4 | 0 | 0 | 0 | 110.3 | R945 | H252-R945 PolarHBondContact NE2-NH1 2.96Å; H252-R945 PolarHBondContact NE2-NH2 2.89Å; H252-R945 VanDerWaalsContact NE2-NH2 3.19Å | ||
| 253 | H | 86.8 | Confident | 81.3 | Confident | 35 Ų | 35 | 33.4 Ų | 33.4 | 16% | 0.162 | 19% | 0.185 | C | C | . | . | trans | -145.6 | 141.7 | -177.1 | -175 | -101.8 | 0 | 0 | 0 | 110 | N255 I256 F321 | H253-N255 PolarHBondContact ND1-N 3.12Å; H253-N255 PolarHBondContact O-N 3.14Å; H253-N255 VanDerWaalsContact O-N 3.15Å; H253-I256 HydrophobicContact CB-CB 4.11Å; H253-I256 HydrophobicContact CB-CD1 3.95Å; H253-I256 HydrophobicContact CB-CG1 4.07Å; H253-I256 PolarHBondContact O-N 3.38Å; H253-F321 HydrophobicContact CB-CD1 4.05Å; H253-F321 HydrophobicContact CB-CE1 4.31Å; H253-F321 HydrophobicContact CB-CG 4.26Å; H253-F321 AromaticContact CD2-CD2 3.68Å; H253-F321 AromaticContact CD2-CG 3.68Å | ||
| 254 | P | 84.9 | Confident | 80.9 | Confident | 91 Ų | 91 | 35 Ų | 35 | 59% | 0.591 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57 | -32.8 | -176.2 | 20.4 | -34.5 | 0 | 0 | 0 | 114.4 | I256 K346 | P254-I256 VanDerWaalsContact C-N 3.33Å; P254-K346 VanDerWaalsContact O-CE 3.32Å; P254-K346 WeakPolarHBondContact O-CE 3.33Å |
| 255 | N | 90.8 | Very high | 79.8 | Confident | 23 Ų | 23 | 37 Ų | 37 | 12% | 0.123 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 19 | -179.9 | -50.3 | -9.2 | 0 | 0 | 0 | 112.1 | H253 Q314 E317 A318 K346 L347 | H253-N255 PolarHBondContact ND1-N 3.12Å; H253-N255 PolarHBondContact O-N 3.14Å; H253-N255 VanDerWaalsContact O-N 3.15Å; N255-Q314 WeakPolarHBondContact CB-O 3.18Å; N255-Q314 WeakPolarHBondContact ND2-CA 3.32Å; N255-Q314 PolarHBondContact ND2-O 3.15Å; N255-E317 PolarHBondContact ND2-OE2 3.06Å; N255-A318 HydrophobicContact CB-CB 4.14Å; N255-K346 CarbonylContact O-C 3.11Å; N255-K346 WeakPolarHBondContact O-CA 3.34Å; N255-L347 PolarHBondContact O-N 2.78Å |
| 256 | I | 90.8 | Very high | 78.4 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | B | Isolated β-bridge | trans | -123.3 | 142.1 | 176.1 | -71.6 | -179 | 0 | 0 | 0 | 109.7 | V251 H253 P254 A318 L322 K346 L347 F350 | V251-I256 HydrophobicContact CG1-CD1 3.46Å; V251-I256 VanDerWaalsContact CG1-CD1 3.46Å; V251-I256 HydrophobicContact CG1-CG2 4.1Å; H253-I256 HydrophobicContact CB-CB 4.11Å; H253-I256 HydrophobicContact CB-CD1 3.95Å; H253-I256 HydrophobicContact CB-CG1 4.07Å; H253-I256 PolarHBondContact O-N 3.38Å; P254-I256 VanDerWaalsContact C-N 3.33Å; I256-A318 HydrophobicContact CD1-CB 4.3Å; I256-A318 HydrophobicContact CG1-CB 3.98Å; I256-L322 HydrophobicContact CD1-CD1 4.14Å; I256-L322 HydrophobicContact CD1-CD2 4.17Å; I256-L322 HydrophobicContact CD1-CG 4.02Å; I256-K346 WeakPolarHBondContact O-CD 3.43Å; I256-L347 WeakPolarHBondContact CA-O 3.21Å; I256-L347 HydrophobicContact CG1-CB 4.4Å; I256-F350 HydrophobicContact CD1-CZ 4.33Å; I256-F350 HydrophobicContact CG1-CZ 4.3Å; I256-F350 HydrophobicContact CG2-CE2 3.83Å; I256-F350 HydrophobicContact CG2-CZ 3.62Å |
| 257 | I | 89.4 | Confident | 77 | Confident | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | P | Polyproline II helix | trans | -67 | 133.4 | -177.7 | -164.2 | 168.5 | 0 | 0 | 0 | 111.4 | Y284 Y338 L347 F350 | I257-Y284 HydrophobicContact CD1-CD1 4.15Å; I257-Y284 HydrophobicContact CD1-CG 4.09Å; I257-Y284 HydrophobicContact CG1-CD1 4.05Å; I257-Y284 HydrophobicContact CG1-CG 4.42Å; I257-Y284 HydrophobicContact CG2-CD1 4.29Å; I257-Y284 HydrophobicContact CG2-CE1 4.29Å; I257-Y338 HydrophobicContact CD1-CD1 4.38Å; I257-Y338 HydrophobicContact CD1-CD2 4.09Å; I257-Y338 HydrophobicContact CD1-CE2 4.3Å; I257-Y338 HydrophobicContact CD1-CG 4.14Å; I257-L347 WeakPolarHBondContact CG2-O 3.38Å; I257-L347 PolarHBondContact N-O 2.81Å; I257-F350 HydrophobicContact CG2-CE2 4.3Å |
| 258 | N | 83.9 | Confident | 75 | Confident | 36 Ų | 36 | 40.5 Ų | 40.5 | 19% | 0.193 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -88.4 | 119.4 | -180 | -67.6 | -58.9 | 0 | 0 | 0 | 110.5 | L260 Y284 E285 K346 | N258-L260 HydrophobicContact CB-CD2 4.39Å; N258-Y284 WeakPolarHBondContact O-CA 3.48Å; N258-E285 HydrophobicContact CB-CB 4.35Å; N258-E285 PolarHBondContact ND2-OE2 3.11Å; N258-E285 PolarHBondContact O-N 2.88Å; N258-K346 PolarHBondContact ND2-NZ 2.67Å |
| 259 | L | 84.8 | Confident | 72.9 | Confident | 11 Ų | 11 | 48.8 Ų | 48.8 | 6% | 0.058 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 126.9 | 159.3 | -174.3 | 71.7 | 0 | 0 | 0 | 108.6 | L245 I248 A261 I262 L282 Y284 L995 | L245-L259 HydrophobicContact CD2-CD2 3.79Å; I248-L259 HydrophobicContact CG2-CB 3.57Å; I248-L259 HydrophobicContact CG2-CD2 4.5Å; L259-A261 WeakPolarHBondContact CD1-O 3.5Å; L259-I262 HydrophobicContact CD2-CD1 4.36Å; L259-I262 HydrophobicContact CD2-CG1 4.02Å; L259-L282 HydrophobicContact CD1-CB 4.02Å; L259-L282 HydrophobicContact CD1-CD2 4.27Å; L259-Y284 HydrophobicContact CB-CD1 4.18Å; L259-Y284 HydrophobicContact CB-CE1 3.83Å; L259-Y284 HydrophobicContact CD1-CD1 4.06Å; L259-Y284 HydrophobicContact CD1-CE1 3.66Å; L259-Y284 HydrophobicContact CG-CE1 4.35Å; L259-L995 HydrophobicContact CD2-CD1 4.27Å |
| 260 | L | 78.6 | Confident | 71.2 | Confident | 39 Ų | 39 | 48.3 Ų | 48.3 | 20% | 0.204 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | -39.4 | -178.3 | -57.5 | 176.5 | 0 | 0 | 0 | 111.5 | W211 V216 N258 V283 | W211-L260 HydrophobicContact CE3-CB 4.34Å; W211-L260 HydrophobicContact CE3-CD1 4.46Å; W211-L260 HydrophobicContact CH2-CB 4.27Å; W211-L260 HydrophobicContact CZ3-CB 3.88Å; V216-L260 HydrophobicContact CG1-CD1 3.61Å; N258-L260 HydrophobicContact CB-CD2 4.39Å; L260-V283 HydrophobicContact CB-CG1 4.44Å; L260-V283 WeakPolarHBondContact CB-O 3.23Å; L260-V283 PolarHBondContact N-O 2.99Å |
| 261 | A | 75.6 | Confident | 69.4 | Low | 4 Ų | 4 | 54.9 Ų | 54.9 | 3% | 0.033 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 165.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | W211 L259 V283 | W211-A261 HydrophobicContact CH2-CB 4.17Å; W211-A261 HydrophobicContact CZ2-CB 3.57Å; L259-A261 WeakPolarHBondContact CD1-O 3.5Å; A261-V283 HydrophobicContact CB-CB 4.15Å; A261-V283 HydrophobicContact CB-CG2 4.3Å; A261-V283 PolarHBondContact N-O 2.83Å; A261-V283 WeakPolarHBondContact O-CB 3.49Å; A261-V283 PolarHBondContact O-N 3.48Å |
| 262 | I | 77.5 | Confident | 67.4 | Low | 42 Ų | 42 | 60.9 Ų | 60.9 | 22% | 0.215 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 130.3 | 167.8 | -53.8 | 167.2 | 0 | 0 | 0 | 106.5 | L245 L259 L280 L282 | L245-I262 HydrophobicContact CD1-CD1 4.14Å; L245-I262 HydrophobicContact CD2-CD1 3.51Å; L245-I262 HydrophobicContact CD2-CG1 4.01Å; L245-I262 HydrophobicContact CG-CD1 4.47Å; L259-I262 HydrophobicContact CD2-CD1 4.36Å; L259-I262 HydrophobicContact CD2-CG1 4.02Å; I262-L280 HydrophobicContact CG2-CD1 4.32Å; I262-L280 HydrophobicContact CG2-CG 4.28Å; I262-L282 HydrophobicContact CG1-CD2 4.18Å; I262-L282 HydrophobicContact CG2-CD2 4.29Å |
| 263 | I | 70.1 | Confident | 65.3 | Low | 18 Ų | 18 | 68.4 Ų | 68.4 | 9% | 0.092 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 139.7 | 176.2 | -64.8 | 172.4 | 0 | 0 | 0 | 108.3 | I180 L218 N265 L280 A281 V283 | I180-I263 HydrophobicContact CD1-CD1 3.87Å; I180-I263 HydrophobicContact CD1-CG1 4.24Å; L218-I263 HydrophobicContact CD1-CD1 3.91Å; I263-N265 WeakPolarHBondContact CG2-OD1 3.49Å; I263-L280 WeakPolarHBondContact O-CA 3.24Å; I263-A281 HydrophobicContact CB-CB 4.4Å; I263-A281 PolarHBondContact N-O 2.89Å; I263-A281 PolarHBondContact O-N 3.16Å; I263-V283 HydrophobicContact CD1-CG2 3.59Å; I263-V283 HydrophobicContact CG1-CG2 3.91Å |
| 264 | Y | 68.4 | Low | 63.2 | Low | 66 Ų | 66 | 73.3 Ų | 73.3 | 26% | 0.259 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 101.2 | 177.8 | -173.5 | -112.9 | 0 | 0 | 0 | 110.3 | I266 I275 N276 N279 L280 | Y264-I266 HydrophobicContact CD1-CD1 3.84Å; Y264-I266 HydrophobicContact CD1-CG1 3.7Å; Y264-I266 HydrophobicContact CE1-CD1 4.03Å; Y264-I266 HydrophobicContact CE1-CG1 3.39Å; Y264-I266 PolarHBondContact O-N 2.96Å; Y264-I275 HydrophobicContact CE2-CG2 3.85Å; Y264-I275 WeakPolarHBondContact OH-CA 3.26Å; Y264-N276 WeakPolarHBondContact CE2-O 3.28Å; Y264-N276 PolarHBondContact OH-N 3.16Å; Y264-N279 WeakPolarHBondContact CA-O 3.45Å; Y264-N279 HydrophobicContact CD2-CB 3.93Å; Y264-N279 HydrophobicContact CE2-CB 3.62Å; Y264-L280 HydrophobicContact CD2-CB 4.48Å |
| 265 | N | 60.3 | Low | 61.6 | Low | 52 Ų | 52 | 73.7 Ų | 73.7 | 28% | 0.278 | 35% | 0.348 | S | S | . | . | trans | -89.4 | 86.5 | -172.7 | -65.5 | -26.3 | 0 | 0 | 0 | 111.3 | I263 P267 N279 | I263-N265 WeakPolarHBondContact CG2-OD1 3.49Å; N265-P267 WeakPolarHBondContact O-CD 3.39Å; N265-N279 PolarHBondContact N-O 3.47Å; N265-N279 WeakPolarHBondContact O-CB 3.28Å; N265-N279 PolarHBondContact O-OD1 3.05Å; N265-N279 VanDerWaalsContact O-OD1 3.13Å | ||
| 266 | I | 54 | Low | 59.7 | Low | 18 Ų | 18 | 75.2 Ų | 75.2 | 9% | 0.092 | 36% | 0.357 | C | S | . | . | trans | -74.1 | 123.6 | 176.7 | -37.2 | 91.1 | 0 | 0 | 0 | 110.3 | Y264 Y1001 | Y264-I266 HydrophobicContact CD1-CD1 3.84Å; Y264-I266 HydrophobicContact CD1-CG1 3.7Å; Y264-I266 HydrophobicContact CE1-CD1 4.03Å; Y264-I266 HydrophobicContact CE1-CG1 3.39Å; Y264-I266 PolarHBondContact O-N 2.96Å; I266-Y1001 HydrophobicContact CD1-CD2 4.39Å; I266-Y1001 HydrophobicContact CD1-CE2 3.63Å; I266-Y1001 HydrophobicContact CG1-CE2 3.94Å; I266-Y1001 WeakPolarHBondContact CG2-OH 3.26Å | ||
| 267 | P | 49.5 | Very low | 58.1 | Low | 61 Ų | 61 | 76.4 Ų | 76.4 | 40% | 0.396 | 36% | 0.364 | S | S | . | . | trans | -63.3 | 155.3 | 171.8 | 27 | -34.6 | 0 | 0 | 0 | 111.2 | N265 E269 N279 | N265-P267 WeakPolarHBondContact O-CD 3.39Å; P267-E269 PolarHBondContact O-N 2.81Å; P267-E269 VanDerWaalsContact O-N 3.09Å; P267-N279 WeakPolarHBondContact CD-ND2 3.32Å | ||
| 268 | H | 39.2 | Very low | 56.7 | Low | 99 Ų | 99 | 77.9 Ų | 77.9 | 46% | 0.458 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -68.9 | -8.1 | -171.5 | -86.2 | -127.2 | 0 | 0 | 0 | 114.8 | R174 | R174-H268 VanDerWaalsContact NH1-C 3.32Å; R174-H268 PolarHBondContact NH1-O 3.41Å |
| 269 | E | 41.6 | Very low | 55.7 | Low | 179 Ų | 179 | 77.2 Ų | 77.2 | 84% | 0.836 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -111.4 | -25.8 | -165.5 | -65.5 | 170.6 | 165.1 | 0 | 0 | 114.1 | P267 R271 | P267-E269 PolarHBondContact O-N 2.81Å; P267-E269 VanDerWaalsContact O-N 3.09Å; E269-R271 PolarHBondContact O-N 3.22Å |
| 270 | S | 37.3 | Very low | 55 | Low | 43 Ų | 43 | 77.7 Ų | 77.7 | 30% | 0.301 | 37% | 0.37 | S | S | . | . | trans | -70 | 115.9 | 179.2 | 59.9 | 0 | 0 | 0 | 0 | 111.3 | R174 | R174-S270 PolarHBondContact NH2-O 2.98Š| ||
| 271 | R | 34.3 | Very low | 54.7 | Low | 241 Ų | 241 | 75.9 Ų | 75.9 | 91% | 0.909 | 36% | 0.361 | S | S | * | . | trans | -83.6 | -18.6 | 168.5 | -75.1 | -174.8 | 172.9 | -176.9 | -1.9 | 113 | E269 | E269-R271 PolarHBondContact O-N 3.22Š| ||
| 272 | D | 36.5 | Very low | 55 | Low | 129 Ų | 129 | 75.7 Ų | 75.7 | 69% | 0.69 | 36% | 0.359 | S | S | * | . | trans | -69.7 | 136.5 | 179.5 | -70 | -54.8 | 0 | 0 | 0 | 112.6 | L274 | D272-L274 HydrophobicContact CB-CD1 4.4Å; D272-L274 PolarHBondContact O-N 2.99Å | ||
| 273 | R | 37.8 | Very low | 55.2 | Low | 245 Ų | 245 | 73.7 Ų | 73.7 | 93% | 0.925 | 35% | 0.349 | S | S | * | . | trans | -82.7 | 8 | -179 | -63 | -178.7 | 179.4 | 172.4 | 0.6 | 113.6 | ||||
| 274 | L | 42 | Very low | 55.8 | Low | 138 Ų | 138 | 73 Ų | 73 | 72% | 0.723 | 35% | 0.345 | S | S | * | . | trans | -69.7 | 134.7 | 176.7 | -82 | 91.4 | 0 | 0 | 0 | 110.7 | D272 N276 | D272-L274 HydrophobicContact CB-CD1 4.4Å; D272-L274 PolarHBondContact O-N 2.99Å; L274-N276 PolarHBondContact O-N 2.88Å | ||
| 275 | I | 50.2 | Low | 56.5 | Low | 98 Ų | 98 | 71.1 Ų | 71.1 | 50% | 0.503 | 34% | 0.339 | S | S | . | . | trans | -74.6 | 95.9 | 171.4 | -58.3 | 171.4 | 0 | 0 | 0 | 107.6 | R238 Y264 P277 | R238-I275 PolarHBondContact NH1-O 2.92Å; Y264-I275 HydrophobicContact CE2-CG2 3.85Å; Y264-I275 WeakPolarHBondContact OH-CA 3.26Å; I275-P277 WeakPolarHBondContact O-CD 3.21Å | ||
| 276 | N | 52.6 | Low | 57.6 | Low | 56 Ų | 56 | 72.7 Ų | 72.7 | 30% | 0.299 | 34% | 0.341 | S | S | . | . | trans | -76.3 | 117 | 173.7 | 179.6 | -0.5 | 0 | 0 | 0 | 109.1 | Y264 L274 E278 N279 | Y264-N276 WeakPolarHBondContact CE2-O 3.28Å; Y264-N276 PolarHBondContact OH-N 3.16Å; L274-N276 PolarHBondContact O-N 2.88Å; N276-E278 PolarHBondContact ND2-OE2 3.46Å; N276-E278 PolarHBondContact O-N 3.4Å; N276-E278 WeakPolarHBondContact OD1-CB 3.43Å; N276-E278 VanDerWaalsContact OD1-CG 3.3Å; N276-E278 WeakPolarHBondContact OD1-CG 3.42Å; N276-E278 PolarHBondContact OD1-N 3.11Å; N276-E278 VanDerWaalsContact OD1-N 3.08Å; N276-E278 PolarHBondContact OD1-OE2 3.5Å; N276-N279 PolarHBondContact O-N 3.01Å | ||
| 277 | P | 57.2 | Low | 59 | Low | 25 Ų | 25 | 72.6 Ų | 72.6 | 16% | 0.162 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -61.6 | -25.6 | -178.2 | 26.6 | -35.7 | 0 | 0 | 0 | 113.7 | L221 I275 N279 L280 | L221-P277 HydrophobicContact CD1-CB 3.71Å; L221-P277 WeakPolarHBondContact CD1-O 3.06Å; I275-P277 WeakPolarHBondContact O-CD 3.21Å; P277-N279 PolarHBondContact O-N 2.98Å; P277-L280 VanDerWaalsContact O-CB 3.28Å; P277-L280 WeakPolarHBondContact O-CB 3.37Å; P277-L280 PolarHBondContact O-N 3.01Å |
| 278 | E | 58.6 | Low | 60.4 | Low | 35 Ų | 35 | 72.7 Ų | 72.7 | 16% | 0.164 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -53.7 | -27 | 178 | -64.3 | 168.5 | 167.6 | 0 | 0 | 113.4 | I226 N276 L280 | I226-E278 HydrophobicContact CB-CG 3.88Å; I226-E278 HydrophobicContact CD1-CG 3.94Å; I226-E278 HydrophobicContact CG2-CG 3.63Å; I226-E278 WeakPolarHBondContact CG2-OE1 3.45Å; N276-E278 PolarHBondContact ND2-OE2 3.46Å; N276-E278 PolarHBondContact O-N 3.4Å; N276-E278 WeakPolarHBondContact OD1-CB 3.43Å; N276-E278 VanDerWaalsContact OD1-CG 3.3Å; N276-E278 WeakPolarHBondContact OD1-CG 3.42Å; N276-E278 PolarHBondContact OD1-N 3.11Å; N276-E278 VanDerWaalsContact OD1-N 3.08Å; N276-E278 PolarHBondContact OD1-OE2 3.5Å; E278-L280 VanDerWaalsContact C-N 3.35Å |
| 279 | N | 63.3 | Low | 62.3 | Low | 23 Ų | 23 | 71.4 Ų | 71.4 | 12% | 0.123 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -83.3 | -7 | -179.7 | -65.2 | -26.9 | 0 | 0 | 0 | 113.9 | Y264 N265 P267 N276 P277 | Y264-N279 WeakPolarHBondContact CA-O 3.45Å; Y264-N279 HydrophobicContact CD2-CB 3.93Å; Y264-N279 HydrophobicContact CE2-CB 3.62Å; N265-N279 PolarHBondContact N-O 3.47Å; N265-N279 WeakPolarHBondContact O-CB 3.28Å; N265-N279 PolarHBondContact O-OD1 3.05Å; N265-N279 VanDerWaalsContact O-OD1 3.13Å; P267-N279 WeakPolarHBondContact CD-ND2 3.32Å; N276-N279 PolarHBondContact O-N 3.01Å; P277-N279 PolarHBondContact O-N 2.98Å |
| 280 | L | 70.4 | Confident | 64.2 | Low | 20 Ų | 20 | 63.3 Ų | 63.3 | 11% | 0.105 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 135.8 | -173.4 | -174.6 | 148.3 | 0 | 0 | 0 | 112 | L221 I241 I262 I263 Y264 P277 E278 L282 | L221-L280 PolarHBondContact N-O 2.94Å; I241-L280 HydrophobicContact CG2-CD1 4.27Å; I241-L280 HydrophobicContact CG2-CD2 4.11Å; I262-L280 HydrophobicContact CG2-CD1 4.32Å; I262-L280 HydrophobicContact CG2-CG 4.28Å; I263-L280 WeakPolarHBondContact O-CA 3.24Å; Y264-L280 HydrophobicContact CD2-CB 4.48Å; P277-L280 VanDerWaalsContact O-CB 3.28Å; P277-L280 WeakPolarHBondContact O-CB 3.37Å; P277-L280 PolarHBondContact O-N 3.01Å; E278-L280 VanDerWaalsContact C-N 3.35Å; L280-L282 HydrophobicContact CD2-CD2 3.81Å; L280-L282 HydrophobicContact CD2-CG 3.92Å |
| 281 | A | 73.1 | Confident | 66.5 | Low | 1 Ų | 1 | 61.4 Ų | 61.4 | 1% | 0.008 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 131.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L218 N219 Q220 I263 | L218-A281 HydrophobicContact CD1-CB 4.35Å; L218-A281 HydrophobicContact CD2-CB 3.83Å; L218-A281 HydrophobicContact CG-CB 4.03Å; N219-A281 CarbonylContact O-C 3.57Å; N219-A281 VanDerWaalsContact O-CA 3.29Å; N219-A281 WeakPolarHBondContact O-CA 3.45Å; Q220-A281 HydrophobicContact CB-CB 3.95Å; Q220-A281 HydrophobicContact CG-CB 4.16Å; I263-A281 HydrophobicContact CB-CB 4.4Å; I263-A281 PolarHBondContact N-O 2.89Å; I263-A281 PolarHBondContact O-N 3.16Å |
| 282 | L | 80.7 | Confident | 69 | Low | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 130.6 | 177.5 | -58.3 | 179.2 | 0 | 0 | 0 | 110 | L218 N219 E244 L245 L259 I262 L280 Y284 | L218-L282 CarbonylContact C-O 3.56Å; L218-L282 WeakPolarHBondContact CA-O 3.33Å; N219-L282 HydrophobicContact CB-CB 4.47Å; N219-L282 PolarHBondContact N-O 3.36Å; N219-L282 PolarHBondContact O-N 3.35Å; E244-L282 WeakPolarHBondContact OE2-CD1 3.16Å; L245-L282 HydrophobicContact CD2-CD2 3.63Å; L245-L282 HydrophobicContact CG-CD2 4.33Å; L259-L282 HydrophobicContact CD1-CB 4.02Å; L259-L282 HydrophobicContact CD1-CD2 4.27Å; I262-L282 HydrophobicContact CG1-CD2 4.18Å; I262-L282 HydrophobicContact CG2-CD2 4.29Å; L280-L282 HydrophobicContact CD2-CD2 3.81Å; L280-L282 HydrophobicContact CD2-CG 3.92Å; L282-Y284 HydrophobicContact CB-CD2 4.29Å; L282-Y284 HydrophobicContact CB-CE2 3.71Å; L282-Y284 HydrophobicContact CD1-CE2 4.16Å |
| 283 | V | 81.5 | Confident | 71.2 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 108.4 | -178.2 | -172.7 | 0 | 0 | 0 | 0 | 109.8 | W211 V216 L218 L260 A261 I263 | W211-V283 HydrophobicContact CG-CG1 4.5Å; V216-V283 HydrophobicContact CB-CG1 3.78Å; V216-V283 HydrophobicContact CG1-CG1 4.03Å; V216-V283 HydrophobicContact CG2-CG1 3.78Å; L218-V283 HydrophobicContact CD1-CG2 4.16Å; L218-V283 HydrophobicContact CG-CG2 4.5Å; L260-V283 HydrophobicContact CB-CG1 4.44Å; L260-V283 WeakPolarHBondContact CB-O 3.23Å; L260-V283 PolarHBondContact N-O 2.99Å; A261-V283 HydrophobicContact CB-CB 4.15Å; A261-V283 HydrophobicContact CB-CG2 4.3Å; A261-V283 PolarHBondContact N-O 2.83Å; A261-V283 WeakPolarHBondContact O-CB 3.49Å; A261-V283 PolarHBondContact O-N 3.48Å; I263-V283 HydrophobicContact CD1-CG2 3.59Å; I263-V283 HydrophobicContact CG1-CG2 3.91Å |
| 284 | Y | 84 | Confident | 73.2 | Confident | 4 Ų | 4 | 36.8 Ų | 36.8 | 2% | 0.016 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 156 | -178.9 | -71 | -65.4 | 0 | 0 | 0 | 112.9 | V216 L217 E244 I248 I257 N258 L259 L282 R286 | V216-Y284 WeakPolarHBondContact CA-O 3.45Å; V216-Y284 WeakPolarHBondContact CB-O 3.17Å; L217-Y284 PolarHBondContact N-O 2.86Å; L217-Y284 PolarHBondContact O-N 2.74Å; E244-Y284 PolarHBondContact OE1-OH 3.39Å; I248-Y284 HydrophobicContact CD1-CE1 3.84Å; I248-Y284 WeakPolarHBondContact CD1-OH 3.49Å; I257-Y284 HydrophobicContact CD1-CD1 4.15Å; I257-Y284 HydrophobicContact CD1-CG 4.09Å; I257-Y284 HydrophobicContact CG1-CD1 4.05Å; I257-Y284 HydrophobicContact CG1-CG 4.42Å; I257-Y284 HydrophobicContact CG2-CD1 4.29Å; I257-Y284 HydrophobicContact CG2-CE1 4.29Å; N258-Y284 WeakPolarHBondContact O-CA 3.48Å; L259-Y284 HydrophobicContact CB-CD1 4.18Å; L259-Y284 HydrophobicContact CB-CE1 3.83Å; L259-Y284 HydrophobicContact CD1-CD1 4.06Å; L259-Y284 HydrophobicContact CD1-CE1 3.66Å; L259-Y284 HydrophobicContact CG-CE1 4.35Å; L282-Y284 HydrophobicContact CB-CD2 4.29Å; L282-Y284 HydrophobicContact CB-CE2 3.71Å; L282-Y284 HydrophobicContact CD1-CE2 4.16Å; Y284-R286 PolarHBondContact O-N 2.74Å |
| 285 | E | 83 | Confident | 75.2 | Confident | 25 Ų | 25 | 31.7 Ų | 31.7 | 12% | 0.117 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.8 | 132.6 | 163.4 | -165.8 | -173.9 | 166.3 | 0 | 0 | 110 | N258 P287 Y340 K346 T938 | N258-E285 HydrophobicContact CB-CB 4.35Å; N258-E285 PolarHBondContact ND2-OE2 3.11Å; N258-E285 PolarHBondContact O-N 2.88Å; E285-P287 WeakPolarHBondContact O-CD 3.33Å; E285-Y340 HydrophobicContact CG-CE1 3.89Å; E285-Y340 PolarHBondContact O-OH 3.21Å; E285-K346 IonicContact OE1-NZ 3.26Å; E285-K346 IonicContact OE2-NZ 2.79Å; E285-K346 PolarHBondContact OE2-NZ 3.2Å; E285-T938 HydrophobicContact CG-CG2 4.47Å |
| 286 | R | 82.9 | Confident | 76.8 | Confident | 86 Ų | 86 | 29.1 Ų | 29.1 | 33% | 0.325 | 15% | 0.147 | S | C | . | . | P | Polyproline II helix | trans | -75.9 | 123.2 | -174.2 | 179 | 172.7 | 175.9 | 179.9 | 0.5 | 111.3 | C208 S215 Y284 Y340 | C208-R286 VanDerWaalsContact SG-CZ 3.58Å; C208-R286 PolarHBondContact SG-NE 3.5Å; C208-R286 VanDerWaalsContact SG-NE 3.43Å; S215-R286 VanDerWaalsContact O-CB 3.26Å; S215-R286 WeakPolarHBondContact O-CB 3.48Å; S215-R286 WeakPolarHBondContact OG-CD 3.44Å; S215-R286 PolarHBondContact OG-NH1 2.81Å; Y284-R286 PolarHBondContact O-N 2.74Å; R286-Y340 VanDerWaalsContact O-CE1 3.23Å; R286-Y340 WeakPolarHBondContact O-CE1 3.29Å |
| 287 | P | 83.5 | Confident | 78 | Confident | 15 Ų | 15 | 31.7 Ų | 31.7 | 10% | 0.097 | 16% | 0.157 | C | C | . | . | P | Polyproline II helix | trans | -66.6 | 137.6 | 167.4 | 30.7 | -35.7 | 0 | 0 | 0 | 110 | L217 E285 Y338 Y340 | L217-P287 HydrophobicContact CD2-CG 4.37Å; E285-P287 WeakPolarHBondContact O-CD 3.33Å; P287-Y338 HydrophobicContact CB-CD1 4.22Å; P287-Y338 HydrophobicContact CG-CD1 4.02Å; P287-Y340 HydrophobicContact CB-CE2 4.29Å |
| 288 | S | 78 | Confident | 79 | Confident | 63 Ų | 63 | 34.5 Ų | 34.5 | 44% | 0.441 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -80.7 | -23.9 | -176.8 | 62.6 | 0 | 0 | 0 | 0 | 113.3 | F339 Y340 | S288-F339 PolarHBondContact N-O 3.05Å; S288-Y340 VanDerWaalsContact OG-CA 3.26Å; S288-Y340 WeakPolarHBondContact OG-CA 3.31Å; S288-Y340 PolarHBondContact OG-O 3.27Å |
| 289 | M | 79.4 | Confident | 79.6 | Confident | 73 Ų | 73 | 35.8 Ų | 35.8 | 36% | 0.36 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -123.6 | 3.2 | -177.3 | -42.5 | -168.2 | 76.4 | 0 | 0 | 114.2 | Y295 R298 F339 | M289-Y295 HydrophobicContact CB-CD2 3.93Å; M289-Y295 HydrophobicContact CB-CE2 4.42Å; M289-Y295 HydrophobicContact CE-CD2 4.34Å; M289-Y295 HydrophobicContact CE-CE2 3.76Å; M289-Y295 HydrophobicContact SD-CD2 4.28Å; M289-Y295 HydrophobicContact SD-CE2 3.79Å; M289-R298 PolarHBondContact O-NH1 2.92Å; M289-F339 HydrophobicContact CB-CB 3.91Å; M289-F339 HydrophobicContact CG-CB 4.49Å; M289-F339 PolarHBondContact N-O 3.29Å; M289-F339 VanDerWaalsContact N-O 3.15Å |
| 290 | G | 81.5 | Confident | 79.5 | Confident | 9 Ų | 9 | 44.2 Ų | 44.2 | 9% | 0.093 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 92.1 | -161.8 | -178 | 0 | 0 | 0 | 0 | 0 | 113.8 | F339 | G290-F339 PolarHBondContact O-N 2.9Å |
| 291 | T | 85.2 | Confident | 79 | Confident | 3 Ų | 3 | 47.6 Ų | 47.6 | 2% | 0.018 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 164.8 | 169 | 55.5 | 0 | 0 | 0 | 0 | 112.2 | Y293 E294 Y295 I337 Y338 | T291-Y293 VanDerWaalsContact C-N 3.27Å; T291-Y293 PolarHBondContact O-N 2.83Å; T291-E294 WeakPolarHBondContact CB-OE1 3.47Å; T291-E294 PolarHBondContact N-OE1 2.87Å; T291-E294 PolarHBondContact O-N 3.04Å; T291-E294 VanDerWaalsContact OG1-CG 3.31Å; T291-E294 WeakPolarHBondContact OG1-CG 3.26Å; T291-E294 PolarHBondContact OG1-N 3.28Å; T291-E294 PolarHBondContact OG1-OE1 2.72Å; T291-Y295 WeakPolarHBondContact O-CB 3.37Å; T291-Y295 PolarHBondContact O-N 3.22Å; T291-I337 CarbonylContact C-O 3.33Å; T291-I337 VanDerWaalsContact CA-O 3.22Å; T291-I337 WeakPolarHBondContact CA-O 3.22Å; T291-Y338 HydrophobicContact CG2-CD1 4.01Å; T291-Y338 HydrophobicContact CG2-CE1 3.67Å |
| 292 | M | 86.9 | Confident | 78.6 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59 | -40.2 | 172.3 | 176.6 | 178.7 | -76.4 | 0 | 0 | 111.7 | Y295 I296 I311 P334 I337 F339 L474 M478 | M292-Y295 PolarHBondContact O-N 2.77Å; M292-I296 HydrophobicContact CG-CD1 3.65Å; M292-I296 HydrophobicContact CG-CG1 4.27Å; M292-I296 WeakPolarHBondContact O-CB 3.21Å; M292-I296 WeakPolarHBondContact O-CG1 3.37Å; M292-I296 PolarHBondContact O-N 2.76Å; M292-I296 HydrophobicContact SD-CD1 4.18Å; M292-I311 HydrophobicContact CE-CG2 3.61Å; M292-P334 HydrophobicContact CB-CB 4.27Å; M292-P334 WeakPolarHBondContact CB-O 3.41Å; M292-P334 HydrophobicContact CG-CB 4.24Å; M292-P334 PolarHBondContact N-O 2.9Å; M292-P334 HydrophobicContact SD-CB 4.36Å; M292-I337 HydrophobicContact CB-CB 4.03Å; M292-I337 HydrophobicContact CB-CG2 4.31Å; M292-I337 HydrophobicContact CE-CB 4.43Å; M292-I337 HydrophobicContact CE-CD1 3.73Å; M292-I337 HydrophobicContact CE-CG2 4.06Å; M292-I337 PolarHBondContact N-O 2.87Å; M292-I337 HydrophobicContact SD-CD1 3.99Å; M292-F339 HydrophobicContact CB-CD2 4.23Å; M292-F339 HydrophobicContact CB-CE2 3.71Å; M292-F339 HydrophobicContact CE-CE2 3.96Å; M292-F339 HydrophobicContact CE-CZ 4.27Å; M292-F339 HydrophobicContact CG-CE2 3.97Å; M292-L474 HydrophobicContact CE-CD2 3.94Å; M292-L474 HydrophobicContact SD-CD2 3.81Å; M292-L474 HydrophobicContact SD-CG 4.26Å; M292-M478 HydrophobicContact CE-CG 3.96Å; M292-M478 HydrophobicContact CE-SD 3.48Å; M292-M478 WeakPolarHBondContact CE-SD 3.46Å; M292-M478 HydrophobicContact SD-CG 3.89Å; M292-M478 HydrophobicContact SD-SD 4.22Å |
| 293 | Y | 83.1 | Confident | 78.4 | Confident | 78 Ų | 78 | 53.5 Ų | 53.5 | 31% | 0.306 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -57.3 | -53.3 | 176.7 | -171.8 | -97.4 | 0 | 0 | 0 | 111.3 | T291 Y295 I296 Q297 P334 H335 F477 | T291-Y293 VanDerWaalsContact C-N 3.27Å; T291-Y293 PolarHBondContact O-N 2.83Å; Y293-Y295 VanDerWaalsContact C-N 3.33Å; Y293-Y295 PolarHBondContact O-N 2.87Å; Y293-I296 PolarHBondContact O-N 2.76Å; Y293-Q297 HydrophobicContact CD1-CG 4.43Å; Y293-Q297 HydrophobicContact CE1-CG 4.28Å; Y293-Q297 VanDerWaalsContact CZ-NE2 3.32Å; Y293-Q297 WeakPolarHBondContact O-CB 3.33Å; Y293-Q297 WeakPolarHBondContact O-CG 3.46Å; Y293-Q297 PolarHBondContact O-N 3.37Å; Y293-Q297 PolarHBondContact OH-NE2 3.47Å; Y293-P334 HydrophobicContact CD2-CB 4.4Å; Y293-P334 PolarHBondContact N-O 3.38Å; Y293-H335 AromaticContact CD1-NE2 3.32Å; Y293-H335 VanDerWaalsContact CD1-NE2 3.32Å; Y293-H335 WeakPolarHBondContact CD1-NE2 3.46Å; Y293-H335 AromaticContact CD2-CE1 3.78Å; Y293-H335 AromaticContact CD2-NE2 3.7Å; Y293-H335 AromaticContact CE1-NE2 3.78Å; Y293-H335 AromaticContact CG-CD2 3.89Å; Y293-H335 AromaticContact CG-CE1 3.82Å; Y293-H335 AromaticContact CG-NE2 3.26Å; Y293-H335 VanDerWaalsContact CG-NE2 3.26Å; Y293-F477 HydrophobicContact CD2-CZ 4.44Å |
| 294 | E | 80.7 | Confident | 78.3 | Confident | 19 Ų | 19 | 56.2 Ų | 56.2 | 9% | 0.089 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.6 | -42.1 | 173.8 | -72.3 | 166.3 | -100.5 | 0 | 0 | 112.8 | L198 T291 Q297 R298 | L198-E294 WeakPolarHBondContact CD2-OE2 3.15Å; T291-E294 WeakPolarHBondContact CB-OE1 3.47Å; T291-E294 PolarHBondContact N-OE1 2.87Å; T291-E294 PolarHBondContact O-N 3.04Å; T291-E294 VanDerWaalsContact OG1-CG 3.31Å; T291-E294 WeakPolarHBondContact OG1-CG 3.26Å; T291-E294 PolarHBondContact OG1-N 3.28Å; T291-E294 PolarHBondContact OG1-OE1 2.72Å; E294-Q297 PolarHBondContact O-N 2.85Å; E294-R298 WeakPolarHBondContact O-CB 3.16Å; E294-R298 VanDerWaalsContact O-CG 3.24Å; E294-R298 WeakPolarHBondContact O-CG 3.24Å; E294-R298 PolarHBondContact O-N 2.91Å; E294-R298 IonicContact OE2-CZ 2.72Å; E294-R298 IonicContact OE2-NH1 3.57Å; E294-R298 PolarHBondContact OE2-NH1 3.42Å; E294-R298 IonicContact OE2-NH2 3.58Å; E294-R298 PolarHBondContact OE2-NH2 2.73Å |
| 295 | Y | 84 | Confident | 78.2 | Confident | 31 Ų | 31 | 58 Ų | 58 | 12% | 0.122 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.3 | -43.3 | -177.8 | -178.7 | -86.4 | 0 | 0 | 0 | 111.6 | M289 T291 M292 Y293 N299 L303 F339 | M289-Y295 HydrophobicContact CB-CD2 3.93Å; M289-Y295 HydrophobicContact CB-CE2 4.42Å; M289-Y295 HydrophobicContact CE-CD2 4.34Å; M289-Y295 HydrophobicContact CE-CE2 3.76Å; M289-Y295 HydrophobicContact SD-CD2 4.28Å; M289-Y295 HydrophobicContact SD-CE2 3.79Å; T291-Y295 WeakPolarHBondContact O-CB 3.37Å; T291-Y295 PolarHBondContact O-N 3.22Å; M292-Y295 PolarHBondContact O-N 2.77Å; Y293-Y295 VanDerWaalsContact C-N 3.33Å; Y293-Y295 PolarHBondContact O-N 2.87Å; Y295-N299 WeakPolarHBondContact CE2-ND2 3.39Å; Y295-N299 VanDerWaalsContact O-CB 3.29Å; Y295-N299 WeakPolarHBondContact O-CB 3.42Å; Y295-N299 PolarHBondContact O-N 2.84Å; Y295-N299 PolarHBondContact O-ND2 3.2Å; Y295-L303 HydrophobicContact CE1-CD2 4.05Å; Y295-F339 HydrophobicContact CD1-CE1 4.28Å; Y295-F339 HydrophobicContact CD1-CZ 4.21Å; Y295-F339 HydrophobicContact CD2-CD1 4.11Å; Y295-F339 HydrophobicContact CD2-CE1 4.49Å; Y295-F339 HydrophobicContact CD2-CG 4.24Å; Y295-F339 HydrophobicContact CE1-CE1 4.3Å; Y295-F339 HydrophobicContact CE2-CD1 4.24Å; Y295-F339 HydrophobicContact CE2-CE1 4.49Å; Y295-F339 HydrophobicContact CG-CD1 4.32Å; Y295-F339 HydrophobicContact CG-CD2 4.39Å; Y295-F339 HydrophobicContact CG-CE1 4.39Å; Y295-F339 HydrophobicContact CG-CE2 4.45Å; Y295-F339 HydrophobicContact CG-CG 4.33Å; Y295-F339 HydrophobicContact CG-CZ 4.44Å |
| 296 | I | 82.5 | Confident | 78.2 | Confident | 45 Ų | 45 | 58.1 Ų | 58.1 | 23% | 0.231 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -76.2 | -32 | 179.5 | -67.8 | 176.6 | 0 | 0 | 0 | 111.3 | M292 Y293 N299 L303 F477 M478 | M292-I296 HydrophobicContact CG-CD1 3.65Å; M292-I296 HydrophobicContact CG-CG1 4.27Å; M292-I296 WeakPolarHBondContact O-CB 3.21Å; M292-I296 WeakPolarHBondContact O-CG1 3.37Å; M292-I296 PolarHBondContact O-N 2.76Å; M292-I296 HydrophobicContact SD-CD1 4.18Å; Y293-I296 PolarHBondContact O-N 2.76Å; I296-N299 CarbonylContact O-C 2.94Å; I296-L303 HydrophobicContact CD1-CD1 4.08Å; I296-L303 HydrophobicContact CG1-CD1 4.44Å; I296-F477 HydrophobicContact CD1-CD1 4.05Å; I296-F477 HydrophobicContact CD1-CE1 3.8Å; I296-F477 HydrophobicContact CG2-CE1 4.45Å; I296-M478 HydrophobicContact CD1-CG 4.43Å |
| 297 | Q | 78.9 | Confident | 78.3 | Confident | 110 Ų | 110 | 55.1 Ų | 55.1 | 51% | 0.514 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.9 | -43.9 | 171.2 | -78 | -172.4 | -30.7 | 0 | 0 | 112.8 | Y293 E294 | Y293-Q297 HydrophobicContact CD1-CG 4.43Å; Y293-Q297 HydrophobicContact CE1-CG 4.28Å; Y293-Q297 VanDerWaalsContact CZ-NE2 3.32Å; Y293-Q297 WeakPolarHBondContact O-CB 3.33Å; Y293-Q297 WeakPolarHBondContact O-CG 3.46Å; Y293-Q297 PolarHBondContact O-N 3.37Å; Y293-Q297 PolarHBondContact OH-NE2 3.47Å; E294-Q297 PolarHBondContact O-N 2.85Å |
| 298 | R | 77.7 | Confident | 78.5 | Confident | 84 Ų | 84 | 54.5 Ų | 54.5 | 32% | 0.317 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -68.3 | -47 | 177.5 | -70.6 | 169.7 | -173.6 | 138.1 | 13 | 111.1 | M289 E294 K300 | M289-R298 PolarHBondContact O-NH1 2.92Å; E294-R298 WeakPolarHBondContact O-CB 3.16Å; E294-R298 VanDerWaalsContact O-CG 3.24Å; E294-R298 WeakPolarHBondContact O-CG 3.24Å; E294-R298 PolarHBondContact O-N 2.91Å; E294-R298 IonicContact OE2-CZ 2.72Å; E294-R298 IonicContact OE2-NH1 3.57Å; E294-R298 PolarHBondContact OE2-NH1 3.42Å; E294-R298 IonicContact OE2-NH2 3.58Å; E294-R298 PolarHBondContact OE2-NH2 2.73Å; R298-K300 PolarHBondContact O-N 3.09Å |
| 299 | N | 71.7 | Confident | 79 | Confident | 61 Ų | 61 | 51.6 Ų | 51.6 | 33% | 0.326 | 27% | 0.268 | S | S | . | . | trans | -95.6 | 85 | -179.2 | -57.3 | -66.7 | 0 | 0 | 0 | 110.5 | Y295 I296 S301 | Y295-N299 WeakPolarHBondContact CE2-ND2 3.39Å; Y295-N299 VanDerWaalsContact O-CB 3.29Å; Y295-N299 WeakPolarHBondContact O-CB 3.42Å; Y295-N299 PolarHBondContact O-N 2.84Å; Y295-N299 PolarHBondContact O-ND2 3.2Å; I296-N299 CarbonylContact O-C 2.94Å; N299-S301 PolarHBondContact O-N 2.84Å | ||
| 300 | K | 61.4 | Low | 79.4 | Confident | 200 Ų | 200 | 49.3 Ų | 49.3 | 87% | 0.87 | 26% | 0.258 | S | S | * | . | trans | -57.1 | -10.6 | 176.4 | -64.6 | -174.3 | 178 | -177 | 0 | 114.7 | R298 | R298-K300 PolarHBondContact O-N 3.09Š| ||
| 301 | S | 59.9 | Low | 79.9 | Confident | 92 Ų | 92 | 48.9 Ų | 48.9 | 64% | 0.643 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -72.5 | 120.7 | 168.5 | 54.4 | 0 | 0 | 0 | 0 | 111.3 | N299 L303 | N299-S301 PolarHBondContact O-N 2.84Å; S301-L303 PolarHBondContact O-N 3.45Å |
| 302 | T | 64.4 | Low | 80.3 | Confident | 104 Ų | 104 | 48.8 Ų | 48.8 | 64% | 0.638 | 25% | 0.253 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 137.1 | 171.4 | 51 | 0 | 0 | 0 | 0 | 111.8 | P480 | T302-P480 HydrophobicContact CG2-CG 4.03Š|
| 303 | L | 76.5 | Confident | 80.5 | Confident | 20 Ų | 20 | 49.4 Ų | 49.4 | 11% | 0.105 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -56.7 | 142.1 | 171 | -75 | 165.8 | 0 | 0 | 0 | 110.4 | Y295 I296 S301 S307 I311 M478 L479 | Y295-L303 HydrophobicContact CE1-CD2 4.05Å; I296-L303 HydrophobicContact CD1-CD1 4.08Å; I296-L303 HydrophobicContact CG1-CD1 4.44Å; S301-L303 PolarHBondContact O-N 3.45Å; L303-S307 WeakPolarHBondContact CB-OG 3.41Å; L303-I311 HydrophobicContact CD1-CD1 3.93Å; L303-I311 HydrophobicContact CD2-CD1 4.26Å; L303-M478 HydrophobicContact CD1-CB 4.07Å; L303-M478 HydrophobicContact CD1-CG 3.9Å; L303-M478 HydrophobicContact CD1-SD 4.02Å; L303-L479 WeakPolarHBondContact O-CD2 3.46Å |
| 304 | S | 79.3 | Confident | 81 | Confident | 59 Ų | 59 | 47.3 Ų | 47.3 | 41% | 0.413 | 25% | 0.25 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 152.6 | 172.6 | 73.5 | 0 | 0 | 0 | 0 | 110.7 | L306 S307 A308 | S304-L306 PolarHBondContact O-N 2.92Å; S304-S307 PolarHBondContact N-OG 2.94Å; S304-S307 PolarHBondContact O-N 3.4Å; S304-S307 PolarHBondContact O-OG 2.87Å; S304-S307 WeakPolarHBondContact OG-CB 3.38Å; S304-S307 PolarHBondContact OG-N 3.15Å; S304-S307 VanDerWaalsContact OG-N 3.14Å; S304-S307 PolarHBondContact OG-OG 3.18Å; S304-A308 PolarHBondContact O-N 2.96Å |
| 305 | T | 80.9 | Confident | 81.7 | Confident | 40 Ų | 40 | 46.5 Ų | 46.5 | 25% | 0.245 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -51.2 | -44.8 | 176.9 | 52.8 | 0 | 0 | 0 | 0 | 111.8 | A308 L309 L479 E532 | T305-A308 PolarHBondContact O-N 3.46Å; T305-L309 WeakPolarHBondContact O-CB 3.43Å; T305-L309 VanDerWaalsContact O-CG 3.29Å; T305-L309 WeakPolarHBondContact O-CG 3.46Å; T305-L309 PolarHBondContact O-N 3.14Å; T305-L479 HydrophobicContact CG2-CD1 4.48Å; T305-L479 HydrophobicContact CG2-CD2 4.4Å; T305-E532 PolarHBondContact OG1-OE2 3.15Å |
| 306 | L | 83.6 | Confident | 82.2 | Confident | 28 Ų | 28 | 45 Ų | 45 | 15% | 0.147 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.7 | -40.3 | 176.4 | -177.1 | 132.1 | 0 | 0 | 0 | 113.1 | S304 L309 V310 Y529 R533 E536 | S304-L306 PolarHBondContact O-N 2.92Å; L306-L309 PolarHBondContact O-N 3.07Å; L306-V310 HydrophobicContact CD2-CG2 4.4Å; L306-V310 WeakPolarHBondContact O-CG2 3.32Å; L306-V310 PolarHBondContact O-N 2.93Å; L306-Y529 HydrophobicContact CD1-CD2 4.4Å; L306-Y529 HydrophobicContact CD1-CE2 4.1Å; L306-Y529 HydrophobicContact CD2-CE2 4.49Å; L306-Y529 HydrophobicContact CG-CD2 4.33Å; L306-Y529 HydrophobicContact CG-CE2 4.1Å; L306-R533 VanDerWaalsContact CD1-CA 3.46Å; L306-R533 HydrophobicContact CD1-CB 3.55Å; L306-R533 HydrophobicContact CD1-CG 3.92Å; L306-E536 WeakPolarHBondContact CB-OE1 3.46Å |
| 307 | S | 85 | Confident | 82.6 | Confident | 24 Ų | 24 | 47.2 Ų | 47.2 | 17% | 0.168 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -67.2 | -42.1 | 176.9 | 67.5 | 0 | 0 | 0 | 0 | 112.2 | L303 S304 L309 V310 I311 | L303-S307 WeakPolarHBondContact CB-OG 3.41Å; S304-S307 PolarHBondContact N-OG 2.94Å; S304-S307 PolarHBondContact O-N 3.4Å; S304-S307 PolarHBondContact O-OG 2.87Å; S304-S307 WeakPolarHBondContact OG-CB 3.38Å; S304-S307 PolarHBondContact OG-N 3.15Å; S304-S307 VanDerWaalsContact OG-N 3.14Å; S304-S307 PolarHBondContact OG-OG 3.18Å; S307-L309 VanDerWaalsContact C-N 3.33Å; S307-L309 PolarHBondContact O-N 3.01Å; S307-V310 PolarHBondContact O-N 3.43Å; S307-I311 WeakPolarHBondContact O-CD1 3.25Å; S307-I311 VanDerWaalsContact O-CG1 3.29Å; S307-I311 WeakPolarHBondContact O-CG1 3.3Å; S307-I311 PolarHBondContact O-N 2.83Å |
| 308 | A | 87.6 | Confident | 83.3 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.008 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.1 | -40.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | S304 T305 I311 S312 M478 L479 | S304-A308 PolarHBondContact O-N 2.96Å; T305-A308 PolarHBondContact O-N 3.46Å; A308-I311 PolarHBondContact O-N 2.91Å; A308-S312 WeakPolarHBondContact O-CB 3.43Å; A308-S312 PolarHBondContact O-N 3.14Å; A308-S312 PolarHBondContact O-OG 3.44Å; A308-M478 HydrophobicContact CB-CB 4.08Å; A308-M478 HydrophobicContact CB-CE 4.08Å; A308-M478 HydrophobicContact CB-SD 4.27Å; A308-M478 WeakPolarHBondContact O-CE 3.42Å; A308-L479 HydrophobicContact CB-CD1 4Å; A308-L479 HydrophobicContact CB-CD2 3.78Å; A308-L479 HydrophobicContact CB-CG 3.79Å |
| 309 | L | 88.6 | Confident | 84.1 | Confident | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.4 | -41.6 | 173.8 | -75 | 167.4 | 0 | 0 | 0 | 112.5 | T305 L306 S307 S312 C313 L500 L525 L528 Y529 E532 | T305-L309 WeakPolarHBondContact O-CB 3.43Å; T305-L309 VanDerWaalsContact O-CG 3.29Å; T305-L309 WeakPolarHBondContact O-CG 3.46Å; T305-L309 PolarHBondContact O-N 3.14Å; L306-L309 PolarHBondContact O-N 3.07Å; S307-L309 VanDerWaalsContact C-N 3.33Å; S307-L309 PolarHBondContact O-N 3.01Å; L309-S312 PolarHBondContact O-N 3.49Å; L309-C313 WeakPolarHBondContact O-CB 3.29Å; L309-C313 PolarHBondContact O-N 3.06Å; L309-C313 PolarHBondContact O-SG 3.06Å; L309-L500 HydrophobicContact CD2-CD1 4.27Å; L309-L525 HydrophobicContact CD2-CD2 3.97Å; L309-L528 HydrophobicContact CD1-CB 4.27Å; L309-L528 HydrophobicContact CD2-CB 4.03Å; L309-Y529 HydrophobicContact CB-CD2 4.5Å; L309-E532 HydrophobicContact CD1-CB 4.18Å; L309-E532 HydrophobicContact CD1-CG 3.74Å |
| 310 | V | 88.9 | Confident | 85 | Confident | 26 Ų | 26 | 37.1 Ų | 37.1 | 16% | 0.158 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.7 | -45.3 | 174.8 | 168.2 | 0 | 0 | 0 | 0 | 111.5 | L306 S307 C313 Q314 Y529 | L306-V310 HydrophobicContact CD2-CG2 4.4Å; L306-V310 WeakPolarHBondContact O-CG2 3.32Å; L306-V310 PolarHBondContact O-N 2.93Å; S307-V310 PolarHBondContact O-N 3.43Å; V310-C313 PolarHBondContact O-N 3.49Å; V310-Q314 WeakPolarHBondContact O-CG 3.24Å; V310-Q314 PolarHBondContact O-N 3.16Å; V310-Q314 VanDerWaalsContact O-N 3.15Å; V310-Y529 HydrophobicContact CG2-CD2 3.8Å; V310-Y529 HydrophobicContact CG2-CE2 3.31Å |
| 311 | I | 91.8 | Very high | 86.4 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62 | -46.1 | 176.8 | -68.9 | 159.1 | 0 | 0 | 0 | 110.2 | M292 L303 S307 A308 C313 Q314 I315 F339 V345 M478 | M292-I311 HydrophobicContact CE-CG2 3.61Å; L303-I311 HydrophobicContact CD1-CD1 3.93Å; L303-I311 HydrophobicContact CD2-CD1 4.26Å; S307-I311 WeakPolarHBondContact O-CD1 3.25Å; S307-I311 VanDerWaalsContact O-CG1 3.29Å; S307-I311 WeakPolarHBondContact O-CG1 3.3Å; S307-I311 PolarHBondContact O-N 2.83Å; A308-I311 PolarHBondContact O-N 2.91Å; I311-C313 PolarHBondContact O-N 3.01Å; I311-Q314 PolarHBondContact O-N 3.24Å; I311-I315 HydrophobicContact CG2-CD1 3.68Å; I311-I315 WeakPolarHBondContact O-CD1 3.31Å; I311-I315 WeakPolarHBondContact O-CG1 3.38Å; I311-I315 PolarHBondContact O-N 2.7Å; I311-I315 VanDerWaalsContact O-N 3.12Å; I311-F339 HydrophobicContact CD1-CE1 4.09Å; I311-F339 HydrophobicContact CD1-CZ 3.73Å; I311-F339 HydrophobicContact CG1-CZ 4.38Å; I311-V345 HydrophobicContact CG1-CG1 4.18Å; I311-V345 HydrophobicContact CG2-CG1 4.18Å; I311-V345 HydrophobicContact CG2-CG2 4.14Å; I311-M478 HydrophobicContact CB-CE 4.47Å; I311-M478 HydrophobicContact CB-SD 4Å; I311-M478 HydrophobicContact CD1-SD 4.05Å; I311-M478 HydrophobicContact CG2-CE 4.19Å; I311-M478 HydrophobicContact CG2-SD 3.61Å |
| 312 | S | 92.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.2 | -44.7 | 178.1 | -55.3 | 0 | 0 | 0 | 0 | 112.1 | A308 L309 Q314 I315 S316 I475 M478 | A308-S312 WeakPolarHBondContact O-CB 3.43Å; A308-S312 PolarHBondContact O-N 3.14Å; A308-S312 PolarHBondContact O-OG 3.44Å; L309-S312 PolarHBondContact O-N 3.49Å; S312-Q314 VanDerWaalsContact C-N 3.34Å; S312-Q314 PolarHBondContact O-N 3.1Å; S312-I315 PolarHBondContact O-N 3.24Å; S312-S316 WeakPolarHBondContact O-CB 3.44Å; S312-S316 PolarHBondContact O-N 3.33Å; S312-S316 PolarHBondContact O-OG 2.99Å; S312-S316 VanDerWaalsContact O-OG 3.04Å; S312-I475 WeakPolarHBondContact OG-CG1 3.34Å; S312-M478 WeakPolarHBondContact OG-CE 3.47Å |
| 313 | C | 92.2 | Very high | 89.1 | Confident | 14 Ų | 14 | 22.6 Ų | 22.6 | 10% | 0.095 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.1 | -36.5 | 176.8 | -72.1 | 0 | 0 | 0 | 0 | 113 | L309 V310 I311 S316 E317 | L309-C313 WeakPolarHBondContact O-CB 3.29Å; L309-C313 PolarHBondContact O-N 3.06Å; L309-C313 PolarHBondContact O-SG 3.06Å; V310-C313 PolarHBondContact O-N 3.49Å; I311-C313 PolarHBondContact O-N 3.01Å; C313-S316 VanDerWaalsContact CA-OG 3.24Å; C313-S316 WeakPolarHBondContact CA-OG 3.22Å; C313-S316 PolarHBondContact O-OG 2.61Å; C313-E317 WeakPolarHBondContact O-CB 3.33Å; C313-E317 VanDerWaalsContact O-CG 3.25Å; C313-E317 WeakPolarHBondContact O-CG 3.43Å; C313-E317 PolarHBondContact O-N 2.87Å; C313-E317 VanDerWaalsContact O-N 3.08Å |
| 314 | Q | 92.7 | Very high | 89.5 | Confident | 34 Ų | 34 | 25.6 Ų | 25.6 | 16% | 0.159 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -71 | -34.7 | 177.3 | -72.6 | 173.6 | 23.4 | 0 | 0 | 112.2 | N255 V310 I311 S312 A318 D343 V345 | N255-Q314 WeakPolarHBondContact CB-O 3.18Å; N255-Q314 WeakPolarHBondContact ND2-CA 3.32Å; N255-Q314 PolarHBondContact ND2-O 3.15Å; V310-Q314 WeakPolarHBondContact O-CG 3.24Å; V310-Q314 PolarHBondContact O-N 3.16Å; V310-Q314 VanDerWaalsContact O-N 3.15Å; I311-Q314 PolarHBondContact O-N 3.24Å; S312-Q314 VanDerWaalsContact C-N 3.34Å; S312-Q314 PolarHBondContact O-N 3.1Å; Q314-A318 PolarHBondContact O-N 2.76Å; Q314-D343 PolarHBondContact NE2-O 2.92Å; Q314-V345 HydrophobicContact CB-CG2 3.84Å |
| 315 | I | 94.7 | Very high | 89.6 | Confident | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -74.6 | -43.1 | 177 | -60.3 | 157.4 | 0 | 0 | 0 | 110.4 | I311 S312 E317 A318 L319 I337 V345 L347 L471 L474 | I311-I315 HydrophobicContact CG2-CD1 3.68Å; I311-I315 WeakPolarHBondContact O-CD1 3.31Å; I311-I315 WeakPolarHBondContact O-CG1 3.38Å; I311-I315 PolarHBondContact O-N 2.7Å; I311-I315 VanDerWaalsContact O-N 3.12Å; S312-I315 PolarHBondContact O-N 3.24Å; I315-E317 VanDerWaalsContact C-N 3.3Å; I315-E317 PolarHBondContact O-N 2.86Å; I315-A318 WeakPolarHBondContact O-CB 3.37Å; I315-A318 PolarHBondContact O-N 3.09Å; I315-A318 VanDerWaalsContact O-N 3.08Å; I315-L319 HydrophobicContact CG2-CD1 3.92Å; I315-L319 HydrophobicContact CG2-CG 4.26Å; I315-L319 WeakPolarHBondContact O-CG 3.4Å; I315-L319 PolarHBondContact O-N 3.05Å; I315-I337 HydrophobicContact CD1-CD1 3.49Å; I315-I337 VanDerWaalsContact CD1-CD1 3.49Å; I315-I337 HydrophobicContact CD1-CG1 4.07Å; I315-I337 HydrophobicContact CG1-CD1 4.43Å; I315-V345 HydrophobicContact CG1-CG2 4.22Å; I315-L347 HydrophobicContact CG2-CD2 4.49Å; I315-L471 HydrophobicContact CB-CD1 4.14Å; I315-L471 HydrophobicContact CD1-CD1 4.25Å; I315-L471 HydrophobicContact CG2-CD1 3.85Å; I315-L471 HydrophobicContact CG2-CD2 4.38Å; I315-L474 HydrophobicContact CD1-CD2 4.2Å |
| 316 | S | 94.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.1 | -34.2 | 176 | 56.9 | 0 | 0 | 0 | 0 | 112.8 | S312 C313 L320 N522 | S312-S316 WeakPolarHBondContact O-CB 3.44Å; S312-S316 PolarHBondContact O-N 3.33Å; S312-S316 PolarHBondContact O-OG 2.99Å; S312-S316 VanDerWaalsContact O-OG 3.04Å; C313-S316 VanDerWaalsContact CA-OG 3.24Å; C313-S316 WeakPolarHBondContact CA-OG 3.22Å; C313-S316 PolarHBondContact O-OG 2.61Å; S316-L320 WeakPolarHBondContact O-CB 3.49Å; S316-L320 VanDerWaalsContact O-CG 3.27Å; S316-L320 WeakPolarHBondContact O-CG 3.46Å; S316-L320 PolarHBondContact O-N 2.9Å; S316-N522 WeakPolarHBondContact CB-OD1 3.09Å; S316-N522 PolarHBondContact OG-OD1 2.84Å |
| 317 | E | 92.2 | Very high | 89.8 | Confident | 90 Ų | 90 | 23 Ų | 23 | 42% | 0.421 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -61.5 | -45.8 | 168.4 | -78 | 171.7 | 175 | 0 | 0 | 112.2 | N255 C313 I315 L320 F321 | N255-E317 PolarHBondContact ND2-OE2 3.06Å; C313-E317 WeakPolarHBondContact O-CB 3.33Å; C313-E317 VanDerWaalsContact O-CG 3.25Å; C313-E317 WeakPolarHBondContact O-CG 3.43Å; C313-E317 PolarHBondContact O-N 2.87Å; C313-E317 VanDerWaalsContact O-N 3.08Å; I315-E317 VanDerWaalsContact C-N 3.3Å; I315-E317 PolarHBondContact O-N 2.86Å; E317-L320 PolarHBondContact O-N 3.45Å; E317-F321 PolarHBondContact O-N 2.93Å; E317-F321 VanDerWaalsContact O-N 3.12Å |
| 318 | A | 93.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.2 | -41.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | N255 I256 Q314 I315 F321 L322 L347 | N255-A318 HydrophobicContact CB-CB 4.14Å; I256-A318 HydrophobicContact CD1-CB 4.3Å; I256-A318 HydrophobicContact CG1-CB 3.98Å; Q314-A318 PolarHBondContact O-N 2.76Å; I315-A318 WeakPolarHBondContact O-CB 3.37Å; I315-A318 PolarHBondContact O-N 3.09Å; I315-A318 VanDerWaalsContact O-N 3.08Å; A318-F321 WeakPolarHBondContact O-CB 3.49Å; A318-F321 PolarHBondContact O-N 3.19Å; A318-L322 WeakPolarHBondContact O-CG 3.37Å; A318-L322 PolarHBondContact O-N 3.36Å; A318-L322 VanDerWaalsContact O-N 3.07Å; A318-L347 HydrophobicContact CB-CB 4.37Å; A318-L347 HydrophobicContact CB-CD2 4.02Å |
| 319 | L | 94.3 | Very high | 90 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -67.5 | -41.4 | 177.3 | -66.4 | 171.1 | 0 | 0 | 0 | 111.6 | I315 F321 L322 H323 H329 I332 L347 D467 L471 M518 | I315-L319 HydrophobicContact CG2-CD1 3.92Å; I315-L319 HydrophobicContact CG2-CG 4.26Å; I315-L319 WeakPolarHBondContact O-CG 3.4Å; I315-L319 PolarHBondContact O-N 3.05Å; L319-F321 VanDerWaalsContact C-N 3.26Å; L319-F321 PolarHBondContact O-N 2.85Å; L319-L322 HydrophobicContact CD2-CD1 4.39Å; L319-L322 PolarHBondContact O-N 3.32Å; L319-H323 WeakPolarHBondContact O-CB 3.26Å; L319-H323 PolarHBondContact O-CD2 3.35Å; L319-H323 PolarHBondContact O-N 3.06Å; L319-H329 HydrophobicContact CD2-CB 3.93Å; L319-I332 HydrophobicContact CD1-CD1 3.6Å; L319-I332 HydrophobicContact CD1-CG1 4.49Å; L319-I332 HydrophobicContact CD2-CD1 3.68Å; L319-I332 HydrophobicContact CD2-CG1 4.13Å; L319-I332 HydrophobicContact CG-CD1 4.28Å; L319-L347 HydrophobicContact CD2-CD2 3.83Å; L319-L347 HydrophobicContact CG-CD2 4.24Å; L319-D467 HydrophobicContact CD1-CB 4.41Å; L319-D467 HydrophobicContact CD2-CB 4.4Å; L319-L471 HydrophobicContact CD1-CD2 4.02Å; L319-M518 HydrophobicContact CB-CG 4.49Å; L319-M518 HydrophobicContact CB-SD 3.96Å; L319-M518 HydrophobicContact CD1-SD 4.11Å |
| 320 | L | 91.1 | Very high | 89.7 | Confident | 43 Ų | 43 | 21.8 Ų | 21.8 | 23% | 0.225 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.3 | -35.2 | 173.3 | -77.8 | 169.3 | 0 | 0 | 0 | 112.7 | S316 E317 S324 M518 R519 N522 | S316-L320 WeakPolarHBondContact O-CB 3.49Å; S316-L320 VanDerWaalsContact O-CG 3.27Å; S316-L320 WeakPolarHBondContact O-CG 3.46Å; S316-L320 PolarHBondContact O-N 2.9Å; E317-L320 PolarHBondContact O-N 3.45Å; L320-S324 VanDerWaalsContact O-CB 3.31Å; L320-S324 WeakPolarHBondContact O-CB 3.5Å; L320-S324 PolarHBondContact O-N 3.41Å; L320-S324 PolarHBondContact O-OG 3.11Å; L320-M518 HydrophobicContact CD2-CB 4.08Å; L320-M518 HydrophobicContact CD2-CG 3.68Å; L320-M518 HydrophobicContact CG-CG 3.85Å; L320-R519 HydrophobicContact CD2-CG 3.82Å; L320-N522 HydrophobicContact CD1-CB 3.8Å; L320-N522 WeakPolarHBondContact CD1-ND2 3.2Å |
| 321 | F | 89.6 | Confident | 89.3 | Confident | 68 Ų | 68 | 20.8 Ų | 20.8 | 30% | 0.298 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -65.5 | -48.4 | 173.7 | -174.8 | -91.1 | 0 | 0 | 0 | 111.9 | V251 H253 E317 A318 L319 S324 S325 | V251-F321 HydrophobicContact CG1-CD1 4.26Å; V251-F321 HydrophobicContact CG1-CE1 4.04Å; H253-F321 HydrophobicContact CB-CD1 4.05Å; H253-F321 HydrophobicContact CB-CE1 4.31Å; H253-F321 HydrophobicContact CB-CG 4.26Å; H253-F321 AromaticContact CD2-CD2 3.68Å; H253-F321 AromaticContact CD2-CG 3.68Å; E317-F321 PolarHBondContact O-N 2.93Å; E317-F321 VanDerWaalsContact O-N 3.12Å; A318-F321 WeakPolarHBondContact O-CB 3.49Å; A318-F321 PolarHBondContact O-N 3.19Å; L319-F321 VanDerWaalsContact C-N 3.26Å; L319-F321 PolarHBondContact O-N 2.85Å; F321-S324 PolarHBondContact O-N 3.44Å; F321-S324 PolarHBondContact O-OG 3.39Å; F321-S325 PolarHBondContact O-N 3Å; F321-S325 PolarHBondContact O-OG 3.23Å |
| 322 | L | 90.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.4 | -48.6 | 176 | -70 | 166.2 | 0 | 0 | 0 | 111.7 | V247 V251 I256 A318 L319 S324 S325 G326 I327 L347 F350 | V247-L322 HydrophobicContact CG1-CD2 4.49Å; V251-L322 HydrophobicContact CG1-CD2 3.98Å; V251-L322 HydrophobicContact CG2-CD2 3.87Å; I256-L322 HydrophobicContact CD1-CD1 4.14Å; I256-L322 HydrophobicContact CD1-CD2 4.17Å; I256-L322 HydrophobicContact CD1-CG 4.02Å; A318-L322 WeakPolarHBondContact O-CG 3.37Å; A318-L322 PolarHBondContact O-N 3.36Å; A318-L322 VanDerWaalsContact O-N 3.07Å; L319-L322 HydrophobicContact CD2-CD1 4.39Å; L319-L322 PolarHBondContact O-N 3.32Å; L322-S324 VanDerWaalsContact C-N 3.28Å; L322-S324 PolarHBondContact O-N 3.01Å; L322-S325 CarbonylContact O-C 3.54Å; L322-S325 WeakPolarHBondContact O-CA 3.29Å; L322-S325 WeakPolarHBondContact O-CB 3.41Å; L322-S325 PolarHBondContact O-N 3.28Å; L322-G326 PolarHBondContact O-N 3.07Å; L322-I327 CarbonylContact C-O 3.58Å; L322-I327 HydrophobicContact CB-CB 4.3Å; L322-I327 HydrophobicContact CD2-CB 4.32Å; L322-I327 HydrophobicContact CD2-CD1 4.39Å; L322-I327 HydrophobicContact CD2-CG2 4.3Å; L322-I327 PolarHBondContact O-N 2.63Å; L322-L347 HydrophobicContact CD1-CD2 4.25Å; L322-F350 HydrophobicContact CD1-CE1 3.95Å |
| 323 | H | 90.5 | Very high | 88.8 | Confident | 23 Ų | 23 | 21.2 Ų | 21.2 | 11% | 0.106 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.4 | -36.7 | 177.9 | -66 | -176.4 | 0 | 0 | 0 | 111.6 | L319 S325 G326 I327 T464 D467 M518 | L319-H323 WeakPolarHBondContact O-CB 3.26Å; L319-H323 PolarHBondContact O-CD2 3.35Å; L319-H323 PolarHBondContact O-N 3.06Å; H323-S325 PolarHBondContact O-N 3.45Å; H323-G326 PolarHBondContact O-N 3.31Å; H323-G326 VanDerWaalsContact O-N 3.16Å; H323-I327 PolarHBondContact CD2-O 3.33Å; H323-I327 PolarHBondContact N-O 2.73Å; H323-T464 HydrophobicContact CB-CG2 4.05Å; H323-T464 PolarHBondContact CE1-O 2.97Å; H323-T464 WeakPolarHBondContact ND1-CB 3.45Å; H323-D467 IonicContact CD2-OD2 2.69Å; H323-D467 IonicContact CE1-OD2 3.53Å; H323-D467 IonicContact NE2-OD2 2.73Å; H323-D467 PolarHBondContact NE2-OD2 3.38Å; H323-M518 WeakPolarHBondContact ND1-CG 3.3Å |
| 324 | S | 85.3 | Confident | 88.5 | Confident | 83 Ų | 83 | 20.6 Ų | 20.6 | 58% | 0.58 | 12% | 0.116 | S | C | * | . | H | α-helix | trans | -68.9 | -20 | 174.8 | 75.8 | 0 | 0 | 0 | 0 | 113.9 | L320 F321 L322 | L320-S324 VanDerWaalsContact O-CB 3.31Å; L320-S324 WeakPolarHBondContact O-CB 3.5Å; L320-S324 PolarHBondContact O-N 3.41Å; L320-S324 PolarHBondContact O-OG 3.11Å; F321-S324 PolarHBondContact O-N 3.44Å; F321-S324 PolarHBondContact O-OG 3.39Å; L322-S324 VanDerWaalsContact C-N 3.28Å; L322-S324 PolarHBondContact O-N 3.01Å |
| 325 | S | 81.4 | Confident | 88.1 | Confident | 61 Ų | 61 | 21.6 Ų | 21.6 | 43% | 0.427 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 4.8 | 174.3 | -53.9 | 0 | 0 | 0 | 0 | 112.9 | F321 L322 H323 | F321-S325 PolarHBondContact O-N 3Å; F321-S325 PolarHBondContact O-OG 3.23Å; L322-S325 CarbonylContact O-C 3.54Å; L322-S325 WeakPolarHBondContact O-CA 3.29Å; L322-S325 WeakPolarHBondContact O-CB 3.41Å; L322-S325 PolarHBondContact O-N 3.28Å; H323-S325 PolarHBondContact O-N 3.45Å |
| 326 | G | 83.1 | Confident | 87.8 | Confident | 8 Ų | 8 | 21.5 Ų | 21.5 | 8% | 0.082 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.8 | 21.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | L322 H323 F355 I356 | L322-G326 PolarHBondContact O-N 3.07Å; H323-G326 PolarHBondContact O-N 3.31Å; H323-G326 VanDerWaalsContact O-N 3.16Å; G326-F355 CarbonylContact O-C 3.56Å; G326-F355 WeakPolarHBondContact O-CA 3.34Å; G326-I356 PolarHBondContact O-N 3.27Å |
| 327 | I | 86.1 | Confident | 87.6 | Confident | 4 Ų | 4 | 21.5 Ų | 21.5 | 2% | 0.021 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 127.4 | -177.8 | -50.9 | 177.8 | 0 | 0 | 0 | 109.5 | V247 V251 L322 H323 C353 Q354 F355 | V247-I327 HydrophobicContact CG1-CD1 4.22Å; V247-I327 HydrophobicContact CG1-CG2 4.47Å; V247-I327 HydrophobicContact CG2-CG2 4.46Å; V251-I327 HydrophobicContact CG2-CD1 3.98Å; L322-I327 CarbonylContact C-O 3.58Å; L322-I327 HydrophobicContact CB-CB 4.3Å; L322-I327 HydrophobicContact CD2-CB 4.32Å; L322-I327 HydrophobicContact CD2-CD1 4.39Å; L322-I327 HydrophobicContact CD2-CG2 4.3Å; L322-I327 PolarHBondContact O-N 2.63Å; H323-I327 PolarHBondContact CD2-O 3.33Å; H323-I327 PolarHBondContact N-O 2.73Å; I327-C353 HydrophobicContact CG2-CB 3.94Å; I327-Q354 WeakPolarHBondContact CA-O 3.35Å; I327-F355 HydrophobicContact CD1-CD1 4.43Å; I327-F355 HydrophobicContact CD1-CE1 3.7Å; I327-F355 HydrophobicContact CD1-CZ 4.18Å; I327-F355 HydrophobicContact CG1-CD1 3.82Å; I327-F355 HydrophobicContact CG1-CE1 3.59Å; I327-F355 HydrophobicContact CG1-CZ 4.37Å |
| 328 | V | 87.8 | Confident | 87.5 | Confident | 1 Ų | 1 | 17.5 Ų | 17.5 | 1% | 0.006 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 138.5 | 169.9 | 174.6 | 0 | 0 | 0 | 0 | 109 | C353 Q354 I356 C463 T464 D467 | V328-C353 WeakPolarHBondContact O-CA 3.33Å; V328-Q354 PolarHBondContact N-O 2.68Å; V328-Q354 PolarHBondContact O-N 2.97Å; V328-I356 HydrophobicContact CB-CD1 4.15Å; V328-I356 HydrophobicContact CG2-CD1 3.39Å; V328-I356 HydrophobicContact CG2-CG1 4.2Å; V328-C463 WeakPolarHBondContact CG1-O 3.44Å; V328-T464 HydrophobicContact CG2-CG2 3.97Å; V328-D467 WeakPolarHBondContact CG1-OD2 3.39Å |
| 329 | H | 88.8 | Confident | 87.3 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.102 | C | C | . | . | trans | -77.6 | -39.1 | -167.5 | -164.5 | -48.5 | 0 | 0 | 0 | 113.4 | L319 G331 I332 L347 G348 N349 F350 D467 | L319-H329 HydrophobicContact CD2-CB 3.93Å; H329-G331 PolarHBondContact O-N 2.96Å; H329-I332 HydrophobicContact CB-CD1 4.37Å; H329-I332 HydrophobicContact CB-CG1 4.09Å; H329-L347 WeakPolarHBondContact NE2-CG 3.43Å; H329-G348 PolarHBondContact CE1-O 3.32Å; H329-G348 PolarHBondContact NE2-O 3.26Å; H329-N349 PolarHBondContact CE1-O 3.01Å; H329-F350 AromaticContact CD2-CD1 3.91Å; H329-F350 AromaticContact CD2-CE1 3.68Å; H329-F350 AromaticContact NE2-CD1 3.66Å; H329-F350 AromaticContact NE2-CE1 3.52Å; H329-D467 PolarHBondContact N-OD1 3.23Å; H329-D467 PolarHBondContact N-OD2 3.11Å | ||
| 330 | C | 83.5 | Confident | 86.8 | Confident | 1 Ų | 1 | 18.7 Ų | 18.7 | 1% | 0.007 | 11% | 0.106 | C | C | . | . | S | Bend | trans | 56.8 | 17.4 | 176.8 | -48.6 | 0 | 0 | 0 | 0 | 115.1 | L411 L431 D467 | C330-L411 HydrophobicContact CB-CD1 4.05Å; C330-L431 HydrophobicContact CB-CD1 4.18Å; C330-D467 PolarHBondContact N-OD1 3.16Å |
| 331 | G | 79.2 | Confident | 86.3 | Confident | 4 Ų | 4 | 17.6 Ų | 17.6 | 4% | 0.041 | 10% | 0.104 | C | C | . | . | trans | -157.7 | 24 | -167.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | H329 T333 | H329-G331 PolarHBondContact O-N 2.96Å; G331-T333 PolarHBondContact O-N 3.4Å; G331-T333 VanDerWaalsContact O-N 3.09Å | ||
| 332 | I | 88.8 | Confident | 85.6 | Confident | 1 Ų | 1 | 16.8 Ų | 16.8 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | trans | -73 | 103.4 | -177.3 | -61.4 | 153.7 | 0 | 0 | 0 | 109.4 | L319 H329 D467 L474 | L319-I332 HydrophobicContact CD1-CD1 3.6Å; L319-I332 HydrophobicContact CD1-CG1 4.49Å; L319-I332 HydrophobicContact CD2-CD1 3.68Å; L319-I332 HydrophobicContact CD2-CG1 4.13Å; L319-I332 HydrophobicContact CG-CD1 4.28Å; H329-I332 HydrophobicContact CB-CD1 4.37Å; H329-I332 HydrophobicContact CB-CG1 4.09Å; I332-D467 HydrophobicContact CD1-CB 3.56Å; I332-D467 WeakPolarHBondContact CD1-O 3.5Å; I332-D467 WeakPolarHBondContact CD1-OD1 3.34Å; I332-L474 HydrophobicContact CG2-CD1 4.07Å | ||
| 333 | T | 86 | Confident | 85 | Confident | 8 Ų | 8 | 21.4 Ų | 21.4 | 5% | 0.049 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -135.2 | 166.5 | 179.9 | 65 | 0 | 0 | 0 | 0 | 111.2 | G331 H335 A336 L423 W426 L474 | G331-T333 PolarHBondContact O-N 3.4Å; G331-T333 VanDerWaalsContact O-N 3.09Å; T333-H335 PolarHBondContact O-N 3.42Å; T333-H335 PolarHBondContact OG1-N 3.4Å; T333-A336 WeakPolarHBondContact O-CB 3.21Å; T333-A336 PolarHBondContact O-N 2.93Å; T333-A336 PolarHBondContact OG1-N 3.24Å; T333-L423 HydrophobicContact CG2-CD2 3.94Å; T333-W426 HydrophobicContact CG2-CB 4.22Å; T333-W426 HydrophobicContact CG2-CD2 4.4Å; T333-W426 HydrophobicContact CG2-CG 3.81Å; T333-L474 VanDerWaalsContact C-CD1 3.48Å |
| 334 | P | 86.3 | Confident | 84.7 | Confident | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -12.7 | 169.8 | -26.1 | 36.9 | 0 | 0 | 0 | 114.8 | M292 Y293 W426 L474 F477 | M292-P334 HydrophobicContact CB-CB 4.27Å; M292-P334 WeakPolarHBondContact CB-O 3.41Å; M292-P334 HydrophobicContact CG-CB 4.24Å; M292-P334 PolarHBondContact N-O 2.9Å; M292-P334 HydrophobicContact SD-CB 4.36Å; Y293-P334 HydrophobicContact CD2-CB 4.4Å; Y293-P334 PolarHBondContact N-O 3.38Å; P334-W426 VanDerWaalsContact CD-CH2 3.44Å; P334-W426 HydrophobicContact CG-CH2 3.38Å; P334-W426 HydrophobicContact CG-CZ2 3.58Å; P334-W426 HydrophobicContact CG-CZ3 4.05Å; P334-L474 HydrophobicContact CG-CD1 4.27Å; P334-F477 HydrophobicContact CB-CD1 4.26Å; P334-F477 HydrophobicContact CB-CE1 3.82Å; P334-F477 HydrophobicContact CB-CZ 4.42Å; P334-F477 HydrophobicContact CG-CD1 3.59Å; P334-F477 HydrophobicContact CG-CE1 3.55Å; P334-F477 HydrophobicContact CG-CG 4.16Å; P334-F477 HydrophobicContact CG-CZ 4.11Å |
| 335 | H | 83.1 | Confident | 85 | Confident | 56 Ų | 56 | 20.9 Ų | 20.9 | 26% | 0.259 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -17.5 | 172.8 | -63.7 | 114.1 | 0 | 0 | 0 | 113.6 | Y293 T333 N349 | Y293-H335 AromaticContact CD1-NE2 3.32Å; Y293-H335 VanDerWaalsContact CD1-NE2 3.32Å; Y293-H335 WeakPolarHBondContact CD1-NE2 3.46Å; Y293-H335 AromaticContact CD2-CE1 3.78Å; Y293-H335 AromaticContact CD2-NE2 3.7Å; Y293-H335 AromaticContact CE1-NE2 3.78Å; Y293-H335 AromaticContact CG-CD2 3.89Å; Y293-H335 AromaticContact CG-CE1 3.82Å; Y293-H335 AromaticContact CG-NE2 3.26Å; Y293-H335 VanDerWaalsContact CG-NE2 3.26Å; T333-H335 PolarHBondContact O-N 3.42Å; T333-H335 PolarHBondContact OG1-N 3.4Å; H335-N349 PolarHBondContact O-ND2 3.27Å |
| 336 | A | 88.1 | Confident | 85.6 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -13.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | T333 Y338 L347 G348 N349 | T333-A336 WeakPolarHBondContact O-CB 3.21Å; T333-A336 PolarHBondContact O-N 2.93Å; T333-A336 PolarHBondContact OG1-N 3.24Å; A336-Y338 WeakPolarHBondContact O-CD2 3.41Å; A336-L347 HydrophobicContact CB-CD1 4.21Å; A336-L347 CarbonylContact O-C 3.59Å; A336-G348 VanDerWaalsContact CB-O 3.32Å; A336-G348 WeakPolarHBondContact CB-O 3.4Å; A336-G348 PolarHBondContact O-N 2.81Å; A336-N349 HydrophobicContact CB-CB 4.45Å |
| 337 | I | 90.9 | Very high | 86 | Confident | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 128 | -175.6 | -58.3 | 160.6 | 0 | 0 | 0 | 110.3 | T291 M292 I315 F339 V345 K346 L347 L474 | T291-I337 CarbonylContact C-O 3.33Å; T291-I337 VanDerWaalsContact CA-O 3.22Å; T291-I337 WeakPolarHBondContact CA-O 3.22Å; M292-I337 HydrophobicContact CB-CB 4.03Å; M292-I337 HydrophobicContact CB-CG2 4.31Å; M292-I337 HydrophobicContact CE-CB 4.43Å; M292-I337 HydrophobicContact CE-CD1 3.73Å; M292-I337 HydrophobicContact CE-CG2 4.06Å; M292-I337 PolarHBondContact N-O 2.87Å; M292-I337 HydrophobicContact SD-CD1 3.99Å; I315-I337 HydrophobicContact CD1-CD1 3.49Å; I315-I337 VanDerWaalsContact CD1-CD1 3.49Å; I315-I337 HydrophobicContact CD1-CG1 4.07Å; I315-I337 HydrophobicContact CG1-CD1 4.43Å; I337-F339 HydrophobicContact CG2-CE2 4.48Å; I337-V345 HydrophobicContact CG2-CB 3.72Å; I337-V345 HydrophobicContact CG2-CG1 3.81Å; I337-V345 HydrophobicContact CG2-CG2 4.35Å; I337-K346 WeakPolarHBondContact CA-O 3.41Å; I337-L347 HydrophobicContact CG1-CD1 4.42Å; I337-L474 HydrophobicContact CD1-CD1 3.43Å; I337-L474 VanDerWaalsContact CD1-CD1 3.43Å; I337-L474 HydrophobicContact CD1-CD2 3.41Å; I337-L474 VanDerWaalsContact CD1-CD2 3.41Å; I337-L474 HydrophobicContact CD1-CG 4.03Å |
| 338 | Y | 90.1 | Very high | 86.1 | Confident | 5 Ų | 5 | 18.6 Ų | 18.6 | 2% | 0.02 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 125.1 | -173.7 | -68.4 | -85.3 | 0 | 0 | 0 | 111.2 | R206 L217 I257 P287 T291 A336 V345 K346 N349 | R206-Y338 PolarHBondContact NH1-OH 2.96Å; R206-Y338 VanDerWaalsContact NH1-OH 3.11Å; R206-Y338 PolarHBondContact NH2-OH 3.2Å; L217-Y338 HydrophobicContact CD2-CE1 4.28Å; I257-Y338 HydrophobicContact CD1-CD1 4.38Å; I257-Y338 HydrophobicContact CD1-CD2 4.09Å; I257-Y338 HydrophobicContact CD1-CE2 4.3Å; I257-Y338 HydrophobicContact CD1-CG 4.14Å; P287-Y338 HydrophobicContact CB-CD1 4.22Å; P287-Y338 HydrophobicContact CG-CD1 4.02Å; T291-Y338 HydrophobicContact CG2-CD1 4.01Å; T291-Y338 HydrophobicContact CG2-CE1 3.67Å; A336-Y338 WeakPolarHBondContact O-CD2 3.41Å; Y338-V345 CarbonylContact O-C 3.53Å; Y338-V345 VanDerWaalsContact O-CA 3.3Å; Y338-V345 WeakPolarHBondContact O-CA 3.41Å; Y338-K346 PolarHBondContact N-O 2.87Å; Y338-K346 PolarHBondContact O-N 3.01Å; Y338-N349 PolarHBondContact OH-OD1 2.87Å |
| 339 | F | 88.1 | Confident | 85.9 | Confident | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 126.8 | -177.3 | -87.4 | -104.5 | 0 | 0 | 0 | 112.8 | S288 M289 G290 M292 Y295 I311 I337 A341 V345 | S288-F339 PolarHBondContact N-O 3.05Å; M289-F339 HydrophobicContact CB-CB 3.91Å; M289-F339 HydrophobicContact CG-CB 4.49Å; M289-F339 PolarHBondContact N-O 3.29Å; M289-F339 VanDerWaalsContact N-O 3.15Å; G290-F339 PolarHBondContact O-N 2.9Å; M292-F339 HydrophobicContact CB-CD2 4.23Å; M292-F339 HydrophobicContact CB-CE2 3.71Å; M292-F339 HydrophobicContact CE-CE2 3.96Å; M292-F339 HydrophobicContact CE-CZ 4.27Å; M292-F339 HydrophobicContact CG-CE2 3.97Å; Y295-F339 HydrophobicContact CD1-CE1 4.28Å; Y295-F339 HydrophobicContact CD1-CZ 4.21Å; Y295-F339 HydrophobicContact CD2-CD1 4.11Å; Y295-F339 HydrophobicContact CD2-CE1 4.49Å; Y295-F339 HydrophobicContact CD2-CG 4.24Å; Y295-F339 HydrophobicContact CE1-CE1 4.3Å; Y295-F339 HydrophobicContact CE2-CD1 4.24Å; Y295-F339 HydrophobicContact CE2-CE1 4.49Å; Y295-F339 HydrophobicContact CG-CD1 4.32Å; Y295-F339 HydrophobicContact CG-CD2 4.39Å; Y295-F339 HydrophobicContact CG-CE1 4.39Å; Y295-F339 HydrophobicContact CG-CE2 4.45Å; Y295-F339 HydrophobicContact CG-CG 4.33Å; Y295-F339 HydrophobicContact CG-CZ 4.44Å; I311-F339 HydrophobicContact CD1-CE1 4.09Å; I311-F339 HydrophobicContact CD1-CZ 3.73Å; I311-F339 HydrophobicContact CG1-CZ 4.38Å; I337-F339 HydrophobicContact CG2-CE2 4.48Å; F339-A341 WeakPolarHBondContact CD1-O 3.41Å; F339-V345 HydrophobicContact CD1-CG1 4.06Å; F339-V345 HydrophobicContact CD2-CG1 3.94Å; F339-V345 HydrophobicContact CE1-CG1 3.92Å; F339-V345 HydrophobicContact CE2-CG1 3.78Å; F339-V345 HydrophobicContact CG-CG1 4.07Å; F339-V345 HydrophobicContact CZ-CG1 3.79Å |
| 340 | Y | 85.1 | Confident | 85.8 | Confident | 25 Ų | 25 | 19.7 Ų | 19.7 | 10% | 0.098 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | -16.6 | 176.1 | -75.1 | -98.3 | 0 | 0 | 0 | 113.1 | E285 R286 P287 S288 R344 K346 | E285-Y340 HydrophobicContact CG-CE1 3.89Å; E285-Y340 PolarHBondContact O-OH 3.21Å; R286-Y340 VanDerWaalsContact O-CE1 3.23Å; R286-Y340 WeakPolarHBondContact O-CE1 3.29Å; P287-Y340 HydrophobicContact CB-CE2 4.29Å; S288-Y340 VanDerWaalsContact OG-CA 3.26Å; S288-Y340 WeakPolarHBondContact OG-CA 3.31Å; S288-Y340 PolarHBondContact OG-O 3.27Å; Y340-R344 PolarHBondContact N-O 3.34Å; Y340-R344 PolarHBondContact O-NH2 2.88Å; Y340-K346 HydrophobicContact CD2-CB 4.31Å; Y340-K346 HydrophobicContact CD2-CD 3.99Å; Y340-K346 HydrophobicContact CD2-CG 3.83Å; Y340-K346 HydrophobicContact CE2-CB 3.97Å; Y340-K346 HydrophobicContact CE2-CD 3.55Å; Y340-K346 HydrophobicContact CE2-CG 3.75Å |
| 341 | A | 79.7 | Confident | 85.4 | Confident | 21 Ų | 21 | 21.2 Ų | 21.2 | 17% | 0.174 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163 | 167.7 | 160.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | F339 D343 R344 | F339-A341 WeakPolarHBondContact CD1-O 3.41Å; A341-D343 WeakPolarHBondContact CB-OD1 3.5Å; A341-D343 PolarHBondContact O-N 2.81Å; A341-R344 HydrophobicContact CB-CB 4.17Å; A341-R344 HydrophobicContact CB-CG 4.41Å; A341-R344 PolarHBondContact N-O 2.9Å; A341-R344 PolarHBondContact O-N 3.49Å; A341-R344 VanDerWaalsContact O-O 3.08Å |
| 342 | A | 75.8 | Confident | 85.3 | Confident | 50 Ų | 50 | 21.6 Ų | 21.6 | 41% | 0.413 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -21 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 343 | D | 77.6 | Confident | 85.2 | Confident | 98 Ų | 98 | 21.5 Ų | 21.5 | 52% | 0.524 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | 7.7 | 176.6 | 71.3 | -35.6 | 0 | 0 | 0 | 114.2 | Q314 A341 | Q314-D343 PolarHBondContact NE2-O 2.92Å; A341-D343 WeakPolarHBondContact CB-OD1 3.5Å; A341-D343 PolarHBondContact O-N 2.81Å |
| 344 | R | 83.4 | Confident | 84.9 | Confident | 90 Ų | 90 | 21.5 Ų | 21.5 | 34% | 0.34 | 11% | 0.111 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 115.3 | -176 | -63.6 | -173.7 | -59 | 159.7 | 8.1 | 112.8 | Y340 A341 | Y340-R344 PolarHBondContact N-O 3.34Å; Y340-R344 PolarHBondContact O-NH2 2.88Å; A341-R344 HydrophobicContact CB-CB 4.17Å; A341-R344 HydrophobicContact CB-CG 4.41Å; A341-R344 PolarHBondContact N-O 2.9Å; A341-R344 PolarHBondContact O-N 3.49Å; A341-R344 VanDerWaalsContact O-O 3.08Å |
| 345 | V | 92.3 | Very high | 84.5 | Confident | 5 Ų | 5 | 26 Ų | 26 | 3% | 0.03 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 160 | 177.8 | -66.1 | 0 | 0 | 0 | 0 | 112.7 | I311 Q314 I315 I337 Y338 F339 | I311-V345 HydrophobicContact CG1-CG1 4.18Å; I311-V345 HydrophobicContact CG2-CG1 4.18Å; I311-V345 HydrophobicContact CG2-CG2 4.14Å; Q314-V345 HydrophobicContact CB-CG2 3.84Å; I315-V345 HydrophobicContact CG1-CG2 4.22Å; I337-V345 HydrophobicContact CG2-CB 3.72Å; I337-V345 HydrophobicContact CG2-CG1 3.81Å; I337-V345 HydrophobicContact CG2-CG2 4.35Å; Y338-V345 CarbonylContact O-C 3.53Å; Y338-V345 VanDerWaalsContact O-CA 3.3Å; Y338-V345 WeakPolarHBondContact O-CA 3.41Å; F339-V345 HydrophobicContact CD1-CG1 4.06Å; F339-V345 HydrophobicContact CD2-CG1 3.94Å; F339-V345 HydrophobicContact CE1-CG1 3.92Å; F339-V345 HydrophobicContact CE2-CG1 3.78Å; F339-V345 HydrophobicContact CG-CG1 4.07Å; F339-V345 HydrophobicContact CZ-CG1 3.79Å |
| 346 | K | 92.9 | Very high | 83.9 | Confident | 23 Ų | 23 | 26.5 Ų | 26.5 | 10% | 0.1 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 145.8 | 168.3 | -62.7 | -170.6 | 175.7 | -162.6 | 0 | 111.1 | P254 N255 I256 N258 E285 I337 Y338 Y340 | P254-K346 VanDerWaalsContact O-CE 3.32Å; P254-K346 WeakPolarHBondContact O-CE 3.33Å; N255-K346 CarbonylContact O-C 3.11Å; N255-K346 WeakPolarHBondContact O-CA 3.34Å; I256-K346 WeakPolarHBondContact O-CD 3.43Å; N258-K346 PolarHBondContact ND2-NZ 2.67Å; E285-K346 IonicContact OE1-NZ 3.26Å; E285-K346 IonicContact OE2-NZ 2.79Å; E285-K346 PolarHBondContact OE2-NZ 3.2Å; I337-K346 WeakPolarHBondContact CA-O 3.41Å; Y338-K346 PolarHBondContact N-O 2.87Å; Y338-K346 PolarHBondContact O-N 3.01Å; Y340-K346 HydrophobicContact CD2-CB 4.31Å; Y340-K346 HydrophobicContact CD2-CD 3.99Å; Y340-K346 HydrophobicContact CD2-CG 3.83Å; Y340-K346 HydrophobicContact CE2-CB 3.97Å; Y340-K346 HydrophobicContact CE2-CD 3.55Å; Y340-K346 HydrophobicContact CE2-CG 3.75Å |
| 347 | L | 93.1 | Very high | 82.2 | Confident | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 146.3 | 176.7 | -170.4 | 58.6 | 0 | 0 | 0 | 111.2 | N255 I256 I257 I315 A318 L319 L322 H329 A336 I337 F350 | N255-L347 PolarHBondContact O-N 2.78Å; I256-L347 WeakPolarHBondContact CA-O 3.21Å; I256-L347 HydrophobicContact CG1-CB 4.4Å; I257-L347 WeakPolarHBondContact CG2-O 3.38Å; I257-L347 PolarHBondContact N-O 2.81Å; I315-L347 HydrophobicContact CG2-CD2 4.49Å; A318-L347 HydrophobicContact CB-CB 4.37Å; A318-L347 HydrophobicContact CB-CD2 4.02Å; L319-L347 HydrophobicContact CD2-CD2 3.83Å; L319-L347 HydrophobicContact CG-CD2 4.24Å; L322-L347 HydrophobicContact CD1-CD2 4.25Å; H329-L347 WeakPolarHBondContact NE2-CG 3.43Å; A336-L347 HydrophobicContact CB-CD1 4.21Å; A336-L347 CarbonylContact O-C 3.59Å; I337-L347 HydrophobicContact CG1-CD1 4.42Å; L347-F350 HydrophobicContact CG-CE1 4.43Å |
| 348 | G | 88.1 | Confident | 79.7 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -162.6 | -172.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | H329 A336 | H329-G348 PolarHBondContact CE1-O 3.32Å; H329-G348 PolarHBondContact NE2-O 3.26Å; A336-G348 VanDerWaalsContact CB-O 3.32Å; A336-G348 WeakPolarHBondContact CB-O 3.4Å; A336-G348 PolarHBondContact O-N 2.81Å | ||
| 349 | N | 83.1 | Confident | 76.7 | Confident | 23 Ų | 23 | 43.2 Ų | 43.2 | 12% | 0.123 | 21% | 0.21 | C | C | . | . | trans | 65 | 61.2 | -172.5 | -44.6 | -1 | 0 | 0 | 0 | 112.3 | H329 H335 A336 Y338 E351 | H329-N349 PolarHBondContact CE1-O 3.01Å; H335-N349 PolarHBondContact O-ND2 3.27Å; A336-N349 HydrophobicContact CB-CB 4.45Å; Y338-N349 PolarHBondContact OH-OD1 2.87Å; N349-E351 PolarHBondContact O-N 3.38Å | ||
| 350 | F | 86.1 | Confident | 73.7 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 0% | 0.004 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -83.4 | 15 | -175.5 | -59.4 | -73.1 | 0 | 0 | 0 | 114.4 | V247 I248 I256 I257 L322 H329 L347 Y352 C353 | V247-F350 HydrophobicContact CB-CB 4.04Å; V247-F350 HydrophobicContact CG1-CB 3.88Å; V247-F350 HydrophobicContact CG1-CD1 4.03Å; V247-F350 HydrophobicContact CG1-CG 3.91Å; I248-F350 HydrophobicContact CD1-CD2 3.69Å; I248-F350 HydrophobicContact CD1-CE2 4.32Å; I248-F350 HydrophobicContact CG1-CB 4.48Å; I248-F350 HydrophobicContact CG1-CD2 3.37Å; I248-F350 HydrophobicContact CG1-CE2 3.94Å; I248-F350 HydrophobicContact CG1-CG 4.25Å; I256-F350 HydrophobicContact CD1-CZ 4.33Å; I256-F350 HydrophobicContact CG1-CZ 4.3Å; I256-F350 HydrophobicContact CG2-CE2 3.83Å; I256-F350 HydrophobicContact CG2-CZ 3.62Å; I257-F350 HydrophobicContact CG2-CE2 4.3Å; L322-F350 HydrophobicContact CD1-CE1 3.95Å; H329-F350 AromaticContact CD2-CD1 3.91Å; H329-F350 AromaticContact CD2-CE1 3.68Å; H329-F350 AromaticContact NE2-CD1 3.66Å; H329-F350 AromaticContact NE2-CE1 3.52Å; L347-F350 HydrophobicContact CG-CE1 4.43Å; F350-Y352 VanDerWaalsContact C-N 3.29Å; F350-Y352 PolarHBondContact O-N 3.44Å; F350-C353 WeakPolarHBondContact O-CB 3.21Å; F350-C353 PolarHBondContact O-N 3.29Å |
| 351 | E | 76 | Confident | 71 | Confident | 34 Ų | 34 | 57.7 Ų | 57.7 | 16% | 0.159 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -61.1 | -31.3 | -176.4 | 63.2 | -166.8 | 177.2 | 0 | 0 | 113.7 | L240 R243 N349 | L240-E351 HydrophobicContact CB-CB 4.25Å; L240-E351 HydrophobicContact CD2-CB 4.27Å; L240-E351 VanDerWaalsContact CD2-O 3.3Å; L240-E351 WeakPolarHBondContact CD2-O 3.4Å; R243-E351 VanDerWaalsContact CG-O 3.29Å; R243-E351 WeakPolarHBondContact CG-O 3.38Å; N349-E351 PolarHBondContact O-N 3.38Å |
| 352 | Y | 77.8 | Confident | 68.5 | Low | 11 Ų | 11 | 63.2 Ų | 63.2 | 4% | 0.043 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -91.3 | -4.9 | 179.6 | -55.8 | -59.2 | 0 | 0 | 0 | 114.8 | L240 F350 Q354 L411 L423 | L240-Y352 HydrophobicContact CD2-CD1 4.23Å; L240-Y352 HydrophobicContact CD2-CE1 4.16Å; F350-Y352 VanDerWaalsContact C-N 3.29Å; F350-Y352 PolarHBondContact O-N 3.44Å; Y352-Q354 PolarHBondContact O-NE2 2.91Å; Y352-L411 HydrophobicContact CD1-CD1 4.21Å; Y352-L411 HydrophobicContact CG-CD1 4.3Å; Y352-L423 HydrophobicContact CE1-CD1 4.35Å; Y352-L423 HydrophobicContact CE2-CD1 3.99Å; Y352-L423 HydrophobicContact CE2-CD2 4.22Å |
| 353 | C | 85.1 | Confident | 66.1 | Low | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | trans | -55.4 | 139.4 | -170.7 | -86.1 | 0 | 0 | 0 | 0 | 113.6 | R243 V247 I327 V328 F350 | R243-C353 VanDerWaalsContact CD-O 3.32Å; R243-C353 WeakPolarHBondContact CD-O 3.34Å; V247-C353 HydrophobicContact CG2-CB 3.74Å; I327-C353 HydrophobicContact CG2-CB 3.94Å; V328-C353 WeakPolarHBondContact O-CA 3.33Å; F350-C353 WeakPolarHBondContact O-CB 3.21Å; F350-C353 PolarHBondContact O-N 3.29Å | ||
| 354 | Q | 81 | Confident | 63.7 | Low | 7 Ų | 7 | 64.8 Ų | 64.8 | 3% | 0.033 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 132.5 | 178.6 | -61.6 | -58.2 | -49.5 | 0 | 0 | 110.6 | I327 V328 Y352 S407 L411 P462 | I327-Q354 WeakPolarHBondContact CA-O 3.35Å; V328-Q354 PolarHBondContact N-O 2.68Å; V328-Q354 PolarHBondContact O-N 2.97Å; Y352-Q354 PolarHBondContact O-NE2 2.91Å; Q354-S407 PolarHBondContact NE2-O 3.21Å; Q354-S407 PolarHBondContact OE1-O 3.45Å; Q354-S407 PolarHBondContact OE1-OG 3.1Å; Q354-L411 HydrophobicContact CG-CD2 4.14Å; Q354-P462 HydrophobicContact CB-CB 4.18Å; Q354-P462 HydrophobicContact CB-CG 4.33Å; Q354-P462 HydrophobicContact CG-CB 4.17Å; Q354-P462 HydrophobicContact CG-CG 3.95Å |
| 355 | F | 76.5 | Confident | 60.8 | Low | 97 Ų | 97 | 64.8 Ų | 64.8 | 43% | 0.425 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 122.1 | 170.5 | -72.9 | -82.7 | 0 | 0 | 0 | 109.2 | V247 G326 I327 | V247-F355 HydrophobicContact CG2-CE2 4.28Å; V247-F355 HydrophobicContact CG2-CZ 4.18Å; G326-F355 CarbonylContact O-C 3.56Å; G326-F355 WeakPolarHBondContact O-CA 3.34Å; I327-F355 HydrophobicContact CD1-CD1 4.43Å; I327-F355 HydrophobicContact CD1-CE1 3.7Å; I327-F355 HydrophobicContact CD1-CZ 4.18Å; I327-F355 HydrophobicContact CG1-CD1 3.82Å; I327-F355 HydrophobicContact CG1-CE1 3.59Å; I327-F355 HydrophobicContact CG1-CZ 4.37Å |
| 356 | I | 70.5 | Confident | 57.6 | Low | 65 Ų | 65 | 68.9 Ų | 68.9 | 33% | 0.333 | 33% | 0.333 | S | S | . | . | trans | -108.3 | 129 | 174.9 | -57.1 | -176.3 | 0 | 0 | 0 | 107.9 | G326 V328 I358 P462 | G326-I356 PolarHBondContact O-N 3.27Å; V328-I356 HydrophobicContact CB-CD1 4.15Å; V328-I356 HydrophobicContact CG2-CD1 3.39Å; V328-I356 HydrophobicContact CG2-CG1 4.2Å; I356-I358 PolarHBondContact O-N 2.88Å; I356-P462 WeakPolarHBondContact CD1-O 3.45Å | ||
| 357 | Q | 52.8 | Low | 54.4 | Low | 104 Ų | 104 | 76.4 Ų | 76.4 | 49% | 0.486 | 36% | 0.361 | S | S | . | . | trans | -62.5 | 109.7 | 171.1 | -71 | -166 | -16.6 | 0 | 0 | 109.7 | Y359 | Q357-Y359 HydrophobicContact CB-CE1 4.46Å; Q357-Y359 HydrophobicContact CB-CE2 4.23Å; Q357-Y359 PolarHBondContact O-N 3.49Å; Q357-Y359 VanDerWaalsContact OE1-CE1 3.32Å; Q357-Y359 VanDerWaalsContact OE1-CZ 3.22Å; Q357-Y359 PolarHBondContact OE1-OH 2.83Å | ||
| 358 | I | 38.3 | Very low | 51.2 | Low | 102 Ų | 102 | 84.8 Ų | 84.8 | 52% | 0.523 | 39% | 0.394 | S | S | . | . | trans | -71.6 | 87.2 | 165.7 | -56.4 | 178.5 | 0 | 0 | 0 | 107.1 | I356 K360 | I356-I358 PolarHBondContact O-N 2.88Å; I358-K360 PolarHBondContact O-N 2.97Å | ||
| 359 | Y | 27.6 | Very low | 48.4 | Very low | 151 Ų | 151 | 91.1 Ų | 91.1 | 59% | 0.592 | 42% | 0.423 | S | S | * | . | trans | -58.5 | 107.1 | 169.6 | -70.8 | -66.9 | 0 | 0 | 0 | 109.4 | Q357 N361 | Q357-Y359 HydrophobicContact CB-CE1 4.46Å; Q357-Y359 HydrophobicContact CB-CE2 4.23Å; Q357-Y359 PolarHBondContact O-N 3.49Å; Q357-Y359 VanDerWaalsContact OE1-CE1 3.32Å; Q357-Y359 VanDerWaalsContact OE1-CZ 3.22Å; Q357-Y359 PolarHBondContact OE1-OH 2.83Å; Y359-N361 PolarHBondContact O-N 3.3Å | ||
| 360 | K | 26.1 | Very low | 45.5 | Very low | 197 Ų | 197 | 95.1 Ų | 95.1 | 86% | 0.857 | 45% | 0.452 | S | S | * | . | trans | -72.4 | 56.9 | 163.2 | -73.9 | -174.6 | 174.5 | -179 | 0 | 110 | I358 Q362 | I358-K360 PolarHBondContact O-N 2.97Å; K360-Q362 PolarHBondContact O-N 3.25Å | ||
| 361 | N | 27.9 | Very low | 42.7 | Very low | 131 Ų | 131 | 101.9 Ų | 101.9 | 70% | 0.701 | 49% | 0.489 | S | S | * | . | trans | -65.9 | 120.7 | 172.6 | -77 | -8 | 0 | 0 | 0 | 108.3 | Y359 G363 | Y359-N361 PolarHBondContact O-N 3.3Å; N361-G363 PolarHBondContact O-N 3.03Å | ||
| 362 | Q | 26.7 | Very low | 40.1 | Very low | 138 Ų | 138 | 106.2 Ų | 106.2 | 65% | 0.645 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -65.1 | 128.7 | -179 | -65.1 | 168.7 | -28.3 | 0 | 0 | 110.1 | K360 S858 | K360-Q362 PolarHBondContact O-N 3.25Å; Q362-S858 VanDerWaalsContact OE1-N 3.07Å |
| 363 | G | 24.8 | Very low | 37.5 | Very low | 18 Ų | 18 | 110.2 Ų | 110.2 | 19% | 0.186 | 55% | 0.552 | C | S | . | * | S | Bend | trans | 111.4 | -21.8 | 149.9 | 0 | 0 | 0 | 0 | 0 | 119.3 | N361 S855 | N361-G363 PolarHBondContact O-N 3.03Å; G363-S855 WeakPolarHBondContact O-CA 3.42Å; G363-S855 PolarHBondContact O-N 2.96Å; G363-S855 VanDerWaalsContact O-N 3.1Å |
| 364 | N | 26.9 | Very low | 34.6 | Very low | 163 Ų | 163 | 115.1 Ų | 115.1 | 87% | 0.872 | 59% | 0.586 | S | S | * | * | trans | -123.7 | 123.6 | -178.8 | -84.4 | -36.3 | 0 | 0 | 0 | 113.3 | ||||
| 365 | E | 23.8 | Very low | 31.9 | Very low | 90 Ų | 90 | 120.5 Ų | 120.5 | 42% | 0.421 | 62% | 0.62 | S | S | . | * | trans | -91.8 | 156.1 | 163.4 | -74.7 | -179.1 | -147.7 | 0 | 0 | 110.2 | Y853 S854 | E365-Y853 VanDerWaalsContact OE1-CA 3.31Å; E365-Y853 WeakPolarHBondContact OE1-CA 3.4Å; E365-Y853 PolarHBondContact OE1-N 3.37Å; E365-Y853 WeakPolarHBondContact OE2-CA 3.09Å; E365-Y853 PolarHBondContact OE2-N 3.47Å; E365-Y853 VanDerWaalsContact OE2-N 3.16Å; E365-S854 PolarHBondContact OE1-N 3.49Å | ||
| 366 | D | 25.3 | Very low | 29.4 | Very low | 90 Ų | 90 | 127.3 Ų | 127.3 | 48% | 0.481 | 64% | 0.642 | S | S | . | * | S | Bend | trans | 51.5 | 61.2 | 162.6 | -65.7 | 5.6 | 0 | 0 | 0 | 118.3 | ||
| 367 | R | 25.4 | Very low | 27.2 | Very low | 182 Ų | 182 | 134 Ų | 134 | 69% | 0.687 | 67% | 0.669 | S | S | * | * | trans | -158.6 | 130.2 | 141.7 | -81.2 | 112.6 | -163.5 | -109.7 | 6.2 | 112.7 | H369 | R367-H369 PolarHBondContact NH1-NE2 3.39Š| ||
| 368 | Y | 25.9 | Very low | 25.8 | Very low | 177 Ų | 177 | 134.6 Ų | 134.6 | 69% | 0.694 | 69% | 0.685 | S | S | * | * | trans | -100.6 | 104.8 | 137.7 | -92.8 | -85.3 | 0 | 0 | 0 | 105.9 | ||||
| 369 | H | 28.3 | Very low | 25.1 | Very low | 132 Ų | 132 | 139.7 Ų | 139.7 | 61% | 0.611 | 70% | 0.703 | S | S | * | * | trans | -83.9 | 123 | 176.6 | -91 | -38 | 0 | 0 | 0 | 109.9 | R367 | R367-H369 PolarHBondContact NH1-NE2 3.39Š| ||
| 370 | S | 23.5 | Very low | 24.9 | Very low | 107 Ų | 107 | 137.6 Ų | 137.6 | 75% | 0.748 | 71% | 0.711 | S | S | * | * | trans | -68.3 | 123.8 | 153.2 | 52.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 371 | D | 26.2 | Very low | 24.7 | Very low | 144 Ų | 144 | 139 Ų | 139 | 77% | 0.77 | 71% | 0.711 | S | S | * | * | trans | -151.8 | 98.1 | 160.3 | -107.8 | -38.5 | 0 | 0 | 0 | 110.6 | ||||
| 372 | S | 22 | Very low | 24.6 | Very low | 125 Ų | 125 | 142.8 Ų | 142.8 | 87% | 0.874 | 72% | 0.717 | S | S | * | * | trans | -103.3 | 68.3 | 178.4 | 59.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 373 | S | 23.4 | Very low | 24.4 | Very low | 94 Ų | 94 | 143.5 Ų | 143.5 | 66% | 0.657 | 72% | 0.72 | S | S | * | * | trans | -161.3 | 146.7 | 161.9 | 67 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 374 | S | 23.9 | Very low | 24.4 | Very low | 103 Ų | 103 | 151.7 Ų | 151.7 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | trans | 74.3 | 116 | 155.3 | 77.4 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 375 | V | 24.5 | Very low | 24.2 | Very low | 120 Ų | 120 | 148.4 Ų | 148.4 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | 42.6 | 108.9 | 119.4 | -175.3 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 376 | R | 22.8 | Very low | 24.3 | Very low | 240 Ų | 240 | 153.4 Ų | 153.4 | 91% | 0.906 | 77% | 0.765 | S | S | * | * | -169.7 | 158.7 | 63.4 | -130.1 | 152.5 | -155.9 | 178 | 4.9 | 111.9 | |||||
| 377 | K | 24.9 | Very low | 24.3 | Very low | 206 Ų | 206 | 156.6 Ų | 156.6 | 90% | 0.896 | 78% | 0.777 | S | S | * | * | trans | -84 | 140 | 172.7 | -64.9 | 171.9 | -179.6 | 170.8 | 0 | 111.6 | ||||
| 378 | S | 23.5 | Very low | 24.3 | Very low | 117 Ų | 117 | 153.6 Ų | 153.6 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -138 | 144.5 | 154.1 | 59.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 379 | K | 22.9 | Very low | 24.3 | Very low | 208 Ų | 208 | 156 Ų | 156 | 90% | 0.904 | 78% | 0.78 | S | S | * | * | trans | -116.8 | 120.5 | -175.7 | -72 | 179.9 | 175.8 | -179.6 | 0 | 110.2 | ||||
| 380 | S | 24.8 | Very low | 24.3 | Very low | 107 Ų | 107 | 155.6 Ų | 155.6 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | trans | -150 | 80.7 | 168.5 | 42.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 381 | R | 22.2 | Very low | 24.4 | Very low | 228 Ų | 228 | 156.2 Ų | 156.2 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | trans | 24.2 | 96 | 147.2 | -55.5 | 178 | -168.9 | 166.4 | 3.2 | 117.4 | ||||
| 382 | Y | 24.6 | Very low | 24.5 | Very low | 210 Ų | 210 | 155.4 Ų | 155.4 | 82% | 0.824 | 77% | 0.765 | S | S | * | * | trans | -132.4 | 111.1 | 134.3 | -98.6 | -85.1 | 0 | 0 | 0 | 107.8 | ||||
| 383 | H | 22.8 | Very low | 24.8 | Very low | 153 Ų | 153 | 156.9 Ų | 156.9 | 71% | 0.708 | 75% | 0.752 | S | S | * | * | trans | -85 | 161.4 | 171.7 | -81.3 | -101.6 | 0 | 0 | 0 | 110.1 | ||||
| 384 | H | 24.1 | Very low | 24.8 | Very low | 190 Ų | 190 | 155.7 Ų | 155.7 | 88% | 0.88 | 74% | 0.736 | S | S | * | * | trans | 69 | 120.5 | -176.8 | -40.3 | -78.8 | 0 | 0 | 0 | 113.5 | ||||
| 385 | S | 23.3 | Very low | 24.9 | Very low | 93 Ų | 93 | 157.6 Ų | 157.6 | 65% | 0.65 | 73% | 0.732 | S | S | * | * | cis | -139.3 | 115.1 | 6.4 | 48.4 | 0 | 0 | 0 | 0 | 113 | H387 | S385-H387 VanDerWaalsContact C-N 3.27Å; S385-H387 PolarHBondContact O-N 2.93Å | ||
| 386 | H | 25.8 | Very low | 25 | Very low | 196 Ų | 196 | 156 Ų | 156 | 91% | 0.907 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | 76.8 | 161.5 | -87.4 | -90 | 0 | 0 | 0 | 109.5 | ||
| 387 | H | 24.6 | Very low | 25.1 | Very low | 157 Ų | 157 | 151.6 Ų | 151.6 | 73% | 0.727 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -157.1 | -5.9 | 171.5 | -106.9 | -56.4 | 0 | 0 | 0 | 119.5 | S385 | S385-H387 VanDerWaalsContact C-N 3.27Å; S385-H387 PolarHBondContact O-N 2.93Å |
| 388 | H | 25.4 | Very low | 25.1 | Very low | 119 Ų | 119 | 146.4 Ų | 146.4 | 55% | 0.551 | 69% | 0.688 | S | S | * | * | trans | -102.9 | -5 | -171.7 | -85.8 | -71.1 | 0 | 0 | 0 | 117.7 | Q390 Q391 | H388-Q390 VanDerWaalsContact C-N 3.27Å; H388-Q390 PolarHBondContact O-N 3.18Å; H388-Q391 PolarHBondContact ND1-OE1 2.95Å | ||
| 389 | Y | 27.1 | Very low | 25.1 | Very low | 228 Ų | 228 | 146.1 Ų | 146.1 | 89% | 0.894 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | 5.4 | -176.2 | -80.7 | -83.8 | 0 | 0 | 0 | 115.8 | ||
| 390 | Q | 28.6 | Very low | 25.3 | Very low | 122 Ų | 122 | 144.5 Ų | 144.5 | 57% | 0.57 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | -6.6 | 178.5 | -79.8 | 179.2 | -32.5 | 0 | 0 | 114.8 | H388 H394 | H388-Q390 VanDerWaalsContact C-N 3.27Å; H388-Q390 PolarHBondContact O-N 3.18Å; Q390-H394 PolarHBondContact O-CD2 2.94Å |
| 391 | Q | 25.8 | Very low | 25.4 | Very low | 120 Ų | 120 | 146.2 Ų | 146.2 | 56% | 0.561 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -79.8 | -32.3 | -160.9 | -66.1 | -173.9 | -62.7 | 0 | 0 | 115.5 | H388 Y393 H394 | H388-Q391 PolarHBondContact ND1-OE1 2.95Å; Q391-Y393 VanDerWaalsContact C-N 3.32Å; Q391-Y393 PolarHBondContact O-N 3.45Å; Q391-H394 PolarHBondContact O-N 2.88Å; Q391-H394 VanDerWaalsContact O-N 3.12Å |
| 392 | D | 26.9 | Very low | 25.7 | Very low | 128 Ų | 128 | 144.4 Ų | 144.4 | 68% | 0.684 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -77.4 | -17.8 | 176.5 | -73.4 | -18 | 0 | 0 | 0 | 113.3 | H394 | D392-H394 PolarHBondContact O-N 2.65Š|
| 393 | Y | 28.3 | Very low | 26.1 | Very low | 155 Ų | 155 | 143.4 Ų | 143.4 | 61% | 0.608 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -79.5 | 8.5 | 166.9 | -81.6 | -75.5 | 0 | 0 | 0 | 112.7 | Q391 | Q391-Y393 VanDerWaalsContact C-N 3.32Å; Q391-Y393 PolarHBondContact O-N 3.45Å |
| 394 | H | 25 | Very low | 27 | Very low | 69 Ų | 69 | 142.2 Ų | 142.2 | 32% | 0.319 | 68% | 0.676 | S | S | . | * | G | 310 helix | trans | -125 | 29.3 | -174.4 | -71.6 | -7.2 | 0 | 0 | 0 | 114.9 | Q390 Q391 D392 I396 K397 | Q390-H394 PolarHBondContact O-CD2 2.94Å; Q391-H394 PolarHBondContact O-N 2.88Å; Q391-H394 VanDerWaalsContact O-N 3.12Å; D392-H394 PolarHBondContact O-N 2.65Å; H394-I396 PolarHBondContact O-N 3.11Å; H394-K397 HydrophobicContact CB-CB 4.24Å; H394-K397 PolarHBondContact CE1-NZ 2.84Å; H394-K397 VanDerWaalsContact CE1-NZ 3.33Å; H394-K397 PolarHBondContact NE2-NZ 3.36Å |
| 395 | F | 25.2 | Very low | 28.3 | Very low | 143 Ų | 143 | 135.9 Ų | 135.9 | 63% | 0.627 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | 123.7 | 148.2 | -94.8 | -89.4 | 0 | 0 | 0 | 108.9 | I986 | F395-I986 HydrophobicContact CE1-CB 4.34Å; F395-I986 HydrophobicContact CE1-CG2 4.45Å; F395-I986 HydrophobicContact CZ-CB 4.35Å; F395-I986 HydrophobicContact CZ-CD1 4.12Å; F395-I986 HydrophobicContact CZ-CG2 4.3Å |
| 396 | I | 25.8 | Very low | 30 | Very low | 88 Ų | 88 | 133 Ų | 133 | 45% | 0.451 | 63% | 0.628 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 61.2 | 64.3 | -167.6 | -39.3 | 178.5 | 0 | 0 | 0 | 112.9 | H394 D398 H401 | H394-I396 PolarHBondContact O-N 3.11Å; I396-D398 VanDerWaalsContact C-N 3.35Å; I396-H401 HydrophobicContact CG2-CB 4.2Å |
| 397 | K | 24.6 | Very low | 31.9 | Very low | 146 Ų | 146 | 124.7 Ų | 124.7 | 64% | 0.635 | 59% | 0.592 | S | S | * | * | trans | -102 | 29.5 | 149.2 | -140.9 | -171.7 | -160.6 | 171.6 | 0 | 112.3 | H394 S399 | H394-K397 HydrophobicContact CB-CB 4.24Å; H394-K397 PolarHBondContact CE1-NZ 2.84Å; H394-K397 VanDerWaalsContact CE1-NZ 3.33Å; H394-K397 PolarHBondContact NE2-NZ 3.36Å; K397-S399 PolarHBondContact O-N 2.82Å | ||
| 398 | D | 25.6 | Very low | 33.9 | Very low | 97 Ų | 97 | 117.2 Ų | 117.2 | 52% | 0.519 | 56% | 0.557 | S | S | . | * | trans | -69.2 | 123.8 | 172.2 | -67.1 | -46.5 | 0 | 0 | 0 | 109.9 | I396 H400 H401 | I396-D398 VanDerWaalsContact C-N 3.35Å; D398-H400 PolarHBondContact O-N 2.87Å; D398-H401 PolarHBondContact O-N 2.89Å | ||
| 399 | S | 24.8 | Very low | 35.8 | Very low | 111 Ų | 111 | 112.4 Ų | 112.4 | 78% | 0.776 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | 16.3 | -160.8 | 48.1 | 0 | 0 | 0 | 0 | 116.8 | K397 | K397-S399 PolarHBondContact O-N 2.82Š|
| 400 | H | 25.2 | Very low | 37.6 | Very low | 175 Ų | 175 | 101.8 Ų | 101.8 | 81% | 0.81 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.2 | 11.3 | -179.7 | -72.8 | -56.8 | 0 | 0 | 0 | 115.1 | D398 | D398-H400 PolarHBondContact O-N 2.87Š|
| 401 | H | 27.8 | Very low | 39.5 | Very low | 143 Ų | 143 | 96 Ų | 96 | 66% | 0.662 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -111.2 | 145 | -179.7 | -72.7 | -40.3 | 0 | 0 | 0 | 114.5 | I396 D398 | I396-H401 HydrophobicContact CG2-CB 4.2Å; D398-H401 PolarHBondContact O-N 2.89Å |
| 402 | Q | 28.8 | Very low | 41.5 | Very low | 190 Ų | 190 | 90.5 Ų | 90.5 | 89% | 0.888 | 44% | 0.44 | S | S | * | . | trans | -65.5 | 144.3 | -173.3 | -65.5 | 170.3 | -50.7 | 0 | 0 | 111.1 | Q404 | Q402-Q404 PolarHBondContact O-N 3.37Š| ||
| 403 | Q | 32.1 | Very low | 43.3 | Very low | 189 Ų | 189 | 85.1 Ų | 85.1 | 88% | 0.883 | 41% | 0.412 | S | S | * | . | trans | -52.1 | 107.7 | -177 | -68 | 171.4 | -25.3 | 0 | 0 | 112 | L405 | Q403-L405 PolarHBondContact O-N 3.01Š| ||
| 404 | Q | 43.1 | Very low | 44.9 | Very low | 128 Ų | 128 | 77.7 Ų | 77.7 | 60% | 0.598 | 38% | 0.383 | S | S | * | . | trans | -74.5 | 115.9 | 164.9 | -74.2 | -167.1 | -14.1 | 0 | 0 | 108.8 | Q402 | Q402-Q404 PolarHBondContact O-N 3.37Š| ||
| 405 | L | 51 | Low | 46.7 | Very low | 56 Ų | 56 | 74.6 Ų | 74.6 | 29% | 0.293 | 37% | 0.368 | S | S | . | . | trans | -63.3 | 132.7 | 173.1 | -74.6 | 157.6 | 0 | 0 | 0 | 109.5 | Q403 F409 N410 L413 | Q403-L405 PolarHBondContact O-N 3.01Å; L405-F409 HydrophobicContact CB-CB 4.07Å; L405-F409 HydrophobicContact CD2-CB 4.18Å; L405-F409 HydrophobicContact CD2-CD1 3.86Å; L405-F409 HydrophobicContact CD2-CG 4.22Å; L405-N410 PolarHBondContact O-ND2 3.01Å; L405-L413 HydrophobicContact CD1-CD1 3.81Å | ||
| 406 | P | 58 | Low | 48.4 | Very low | 34 Ų | 34 | 69 Ų | 69 | 22% | 0.221 | 34% | 0.343 | C | S | . | . | trans | -53.2 | 153.3 | 178 | -26 | 33 | 0 | 0 | 0 | 112.5 | I408 F409 N410 I453 | P406-I408 HydrophobicContact CB-CG2 4.23Å; P406-I408 PolarHBondContact O-N 2.8Å; P406-F409 HydrophobicContact CB-CD2 3.98Å; P406-F409 HydrophobicContact CG-CD2 3.85Å; P406-F409 HydrophobicContact CG-CE2 4.16Å; P406-F409 WeakPolarHBondContact O-CB 3.49Å; P406-F409 PolarHBondContact O-N 3.09Å; P406-N410 PolarHBondContact O-N 2.89Å; P406-N410 PolarHBondContact O-ND2 2.92Å; P406-I453 HydrophobicContact CG-CD1 3.96Å; P406-I453 HydrophobicContact CG-CG1 4.32Å; P406-I453 HydrophobicContact CG-CG2 4.15Å | ||
| 407 | S | 65.6 | Low | 49.8 | Very low | 21 Ų | 21 | 67.5 Ų | 67.5 | 15% | 0.147 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -55.2 | -34.7 | -174.8 | 65.6 | 0 | 0 | 0 | 0 | 113 | Q354 N410 L411 | Q354-S407 PolarHBondContact NE2-O 3.21Å; Q354-S407 PolarHBondContact OE1-O 3.45Å; Q354-S407 PolarHBondContact OE1-OG 3.1Å; S407-N410 PolarHBondContact O-N 2.91Å; S407-L411 PolarHBondContact O-N 2.93Å |
| 408 | I | 67.9 | Low | 51.2 | Low | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69.5 | -32.7 | 176.8 | -166.8 | 164.4 | 0 | 0 | 0 | 113.5 | P406 N410 L411 L412 I456 Y457 I460 | P406-I408 HydrophobicContact CB-CG2 4.23Å; P406-I408 PolarHBondContact O-N 2.8Å; I408-N410 VanDerWaalsContact C-N 3.3Å; I408-N410 PolarHBondContact O-N 3.08Å; I408-L411 WeakPolarHBondContact O-CB 3.3Å; I408-L411 PolarHBondContact O-N 3.29Å; I408-L412 PolarHBondContact O-N 2.89Å; I408-I456 HydrophobicContact CD1-CG2 4.01Å; I408-I456 HydrophobicContact CG1-CG2 4.02Å; I408-I456 HydrophobicContact CG2-CG2 3.93Å; I408-Y457 HydrophobicContact CB-CE1 3.92Å; I408-Y457 HydrophobicContact CD1-CD1 3.46Å; I408-Y457 VanDerWaalsContact CD1-CD1 3.46Å; I408-Y457 HydrophobicContact CD1-CE1 3.63Å; I408-Y457 HydrophobicContact CD1-CG 4.1Å; I408-Y457 HydrophobicContact CG1-CE1 4.39Å; I408-Y457 HydrophobicContact CG2-CD1 4.41Å; I408-Y457 HydrophobicContact CG2-CD2 4.33Å; I408-Y457 HydrophobicContact CG2-CE1 3.86Å; I408-Y457 HydrophobicContact CG2-CE2 3.75Å; I408-Y457 VanDerWaalsContact CG2-CZ 3.48Å; I408-I460 HydrophobicContact CD1-CB 4Å; I408-I460 HydrophobicContact CD1-CG2 3.9Å; I408-I460 VanDerWaalsContact CD1-O 3.24Å; I408-I460 WeakPolarHBondContact CD1-O 3.37Å; I408-I460 HydrophobicContact CG1-CG2 4.13Å |
| 409 | F | 64.8 | Low | 52.3 | Low | 17 Ų | 17 | 58.7 Ų | 58.7 | 8% | 0.075 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.1 | -37.8 | 171.4 | -83.7 | -111 | 0 | 0 | 0 | 110.4 | L405 P406 L411 L412 L413 L448 I453 I456 | L405-F409 HydrophobicContact CB-CB 4.07Å; L405-F409 HydrophobicContact CD2-CB 4.18Å; L405-F409 HydrophobicContact CD2-CD1 3.86Å; L405-F409 HydrophobicContact CD2-CG 4.22Å; P406-F409 HydrophobicContact CB-CD2 3.98Å; P406-F409 HydrophobicContact CG-CD2 3.85Å; P406-F409 HydrophobicContact CG-CE2 4.16Å; P406-F409 WeakPolarHBondContact O-CB 3.49Å; P406-F409 PolarHBondContact O-N 3.09Å; F409-L411 VanDerWaalsContact C-N 3.3Å; F409-L411 PolarHBondContact O-N 3.45Å; F409-L412 WeakPolarHBondContact O-CB 3.29Å; F409-L412 PolarHBondContact O-N 3.23Å; F409-L413 HydrophobicContact CB-CD1 4.23Å; F409-L413 WeakPolarHBondContact O-CB 3.43Å; F409-L413 VanDerWaalsContact O-CD1 3.28Å; F409-L413 WeakPolarHBondContact O-CD1 3.32Å; F409-L413 WeakPolarHBondContact O-CG 3.46Å; F409-L413 PolarHBondContact O-N 2.79Å; F409-L448 HydrophobicContact CD1-CD2 4.39Å; F409-L448 HydrophobicContact CE1-CD2 4.05Å; F409-I453 HydrophobicContact CE2-CB 4.38Å; F409-I453 HydrophobicContact CE2-CG1 3.9Å; F409-I453 HydrophobicContact CE2-CG2 4.38Å; F409-I453 HydrophobicContact CZ-CG1 4.24Å; F409-I456 HydrophobicContact CD2-CD1 4.41Å; F409-I456 HydrophobicContact CE1-CD1 3.84Å; F409-I456 HydrophobicContact CE2-CD1 3.57Å; F409-I456 HydrophobicContact CE2-CG2 4.4Å; F409-I456 HydrophobicContact CZ-CD1 3.24Å |
| 410 | N | 64 | Low | 53 | Low | 5 Ų | 5 | 54.5 Ų | 54.5 | 3% | 0.027 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -70.6 | -26.8 | 177.4 | -55.8 | -68.1 | 0 | 0 | 0 | 112.4 | N239 L405 P406 S407 I408 G414 | N239-N410 WeakPolarHBondContact CB-OD1 3.48Å; N239-N410 PolarHBondContact ND2-OD1 3.2Å; L405-N410 PolarHBondContact O-ND2 3.01Å; P406-N410 PolarHBondContact O-N 2.89Å; P406-N410 PolarHBondContact O-ND2 2.92Å; S407-N410 PolarHBondContact O-N 2.91Å; I408-N410 VanDerWaalsContact C-N 3.3Å; I408-N410 PolarHBondContact O-N 3.08Å; N410-G414 WeakPolarHBondContact O-CA 3.23Å; N410-G414 PolarHBondContact O-N 3.23Å |
| 411 | L | 70.2 | Confident | 54 | Low | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.7 | -50.6 | 167.6 | 178.2 | 65.4 | 0 | 0 | 0 | 111.3 | C330 Y352 Q354 S407 I408 F409 G414 I415 L431 I460 P462 | C330-L411 HydrophobicContact CB-CD1 4.05Å; Y352-L411 HydrophobicContact CD1-CD1 4.21Å; Y352-L411 HydrophobicContact CG-CD1 4.3Å; Q354-L411 HydrophobicContact CG-CD2 4.14Å; S407-L411 PolarHBondContact O-N 2.93Å; I408-L411 WeakPolarHBondContact O-CB 3.3Å; I408-L411 PolarHBondContact O-N 3.29Å; F409-L411 VanDerWaalsContact C-N 3.3Å; F409-L411 PolarHBondContact O-N 3.45Å; L411-G414 PolarHBondContact O-N 2.86Å; L411-I415 HydrophobicContact CD1-CD1 3.86Å; L411-I415 HydrophobicContact CD1-CG1 4.31Å; L411-I415 HydrophobicContact CG-CD1 3.88Å; L411-I415 VanDerWaalsContact O-CG1 3.29Å; L411-I415 WeakPolarHBondContact O-CG1 3.43Å; L411-I415 PolarHBondContact O-N 2.93Å; L411-L431 HydrophobicContact CD2-CD2 4.07Å; L411-I460 HydrophobicContact CD2-CG2 4.36Å; L411-P462 HydrophobicContact CD2-CG 4.17Å |
| 412 | L | 67.3 | Low | 55.2 | Low | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -55.5 | -53.4 | 176.2 | -97.6 | 165.1 | 0 | 0 | 0 | 112.4 | I408 F409 G414 I415 Y416 F439 F444 L448 I456 I460 | I408-L412 PolarHBondContact O-N 2.89Å; F409-L412 WeakPolarHBondContact O-CB 3.29Å; F409-L412 PolarHBondContact O-N 3.23Å; L412-G414 VanDerWaalsContact C-N 3.28Å; L412-G414 PolarHBondContact O-N 3.35Å; L412-I415 PolarHBondContact O-N 2.83Å; L412-Y416 VanDerWaalsContact O-CB 3.31Å; L412-Y416 WeakPolarHBondContact O-CB 3.22Å; L412-Y416 PolarHBondContact O-N 3.29Å; L412-Y416 VanDerWaalsContact O-N 3.09Å; L412-F439 HydrophobicContact CD2-CE1 3.85Å; L412-F439 HydrophobicContact CD2-CZ 4.14Å; L412-F444 HydrophobicContact CB-CZ 4.35Å; L412-F444 HydrophobicContact CD2-CE2 4.08Å; L412-F444 HydrophobicContact CD2-CZ 4.12Å; L412-L448 HydrophobicContact CD1-CD2 4.26Å; L412-I456 HydrophobicContact CD1-CD1 4.48Å; L412-I456 HydrophobicContact CD1-CG1 4.36Å; L412-I456 HydrophobicContact CD1-CG2 3.63Å; L412-I460 HydrophobicContact CD1-CD1 3.98Å; L412-I460 HydrophobicContact CD2-CD1 3.46Å; L412-I460 VanDerWaalsContact CD2-CD1 3.46Å; L412-I460 HydrophobicContact CG-CD1 3.55Å |
| 413 | L | 63.9 | Low | 56.8 | Low | 15 Ų | 15 | 40.4 Ų | 40.4 | 8% | 0.079 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.6 | -34.4 | 178.7 | -66.3 | 160.1 | 0 | 0 | 0 | 110.8 | V236 L405 F409 Y416 Y417 F444 L448 | V236-L413 HydrophobicContact CB-CB 4.42Å; V236-L413 HydrophobicContact CG1-CB 3.82Å; V236-L413 HydrophobicContact CG2-CB 3.64Å; V236-L413 HydrophobicContact CG2-CD1 3.84Å; V236-L413 HydrophobicContact CG2-CD2 4.16Å; V236-L413 HydrophobicContact CG2-CG 4.08Å; L405-L413 HydrophobicContact CD1-CD1 3.81Å; F409-L413 HydrophobicContact CB-CD1 4.23Å; F409-L413 WeakPolarHBondContact O-CB 3.43Å; F409-L413 VanDerWaalsContact O-CD1 3.28Å; F409-L413 WeakPolarHBondContact O-CD1 3.32Å; F409-L413 WeakPolarHBondContact O-CG 3.46Å; F409-L413 PolarHBondContact O-N 2.79Å; L413-Y416 PolarHBondContact O-N 3.24Å; L413-Y417 HydrophobicContact CB-CD2 4.36Å; L413-Y417 HydrophobicContact CD2-CD2 3.98Å; L413-Y417 HydrophobicContact CD2-CE2 3.58Å; L413-Y417 WeakPolarHBondContact O-CB 3.38Å; L413-Y417 WeakPolarHBondContact O-CD2 3.32Å; L413-Y417 PolarHBondContact O-N 3.35Å; L413-F444 HydrophobicContact CD2-CE1 3.96Å; L413-L448 HydrophobicContact CD2-CD1 4.07Å |
| 414 | G | 62.5 | Low | 58.3 | Low | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.7 | -54.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | N410 L411 L412 Y416 L418 | N410-G414 WeakPolarHBondContact O-CA 3.23Å; N410-G414 PolarHBondContact O-N 3.23Å; L411-G414 PolarHBondContact O-N 2.86Å; L412-G414 VanDerWaalsContact C-N 3.28Å; L412-G414 PolarHBondContact O-N 3.35Å; G414-Y416 PolarHBondContact O-N 3.31Å; G414-L418 WeakPolarHBondContact O-CB 3.44Å; G414-L418 WeakPolarHBondContact O-CD1 3.48Å; G414-L418 PolarHBondContact O-N 2.95Å; G414-L418 VanDerWaalsContact O-N 3.1Å |
| 415 | I | 63.3 | Low | 59.6 | Low | 3 Ų | 3 | 32.1 Ų | 32.1 | 2% | 0.015 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59 | -30.3 | 178.6 | -68.6 | 165.2 | 0 | 0 | 0 | 112.1 | L411 L412 A420 L427 Y432 F439 | L411-I415 HydrophobicContact CD1-CD1 3.86Å; L411-I415 HydrophobicContact CD1-CG1 4.31Å; L411-I415 HydrophobicContact CG-CD1 3.88Å; L411-I415 VanDerWaalsContact O-CG1 3.29Å; L411-I415 WeakPolarHBondContact O-CG1 3.43Å; L411-I415 PolarHBondContact O-N 2.93Å; L412-I415 PolarHBondContact O-N 2.83Å; I415-A420 WeakPolarHBondContact O-CB 3.48Å; I415-L427 HydrophobicContact CD1-CD1 3.73Å; I415-L427 HydrophobicContact CG1-CD1 3.86Å; I415-L427 HydrophobicContact CG2-CD1 4.47Å; I415-Y432 HydrophobicContact CG2-CD2 3.77Å; I415-Y432 HydrophobicContact CG2-CE2 4.35Å; I415-F439 HydrophobicContact CG2-CE1 4.39Å |
| 416 | Y | 59.9 | Low | 61 | Low | 26 Ų | 26 | 31 Ų | 31 | 10% | 0.102 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -93 | -39.9 | -174.1 | -172.9 | -78.9 | 0 | 0 | 0 | 114.7 | L412 L413 G414 Y441 F444 | L412-Y416 VanDerWaalsContact O-CB 3.31Å; L412-Y416 WeakPolarHBondContact O-CB 3.22Å; L412-Y416 PolarHBondContact O-N 3.29Å; L412-Y416 VanDerWaalsContact O-N 3.09Å; L413-Y416 PolarHBondContact O-N 3.24Å; G414-Y416 PolarHBondContact O-N 3.31Å; Y416-Y441 HydrophobicContact CD1-CE2 4.24Å; Y416-Y441 HydrophobicContact CE1-CD2 4.05Å; Y416-Y441 HydrophobicContact CE1-CE1 4.47Å; Y416-Y441 AromaticContact CE1-CE2 3.63Å; Y416-Y441 HydrophobicContact CE1-CE2 3.63Å; Y416-Y441 AromaticContact CE1-CZ 3.87Å; Y416-Y441 AromaticContact CE2-CD2 3.73Å; Y416-Y441 HydrophobicContact CE2-CD2 3.73Å; Y416-Y441 HydrophobicContact CE2-CE2 4.08Å; Y416-Y441 HydrophobicContact CE2-CG 4.36Å; Y416-Y441 AromaticContact CZ-CD2 3.46Å; Y416-Y441 VanDerWaalsContact CZ-CD2 3.46Å; Y416-Y441 AromaticContact CZ-CE2 3.56Å; Y416-Y441 AromaticContact CZ-CG 3.88Å; Y416-Y441 WeakPolarHBondContact OH-CA 3.5Å; Y416-Y441 WeakPolarHBondContact OH-CD2 3.45Å; Y416-Y441 VanDerWaalsContact OH-CG 3.3Å; Y416-Y441 PolarHBondContact OH-O 3.23Å; Y416-F444 HydrophobicContact CD1-CD1 4.03Å; Y416-F444 HydrophobicContact CD1-CE1 4.1Å; Y416-F444 HydrophobicContact CD1-CG 4.44Å; Y416-F444 HydrophobicContact CD2-CB 4.26Å; Y416-F444 AromaticContact CD2-CD1 3.87Å; Y416-F444 HydrophobicContact CD2-CD1 3.87Å; Y416-F444 AromaticContact CD2-CD2 3.36Å; Y416-F444 HydrophobicContact CD2-CD2 3.36Å; Y416-F444 AromaticContact CD2-CE1 3.96Å; Y416-F444 HydrophobicContact CD2-CE1 3.96Å; Y416-F444 AromaticContact CD2-CE2 3.49Å; Y416-F444 HydrophobicContact CD2-CE2 3.49Å; Y416-F444 VanDerWaalsContact CD2-CE2 3.49Å; Y416-F444 AromaticContact CD2-CG 3.57Å; Y416-F444 HydrophobicContact CD2-CG 3.57Å; Y416-F444 AromaticContact CD2-CZ 3.79Å; Y416-F444 HydrophobicContact CD2-CZ 3.79Å; Y416-F444 HydrophobicContact CE1-CB 4.37Å; Y416-F444 AromaticContact CE1-CD1 3.99Å; Y416-F444 HydrophobicContact CE1-CD1 3.99Å; Y416-F444 HydrophobicContact CE1-CG 4.2Å; Y416-F444 HydrophobicContact CE2-CB 3.43Å; Y416-F444 VanDerWaalsContact CE2-CB 3.43Å; Y416-F444 AromaticContact CE2-CD1 3.83Å; Y416-F444 HydrophobicContact CE2-CD1 3.83Å; Y416-F444 AromaticContact CE2-CD2 3.37Å; Y416-F444 HydrophobicContact CE2-CD2 3.37Å; Y416-F444 HydrophobicContact CE2-CE1 4.39Å; Y416-F444 HydrophobicContact CE2-CE2 4.02Å; Y416-F444 AromaticContact CE2-CG 3.26Å; Y416-F444 HydrophobicContact CE2-CG 3.26Å; Y416-F444 HydrophobicContact CE2-CZ 4.48Å; Y416-F444 AromaticContact CG-CD1 3.95Å; Y416-F444 HydrophobicContact CG-CD1 3.95Å; Y416-F444 HydrophobicContact CG-CD2 4.18Å; Y416-F444 AromaticContact CG-CE1 3.78Å; Y416-F444 HydrophobicContact CG-CE1 3.78Å; Y416-F444 HydrophobicContact CG-CE2 4.04Å; Y416-F444 HydrophobicContact CG-CG 4.14Å; Y416-F444 AromaticContact CG-CZ 3.83Å; Y416-F444 HydrophobicContact CG-CZ 3.83Å; Y416-F444 VanDerWaalsContact CZ-CB 3.48Å; Y416-F444 AromaticContact CZ-CD1 3.86Å; Y416-F444 AromaticContact CZ-CG 3.59Å; Y416-F444 WeakPolarHBondContact OH-CB 3.18Å |
| 417 | Y | 55.9 | Low | 62 | Low | 57 Ų | 57 | 29.9 Ų | 29.9 | 22% | 0.224 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -96.7 | -20.8 | -174.9 | -73.8 | -100.1 | 0 | 0 | 0 | 113.7 | S233 L413 F444 T445 | S233-Y417 VanDerWaalsContact OG-CD1 3.24Å; S233-Y417 WeakPolarHBondContact OG-CD1 3.4Å; L413-Y417 HydrophobicContact CB-CD2 4.36Å; L413-Y417 HydrophobicContact CD2-CD2 3.98Å; L413-Y417 HydrophobicContact CD2-CE2 3.58Å; L413-Y417 WeakPolarHBondContact O-CB 3.38Å; L413-Y417 WeakPolarHBondContact O-CD2 3.32Å; L413-Y417 PolarHBondContact O-N 3.35Å; Y417-F444 HydrophobicContact CE2-CD1 4.44Å; Y417-F444 HydrophobicContact CE2-CE1 4.23Å; Y417-T445 WeakPolarHBondContact OH-CG2 3.24Å |
| 418 | L | 53.7 | Low | 62.9 | Low | 16 Ų | 16 | 28.9 Ų | 28.9 | 8% | 0.084 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -87 | 157.7 | 161.6 | -67.4 | 98.5 | 0 | 0 | 0 | 108.7 | F203 L240 G414 A420 | F203-L418 HydrophobicContact CD1-CD2 4.35Å; F203-L418 HydrophobicContact CD2-CD2 3.49Å; F203-L418 VanDerWaalsContact CD2-CD2 3.49Å; F203-L418 HydrophobicContact CD2-CG 4.15Å; F203-L418 HydrophobicContact CE1-CD2 4.27Å; F203-L418 HydrophobicContact CE1-CG 4.09Å; F203-L418 HydrophobicContact CE2-CB 4.08Å; F203-L418 HydrophobicContact CE2-CD2 3.48Å; F203-L418 VanDerWaalsContact CE2-CD2 3.48Å; F203-L418 HydrophobicContact CE2-CG 3.62Å; F203-L418 HydrophobicContact CG-CD2 3.98Å; F203-L418 HydrophobicContact CZ-CB 4.22Å; F203-L418 HydrophobicContact CZ-CD2 3.89Å; F203-L418 HydrophobicContact CZ-CG 3.58Å; L240-L418 HydrophobicContact CD1-CD1 3.51Å; G414-L418 WeakPolarHBondContact O-CB 3.44Å; G414-L418 WeakPolarHBondContact O-CD1 3.48Å; G414-L418 PolarHBondContact O-N 2.95Å; G414-L418 VanDerWaalsContact O-N 3.1Å; L418-A420 PolarHBondContact O-N 3.24Å |
| 419 | P | 48.3 | Very low | 63.3 | Low | 41 Ų | 41 | 31.6 Ų | 31.6 | 27% | 0.266 | 17% | 0.173 | S | C | . | . | trans | -63.3 | 97.8 | -173.1 | 26.4 | -38.3 | 0 | 0 | 0 | 111.2 | E202 N421 C422 | E202-P419 VanDerWaalsContact OE2-CD 3.26Å; E202-P419 WeakPolarHBondContact OE2-CD 3.21Å; E202-P419 VanDerWaalsContact OE2-CG 3.28Å; E202-P419 WeakPolarHBondContact OE2-CG 3.46Å; P419-N421 PolarHBondContact O-N 3.13Å; P419-C422 WeakPolarHBondContact O-CB 3.32Å; P419-C422 PolarHBondContact O-N 3.46Å | ||
| 420 | A | 40.3 | Very low | 63.8 | Low | 23 Ų | 23 | 31.9 Ų | 31.9 | 19% | 0.19 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -47.1 | -40.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I415 L418 C422 L423 T424 | I415-A420 WeakPolarHBondContact O-CB 3.48Å; L418-A420 PolarHBondContact O-N 3.24Å; A420-C422 PolarHBondContact O-N 3.25Å; A420-L423 WeakPolarHBondContact O-CA 3.5Å; A420-L423 PolarHBondContact O-N 3.35Å; A420-T424 HydrophobicContact CB-CG2 4.03Å; A420-T424 WeakPolarHBondContact O-CG2 3.45Å; A420-T424 PolarHBondContact O-N 3.5Å; A420-T424 PolarHBondContact O-OG1 3.06Å |
| 421 | N | 45.6 | Very low | 64.4 | Low | 136 Ų | 136 | 31.7 Ų | 31.7 | 73% | 0.727 | 17% | 0.173 | S | C | * | . | G | 310 helix | trans | -46 | -26.2 | 176 | -52 | 3.8 | 0 | 0 | 0 | 114.7 | P419 | P419-N421 PolarHBondContact O-N 3.13Š|
| 422 | C | 52.6 | Low | 64.5 | Low | 62 Ų | 62 | 34.3 Ų | 34.3 | 42% | 0.419 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -85.1 | -17.5 | 177.5 | -73.4 | 0 | 0 | 0 | 0 | 114.2 | P419 A420 W426 | P419-C422 WeakPolarHBondContact O-CB 3.32Å; P419-C422 PolarHBondContact O-N 3.46Å; A420-C422 PolarHBondContact O-N 3.25Å; C422-W426 PolarHBondContact O-NE1 3.26Å |
| 423 | L | 62.6 | Low | 64.6 | Low | 15 Ų | 15 | 36.7 Ų | 36.7 | 8% | 0.079 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | -34.4 | -176.7 | -72.1 | 169.7 | 0 | 0 | 0 | 113.1 | T333 Y352 A420 D425 W426 L427 | T333-L423 HydrophobicContact CG2-CD2 3.94Å; Y352-L423 HydrophobicContact CE1-CD1 4.35Å; Y352-L423 HydrophobicContact CE2-CD1 3.99Å; Y352-L423 HydrophobicContact CE2-CD2 4.22Å; A420-L423 WeakPolarHBondContact O-CA 3.5Å; A420-L423 PolarHBondContact O-N 3.35Å; L423-D425 VanDerWaalsContact C-N 3.26Å; L423-D425 PolarHBondContact O-N 3.02Å; L423-D425 VanDerWaalsContact O-N 3.16Å; L423-W426 PolarHBondContact O-N 2.82Å; L423-L427 HydrophobicContact CB-CD1 3.98Å; L423-L427 HydrophobicContact CB-CG 4.42Å; L423-L427 WeakPolarHBondContact O-CG 3.42Å; L423-L427 PolarHBondContact O-N 3.49Å |
| 424 | T | 64.5 | Low | 64.4 | Low | 35 Ų | 35 | 40.5 Ų | 40.5 | 22% | 0.215 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -31.1 | -173.5 | 47.8 | 0 | 0 | 0 | 0 | 114.7 | A420 W426 Y432 | A420-T424 HydrophobicContact CB-CG2 4.03Å; A420-T424 WeakPolarHBondContact O-CG2 3.45Å; A420-T424 PolarHBondContact O-N 3.5Å; A420-T424 PolarHBondContact O-OG1 3.06Å; T424-W426 PolarHBondContact O-N 2.95Å; T424-Y432 HydrophobicContact CG2-CD1 3.81Å; T424-Y432 HydrophobicContact CG2-CD2 4.38Å; T424-Y432 HydrophobicContact CG2-CE1 3.42Å; T424-Y432 VanDerWaalsContact CG2-CE1 3.42Å; T424-Y432 HydrophobicContact CG2-CE2 4.04Å; T424-Y432 HydrophobicContact CG2-CG 4.27Å |
| 425 | D | 70.7 | Confident | 64.3 | Low | 107 Ų | 107 | 45.2 Ų | 45.2 | 57% | 0.572 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -21.8 | 178.8 | -77.2 | 11.9 | 0 | 0 | 0 | 113.5 | L423 K473 | L423-D425 VanDerWaalsContact C-N 3.26Å; L423-D425 PolarHBondContact O-N 3.02Å; L423-D425 VanDerWaalsContact O-N 3.16Å; D425-K473 PolarHBondContact O-NZ 3.05Å; D425-K473 VanDerWaalsContact O-NZ 3.16Å |
| 426 | W | 79.2 | Confident | 64.2 | Low | 33 Ų | 33 | 47.1 Ų | 47.1 | 13% | 0.125 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | -35.3 | -171.1 | -47.8 | 95.6 | 0 | 0 | 0 | 112.6 | T333 P334 C422 L423 T424 S470 K473 L474 F477 | T333-W426 HydrophobicContact CG2-CB 4.22Å; T333-W426 HydrophobicContact CG2-CD2 4.4Å; T333-W426 HydrophobicContact CG2-CG 3.81Å; P334-W426 VanDerWaalsContact CD-CH2 3.44Å; P334-W426 HydrophobicContact CG-CH2 3.38Å; P334-W426 HydrophobicContact CG-CZ2 3.58Å; P334-W426 HydrophobicContact CG-CZ3 4.05Å; C422-W426 PolarHBondContact O-NE1 3.26Å; L423-W426 PolarHBondContact O-N 2.82Å; T424-W426 PolarHBondContact O-N 2.95Å; W426-S470 PolarHBondContact O-OG 3.45Å; W426-K473 HydrophobicContact CE3-CB 3.91Å; W426-K473 HydrophobicContact CZ3-CB 4.29Å; W426-L474 HydrophobicContact CZ3-CB 4.4Å; W426-F477 HydrophobicContact CH2-CB 3.7Å; W426-F477 HydrophobicContact CH2-CD1 4.27Å; W426-F477 AromaticContact CH2-CD2 3.67Å; W426-F477 HydrophobicContact CH2-CD2 3.67Å; W426-F477 HydrophobicContact CH2-CE2 4.34Å; W426-F477 AromaticContact CH2-CG 3.64Å; W426-F477 HydrophobicContact CH2-CG 3.64Å; W426-F477 HydrophobicContact CZ2-CD2 4.38Å; W426-F477 HydrophobicContact CZ3-CB 3.91Å; W426-F477 HydrophobicContact CZ3-CG 4.33Å |
| 427 | L | 79.3 | Confident | 64.1 | Low | 10 Ų | 10 | 52.9 Ų | 52.9 | 5% | 0.052 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -68.1 | 141.1 | -179 | -70.1 | 173.2 | 0 | 0 | 0 | 111.5 | I415 L423 L431 | I415-L427 HydrophobicContact CD1-CD1 3.73Å; I415-L427 HydrophobicContact CG1-CD1 3.86Å; I415-L427 HydrophobicContact CG2-CD1 4.47Å; L423-L427 HydrophobicContact CB-CD1 3.98Å; L423-L427 HydrophobicContact CB-CG 4.42Å; L423-L427 WeakPolarHBondContact O-CG 3.42Å; L423-L427 PolarHBondContact O-N 3.49Å; L427-L431 HydrophobicContact CD2-CB 4.2Å; L427-L431 HydrophobicContact CD2-CD1 3.89Å |
| 428 | P | 84.3 | Confident | 64.1 | Low | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | trans | -80.9 | 165.2 | 170.5 | 36.7 | -38.1 | 0 | 0 | 0 | 111.7 | E430 L431 Y432 Y469 | P428-E430 VanDerWaalsContact C-N 3.28Å; P428-E430 WeakPolarHBondContact CB-OE1 3.42Å; P428-E430 WeakPolarHBondContact CB-OE2 3.32Å; P428-E430 WeakPolarHBondContact CG-OE1 3.49Å; P428-E430 PolarHBondContact O-N 2.99Å; P428-L431 HydrophobicContact CG-CB 4.36Å; P428-L431 HydrophobicContact CG-CD1 4.23Å; P428-L431 HydrophobicContact CG-CG 4.13Å; P428-L431 PolarHBondContact O-N 2.95Å; P428-Y432 PolarHBondContact O-N 2.8Å; P428-Y469 HydrophobicContact CB-CD1 3.61Å; P428-Y469 HydrophobicContact CB-CD2 4.18Å; P428-Y469 HydrophobicContact CB-CE1 4.01Å; P428-Y469 HydrophobicContact CB-CG 3.71Å; P428-Y469 HydrophobicContact CG-CD1 4.4Å | ||
| 429 | T | 76.6 | Confident | 64.3 | Low | 57 Ų | 57 | 51.4 Ų | 51.4 | 35% | 0.35 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -23.3 | -173.5 | 38.2 | 0 | 0 | 0 | 0 | 115.4 | L431 Y432 M510 | T429-L431 VanDerWaalsContact C-N 3.26Å; T429-L431 PolarHBondContact O-N 3.46Å; T429-Y432 WeakPolarHBondContact CA-O 3.34Å; T429-M510 HydrophobicContact CG2-CE 3.58Å |
| 430 | E | 75.7 | Confident | 64.7 | Low | 23 Ų | 23 | 53.8 Ų | 53.8 | 11% | 0.107 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -2.9 | 173.3 | 76.4 | -74.9 | 175.1 | 0 | 0 | 114.6 | P428 I460 R461 S466 P512 R515 | P428-E430 VanDerWaalsContact C-N 3.28Å; P428-E430 WeakPolarHBondContact CB-OE1 3.42Å; P428-E430 WeakPolarHBondContact CB-OE2 3.32Å; P428-E430 WeakPolarHBondContact CG-OE1 3.49Å; P428-E430 PolarHBondContact O-N 2.99Å; E430-I460 WeakPolarHBondContact O-CA 3.34Å; E430-R461 PolarHBondContact O-N 3.37Å; E430-S466 WeakPolarHBondContact OE1-CB 3.38Å; E430-S466 PolarHBondContact OE1-OG 3.34Å; E430-P512 HydrophobicContact CG-CB 4.5Å; E430-P512 HydrophobicContact CG-CG 4.44Å; E430-R515 IonicContact OE1-CZ 2.66Å; E430-R515 IonicContact OE1-NH1 3.37Å; E430-R515 PolarHBondContact OE1-NH1 2.85Å; E430-R515 IonicContact OE1-NH2 2.7Å; E430-R515 IonicContact OE2-CZ 3.67Å; E430-R515 IonicContact OE2-NH1 2.69Å; E430-R515 PolarHBondContact OE2-NH1 3.36Å; E430-R515 IonicContact OE2-NH2 3.86Å; E430-R515 PolarHBondContact OE2-NH2 3.35Å |
| 431 | L | 76.9 | Confident | 65 | Low | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | -32.8 | 170.9 | -67.1 | -172.2 | 0 | 0 | 0 | 112.7 | C330 L411 L427 P428 T429 I460 P462 | C330-L431 HydrophobicContact CB-CD1 4.18Å; L411-L431 HydrophobicContact CD2-CD2 4.07Å; L427-L431 HydrophobicContact CD2-CB 4.2Å; L427-L431 HydrophobicContact CD2-CD1 3.89Å; P428-L431 HydrophobicContact CG-CB 4.36Å; P428-L431 HydrophobicContact CG-CD1 4.23Å; P428-L431 HydrophobicContact CG-CG 4.13Å; P428-L431 PolarHBondContact O-N 2.95Å; T429-L431 VanDerWaalsContact C-N 3.26Å; T429-L431 PolarHBondContact O-N 3.46Å; L431-I460 HydrophobicContact CD2-CG2 3.89Å; L431-P462 HydrophobicContact CD2-CB 3.95Å; L431-P462 HydrophobicContact CD2-CG 3.78Å |
| 432 | Y | 71.1 | Confident | 65.2 | Low | 57 Ų | 57 | 59.6 Ų | 59.6 | 22% | 0.224 | 32% | 0.318 | C | S | . | . | trans | -143.7 | 119.1 | 175.6 | 175.6 | -98.4 | 0 | 0 | 0 | 110.8 | I415 T424 P428 T429 F439 | I415-Y432 HydrophobicContact CG2-CD2 3.77Å; I415-Y432 HydrophobicContact CG2-CE2 4.35Å; T424-Y432 HydrophobicContact CG2-CD1 3.81Å; T424-Y432 HydrophobicContact CG2-CD2 4.38Å; T424-Y432 HydrophobicContact CG2-CE1 3.42Å; T424-Y432 VanDerWaalsContact CG2-CE1 3.42Å; T424-Y432 HydrophobicContact CG2-CE2 4.04Å; T424-Y432 HydrophobicContact CG2-CG 4.27Å; P428-Y432 PolarHBondContact O-N 2.8Å; T429-Y432 WeakPolarHBondContact CA-O 3.34Å; Y432-F439 AromaticContact CD2-CD1 3.79Å; Y432-F439 HydrophobicContact CD2-CD1 3.79Å; Y432-F439 AromaticContact CD2-CE1 3.75Å; Y432-F439 HydrophobicContact CD2-CE1 3.75Å; Y432-F439 HydrophobicContact CD2-CG 4.26Å; Y432-F439 HydrophobicContact CD2-CZ 4.18Å; Y432-F439 HydrophobicContact CE2-CB 4.46Å; Y432-F439 AromaticContact CE2-CD1 3.91Å; Y432-F439 HydrophobicContact CE2-CD1 3.91Å; Y432-F439 HydrophobicContact CE2-CE1 4.34Å; Y432-F439 HydrophobicContact CE2-CG 4.17Å | ||
| 433 | N | 69.2 | Low | 65.1 | Low | 53 Ų | 53 | 62 Ų | 62 | 28% | 0.283 | 32% | 0.323 | S | S | . | . | trans | -126.3 | 107.7 | 172.8 | 179.1 | 17.1 | 0 | 0 | 0 | 110.3 | S435 N436 F439 | N433-S435 PolarHBondContact ND2-OG 2.99Å; N433-S435 VanDerWaalsContact ND2-OG 3.07Å; N433-S435 PolarHBondContact O-N 2.88Å; N433-S435 VanDerWaalsContact O-N 3.16Å; N433-S435 PolarHBondContact OD1-N 2.86Å; N433-S435 VanDerWaalsContact OD1-N 3.15Å; N433-S435 PolarHBondContact OD1-OG 3.19Å; N433-N436 HydrophobicContact CB-CB 4.26Å; N433-N436 WeakPolarHBondContact O-CB 3.21Å; N433-N436 PolarHBondContact O-N 2.82Å; N433-F439 WeakPolarHBondContact O-CD2 3.27Å | ||
| 434 | S | 60.1 | Low | 64.7 | Low | 95 Ų | 95 | 61.3 Ų | 61.3 | 66% | 0.664 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -14.1 | -179.5 | 53.5 | 0 | 0 | 0 | 0 | 114.9 | ||
| 435 | S | 59.5 | Low | 64.1 | Low | 99 Ų | 99 | 61.8 Ų | 61.8 | 69% | 0.692 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -9.1 | 173.2 | 69.7 | 0 | 0 | 0 | 0 | 114.2 | N433 | N433-S435 PolarHBondContact ND2-OG 2.99Å; N433-S435 VanDerWaalsContact ND2-OG 3.07Å; N433-S435 PolarHBondContact O-N 2.88Å; N433-S435 VanDerWaalsContact O-N 3.16Å; N433-S435 PolarHBondContact OD1-N 2.86Å; N433-S435 VanDerWaalsContact OD1-N 3.15Å; N433-S435 PolarHBondContact OD1-OG 3.19Å |
| 436 | N | 62.2 | Low | 63.3 | Low | 44 Ų | 44 | 60.2 Ų | 60.2 | 24% | 0.235 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -83.8 | 129.5 | -179.9 | -173.5 | -11.6 | 0 | 0 | 0 | 110.5 | N433 L438 F439 | N433-N436 HydrophobicContact CB-CB 4.26Å; N433-N436 WeakPolarHBondContact O-CB 3.21Å; N433-N436 PolarHBondContact O-N 2.82Å; N436-L438 PolarHBondContact O-N 2.82Å; N436-L438 VanDerWaalsContact O-N 3.07Å; N436-L438 PolarHBondContact OD1-N 3.4Å; N436-L438 VanDerWaalsContact OD1-N 3.1Å; N436-F439 HydrophobicContact CB-CD2 4.19Å; N436-F439 PolarHBondContact O-N 2.95Å |
| 437 | Q | 57.7 | Low | 62.1 | Low | 147 Ų | 147 | 60.5 Ų | 60.5 | 69% | 0.687 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -55 | -27.3 | 178 | -65.2 | -179.3 | -7.5 | 0 | 0 | 112.9 | F439 N440 L447 | Q437-F439 PolarHBondContact O-N 3.35Å; Q437-N440 WeakPolarHBondContact O-CB 3.38Å; Q437-N440 PolarHBondContact O-N 3.42Å; Q437-L447 WeakPolarHBondContact O-CD1 3.41Å |
| 438 | L | 56.1 | Low | 61 | Low | 15 Ų | 15 | 61.5 Ų | 61.5 | 8% | 0.079 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -59.3 | -10.5 | 172.5 | -82.8 | 167.5 | 0 | 0 | 0 | 115.5 | N436 F444 L447 V451 Y459 | N436-L438 PolarHBondContact O-N 2.82Å; N436-L438 VanDerWaalsContact O-N 3.07Å; N436-L438 PolarHBondContact OD1-N 3.4Å; N436-L438 VanDerWaalsContact OD1-N 3.1Å; L438-F444 WeakPolarHBondContact O-CD2 3.19Å; L438-F444 WeakPolarHBondContact O-CE2 3.45Å; L438-L447 HydrophobicContact CD2-CB 4.22Å; L438-V451 HydrophobicContact CD2-CG2 4.28Å; L438-Y459 HydrophobicContact CD1-CD1 4.27Å; L438-Y459 HydrophobicContact CD1-CD2 3.36Å; L438-Y459 HydrophobicContact CD1-CE2 3.9Å; L438-Y459 HydrophobicContact CD1-CG 3.6Å |
| 439 | F | 57.1 | Low | 59.8 | Low | 27 Ų | 27 | 68.7 Ų | 68.7 | 12% | 0.118 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -112.3 | 6.2 | 172.5 | -64 | -83.6 | 0 | 0 | 0 | 113.3 | L412 I415 Y432 N433 N436 Q437 I460 | L412-F439 HydrophobicContact CD2-CE1 3.85Å; L412-F439 HydrophobicContact CD2-CZ 4.14Å; I415-F439 HydrophobicContact CG2-CE1 4.39Å; Y432-F439 AromaticContact CD2-CD1 3.79Å; Y432-F439 HydrophobicContact CD2-CD1 3.79Å; Y432-F439 AromaticContact CD2-CE1 3.75Å; Y432-F439 HydrophobicContact CD2-CE1 3.75Å; Y432-F439 HydrophobicContact CD2-CG 4.26Å; Y432-F439 HydrophobicContact CD2-CZ 4.18Å; Y432-F439 HydrophobicContact CE2-CB 4.46Å; Y432-F439 AromaticContact CE2-CD1 3.91Å; Y432-F439 HydrophobicContact CE2-CD1 3.91Å; Y432-F439 HydrophobicContact CE2-CE1 4.34Å; Y432-F439 HydrophobicContact CE2-CG 4.17Å; N433-F439 WeakPolarHBondContact O-CD2 3.27Å; N436-F439 HydrophobicContact CB-CD2 4.19Å; N436-F439 PolarHBondContact O-N 2.95Å; Q437-F439 PolarHBondContact O-N 3.35Å; F439-I460 HydrophobicContact CZ-CD1 3.82Å |
| 440 | N | 56.8 | Low | 58.9 | Low | 91 Ų | 91 | 70.3 Ų | 70.3 | 49% | 0.487 | 37% | 0.367 | S | S | . | . | trans | -80.5 | 127.1 | -176.6 | -165.3 | 1.3 | 0 | 0 | 0 | 111.8 | Q437 N442 H443 F444 | Q437-N440 WeakPolarHBondContact O-CB 3.38Å; Q437-N440 PolarHBondContact O-N 3.42Å; N440-N442 VanDerWaalsContact C-N 3.26Å; N440-N442 PolarHBondContact O-N 3.15Å; N440-N442 VanDerWaalsContact O-N 3.1Å; N440-H443 PolarHBondContact O-N 3.12Å; N440-F444 PolarHBondContact O-N 3.15Å | ||
| 441 | Y | 48 | Very low | 58.1 | Low | 152 Ų | 152 | 70.5 Ų | 70.5 | 60% | 0.596 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -22.6 | -157.2 | -147.7 | -92.1 | 0 | 0 | 0 | 114.7 | Y416 | Y416-Y441 HydrophobicContact CD1-CE2 4.24Å; Y416-Y441 HydrophobicContact CE1-CD2 4.05Å; Y416-Y441 HydrophobicContact CE1-CE1 4.47Å; Y416-Y441 AromaticContact CE1-CE2 3.63Å; Y416-Y441 HydrophobicContact CE1-CE2 3.63Å; Y416-Y441 AromaticContact CE1-CZ 3.87Å; Y416-Y441 AromaticContact CE2-CD2 3.73Å; Y416-Y441 HydrophobicContact CE2-CD2 3.73Å; Y416-Y441 HydrophobicContact CE2-CE2 4.08Å; Y416-Y441 HydrophobicContact CE2-CG 4.36Å; Y416-Y441 AromaticContact CZ-CD2 3.46Å; Y416-Y441 VanDerWaalsContact CZ-CD2 3.46Å; Y416-Y441 AromaticContact CZ-CE2 3.56Å; Y416-Y441 AromaticContact CZ-CG 3.88Å; Y416-Y441 WeakPolarHBondContact OH-CA 3.5Å; Y416-Y441 WeakPolarHBondContact OH-CD2 3.45Å; Y416-Y441 VanDerWaalsContact OH-CG 3.3Å; Y416-Y441 PolarHBondContact OH-O 3.23Å |
| 442 | N | 48 | Very low | 57.4 | Low | 128 Ų | 128 | 72.8 Ų | 72.8 | 68% | 0.684 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -13.8 | -175 | -63.5 | -3.2 | 0 | 0 | 0 | 113.7 | N440 | N440-N442 VanDerWaalsContact C-N 3.26Å; N440-N442 PolarHBondContact O-N 3.15Å; N440-N442 VanDerWaalsContact O-N 3.1Å |
| 443 | H | 52.4 | Low | 56.9 | Low | 113 Ų | 113 | 73.5 Ų | 73.5 | 52% | 0.523 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.8 | -5.6 | -176.5 | -67 | -51.5 | 0 | 0 | 0 | 114.5 | N440 T445 D446 L447 | N440-H443 PolarHBondContact O-N 3.12Å; H443-T445 VanDerWaalsContact C-N 3.28Å; H443-T445 PolarHBondContact O-N 2.89Å; H443-T445 VanDerWaalsContact O-N 3.14Å; H443-D446 PolarHBondContact O-N 3.2Å; H443-L447 HydrophobicContact CB-CD1 3.84Å; H443-L447 HydrophobicContact CB-CG 4.12Å; H443-L447 WeakPolarHBondContact O-CB 3.38Å; H443-L447 WeakPolarHBondContact O-CG 3.48Å; H443-L447 PolarHBondContact O-N 3.17Å |
| 444 | F | 52.6 | Low | 56.5 | Low | 1 Ų | 1 | 76 Ų | 76 | 0% | 0.004 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -49.1 | -44.4 | -176.3 | -168.3 | -97.7 | 0 | 0 | 0 | 114 | L412 L413 Y416 Y417 L438 N440 D446 L448 | L412-F444 HydrophobicContact CB-CZ 4.35Å; L412-F444 HydrophobicContact CD2-CE2 4.08Å; L412-F444 HydrophobicContact CD2-CZ 4.12Å; L413-F444 HydrophobicContact CD2-CE1 3.96Å; Y416-F444 HydrophobicContact CD1-CD1 4.03Å; Y416-F444 HydrophobicContact CD1-CE1 4.1Å; Y416-F444 HydrophobicContact CD1-CG 4.44Å; Y416-F444 HydrophobicContact CD2-CB 4.26Å; Y416-F444 AromaticContact CD2-CD1 3.87Å; Y416-F444 HydrophobicContact CD2-CD1 3.87Å; Y416-F444 AromaticContact CD2-CD2 3.36Å; Y416-F444 HydrophobicContact CD2-CD2 3.36Å; Y416-F444 AromaticContact CD2-CE1 3.96Å; Y416-F444 HydrophobicContact CD2-CE1 3.96Å; Y416-F444 AromaticContact CD2-CE2 3.49Å; Y416-F444 HydrophobicContact CD2-CE2 3.49Å; Y416-F444 VanDerWaalsContact CD2-CE2 3.49Å; Y416-F444 AromaticContact CD2-CG 3.57Å; Y416-F444 HydrophobicContact CD2-CG 3.57Å; Y416-F444 AromaticContact CD2-CZ 3.79Å; Y416-F444 HydrophobicContact CD2-CZ 3.79Å; Y416-F444 HydrophobicContact CE1-CB 4.37Å; Y416-F444 AromaticContact CE1-CD1 3.99Å; Y416-F444 HydrophobicContact CE1-CD1 3.99Å; Y416-F444 HydrophobicContact CE1-CG 4.2Å; Y416-F444 HydrophobicContact CE2-CB 3.43Å; Y416-F444 VanDerWaalsContact CE2-CB 3.43Å; Y416-F444 AromaticContact CE2-CD1 3.83Å; Y416-F444 HydrophobicContact CE2-CD1 3.83Å; Y416-F444 AromaticContact CE2-CD2 3.37Å; Y416-F444 HydrophobicContact CE2-CD2 3.37Å; Y416-F444 HydrophobicContact CE2-CE1 4.39Å; Y416-F444 HydrophobicContact CE2-CE2 4.02Å; Y416-F444 AromaticContact CE2-CG 3.26Å; Y416-F444 HydrophobicContact CE2-CG 3.26Å; Y416-F444 HydrophobicContact CE2-CZ 4.48Å; Y416-F444 AromaticContact CG-CD1 3.95Å; Y416-F444 HydrophobicContact CG-CD1 3.95Å; Y416-F444 HydrophobicContact CG-CD2 4.18Å; Y416-F444 AromaticContact CG-CE1 3.78Å; Y416-F444 HydrophobicContact CG-CE1 3.78Å; Y416-F444 HydrophobicContact CG-CE2 4.04Å; Y416-F444 HydrophobicContact CG-CG 4.14Å; Y416-F444 AromaticContact CG-CZ 3.83Å; Y416-F444 HydrophobicContact CG-CZ 3.83Å; Y416-F444 VanDerWaalsContact CZ-CB 3.48Å; Y416-F444 AromaticContact CZ-CD1 3.86Å; Y416-F444 AromaticContact CZ-CG 3.59Å; Y416-F444 WeakPolarHBondContact OH-CB 3.18Å; Y417-F444 HydrophobicContact CE2-CD1 4.44Å; Y417-F444 HydrophobicContact CE2-CE1 4.23Å; L438-F444 WeakPolarHBondContact O-CD2 3.19Å; L438-F444 WeakPolarHBondContact O-CE2 3.45Å; N440-F444 PolarHBondContact O-N 3.15Å; F444-D446 VanDerWaalsContact C-N 3.28Å; F444-D446 PolarHBondContact O-N 3.31Å; F444-L448 HydrophobicContact CD1-CD1 3.85Å; F444-L448 HydrophobicContact CD1-CG 4.42Å; F444-L448 HydrophobicContact CE1-CD1 3.34Å; F444-L448 HydrophobicContact CE1-CG 4.22Å; F444-L448 HydrophobicContact CZ-CD1 3.78Å; F444-L448 HydrophobicContact CZ-CG 4.45Å; F444-L448 WeakPolarHBondContact O-CB 3.31Å; F444-L448 WeakPolarHBondContact O-CG 3.18Å; F444-L448 PolarHBondContact O-N 2.89Å |
| 445 | T | 52.1 | Low | 56.6 | Low | 44 Ų | 44 | 75 Ų | 75 | 27% | 0.27 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -76.6 | -9.2 | -178.6 | 48.6 | 0 | 0 | 0 | 0 | 115.3 | Y417 H443 K449 | Y417-T445 WeakPolarHBondContact OH-CG2 3.24Å; H443-T445 VanDerWaalsContact C-N 3.28Å; H443-T445 PolarHBondContact O-N 2.89Å; H443-T445 VanDerWaalsContact O-N 3.14Å; T445-K449 VanDerWaalsContact O-CE 3.24Å; T445-K449 WeakPolarHBondContact O-CE 3.47Å; T445-K449 WeakPolarHBondContact O-CG 3.47Å |
| 446 | D | 54.5 | Low | 56.7 | Low | 75 Ų | 75 | 70.4 Ų | 70.4 | 40% | 0.401 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -105.8 | -36.8 | 176.6 | -60.2 | -56.1 | 0 | 0 | 0 | 110.6 | H443 F444 L448 K449 S450 | H443-D446 PolarHBondContact O-N 3.2Å; F444-D446 VanDerWaalsContact C-N 3.28Å; F444-D446 PolarHBondContact O-N 3.31Å; D446-L448 VanDerWaalsContact C-N 3.32Å; D446-L448 PolarHBondContact O-N 3.12Å; D446-K449 WeakPolarHBondContact O-CA 3.4Å; D446-K449 WeakPolarHBondContact O-CB 3.49Å; D446-K449 PolarHBondContact O-N 2.83Å; D446-K449 WeakPolarHBondContact OD1-CE 3.37Å; D446-K449 IonicContact OD1-NZ 2.63Å; D446-K449 PolarHBondContact OD1-NZ 2.81Å; D446-S450 PolarHBondContact O-N 3.18Å; D446-S450 PolarHBondContact O-OG 3.04Å |
| 447 | L | 54.7 | Low | 56.7 | Low | 38 Ų | 38 | 71.8 Ų | 71.8 | 20% | 0.199 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -56 | -43.8 | 164.7 | -71.1 | 167 | 0 | 0 | 0 | 111.5 | Q437 L438 H443 K449 S450 V451 | Q437-L447 WeakPolarHBondContact O-CD1 3.41Å; L438-L447 HydrophobicContact CD2-CB 4.22Å; H443-L447 HydrophobicContact CB-CD1 3.84Å; H443-L447 HydrophobicContact CB-CG 4.12Å; H443-L447 WeakPolarHBondContact O-CB 3.38Å; H443-L447 WeakPolarHBondContact O-CG 3.48Å; H443-L447 PolarHBondContact O-N 3.17Å; L447-K449 PolarHBondContact O-N 2.97Å; L447-S450 PolarHBondContact O-N 3.2Å; L447-S450 PolarHBondContact O-OG 2.73Å; L447-V451 VanDerWaalsContact O-CB 3.27Å; L447-V451 WeakPolarHBondContact O-CB 3.05Å; L447-V451 VanDerWaalsContact O-CG2 3.29Å; L447-V451 WeakPolarHBondContact O-CG2 3.34Å; L447-V451 PolarHBondContact O-N 2.79Å |
| 448 | L | 55.5 | Low | 56.9 | Low | 31 Ų | 31 | 71.6 Ų | 71.6 | 16% | 0.162 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -70.5 | -3 | 173.8 | -70.2 | -174 | 0 | 0 | 0 | 114.9 | F409 L412 L413 F444 D446 I456 | F409-L448 HydrophobicContact CD1-CD2 4.39Å; F409-L448 HydrophobicContact CE1-CD2 4.05Å; L412-L448 HydrophobicContact CD1-CD2 4.26Å; L413-L448 HydrophobicContact CD2-CD1 4.07Å; F444-L448 HydrophobicContact CD1-CD1 3.85Å; F444-L448 HydrophobicContact CD1-CG 4.42Å; F444-L448 HydrophobicContact CE1-CD1 3.34Å; F444-L448 HydrophobicContact CE1-CG 4.22Å; F444-L448 HydrophobicContact CZ-CD1 3.78Å; F444-L448 HydrophobicContact CZ-CG 4.45Å; F444-L448 WeakPolarHBondContact O-CB 3.31Å; F444-L448 WeakPolarHBondContact O-CG 3.18Å; F444-L448 PolarHBondContact O-N 2.89Å; D446-L448 VanDerWaalsContact C-N 3.32Å; D446-L448 PolarHBondContact O-N 3.12Å; L448-I456 HydrophobicContact CD2-CD1 3.65Å |
| 449 | K | 58.2 | Low | 57.3 | Low | 152 Ų | 152 | 76.8 Ų | 76.8 | 66% | 0.661 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -97.3 | -34.6 | 167.1 | -61.1 | 167.7 | -170.4 | 162.3 | 0 | 112 | T445 D446 L447 | T445-K449 VanDerWaalsContact O-CE 3.24Å; T445-K449 WeakPolarHBondContact O-CE 3.47Å; T445-K449 WeakPolarHBondContact O-CG 3.47Å; D446-K449 WeakPolarHBondContact O-CA 3.4Å; D446-K449 WeakPolarHBondContact O-CB 3.49Å; D446-K449 PolarHBondContact O-N 2.83Å; D446-K449 WeakPolarHBondContact OD1-CE 3.37Å; D446-K449 IonicContact OD1-NZ 2.63Å; D446-K449 PolarHBondContact OD1-NZ 2.81Å; L447-K449 PolarHBondContact O-N 2.97Å |
| 450 | S | 58.4 | Low | 58 | Low | 90 Ų | 90 | 75.9 Ų | 75.9 | 63% | 0.629 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -86.8 | -30.2 | -176.8 | 64.1 | 0 | 0 | 0 | 0 | 113.6 | D446 L447 | D446-S450 PolarHBondContact O-N 3.18Å; D446-S450 PolarHBondContact O-OG 3.04Å; L447-S450 PolarHBondContact O-N 3.2Å; L447-S450 PolarHBondContact O-OG 2.73Å |
| 451 | V | 60 | Low | 58.8 | Low | 28 Ų | 28 | 77.9 Ų | 77.9 | 17% | 0.17 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -89.9 | 129.4 | -177.1 | -178.2 | 0 | 0 | 0 | 0 | 110.2 | L438 L447 E455 I456 | L438-V451 HydrophobicContact CD2-CG2 4.28Å; L447-V451 VanDerWaalsContact O-CB 3.27Å; L447-V451 WeakPolarHBondContact O-CB 3.05Å; L447-V451 VanDerWaalsContact O-CG2 3.29Å; L447-V451 WeakPolarHBondContact O-CG2 3.34Å; L447-V451 PolarHBondContact O-N 2.79Å; V451-E455 HydrophobicContact CG1-CB 3.51Å; V451-E455 HydrophobicContact CG1-CG 4.49Å; V451-I456 HydrophobicContact CG1-CD1 4.37Å; V451-I456 HydrophobicContact CG1-CG1 3.94Å |
| 452 | S | 61.3 | Low | 60.2 | Low | 49 Ų | 49 | 71.5 Ų | 71.5 | 34% | 0.343 | 35% | 0.354 | S | S | . | . | trans | -71 | 161.3 | -179.8 | 67.4 | 0 | 0 | 0 | 0 | 113 | D454 E455 I456 | S452-D454 PolarHBondContact O-N 2.65Å; S452-E455 VanDerWaalsContact CB-OE2 3.25Å; S452-E455 WeakPolarHBondContact CB-OE2 3.45Å; S452-E455 PolarHBondContact N-OE2 3.1Å; S452-E455 PolarHBondContact O-N 2.85Å; S452-E455 WeakPolarHBondContact OG-CB 3.4Å; S452-E455 VanDerWaalsContact OG-CD 3.29Å; S452-E455 VanDerWaalsContact OG-CG 3.27Å; S452-E455 WeakPolarHBondContact OG-CG 3.28Å; S452-E455 PolarHBondContact OG-N 2.95Å; S452-E455 PolarHBondContact OG-OE2 2.97Å; S452-I456 PolarHBondContact O-N 3.14Å | ||
| 453 | I | 61.5 | Low | 62 | Low | 72 Ų | 72 | 66.7 Ų | 66.7 | 37% | 0.369 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.1 | -39.6 | 175.2 | -57.4 | 171.9 | 0 | 0 | 0 | 110.4 | P406 F409 I456 Y457 | P406-I453 HydrophobicContact CG-CD1 3.96Å; P406-I453 HydrophobicContact CG-CG1 4.32Å; P406-I453 HydrophobicContact CG-CG2 4.15Å; F409-I453 HydrophobicContact CE2-CB 4.38Å; F409-I453 HydrophobicContact CE2-CG1 3.9Å; F409-I453 HydrophobicContact CE2-CG2 4.38Å; F409-I453 HydrophobicContact CZ-CG1 4.24Å; I453-I456 PolarHBondContact O-N 3.28Å; I453-Y457 HydrophobicContact CG2-CD2 3.86Å; I453-Y457 HydrophobicContact CG2-CE2 3.7Å; I453-Y457 VanDerWaalsContact O-CD2 3.27Å; I453-Y457 WeakPolarHBondContact O-CD2 3.13Å; I453-Y457 PolarHBondContact O-N 2.8Å |
| 454 | D | 59.2 | Low | 63.6 | Low | 106 Ų | 106 | 64.1 Ų | 64.1 | 57% | 0.567 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -70.2 | -35.2 | -179 | -63.2 | -46.5 | 0 | 0 | 0 | 112.7 | S452 Y457 Q458 | S452-D454 PolarHBondContact O-N 2.65Å; D454-Y457 PolarHBondContact O-N 3.46Å; D454-Q458 WeakPolarHBondContact O-CG 3.5Å; D454-Q458 PolarHBondContact O-N 3.32Å; D454-Q458 VanDerWaalsContact O-N 3.11Å; D454-Q458 PolarHBondContact O-NE2 2.89Å |
| 455 | E | 62.6 | Low | 65.4 | Low | 73 Ų | 73 | 64.8 Ų | 64.8 | 34% | 0.341 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.8 | -40.3 | 170.8 | -74.2 | 162.7 | 126.3 | 0 | 0 | 111.3 | V451 S452 Y457 Q458 Y459 | V451-E455 HydrophobicContact CG1-CB 3.51Å; V451-E455 HydrophobicContact CG1-CG 4.49Å; S452-E455 VanDerWaalsContact CB-OE2 3.25Å; S452-E455 WeakPolarHBondContact CB-OE2 3.45Å; S452-E455 PolarHBondContact N-OE2 3.1Å; S452-E455 PolarHBondContact O-N 2.85Å; S452-E455 WeakPolarHBondContact OG-CB 3.4Å; S452-E455 VanDerWaalsContact OG-CD 3.29Å; S452-E455 VanDerWaalsContact OG-CG 3.27Å; S452-E455 WeakPolarHBondContact OG-CG 3.28Å; S452-E455 PolarHBondContact OG-N 2.95Å; S452-E455 PolarHBondContact OG-OE2 2.97Å; E455-Y457 VanDerWaalsContact C-N 3.29Å; E455-Y457 PolarHBondContact O-N 3.26Å; E455-Q458 WeakPolarHBondContact O-CA 3.37Å; E455-Q458 WeakPolarHBondContact O-CB 3.29Å; E455-Q458 PolarHBondContact O-N 3.36Å; E455-Y459 HydrophobicContact CB-CD2 4.44Å; E455-Y459 HydrophobicContact CB-CE2 4.15Å; E455-Y459 WeakPolarHBondContact O-CD2 3.32Å; E455-Y459 PolarHBondContact O-N 3.45Å |
| 456 | I | 62.5 | Low | 67.2 | Low | 2 Ų | 2 | 62.7 Ų | 62.7 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.3 | -37.4 | 174.8 | -77 | 160.6 | 0 | 0 | 0 | 111.8 | I408 F409 L412 L448 V451 S452 I453 Q458 Y459 I460 | I408-I456 HydrophobicContact CD1-CG2 4.01Å; I408-I456 HydrophobicContact CG1-CG2 4.02Å; I408-I456 HydrophobicContact CG2-CG2 3.93Å; F409-I456 HydrophobicContact CD2-CD1 4.41Å; F409-I456 HydrophobicContact CE1-CD1 3.84Å; F409-I456 HydrophobicContact CE2-CD1 3.57Å; F409-I456 HydrophobicContact CE2-CG2 4.4Å; F409-I456 HydrophobicContact CZ-CD1 3.24Å; L412-I456 HydrophobicContact CD1-CD1 4.48Å; L412-I456 HydrophobicContact CD1-CG1 4.36Å; L412-I456 HydrophobicContact CD1-CG2 3.63Å; L448-I456 HydrophobicContact CD2-CD1 3.65Å; V451-I456 HydrophobicContact CG1-CD1 4.37Å; V451-I456 HydrophobicContact CG1-CG1 3.94Å; S452-I456 PolarHBondContact O-N 3.14Å; I453-I456 PolarHBondContact O-N 3.28Å; I456-Q458 VanDerWaalsContact C-N 3.31Å; I456-Q458 PolarHBondContact O-N 2.99Å; I456-Y459 PolarHBondContact O-N 2.78Å; I456-I460 PolarHBondContact O-N 3.46Å |
| 457 | Y | 62.4 | Low | 69 | Low | 73 Ų | 73 | 59.1 Ų | 59.1 | 29% | 0.286 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -71.8 | -18.4 | 171.4 | -81.6 | -67.8 | 0 | 0 | 0 | 114.4 | I408 I453 D454 E455 | I408-Y457 HydrophobicContact CB-CE1 3.92Å; I408-Y457 HydrophobicContact CD1-CD1 3.46Å; I408-Y457 VanDerWaalsContact CD1-CD1 3.46Å; I408-Y457 HydrophobicContact CD1-CE1 3.63Å; I408-Y457 HydrophobicContact CD1-CG 4.1Å; I408-Y457 HydrophobicContact CG1-CE1 4.39Å; I408-Y457 HydrophobicContact CG2-CD1 4.41Å; I408-Y457 HydrophobicContact CG2-CD2 4.33Å; I408-Y457 HydrophobicContact CG2-CE1 3.86Å; I408-Y457 HydrophobicContact CG2-CE2 3.75Å; I408-Y457 VanDerWaalsContact CG2-CZ 3.48Å; I453-Y457 HydrophobicContact CG2-CD2 3.86Å; I453-Y457 HydrophobicContact CG2-CE2 3.7Å; I453-Y457 VanDerWaalsContact O-CD2 3.27Å; I453-Y457 WeakPolarHBondContact O-CD2 3.13Å; I453-Y457 PolarHBondContact O-N 2.8Å; D454-Y457 PolarHBondContact O-N 3.46Å; E455-Y457 VanDerWaalsContact C-N 3.29Å; E455-Y457 PolarHBondContact O-N 3.26Å |
| 458 | Q | 61.2 | Low | 70.7 | Confident | 144 Ų | 144 | 57.3 Ų | 57.3 | 67% | 0.673 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -78.9 | -38.6 | 169.4 | -70 | 164.6 | 54.4 | 0 | 0 | 111.6 | D454 E455 I456 | D454-Q458 WeakPolarHBondContact O-CG 3.5Å; D454-Q458 PolarHBondContact O-N 3.32Å; D454-Q458 VanDerWaalsContact O-N 3.11Å; D454-Q458 PolarHBondContact O-NE2 2.89Å; E455-Q458 WeakPolarHBondContact O-CA 3.37Å; E455-Q458 WeakPolarHBondContact O-CB 3.29Å; E455-Q458 PolarHBondContact O-N 3.36Å; I456-Q458 VanDerWaalsContact C-N 3.31Å; I456-Q458 PolarHBondContact O-N 2.99Å |
| 459 | Y | 64.7 | Low | 72.5 | Confident | 124 Ų | 124 | 56.9 Ų | 56.9 | 49% | 0.486 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -80 | -33.6 | -179.4 | -68.2 | -61.5 | 0 | 0 | 0 | 114.3 | L438 E455 I456 | L438-Y459 HydrophobicContact CD1-CD1 4.27Å; L438-Y459 HydrophobicContact CD1-CD2 3.36Å; L438-Y459 HydrophobicContact CD1-CE2 3.9Å; L438-Y459 HydrophobicContact CD1-CG 3.6Å; E455-Y459 HydrophobicContact CB-CD2 4.44Å; E455-Y459 HydrophobicContact CB-CE2 4.15Å; E455-Y459 WeakPolarHBondContact O-CD2 3.32Å; E455-Y459 PolarHBondContact O-N 3.45Å; I456-Y459 PolarHBondContact O-N 2.78Å |
| 460 | I | 71 | Confident | 74 | Confident | 8 Ų | 8 | 49.7 Ų | 49.7 | 4% | 0.041 | 25% | 0.251 | C | S | . | . | trans | -124.2 | 116.6 | -179.4 | -68.3 | 172.6 | 0 | 0 | 0 | 108.5 | I408 L411 L412 E430 L431 F439 I456 P462 | I408-I460 HydrophobicContact CD1-CB 4Å; I408-I460 HydrophobicContact CD1-CG2 3.9Å; I408-I460 VanDerWaalsContact CD1-O 3.24Å; I408-I460 WeakPolarHBondContact CD1-O 3.37Å; I408-I460 HydrophobicContact CG1-CG2 4.13Å; L411-I460 HydrophobicContact CD2-CG2 4.36Å; L412-I460 HydrophobicContact CD1-CD1 3.98Å; L412-I460 HydrophobicContact CD2-CD1 3.46Å; L412-I460 VanDerWaalsContact CD2-CD1 3.46Å; L412-I460 HydrophobicContact CG-CD1 3.55Å; E430-I460 WeakPolarHBondContact O-CA 3.34Å; L431-I460 HydrophobicContact CD2-CG2 3.89Å; F439-I460 HydrophobicContact CZ-CD1 3.82Å; I456-I460 PolarHBondContact O-N 3.46Å; I460-P462 HydrophobicContact CG2-CG 4.38Å; I460-P462 WeakPolarHBondContact O-CD 3.35Å | ||
| 461 | R | 73.2 | Confident | 75.7 | Confident | 132 Ų | 132 | 45.4 Ų | 45.4 | 50% | 0.498 | 22% | 0.221 | S | C | . | . | trans | -128.2 | 79.4 | -172.6 | -167.2 | 174.6 | 178 | -148.1 | -4.3 | 110.7 | E430 C463 | E430-R461 PolarHBondContact O-N 3.37Å; R461-C463 PolarHBondContact O-N 2.87Å | ||
| 462 | P | 78.7 | Confident | 77.2 | Confident | 18 Ų | 18 | 44.1 Ų | 44.1 | 12% | 0.117 | 21% | 0.213 | C | C | . | . | trans | -57.1 | 129.3 | 177.4 | -18.7 | 30.3 | 0 | 0 | 0 | 110.5 | Q354 I356 L411 L431 I460 | Q354-P462 HydrophobicContact CB-CB 4.18Å; Q354-P462 HydrophobicContact CB-CG 4.33Å; Q354-P462 HydrophobicContact CG-CB 4.17Å; Q354-P462 HydrophobicContact CG-CG 3.95Å; I356-P462 WeakPolarHBondContact CD1-O 3.45Å; L411-P462 HydrophobicContact CD2-CG 4.17Å; L431-P462 HydrophobicContact CD2-CB 3.95Å; L431-P462 HydrophobicContact CD2-CG 3.78Å; I460-P462 HydrophobicContact CG2-CG 4.38Å; I460-P462 WeakPolarHBondContact O-CD 3.35Å | ||
| 463 | C | 84.9 | Confident | 78.5 | Confident | 28 Ų | 28 | 44.4 Ų | 44.4 | 19% | 0.189 | 21% | 0.208 | C | C | . | . | trans | -143.2 | 167.1 | -179.4 | 72.9 | 0 | 0 | 0 | 0 | 111.7 | V328 R461 T465 S466 | V328-C463 WeakPolarHBondContact CG1-O 3.44Å; R461-C463 PolarHBondContact O-N 2.87Å; C463-T465 PolarHBondContact O-N 3.17Å; C463-T465 PolarHBondContact SG-OG1 3.49Å; C463-S466 PolarHBondContact N-OG 2.98Å; C463-S466 VanDerWaalsContact O-CB 3.29Å; C463-S466 WeakPolarHBondContact O-CB 3.4Å; C463-S466 PolarHBondContact O-N 3.28Å; C463-S466 PolarHBondContact O-OG 2.91Å; C463-S466 PolarHBondContact SG-OG 3.06Å | ||
| 464 | T | 87.3 | Confident | 79.8 | Confident | 58 Ų | 58 | 41 Ų | 41 | 36% | 0.356 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -65.6 | -19.2 | -178.3 | 55.1 | 0 | 0 | 0 | 0 | 113.1 | H323 V328 | H323-T464 HydrophobicContact CB-CG2 4.05Å; H323-T464 PolarHBondContact CE1-O 2.97Å; H323-T464 WeakPolarHBondContact ND1-CB 3.45Å; V328-T464 HydrophobicContact CG2-CG2 3.97Å |
| 465 | T | 89.3 | Confident | 81.2 | Confident | 15 Ų | 15 | 36 Ų | 36 | 9% | 0.092 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -88.1 | -9.3 | 173.4 | 63.8 | 0 | 0 | 0 | 0 | 113.8 | C463 V468 Y469 P512 R515 | C463-T465 PolarHBondContact O-N 3.17Å; C463-T465 PolarHBondContact SG-OG1 3.49Å; T465-V468 PolarHBondContact O-N 3.26Å; T465-Y469 PolarHBondContact O-N 3.25Å; T465-Y469 VanDerWaalsContact O-N 3.12Å; T465-P512 PolarHBondContact OG1-O 3.07Å; T465-R515 HydrophobicContact CG2-CB 4.21Å; T465-R515 WeakPolarHBondContact O-CD 3.48Å; T465-R515 PolarHBondContact O-NH1 3.15Å; T465-R515 VanDerWaalsContact O-NH1 3.15Å |
| 466 | S | 89.5 | Confident | 82.4 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68.2 | -40.8 | 165.4 | -50.4 | 0 | 0 | 0 | 0 | 111.2 | E430 C463 V468 Y469 S470 | E430-S466 WeakPolarHBondContact OE1-CB 3.38Å; E430-S466 PolarHBondContact OE1-OG 3.34Å; C463-S466 PolarHBondContact N-OG 2.98Å; C463-S466 VanDerWaalsContact O-CB 3.29Å; C463-S466 WeakPolarHBondContact O-CB 3.4Å; C463-S466 PolarHBondContact O-N 3.28Å; C463-S466 PolarHBondContact O-OG 2.91Å; C463-S466 PolarHBondContact SG-OG 3.06Å; S466-V468 VanDerWaalsContact C-N 3.33Å; S466-Y469 PolarHBondContact O-N 3.36Å; S466-S470 PolarHBondContact O-N 2.94Å; S466-S470 VanDerWaalsContact O-N 3.11Å; S466-S470 PolarHBondContact O-OG 2.63Å |
| 467 | D | 92 | Very high | 83.4 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.1 | -34.1 | 174.1 | -81.1 | -10.9 | 0 | 0 | 0 | 111.8 | L319 H323 V328 H329 C330 I332 S470 L471 | L319-D467 HydrophobicContact CD1-CB 4.41Å; L319-D467 HydrophobicContact CD2-CB 4.4Å; H323-D467 IonicContact CD2-OD2 2.69Å; H323-D467 IonicContact CE1-OD2 3.53Å; H323-D467 IonicContact NE2-OD2 2.73Å; H323-D467 PolarHBondContact NE2-OD2 3.38Å; V328-D467 WeakPolarHBondContact CG1-OD2 3.39Å; H329-D467 PolarHBondContact N-OD1 3.23Å; H329-D467 PolarHBondContact N-OD2 3.11Å; C330-D467 PolarHBondContact N-OD1 3.16Å; I332-D467 HydrophobicContact CD1-CB 3.56Å; I332-D467 WeakPolarHBondContact CD1-O 3.5Å; I332-D467 WeakPolarHBondContact CD1-OD1 3.34Å; D467-S470 PolarHBondContact O-N 3.07Å; D467-L471 WeakPolarHBondContact O-CB 3.27Å; D467-L471 PolarHBondContact O-N 3.17Å |
| 468 | V | 92.2 | Very high | 84.6 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.5 | -45.3 | 174.5 | 171.3 | 0 | 0 | 0 | 0 | 111.6 | T465 S466 S470 L471 A472 A507 M518 F521 | T465-V468 PolarHBondContact O-N 3.26Å; S466-V468 VanDerWaalsContact C-N 3.33Å; V468-S470 PolarHBondContact O-N 3.31Å; V468-L471 PolarHBondContact O-N 3.16Å; V468-A472 WeakPolarHBondContact O-CB 3.41Å; V468-A472 PolarHBondContact O-N 3.09Å; V468-A507 HydrophobicContact CG1-CB 3.71Å; V468-M518 HydrophobicContact CG2-CB 3.97Å; V468-M518 HydrophobicContact CG2-CG 4.44Å; V468-M518 HydrophobicContact CG2-SD 3.64Å; V468-F521 HydrophobicContact CG1-CB 4.24Å; V468-F521 HydrophobicContact CG1-CD1 4.31Å; V468-F521 HydrophobicContact CG1-CD2 3.88Å; V468-F521 HydrophobicContact CG1-CE2 4.3Å; V468-F521 HydrophobicContact CG1-CG 3.9Å; V468-F521 HydrophobicContact CG2-CB 4.49Å |
| 469 | Y | 92.1 | Very high | 85.6 | Confident | 23 Ų | 23 | 25.6 Ų | 25.6 | 9% | 0.09 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -58 | -48.7 | 174.7 | -178.2 | -83.4 | 0 | 0 | 0 | 111.3 | P428 T465 S466 L471 A472 K473 A507 L508 | P428-Y469 HydrophobicContact CB-CD1 3.61Å; P428-Y469 HydrophobicContact CB-CD2 4.18Å; P428-Y469 HydrophobicContact CB-CE1 4.01Å; P428-Y469 HydrophobicContact CB-CG 3.71Å; P428-Y469 HydrophobicContact CG-CD1 4.4Å; T465-Y469 PolarHBondContact O-N 3.25Å; T465-Y469 VanDerWaalsContact O-N 3.12Å; S466-Y469 PolarHBondContact O-N 3.36Å; Y469-L471 VanDerWaalsContact C-N 3.33Å; Y469-L471 PolarHBondContact O-N 3.06Å; Y469-A472 PolarHBondContact O-N 3Å; Y469-A472 VanDerWaalsContact O-N 3.1Å; Y469-K473 HydrophobicContact CD1-CG 4.1Å; Y469-K473 HydrophobicContact CE1-CD 4.28Å; Y469-K473 HydrophobicContact CE1-CG 3.83Å; Y469-K473 VanDerWaalsContact CZ-CE 3.42Å; Y469-K473 PolarHBondContact O-N 2.99Å; Y469-K473 WeakPolarHBondContact OH-CE 3.28Å; Y469-K473 PolarHBondContact OH-NZ 3.1Å; Y469-A507 WeakPolarHBondContact CA-O 3.47Å; Y469-L508 HydrophobicContact CD1-CD2 4.32Å; Y469-L508 HydrophobicContact CD2-CD2 3.73Å; Y469-L508 HydrophobicContact CE1-CD2 4.35Å; Y469-L508 HydrophobicContact CE2-CB 4.36Å; Y469-L508 HydrophobicContact CE2-CD2 3.75Å; Y469-L508 HydrophobicContact CG-CD2 4.01Å |
| 470 | S | 90.9 | Very high | 85.8 | Confident | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.007 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.6 | -40.3 | -179.9 | -50.6 | 0 | 0 | 0 | 0 | 111.9 | W426 S466 D467 V468 L474 | W426-S470 PolarHBondContact O-OG 3.45Å; S466-S470 PolarHBondContact O-N 2.94Å; S466-S470 VanDerWaalsContact O-N 3.11Å; S466-S470 PolarHBondContact O-OG 2.63Å; D467-S470 PolarHBondContact O-N 3.07Å; V468-S470 PolarHBondContact O-N 3.31Å; S470-L474 WeakPolarHBondContact O-CB 3.44Å; S470-L474 PolarHBondContact O-N 3.19Å; S470-L474 VanDerWaalsContact O-N 3.1Å |
| 471 | L | 93 | Very high | 85.5 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -68.2 | -35.2 | 174.1 | -177.8 | 55.5 | 0 | 0 | 0 | 112.4 | I315 L319 D467 V468 Y469 L474 I475 M518 F521 | I315-L471 HydrophobicContact CB-CD1 4.14Å; I315-L471 HydrophobicContact CD1-CD1 4.25Å; I315-L471 HydrophobicContact CG2-CD1 3.85Å; I315-L471 HydrophobicContact CG2-CD2 4.38Å; L319-L471 HydrophobicContact CD1-CD2 4.02Å; D467-L471 WeakPolarHBondContact O-CB 3.27Å; D467-L471 PolarHBondContact O-N 3.17Å; V468-L471 PolarHBondContact O-N 3.16Å; Y469-L471 VanDerWaalsContact C-N 3.33Å; Y469-L471 PolarHBondContact O-N 3.06Å; L471-L474 WeakPolarHBondContact O-CB 3.41Å; L471-L474 PolarHBondContact O-N 3.46Å; L471-I475 WeakPolarHBondContact O-CG1 3.45Å; L471-I475 PolarHBondContact O-N 2.97Å; L471-M518 HydrophobicContact CD2-CE 4.22Å; L471-F521 HydrophobicContact CD2-CD1 4.39Å; L471-F521 HydrophobicContact CD2-CE1 3.78Å; L471-F521 HydrophobicContact CG-CE1 4.05Å |
| 472 | A | 91.1 | Very high | 84.9 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -68.4 | -40 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V468 Y469 L474 I475 Q476 A507 L508 F521 | V468-A472 WeakPolarHBondContact O-CB 3.41Å; V468-A472 PolarHBondContact O-N 3.09Å; Y469-A472 PolarHBondContact O-N 3Å; Y469-A472 VanDerWaalsContact O-N 3.1Å; A472-L474 PolarHBondContact O-N 3.19Å; A472-I475 PolarHBondContact O-N 3.07Å; A472-Q476 PolarHBondContact O-N 3.1Å; A472-Q476 VanDerWaalsContact O-N 3.12Å; A472-A507 HydrophobicContact CB-CB 3.59Å; A472-L508 HydrophobicContact CB-CD2 3.78Å; A472-L508 HydrophobicContact CB-CG 3.84Å; A472-F521 HydrophobicContact CB-CZ 4.45Å |
| 473 | K | 88.3 | Confident | 83.8 | Confident | 55 Ų | 55 | 23.8 Ų | 23.8 | 24% | 0.239 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -55.4 | -41.8 | 166.9 | -71.2 | -74.8 | -170.2 | 142.7 | 0 | 111.4 | D425 W426 Y469 I475 Q476 F477 L508 | D425-K473 PolarHBondContact O-NZ 3.05Å; D425-K473 VanDerWaalsContact O-NZ 3.16Å; W426-K473 HydrophobicContact CE3-CB 3.91Å; W426-K473 HydrophobicContact CZ3-CB 4.29Å; Y469-K473 HydrophobicContact CD1-CG 4.1Å; Y469-K473 HydrophobicContact CE1-CD 4.28Å; Y469-K473 HydrophobicContact CE1-CG 3.83Å; Y469-K473 VanDerWaalsContact CZ-CE 3.42Å; Y469-K473 PolarHBondContact O-N 2.99Å; Y469-K473 WeakPolarHBondContact OH-CE 3.28Å; Y469-K473 PolarHBondContact OH-NZ 3.1Å; K473-I475 VanDerWaalsContact C-N 3.34Å; K473-I475 PolarHBondContact O-N 3.23Å; K473-Q476 WeakPolarHBondContact O-CB 3.37Å; K473-Q476 PolarHBondContact O-N 3.49Å; K473-F477 PolarHBondContact O-N 3.38Å; K473-L508 HydrophobicContact CD-CD2 4.17Å; K473-L508 HydrophobicContact CG-CD2 3.92Å |
| 474 | L | 89.8 | Confident | 82.2 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.7 | -31.8 | 179.9 | -158.8 | 130.8 | 0 | 0 | 0 | 113.2 | M292 I315 I332 T333 P334 I337 W426 S470 L471 A472 F477 M478 | M292-L474 HydrophobicContact CE-CD2 3.94Å; M292-L474 HydrophobicContact SD-CD2 3.81Å; M292-L474 HydrophobicContact SD-CG 4.26Å; I315-L474 HydrophobicContact CD1-CD2 4.2Å; I332-L474 HydrophobicContact CG2-CD1 4.07Å; T333-L474 VanDerWaalsContact C-CD1 3.48Å; P334-L474 HydrophobicContact CG-CD1 4.27Å; I337-L474 HydrophobicContact CD1-CD1 3.43Å; I337-L474 VanDerWaalsContact CD1-CD1 3.43Å; I337-L474 HydrophobicContact CD1-CD2 3.41Å; I337-L474 VanDerWaalsContact CD1-CD2 3.41Å; I337-L474 HydrophobicContact CD1-CG 4.03Å; W426-L474 HydrophobicContact CZ3-CB 4.4Å; S470-L474 WeakPolarHBondContact O-CB 3.44Å; S470-L474 PolarHBondContact O-N 3.19Å; S470-L474 VanDerWaalsContact O-N 3.1Å; L471-L474 WeakPolarHBondContact O-CB 3.41Å; L471-L474 PolarHBondContact O-N 3.46Å; A472-L474 PolarHBondContact O-N 3.19Å; L474-F477 PolarHBondContact O-N 3.03Å; L474-M478 HydrophobicContact CD2-CE 4.04Å; L474-M478 HydrophobicContact CD2-CG 4.46Å; L474-M478 HydrophobicContact CD2-SD 4.32Å; L474-M478 WeakPolarHBondContact O-CG 3.44Å; L474-M478 PolarHBondContact O-N 3.19Å |
| 475 | I | 89.7 | Confident | 80.4 | Confident | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -67.4 | -42 | 170.1 | -62.5 | 167.6 | 0 | 0 | 0 | 111.1 | S312 L471 A472 K473 F477 M478 L479 I504 F521 L525 | S312-I475 WeakPolarHBondContact OG-CG1 3.34Å; L471-I475 WeakPolarHBondContact O-CG1 3.45Å; L471-I475 PolarHBondContact O-N 2.97Å; A472-I475 PolarHBondContact O-N 3.07Å; K473-I475 VanDerWaalsContact C-N 3.34Å; K473-I475 PolarHBondContact O-N 3.23Å; I475-F477 PolarHBondContact O-N 3.02Å; I475-M478 HydrophobicContact CG1-CE 4.13Å; I475-M478 PolarHBondContact O-N 3.18Å; I475-L479 HydrophobicContact CG2-CD1 4.22Å; I475-L479 PolarHBondContact O-N 2.87Å; I475-I504 HydrophobicContact CB-CD1 4.16Å; I475-I504 HydrophobicContact CG2-CD1 3.54Å; I475-I504 HydrophobicContact CG2-CG1 4.35Å; I475-F521 HydrophobicContact CD1-CZ 3.99Å; I475-L525 HydrophobicContact CD1-CD2 3.98Å |
| 476 | Q | 85.8 | Confident | 78.3 | Confident | 23 Ų | 23 | 33.6 Ų | 33.6 | 11% | 0.107 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.2 | -27 | 173.3 | -67.5 | -178.1 | -33 | 0 | 0 | 113.1 | A472 K473 L479 M482 K483 I504 L508 | A472-Q476 PolarHBondContact O-N 3.1Å; A472-Q476 VanDerWaalsContact O-N 3.12Å; K473-Q476 WeakPolarHBondContact O-CB 3.37Å; K473-Q476 PolarHBondContact O-N 3.49Å; Q476-L479 CarbonylContact O-C 3.56Å; Q476-M482 HydrophobicContact CG-CB 4.28Å; Q476-K483 WeakPolarHBondContact O-CE 3.47Å; Q476-I504 HydrophobicContact CG-CG2 3.96Å; Q476-L508 HydrophobicContact CG-CD1 4.48Å; Q476-L508 VanDerWaalsContact NE2-CD1 3.3Å |
| 477 | F | 85.3 | Confident | 76 | Confident | 43 Ų | 43 | 41.7 Ų | 41.7 | 19% | 0.189 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -74.9 | -45.4 | 172.6 | -175.8 | -102 | 0 | 0 | 0 | 112.5 | Y293 I296 P334 W426 K473 L474 I475 L479 | Y293-F477 HydrophobicContact CD2-CZ 4.44Å; I296-F477 HydrophobicContact CD1-CD1 4.05Å; I296-F477 HydrophobicContact CD1-CE1 3.8Å; I296-F477 HydrophobicContact CG2-CE1 4.45Å; P334-F477 HydrophobicContact CB-CD1 4.26Å; P334-F477 HydrophobicContact CB-CE1 3.82Å; P334-F477 HydrophobicContact CB-CZ 4.42Å; P334-F477 HydrophobicContact CG-CD1 3.59Å; P334-F477 HydrophobicContact CG-CE1 3.55Å; P334-F477 HydrophobicContact CG-CG 4.16Å; P334-F477 HydrophobicContact CG-CZ 4.11Å; W426-F477 HydrophobicContact CH2-CB 3.7Å; W426-F477 HydrophobicContact CH2-CD1 4.27Å; W426-F477 AromaticContact CH2-CD2 3.67Å; W426-F477 HydrophobicContact CH2-CD2 3.67Å; W426-F477 HydrophobicContact CH2-CE2 4.34Å; W426-F477 AromaticContact CH2-CG 3.64Å; W426-F477 HydrophobicContact CH2-CG 3.64Å; W426-F477 HydrophobicContact CZ2-CD2 4.38Å; W426-F477 HydrophobicContact CZ3-CB 3.91Å; W426-F477 HydrophobicContact CZ3-CG 4.33Å; K473-F477 PolarHBondContact O-N 3.38Å; L474-F477 PolarHBondContact O-N 3.03Å; I475-F477 PolarHBondContact O-N 3.02Å; F477-L479 VanDerWaalsContact C-N 3.28Å; F477-L479 PolarHBondContact O-N 3.41Å |
| 478 | M | 85.8 | Confident | 73.5 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65 | -29.5 | 176.9 | -72.3 | -169.2 | -65.7 | 0 | 0 | 113.4 | M292 I296 L303 A308 I311 S312 L474 I475 P480 | M292-M478 HydrophobicContact CE-CG 3.96Å; M292-M478 HydrophobicContact CE-SD 3.48Å; M292-M478 WeakPolarHBondContact CE-SD 3.46Å; M292-M478 HydrophobicContact SD-CG 3.89Å; M292-M478 HydrophobicContact SD-SD 4.22Å; I296-M478 HydrophobicContact CD1-CG 4.43Å; L303-M478 HydrophobicContact CD1-CB 4.07Å; L303-M478 HydrophobicContact CD1-CG 3.9Å; L303-M478 HydrophobicContact CD1-SD 4.02Å; A308-M478 HydrophobicContact CB-CB 4.08Å; A308-M478 HydrophobicContact CB-CE 4.08Å; A308-M478 HydrophobicContact CB-SD 4.27Å; A308-M478 WeakPolarHBondContact O-CE 3.42Å; I311-M478 HydrophobicContact CB-CE 4.47Å; I311-M478 HydrophobicContact CB-SD 4Å; I311-M478 HydrophobicContact CD1-SD 4.05Å; I311-M478 HydrophobicContact CG2-CE 4.19Å; I311-M478 HydrophobicContact CG2-SD 3.61Å; S312-M478 WeakPolarHBondContact OG-CE 3.47Å; L474-M478 HydrophobicContact CD2-CE 4.04Å; L474-M478 HydrophobicContact CD2-CG 4.46Å; L474-M478 HydrophobicContact CD2-SD 4.32Å; L474-M478 WeakPolarHBondContact O-CG 3.44Å; L474-M478 PolarHBondContact O-N 3.19Å; I475-M478 HydrophobicContact CG1-CE 4.13Å; I475-M478 PolarHBondContact O-N 3.18Å; M478-P480 WeakPolarHBondContact O-CD 3.42Å |
| 479 | L | 82.9 | Confident | 70.9 | Confident | 6 Ų | 6 | 53.3 Ų | 53.3 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | trans | -119.4 | 81.7 | -179.9 | -60.9 | 176.1 | 0 | 0 | 0 | 110.6 | L303 T305 A308 I475 Q476 F477 S481 M482 L500 | L303-L479 WeakPolarHBondContact O-CD2 3.46Å; T305-L479 HydrophobicContact CG2-CD1 4.48Å; T305-L479 HydrophobicContact CG2-CD2 4.4Å; A308-L479 HydrophobicContact CB-CD1 4Å; A308-L479 HydrophobicContact CB-CD2 3.78Å; A308-L479 HydrophobicContact CB-CG 3.79Å; I475-L479 HydrophobicContact CG2-CD1 4.22Å; I475-L479 PolarHBondContact O-N 2.87Å; Q476-L479 CarbonylContact O-C 3.56Å; F477-L479 VanDerWaalsContact C-N 3.28Å; F477-L479 PolarHBondContact O-N 3.41Å; L479-S481 PolarHBondContact O-N 3.28Å; L479-M482 HydrophobicContact CB-CG 3.8Å; L479-M482 VanDerWaalsContact O-CB 3.28Å; L479-M482 WeakPolarHBondContact O-CB 3.29Å; L479-M482 WeakPolarHBondContact O-CG 3.36Å; L479-M482 PolarHBondContact O-N 2.97Å; L479-L500 HydrophobicContact CD1-CD2 4.06Å | ||
| 480 | P | 68.2 | Low | 68.1 | Low | 57 Ų | 57 | 58.9 Ų | 58.9 | 37% | 0.37 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -58.1 | -20.5 | -177.8 | -28.5 | 37 | 0 | 0 | 0 | 115.6 | T302 M478 M482 K483 | T302-P480 HydrophobicContact CG2-CG 4.03Å; M478-P480 WeakPolarHBondContact O-CD 3.42Å; P480-M482 PolarHBondContact O-N 3.32Å; P480-K483 HydrophobicContact CB-CD 4.46Å; P480-K483 WeakPolarHBondContact O-CB 3.5Å; P480-K483 PolarHBondContact O-N 3.31Å |
| 481 | S | 64.8 | Low | 65.3 | Low | 70 Ų | 70 | 64 Ų | 64 | 49% | 0.49 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -58 | -22.2 | 169.2 | 46.8 | 0 | 0 | 0 | 0 | 113.4 | L479 K483 | L479-S481 PolarHBondContact O-N 3.28Å; S481-K483 VanDerWaalsContact C-N 3.34Å |
| 482 | M | 61.4 | Low | 62.3 | Low | 1 Ų | 1 | 73.8 Ų | 73.8 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -81.3 | -6.8 | 175.4 | -54.8 | -59 | -81 | 0 | 0 | 113.5 | Q476 L479 P480 Q484 I485 I496 L500 I504 | Q476-M482 HydrophobicContact CG-CB 4.28Å; L479-M482 HydrophobicContact CB-CG 3.8Å; L479-M482 VanDerWaalsContact O-CB 3.28Å; L479-M482 WeakPolarHBondContact O-CB 3.29Å; L479-M482 WeakPolarHBondContact O-CG 3.36Å; L479-M482 PolarHBondContact O-N 2.97Å; P480-M482 PolarHBondContact O-N 3.32Å; M482-Q484 VanDerWaalsContact C-N 3.32Å; M482-Q484 PolarHBondContact O-N 2.99Å; M482-I485 HydrophobicContact CB-CD1 3.97Å; M482-I485 HydrophobicContact CE-CD1 3.62Å; M482-I485 WeakPolarHBondContact O-CB 3.46Å; M482-I485 VanDerWaalsContact O-CD1 3.28Å; M482-I485 WeakPolarHBondContact O-CD1 3.34Å; M482-I485 WeakPolarHBondContact O-CG1 3.45Å; M482-I485 PolarHBondContact O-N 3.32Å; M482-I485 HydrophobicContact SD-CD1 4.05Å; M482-I496 HydrophobicContact CE-CG2 3.92Å; M482-I496 HydrophobicContact SD-CB 4.28Å; M482-I496 HydrophobicContact SD-CD1 3.53Å; M482-I496 VanDerWaalsContact SD-CD1 3.53Å; M482-I496 HydrophobicContact SD-CG1 3.71Å; M482-I496 HydrophobicContact SD-CG2 3.72Å; M482-L500 HydrophobicContact CE-CG 4.45Å; M482-I504 HydrophobicContact CE-CD1 3.72Å |
| 483 | K | 55.9 | Low | 59.5 | Low | 115 Ų | 115 | 77.3 Ų | 77.3 | 50% | 0.5 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -77 | -12 | -173.3 | -69.2 | -174.3 | 175.9 | -171.1 | 0 | 114.9 | Q476 P480 S481 I485 | Q476-K483 WeakPolarHBondContact O-CE 3.47Å; P480-K483 HydrophobicContact CB-CD 4.46Å; P480-K483 WeakPolarHBondContact O-CB 3.5Å; P480-K483 PolarHBondContact O-N 3.31Å; S481-K483 VanDerWaalsContact C-N 3.34Å; K483-I485 PolarHBondContact O-N 3.43Å |
| 484 | Q | 50.3 | Low | 57 | Low | 153 Ų | 153 | 84.2 Ų | 84.2 | 72% | 0.715 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -74.3 | -15.9 | 175.7 | -67.8 | 177.5 | -22.1 | 0 | 0 | 113 | M482 T486 | M482-Q484 VanDerWaalsContact C-N 3.32Å; M482-Q484 PolarHBondContact O-N 2.99Å; Q484-T486 VanDerWaalsContact C-N 3.35Å; Q484-T486 PolarHBondContact O-N 2.9Å |
| 485 | I | 49.2 | Very low | 54.7 | Low | 39 Ų | 39 | 91.4 Ų | 91.4 | 20% | 0.2 | 46% | 0.459 | C | S | . | . | G | 310 helix | trans | -68.4 | -26.6 | -166.9 | -62.6 | 173.4 | 0 | 0 | 0 | 113.6 | M482 K483 K487 F501 | M482-I485 HydrophobicContact CB-CD1 3.97Å; M482-I485 HydrophobicContact CE-CD1 3.62Å; M482-I485 WeakPolarHBondContact O-CB 3.46Å; M482-I485 VanDerWaalsContact O-CD1 3.28Å; M482-I485 WeakPolarHBondContact O-CD1 3.34Å; M482-I485 WeakPolarHBondContact O-CG1 3.45Å; M482-I485 PolarHBondContact O-N 3.32Å; M482-I485 HydrophobicContact SD-CD1 4.05Å; K483-I485 PolarHBondContact O-N 3.43Å; I485-K487 VanDerWaalsContact C-N 3.28Å; I485-K487 PolarHBondContact O-N 3.12Å; I485-F501 HydrophobicContact CB-CE2 4.23Å; I485-F501 HydrophobicContact CD1-CD2 3.54Å; I485-F501 HydrophobicContact CD1-CE2 3.74Å; I485-F501 HydrophobicContact CG1-CD2 4.06Å; I485-F501 HydrophobicContact CG1-CE2 3.74Å; I485-F501 HydrophobicContact CG2-CD2 4.3Å; I485-F501 HydrophobicContact CG2-CE2 3.52Å; I485-F501 HydrophobicContact CG2-CZ 3.82Å |
| 486 | T | 46.4 | Very low | 52.7 | Low | 116 Ų | 116 | 92.5 Ų | 92.5 | 71% | 0.712 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -79.3 | -2.4 | -174 | 52.8 | 0 | 0 | 0 | 0 | 115.1 | Q484 | Q484-T486 VanDerWaalsContact C-N 3.35Å; Q484-T486 PolarHBondContact O-N 2.9Å |
| 487 | K | 41.2 | Very low | 51.3 | Low | 169 Ų | 169 | 91.8 Ų | 91.8 | 74% | 0.735 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.7 | -19.7 | 178.5 | -97.3 | -170.5 | 171.6 | -174.1 | 0 | 115.6 | I485 | I485-K487 VanDerWaalsContact C-N 3.28Å; I485-K487 PolarHBondContact O-N 3.12Å |
| 488 | Y | 39 | Very low | 50.2 | Low | 153 Ų | 153 | 95.1 Ų | 95.1 | 60% | 0.6 | 48% | 0.481 | S | S | * | . | trans | -143.7 | 108.3 | -177.7 | -56.4 | -75.3 | 0 | 0 | 0 | 109.7 | D490 | Y488-D490 VanDerWaalsContact C-N 3.33Š| ||
| 489 | S | 37.4 | Very low | 49.5 | Very low | 92 Ų | 92 | 97.2 Ų | 97.2 | 64% | 0.643 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -72.1 | -26.9 | 176.6 | 45.6 | 0 | 0 | 0 | 0 | 113.2 | ||
| 490 | D | 32.9 | Very low | 49.5 | Very low | 139 Ų | 139 | 97 Ų | 97 | 74% | 0.743 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -108.7 | -2.3 | -158.3 | -50.5 | -22.3 | 0 | 0 | 0 | 113.8 | Y488 | Y488-D490 VanDerWaalsContact C-N 3.33Š|
| 491 | I | 33.9 | Very low | 49.8 | Very low | 110 Ų | 110 | 97.6 Ų | 97.6 | 56% | 0.564 | 49% | 0.488 | S | S | * | . | trans | -126.6 | 96.3 | -160.1 | -63 | -176.5 | 0 | 0 | 0 | 112.2 | ||||
| 492 | Y | 29.4 | Very low | 50.4 | Low | 205 Ų | 205 | 98 Ų | 98 | 80% | 0.804 | 49% | 0.488 | S | S | * | . | trans | 52 | 126.5 | 153.6 | -60.9 | -105.3 | 0 | 0 | 0 | 121.4 | ||||
| 493 | S | 32.8 | Very low | 51.5 | Low | 74 Ų | 74 | 98.2 Ų | 98.2 | 52% | 0.517 | 49% | 0.489 | S | S | . | . | 177.6 | 147.1 | 101.7 | 55.1 | 0 | 0 | 0 | 0 | 113.3 | N495 | S493-N495 PolarHBondContact O-N 3.2Š| |||
| 494 | F | 34 | Very low | 53 | Low | 199 Ų | 199 | 92.9 Ų | 92.9 | 87% | 0.873 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -4 | -166.6 | -90.7 | -96.8 | 0 | 0 | 0 | 116.8 | ||
| 495 | N | 42.4 | Very low | 54.6 | Low | 152 Ų | 152 | 92.9 Ų | 92.9 | 81% | 0.813 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -0.6 | -163.4 | -72.4 | -16.4 | 0 | 0 | 0 | 115.6 | S493 | S493-N495 PolarHBondContact O-N 3.2Š|
| 496 | I | 47.2 | Very low | 56.3 | Low | 25 Ų | 25 | 92.3 Ų | 92.3 | 13% | 0.128 | 46% | 0.46 | C | S | . | . | S | Bend | trans | -117.1 | 140.3 | 174.5 | -66.5 | 130.2 | 0 | 0 | 0 | 107.7 | M482 N498 L500 | M482-I496 HydrophobicContact CE-CG2 3.92Å; M482-I496 HydrophobicContact SD-CB 4.28Å; M482-I496 HydrophobicContact SD-CD1 3.53Å; M482-I496 VanDerWaalsContact SD-CD1 3.53Å; M482-I496 HydrophobicContact SD-CG1 3.71Å; M482-I496 HydrophobicContact SD-CG2 3.72Å; I496-N498 PolarHBondContact O-N 3.47Å; I496-N498 VanDerWaalsContact O-N 3.13Å; I496-L500 HydrophobicContact CG2-CB 4.38Å; I496-L500 HydrophobicContact CG2-CD2 4.43Å |
| 497 | P | 56.7 | Low | 58.3 | Low | 8 Ų | 8 | 86.8 Ų | 86.8 | 5% | 0.052 | 43% | 0.426 | C | S | . | . | trans | -57.2 | 119.3 | 167.8 | 22.4 | -31.9 | 0 | 0 | 0 | 110.4 | N499 L500 F501 E532 | P497-N499 PolarHBondContact O-N 2.97Å; P497-L500 HydrophobicContact CG-CB 3.93Å; P497-L500 WeakPolarHBondContact O-CB 3.29Å; P497-L500 PolarHBondContact O-N 3.27Å; P497-F501 PolarHBondContact O-N 3.44Å; P497-E532 HydrophobicContact CG-CG 4.36Å | ||
| 498 | N | 61.4 | Low | 60.5 | Low | 113 Ų | 113 | 80.3 Ų | 80.3 | 60% | 0.604 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -47.9 | -33.7 | 177.5 | -58.8 | 16 | 0 | 0 | 0 | 112.3 | I496 L500 F501 T502 | I496-N498 PolarHBondContact O-N 3.47Å; I496-N498 VanDerWaalsContact O-N 3.13Å; N498-L500 VanDerWaalsContact C-N 3.28Å; N498-L500 PolarHBondContact O-N 2.88Å; N498-F501 WeakPolarHBondContact O-CB 3.27Å; N498-F501 PolarHBondContact O-N 3.15Å; N498-F501 VanDerWaalsContact O-N 3.16Å; N498-T502 PolarHBondContact O-N 3.38Å; N498-T502 PolarHBondContact O-OG1 2.92Å |
| 499 | N | 72.8 | Confident | 62.7 | Low | 46 Ų | 46 | 75 Ų | 75 | 25% | 0.246 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -65.5 | -23.1 | 178.6 | -57.5 | 4.1 | 0 | 0 | 0 | 114.1 | P497 T502 L503 L528 L553 | P497-N499 PolarHBondContact O-N 2.97Å; N499-T502 WeakPolarHBondContact CA-OG1 3.47Å; N499-T502 PolarHBondContact O-OG1 3.46Å; N499-L503 VanDerWaalsContact O-CB 3.32Å; N499-L503 WeakPolarHBondContact O-CB 3.35Å; N499-L503 PolarHBondContact O-N 3.14Å; N499-L528 HydrophobicContact CB-CD2 3.49Å; N499-L528 VanDerWaalsContact CB-CD2 3.49Å; N499-L553 PolarHBondContact ND2-O 2.65Å |
| 500 | L | 81.3 | Confident | 64.7 | Low | 1 Ų | 1 | 75.8 Ų | 75.8 | 1% | 0.005 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -82.3 | -36.8 | 171.4 | 178.5 | 59.6 | 0 | 0 | 0 | 111.1 | L309 L479 M482 I496 P497 N498 L503 I504 L528 | L309-L500 HydrophobicContact CD2-CD1 4.27Å; L479-L500 HydrophobicContact CD1-CD2 4.06Å; M482-L500 HydrophobicContact CE-CG 4.45Å; I496-L500 HydrophobicContact CG2-CB 4.38Å; I496-L500 HydrophobicContact CG2-CD2 4.43Å; P497-L500 HydrophobicContact CG-CB 3.93Å; P497-L500 WeakPolarHBondContact O-CB 3.29Å; P497-L500 PolarHBondContact O-N 3.27Å; N498-L500 VanDerWaalsContact C-N 3.28Å; N498-L500 PolarHBondContact O-N 2.88Å; L500-L503 PolarHBondContact O-N 2.98Å; L500-I504 HydrophobicContact CD1-CD1 3.95Å; L500-I504 HydrophobicContact CD1-CG1 4.17Å; L500-I504 HydrophobicContact CG-CD1 4.06Å; L500-I504 WeakPolarHBondContact O-CG1 3.32Å; L500-I504 PolarHBondContact O-N 3.39Å; L500-L528 HydrophobicContact CB-CD1 3.94Å; L500-L528 HydrophobicContact CB-CD2 4.41Å; L500-L528 HydrophobicContact CD1-CD1 3.8Å; L500-L528 HydrophobicContact CG-CD1 4.47Å |
| 501 | F | 75.7 | Confident | 67 | Low | 70 Ų | 70 | 73.5 Ų | 73.5 | 31% | 0.307 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -58.5 | -51.3 | 171.8 | 178.4 | -72.8 | 0 | 0 | 0 | 110.3 | I485 P497 N498 L503 I504 Y505 | I485-F501 HydrophobicContact CB-CE2 4.23Å; I485-F501 HydrophobicContact CD1-CD2 3.54Å; I485-F501 HydrophobicContact CD1-CE2 3.74Å; I485-F501 HydrophobicContact CG1-CD2 4.06Å; I485-F501 HydrophobicContact CG1-CE2 3.74Å; I485-F501 HydrophobicContact CG2-CD2 4.3Å; I485-F501 HydrophobicContact CG2-CE2 3.52Å; I485-F501 HydrophobicContact CG2-CZ 3.82Å; P497-F501 PolarHBondContact O-N 3.44Å; N498-F501 WeakPolarHBondContact O-CB 3.27Å; N498-F501 PolarHBondContact O-N 3.15Å; N498-F501 VanDerWaalsContact O-N 3.16Å; F501-L503 VanDerWaalsContact C-N 3.33Å; F501-L503 PolarHBondContact O-N 2.99Å; F501-I504 PolarHBondContact O-N 2.92Å; F501-Y505 WeakPolarHBondContact O-CB 3.48Å; F501-Y505 PolarHBondContact O-N 3.44Å |
| 502 | T | 76.3 | Confident | 69.3 | Low | 79 Ų | 79 | 69.7 Ų | 69.7 | 49% | 0.485 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.2 | -34.3 | -179.1 | 54.8 | 0 | 0 | 0 | 0 | 112.6 | N498 N499 S506 | N498-T502 PolarHBondContact O-N 3.38Å; N498-T502 PolarHBondContact O-OG1 2.92Å; N499-T502 WeakPolarHBondContact CA-OG1 3.47Å; N499-T502 PolarHBondContact O-OG1 3.46Å; T502-S506 WeakPolarHBondContact O-CB 3.21Å; T502-S506 PolarHBondContact O-N 3.35Å; T502-S506 PolarHBondContact O-OG 3.33Å |
| 503 | L | 85.7 | Confident | 71.7 | Confident | 4 Ų | 4 | 65 Ų | 65 | 2% | 0.021 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.2 | -41.8 | 173.1 | -179.6 | 61.1 | 0 | 0 | 0 | 112.6 | N499 L500 F501 S506 A507 L516 F521 L524 L525 L528 | N499-L503 VanDerWaalsContact O-CB 3.32Å; N499-L503 WeakPolarHBondContact O-CB 3.35Å; N499-L503 PolarHBondContact O-N 3.14Å; L500-L503 PolarHBondContact O-N 2.98Å; F501-L503 VanDerWaalsContact C-N 3.33Å; F501-L503 PolarHBondContact O-N 2.99Å; L503-S506 PolarHBondContact O-OG 3.31Å; L503-A507 WeakPolarHBondContact O-CB 3.1Å; L503-A507 PolarHBondContact O-N 2.7Å; L503-L516 HydrophobicContact CD1-CD1 3.52Å; L503-F521 HydrophobicContact CD1-CD2 3.45Å; L503-F521 VanDerWaalsContact CD1-CD2 3.45Å; L503-F521 HydrophobicContact CD1-CE2 3.79Å; L503-F521 HydrophobicContact CD1-CG 4.33Å; L503-F521 HydrophobicContact CD2-CE2 4.31Å; L503-F521 HydrophobicContact CG-CD2 3.95Å; L503-F521 HydrophobicContact CG-CE2 3.73Å; L503-L524 HydrophobicContact CD1-CB 3.65Å; L503-L524 HydrophobicContact CD1-CD1 3.79Å; L503-L524 HydrophobicContact CD1-CG 4.37Å; L503-L524 HydrophobicContact CD2-CB 4.01Å; L503-L524 HydrophobicContact CG-CB 4.44Å; L503-L525 HydrophobicContact CD2-CD2 3.72Å; L503-L525 HydrophobicContact CD2-CG 3.97Å; L503-L528 HydrophobicContact CB-CD1 4.27Å; L503-L528 HydrophobicContact CD2-CD1 3.39Å; L503-L528 HydrophobicContact CG-CD1 4.46Å |
| 504 | I | 87 | Confident | 74.1 | Confident | 3 Ų | 3 | 66 Ų | 66 | 2% | 0.015 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -71.6 | -42.7 | 177.3 | -69.1 | 172.3 | 0 | 0 | 0 | 110.6 | I475 Q476 M482 L500 F501 S506 A507 L508 | I475-I504 HydrophobicContact CB-CD1 4.16Å; I475-I504 HydrophobicContact CG2-CD1 3.54Å; I475-I504 HydrophobicContact CG2-CG1 4.35Å; Q476-I504 HydrophobicContact CG-CG2 3.96Å; M482-I504 HydrophobicContact CE-CD1 3.72Å; L500-I504 HydrophobicContact CD1-CD1 3.95Å; L500-I504 HydrophobicContact CD1-CG1 4.17Å; L500-I504 HydrophobicContact CG-CD1 4.06Å; L500-I504 WeakPolarHBondContact O-CG1 3.32Å; L500-I504 PolarHBondContact O-N 3.39Å; F501-I504 PolarHBondContact O-N 2.92Å; I504-S506 PolarHBondContact O-N 3.23Å; I504-A507 PolarHBondContact O-N 3.23Å; I504-A507 VanDerWaalsContact O-N 3.15Å; I504-L508 HydrophobicContact CG2-CD1 3.57Å; I504-L508 HydrophobicContact CG2-CG 4.23Å; I504-L508 WeakPolarHBondContact O-CB 3.35Å; I504-L508 WeakPolarHBondContact O-CG 3.39Å; I504-L508 PolarHBondContact O-N 3.41Å |
| 505 | Y | 83.1 | Confident | 76.7 | Confident | 154 Ų | 154 | 57 Ų | 57 | 60% | 0.604 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -58.7 | -48.2 | 177.4 | -177.6 | -97.7 | 0 | 0 | 0 | 112.1 | F501 A507 L508 K509 | F501-Y505 WeakPolarHBondContact O-CB 3.48Å; F501-Y505 PolarHBondContact O-N 3.44Å; Y505-A507 PolarHBondContact O-N 3.27Å; Y505-L508 PolarHBondContact O-N 2.85Å; Y505-L508 VanDerWaalsContact O-N 3.16Å; Y505-K509 PolarHBondContact O-N 3.2Å |
| 506 | S | 84.7 | Confident | 78.7 | Confident | 27 Ų | 27 | 51.4 Ų | 51.4 | 19% | 0.189 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -69.6 | -16.9 | 177.1 | 53.4 | 0 | 0 | 0 | 0 | 114.4 | T502 L503 I504 R515 L516 | T502-S506 WeakPolarHBondContact O-CB 3.21Å; T502-S506 PolarHBondContact O-N 3.35Å; T502-S506 PolarHBondContact O-OG 3.33Å; L503-S506 PolarHBondContact O-OG 3.31Å; I504-S506 PolarHBondContact O-N 3.23Å; S506-R515 WeakPolarHBondContact O-CA 3.39Å; S506-L516 PolarHBondContact O-N 3.2Å; S506-L516 VanDerWaalsContact OG-CD1 3.22Å; S506-L516 WeakPolarHBondContact OG-CD1 3.37Å |
| 507 | A | 88.6 | Confident | 80.7 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -88.7 | -20.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | V468 Y469 A472 L503 I504 Y505 F521 | V468-A507 HydrophobicContact CG1-CB 3.71Å; Y469-A507 WeakPolarHBondContact CA-O 3.47Å; A472-A507 HydrophobicContact CB-CB 3.59Å; L503-A507 WeakPolarHBondContact O-CB 3.1Å; L503-A507 PolarHBondContact O-N 2.7Å; I504-A507 PolarHBondContact O-N 3.23Å; I504-A507 VanDerWaalsContact O-N 3.15Å; Y505-A507 PolarHBondContact O-N 3.27Å; A507-F521 HydrophobicContact CB-CD2 3.87Å; A507-F521 HydrophobicContact CB-CE2 3.49Å; A507-F521 VanDerWaalsContact CB-CE2 3.49Å; A507-F521 HydrophobicContact CB-CZ 4.36Å |
| 508 | L | 87.6 | Confident | 82.3 | Confident | 32 Ų | 32 | 51.9 Ų | 51.9 | 17% | 0.168 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -102.1 | 8 | -177.7 | -68.8 | 178.6 | 0 | 0 | 0 | 114.4 | Y469 A472 K473 Q476 I504 Y505 | Y469-L508 HydrophobicContact CD1-CD2 4.32Å; Y469-L508 HydrophobicContact CD2-CD2 3.73Å; Y469-L508 HydrophobicContact CE1-CD2 4.35Å; Y469-L508 HydrophobicContact CE2-CB 4.36Å; Y469-L508 HydrophobicContact CE2-CD2 3.75Å; Y469-L508 HydrophobicContact CG-CD2 4.01Å; A472-L508 HydrophobicContact CB-CD2 3.78Å; A472-L508 HydrophobicContact CB-CG 3.84Å; K473-L508 HydrophobicContact CD-CD2 4.17Å; K473-L508 HydrophobicContact CG-CD2 3.92Å; Q476-L508 HydrophobicContact CG-CD1 4.48Å; Q476-L508 VanDerWaalsContact NE2-CD1 3.3Å; I504-L508 HydrophobicContact CG2-CD1 3.57Å; I504-L508 HydrophobicContact CG2-CG 4.23Å; I504-L508 WeakPolarHBondContact O-CB 3.35Å; I504-L508 WeakPolarHBondContact O-CG 3.39Å; I504-L508 PolarHBondContact O-N 3.41Å; Y505-L508 PolarHBondContact O-N 2.85Å; Y505-L508 VanDerWaalsContact O-N 3.16Å |
| 509 | K | 85 | Confident | 83.5 | Confident | 42 Ų | 42 | 55.5 Ų | 55.5 | 18% | 0.183 | 27% | 0.27 | C | S | . | . | trans | -54.2 | 144.6 | 170.7 | -75 | -170.5 | 165.9 | -161.7 | 0 | 111.4 | Y505 E514 R515 | Y505-K509 PolarHBondContact O-N 3.2Å; K509-E514 HydrophobicContact CB-CB 4.4Å; K509-E514 HydrophobicContact CD-CB 3.47Å; K509-E514 VanDerWaalsContact CD-CB 3.47Å; K509-E514 HydrophobicContact CD-CG 4.44Å; K509-E514 WeakPolarHBondContact CD-OE2 3.38Å; K509-E514 WeakPolarHBondContact CE-OE2 3.38Å; K509-E514 IonicContact NZ-OE2 2.69Å; K509-E514 PolarHBondContact NZ-OE2 2.97Å; K509-R515 HydrophobicContact CB-CG 4.17Å; K509-R515 PolarHBondContact O-NE 3.17Å | ||
| 510 | M | 81.2 | Confident | 84.2 | Confident | 109 Ų | 109 | 55.9 Ų | 55.9 | 54% | 0.537 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -64.7 | -50.1 | -176.3 | -61.4 | -56.1 | -65.5 | 0 | 0 | 112.1 | T429 R515 | T429-M510 HydrophobicContact CG2-CE 3.58Å; M510-R515 PolarHBondContact O-NH2 3.44Å |
| 511 | N | 80.3 | Confident | 84.6 | Confident | 91 Ų | 91 | 55.8 Ų | 55.8 | 49% | 0.487 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -75 | 130.1 | -179.4 | -62.6 | -36 | 0 | 0 | 0 | 111.1 | D513 E514 | N511-D513 VanDerWaalsContact C-N 3.31Å; N511-D513 PolarHBondContact O-N 3Å; N511-E514 HydrophobicContact CB-CB 4.49Å; N511-E514 HydrophobicContact CB-CG 4.06Å; N511-E514 WeakPolarHBondContact CB-OE1 3.46Å; N511-E514 PolarHBondContact ND2-OE1 3.1Å; N511-E514 PolarHBondContact O-N 2.94Å |
| 512 | P | 83.1 | Confident | 85.3 | Confident | 29 Ų | 29 | 53.1 Ų | 53.1 | 19% | 0.188 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -68.4 | -27 | -175.2 | 27.3 | -35 | 0 | 0 | 0 | 113.7 | E430 T465 R515 | E430-P512 HydrophobicContact CG-CB 4.5Å; E430-P512 HydrophobicContact CG-CG 4.44Å; T465-P512 PolarHBondContact OG1-O 3.07Å; P512-R515 PolarHBondContact O-N 3.07Å |
| 513 | D | 80 | Confident | 85.7 | Confident | 107 Ų | 107 | 56.8 Ų | 56.8 | 57% | 0.572 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -76 | -23.6 | 179.5 | -57.3 | -63.7 | 0 | 0 | 0 | 112.9 | N511 | N511-D513 VanDerWaalsContact C-N 3.31Å; N511-D513 PolarHBondContact O-N 3Å |
| 514 | E | 82.2 | Confident | 85.7 | Confident | 95 Ų | 95 | 59.2 Ų | 59.2 | 44% | 0.444 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -82.9 | -12.7 | 174.5 | -63.7 | -177.1 | -119.7 | 0 | 0 | 113.4 | K509 N511 | K509-E514 HydrophobicContact CB-CB 4.4Å; K509-E514 HydrophobicContact CD-CB 3.47Å; K509-E514 VanDerWaalsContact CD-CB 3.47Å; K509-E514 HydrophobicContact CD-CG 4.44Å; K509-E514 WeakPolarHBondContact CD-OE2 3.38Å; K509-E514 WeakPolarHBondContact CE-OE2 3.38Å; K509-E514 IonicContact NZ-OE2 2.69Å; K509-E514 PolarHBondContact NZ-OE2 2.97Å; N511-E514 HydrophobicContact CB-CB 4.49Å; N511-E514 HydrophobicContact CB-CG 4.06Å; N511-E514 WeakPolarHBondContact CB-OE1 3.46Å; N511-E514 PolarHBondContact ND2-OE1 3.1Å; N511-E514 PolarHBondContact O-N 2.94Å |
| 515 | R | 87.8 | Confident | 85.7 | Confident | 10 Ų | 10 | 59.1 Ų | 59.1 | 4% | 0.038 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -76.7 | 148.1 | -178.5 | -64.6 | 177.7 | -158.8 | 146.7 | 13 | 110.7 | E430 T465 S506 K509 M510 P512 S517 | E430-R515 IonicContact OE1-CZ 2.66Å; E430-R515 IonicContact OE1-NH1 3.37Å; E430-R515 PolarHBondContact OE1-NH1 2.85Å; E430-R515 IonicContact OE1-NH2 2.7Å; E430-R515 IonicContact OE2-CZ 3.67Å; E430-R515 IonicContact OE2-NH1 2.69Å; E430-R515 PolarHBondContact OE2-NH1 3.36Å; E430-R515 IonicContact OE2-NH2 3.86Å; E430-R515 PolarHBondContact OE2-NH2 3.35Å; T465-R515 HydrophobicContact CG2-CB 4.21Å; T465-R515 WeakPolarHBondContact O-CD 3.48Å; T465-R515 PolarHBondContact O-NH1 3.15Å; T465-R515 VanDerWaalsContact O-NH1 3.15Å; S506-R515 WeakPolarHBondContact O-CA 3.39Å; K509-R515 HydrophobicContact CB-CG 4.17Å; K509-R515 PolarHBondContact O-NE 3.17Å; M510-R515 PolarHBondContact O-NH2 3.44Å; P512-R515 PolarHBondContact O-N 3.07Å; R515-S517 PolarHBondContact O-N 3.16Å |
| 516 | L | 86 | Confident | 85.8 | Confident | 34 Ų | 34 | 54.6 Ų | 54.6 | 18% | 0.178 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -57.6 | 133.8 | 171.9 | -68.1 | 173.1 | 0 | 0 | 0 | 111.6 | L503 S506 Q520 F521 L524 | L503-L516 HydrophobicContact CD1-CD1 3.52Å; S506-L516 PolarHBondContact O-N 3.2Å; S506-L516 VanDerWaalsContact OG-CD1 3.22Å; S506-L516 WeakPolarHBondContact OG-CD1 3.37Å; L516-Q520 HydrophobicContact CB-CB 4.46Å; L516-Q520 HydrophobicContact CD2-CB 4.26Å; L516-F521 HydrophobicContact CB-CB 4.31Å; L516-F521 HydrophobicContact CD1-CD2 4.38Å; L516-L524 HydrophobicContact CD1-CD1 3.92Å |
| 517 | S | 88.3 | Confident | 85.5 | Confident | 40 Ų | 40 | 56.2 Ų | 56.2 | 28% | 0.28 | 27% | 0.266 | S | S | . | . | P | Polyproline II helix | trans | -61 | 150.6 | 171 | 69.2 | 0 | 0 | 0 | 0 | 111.1 | R515 R519 Q520 F521 | R515-S517 PolarHBondContact O-N 3.16Å; S517-R519 PolarHBondContact O-N 2.78Å; S517-Q520 PolarHBondContact O-N 3.31Å; S517-Q520 VanDerWaalsContact OG-CD 3.29Å; S517-Q520 WeakPolarHBondContact OG-CG 3.46Å; S517-Q520 PolarHBondContact OG-N 3.07Å; S517-Q520 PolarHBondContact OG-OE1 3.06Å; S517-F521 WeakPolarHBondContact O-CB 3.4Å; S517-F521 PolarHBondContact O-N 2.99Å |
| 518 | M | 90.3 | Very high | 85.3 | Confident | 4 Ų | 4 | 56.6 Ų | 56.6 | 2% | 0.02 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -52.3 | -31.1 | 178.1 | -169.4 | 70 | -112 | 0 | 0 | 112.9 | L319 L320 H323 V468 L471 F521 N522 | L319-M518 HydrophobicContact CB-CG 4.49Å; L319-M518 HydrophobicContact CB-SD 3.96Å; L319-M518 HydrophobicContact CD1-SD 4.11Å; L320-M518 HydrophobicContact CD2-CB 4.08Å; L320-M518 HydrophobicContact CD2-CG 3.68Å; L320-M518 HydrophobicContact CG-CG 3.85Å; H323-M518 WeakPolarHBondContact ND1-CG 3.3Å; V468-M518 HydrophobicContact CG2-CB 3.97Å; V468-M518 HydrophobicContact CG2-CG 4.44Å; V468-M518 HydrophobicContact CG2-SD 3.64Å; L471-M518 HydrophobicContact CD2-CE 4.22Å; M518-F521 HydrophobicContact CE-CD1 3.91Å; M518-N522 HydrophobicContact CE-CB 4.42Å; M518-N522 VanDerWaalsContact O-CB 3.31Å; M518-N522 WeakPolarHBondContact O-CB 3.37Å; M518-N522 PolarHBondContact O-N 3.44Å |
| 519 | R | 87.1 | Confident | 85.1 | Confident | 188 Ų | 188 | 57.2 Ų | 57.2 | 71% | 0.709 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -70.4 | -45.7 | 174.8 | -67.6 | 179.8 | 179.5 | 174.9 | 0.6 | 112.7 | L320 S517 R523 | L320-R519 HydrophobicContact CD2-CG 3.82Å; S517-R519 PolarHBondContact O-N 2.78Å; R519-R523 VanDerWaalsContact O-CG 3.32Å; R519-R523 WeakPolarHBondContact O-CG 3.35Å; R519-R523 PolarHBondContact O-N 3.42Å; R519-R523 VanDerWaalsContact O-N 3.15Å |
| 520 | Q | 86.7 | Confident | 84.8 | Confident | 54 Ų | 54 | 60.9 Ų | 60.9 | 25% | 0.252 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.2 | -46.1 | 176.5 | -72.3 | 156.7 | -42.1 | 0 | 0 | 110.8 | L516 S517 N522 R523 L524 | L516-Q520 HydrophobicContact CB-CB 4.46Å; L516-Q520 HydrophobicContact CD2-CB 4.26Å; S517-Q520 PolarHBondContact O-N 3.31Å; S517-Q520 VanDerWaalsContact OG-CD 3.29Å; S517-Q520 WeakPolarHBondContact OG-CG 3.46Å; S517-Q520 PolarHBondContact OG-N 3.07Å; S517-Q520 PolarHBondContact OG-OE1 3.06Å; Q520-N522 PolarHBondContact O-N 2.98Å; Q520-R523 PolarHBondContact O-N 2.68Å; Q520-L524 WeakPolarHBondContact O-CG 3.42Å; Q520-L524 PolarHBondContact O-N 3.43Å |
| 521 | F | 90.2 | Very high | 84.5 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.5 | -47.3 | 178 | -172.3 | -102 | 0 | 0 | 0 | 111.7 | V468 L471 A472 I475 L503 A507 L516 S517 M518 L524 L525 | V468-F521 HydrophobicContact CG1-CB 4.24Å; V468-F521 HydrophobicContact CG1-CD1 4.31Å; V468-F521 HydrophobicContact CG1-CD2 3.88Å; V468-F521 HydrophobicContact CG1-CE2 4.3Å; V468-F521 HydrophobicContact CG1-CG 3.9Å; V468-F521 HydrophobicContact CG2-CB 4.49Å; L471-F521 HydrophobicContact CD2-CD1 4.39Å; L471-F521 HydrophobicContact CD2-CE1 3.78Å; L471-F521 HydrophobicContact CG-CE1 4.05Å; A472-F521 HydrophobicContact CB-CZ 4.45Å; I475-F521 HydrophobicContact CD1-CZ 3.99Å; L503-F521 HydrophobicContact CD1-CD2 3.45Å; L503-F521 VanDerWaalsContact CD1-CD2 3.45Å; L503-F521 HydrophobicContact CD1-CE2 3.79Å; L503-F521 HydrophobicContact CD1-CG 4.33Å; L503-F521 HydrophobicContact CD2-CE2 4.31Å; L503-F521 HydrophobicContact CG-CD2 3.95Å; L503-F521 HydrophobicContact CG-CE2 3.73Å; A507-F521 HydrophobicContact CB-CD2 3.87Å; A507-F521 HydrophobicContact CB-CE2 3.49Å; A507-F521 VanDerWaalsContact CB-CE2 3.49Å; A507-F521 HydrophobicContact CB-CZ 4.36Å; L516-F521 HydrophobicContact CB-CB 4.31Å; L516-F521 HydrophobicContact CD1-CD2 4.38Å; S517-F521 WeakPolarHBondContact O-CB 3.4Å; S517-F521 PolarHBondContact O-N 2.99Å; M518-F521 HydrophobicContact CE-CD1 3.91Å; F521-L524 PolarHBondContact O-N 3.21Å; F521-L525 HydrophobicContact CD1-CD1 3.82Å; F521-L525 HydrophobicContact CD1-CG 4.25Å; F521-L525 HydrophobicContact CE1-CD1 3.53Å; F521-L525 HydrophobicContact CE1-CD2 4.48Å; F521-L525 HydrophobicContact CE1-CG 4.03Å; F521-L525 HydrophobicContact CZ-CD1 4.3Å; F521-L525 HydrophobicContact CZ-CD2 4.48Å; F521-L525 HydrophobicContact CZ-CG 4.41Å; F521-L525 WeakPolarHBondContact O-CG 3.34Å; F521-L525 PolarHBondContact O-N 3.11Å |
| 522 | N | 90.6 | Very high | 84.2 | Confident | 14 Ų | 14 | 54 Ų | 54 | 8% | 0.075 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65 | -40.9 | 176.9 | -168.5 | 31.7 | 0 | 0 | 0 | 113.1 | S316 L320 M518 Q520 L524 L525 I526 | S316-N522 WeakPolarHBondContact CB-OD1 3.09Å; S316-N522 PolarHBondContact OG-OD1 2.84Å; L320-N522 HydrophobicContact CD1-CB 3.8Å; L320-N522 WeakPolarHBondContact CD1-ND2 3.2Å; M518-N522 HydrophobicContact CE-CB 4.42Å; M518-N522 VanDerWaalsContact O-CB 3.31Å; M518-N522 WeakPolarHBondContact O-CB 3.37Å; M518-N522 PolarHBondContact O-N 3.44Å; Q520-N522 PolarHBondContact O-N 2.98Å; N522-L524 VanDerWaalsContact C-N 3.3Å; N522-L524 PolarHBondContact O-N 3.49Å; N522-L525 PolarHBondContact O-N 2.95Å; N522-I526 VanDerWaalsContact O-CG1 3.29Å; N522-I526 WeakPolarHBondContact O-CG1 3.28Å; N522-I526 PolarHBondContact O-N 2.81Å |
| 523 | R | 83.9 | Confident | 83.9 | Confident | 156 Ų | 156 | 56.7 Ų | 56.7 | 59% | 0.589 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -56.6 | -46 | 174.7 | -77.1 | 172 | 174.6 | 178.8 | -1.7 | 110.9 | R519 Q520 I526 H527 | R519-R523 VanDerWaalsContact O-CG 3.32Å; R519-R523 WeakPolarHBondContact O-CG 3.35Å; R519-R523 PolarHBondContact O-N 3.42Å; R519-R523 VanDerWaalsContact O-N 3.15Å; Q520-R523 PolarHBondContact O-N 2.68Å; R523-I526 PolarHBondContact O-N 3.27Å; R523-H527 PolarHBondContact O-CD2 3.46Å; R523-H527 PolarHBondContact O-N 2.94Å |
| 524 | L | 86.4 | Confident | 83.3 | Confident | 55 Ų | 55 | 54.3 Ų | 54.3 | 29% | 0.288 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -69 | -40.7 | 179.6 | -67.8 | 171.1 | 0 | 0 | 0 | 112.6 | L503 L516 Q520 F521 N522 I526 H527 L528 | L503-L524 HydrophobicContact CD1-CB 3.65Å; L503-L524 HydrophobicContact CD1-CD1 3.79Å; L503-L524 HydrophobicContact CD1-CG 4.37Å; L503-L524 HydrophobicContact CD2-CB 4.01Å; L503-L524 HydrophobicContact CG-CB 4.44Å; L516-L524 HydrophobicContact CD1-CD1 3.92Å; Q520-L524 WeakPolarHBondContact O-CG 3.42Å; Q520-L524 PolarHBondContact O-N 3.43Å; F521-L524 PolarHBondContact O-N 3.21Å; N522-L524 VanDerWaalsContact C-N 3.3Å; N522-L524 PolarHBondContact O-N 3.49Å; L524-I526 VanDerWaalsContact C-N 3.33Å; L524-I526 PolarHBondContact O-N 2.86Å; L524-H527 PolarHBondContact O-N 3.31Å; L524-L528 WeakPolarHBondContact O-CG 3.38Å; L524-L528 PolarHBondContact O-N 3.38Å |
| 525 | L | 87.6 | Confident | 82.6 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -55.4 | -46.4 | 170.7 | -78.2 | 178.8 | 0 | 0 | 0 | 112 | L309 I475 L503 F521 N522 H527 L528 Y529 | L309-L525 HydrophobicContact CD2-CD2 3.97Å; I475-L525 HydrophobicContact CD1-CD2 3.98Å; L503-L525 HydrophobicContact CD2-CD2 3.72Å; L503-L525 HydrophobicContact CD2-CG 3.97Å; F521-L525 HydrophobicContact CD1-CD1 3.82Å; F521-L525 HydrophobicContact CD1-CG 4.25Å; F521-L525 HydrophobicContact CE1-CD1 3.53Å; F521-L525 HydrophobicContact CE1-CD2 4.48Å; F521-L525 HydrophobicContact CE1-CG 4.03Å; F521-L525 HydrophobicContact CZ-CD1 4.3Å; F521-L525 HydrophobicContact CZ-CD2 4.48Å; F521-L525 HydrophobicContact CZ-CG 4.41Å; F521-L525 WeakPolarHBondContact O-CG 3.34Å; F521-L525 PolarHBondContact O-N 3.11Å; N522-L525 PolarHBondContact O-N 2.95Å; L525-H527 PolarHBondContact O-N 3.45Å; L525-L528 PolarHBondContact O-N 2.96Å; L525-Y529 WeakPolarHBondContact O-CB 3.24Å; L525-Y529 PolarHBondContact O-N 2.94Å |
| 526 | I | 84 | Confident | 81.4 | Confident | 59 Ų | 59 | 59.1 Ų | 59.1 | 30% | 0.303 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 178.9 | -68.6 | 165.2 | 0 | 0 | 0 | 110.6 | N522 R523 L524 Y529 W530 | N522-I526 VanDerWaalsContact O-CG1 3.29Å; N522-I526 WeakPolarHBondContact O-CG1 3.28Å; N522-I526 PolarHBondContact O-N 2.81Å; R523-I526 PolarHBondContact O-N 3.27Å; L524-I526 VanDerWaalsContact C-N 3.33Å; L524-I526 PolarHBondContact O-N 2.86Å; I526-Y529 PolarHBondContact O-N 3.35Å; I526-W530 PolarHBondContact O-N 2.92Å; I526-W530 VanDerWaalsContact O-N 3.15Å |
| 527 | H | 78.7 | Confident | 80 | Confident | 61 Ų | 61 | 63 Ų | 63 | 28% | 0.282 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.5 | -43.7 | 174.9 | -75.3 | -61.5 | 0 | 0 | 0 | 112.5 | R523 L524 L525 W530 V531 L551 | R523-H527 PolarHBondContact O-CD2 3.46Å; R523-H527 PolarHBondContact O-N 2.94Å; L524-H527 PolarHBondContact O-N 3.31Å; L525-H527 PolarHBondContact O-N 3.45Å; H527-W530 PolarHBondContact O-N 3.5Å; H527-V531 WeakPolarHBondContact O-CG2 3.45Å; H527-V531 PolarHBondContact O-N 3.36Å; H527-L551 WeakPolarHBondContact ND1-CD1 3.27Å |
| 528 | L | 83.5 | Confident | 78 | Confident | 8 Ų | 8 | 63.1 Ų | 63.1 | 4% | 0.042 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.7 | -44.4 | 175.2 | -72 | 172.4 | 0 | 0 | 0 | 112.3 | L309 N499 L500 L503 L524 L525 W530 V531 E532 | L309-L528 HydrophobicContact CD1-CB 4.27Å; L309-L528 HydrophobicContact CD2-CB 4.03Å; N499-L528 HydrophobicContact CB-CD2 3.49Å; N499-L528 VanDerWaalsContact CB-CD2 3.49Å; L500-L528 HydrophobicContact CB-CD1 3.94Å; L500-L528 HydrophobicContact CB-CD2 4.41Å; L500-L528 HydrophobicContact CD1-CD1 3.8Å; L500-L528 HydrophobicContact CG-CD1 4.47Å; L503-L528 HydrophobicContact CB-CD1 4.27Å; L503-L528 HydrophobicContact CD2-CD1 3.39Å; L503-L528 HydrophobicContact CG-CD1 4.46Å; L524-L528 WeakPolarHBondContact O-CG 3.38Å; L524-L528 PolarHBondContact O-N 3.38Å; L525-L528 PolarHBondContact O-N 2.96Å; L528-W530 VanDerWaalsContact C-N 3.3Å; L528-W530 PolarHBondContact O-N 3.1Å; L528-V531 PolarHBondContact O-N 3.4Å; L528-V531 VanDerWaalsContact O-N 3.16Å; L528-E532 PolarHBondContact O-N 2.93Å |
| 529 | Y | 83.7 | Confident | 75.6 | Confident | 45 Ų | 45 | 71.4 Ų | 71.4 | 18% | 0.176 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -55.2 | -44.9 | 175.1 | 167.3 | -107.2 | 0 | 0 | 0 | 111.8 | L306 L309 V310 L525 I526 R533 | L306-Y529 HydrophobicContact CD1-CD2 4.4Å; L306-Y529 HydrophobicContact CD1-CE2 4.1Å; L306-Y529 HydrophobicContact CD2-CE2 4.49Å; L306-Y529 HydrophobicContact CG-CD2 4.33Å; L306-Y529 HydrophobicContact CG-CE2 4.1Å; L309-Y529 HydrophobicContact CB-CD2 4.5Å; V310-Y529 HydrophobicContact CG2-CD2 3.8Å; V310-Y529 HydrophobicContact CG2-CE2 3.31Å; L525-Y529 WeakPolarHBondContact O-CB 3.24Å; L525-Y529 PolarHBondContact O-N 2.94Å; I526-Y529 PolarHBondContact O-N 3.35Å; Y529-R533 WeakPolarHBondContact O-CB 3.45Å; Y529-R533 PolarHBondContact O-N 3.12Å; Y529-R533 WeakPolarHBondContact OH-CD 3.46Å; Y529-R533 PolarHBondContact OH-NH1 3.46Å |
| 530 | W | 79.3 | Confident | 73.1 | Confident | 120 Ų | 120 | 71.5 Ų | 71.5 | 46% | 0.455 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -67.1 | -38.7 | 176.6 | -73.1 | 109.7 | 0 | 0 | 0 | 113 | I526 H527 L528 R533 D534 | I526-W530 PolarHBondContact O-N 2.92Å; I526-W530 VanDerWaalsContact O-N 3.15Å; H527-W530 PolarHBondContact O-N 3.5Å; L528-W530 VanDerWaalsContact C-N 3.3Å; L528-W530 PolarHBondContact O-N 3.1Å; W530-R533 VanDerWaalsContact CZ3-NH1 3.26Å; W530-R533 PolarHBondContact O-N 3.22Å; W530-D534 WeakPolarHBondContact O-CB 3.39Å; W530-D534 PolarHBondContact O-N 2.78Å |
| 531 | V | 74.8 | Confident | 70.4 | Confident | 35 Ų | 35 | 73.2 Ų | 73.2 | 21% | 0.212 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.9 | -48.9 | 176.6 | 170.9 | 0 | 0 | 0 | 0 | 111.7 | H527 L528 D534 R535 | H527-V531 WeakPolarHBondContact O-CG2 3.45Å; H527-V531 PolarHBondContact O-N 3.36Å; L528-V531 PolarHBondContact O-N 3.4Å; L528-V531 VanDerWaalsContact O-N 3.16Å; V531-D534 PolarHBondContact O-N 3.27Å; V531-R535 WeakPolarHBondContact O-CG 3.43Å; V531-R535 PolarHBondContact O-N 2.79Å |
| 532 | E | 74.3 | Confident | 67.5 | Low | 19 Ų | 19 | 76.9 Ų | 76.9 | 9% | 0.089 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.4 | -40.3 | 177.2 | -69 | -63.5 | 101.3 | 0 | 0 | 111.6 | T305 L309 P497 L528 D534 R535 E536 | T305-E532 PolarHBondContact OG1-OE2 3.15Å; L309-E532 HydrophobicContact CD1-CB 4.18Å; L309-E532 HydrophobicContact CD1-CG 3.74Å; P497-E532 HydrophobicContact CG-CG 4.36Å; L528-E532 PolarHBondContact O-N 2.93Å; E532-D534 VanDerWaalsContact C-N 3.29Å; E532-D534 PolarHBondContact O-N 3.23Å; E532-R535 WeakPolarHBondContact O-CB 3.25Å; E532-R535 PolarHBondContact O-N 2.92Å; E532-R535 WeakPolarHBondContact OE1-CD 3.49Å; E532-R535 IonicContact OE1-CZ 2.66Å; E532-R535 IonicContact OE1-NE 2.81Å; E532-R535 IonicContact OE1-NH1 3.85Å; E532-R535 PolarHBondContact OE1-NH1 2.88Å; E532-E536 PolarHBondContact O-N 3.31Å |
| 533 | R | 75.7 | Confident | 64.8 | Low | 86 Ų | 86 | 85.9 Ų | 85.9 | 33% | 0.325 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65.6 | -30.2 | 178.1 | -170 | -174.1 | -174 | 179.6 | 8.7 | 113.4 | L306 Y529 W530 K537 | L306-R533 VanDerWaalsContact CD1-CA 3.46Å; L306-R533 HydrophobicContact CD1-CB 3.55Å; L306-R533 HydrophobicContact CD1-CG 3.92Å; Y529-R533 WeakPolarHBondContact O-CB 3.45Å; Y529-R533 PolarHBondContact O-N 3.12Å; Y529-R533 WeakPolarHBondContact OH-CD 3.46Å; Y529-R533 PolarHBondContact OH-NH1 3.46Å; W530-R533 VanDerWaalsContact CZ3-NH1 3.26Å; W530-R533 PolarHBondContact O-N 3.22Å; R533-K537 VanDerWaalsContact O-CE 3.26Å; R533-K537 WeakPolarHBondContact O-CE 3.06Å; R533-K537 WeakPolarHBondContact O-CG 3.43Å |
| 534 | D | 69 | Low | 62.4 | Low | 57 Ų | 57 | 85.2 Ų | 85.2 | 31% | 0.305 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -84 | -28.5 | 175.3 | -73.1 | -16.7 | 0 | 0 | 0 | 111.9 | W530 V531 E532 K537 S538 | W530-D534 WeakPolarHBondContact O-CB 3.39Å; W530-D534 PolarHBondContact O-N 2.78Å; V531-D534 PolarHBondContact O-N 3.27Å; E532-D534 VanDerWaalsContact C-N 3.29Å; E532-D534 PolarHBondContact O-N 3.23Å; D534-K537 PolarHBondContact O-N 3.08Å; D534-K537 IonicContact OD1-NZ 3.38Å; D534-K537 PolarHBondContact OD1-NZ 3.45Å; D534-S538 WeakPolarHBondContact O-CB 3.29Å; D534-S538 PolarHBondContact O-N 3Å; D534-S538 PolarHBondContact O-OG 3.32Å |
| 535 | R | 66 | Low | 60 | Low | 100 Ų | 100 | 88.8 Ų | 88.8 | 38% | 0.377 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -59.2 | -46.7 | 166.4 | -76.5 | 166.2 | 158.8 | -162.1 | -9 | 112.1 | V531 E532 K537 S538 F539 | V531-R535 WeakPolarHBondContact O-CG 3.43Å; V531-R535 PolarHBondContact O-N 2.79Å; E532-R535 WeakPolarHBondContact O-CB 3.25Å; E532-R535 PolarHBondContact O-N 2.92Å; E532-R535 WeakPolarHBondContact OE1-CD 3.49Å; E532-R535 IonicContact OE1-CZ 2.66Å; E532-R535 IonicContact OE1-NE 2.81Å; E532-R535 IonicContact OE1-NH1 3.85Å; E532-R535 PolarHBondContact OE1-NH1 2.88Å; R535-K537 PolarHBondContact O-N 2.96Å; R535-S538 WeakPolarHBondContact CA-OG 3.39Å; R535-S538 PolarHBondContact O-N 2.86Å; R535-S538 PolarHBondContact O-OG 3.39Å; R535-S538 VanDerWaalsContact O-OG 3.1Å; R535-F539 WeakPolarHBondContact O-CD2 3.49Å |
| 536 | E | 62.7 | Low | 57.2 | Low | 107 Ų | 107 | 91.3 Ų | 91.3 | 50% | 0.5 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -58.4 | -33.2 | 175.3 | -75.3 | -174.4 | 173.7 | 0 | 0 | 112.8 | L306 E532 | L306-E536 WeakPolarHBondContact CB-OE1 3.46Å; E532-E536 PolarHBondContact O-N 3.31Å |
| 537 | K | 56.4 | Low | 54.8 | Low | 114 Ų | 114 | 92.9 Ų | 92.9 | 50% | 0.496 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -81.6 | -27.8 | 178.1 | -64.2 | 167 | -157.8 | 152.1 | 0 | 113.5 | R533 D534 R535 F539 | R533-K537 VanDerWaalsContact O-CE 3.26Å; R533-K537 WeakPolarHBondContact O-CE 3.06Å; R533-K537 WeakPolarHBondContact O-CG 3.43Å; D534-K537 PolarHBondContact O-N 3.08Å; D534-K537 IonicContact OD1-NZ 3.38Å; D534-K537 PolarHBondContact OD1-NZ 3.45Å; R535-K537 PolarHBondContact O-N 2.96Å; K537-F539 VanDerWaalsContact C-N 3.29Å; K537-F539 PolarHBondContact O-N 3.07Å |
| 538 | S | 47 | Very low | 52.8 | Low | 44 Ų | 44 | 94.4 Ų | 94.4 | 31% | 0.308 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -80.9 | -1.5 | -168.8 | 59.7 | 0 | 0 | 0 | 0 | 114.8 | D534 R535 H540 V541 | D534-S538 WeakPolarHBondContact O-CB 3.29Å; D534-S538 PolarHBondContact O-N 3Å; D534-S538 PolarHBondContact O-OG 3.32Å; R535-S538 WeakPolarHBondContact CA-OG 3.39Å; R535-S538 PolarHBondContact O-N 2.86Å; R535-S538 PolarHBondContact O-OG 3.39Å; R535-S538 VanDerWaalsContact O-OG 3.1Å; S538-H540 PolarHBondContact O-N 3.3Å; S538-V541 PolarHBondContact O-N 3.22Å |
| 539 | F | 39.7 | Very low | 50.5 | Low | 177 Ų | 177 | 95.6 Ų | 95.6 | 78% | 0.776 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -3.3 | 173.5 | -83.3 | -85.7 | 0 | 0 | 0 | 115.6 | R535 K537 | R535-F539 WeakPolarHBondContact O-CD2 3.49Å; K537-F539 VanDerWaalsContact C-N 3.29Å; K537-F539 PolarHBondContact O-N 3.07Å |
| 540 | H | 34.1 | Very low | 48.2 | Very low | 190 Ų | 190 | 96.8 Ų | 96.8 | 88% | 0.88 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.8 | 14.5 | 172.1 | -75.5 | -46.5 | 0 | 0 | 0 | 115 | S538 | S538-H540 PolarHBondContact O-N 3.3Š|
| 541 | V | 31.2 | Very low | 46.2 | Very low | 90 Ų | 90 | 93.1 Ų | 93.1 | 55% | 0.545 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -127.4 | 132.8 | 178.7 | -175.4 | 0 | 0 | 0 | 0 | 110.6 | S538 | S538-V541 PolarHBondContact O-N 3.22Š|
| 542 | S | 29.5 | Very low | 44.5 | Very low | 77 Ų | 77 | 100.2 Ų | 100.2 | 54% | 0.538 | 50% | 0.499 | S | S | . | . | trans | -69.3 | 136.2 | 178.7 | 50.3 | 0 | 0 | 0 | 0 | 112 | N544 | S542-N544 PolarHBondContact O-N 2.71Š| ||
| 543 | Y | 33.5 | Very low | 42.7 | Very low | 203 Ų | 203 | 103.7 Ų | 103.7 | 80% | 0.796 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -20.9 | -174 | -91.8 | -99.1 | 0 | 0 | 0 | 115.6 | N545 | Y543-N545 PolarHBondContact O-N 3.24Š|
| 544 | N | 34 | Very low | 40.8 | Very low | 142 Ų | 142 | 101.2 Ų | 101.2 | 76% | 0.759 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -9.5 | -164.3 | -59.6 | 6.5 | 0 | 0 | 0 | 114.8 | S542 | S542-N544 PolarHBondContact O-N 2.71Š|
| 545 | N | 35.5 | Very low | 39 | Very low | 131 Ų | 131 | 105.9 Ų | 105.9 | 70% | 0.701 | 54% | 0.538 | S | S | * | . | trans | -119.1 | 19.3 | -155.6 | -86.6 | 3.3 | 0 | 0 | 0 | 118.1 | Y543 | Y543-N545 PolarHBondContact O-N 3.24Š| ||
| 546 | M | 29.6 | Very low | 37.5 | Very low | 53 Ų | 53 | 103.7 Ų | 103.7 | 26% | 0.261 | 53% | 0.532 | S | S | . | . | trans | -96.7 | 163.2 | -179.4 | -59.8 | 159.6 | 72.6 | 0 | 0 | 112.7 | H556 K557 | M546-H556 HydrophobicContact CE-CB 4.37Å; M546-K557 HydrophobicContact CB-CB 3.31Å; M546-K557 HydrophobicContact CB-CD 4.09Å; M546-K557 HydrophobicContact CB-CG 4.2Å; M546-K557 HydrophobicContact CE-CB 4.47Å; M546-K557 WeakPolarHBondContact O-CD 3.27Å; M546-K557 PolarHBondContact O-NZ 2.91Å | ||
| 547 | P | 33.3 | Very low | 35.8 | Very low | 92 Ų | 92 | 102.5 Ų | 102.5 | 60% | 0.597 | 53% | 0.525 | S | S | * | . | trans | -111.7 | 133.1 | 173.2 | 37.7 | -30.3 | 0 | 0 | 0 | 116.9 | K557 W558 | P547-K557 WeakPolarHBondContact CD-O 3.47Å; P547-K557 CarbonylContact O-C 3.6Å; P547-K557 WeakPolarHBondContact O-CA 3.35Å; P547-K557 VanDerWaalsContact O-CB 3.31Å; P547-K557 WeakPolarHBondContact O-CB 3.25Å; P547-W558 PolarHBondContact O-N 3.43Å; P547-W558 VanDerWaalsContact O-N 3.14Å | ||
| 548 | P | 35.7 | Very low | 34.4 | Very low | 92 Ų | 92 | 105 Ų | 105 | 60% | 0.597 | 53% | 0.532 | S | S | * | . | trans | -26.3 | 142 | -163.1 | -38.2 | 36.3 | 0 | 0 | 0 | 124.3 | W558 | P548-W558 PolarHBondContact O-N 3.08Š| ||
| 549 | C | 35.8 | Very low | 33.4 | Very low | 34 Ų | 34 | 111.5 Ų | 111.5 | 23% | 0.23 | 56% | 0.555 | C | S | . | * | trans | -98.4 | 133.2 | 175.8 | -178.6 | 0 | 0 | 0 | 0 | 113.2 | L551 H556 W558 | C549-L551 VanDerWaalsContact C-N 3.28Å; C549-L551 PolarHBondContact O-N 3.12Å; C549-L551 VanDerWaalsContact O-N 3.16Å; C549-H556 VanDerWaalsContact CB-C 3.42Å; C549-H556 WeakPolarHBondContact CB-O 3.26Å; C549-H556 PolarHBondContact N-O 3.44Å; C549-W558 WeakPolarHBondContact CA-O 3.38Å | ||
| 550 | S | 35.7 | Very low | 32.9 | Very low | 70 Ų | 70 | 106.8 Ų | 106.8 | 49% | 0.49 | 54% | 0.542 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | 2.8 | -169 | -50.1 | 0 | 0 | 0 | 0 | 116.8 | ||
| 551 | L | 37.6 | Very low | 32.5 | Very low | 42 Ų | 42 | 107.5 Ų | 107.5 | 22% | 0.22 | 54% | 0.537 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | -0.8 | -169.6 | -67.9 | 168.9 | 0 | 0 | 0 | 115.1 | H527 C549 L553 I566 | H527-L551 WeakPolarHBondContact ND1-CD1 3.27Å; C549-L551 VanDerWaalsContact C-N 3.28Å; C549-L551 PolarHBondContact O-N 3.12Å; C549-L551 VanDerWaalsContact O-N 3.16Å; L551-L553 PolarHBondContact O-N 2.7Å; L551-I566 HydrophobicContact CD2-CD1 3.88Å |
| 552 | R | 37.3 | Very low | 32.3 | Very low | 185 Ų | 185 | 110.1 Ų | 110.1 | 70% | 0.698 | 54% | 0.538 | S | S | * | . | S | Bend | trans | 55.5 | -20.2 | -175.4 | -73.5 | -175.8 | 171.9 | 173.4 | -4.5 | 117.6 | C554 | R552-C554 PolarHBondContact O-N 2.8Å; R552-C554 VanDerWaalsContact O-N 3.14Å |
| 553 | L | 37.4 | Very low | 32.1 | Very low | 91 Ų | 91 | 109.7 Ų | 109.7 | 48% | 0.476 | 53% | 0.534 | S | S | . | . | S | Bend | trans | -74.1 | 4.5 | -179.1 | -68.1 | 169.4 | 0 | 0 | 0 | 115.2 | N499 L551 | N499-L553 PolarHBondContact ND2-O 2.65Å; L551-L553 PolarHBondContact O-N 2.7Å |
| 554 | C | 36.5 | Very low | 31.7 | Very low | 34 Ų | 34 | 105.6 Ų | 105.6 | 23% | 0.23 | 52% | 0.522 | C | S | . | . | S | Bend | trans | -161.2 | 147.2 | 166.9 | 59.7 | 0 | 0 | 0 | 0 | 112.4 | R552 H556 | R552-C554 PolarHBondContact O-N 2.8Å; R552-C554 VanDerWaalsContact O-N 3.14Å; C554-H556 PolarHBondContact O-N 2.86Å |
| 555 | N | 31.3 | Very low | 31.4 | Very low | 155 Ų | 155 | 102.6 Ų | 102.6 | 83% | 0.829 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -71.6 | 12.7 | 171.5 | -76.9 | -18.5 | 0 | 0 | 0 | 114 | ||
| 556 | H | 33.8 | Very low | 31.2 | Very low | 55 Ų | 55 | 100.5 Ų | 100.5 | 26% | 0.255 | 50% | 0.498 | S | S | . | . | trans | -75 | 177.8 | 164.6 | -66.1 | 128.2 | 0 | 0 | 0 | 110.8 | M546 C549 C554 | M546-H556 HydrophobicContact CE-CB 4.37Å; C549-H556 VanDerWaalsContact CB-C 3.42Å; C549-H556 WeakPolarHBondContact CB-O 3.26Å; C549-H556 PolarHBondContact N-O 3.44Å; C554-H556 PolarHBondContact O-N 2.86Å | ||
| 557 | K | 27.1 | Very low | 31.2 | Very low | 81 Ų | 81 | 104.3 Ų | 104.3 | 35% | 0.352 | 52% | 0.515 | S | S | . | . | trans | -158.3 | 79 | -145.1 | -80 | -151.1 | 175.8 | -180 | 0 | 110.6 | M546 P547 | M546-K557 HydrophobicContact CB-CB 3.31Å; M546-K557 HydrophobicContact CB-CD 4.09Å; M546-K557 HydrophobicContact CB-CG 4.2Å; M546-K557 HydrophobicContact CE-CB 4.47Å; M546-K557 WeakPolarHBondContact O-CD 3.27Å; M546-K557 PolarHBondContact O-NZ 2.91Å; P547-K557 WeakPolarHBondContact CD-O 3.47Å; P547-K557 CarbonylContact O-C 3.6Å; P547-K557 WeakPolarHBondContact O-CA 3.35Å; P547-K557 VanDerWaalsContact O-CB 3.31Å; P547-K557 WeakPolarHBondContact O-CB 3.25Å | ||
| 558 | W | 26.5 | Very low | 31.1 | Very low | 166 Ų | 166 | 107.9 Ų | 107.9 | 63% | 0.629 | 52% | 0.524 | S | S | * | . | trans | -155.2 | 147.6 | -179.9 | -82.6 | 77.3 | 0 | 0 | 0 | 112 | P547 P548 C549 | P547-W558 PolarHBondContact O-N 3.43Å; P547-W558 VanDerWaalsContact O-N 3.14Å; P548-W558 PolarHBondContact O-N 3.08Å; C549-W558 WeakPolarHBondContact CA-O 3.38Å | ||
| 559 | K | 26.3 | Very low | 30.7 | Very low | 182 Ų | 182 | 106.7 Ų | 106.7 | 79% | 0.791 | 51% | 0.512 | S | S | * | . | trans | -104.9 | 111.9 | 171.9 | -83.7 | -171.1 | 173.6 | -176.2 | 0 | 113.1 | ||||
| 560 | P | 29.1 | Very low | 30.4 | Very low | 77 Ų | 77 | 108.8 Ų | 108.8 | 50% | 0.5 | 52% | 0.516 | S | S | . | . | trans | -75.6 | 160.6 | 161.3 | -10.8 | 28.5 | 0 | 0 | 0 | 111.6 | ||||
| 561 | R | 26.3 | Very low | 29.9 | Very low | 206 Ų | 206 | 115 Ų | 115 | 78% | 0.777 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -88.8 | -0.4 | -177.8 | -84.5 | -169 | -178.1 | 160.9 | 6.2 | 116.3 | ||
| 562 | Y | 26.9 | Very low | 29.7 | Very low | 145 Ų | 145 | 117.1 Ų | 117.1 | 57% | 0.569 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -146.9 | 90.2 | -174.1 | -66.7 | -94.5 | 0 | 0 | 0 | 110.2 | T849 | Y562-T849 HydrophobicContact CD1-CG2 3.82Å; Y562-T849 HydrophobicContact CE1-CG2 3.65Å |
| 563 | C | 25.6 | Very low | 29.4 | Very low | 68 Ų | 68 | 112.9 Ų | 112.9 | 46% | 0.459 | 54% | 0.536 | S | S | . | . | trans | -167.4 | 135.2 | 166.1 | -92.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 564 | E | 24.6 | Very low | 29.2 | Very low | 117 Ų | 117 | 114.6 Ų | 114.6 | 55% | 0.547 | 55% | 0.545 | S | S | . | . | trans | -98 | 166.9 | 165.3 | -72.3 | -161.2 | 169.7 | 0 | 0 | 111.3 | I566 L851 | E564-I566 PolarHBondContact O-N 3.04Å; E564-I566 VanDerWaalsContact O-N 3.16Å; E564-L851 WeakPolarHBondContact OE2-CD2 3.2Å | ||
| 565 | P | 28.2 | Very low | 29.1 | Very low | 78 Ų | 78 | 121.7 Ų | 121.7 | 51% | 0.506 | 58% | 0.575 | S | S | . | * | trans | -69.1 | 109.2 | -177.6 | -17.6 | 32.8 | 0 | 0 | 0 | 112.6 | H567 Q568 | P565-H567 PolarHBondContact O-N 3.14Å; P565-Q568 PolarHBondContact O-N 2.95Å; P565-Q568 VanDerWaalsContact O-N 3.15Å | ||
| 566 | I | 31.1 | Very low | 29.2 | Very low | 88 Ų | 88 | 120.1 Ų | 120.1 | 45% | 0.451 | 56% | 0.563 | S | S | . | * | G | 310 helix | trans | -58.6 | -24.1 | -176.6 | -63.6 | 173.3 | 0 | 0 | 0 | 113.1 | L551 E564 Q568 L569 Y570 | L551-I566 HydrophobicContact CD2-CD1 3.88Å; E564-I566 PolarHBondContact O-N 3.04Å; E564-I566 VanDerWaalsContact O-N 3.16Å; I566-Q568 VanDerWaalsContact C-N 3.28Å; I566-Q568 PolarHBondContact O-N 2.65Å; I566-L569 PolarHBondContact O-N 3.47Å; I566-Y570 HydrophobicContact CG2-CD2 4.01Å; I566-Y570 HydrophobicContact CG2-CE2 4.33Å |
| 567 | H | 30 | Very low | 29.2 | Very low | 133 Ų | 133 | 121.8 Ų | 121.8 | 62% | 0.616 | 57% | 0.568 | S | S | * | * | G | 310 helix | trans | -64.8 | -19.9 | 177.4 | -93 | -79.7 | 0 | 0 | 0 | 115.4 | P565 | P565-H567 PolarHBondContact O-N 3.14Š|
| 568 | Q | 30 | Very low | 29.4 | Very low | 166 Ų | 166 | 120.7 Ų | 120.7 | 78% | 0.776 | 57% | 0.569 | S | S | * | * | G | 310 helix | trans | -91.9 | -13.7 | -177.5 | -73.8 | 178.2 | -56.6 | 0 | 0 | 113.9 | P565 I566 | P565-Q568 PolarHBondContact O-N 2.95Å; P565-Q568 VanDerWaalsContact O-N 3.15Å; I566-Q568 VanDerWaalsContact C-N 3.28Å; I566-Q568 PolarHBondContact O-N 2.65Å |
| 569 | L | 27.7 | Very low | 29.6 | Very low | 68 Ų | 68 | 120.2 Ų | 120.2 | 36% | 0.356 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99.5 | -15.9 | -177.1 | -77.8 | 164.6 | 0 | 0 | 0 | 114.1 | I566 T852 Y853 | I566-L569 PolarHBondContact O-N 3.47Å; L569-T852 HydrophobicContact CD1-CG2 4.24Å; L569-T852 HydrophobicContact CD2-CG2 4.25Å; L569-Y853 HydrophobicContact CD2-CE2 4.36Å |
| 570 | Y | 28.6 | Very low | 29.8 | Very low | 78 Ų | 78 | 116 Ų | 116 | 31% | 0.306 | 56% | 0.557 | S | S | . | * | trans | -125.5 | 115.4 | -177.3 | -63.9 | -68.4 | 0 | 0 | 0 | 111 | I566 I572 | I566-Y570 HydrophobicContact CG2-CD2 4.01Å; I566-Y570 HydrophobicContact CG2-CE2 4.33Å; Y570-I572 PolarHBondContact O-N 2.94Å | ||
| 571 | K | 27.2 | Very low | 29.7 | Very low | 201 Ų | 201 | 117.5 Ų | 117.5 | 87% | 0.874 | 56% | 0.561 | S | S | * | * | trans | -70.4 | 75.3 | 163.8 | -71.1 | -169.4 | 174.9 | -168.1 | 0 | 109.3 | ||||
| 572 | I | 32.1 | Very low | 29.8 | Very low | 86 Ų | 86 | 115.6 Ų | 115.6 | 44% | 0.441 | 56% | 0.558 | S | S | . | * | trans | -77.9 | 118.8 | 167.9 | -59.5 | 173 | 0 | 0 | 0 | 106 | Y570 D574 Y577 | Y570-I572 PolarHBondContact O-N 2.94Å; I572-D574 PolarHBondContact O-N 3.27Å; I572-Y577 HydrophobicContact CG2-CD2 3.5Å; I572-Y577 HydrophobicContact CG2-CE2 4.02Å; I572-Y577 HydrophobicContact CG2-CG 4.32Å | ||
| 573 | N | 30.9 | Very low | 29.8 | Very low | 95 Ų | 95 | 113.3 Ų | 113.3 | 51% | 0.508 | 56% | 0.563 | S | S | . | * | trans | -69.1 | 122.3 | 173.1 | -69.7 | -18 | 0 | 0 | 0 | 108.6 | E575 E576 | N573-E575 PolarHBondContact O-N 2.95Å; N573-E575 VanDerWaalsContact O-N 3.11Å; N573-E576 HydrophobicContact CB-CG 4.29Å; N573-E576 PolarHBondContact O-N 3.45Å; N573-E576 VanDerWaalsContact O-N 3.07Å | ||
| 574 | D | 32.9 | Very low | 29.8 | Very low | 127 Ų | 127 | 115 Ų | 115 | 68% | 0.679 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | -22.3 | -179.3 | -70.1 | -65.2 | 0 | 0 | 0 | 112.9 | I572 | I572-D574 PolarHBondContact O-N 3.27Š|
| 575 | E | 34.9 | Very low | 29.8 | Very low | 183 Ų | 183 | 113.6 Ų | 113.6 | 86% | 0.855 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | -30.1 | 175.8 | -58.7 | -172.3 | 153.1 | 0 | 0 | 113.8 | N573 | N573-E575 PolarHBondContact O-N 2.95Å; N573-E575 VanDerWaalsContact O-N 3.11Å |
| 576 | E | 32.8 | Very low | 29.6 | Very low | 122 Ų | 122 | 115 Ų | 115 | 57% | 0.57 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -22.6 | -178 | -73.8 | -173.6 | 178.2 | 0 | 0 | 113.3 | N573 P578 | N573-E576 HydrophobicContact CB-CG 4.29Å; N573-E576 PolarHBondContact O-N 3.45Å; N573-E576 VanDerWaalsContact O-N 3.07Å; E576-P578 WeakPolarHBondContact O-CD 3.03Å |
| 577 | Y | 33.9 | Very low | 29.3 | Very low | 91 Ų | 91 | 117.2 Ų | 117.2 | 36% | 0.357 | 59% | 0.59 | S | S | . | * | trans | -127.3 | 52.9 | -170.9 | -61.5 | -85.1 | 0 | 0 | 0 | 114 | I572 F579 L580 | I572-Y577 HydrophobicContact CG2-CD2 3.5Å; I572-Y577 HydrophobicContact CG2-CE2 4.02Å; I572-Y577 HydrophobicContact CG2-CG 4.32Å; Y577-F579 PolarHBondContact O-N 3.22Å; Y577-L580 HydrophobicContact CG-CD1 4.38Å; Y577-L580 PolarHBondContact O-N 3.36Å | ||
| 578 | P | 31 | Very low | 29.1 | Very low | 58 Ų | 58 | 119.2 Ų | 119.2 | 38% | 0.377 | 60% | 0.6 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.8 | -11.9 | -177 | 27 | -36.4 | 0 | 0 | 0 | 114.3 | E576 K582 | E576-P578 WeakPolarHBondContact O-CD 3.03Å; P578-K582 WeakPolarHBondContact O-CG 3.35Å |
| 579 | F | 31.9 | Very low | 28.9 | Very low | 156 Ų | 156 | 116.2 Ų | 116.2 | 68% | 0.684 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -20.2 | 175.7 | -54.1 | -81.3 | 0 | 0 | 0 | 113.7 | Y577 N581 | Y577-F579 PolarHBondContact O-N 3.22Å; F579-N581 VanDerWaalsContact C-N 3.33Å; F579-N581 PolarHBondContact O-N 3Å |
| 580 | L | 29.8 | Very low | 28.8 | Very low | 92 Ų | 92 | 121.4 Ų | 121.4 | 48% | 0.482 | 62% | 0.618 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.2 | -33.8 | 176.5 | -71.9 | 173.7 | 0 | 0 | 0 | 112 | Y577 | Y577-L580 HydrophobicContact CG-CD1 4.38Å; Y577-L580 PolarHBondContact O-N 3.36Å |
| 581 | N | 27 | Very low | 28.6 | Very low | 109 Ų | 109 | 123.4 Ų | 123.4 | 58% | 0.583 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | -22.3 | 179.8 | -74.4 | -30 | 0 | 0 | 0 | 113.9 | F579 S583 I584 | F579-N581 VanDerWaalsContact C-N 3.33Å; F579-N581 PolarHBondContact O-N 3Å; N581-S583 PolarHBondContact O-N 3.25Å; N581-I584 PolarHBondContact O-N 3.25Å |
| 582 | K | 27.8 | Very low | 28.5 | Very low | 167 Ų | 167 | 122.5 Ų | 122.5 | 73% | 0.726 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | 6.9 | -173.9 | -75.9 | -179.2 | 179.6 | -178.4 | 0 | 115.9 | P578 | P578-K582 WeakPolarHBondContact O-CG 3.35Š|
| 583 | S | 27.6 | Very low | 28.1 | Very low | 97 Ų | 97 | 122.4 Ų | 122.4 | 68% | 0.678 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.1 | 9.3 | 177.6 | 63.2 | 0 | 0 | 0 | 0 | 115.2 | N581 | N581-S583 PolarHBondContact O-N 3.25Š|
| 584 | I | 26.2 | Very low | 27.8 | Very low | 104 Ų | 104 | 125.3 Ų | 125.3 | 53% | 0.533 | 67% | 0.667 | S | S | . | * | trans | -126.1 | 105 | -179.1 | -54.6 | 179.7 | 0 | 0 | 0 | 110.1 | N581 | N581-I584 PolarHBondContact O-N 3.25Š| ||
| 585 | S | 23.4 | Very low | 27.6 | Very low | 86 Ų | 86 | 125 Ų | 125 | 60% | 0.601 | 67% | 0.67 | S | S | * | * | trans | -72.9 | 142.7 | 171.5 | 55.1 | 0 | 0 | 0 | 0 | 111.3 | I587 | S585-I587 PolarHBondContact O-N 3.1Š| ||
| 586 | P | 24 | Very low | 27.1 | Very low | 108 Ų | 108 | 122.2 Ų | 122.2 | 70% | 0.701 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -66.6 | -0.1 | -167 | -24.1 | 35.5 | 0 | 0 | 0 | 118 | H588 | P586-H588 VanDerWaalsContact C-N 3.32Å; P586-H588 PolarHBondContact O-N 3.23Å; P586-H588 VanDerWaalsContact O-N 3.14Å |
| 587 | I | 25.5 | Very low | 26.7 | Very low | 135 Ų | 135 | 124.6 Ų | 124.6 | 69% | 0.692 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | 4 | -152.4 | -62.5 | 171.7 | 0 | 0 | 0 | 114.2 | S585 | S585-I587 PolarHBondContact O-N 3.1Š|
| 588 | H | 26 | Very low | 26.2 | Very low | 175 Ų | 175 | 124.2 Ų | 124.2 | 81% | 0.81 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.6 | 18.7 | -173.5 | -102.6 | 47.4 | 0 | 0 | 0 | 116.6 | P586 | P586-H588 VanDerWaalsContact C-N 3.32Å; P586-H588 PolarHBondContact O-N 3.23Å; P586-H588 VanDerWaalsContact O-N 3.14Å |
| 589 | C | 25.3 | Very low | 26 | Very low | 102 Ų | 102 | 130.1 Ų | 130.1 | 69% | 0.689 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -114.6 | -3.1 | 175.6 | -71.3 | 0 | 0 | 0 | 0 | 115.5 | T591 | C589-T591 VanDerWaalsContact C-N 3.3Å; C589-T591 PolarHBondContact O-N 3.19Å |
| 590 | Q | 25.5 | Very low | 25.6 | Very low | 178 Ų | 178 | 132 Ų | 132 | 83% | 0.832 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | 20.1 | -177.3 | -68.4 | 177.8 | -57.8 | 0 | 0 | 115 | ||
| 591 | T | 25.2 | Very low | 25.3 | Very low | 120 Ų | 120 | 134.5 Ų | 134.5 | 74% | 0.736 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.9 | 21 | -173.9 | 55.3 | 0 | 0 | 0 | 0 | 115.1 | C589 | C589-T591 VanDerWaalsContact C-N 3.3Å; C589-T591 PolarHBondContact O-N 3.19Å |
| 592 | M | 24.6 | Very low | 25.2 | Very low | 182 Ų | 182 | 133.9 Ų | 133.9 | 90% | 0.897 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -141.5 | 22.9 | 174.1 | -76.7 | -74.1 | 157.5 | 0 | 0 | 112.1 | ||
| 593 | A | 24.5 | Very low | 25 | Very low | 83 Ų | 83 | 132.5 Ų | 132.5 | 69% | 0.686 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -131.4 | 41.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 594 | D | 24.6 | Very low | 24.8 | Very low | 156 Ų | 156 | 134.7 Ų | 134.7 | 83% | 0.834 | 74% | 0.744 | S | S | * | * | trans | -155.9 | 169.8 | 170.2 | -93.4 | -45.4 | 0 | 0 | 0 | 107.7 | ||||
| 595 | V | 27.8 | Very low | 24.7 | Very low | 122 Ų | 122 | 134.9 Ų | 134.9 | 74% | 0.739 | 76% | 0.755 | S | S | * | * | trans | 68.6 | 65.4 | -172.1 | -163.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 596 | T | 24.5 | Very low | 24.6 | Very low | 124 Ų | 124 | 139.9 Ų | 139.9 | 76% | 0.761 | 77% | 0.766 | S | S | * | * | trans | -63 | 139.3 | 144 | 46.5 | 0 | 0 | 0 | 0 | 110.8 | S598 | T596-S598 PolarHBondContact O-N 2.6Š| ||
| 597 | D | 24.6 | Very low | 24.6 | Very low | 172 Ų | 172 | 141 Ų | 141 | 92% | 0.92 | 77% | 0.77 | S | S | * | * | S | Bend | trans | 31.8 | 69.4 | 154.7 | -63.6 | -35.1 | 0 | 0 | 0 | 118.8 | ||
| 598 | S | 24.1 | Very low | 24.4 | Very low | 83 Ų | 83 | 142.1 Ų | 142.1 | 58% | 0.58 | 77% | 0.77 | S | S | * | * | trans | -145.1 | 165.1 | 157.6 | 71.3 | 0 | 0 | 0 | 0 | 112.7 | T596 | T596-S598 PolarHBondContact O-N 2.6Š| ||
| 599 | E | 25.9 | Very low | 24.3 | Very low | 182 Ų | 182 | 142.1 Ų | 142.1 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | trans | 57.8 | 63.6 | 165.1 | -54.6 | -162 | 161.8 | 0 | 0 | 117.7 | N601 | E599-N601 PolarHBondContact O-N 2.86Å; E599-N601 VanDerWaalsContact O-N 3.11Å | ||
| 600 | K | 24.1 | Very low | 24.1 | Very low | 196 Ų | 196 | 147.4 Ų | 147.4 | 85% | 0.852 | 78% | 0.78 | S | S | * | * | -51.2 | 109.9 | 124.2 | -66 | 173.3 | -173.6 | 165.7 | 0 | 107.7 | |||||
| 601 | N | 24 | Very low | 24 | Very low | 143 Ų | 143 | 142.2 Ų | 142.2 | 77% | 0.765 | 77% | 0.774 | S | S | * | * | 167.9 | 122.6 | 127.1 | -84.3 | -26.1 | 0 | 0 | 0 | 114.8 | E599 | E599-N601 PolarHBondContact O-N 2.86Å; E599-N601 VanDerWaalsContact O-N 3.11Å | |||
| 602 | S | 23.6 | Very low | 23.9 | Very low | 96 Ų | 96 | 142.2 Ų | 142.2 | 67% | 0.671 | 78% | 0.778 | S | S | * | * | trans | 76.7 | 141.6 | 130.5 | 84.9 | 0 | 0 | 0 | 0 | 122 | ||||
| 603 | I | 24.3 | Very low | 23.8 | Very low | 139 Ų | 139 | 141.7 Ų | 141.7 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | trans | 64.9 | 95.9 | 136 | -62.7 | 164.6 | 0 | 0 | 0 | 118.9 | ||||
| 604 | N | 23 | Very low | 23.8 | Very low | 143 Ų | 143 | 143.2 Ų | 143.2 | 77% | 0.765 | 78% | 0.783 | S | S | * | * | 61 | 166.2 | 123.6 | -63.1 | -29.2 | 0 | 0 | 0 | 122.9 | |||||
| 605 | S | 24.2 | Very low | 24.1 | Very low | 108 Ų | 108 | 140.8 Ų | 140.8 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | trans | 63.3 | 114.1 | 177 | 48.6 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 606 | K | 21.9 | Very low | 24 | Very low | 190 Ų | 190 | 142 Ų | 142 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | 67.7 | 98.8 | 66.6 | -74.4 | -172.7 | 174.3 | 178.9 | 0 | 114.1 | |||||
| 607 | T | 23 | Very low | 24.2 | Very low | 131 Ų | 131 | 142.8 Ų | 142.8 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | 68.2 | 163.9 | 157.6 | 75.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 608 | K | 22.6 | Very low | 24.2 | Very low | 159 Ų | 159 | 138.9 Ų | 138.9 | 69% | 0.691 | 76% | 0.764 | S | S | * | * | cis | -163.1 | 173.2 | 14.6 | -149 | 163 | 171.8 | -172.8 | 0 | 110.4 | ||||
| 609 | F | 22.3 | Very low | 24.5 | Very low | 176 Ų | 176 | 141.7 Ų | 141.7 | 77% | 0.772 | 77% | 0.773 | S | S | * | * | trans | 76.1 | 162.4 | 157.2 | -74 | -60.8 | 0 | 0 | 0 | 121.7 | ||||
| 610 | F | 22.5 | Very low | 24.5 | Very low | 213 Ų | 213 | 138.3 Ų | 138.3 | 93% | 0.934 | 77% | 0.769 | S | S | * | * | trans | -110.7 | 160.7 | -176.9 | -77.5 | -122.5 | 0 | 0 | 0 | 109.1 | ||||
| 611 | G | 22.5 | Very low | 24.8 | Very low | 69 Ų | 69 | 134.2 Ų | 134.2 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | trans | -168.7 | 121 | 166.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 612 | C | 22.4 | Very low | 25 | Very low | 119 Ų | 119 | 133.9 Ų | 133.9 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | 18.1 | 126 | 145.4 | -56.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 613 | L | 22.3 | Very low | 25.3 | Very low | 172 Ų | 172 | 136.5 Ų | 136.5 | 90% | 0.901 | 77% | 0.766 | S | S | * | * | 76.9 | 104.1 | 64 | -72.2 | 167.8 | 0 | 0 | 0 | 115.3 | |||||
| 614 | S | 24.7 | Very low | 25.4 | Very low | 115 Ų | 115 | 135.6 Ų | 135.6 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | -171.8 | 145.8 | 135.4 | -167.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 615 | P | 32.5 | Very low | 25.5 | Very low | 104 Ų | 104 | 133.3 Ų | 133.3 | 68% | 0.675 | 76% | 0.762 | S | S | * | * | trans | -105.1 | -163.4 | 171.9 | 40.8 | -33.7 | 0 | 0 | 0 | 113.2 | ||||
| 616 | N | 25.5 | Very low | 25.8 | Very low | 147 Ų | 147 | 132.2 Ų | 132.2 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | trans | 83.6 | 142.8 | 179 | -52.1 | -8.9 | 0 | 0 | 0 | 113.3 | ||||
| 617 | N | 27 | Very low | 26 | Very low | 141 Ų | 141 | 127 Ų | 127 | 75% | 0.754 | 76% | 0.755 | S | S | * | * | cis | -131 | 153.4 | 12.9 | -99.4 | -17.3 | 0 | 0 | 0 | 110.7 | ||||
| 618 | S | 26 | Very low | 26.1 | Very low | 90 Ų | 90 | 128.7 Ų | 128.7 | 63% | 0.629 | 76% | 0.757 | S | S | * | * | 62.9 | 140.9 | 99.1 | 103.8 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 619 | D | 29.1 | Very low | 26.3 | Very low | 142 Ų | 142 | 129.1 Ų | 129.1 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | cis | -147.3 | 169.5 | 21 | -103.9 | -55.2 | 0 | 0 | 0 | 116.6 | ||||
| 620 | S | 27.8 | Very low | 26.5 | Very low | 112 Ų | 112 | 126.2 Ų | 126.2 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | trans | 79.6 | 139.8 | 159.1 | 72.6 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 621 | P | 30.4 | Very low | 26.7 | Very low | 110 Ų | 110 | 123.6 Ų | 123.6 | 71% | 0.714 | 76% | 0.757 | S | S | * | * | trans | -125.8 | -179.6 | -170.6 | 44 | -27.9 | 0 | 0 | 0 | 114.3 | ||||
| 622 | D | 27.9 | Very low | 26.9 | Very low | 136 Ų | 136 | 128.1 Ų | 128.1 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | -173.8 | 152.2 | 106.4 | -113.2 | -24.8 | 0 | 0 | 0 | 116.1 | |||||
| 623 | I | 29.4 | Very low | 27.1 | Very low | 151 Ų | 151 | 131.2 Ų | 131.2 | 77% | 0.774 | 77% | 0.768 | S | S | * | * | trans | 53.4 | 129.2 | 158 | -58.1 | 163.5 | 0 | 0 | 0 | 119.7 | ||||
| 624 | V | 26.2 | Very low | 27.4 | Very low | 119 Ų | 119 | 130.6 Ų | 130.6 | 72% | 0.721 | 77% | 0.766 | S | S | * | * | -173.9 | 135.7 | -59.9 | 147.7 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 625 | S | 24.6 | Very low | 27.5 | Very low | 96 Ų | 96 | 129 Ų | 129 | 67% | 0.671 | 76% | 0.76 | S | S | * | * | trans | 29.4 | 112.5 | 164.2 | 68.4 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 626 | G | 30.4 | Very low | 27.2 | Very low | 85 Ų | 85 | 129.1 Ų | 129.1 | 88% | 0.876 | 76% | 0.762 | S | S | * | * | trans | -122.2 | 48.5 | 153.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 627 | S | 27.1 | Very low | 27.2 | Very low | 79 Ų | 79 | 130.5 Ų | 130.5 | 55% | 0.552 | 76% | 0.764 | S | S | * | * | trans | -17.8 | 125.3 | 179.9 | -50 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 628 | I | 25.3 | Very low | 27.1 | Very low | 168 Ų | 168 | 131.7 Ų | 131.7 | 86% | 0.862 | 77% | 0.77 | S | S | * | * | 48.5 | 55.7 | 58.1 | -42.7 | -177.2 | 0 | 0 | 0 | 112.1 | |||||
| 629 | Q | 25.4 | Very low | 27.1 | Very low | 168 Ų | 168 | 132 Ų | 132 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | trans | -153.7 | 137.4 | 158.4 | -105.5 | 164 | 23.9 | 0 | 0 | 108.8 | ||||
| 630 | S | 26.7 | Very low | 26.8 | Very low | 115 Ų | 115 | 132.4 Ų | 132.4 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | S | Bend | trans | 61.2 | 144.5 | -158.2 | 84 | 0 | 0 | 0 | 0 | 113.8 | ||
| 631 | I | 26.9 | Very low | 26.6 | Very low | 158 Ų | 158 | 132 Ų | 132 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | S | Bend | cis | -118 | 99.4 | -3.8 | -60.5 | 169.3 | 0 | 0 | 0 | 108.3 | ||
| 632 | N | 27.4 | Very low | 26.5 | Very low | 163 Ų | 163 | 131.4 Ų | 131.4 | 87% | 0.872 | 77% | 0.768 | S | S | * | * | trans | -162.2 | 36.7 | 160.4 | -107.8 | -31.4 | 0 | 0 | 0 | 112.2 | ||||
| 633 | Q | 26.7 | Very low | 26.3 | Very low | 185 Ų | 185 | 136.6 Ų | 136.6 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | trans | -95.8 | 93.4 | 162.4 | -80.8 | -175.3 | -19.3 | 0 | 0 | 108.7 | ||||
| 634 | N | 29 | Very low | 26 | Very low | 159 Ų | 159 | 139.2 Ų | 139.2 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | S | Bend | trans | 176.8 | 65.4 | 158.5 | -91 | -22.8 | 0 | 0 | 0 | 105.6 | ||
| 635 | A | 25.9 | Very low | 26 | Very low | 82 Ų | 82 | 141.2 Ų | 141.2 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | 91.4 | 95.3 | 94.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 636 | S | 25.6 | Very low | 26 | Very low | 105 Ų | 105 | 148.6 Ų | 148.6 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | 83.5 | 156.1 | 53.8 | 85.2 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 637 | Q | 26.3 | Very low | 25.6 | Very low | 177 Ų | 177 | 151.9 Ų | 151.9 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | trans | 78 | 151.1 | -178 | -48.7 | -169.3 | 8 | 0 | 0 | 117 | ||||
| 638 | L | 25.2 | Very low | 25.4 | Very low | 165 Ų | 165 | 153 Ų | 153 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | trans | 58.4 | 116 | 177.5 | -59.7 | 165.1 | 0 | 0 | 0 | 115.9 | ||||
| 639 | S | 25.3 | Very low | 25.5 | Very low | 98 Ų | 98 | 153.9 Ų | 153.9 | 69% | 0.685 | 80% | 0.799 | S | S | * | * | cis | 147.6 | 155.2 | -0.6 | 45.9 | 0 | 0 | 0 | 0 | 105.6 | S641 | S639-S641 PolarHBondContact O-N 3.35Š| ||
| 640 | T | 23.2 | Very low | 25.5 | Very low | 149 Ų | 149 | 150.9 Ų | 150.9 | 91% | 0.914 | 80% | 0.797 | S | S | * | * | trans | -84.8 | 111.2 | -167.4 | 49.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 641 | S | 24.6 | Very low | 25.3 | Very low | 105 Ų | 105 | 151.8 Ų | 151.8 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | trans | -155.2 | 172.7 | 159.1 | 61.4 | 0 | 0 | 0 | 0 | 112.8 | S639 R643 | S639-S641 PolarHBondContact O-N 3.35Å; S641-R643 PolarHBondContact O-N 3.49Å | ||
| 642 | D | 27.2 | Very low | 25.3 | Very low | 97 Ų | 97 | 149.5 Ų | 149.5 | 52% | 0.519 | 79% | 0.793 | S | S | . | * | trans | 54.5 | 39.1 | 168.1 | -78.3 | 25.6 | 0 | 0 | 0 | 120 | K644 K645 | D642-K644 PolarHBondContact O-N 3.39Å; D642-K645 PolarHBondContact O-N 2.98Å; D642-K645 VanDerWaalsContact OD2-CD 3.27Å; D642-K645 WeakPolarHBondContact OD2-CD 3.44Å; D642-K645 WeakPolarHBondContact OD2-CE 3.27Å; D642-K645 IonicContact OD2-NZ 3.39Å; D642-K645 PolarHBondContact OD2-NZ 2.61Å | ||
| 643 | R | 24.3 | Very low | 25.2 | Very low | 245 Ų | 245 | 151.1 Ų | 151.1 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.2 | 111.8 | 139.2 | -86.5 | -177 | 171.4 | 173.8 | -1.5 | 108 | S641 | S641-R643 PolarHBondContact O-N 3.49Š|
| 644 | K | 23.3 | Very low | 25.1 | Very low | 206 Ų | 206 | 149 Ų | 149 | 90% | 0.896 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 112.3 | 21 | -179.5 | -63 | 174.4 | 177 | 177.3 | 0 | 117.7 | D642 | D642-K644 PolarHBondContact O-N 3.39Š|
| 645 | K | 25.1 | Very low | 24.9 | Very low | 161 Ų | 161 | 152.1 Ų | 152.1 | 70% | 0.7 | 79% | 0.786 | S | S | * | * | trans | -125.2 | 76.9 | 160.4 | -72.8 | -171.6 | -166.3 | 129.7 | 0 | 113.8 | D642 | D642-K645 PolarHBondContact O-N 2.98Å; D642-K645 VanDerWaalsContact OD2-CD 3.27Å; D642-K645 WeakPolarHBondContact OD2-CD 3.44Å; D642-K645 WeakPolarHBondContact OD2-CE 3.27Å; D642-K645 IonicContact OD2-NZ 3.39Å; D642-K645 PolarHBondContact OD2-NZ 2.61Å | ||
| 646 | R | 24.8 | Very low | 24.9 | Very low | 251 Ų | 251 | 156 Ų | 156 | 95% | 0.947 | 80% | 0.796 | S | S | * | * | trans | -150.9 | 46.7 | 158.1 | -124.7 | -176.1 | -74.7 | -163.2 | 0.4 | 112.5 | ||||
| 647 | I | 23.4 | Very low | 25 | Very low | 153 Ų | 153 | 155.4 Ų | 155.4 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -103.2 | 141.2 | 162.8 | -66 | 171.1 | 0 | 0 | 0 | 106.6 | ||
| 648 | S | 22.5 | Very low | 25 | Very low | 103 Ų | 103 | 153.4 Ų | 153.4 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | trans | 47.4 | 88.2 | 169.5 | 60.8 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 649 | Q | 27.8 | Very low | 24.9 | Very low | 187 Ų | 187 | 149 Ų | 149 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | trans | -171.4 | 96 | 140 | -102.6 | 160.4 | 16.7 | 0 | 0 | 106.8 | ||||
| 650 | S | 24.2 | Very low | 24.9 | Very low | 105 Ų | 105 | 154.4 Ų | 154.4 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | 69.5 | 109.4 | 57.5 | 82.7 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 651 | V | 23.7 | Very low | 25 | Very low | 133 Ų | 133 | 154.3 Ų | 154.3 | 81% | 0.806 | 77% | 0.771 | S | S | * | * | trans | -170.4 | 145.2 | 142.2 | 133.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 652 | P | 26.1 | Very low | 25.1 | Very low | 111 Ų | 111 | 157.9 Ų | 157.9 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | trans | -102.2 | 125.7 | -170.3 | 36.1 | -31.8 | 0 | 0 | 0 | 115.3 | ||||
| 653 | K | 24.3 | Very low | 25 | Very low | 197 Ų | 197 | 158 Ų | 158 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | trans | -165.2 | 125.1 | 159.7 | -86.2 | 137.7 | 179.6 | -173.8 | 0 | 103.8 | ||||
| 654 | I | 26.2 | Very low | 25.2 | Very low | 139 Ų | 139 | 149.9 Ų | 149.9 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | S | Bend | cis | -125.1 | 107.9 | 22.5 | -60.8 | 149 | 0 | 0 | 0 | 108.9 | ||
| 655 | Y | 24.3 | Very low | 25.4 | Very low | 225 Ų | 225 | 149.2 Ų | 149.2 | 88% | 0.882 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -145.9 | 10.2 | 176.1 | -138.1 | -93.8 | 0 | 0 | 0 | 113.5 | ||
| 656 | N | 25 | Very low | 25.5 | Very low | 163 Ų | 163 | 150.3 Ų | 150.3 | 87% | 0.872 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -131 | 8.5 | -172.6 | -89.2 | -11.8 | 0 | 0 | 0 | 114.1 | ||
| 657 | Q | 27.9 | Very low | 25.8 | Very low | 94 Ų | 94 | 143.2 Ų | 143.2 | 44% | 0.439 | 74% | 0.74 | S | S | . | * | S | Bend | trans | -114.5 | 131 | 170 | -74.3 | 167.4 | -49.5 | 0 | 0 | 108.2 | F1288 | Q657-F1288 HydrophobicContact CG-CB 4.46Å; Q657-F1288 HydrophobicContact CG-CD1 4.15Å; Q657-F1288 HydrophobicContact CG-CG 4.27Å |
| 658 | L | 25.9 | Very low | 26 | Very low | 135 Ų | 135 | 144.2 Ų | 144.2 | 71% | 0.707 | 74% | 0.739 | S | S | * | * | S | Bend | trans | 55.6 | 103.7 | 172.3 | -59.5 | 161.4 | 0 | 0 | 0 | 115.8 | S1287 | L658-S1287 WeakPolarHBondContact CD2-O 3.48Š|
| 659 | G | 24.7 | Very low | 26.2 | Very low | 73 Ų | 73 | 149 Ų | 149 | 75% | 0.753 | 74% | 0.741 | S | S | * | * | cis | 173.8 | 131.4 | -3.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | E661 | G659-E661 PolarHBondContact O-N 2.79Š| ||
| 660 | K | 24.7 | Very low | 26.3 | Very low | 211 Ų | 211 | 143.5 Ų | 143.5 | 92% | 0.917 | 72% | 0.723 | S | S | * | * | trans | -94.4 | 90.8 | -171.3 | -69.4 | 174.2 | -176.8 | 162.4 | 0 | 113 | ||||
| 661 | E | 25.4 | Very low | 26.3 | Very low | 147 Ų | 147 | 148.5 Ų | 148.5 | 69% | 0.687 | 73% | 0.726 | S | S | * | * | trans | -115.8 | 95.1 | 163.5 | -68.8 | -161.5 | 172.8 | 0 | 0 | 113.2 | G659 K1285 | G659-E661 PolarHBondContact O-N 2.79Å; E661-K1285 IonicContact OE1-NZ 2.68Å; E661-K1285 PolarHBondContact OE1-NZ 3.1Å; E661-K1285 IonicContact OE2-NZ 3.99Å; E661-K1285 PolarHBondContact OE2-NZ 3.11Å | ||
| 662 | Q | 25.5 | Very low | 26.7 | Very low | 180 Ų | 180 | 150.1 Ų | 150.1 | 84% | 0.841 | 72% | 0.724 | S | S | * | * | trans | 42.1 | 87.5 | 145.3 | -49.8 | -166.3 | 28 | 0 | 0 | 120.1 | ||||
| 663 | C | 26.4 | Very low | 26.8 | Very low | 99 Ų | 99 | 153.1 Ų | 153.1 | 67% | 0.669 | 73% | 0.726 | S | S | * | * | trans | -110.7 | 125.7 | 149.4 | -88.5 | 0 | 0 | 0 | 0 | 110.6 | Q667 | C663-Q667 PolarHBondContact SG-NE2 3.19Š| ||
| 664 | T | 28.4 | Very low | 27.1 | Very low | 75 Ų | 75 | 149.4 Ų | 149.4 | 46% | 0.46 | 72% | 0.715 | S | S | . | * | trans | -84.4 | 166.9 | -159.1 | 69.3 | 0 | 0 | 0 | 0 | 114.3 | K666 Q667 | T664-K666 PolarHBondContact O-N 3.05Å; T664-K666 PolarHBondContact OG1-N 3.31Å; T664-Q667 PolarHBondContact O-N 2.9Å | ||
| 665 | K | 27.4 | Very low | 27.2 | Very low | 192 Ų | 192 | 151.2 Ų | 151.2 | 84% | 0.835 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.8 | -14.3 | 173.9 | -73.2 | 175.4 | 177.8 | 171.8 | 0 | 114 | ||
| 666 | K | 28.1 | Very low | 27.2 | Very low | 183 Ų | 183 | 144.9 Ų | 144.9 | 80% | 0.796 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -41.9 | 170.7 | -81.6 | -179.4 | 175.3 | 174.8 | 0 | 112.6 | T664 R669 | T664-K666 PolarHBondContact O-N 3.05Å; T664-K666 PolarHBondContact OG1-N 3.31Å; K666-R669 PolarHBondContact O-N 3.36Å; K666-R669 VanDerWaalsContact O-N 3.16Å |
| 667 | Q | 29.4 | Very low | 27.2 | Very low | 103 Ų | 103 | 146.1 Ų | 146.1 | 48% | 0.481 | 70% | 0.704 | S | S | . | * | G | 310 helix | trans | -67.2 | -39.9 | -177.7 | -76 | 151.9 | -59.1 | 0 | 0 | 112.3 | C663 T664 R669 S670 | C663-Q667 PolarHBondContact SG-NE2 3.19Å; T664-Q667 PolarHBondContact O-N 2.9Å; Q667-R669 PolarHBondContact O-N 2.8Å; Q667-R669 VanDerWaalsContact O-N 3.09Å; Q667-S670 WeakPolarHBondContact O-CB 3.24Å; Q667-S670 PolarHBondContact O-N 3.33Å |
| 668 | K | 27.8 | Very low | 27 | Very low | 174 Ų | 174 | 153.2 Ų | 153.2 | 76% | 0.757 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -62.6 | -14.1 | 174.2 | -73.8 | -171.9 | 174.6 | -177.2 | 0 | 114.3 | ||
| 669 | R | 27.5 | Very low | 27 | Very low | 204 Ų | 204 | 155.3 Ų | 155.3 | 77% | 0.77 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -87.7 | -7 | 174.2 | -72.9 | -179.8 | 169.7 | -178.8 | -3 | 114.2 | K666 Q667 | K666-R669 PolarHBondContact O-N 3.36Å; K666-R669 VanDerWaalsContact O-N 3.16Å; Q667-R669 PolarHBondContact O-N 2.8Å; Q667-R669 VanDerWaalsContact O-N 3.09Å |
| 670 | S | 29.4 | Very low | 27.1 | Very low | 70 Ų | 70 | 160.9 Ų | 160.9 | 49% | 0.49 | 74% | 0.737 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.7 | -38.8 | 178 | -166.3 | 0 | 0 | 0 | 0 | 112.8 | Q667 H672 K673 | Q667-S670 WeakPolarHBondContact O-CB 3.24Å; Q667-S670 PolarHBondContact O-N 3.33Å; S670-H672 PolarHBondContact O-N 2.96Å; S670-K673 PolarHBondContact O-N 3.07Å; S670-K673 VanDerWaalsContact O-N 3.11Å |
| 671 | W | 25.1 | Very low | 27.1 | Very low | 211 Ų | 211 | 158.8 Ų | 158.8 | 80% | 0.799 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -1.9 | -175.6 | -80.5 | 59.9 | 0 | 0 | 0 | 115.3 | ||
| 672 | H | 30.7 | Very low | 27 | Very low | 166 Ų | 166 | 158.4 Ų | 158.4 | 77% | 0.769 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.1 | 7.9 | 177.1 | -64.7 | -12.1 | 0 | 0 | 0 | 113.8 | S670 | S670-H672 PolarHBondContact O-N 2.96Š|
| 673 | K | 29.3 | Very low | 26.9 | Very low | 174 Ų | 174 | 154.5 Ų | 154.5 | 76% | 0.757 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -98.5 | -6.7 | 173.7 | -77.8 | -173.3 | 172.2 | -176.7 | 0 | 114.8 | S670 | S670-K673 PolarHBondContact O-N 3.07Å; S670-K673 VanDerWaalsContact O-N 3.11Å |
| 674 | I | 29.4 | Very low | 26.9 | Very low | 120 Ų | 120 | 159.5 Ų | 159.5 | 62% | 0.615 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -96.7 | -24.4 | -170.9 | -61.8 | 176.7 | 0 | 0 | 0 | 112.9 | P676 | I674-P676 WeakPolarHBondContact O-CD 3.49Š|
| 675 | F | 28.3 | Very low | 26.7 | Very low | 176 Ų | 176 | 165.2 Ų | 165.2 | 77% | 0.772 | 76% | 0.758 | S | S | * | * | trans | -120.4 | 94.4 | -176.6 | -68.5 | -79.8 | 0 | 0 | 0 | 113 | ||||
| 676 | P | 25.9 | Very low | 26.5 | Very low | 93 Ų | 93 | 165 Ų | 165 | 60% | 0.604 | 76% | 0.76 | S | S | * | * | trans | -73.5 | 146.3 | 158.2 | 31.9 | -31.1 | 0 | 0 | 0 | 110.2 | I674 | I674-P676 WeakPolarHBondContact O-CD 3.49Š| ||
| 677 | H | 25.4 | Very low | 26.5 | Very low | 189 Ų | 189 | 161 Ų | 161 | 88% | 0.875 | 75% | 0.752 | S | S | * | * | trans | 97.1 | 50.6 | -177.9 | -58 | -71.5 | 0 | 0 | 0 | 118.7 | ||||
| 678 | R | 23.6 | Very low | 26.1 | Very low | 242 Ų | 242 | 164.6 Ų | 164.6 | 91% | 0.913 | 77% | 0.767 | S | S | * | * | trans | -151.6 | 65.5 | 152.2 | -147.6 | 178.2 | -168.1 | -162.3 | 3.2 | 114 | ||||
| 679 | K | 24.7 | Very low | 25.9 | Very low | 179 Ų | 179 | 165.4 Ų | 165.4 | 78% | 0.778 | 77% | 0.773 | S | S | * | * | trans | -175.9 | 107.9 | 160.9 | -107.1 | 164.4 | -171.4 | -174.7 | 0 | 112.8 | I682 | K679-I682 HydrophobicContact CD-CD1 4.13Å; K679-I682 HydrophobicContact CG-CD1 4.28Å | ||
| 680 | Q | 26 | Very low | 25.7 | Very low | 191 Ų | 191 | 158.8 Ų | 158.8 | 89% | 0.893 | 77% | 0.768 | S | S | * | * | trans | -139.2 | 164.1 | 142.1 | -88.9 | -171.2 | -17.3 | 0 | 0 | 106.6 | ||||
| 681 | L | 24.9 | Very low | 25.4 | Very low | 167 Ų | 167 | 161.4 Ų | 161.4 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | trans | 64.5 | 83.8 | -165.8 | -60 | 171.2 | 0 | 0 | 0 | 114 | ||||
| 682 | I | 23.3 | Very low | 25.2 | Very low | 138 Ų | 138 | 159 Ų | 159 | 71% | 0.708 | 78% | 0.778 | S | S | * | * | trans | -121.2 | 90.9 | 154.7 | -60.5 | 177.4 | 0 | 0 | 0 | 107.4 | K679 | K679-I682 HydrophobicContact CD-CD1 4.13Å; K679-I682 HydrophobicContact CG-CD1 4.28Å | ||
| 683 | S | 24.1 | Very low | 24.8 | Very low | 99 Ų | 99 | 158.2 Ų | 158.2 | 69% | 0.692 | 78% | 0.777 | S | S | * | * | trans | -177.7 | 140.6 | 162.5 | 54.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 684 | K | 25.7 | Very low | 24.5 | Very low | 204 Ų | 204 | 156.4 Ų | 156.4 | 89% | 0.887 | 78% | 0.78 | S | S | * | * | cis | -124.2 | -179.6 | -3.2 | -64.2 | -179 | 179.5 | 175.2 | 0 | 110.4 | ||||
| 685 | K | 24.1 | Very low | 24.2 | Very low | 195 Ų | 195 | 154 Ų | 154 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | trans | -60.8 | 158.5 | 160.9 | -51.1 | 170.5 | -175.8 | 176 | 0 | 108.6 | ||||
| 686 | Q | 24.1 | Very low | 24.1 | Very low | 187 Ų | 187 | 149.8 Ų | 149.8 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | -160.2 | 176.3 | 57.4 | -101.9 | 164.4 | -56.9 | 0 | 0 | 112.4 | |||||
| 687 | P | 27.5 | Very low | 24.1 | Very low | 99 Ų | 99 | 151.3 Ų | 151.3 | 64% | 0.643 | 80% | 0.796 | S | S | * | * | trans | -104.1 | -163.7 | -175.9 | 39.9 | -30.9 | 0 | 0 | 0 | 114.3 | ||||
| 688 | F | 22.1 | Very low | 24.1 | Very low | 179 Ų | 179 | 146.7 Ų | 146.7 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | 78.3 | 130.9 | -173.9 | -58.1 | -83 | 0 | 0 | 0 | 113.6 | ||||
| 689 | H | 22.7 | Very low | 24.2 | Very low | 190 Ų | 190 | 143.3 Ų | 143.3 | 88% | 0.88 | 78% | 0.777 | S | S | * | * | 59 | 119.6 | 62.8 | -86.5 | -79.3 | 0 | 0 | 0 | 112.7 | |||||
| 690 | G | 22.9 | Very low | 24.3 | Very low | 65 Ų | 65 | 140.9 Ų | 140.9 | 67% | 0.67 | 77% | 0.772 | S | S | * | * | trans | 135.8 | 99.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 691 | T | 22.8 | Very low | 24.2 | Very low | 125 Ų | 125 | 139.7 Ų | 139.7 | 77% | 0.767 | 76% | 0.764 | S | S | * | * | 25.1 | 124 | 126.1 | 52.7 | 0 | 0 | 0 | 0 | 121 | |||||
| 692 | H | 22.6 | Very low | 24.1 | Very low | 160 Ų | 160 | 137.7 Ų | 137.7 | 74% | 0.741 | 75% | 0.754 | S | S | * | * | 80.7 | 141.7 | 129.4 | -87.3 | -84.3 | 0 | 0 | 0 | 123.9 | |||||
| 693 | M | 22 | Very low | 24 | Very low | 150 Ų | 150 | 138.9 Ų | 138.9 | 74% | 0.739 | 75% | 0.754 | S | S | * | * | trans | 70.3 | 117.2 | 147.4 | -66 | -28.5 | -163.8 | 0 | 0 | 123.1 | ||||
| 694 | V | 22.7 | Very low | 24 | Very low | 136 Ų | 136 | 140.7 Ų | 140.7 | 82% | 0.824 | 76% | 0.756 | S | S | * | * | 69.7 | 117.1 | 125.5 | -179.3 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 695 | G | 22.8 | Very low | 23.9 | Very low | 71 Ų | 71 | 137.4 Ų | 137.4 | 73% | 0.732 | 75% | 0.745 | S | S | * | * | trans | 106 | 150.8 | 132.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 696 | A | 25.6 | Very low | 23.8 | Very low | 87 Ų | 87 | 135.6 Ų | 135.6 | 72% | 0.719 | 74% | 0.737 | S | S | * | * | cis | -163 | 130.6 | -17.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 697 | S | 25.7 | Very low | 23.8 | Very low | 125 Ų | 125 | 132.3 Ų | 132.3 | 87% | 0.874 | 73% | 0.726 | S | S | * | * | trans | 62.3 | 174.5 | 161.5 | 81.8 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 698 | S | 26.8 | Very low | 23.6 | Very low | 91 Ų | 91 | 135 Ų | 135 | 64% | 0.636 | 73% | 0.727 | S | S | * | * | cis | -153.3 | 167.9 | 0.4 | 85 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 699 | K | 26.2 | Very low | 23.7 | Very low | 171 Ų | 171 | 132.8 Ų | 132.8 | 74% | 0.743 | 72% | 0.719 | S | S | * | * | cis | -165.7 | 144.9 | 3.8 | -128.6 | 156.1 | -169.6 | 170.8 | 0 | 107.8 | ||||
| 700 | N | 25.2 | Very low | 23.7 | Very low | 128 Ų | 128 | 131.1 Ų | 131.1 | 68% | 0.684 | 71% | 0.712 | S | S | * | * | trans | 48.6 | 152.2 | 133.7 | -66 | 9.3 | 0 | 0 | 0 | 121.7 | ||||
| 701 | K | 24.8 | Very low | 23.8 | Very low | 167 Ų | 167 | 132.4 Ų | 132.4 | 73% | 0.726 | 71% | 0.711 | S | S | * | * | cis | -147.2 | 145.7 | 12.3 | -112.2 | 148.4 | 173.7 | -167.9 | 0 | 107 | ||||
| 702 | L | 21.6 | Very low | 23.8 | Very low | 125 Ų | 125 | 131.4 Ų | 131.4 | 65% | 0.654 | 71% | 0.708 | S | S | * | * | 54.4 | 138.4 | 83.1 | -65.3 | 151.1 | 0 | 0 | 0 | 113.1 | |||||
| 703 | F | 23.1 | Very low | 23.8 | Very low | 163 Ų | 163 | 129 Ų | 129 | 72% | 0.715 | 71% | 0.706 | S | S | * | * | cis | -138.2 | 153.7 | 21.9 | -85.3 | -74.8 | 0 | 0 | 0 | 110.4 | ||||
| 704 | N | 23.4 | Very low | 23.8 | Very low | 137 Ų | 137 | 128.1 Ų | 128.1 | 73% | 0.733 | 71% | 0.709 | S | S | * | * | 63.5 | 140.4 | 80.1 | -111.4 | 20 | 0 | 0 | 0 | 113.1 | |||||
| 705 | M | 22.3 | Very low | 23.8 | Very low | 135 Ų | 135 | 126.6 Ų | 126.6 | 67% | 0.665 | 70% | 0.704 | S | S | * | * | cis | -151.5 | 163 | 21.3 | -88 | -152.7 | -84.8 | 0 | 0 | 113.8 | ||||
| 706 | K | 22.4 | Very low | 23.9 | Very low | 157 Ų | 157 | 133.8 Ų | 133.8 | 68% | 0.683 | 71% | 0.711 | S | S | * | * | trans | 52.8 | 121.2 | 136.5 | -71 | -177.4 | -179.4 | -178.9 | 0 | 120 | ||||
| 707 | D | 23.8 | Very low | 23.7 | Very low | 118 Ų | 118 | 135 Ų | 135 | 63% | 0.631 | 71% | 0.714 | S | S | * | * | 102.4 | 148 | 95 | -79.6 | 11.1 | 0 | 0 | 0 | 109.3 | |||||
| 708 | K | 24.4 | Very low | 23.7 | Very low | 154 Ų | 154 | 133.9 Ų | 133.9 | 67% | 0.67 | 71% | 0.706 | S | S | * | * | cis | -160.1 | 178.6 | 1.9 | -114.4 | 166.3 | 174.5 | -174.2 | 0 | 110.1 | ||||
| 709 | H | 24.2 | Very low | 23.6 | Very low | 134 Ų | 134 | 138.7 Ų | 138.7 | 62% | 0.62 | 72% | 0.718 | S | S | * | * | trans | 14.5 | 146 | 146.6 | -56.5 | -66.1 | 0 | 0 | 0 | 120.9 | ||||
| 710 | E | 23.3 | Very low | 23.4 | Very low | 155 Ų | 155 | 136 Ų | 136 | 72% | 0.724 | 72% | 0.72 | S | S | * | * | cis | -157.5 | -177.6 | 11.1 | -145.3 | 116.4 | -132.6 | 0 | 0 | 114.5 | ||||
| 711 | S | 24 | Very low | 23.3 | Very low | 92 Ų | 92 | 141 Ų | 141 | 64% | 0.643 | 73% | 0.729 | S | S | * | * | trans | -30.9 | 156.1 | 161.2 | 64 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 712 | S | 23.5 | Very low | 23.3 | Very low | 103 Ų | 103 | 137.3 Ų | 137.3 | 72% | 0.72 | 72% | 0.724 | S | S | * | * | 172.7 | 169.4 | 63.7 | 49.2 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 713 | T | 22.3 | Very low | 23.3 | Very low | 111 Ų | 111 | 138.6 Ų | 138.6 | 68% | 0.681 | 73% | 0.732 | S | S | * | * | cis | -166.2 | 157 | -28.7 | 30.2 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 714 | T | 22.2 | Very low | 23.3 | Very low | 131 Ų | 131 | 136.8 Ų | 136.8 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | trans | 62.7 | 154 | 153 | 43.7 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 715 | S | 23.2 | Very low | 23.3 | Very low | 104 Ų | 104 | 137.3 Ų | 137.3 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | cis | -155.3 | 169 | -7 | 40.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 716 | Y | 23.1 | Very low | 23.5 | Very low | 221 Ų | 221 | 137.8 Ų | 137.8 | 87% | 0.867 | 74% | 0.736 | S | S | * | * | trans | -39.9 | 152.6 | 151.5 | -69.7 | -99.8 | 0 | 0 | 0 | 111.4 | ||||
| 717 | S | 22.7 | Very low | 23.6 | Very low | 114 Ų | 114 | 137.9 Ų | 137.9 | 80% | 0.797 | 74% | 0.736 | S | S | * | * | -162.3 | -179.1 | 60 | 50.2 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 718 | S | 26 | Very low | 23.5 | Very low | 101 Ų | 101 | 137.4 Ų | 137.4 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | trans | -72.3 | 153.9 | 177.4 | 52.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 719 | E | 24 | Very low | 23.5 | Very low | 191 Ų | 191 | 134 Ų | 134 | 89% | 0.893 | 74% | 0.737 | S | S | * | * | -159.4 | -174.5 | 125.5 | -118.7 | 170 | -155.7 | 0 | 0 | 113.8 | |||||
| 720 | C | 23 | Very low | 23.5 | Very low | 114 Ų | 114 | 136.9 Ų | 136.9 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | trans | -117.5 | -179.6 | -161.2 | -63.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 721 | R | 22.1 | Very low | 23.5 | Very low | 233 Ų | 233 | 133.1 Ų | 133.1 | 88% | 0.879 | 75% | 0.746 | S | S | * | * | trans | 78.8 | 115.4 | 152.8 | -84 | -179.6 | 171.9 | 134.8 | -1.8 | 120.3 | ||||
| 722 | S | 23.9 | Very low | 23.5 | Very low | 90 Ų | 90 | 134.2 Ų | 134.2 | 63% | 0.629 | 75% | 0.749 | S | S | * | * | 47.6 | 124 | 128.6 | 61.7 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 723 | D | 22.9 | Very low | 23.5 | Very low | 152 Ų | 152 | 135.3 Ų | 135.3 | 81% | 0.813 | 75% | 0.746 | S | S | * | * | trans | 79 | 165.3 | 138.5 | -55.8 | -20.6 | 0 | 0 | 0 | 121.5 | ||||
| 724 | V | 23.3 | Very low | 23.6 | Very low | 126 Ų | 126 | 136.8 Ų | 136.8 | 76% | 0.764 | 75% | 0.75 | S | S | * | * | trans | 76.2 | 84.9 | 165 | -161.6 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 725 | I | 22.8 | Very low | 23.6 | Very low | 147 Ų | 147 | 137.6 Ų | 137.6 | 75% | 0.754 | 75% | 0.749 | S | S | * | * | 46.2 | 127.2 | 114 | -58.4 | 161.2 | 0 | 0 | 0 | 120.1 | |||||
| 726 | H | 25.6 | Very low | 23.7 | Very low | 145 Ų | 145 | 139.8 Ų | 139.8 | 67% | 0.671 | 75% | 0.745 | S | S | * | * | trans | 102.7 | 117.4 | 143.9 | -103.5 | -11.7 | 0 | 0 | 0 | 123.1 | ||||
| 727 | K | 25 | Very low | 23.6 | Very low | 159 Ų | 159 | 135.8 Ų | 135.8 | 69% | 0.691 | 73% | 0.734 | S | S | * | * | 90.5 | 140.1 | 124.2 | -99.4 | 167.7 | -179.3 | 149.3 | 0 | 121.6 | |||||
| 728 | C | 22.4 | Very low | 23.7 | Very low | 108 Ų | 108 | 138.1 Ų | 138.1 | 73% | 0.73 | 74% | 0.738 | S | S | * | * | trans | 70.4 | 151.9 | 147.9 | -67.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 729 | S | 23.4 | Very low | 23.5 | Very low | 84 Ų | 84 | 141.3 Ų | 141.3 | 59% | 0.587 | 74% | 0.742 | S | S | * | * | cis | 177.7 | 133.3 | -43.5 | 44 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 730 | Q | 25.1 | Very low | 23.5 | Very low | 194 Ų | 194 | 139 Ų | 139 | 91% | 0.907 | 74% | 0.736 | S | S | * | * | trans | 61.3 | 173.4 | 170.7 | -55.4 | 163.3 | -25.1 | 0 | 0 | 112.4 | ||||
| 731 | A | 23.7 | Very low | 23.5 | Very low | 76 Ų | 76 | 138.2 Ų | 138.2 | 63% | 0.628 | 73% | 0.731 | S | S | * | * | cis | -132.8 | 135.3 | -13.3 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 732 | T | 22.9 | Very low | 23.6 | Very low | 115 Ų | 115 | 133.1 Ų | 133.1 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | 66.8 | 156.4 | 107.3 | 73.3 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 733 | D | 23.6 | Very low | 23.6 | Very low | 125 Ų | 125 | 134.1 Ų | 134.1 | 67% | 0.668 | 73% | 0.733 | S | S | * | * | trans | 55.6 | 104 | 158.4 | -39.4 | -46.3 | 0 | 0 | 0 | 117.9 | ||||
| 734 | N | 25.5 | Very low | 23.8 | Very low | 143 Ų | 143 | 139.1 Ų | 139.1 | 77% | 0.765 | 74% | 0.741 | S | S | * | * | -169.8 | 143.5 | 63.4 | -90.2 | -73.9 | 0 | 0 | 0 | 114.6 | |||||
| 735 | L | 22.3 | Very low | 24 | Very low | 147 Ų | 147 | 139.1 Ų | 139.1 | 77% | 0.77 | 73% | 0.731 | S | S | * | * | trans | -16.8 | 140.2 | 134.6 | -67 | 165.5 | 0 | 0 | 0 | 114.2 | ||||
| 736 | K | 23.5 | Very low | 24.5 | Very low | 151 Ų | 151 | 138.4 Ų | 138.4 | 66% | 0.657 | 72% | 0.724 | S | S | * | * | cis | -170.8 | 163.6 | 43.2 | -131.7 | 171.9 | -176.4 | -154.1 | 0 | 113.7 | ||||
| 737 | E | 22.5 | Very low | 24.8 | Very low | 136 Ų | 136 | 135.4 Ų | 135.4 | 64% | 0.636 | 72% | 0.717 | S | S | * | * | trans | 24.8 | 116.3 | 146.4 | -69.7 | 142.1 | -153.2 | 0 | 0 | 119.8 | ||||
| 738 | N | 24.2 | Very low | 25.4 | Very low | 164 Ų | 164 | 130.7 Ų | 130.7 | 88% | 0.877 | 70% | 0.704 | S | S | * | * | -163.2 | 157.2 | 101.1 | -105.4 | -66.7 | 0 | 0 | 0 | 113.9 | |||||
| 739 | E | 22 | Very low | 25.9 | Very low | 167 Ų | 167 | 127.5 Ų | 127.5 | 78% | 0.78 | 68% | 0.678 | S | S | * | * | trans | -93.2 | 139.3 | -173.7 | -53.4 | -179.7 | 127 | 0 | 0 | 112.1 | ||||
| 740 | N | 23.9 | Very low | 26.7 | Very low | 144 Ų | 144 | 126.1 Ų | 126.1 | 77% | 0.77 | 67% | 0.666 | S | S | * | * | 171.9 | 159 | 109.6 | -98.9 | -75 | 0 | 0 | 0 | 115.9 | |||||
| 741 | S | 22.7 | Very low | 27.6 | Very low | 97 Ų | 97 | 120.5 Ų | 120.5 | 68% | 0.678 | 64% | 0.643 | S | S | * | * | trans | 79.7 | 116 | 152.2 | 71.4 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 742 | T | 23.4 | Very low | 28.4 | Very low | 126 Ų | 126 | 121.9 Ų | 121.9 | 77% | 0.773 | 63% | 0.632 | S | S | * | * | trans | 83.1 | 108.1 | 133.9 | 51.8 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 743 | S | 24.5 | Very low | 29.1 | Very low | 111 Ų | 111 | 117.5 Ų | 117.5 | 78% | 0.776 | 60% | 0.604 | S | S | * | * | trans | 65.5 | 84.1 | 140.8 | 58.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 744 | R | 28.1 | Very low | 30.2 | Very low | 256 Ų | 256 | 119.8 Ų | 119.8 | 97% | 0.966 | 61% | 0.608 | S | S | * | * | trans | -89.1 | 11.1 | 162.4 | -93.7 | -174.9 | 179.6 | 176.8 | 1.8 | 115.9 | ||||
| 745 | F | 27.5 | Very low | 31.1 | Very low | 127 Ų | 127 | 121 Ų | 121 | 56% | 0.557 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -103.2 | 114.6 | -178.8 | -72.6 | -65.7 | 0 | 0 | 0 | 113.3 | F749 T750 | F745-F749 HydrophobicContact CB-CD1 4.2Å; F745-F749 AromaticContact CD1-CD1 3.42Å; F745-F749 HydrophobicContact CD1-CD1 3.42Å; F745-F749 VanDerWaalsContact CD1-CD1 3.42Å; F745-F749 AromaticContact CD1-CE1 3.52Å; F745-F749 HydrophobicContact CD1-CE1 3.52Å; F745-F749 HydrophobicContact CD1-CG 4.29Å; F745-F749 HydrophobicContact CD1-CZ 4.45Å; F745-F749 HydrophobicContact CE1-CD1 4.03Å; F745-F749 AromaticContact CE1-CE1 3.61Å; F745-F749 HydrophobicContact CE1-CE1 3.61Å; F745-F749 HydrophobicContact CE1-CZ 4.28Å; F745-F749 AromaticContact CG-CD1 3.98Å; F745-F749 HydrophobicContact CG-CD1 3.98Å; F745-F749 HydrophobicContact CG-CE1 4.26Å; F745-F749 HydrophobicContact CZ-CE1 4.4Å; F745-T750 HydrophobicContact CB-CG2 4.2Å |
| 746 | H | 31.7 | Very low | 31.6 | Very low | 132 Ų | 132 | 119 Ų | 119 | 61% | 0.611 | 59% | 0.588 | S | S | * | * | trans | -56 | 142.8 | -180 | -174.4 | -104.2 | 0 | 0 | 0 | 112.7 | S748 F749 T750 | H746-S748 PolarHBondContact ND1-N 3.49Å; H746-S748 PolarHBondContact ND1-OG 3.37Å; H746-S748 PolarHBondContact O-N 2.92Å; H746-F749 WeakPolarHBondContact O-CB 3.07Å; H746-F749 PolarHBondContact O-N 3.04Å; H746-T750 PolarHBondContact O-N 3.38Å | ||
| 747 | P | 33.3 | Very low | 32.3 | Very low | 82 Ų | 82 | 119.7 Ų | 119.7 | 53% | 0.532 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -57.8 | -19.8 | -176.7 | -29 | 36.8 | 0 | 0 | 0 | 115.9 | T750 N751 | P747-T750 PolarHBondContact O-OG1 2.94Å; P747-N751 VanDerWaalsContact O-CB 3.29Å; P747-N751 WeakPolarHBondContact O-CB 3.29Å; P747-N751 PolarHBondContact O-N 3.35Å; P747-N751 PolarHBondContact O-ND2 3.12Å |
| 748 | S | 36.5 | Very low | 32.7 | Very low | 60 Ų | 60 | 114.5 Ų | 114.5 | 42% | 0.42 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -68.8 | -36.3 | 171.3 | 63.7 | 0 | 0 | 0 | 0 | 112.7 | H746 N751 W752 | H746-S748 PolarHBondContact ND1-N 3.49Å; H746-S748 PolarHBondContact ND1-OG 3.37Å; H746-S748 PolarHBondContact O-N 2.92Å; S748-N751 CarbonylContact O-C 3.55Å; S748-W752 VanDerWaalsContact O-CB 3.26Å; S748-W752 WeakPolarHBondContact O-CB 3.36Å; S748-W752 PolarHBondContact O-N 2.96Å |
| 749 | F | 34.6 | Very low | 33.2 | Very low | 40 Ų | 40 | 112.7 Ų | 112.7 | 18% | 0.175 | 55% | 0.549 | C | S | . | . | H | α-helix | trans | -74 | -44.1 | -176.4 | -173.7 | -102.2 | 0 | 0 | 0 | 111.3 | F745 H746 N751 W752 L753 | F745-F749 HydrophobicContact CB-CD1 4.2Å; F745-F749 AromaticContact CD1-CD1 3.42Å; F745-F749 HydrophobicContact CD1-CD1 3.42Å; F745-F749 VanDerWaalsContact CD1-CD1 3.42Å; F745-F749 AromaticContact CD1-CE1 3.52Å; F745-F749 HydrophobicContact CD1-CE1 3.52Å; F745-F749 HydrophobicContact CD1-CG 4.29Å; F745-F749 HydrophobicContact CD1-CZ 4.45Å; F745-F749 HydrophobicContact CE1-CD1 4.03Å; F745-F749 AromaticContact CE1-CE1 3.61Å; F745-F749 HydrophobicContact CE1-CE1 3.61Å; F745-F749 HydrophobicContact CE1-CZ 4.28Å; F745-F749 AromaticContact CG-CD1 3.98Å; F745-F749 HydrophobicContact CG-CD1 3.98Å; F745-F749 HydrophobicContact CG-CE1 4.26Å; F745-F749 HydrophobicContact CZ-CE1 4.4Å; H746-F749 WeakPolarHBondContact O-CB 3.07Å; H746-F749 PolarHBondContact O-N 3.04Å; F749-N751 PolarHBondContact O-N 3.43Å; F749-W752 HydrophobicContact CD2-CE3 4.33Å; F749-W752 HydrophobicContact CE2-CE3 4.21Å; F749-W752 HydrophobicContact CE2-CZ3 4.18Å; F749-W752 WeakPolarHBondContact O-CA 3.44Å; F749-W752 WeakPolarHBondContact O-CB 3.41Å; F749-W752 PolarHBondContact O-N 3.29Å; F749-L753 HydrophobicContact CD1-CD1 4.01Å; F749-L753 HydrophobicContact CE1-CD1 3.74Å; F749-L753 HydrophobicContact CE1-CG 4.31Å; F749-L753 HydrophobicContact CZ-CD1 4.46Å; F749-L753 WeakPolarHBondContact O-CG 3.37Å; F749-L753 PolarHBondContact O-N 3.43Å |
| 750 | T | 39.8 | Very low | 33.6 | Very low | 56 Ų | 56 | 107.9 Ų | 107.9 | 34% | 0.344 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.5 | -35.9 | 173.7 | 54.4 | 0 | 0 | 0 | 0 | 112.1 | F745 H746 P747 W752 K754 | F745-T750 HydrophobicContact CB-CG2 4.2Å; H746-T750 PolarHBondContact O-N 3.38Å; P747-T750 PolarHBondContact O-OG1 2.94Å; T750-W752 VanDerWaalsContact C-N 3.31Å; T750-K754 WeakPolarHBondContact O-CB 3.12Å; T750-K754 WeakPolarHBondContact O-CG 3.49Å; T750-K754 PolarHBondContact O-N 2.72Å |
| 751 | N | 42.8 | Very low | 34 | Very low | 76 Ų | 76 | 102.8 Ų | 102.8 | 41% | 0.406 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -71.2 | -21.2 | 169.3 | -82 | -65.9 | 0 | 0 | 0 | 113.9 | P747 S748 F749 R755 | P747-N751 VanDerWaalsContact O-CB 3.29Å; P747-N751 WeakPolarHBondContact O-CB 3.29Å; P747-N751 PolarHBondContact O-N 3.35Å; P747-N751 PolarHBondContact O-ND2 3.12Å; S748-N751 CarbonylContact O-C 3.55Å; F749-N751 PolarHBondContact O-N 3.43Å; N751-R755 WeakPolarHBondContact O-CB 3.43Å; N751-R755 WeakPolarHBondContact O-CD 3.47Å; N751-R755 VanDerWaalsContact O-CG 3.23Å; N751-R755 WeakPolarHBondContact O-CG 3.35Å; N751-R755 PolarHBondContact O-N 3.45Å |
| 752 | W | 40.7 | Very low | 34.3 | Very low | 105 Ų | 105 | 102.8 Ų | 102.8 | 40% | 0.398 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -77.4 | -47.1 | 172.8 | 176.3 | 89.7 | 0 | 0 | 0 | 110.4 | S748 F749 T750 K754 R755 Q756 | S748-W752 VanDerWaalsContact O-CB 3.26Å; S748-W752 WeakPolarHBondContact O-CB 3.36Å; S748-W752 PolarHBondContact O-N 2.96Å; F749-W752 HydrophobicContact CD2-CE3 4.33Å; F749-W752 HydrophobicContact CE2-CE3 4.21Å; F749-W752 HydrophobicContact CE2-CZ3 4.18Å; F749-W752 WeakPolarHBondContact O-CA 3.44Å; F749-W752 WeakPolarHBondContact O-CB 3.41Å; F749-W752 PolarHBondContact O-N 3.29Å; T750-W752 VanDerWaalsContact C-N 3.31Å; W752-K754 PolarHBondContact O-N 3.46Å; W752-R755 CarbonylContact O-C 2.72Å; W752-R755 WeakPolarHBondContact O-CA 3.34Å; W752-R755 WeakPolarHBondContact O-CB 3.49Å; W752-R755 PolarHBondContact O-N 2.73Å; W752-Q756 HydrophobicContact CD2-CG 4.24Å; W752-Q756 HydrophobicContact CZ2-CG 4.3Å; W752-Q756 WeakPolarHBondContact O-CG 3.47Å; W752-Q756 PolarHBondContact O-N 3.31Å |
| 753 | L | 37.1 | Very low | 34.5 | Very low | 22 Ų | 22 | 104 Ų | 104 | 12% | 0.115 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -56 | -46.6 | 172.2 | -68.1 | 172.1 | 0 | 0 | 0 | 112 | F749 R755 Q756 R757 C758 F774 | F749-L753 HydrophobicContact CD1-CD1 4.01Å; F749-L753 HydrophobicContact CE1-CD1 3.74Å; F749-L753 HydrophobicContact CE1-CG 4.31Å; F749-L753 HydrophobicContact CZ-CD1 4.46Å; F749-L753 WeakPolarHBondContact O-CG 3.37Å; F749-L753 PolarHBondContact O-N 3.43Å; L753-R755 PolarHBondContact O-N 2.64Å; L753-Q756 PolarHBondContact O-N 3.15Å; L753-R757 PolarHBondContact O-N 3.29Å; L753-R757 VanDerWaalsContact O-N 3.14Å; L753-C758 HydrophobicContact CD2-CB 3.99Å; L753-C758 PolarHBondContact O-N 3.49Å; L753-F774 HydrophobicContact CD2-CE1 4.02Å |
| 754 | K | 47 | Very low | 34.6 | Very low | 174 Ų | 174 | 105.5 Ų | 105.5 | 76% | 0.757 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.1 | -28.4 | 173.8 | -75 | 178.6 | 178 | -178.5 | 0 | 113.5 | T750 W752 | T750-K754 WeakPolarHBondContact O-CB 3.12Å; T750-K754 WeakPolarHBondContact O-CG 3.49Å; T750-K754 PolarHBondContact O-N 2.72Å; W752-K754 PolarHBondContact O-N 3.46Å |
| 755 | R | 45.1 | Very low | 34.5 | Very low | 168 Ų | 168 | 99.6 Ų | 99.6 | 63% | 0.634 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -81.8 | -23.6 | 174.2 | -78.5 | 171.7 | 177.3 | 139.9 | 3.7 | 113.7 | N751 W752 L753 | N751-R755 WeakPolarHBondContact O-CB 3.43Å; N751-R755 WeakPolarHBondContact O-CD 3.47Å; N751-R755 VanDerWaalsContact O-CG 3.23Å; N751-R755 WeakPolarHBondContact O-CG 3.35Å; N751-R755 PolarHBondContact O-N 3.45Å; W752-R755 CarbonylContact O-C 2.72Å; W752-R755 WeakPolarHBondContact O-CA 3.34Å; W752-R755 WeakPolarHBondContact O-CB 3.49Å; W752-R755 PolarHBondContact O-N 2.73Å; L753-R755 PolarHBondContact O-N 2.64Å |
| 756 | Q | 33.8 | Very low | 34.3 | Very low | 105 Ų | 105 | 102.6 Ų | 102.6 | 49% | 0.491 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -95.6 | -3.1 | -179.7 | -61 | -62.2 | -4.2 | 0 | 0 | 114.3 | W752 L753 C758 | W752-Q756 HydrophobicContact CD2-CG 4.24Å; W752-Q756 HydrophobicContact CZ2-CG 4.3Å; W752-Q756 WeakPolarHBondContact O-CG 3.47Å; W752-Q756 PolarHBondContact O-N 3.31Å; L753-Q756 PolarHBondContact O-N 3.15Å; Q756-C758 VanDerWaalsContact C-N 3.26Å; Q756-C758 PolarHBondContact O-N 3.12Å |
| 757 | R | 37.7 | Very low | 33.9 | Very low | 165 Ų | 165 | 99.5 Ų | 99.5 | 62% | 0.623 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.7 | 32.7 | -174.4 | -56.8 | -178.1 | 171.4 | -165.8 | -3.5 | 114.2 | L753 E777 | L753-R757 PolarHBondContact O-N 3.29Å; L753-R757 VanDerWaalsContact O-N 3.14Å; R757-E777 PolarHBondContact O-N 3.16Å |
| 758 | C | 30.9 | Very low | 33.6 | Very low | 27 Ų | 27 | 101 Ų | 101 | 18% | 0.182 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 124.5 | 175.3 | -56.3 | 0 | 0 | 0 | 0 | 110.4 | L753 Q756 F774 C776 | L753-C758 HydrophobicContact CD2-CB 3.99Å; L753-C758 PolarHBondContact O-N 3.49Å; Q756-C758 VanDerWaalsContact C-N 3.26Å; Q756-C758 PolarHBondContact O-N 3.12Å; C758-F774 HydrophobicContact CB-CD1 4.4Å; C758-C776 VanDerWaalsContact SG-SG 3.67Å |
| 759 | K | 34.9 | Very low | 33 | Very low | 126 Ų | 126 | 100.4 Ų | 100.4 | 55% | 0.548 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 140.4 | 158.2 | -78.6 | 174.1 | 178.3 | 162.1 | 0 | 109 | N775 E777 | K759-N775 PolarHBondContact N-O 3.4Å; K759-N775 PolarHBondContact O-N 3.48Å; K759-E777 WeakPolarHBondContact CD-OE1 3.47Å; K759-E777 WeakPolarHBondContact CE-OE1 3.47Å; K759-E777 IonicContact NZ-OE1 3.53Å; K759-E777 PolarHBondContact NZ-OE1 3.36Å |
| 760 | L | 29.3 | Very low | 32.6 | Very low | 66 Ų | 66 | 103.4 Ų | 103.4 | 35% | 0.346 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 118.4 | 176.1 | -165.9 | 124.7 | 0 | 0 | 0 | 107.6 | I762 I772 F774 | L760-I762 HydrophobicContact CD2-CD1 4.06Å; L760-I762 HydrophobicContact CD2-CG1 3.98Å; L760-I772 HydrophobicContact CD1-CG2 3.97Å; L760-I772 HydrophobicContact CG-CG2 4.26Å; L760-F774 HydrophobicContact CD1-CD1 4.45Å; L760-F774 HydrophobicContact CD1-CE1 3.87Å; L760-F774 HydrophobicContact CD1-CZ 3.96Å |
| 761 | S | 31.9 | Very low | 31.9 | Very low | 37 Ų | 37 | 107 Ų | 107 | 26% | 0.259 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 128.7 | 178.3 | 53.5 | 0 | 0 | 0 | 0 | 109.8 | K773 N775 | S761-K773 PolarHBondContact N-O 3.16Å; S761-K773 PolarHBondContact O-N 3.3Å; S761-K773 PolarHBondContact OG-O 3.15Å; S761-N775 PolarHBondContact OG-ND2 3.19Å |
| 762 | I | 29.5 | Very low | 31.1 | Very low | 97 Ų | 97 | 106.8 Ų | 106.8 | 50% | 0.497 | 53% | 0.532 | S | S | . | . | trans | -113.9 | 127.8 | 176.6 | -53 | 173.6 | 0 | 0 | 0 | 106.4 | L760 N764 | L760-I762 HydrophobicContact CD2-CD1 4.06Å; L760-I762 HydrophobicContact CD2-CG1 3.98Å; I762-N764 WeakPolarHBondContact CG2-OD1 3.32Å | ||
| 763 | H | 27.7 | Very low | 30.5 | Very low | 152 Ų | 152 | 108.4 Ų | 108.4 | 70% | 0.704 | 54% | 0.542 | S | S | * | . | trans | -103.3 | 137.1 | 167.5 | -85.9 | -97.1 | 0 | 0 | 0 | 108.5 | ||||
| 764 | N | 27.4 | Very low | 30 | Very low | 143 Ų | 143 | 111.2 Ų | 111.2 | 77% | 0.765 | 55% | 0.553 | S | S | * | * | trans | -113.7 | 75.6 | -175.5 | -71.9 | 1 | 0 | 0 | 0 | 109.8 | I762 | I762-N764 WeakPolarHBondContact CG2-OD1 3.32Š| ||
| 765 | D | 25.2 | Very low | 29.2 | Very low | 131 Ų | 131 | 106.6 Ų | 106.6 | 70% | 0.701 | 54% | 0.537 | S | S | * | . | trans | -133.8 | 102.8 | 178.6 | -69.7 | -70.3 | 0 | 0 | 0 | 111.1 | S767 | D765-S767 PolarHBondContact O-N 3.49Š| ||
| 766 | L | 24.1 | Very low | 28.4 | Very low | 190 Ų | 190 | 102.3 Ų | 102.3 | 100% | 0.995 | 53% | 0.531 | S | S | * | . | S | Bend | trans | 26.3 | 63.8 | 157.4 | -67.1 | 164.6 | 0 | 0 | 0 | 118.2 | ||
| 767 | S | 23.8 | Very low | 28.1 | Very low | 68 Ų | 68 | 102.7 Ų | 102.7 | 48% | 0.476 | 53% | 0.533 | S | S | . | . | S | Bend | trans | -156.8 | 150.1 | 166.2 | 171.5 | 0 | 0 | 0 | 0 | 110.1 | D765 D769 | D765-S767 PolarHBondContact O-N 3.49Å; S767-D769 PolarHBondContact O-N 3.31Å; S767-D769 VanDerWaalsContact O-N 3.12Å; S767-D769 WeakPolarHBondContact OG-CB 3.33Å; S767-D769 PolarHBondContact OG-N 3.27Å |
| 768 | P | 26.1 | Very low | 27.7 | Very low | 113 Ų | 113 | 99.7 Ų | 99.7 | 73% | 0.734 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -65.6 | -4.9 | 170.6 | 28.4 | -35.7 | 0 | 0 | 0 | 114 | V770 | P768-V770 PolarHBondContact O-N 3.35Š|
| 769 | D | 24.2 | Very low | 27.4 | Very low | 48 Ų | 48 | 102.5 Ų | 102.5 | 26% | 0.257 | 57% | 0.567 | S | S | . | * | trans | -96.9 | 82.6 | -173 | -59.4 | -21.2 | 0 | 0 | 0 | 113.1 | S767 N771 R841 | S767-D769 PolarHBondContact O-N 3.31Å; S767-D769 VanDerWaalsContact O-N 3.12Å; S767-D769 WeakPolarHBondContact OG-CB 3.33Å; S767-D769 PolarHBondContact OG-N 3.27Å; D769-N771 PolarHBondContact O-N 3.02Å; D769-N771 PolarHBondContact O-ND2 2.81Å; D769-N771 VanDerWaalsContact O-ND2 3.12Å; D769-R841 WeakPolarHBondContact OD1-CD 3.5Å; D769-R841 IonicContact OD1-CZ 2.73Å; D769-R841 IonicContact OD1-NE 2.67Å; D769-R841 IonicContact OD1-NH1 2.69Å; D769-R841 PolarHBondContact OD1-NH1 3.01Å; D769-R841 IonicContact OD2-CZ 2.84Å; D769-R841 IonicContact OD2-NH1 3.52Å; D769-R841 PolarHBondContact OD2-NH1 3.4Å; D769-R841 IonicContact OD2-NH2 3.22Å | ||
| 770 | V | 26.9 | Very low | 27 | Very low | 102 Ų | 102 | 101.9 Ų | 101.9 | 62% | 0.618 | 58% | 0.579 | S | S | * | * | trans | -69 | 89.9 | 178.4 | -174.2 | 0 | 0 | 0 | 0 | 111.3 | P768 I772 | P768-V770 PolarHBondContact O-N 3.35Å; V770-I772 HydrophobicContact CG1-CG1 4.24Å; V770-I772 PolarHBondContact O-N 3.18Å | ||
| 771 | N | 24.9 | Very low | 26.9 | Very low | 132 Ų | 132 | 104.8 Ų | 104.8 | 71% | 0.706 | 60% | 0.599 | S | S | * | * | trans | -73.9 | 85.7 | -178.8 | -86.5 | -78 | 0 | 0 | 0 | 112.4 | D769 K773 | D769-N771 PolarHBondContact O-N 3.02Å; D769-N771 PolarHBondContact O-ND2 2.81Å; D769-N771 VanDerWaalsContact O-ND2 3.12Å; N771-K773 PolarHBondContact O-N 2.98Å | ||
| 772 | I | 26 | Very low | 26.5 | Very low | 71 Ų | 71 | 109.3 Ų | 109.3 | 36% | 0.364 | 63% | 0.628 | S | S | . | * | trans | -70.6 | 99.2 | 175.7 | -58.7 | 175.8 | 0 | 0 | 0 | 110.2 | L760 V770 F774 L845 | L760-I772 HydrophobicContact CD1-CG2 3.97Å; L760-I772 HydrophobicContact CG-CG2 4.26Å; V770-I772 HydrophobicContact CG1-CG1 4.24Å; V770-I772 PolarHBondContact O-N 3.18Å; I772-F774 HydrophobicContact CG2-CD2 4.26Å; I772-F774 HydrophobicContact CG2-CE2 3.78Å; I772-F774 HydrophobicContact CG2-CZ 4.34Å; I772-L845 HydrophobicContact CB-CD1 4.11Å; I772-L845 HydrophobicContact CD1-CD1 3.82Å; I772-L845 HydrophobicContact CG2-CD1 4.18Å | ||
| 773 | K | 28 | Very low | 26.3 | Very low | 140 Ų | 140 | 110.1 Ų | 110.1 | 61% | 0.609 | 64% | 0.637 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -90.4 | 117.1 | -178.2 | -136.3 | 169.4 | -172.4 | 170.1 | 0 | 111.2 | S761 N771 | S761-K773 PolarHBondContact N-O 3.16Å; S761-K773 PolarHBondContact O-N 3.3Å; S761-K773 PolarHBondContact OG-O 3.15Å; N771-K773 PolarHBondContact O-N 2.98Å |
| 774 | F | 26.9 | Very low | 26.3 | Very low | 81 Ų | 81 | 107.5 Ų | 107.5 | 36% | 0.355 | 64% | 0.636 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.3 | 103.1 | 173.2 | -75.4 | -91.8 | 0 | 0 | 0 | 110.6 | L753 C758 L760 I772 L845 | L753-F774 HydrophobicContact CD2-CE1 4.02Å; C758-F774 HydrophobicContact CB-CD1 4.4Å; L760-F774 HydrophobicContact CD1-CD1 4.45Å; L760-F774 HydrophobicContact CD1-CE1 3.87Å; L760-F774 HydrophobicContact CD1-CZ 3.96Å; I772-F774 HydrophobicContact CG2-CD2 4.26Å; I772-F774 HydrophobicContact CG2-CE2 3.78Å; I772-F774 HydrophobicContact CG2-CZ 4.34Å; F774-L845 HydrophobicContact CE2-CD1 4.04Å; F774-L845 HydrophobicContact CE2-CD2 4.1Å; F774-L845 HydrophobicContact CZ-CD2 4.12Å |
| 775 | N | 29.2 | Very low | 26.1 | Very low | 77 Ų | 77 | 109 Ų | 109 | 41% | 0.412 | 63% | 0.631 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.4 | 111.1 | 178.3 | -67.3 | -28.3 | 0 | 0 | 0 | 110.1 | K759 S761 | K759-N775 PolarHBondContact N-O 3.4Å; K759-N775 PolarHBondContact O-N 3.48Å; S761-N775 PolarHBondContact OG-ND2 3.19Å |
| 776 | C | 28.2 | Very low | 26.1 | Very low | 77 Ų | 77 | 106.8 Ų | 106.8 | 52% | 0.52 | 63% | 0.631 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.4 | 123.2 | 174.5 | -73.2 | 0 | 0 | 0 | 0 | 111.3 | C758 T778 | C758-C776 VanDerWaalsContact SG-SG 3.67Å; C776-T778 PolarHBondContact O-N 3.21Å |
| 777 | E | 28.1 | Very low | 26.3 | Very low | 113 Ų | 113 | 105.8 Ų | 105.8 | 53% | 0.528 | 62% | 0.621 | S | S | . | * | S | Bend | trans | -81.1 | 55.4 | 176.7 | -67 | 179.3 | 168.5 | 0 | 0 | 112.6 | R757 K759 | R757-E777 PolarHBondContact O-N 3.16Å; K759-E777 WeakPolarHBondContact CD-OE1 3.47Å; K759-E777 WeakPolarHBondContact CE-OE1 3.47Å; K759-E777 IonicContact NZ-OE1 3.53Å; K759-E777 PolarHBondContact NZ-OE1 3.36Å |
| 778 | T | 29 | Very low | 26.4 | Very low | 102 Ų | 102 | 108.2 Ų | 108.2 | 63% | 0.626 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -163.5 | 123.9 | 162.7 | 15.4 | 0 | 0 | 0 | 0 | 109.3 | C776 S780 | C776-T778 PolarHBondContact O-N 3.21Å; T778-S780 PolarHBondContact O-N 2.98Å |
| 779 | G | 25.2 | Very low | 26.4 | Very low | 87 Ų | 87 | 108.7 Ų | 108.7 | 90% | 0.897 | 62% | 0.62 | S | S | * | * | trans | -82.1 | 110.6 | -165.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 780 | S | 25.4 | Very low | 26.5 | Very low | 113 Ų | 113 | 114.1 Ų | 114.1 | 79% | 0.79 | 65% | 0.648 | S | S | * | * | trans | -165.5 | 106 | 147.5 | 56.7 | 0 | 0 | 0 | 0 | 109.4 | T778 | T778-S780 PolarHBondContact O-N 2.98Š| ||
| 781 | T | 27 | Very low | 26.4 | Very low | 126 Ų | 126 | 112.7 Ų | 112.7 | 77% | 0.773 | 64% | 0.642 | S | S | * | * | trans | -86.3 | 134.1 | -175.5 | 39.5 | 0 | 0 | 0 | 0 | 112.6 | V783 | T781-V783 PolarHBondContact O-N 3.29Š| ||
| 782 | P | 23.9 | Very low | 26.5 | Very low | 132 Ų | 132 | 114.9 Ų | 114.9 | 86% | 0.857 | 65% | 0.646 | S | S | * | * | trans | -88.2 | 99.5 | 165.6 | 33 | -28.3 | 0 | 0 | 0 | 109.5 | ||||
| 783 | V | 26.1 | Very low | 26.5 | Very low | 115 Ų | 115 | 117.9 Ų | 117.9 | 70% | 0.697 | 67% | 0.668 | S | S | * | * | trans | -117.5 | 148.6 | 173.1 | 176.4 | 0 | 0 | 0 | 0 | 109.3 | T781 | T781-V783 PolarHBondContact O-N 3.29Š| ||
| 784 | S | 26.5 | Very low | 26.2 | Very low | 96 Ų | 96 | 120.1 Ų | 120.1 | 67% | 0.671 | 68% | 0.678 | S | S | * | * | trans | -48.9 | 140.8 | 178.7 | 40.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 785 | R | 24.3 | Very low | 26.1 | Very low | 175 Ų | 175 | 122.3 Ų | 122.3 | 66% | 0.66 | 69% | 0.693 | S | S | * | * | trans | -154.8 | 30.8 | 170.8 | -145 | -177 | -178.3 | 103 | 10 | 115.3 | I789 | R785-I789 HydrophobicContact CG-CD1 4.37Å; R785-I789 HydrophobicContact CG-CG1 4.5Å | ||
| 786 | A | 24.6 | Very low | 26.1 | Very low | 85 Ų | 85 | 121.1 Ų | 121.1 | 70% | 0.702 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -91.3 | -31.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 787 | E | 27.4 | Very low | 25.9 | Very low | 168 Ų | 168 | 121.9 Ų | 121.9 | 79% | 0.785 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -100.5 | -3.2 | -174.1 | -65.7 | 163 | 139.3 | 0 | 0 | 113.3 | S791 | E787-S791 PolarHBondContact O-OG 3.22Š|
| 788 | E | 26.8 | Very low | 25.7 | Very low | 119 Ų | 119 | 122.5 Ų | 122.5 | 56% | 0.556 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -110.2 | 25.5 | -176.9 | -150.7 | -165.8 | -160.9 | 0 | 0 | 113.4 | ||
| 789 | I | 26.8 | Very low | 25.5 | Very low | 123 Ų | 123 | 121.9 Ų | 121.9 | 63% | 0.631 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -121.4 | -14.8 | 172.4 | -63.7 | 179.8 | 0 | 0 | 0 | 111.6 | R785 | R785-I789 HydrophobicContact CG-CD1 4.37Å; R785-I789 HydrophobicContact CG-CG1 4.5Å |
| 790 | L | 25.2 | Very low | 25.5 | Very low | 163 Ų | 163 | 120.9 Ų | 120.9 | 85% | 0.853 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -95.2 | 7.1 | 178 | -70.5 | 169.8 | 0 | 0 | 0 | 114 | ||
| 791 | S | 25 | Very low | 25.4 | Very low | 71 Ų | 71 | 118.8 Ų | 118.8 | 50% | 0.497 | 65% | 0.645 | S | S | . | * | S | Bend | trans | -143.5 | 32.5 | -164.6 | 56.9 | 0 | 0 | 0 | 0 | 116.1 | E787 | E787-S791 PolarHBondContact O-OG 3.22Š|
| 792 | K | 26 | Very low | 25.3 | Very low | 178 Ų | 178 | 117.1 Ų | 117.1 | 77% | 0.774 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -159.7 | 143.7 | 158 | -100.2 | 127.8 | -168.8 | 172.7 | 0 | 113.1 | ||
| 793 | T | 26.5 | Very low | 25.4 | Very low | 135 Ų | 135 | 121.2 Ų | 121.2 | 83% | 0.828 | 63% | 0.63 | S | S | * | * | trans | 53.4 | 71.2 | 167.1 | 57.2 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 794 | F | 22.6 | Very low | 25.3 | Very low | 186 Ų | 186 | 124.7 Ų | 124.7 | 82% | 0.816 | 64% | 0.636 | S | S | * | * | -74.2 | 166.8 | 128.9 | -120.8 | -95.3 | 0 | 0 | 0 | 109 | |||||
| 795 | N | 24.7 | Very low | 25.2 | Very low | 127 Ų | 127 | 126.5 Ų | 126.5 | 68% | 0.679 | 64% | 0.643 | S | S | * | * | trans | 77.9 | 155.8 | 167.1 | -52.7 | -16.7 | 0 | 0 | 0 | 116.6 | ||||
| 796 | P | 29.7 | Very low | 25.1 | Very low | 53 Ų | 53 | 128.8 Ų | 128.8 | 34% | 0.344 | 65% | 0.651 | S | S | . | * | -145.3 | 118.1 | -73 | 34.2 | -13.2 | 0 | 0 | 0 | 115.6 | E1128 | P796-E1128 WeakPolarHBondContact CA-OE1 3.44Å; P796-E1128 VanDerWaalsContact CA-OE2 3.27Å; P796-E1128 WeakPolarHBondContact CA-OE2 3.4Å; P796-E1128 HydrophobicContact CB-CB 3.83Å; P796-E1128 HydrophobicContact CB-CG 3.54Å; P796-E1128 VanDerWaalsContact CB-OE1 3.26Å; P796-E1128 WeakPolarHBondContact CB-OE1 3.46Å | |||
| 797 | T | 23 | Very low | 25.2 | Very low | 92 Ų | 92 | 132.5 Ų | 132.5 | 56% | 0.564 | 66% | 0.66 | S | S | * | * | trans | -173.4 | 143.2 | 163.8 | 23.1 | 0 | 0 | 0 | 0 | 117 | E1128 | T797-E1128 PolarHBondContact N-OE2 3.06Å; T797-E1128 VanDerWaalsContact N-OE2 3.11Å | ||
| 798 | E | 23.9 | Very low | 25 | Very low | 127 Ų | 127 | 131.7 Ų | 131.7 | 59% | 0.593 | 66% | 0.66 | S | S | * | * | trans | 56.6 | 122 | 142.4 | -61.9 | -177.4 | -160.8 | 0 | 0 | 124.9 | V1126 A1127 | E798-V1126 HydrophobicContact CB-CG2 4.32Å; E798-V1126 HydrophobicContact CG-CG2 3.97Å; E798-A1127 HydrophobicContact CG-CB 3.95Å | ||
| 799 | N | 24 | Very low | 24.8 | Very low | 88 Ų | 88 | 136.3 Ų | 136.3 | 47% | 0.471 | 68% | 0.678 | S | S | . | * | trans | 68.6 | 150.5 | 154.6 | -77.3 | -73.6 | 0 | 0 | 0 | 122.8 | S1125 | N799-S1125 VanDerWaalsContact CA-O 3.31Å; N799-S1125 WeakPolarHBondContact CA-O 3.34Å; N799-S1125 WeakPolarHBondContact CA-OG 3.45Å; N799-S1125 PolarHBondContact O-OG 3.12Å; N799-S1125 PolarHBondContact OD1-O 3.46Å | ||
| 800 | D | 26.5 | Very low | 24.7 | Very low | 67 Ų | 67 | 136.7 Ų | 136.7 | 36% | 0.358 | 69% | 0.687 | S | S | . | * | trans | 70.6 | 130.8 | -175.2 | -85.7 | 50.1 | 0 | 0 | 0 | 119.9 | Q1123 C1124 S1125 | D800-Q1123 PolarHBondContact OD2-NE2 3.15Å; D800-C1124 PolarHBondContact OD1-SG 3Å; D800-S1125 PolarHBondContact N-OG 3.2Å; D800-S1125 VanDerWaalsContact N-OG 3.11Å; D800-S1125 VanDerWaalsContact O-CB 3.3Å; D800-S1125 WeakPolarHBondContact O-CB 3.31Å; D800-S1125 PolarHBondContact O-OG 3.23Å | ||
| 801 | P | 23.6 | Very low | 24.5 | Very low | 68 Ų | 68 | 140.2 Ų | 140.2 | 44% | 0.442 | 69% | 0.689 | S | S | . | * | S | Bend | trans | -121.3 | 9.4 | -170.6 | 38.5 | -16.8 | 0 | 0 | 0 | 113.1 | Q1123 | P801-Q1123 HydrophobicContact CG-CG 4.31Š|
| 802 | N | 25.1 | Very low | 24.6 | Very low | 92 Ų | 92 | 142.1 Ų | 142.1 | 49% | 0.492 | 70% | 0.702 | S | S | . | * | trans | -133.3 | 4.2 | -161.2 | -93.6 | -59.2 | 0 | 0 | 0 | 112.3 | K804 Q1123 | N802-K804 PolarHBondContact O-N 3.05Å; N802-Q1123 HydrophobicContact CB-CG 4.02Å | ||
| 803 | R | 24.7 | Very low | 24.5 | Very low | 217 Ų | 217 | 143.8 Ų | 143.8 | 82% | 0.819 | 70% | 0.703 | S | S | * | * | trans | -89.5 | 74.8 | -171.1 | -151.8 | 171 | -165.7 | -179.6 | 4.8 | 112 | V805 | R803-V805 PolarHBondContact O-N 3.3Š| ||
| 804 | K | 24.4 | Very low | 24.6 | Very low | 188 Ų | 188 | 143.8 Ų | 143.8 | 82% | 0.817 | 70% | 0.698 | S | S | * | * | trans | -49.9 | 105.2 | 176.9 | -65.6 | 174.3 | -178.9 | 172 | 0 | 111.8 | N802 R806 | N802-K804 PolarHBondContact O-N 3.05Å; K804-R806 PolarHBondContact O-N 3.38Å | ||
| 805 | V | 24.7 | Very low | 24.8 | Very low | 135 Ų | 135 | 138.8 Ų | 138.8 | 82% | 0.818 | 68% | 0.683 | S | S | * | * | trans | -64.3 | 131.5 | 175.4 | 179.8 | 0 | 0 | 0 | 0 | 109.3 | R803 | R803-V805 PolarHBondContact O-N 3.3Š| ||
| 806 | R | 23 | Very low | 24.9 | Very low | 222 Ų | 222 | 142.3 Ų | 142.3 | 84% | 0.838 | 69% | 0.692 | S | S | * | * | trans | -89.2 | 111.7 | -172 | -71 | 174.6 | 171.2 | 155.4 | -3.7 | 110.9 | K804 L808 | K804-R806 PolarHBondContact O-N 3.38Å; R806-L808 VanDerWaalsContact C-N 3.35Å; R806-L808 PolarHBondContact O-N 3.5Å | ||
| 807 | N | 25.4 | Very low | 24.8 | Very low | 164 Ų | 164 | 144 Ų | 144 | 88% | 0.877 | 70% | 0.703 | S | S | * | * | trans | -66.7 | 90.1 | 170.5 | -78.4 | -9.8 | 0 | 0 | 0 | 111.6 | F809 | N807-F809 PolarHBondContact O-N 3.16Š| ||
| 808 | L | 22.4 | Very low | 25 | Very low | 151 Ų | 151 | 142.7 Ų | 142.7 | 79% | 0.791 | 69% | 0.692 | S | S | * | * | trans | -72.4 | 95.3 | 169.5 | -75.9 | 163 | 0 | 0 | 0 | 110.4 | R806 | R806-L808 VanDerWaalsContact C-N 3.35Å; R806-L808 PolarHBondContact O-N 3.5Å | ||
| 809 | F | 24.4 | Very low | 25.1 | Very low | 215 Ų | 215 | 143.5 Ų | 143.5 | 94% | 0.943 | 69% | 0.691 | S | S | * | * | trans | -164.1 | 87.1 | 150.4 | -91.2 | -56 | 0 | 0 | 0 | 111.8 | N807 | N807-F809 PolarHBondContact O-N 3.16Š| ||
| 810 | T | 24 | Very low | 25.3 | Very low | 132 Ų | 132 | 144.4 Ų | 144.4 | 81% | 0.81 | 70% | 0.699 | S | S | * | * | trans | -120.2 | 113.2 | 174.5 | 55.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 811 | R | 21.9 | Very low | 25.2 | Very low | 237 Ų | 237 | 151.5 Ų | 151.5 | 89% | 0.894 | 72% | 0.721 | S | S | * | * | trans | 55.5 | 97.7 | 159.1 | -65.3 | 177.9 | 169.5 | 169.3 | -1.6 | 118 | ||||
| 812 | S | 25.6 | Very low | 25.3 | Very low | 111 Ų | 111 | 154.9 Ų | 154.9 | 78% | 0.776 | 74% | 0.735 | S | S | * | * | trans | -99.8 | 156.5 | 136.9 | 60.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 813 | R | 25.3 | Very low | 25.3 | Very low | 212 Ų | 212 | 154.6 Ų | 154.6 | 80% | 0.8 | 75% | 0.745 | S | S | * | * | trans | -101.2 | 103.1 | 179.3 | -72.7 | 178.9 | 175.3 | -178 | -2.5 | 110 | ||||
| 814 | L | 27.1 | Very low | 25.3 | Very low | 136 Ų | 136 | 147.7 Ų | 147.7 | 71% | 0.712 | 74% | 0.735 | S | S | * | * | trans | -70.3 | 150.1 | 164.7 | -69.3 | 172.4 | 0 | 0 | 0 | 110.5 | D818 | L814-D818 HydrophobicContact CB-CB 4.49Å; L814-D818 HydrophobicContact CD2-CB 4.2Å | ||
| 815 | T | 27.4 | Very low | 25.2 | Very low | 81 Ų | 81 | 144.3 Ų | 144.3 | 50% | 0.497 | 73% | 0.729 | S | S | . | * | trans | -112.3 | 166.1 | -172.5 | 62.4 | 0 | 0 | 0 | 0 | 111.7 | P817 D818 | T815-P817 VanDerWaalsContact C-N 3.31Å; T815-P817 VanDerWaalsContact O-N 3.17Å; T815-P817 WeakPolarHBondContact OG1-CD 3.36Å; T815-D818 WeakPolarHBondContact CA-OD2 3.31Å; T815-D818 PolarHBondContact N-OD2 2.81Å; T815-D818 PolarHBondContact O-N 3.32Å; T815-D818 PolarHBondContact OG1-OD2 2.95Å | ||
| 816 | K | 26.9 | Very low | 25.3 | Very low | 201 Ų | 201 | 143.3 Ų | 143.3 | 87% | 0.874 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.8 | -33.8 | -175.1 | -112.4 | -169.1 | 174.3 | -165.3 | 0 | 115.7 | D818 | K816-D818 VanDerWaalsContact C-N 3.35Š|
| 817 | P | 27.2 | Very low | 25.4 | Very low | 88 Ų | 88 | 137.9 Ų | 137.9 | 57% | 0.571 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | -29.6 | 175.7 | -23.2 | 35.3 | 0 | 0 | 0 | 114.7 | T815 Y819 V820 | T815-P817 VanDerWaalsContact C-N 3.31Å; T815-P817 VanDerWaalsContact O-N 3.17Å; T815-P817 WeakPolarHBondContact OG1-CD 3.36Å; P817-Y819 VanDerWaalsContact C-N 3.29Å; P817-Y819 PolarHBondContact O-N 2.91Å; P817-V820 PolarHBondContact O-N 3.35Å |
| 818 | D | 28.1 | Very low | 25.4 | Very low | 65 Ų | 65 | 137.5 Ų | 137.5 | 35% | 0.348 | 71% | 0.71 | S | S | . | * | G | 310 helix | trans | -71.6 | -27.7 | -166.6 | -53.5 | -47.3 | 0 | 0 | 0 | 112.1 | L814 T815 K816 V820 | L814-D818 HydrophobicContact CB-CB 4.49Å; L814-D818 HydrophobicContact CD2-CB 4.2Å; T815-D818 WeakPolarHBondContact CA-OD2 3.31Å; T815-D818 PolarHBondContact N-OD2 2.81Å; T815-D818 PolarHBondContact O-N 3.32Å; T815-D818 PolarHBondContact OG1-OD2 2.95Å; K816-D818 VanDerWaalsContact C-N 3.35Å; D818-V820 VanDerWaalsContact C-N 3.26Å; D818-V820 PolarHBondContact O-N 3.31Å |
| 819 | Y | 26.6 | Very low | 25.6 | Very low | 143 Ų | 143 | 134.2 Ų | 134.2 | 56% | 0.561 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -66.5 | -23.5 | 176 | -119.5 | -95.5 | 0 | 0 | 0 | 113.9 | P817 R821 S939 | P817-Y819 VanDerWaalsContact C-N 3.29Å; P817-Y819 PolarHBondContact O-N 2.91Å; Y819-R821 VanDerWaalsContact C-N 3.34Å; Y819-S939 WeakPolarHBondContact OH-CB 3.32Å |
| 820 | V | 28.2 | Very low | 25.6 | Very low | 107 Ų | 107 | 128.6 Ų | 128.6 | 65% | 0.648 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -78.3 | -21.2 | -173.7 | -175.2 | 0 | 0 | 0 | 0 | 111.8 | P817 D818 | P817-V820 PolarHBondContact O-N 3.35Å; D818-V820 VanDerWaalsContact C-N 3.26Å; D818-V820 PolarHBondContact O-N 3.31Å |
| 821 | R | 24.4 | Very low | 25.7 | Very low | 217 Ų | 217 | 126.2 Ų | 126.2 | 82% | 0.819 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -90.7 | -17.3 | -175.5 | -73.7 | -178.9 | 167.3 | -179.2 | -6.8 | 115.2 | Y819 | Y819-R821 VanDerWaalsContact C-N 3.34Š|
| 822 | L | 25.1 | Very low | 25.9 | Very low | 139 Ų | 139 | 120.3 Ų | 120.3 | 73% | 0.728 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -93.8 | -7.6 | -179.6 | -70.7 | 169.3 | 0 | 0 | 0 | 113.8 | ||
| 823 | A | 24.8 | Very low | 25.8 | Very low | 85 Ų | 85 | 124.3 Ų | 124.3 | 70% | 0.702 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -97.6 | 5.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 824 | A | 24.3 | Very low | 25.9 | Very low | 73 Ų | 73 | 119.6 Ų | 119.6 | 60% | 0.603 | 67% | 0.666 | S | S | * | * | trans | -126.1 | 29.5 | -163.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | P826 | A824-P826 WeakPolarHBondContact O-CD 3.46Š| ||
| 825 | V | 23.6 | Very low | 25.8 | Very low | 116 Ų | 116 | 117.2 Ų | 117.2 | 70% | 0.703 | 65% | 0.654 | S | S | * | * | trans | -101 | 106.8 | 174 | -178.9 | 0 | 0 | 0 | 0 | 109.5 | L827 | V825-L827 PolarHBondContact O-N 3.39Š| ||
| 826 | P | 25.1 | Very low | 25.7 | Very low | 114 Ų | 114 | 118.7 Ų | 118.7 | 74% | 0.74 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 125 | 175.8 | 30 | -33 | 0 | 0 | 0 | 110.2 | A824 L828 | A824-P826 WeakPolarHBondContact O-CD 3.46Å; P826-L828 PolarHBondContact O-N 2.97Å |
| 827 | L | 26.4 | Very low | 25.6 | Very low | 108 Ų | 108 | 115.9 Ų | 115.9 | 57% | 0.565 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -76 | 120.2 | 174.8 | -66.1 | 169.5 | 0 | 0 | 0 | 109.8 | V825 R991 | V825-L827 PolarHBondContact O-N 3.39Å; L827-R991 VanDerWaalsContact C-NH2 3.25Å; L827-R991 VanDerWaalsContact CB-NH2 3.33Å; L827-R991 VanDerWaalsContact O-CZ 3.28Å; L827-R991 PolarHBondContact O-NH1 3.04Å; L827-R991 PolarHBondContact O-NH2 3.23Å |
| 828 | L | 25.6 | Very low | 25.5 | Very low | 157 Ų | 157 | 118.3 Ų | 118.3 | 82% | 0.822 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 137.4 | 171.9 | -74 | 166.9 | 0 | 0 | 0 | 111.9 | P826 R991 | P826-L828 PolarHBondContact O-N 2.97Å; L828-R991 PolarHBondContact O-NH2 3.28Å |
| 829 | P | 26 | Very low | 25.4 | Very low | 82 Ų | 82 | 120.9 Ų | 120.9 | 53% | 0.532 | 69% | 0.686 | S | S | . | * | P | Polyproline II helix | trans | -55.7 | 145.3 | 177.8 | -25.5 | 35.2 | 0 | 0 | 0 | 113.4 | ||
| 830 | E | 25 | Very low | 25.3 | Very low | 97 Ų | 97 | 119 Ų | 119 | 45% | 0.453 | 69% | 0.693 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.6 | 131.2 | 174.6 | -70 | 159.4 | -165.2 | 0 | 0 | 109 | ||
| 831 | G | 25.8 | Very low | 25.1 | Very low | 81 Ų | 81 | 122.9 Ų | 122.9 | 84% | 0.835 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 116.5 | 7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||
| 832 | V | 25.9 | Very low | 25.1 | Very low | 113 Ų | 113 | 121.2 Ų | 121.2 | 69% | 0.685 | 70% | 0.695 | S | S | * | * | trans | -97 | 104.9 | 169 | -177.3 | 0 | 0 | 0 | 0 | 109.6 | V834 | V832-V834 HydrophobicContact CG1-CG2 4.1Å; V832-V834 PolarHBondContact O-N 3.44Å | ||
| 833 | E | 23.2 | Very low | 25.1 | Very low | 196 Ų | 196 | 121.7 Ų | 121.7 | 92% | 0.916 | 70% | 0.698 | S | S | * | * | trans | -73.8 | 103.1 | 171.4 | -69.3 | 178.2 | 175.8 | 0 | 0 | 109.9 | ||||
| 834 | V | 26.6 | Very low | 25 | Very low | 112 Ų | 112 | 125.8 Ų | 125.8 | 68% | 0.679 | 71% | 0.708 | S | S | * | * | trans | -89.6 | 108.1 | 170.5 | -177 | 0 | 0 | 0 | 0 | 108.2 | V832 | V832-V834 HydrophobicContact CG1-CG2 4.1Å; V832-V834 PolarHBondContact O-N 3.44Å | ||
| 835 | N | 24.9 | Very low | 25 | Very low | 86 Ų | 86 | 127.6 Ų | 127.6 | 46% | 0.46 | 71% | 0.706 | S | S | . | * | trans | -51.2 | 122.4 | 178.1 | 178.5 | -16.6 | 0 | 0 | 0 | 110.8 | N837 L838 | N835-N837 PolarHBondContact O-N 3.13Å; N835-N837 PolarHBondContact OD1-N 3.16Å; N835-N837 VanDerWaalsContact OD1-N 3.13Å; N835-L838 HydrophobicContact CB-CD1 4.28Å; N835-L838 PolarHBondContact O-N 2.92Å | ||
| 836 | P | 25.5 | Very low | 25 | Very low | 113 Ų | 113 | 127.2 Ų | 127.2 | 73% | 0.734 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | -13.4 | -171.8 | 26.1 | -35.3 | 0 | 0 | 0 | 114.4 | ||
| 837 | N | 26 | Very low | 24.9 | Very low | 142 Ų | 142 | 127.8 Ų | 127.8 | 76% | 0.759 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | 14.9 | -174.1 | -64.5 | -19.7 | 0 | 0 | 0 | 114.6 | N835 | N835-N837 PolarHBondContact O-N 3.13Å; N835-N837 PolarHBondContact OD1-N 3.16Å; N835-N837 VanDerWaalsContact OD1-N 3.13Å |
| 838 | L | 24.9 | Very low | 24.7 | Very low | 138 Ų | 138 | 126.3 Ų | 126.3 | 72% | 0.723 | 70% | 0.704 | S | S | * | * | trans | -121 | 19.4 | -172.4 | -79.6 | 174.3 | 0 | 0 | 0 | 116.2 | N835 | N835-L838 HydrophobicContact CB-CD1 4.28Å; N835-L838 PolarHBondContact O-N 2.92Å | ||
| 839 | V | 26 | Very low | 24.6 | Very low | 120 Ų | 120 | 123.8 Ų | 123.8 | 73% | 0.727 | 70% | 0.696 | S | S | * | * | trans | -116.1 | 97.1 | 178.4 | -174.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 840 | S | 24.7 | Very low | 24.8 | Very low | 104 Ų | 104 | 124.5 Ų | 124.5 | 73% | 0.727 | 70% | 0.7 | S | S | * | * | trans | -84.3 | 143.4 | 171.5 | 65.3 | 0 | 0 | 0 | 0 | 111.7 | K842 | S840-K842 PolarHBondContact O-N 3.37Š| ||
| 841 | R | 23.1 | Very low | 24.6 | Very low | 188 Ų | 188 | 125.2 Ų | 125.2 | 71% | 0.709 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | 66.3 | -162.9 | -71.6 | 164.6 | 158.2 | 152.5 | -13.2 | 114.3 | D769 | D769-R841 WeakPolarHBondContact OD1-CD 3.5Å; D769-R841 IonicContact OD1-CZ 2.73Å; D769-R841 IonicContact OD1-NE 2.67Å; D769-R841 IonicContact OD1-NH1 2.69Å; D769-R841 PolarHBondContact OD1-NH1 3.01Å; D769-R841 IonicContact OD2-CZ 2.84Å; D769-R841 IonicContact OD2-NH1 3.52Å; D769-R841 PolarHBondContact OD2-NH1 3.4Å; D769-R841 IonicContact OD2-NH2 3.22Å |
| 842 | K | 25.1 | Very low | 24.3 | Very low | 181 Ų | 181 | 125.2 Ų | 125.2 | 79% | 0.787 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.2 | -24.4 | 178 | -80.4 | -176.8 | 175.3 | 172.9 | 0 | 118.7 | S840 L844 | S840-K842 PolarHBondContact O-N 3.37Å; K842-L844 PolarHBondContact O-N 3.3Å |
| 843 | D | 24.9 | Very low | 24.1 | Very low | 149 Ų | 149 | 124.8 Ų | 124.8 | 80% | 0.797 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -93.9 | 12.7 | -169.2 | -62.6 | -38.4 | 0 | 0 | 0 | 116.4 | L845 | D843-L845 PolarHBondContact O-N 2.9Š|
| 844 | L | 23.1 | Very low | 24 | Very low | 172 Ų | 172 | 118 Ų | 118 | 90% | 0.901 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -99.5 | 49.8 | -175.6 | -78.7 | 170 | 0 | 0 | 0 | 114.5 | K842 | K842-L844 PolarHBondContact O-N 3.3Š|
| 845 | L | 23.2 | Very low | 23.8 | Very low | 111 Ų | 111 | 115.8 Ų | 115.8 | 58% | 0.581 | 64% | 0.641 | S | S | * | * | trans | -166.6 | 50.8 | 166.6 | -112 | 162.7 | 0 | 0 | 0 | 117.1 | I772 F774 D843 | I772-L845 HydrophobicContact CB-CD1 4.11Å; I772-L845 HydrophobicContact CD1-CD1 3.82Å; I772-L845 HydrophobicContact CG2-CD1 4.18Å; F774-L845 HydrophobicContact CE2-CD1 4.04Å; F774-L845 HydrophobicContact CE2-CD2 4.1Å; F774-L845 HydrophobicContact CZ-CD2 4.12Å; D843-L845 PolarHBondContact O-N 2.9Å | ||
| 846 | S | 23.9 | Very low | 23.8 | Very low | 107 Ų | 107 | 120.6 Ų | 120.6 | 75% | 0.748 | 66% | 0.658 | S | S | * | * | trans | -123.4 | 34.1 | -175.5 | 56.2 | 0 | 0 | 0 | 0 | 116.7 | Q848 | S846-Q848 PolarHBondContact O-N 2.92Š| ||
| 847 | C | 23.4 | Very low | 23.7 | Very low | 127 Ų | 127 | 120.3 Ų | 120.3 | 86% | 0.858 | 65% | 0.651 | S | S | * | * | trans | -75.4 | 75.2 | 176.9 | -78.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 848 | Q | 22.2 | Very low | 23.6 | Very low | 76 Ų | 76 | 117.4 Ų | 117.4 | 36% | 0.355 | 64% | 0.641 | S | S | . | * | trans | -164.1 | 137 | 160.3 | -123.1 | 145.7 | 110.7 | 0 | 0 | 115.6 | S846 | S846-Q848 PolarHBondContact O-N 2.92Š| ||
| 849 | T | 22.5 | Very low | 23.8 | Very low | 105 Ų | 105 | 115.9 Ų | 115.9 | 64% | 0.644 | 64% | 0.64 | S | S | * | * | trans | 68 | 154.1 | 167 | 22.2 | 0 | 0 | 0 | 0 | 117.6 | Y562 | Y562-T849 HydrophobicContact CD1-CG2 3.82Å; Y562-T849 HydrophobicContact CE1-CG2 3.65Å | ||
| 850 | P | 30.9 | Very low | 23.6 | Very low | 96 Ų | 96 | 121.3 Ų | 121.3 | 62% | 0.623 | 65% | 0.647 | S | S | * | * | trans | -92.3 | 172.3 | -176.6 | 39.2 | -36.1 | 0 | 0 | 0 | 112.8 | ||||
| 851 | L | 21 | Very low | 23.5 | Very low | 112 Ų | 112 | 122.6 Ų | 122.6 | 59% | 0.586 | 65% | 0.645 | S | S | * | * | trans | 163.1 | 118.2 | 154 | -88.6 | 160.8 | 0 | 0 | 0 | 107.2 | E564 | E564-L851 WeakPolarHBondContact OE2-CD2 3.2Š| ||
| 852 | T | 19.6 | Very low | 23.9 | Very low | 81 Ų | 81 | 119.1 Ų | 119.1 | 50% | 0.497 | 65% | 0.646 | S | S | . | * | 68.3 | 133.2 | 89.5 | 60.6 | 0 | 0 | 0 | 0 | 117.7 | L569 | L569-T852 HydrophobicContact CD1-CG2 4.24Å; L569-T852 HydrophobicContact CD2-CG2 4.25Å | |||
| 853 | Y | 21.7 | Very low | 23.7 | Very low | 104 Ų | 104 | 118.3 Ų | 118.3 | 41% | 0.408 | 65% | 0.649 | S | S | . | * | trans | 72.8 | 94.4 | 142.4 | -87.3 | -109.3 | 0 | 0 | 0 | 120.5 | E365 L569 | E365-Y853 VanDerWaalsContact OE1-CA 3.31Å; E365-Y853 WeakPolarHBondContact OE1-CA 3.4Å; E365-Y853 PolarHBondContact OE1-N 3.37Å; E365-Y853 WeakPolarHBondContact OE2-CA 3.09Å; E365-Y853 PolarHBondContact OE2-N 3.47Å; E365-Y853 VanDerWaalsContact OE2-N 3.16Å; L569-Y853 HydrophobicContact CD2-CE2 4.36Å | ||
| 854 | S | 21.2 | Very low | 23.5 | Very low | 54 Ų | 54 | 117 Ų | 117 | 38% | 0.378 | 65% | 0.646 | S | S | . | * | 75.8 | 165.6 | 112.4 | 76.8 | 0 | 0 | 0 | 0 | 120.7 | E365 | E365-S854 PolarHBondContact OE1-N 3.49Š| |||
| 855 | S | 21.8 | Very low | 23.4 | Very low | 66 Ų | 66 | 113.4 Ų | 113.4 | 46% | 0.462 | 64% | 0.636 | S | S | . | * | trans | 56 | 102.3 | 170 | 61.9 | 0 | 0 | 0 | 0 | 118.2 | G363 | G363-S855 WeakPolarHBondContact O-CA 3.42Å; G363-S855 PolarHBondContact O-N 2.96Å; G363-S855 VanDerWaalsContact O-N 3.1Å | ||
| 856 | F | 25.2 | Very low | 23.3 | Very low | 186 Ų | 186 | 115.3 Ų | 115.3 | 82% | 0.816 | 65% | 0.645 | S | S | * | * | trans | -165.1 | 80.5 | 130 | -101.1 | -66.8 | 0 | 0 | 0 | 109.9 | ||||
| 857 | N | 24.1 | Very low | 23.2 | Very low | 108 Ų | 108 | 114.1 Ų | 114.1 | 58% | 0.578 | 64% | 0.637 | S | S | * | * | 39 | 108.8 | 126.5 | -57.2 | -0.6 | 0 | 0 | 0 | 117.7 | |||||
| 858 | S | 22.7 | Very low | 23.1 | Very low | 80 Ų | 80 | 114 Ų | 114 | 56% | 0.559 | 63% | 0.628 | S | S | * | * | 93.9 | 153.1 | 64.9 | 70.6 | 0 | 0 | 0 | 0 | 115 | Q362 | Q362-S858 VanDerWaalsContact OE1-N 3.07Š| |||
| 859 | P | 28.9 | Very low | 23.2 | Very low | 106 Ų | 106 | 118.6 Ų | 118.6 | 69% | 0.688 | 65% | 0.649 | S | S | * | * | trans | -123.2 | 168.9 | -146.1 | 43.4 | -33.3 | 0 | 0 | 0 | 118.6 | ||||
| 860 | R | 22.7 | Very low | 23.2 | Very low | 234 Ų | 234 | 117.8 Ų | 117.8 | 88% | 0.883 | 65% | 0.648 | S | S | * | * | trans | 68.9 | 152.8 | 172.1 | -61.7 | -179.5 | 179.5 | 179 | 0 | 113.4 | ||||
| 861 | I | 21.5 | Very low | 22.9 | Very low | 132 Ų | 132 | 120 Ų | 120 | 68% | 0.677 | 66% | 0.655 | S | S | * | * | cis | -148.3 | 149.5 | 49.9 | -74.2 | 158.2 | 0 | 0 | 0 | 110.4 | ||||
| 862 | P | 32.6 | Very low | 23 | Very low | 114 Ų | 114 | 119.7 Ų | 119.7 | 74% | 0.74 | 66% | 0.662 | S | S | * | * | trans | -87.6 | 152 | 172.5 | 35.7 | -35.2 | 0 | 0 | 0 | 113.3 | ||||
| 863 | I | 20.9 | Very low | 23.1 | Very low | 165 Ų | 165 | 119.3 Ų | 119.3 | 85% | 0.846 | 67% | 0.666 | S | S | * | * | trans | -147.7 | 155.2 | 152.4 | -104.5 | 153.4 | 0 | 0 | 0 | 109.1 | ||||
| 864 | T | 21.2 | Very low | 23.1 | Very low | 121 Ų | 121 | 122.3 Ų | 122.3 | 74% | 0.742 | 69% | 0.688 | S | S | * | * | trans | -80.4 | 169.3 | -167.6 | 48 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 865 | S | 20 | Very low | 23 | Very low | 97 Ų | 97 | 123.4 Ų | 123.4 | 68% | 0.678 | 70% | 0.7 | S | S | * | * | trans | 101.8 | 151.3 | 138.7 | 80.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 866 | L | 21.2 | Very low | 22.9 | Very low | 150 Ų | 150 | 125 Ų | 125 | 79% | 0.785 | 71% | 0.711 | S | S | * | * | trans | 66.9 | 103 | 168.6 | -58 | 163.5 | 0 | 0 | 0 | 114 | ||||
| 867 | S | 21 | Very low | 22.7 | Very low | 83 Ų | 83 | 124.8 Ų | 124.8 | 58% | 0.58 | 71% | 0.713 | S | S | * | * | 66.9 | 138.3 | 67.5 | 79.5 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 868 | N | 22.3 | Very low | 22.5 | Very low | 125 Ų | 125 | 128.1 Ų | 128.1 | 67% | 0.668 | 73% | 0.725 | S | S | * | * | cis | -162.9 | 177.5 | -5.5 | -101.9 | -6.4 | 0 | 0 | 0 | 105.8 | ||||
| 869 | H | 23.7 | Very low | 22.4 | Very low | 172 Ų | 172 | 132.5 Ų | 132.5 | 80% | 0.796 | 74% | 0.738 | S | S | * | * | trans | 69.4 | 156.9 | 162.8 | -48.6 | -58.5 | 0 | 0 | 0 | 113.9 | ||||
| 870 | S | 23.4 | Very low | 22 | Very low | 88 Ų | 88 | 132 Ų | 132 | 62% | 0.615 | 74% | 0.737 | S | S | * | * | cis | -159.8 | 150.9 | -7.1 | 22.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 871 | N | 23.5 | Very low | 21.9 | Very low | 143 Ų | 143 | 127 Ų | 127 | 77% | 0.765 | 73% | 0.733 | S | S | * | * | trans | 65.2 | 125.8 | 148.5 | -58.6 | -1.8 | 0 | 0 | 0 | 116.1 | ||||
| 872 | S | 23.1 | Very low | 21.9 | Very low | 105 Ų | 105 | 124.5 Ų | 124.5 | 73% | 0.734 | 73% | 0.727 | S | S | * | * | 64.7 | 147.8 | 55.5 | 91.5 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 873 | A | 22.1 | Very low | 21.4 | Very low | 72 Ų | 72 | 125.6 Ų | 125.6 | 60% | 0.595 | 73% | 0.727 | S | S | * | * | cis | -156.9 | -171.7 | 10.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 874 | I | 21.3 | Very low | 21.4 | Very low | 168 Ų | 168 | 124.3 Ų | 124.3 | 86% | 0.862 | 72% | 0.721 | S | S | * | * | trans | 71.1 | 142.2 | 149.8 | -69.1 | 158.8 | 0 | 0 | 0 | 116.5 | ||||
| 875 | A | 20.7 | Very low | 21.5 | Very low | 77 Ų | 77 | 122.3 Ų | 122.3 | 64% | 0.636 | 71% | 0.712 | S | S | * | * | cis | -164.4 | -173.9 | -27 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 876 | S | 19.7 | Very low | 21.6 | Very low | 98 Ų | 98 | 124.6 Ų | 124.6 | 69% | 0.685 | 71% | 0.712 | S | S | * | * | trans | -22.6 | 149.4 | 150 | 57.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 877 | Q | 21 | Very low | 21.7 | Very low | 183 Ų | 183 | 124.3 Ų | 124.3 | 86% | 0.855 | 70% | 0.704 | S | S | * | * | -149.7 | 173.3 | 59.5 | -84.7 | 177.9 | -34.7 | 0 | 0 | 115.6 | |||||
| 878 | E | 19.8 | Very low | 21.8 | Very low | 177 Ų | 177 | 127 Ų | 127 | 83% | 0.827 | 71% | 0.711 | S | S | * | * | trans | -87.1 | -159 | -174.5 | -52.2 | 167.4 | 112.3 | 0 | 0 | 112.3 | ||||
| 879 | M | 20.3 | Very low | 21.8 | Very low | 172 Ų | 172 | 129.4 Ų | 129.4 | 85% | 0.847 | 72% | 0.715 | S | S | * | * | trans | 80 | 142.1 | 174.2 | -53 | -167.3 | -63.2 | 0 | 0 | 116.7 | ||||
| 880 | S | 20.4 | Very low | 21.8 | Very low | 95 Ų | 95 | 127.1 Ų | 127.1 | 66% | 0.664 | 71% | 0.709 | S | S | * | * | cis | -178.3 | 173.1 | -35.1 | 49.3 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 881 | V | 21.2 | Very low | 21.7 | Very low | 130 Ų | 130 | 126.3 Ų | 126.3 | 79% | 0.788 | 71% | 0.707 | S | S | * | * | trans | 28.5 | 110.6 | 138 | 173.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 882 | S | 21 | Very low | 21.7 | Very low | 79 Ų | 79 | 129.3 Ų | 129.3 | 55% | 0.552 | 71% | 0.714 | S | S | * | * | cis | 167.7 | -173.9 | 29.7 | 50 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 883 | N | 22.1 | Very low | 21.9 | Very low | 137 Ų | 137 | 129.4 Ų | 129.4 | 73% | 0.733 | 72% | 0.715 | S | S | * | * | trans | 65.9 | 168 | 146.6 | -68.8 | -13.7 | 0 | 0 | 0 | 116.9 | ||||
| 884 | L | 20.7 | Very low | 22.3 | Very low | 139 Ų | 139 | 130.7 Ų | 130.7 | 73% | 0.728 | 72% | 0.717 | S | S | * | * | cis | -134.8 | 159.3 | -28.9 | -115.7 | 159.2 | 0 | 0 | 0 | 108.5 | ||||
| 885 | S | 23.4 | Very low | 22.4 | Very low | 79 Ų | 79 | 133.7 Ų | 133.7 | 55% | 0.552 | 72% | 0.717 | S | S | * | * | trans | -31.3 | -179.7 | 166.3 | 58.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 886 | E | 22.1 | Very low | 22.5 | Very low | 144 Ų | 144 | 134.7 Ų | 134.7 | 67% | 0.673 | 72% | 0.72 | S | S | * | * | trans | 78.4 | 152.5 | 159.3 | -66.2 | -171.1 | 144 | 0 | 0 | 115.3 | ||||
| 887 | K | 23.1 | Very low | 22.6 | Very low | 145 Ų | 145 | 136.1 Ų | 136.1 | 63% | 0.63 | 72% | 0.72 | S | S | * | * | cis | -158.2 | 172 | 2.8 | -128 | 159.3 | -171.7 | 146.4 | 0 | 109.2 | ||||
| 888 | I | 23.4 | Very low | 22.8 | Very low | 139 Ų | 139 | 136.1 Ų | 136.1 | 71% | 0.713 | 72% | 0.717 | S | S | * | * | trans | 69.3 | 129.5 | 148.5 | -70.6 | 162.5 | 0 | 0 | 0 | 116.9 | ||||
| 889 | F | 21.6 | Very low | 23 | Very low | 176 Ų | 176 | 132.7 Ų | 132.7 | 77% | 0.772 | 71% | 0.713 | S | S | * | * | cis | -162 | -179.7 | -11.6 | -133.3 | -152.6 | 0 | 0 | 0 | 111.6 | ||||
| 890 | N | 23.1 | Very low | 23.2 | Very low | 124 Ų | 124 | 129 Ų | 129 | 66% | 0.663 | 70% | 0.703 | S | S | * | * | trans | -37.5 | 165.2 | 160.2 | -46.3 | -61.1 | 0 | 0 | 0 | 114.5 | ||||
| 891 | A | 22.1 | Very low | 23.3 | Very low | 70 Ų | 70 | 131.1 Ų | 131.1 | 58% | 0.579 | 71% | 0.708 | S | S | * | * | cis | -171 | -179.1 | 37.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 892 | F | 24 | Very low | 23.4 | Very low | 206 Ų | 206 | 129.6 Ų | 129.6 | 90% | 0.904 | 70% | 0.703 | S | S | * | * | trans | 74.5 | 80.6 | 155.5 | -55.8 | -56.1 | 0 | 0 | 0 | 121.6 | ||||
| 893 | S | 26.5 | Very low | 23.5 | Very low | 108 Ų | 108 | 136.8 Ų | 136.8 | 76% | 0.755 | 72% | 0.718 | S | S | * | * | -51.3 | -168.5 | 129.9 | -39.1 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 894 | P | 31.3 | Very low | 23.5 | Very low | 98 Ų | 98 | 134.5 Ų | 134.5 | 64% | 0.636 | 71% | 0.712 | S | S | * | * | cis | -148.3 | -162.2 | 4.8 | 42.2 | -19.7 | 0 | 0 | 0 | 116.6 | ||||
| 895 | R | 23 | Very low | 23.7 | Very low | 231 Ų | 231 | 134.9 Ų | 134.9 | 87% | 0.872 | 72% | 0.715 | S | S | * | * | trans | 70.5 | 158 | 154.1 | -71.6 | 168.4 | -168.4 | 177.8 | 1.7 | 117.2 | ||||
| 896 | S | 22.5 | Very low | 23.6 | Very low | 99 Ų | 99 | 137 Ų | 137 | 69% | 0.692 | 73% | 0.725 | S | S | * | * | cis | -172.1 | -177.4 | -26.6 | 63.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 897 | N | 22.7 | Very low | 23.7 | Very low | 128 Ų | 128 | 138 Ų | 138 | 68% | 0.684 | 73% | 0.733 | S | S | * | * | cis | -164.7 | 174.4 | 3.6 | -148.3 | -34.4 | 0 | 0 | 0 | 109.6 | ||||
| 898 | K | 25 | Very low | 23.7 | Very low | 183 Ų | 183 | 135 Ų | 135 | 80% | 0.796 | 74% | 0.735 | S | S | * | * | trans | 64.9 | 161.7 | 157.2 | -66.8 | 167.7 | -175.4 | -179.6 | 0 | 117.1 | ||||
| 899 | S | 23.8 | Very low | 23.7 | Very low | 105 Ų | 105 | 134.8 Ų | 134.8 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | cis | -175 | 164.3 | -23 | 56.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 900 | S | 23.3 | Very low | 23.8 | Very low | 93 Ų | 93 | 133.3 Ų | 133.3 | 65% | 0.65 | 74% | 0.74 | S | S | * | * | cis | -168.4 | 174.3 | -10 | 38 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 901 | N | 24.3 | Very low | 23.8 | Very low | 141 Ų | 141 | 135.3 Ų | 135.3 | 75% | 0.754 | 74% | 0.743 | S | S | * | * | trans | 68.8 | 122.3 | 165.1 | -60.7 | -23.3 | 0 | 0 | 0 | 117.8 | ||||
| 902 | S | 22.8 | Very low | 23.9 | Very low | 98 Ų | 98 | 138.5 Ų | 138.5 | 69% | 0.685 | 76% | 0.757 | S | S | * | * | cis | 78.8 | 134 | 47.7 | 86.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 903 | R | 23 | Very low | 24 | Very low | 229 Ų | 229 | 132.6 Ų | 132.6 | 86% | 0.864 | 75% | 0.747 | S | S | * | * | cis | -152 | 158.2 | 45.9 | -105.3 | 174 | 173.1 | 158.5 | -3.4 | 115.4 | ||||
| 904 | S | 22 | Very low | 24.1 | Very low | 89 Ų | 89 | 129.3 Ų | 129.3 | 62% | 0.622 | 72% | 0.724 | S | S | * | * | trans | 12.6 | 126.4 | 151.7 | 58.3 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 905 | N | 24.4 | Very low | 23.9 | Very low | 147 Ų | 147 | 128 Ų | 128 | 79% | 0.786 | 71% | 0.709 | S | S | * | * | -172.7 | 114 | 104.2 | -85 | -13.1 | 0 | 0 | 0 | 108.5 | |||||
| 906 | V | 22.4 | Very low | 24.1 | Very low | 124 Ų | 124 | 122.7 Ų | 122.7 | 75% | 0.752 | 70% | 0.697 | S | S | * | * | 64.3 | 103 | 82.6 | 177.9 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 907 | I | 23.3 | Very low | 24.3 | Very low | 165 Ų | 165 | 120.7 Ų | 120.7 | 85% | 0.846 | 68% | 0.681 | S | S | * | * | trans | 171.8 | 132.1 | 142.3 | -89.7 | 154.9 | 0 | 0 | 0 | 110.4 | ||||
| 908 | A | 24 | Very low | 24.6 | Very low | 82 Ų | 82 | 119.6 Ų | 119.6 | 68% | 0.678 | 67% | 0.672 | S | S | * | * | trans | 26.5 | 130.2 | 161.7 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 909 | P | 22.5 | Very low | 24.8 | Very low | 134 Ų | 134 | 116.2 Ų | 116.2 | 87% | 0.87 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 121.7 | 168.2 | 33.2 | -32.1 | 0 | 0 | 0 | 112.9 | ||
| 910 | M | 23.7 | Very low | 25 | Very low | 145 Ų | 145 | 115.8 Ų | 115.8 | 71% | 0.714 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 137 | 174.4 | -82.2 | -171.8 | 156.4 | 0 | 0 | 113.5 | ||
| 911 | K | 23.8 | Very low | 25.3 | Very low | 166 Ų | 166 | 113.9 Ų | 113.9 | 72% | 0.722 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -69 | 129.5 | -174.1 | -61.7 | 175.7 | 179.3 | 179.7 | 0 | 112.6 | A913 | K911-A913 VanDerWaalsContact C-N 3.32Å; K911-A913 PolarHBondContact O-N 3.23Å |
| 912 | P | 23.9 | Very low | 25.6 | Very low | 137 Ų | 137 | 111.2 Ų | 111.2 | 89% | 0.89 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | 60.3 | -176.8 | 36.1 | -37.2 | 0 | 0 | 0 | 113.5 | ||
| 913 | A | 26.8 | Very low | 26 | Very low | 82 Ų | 82 | 109.2 Ų | 109.2 | 68% | 0.678 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -153.6 | -40.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | K911 T917 | K911-A913 VanDerWaalsContact C-N 3.32Å; K911-A913 PolarHBondContact O-N 3.23Å; A913-T917 PolarHBondContact O-OG1 2.69Å |
| 914 | S | 27.5 | Very low | 26.4 | Very low | 39 Ų | 39 | 104.2 Ų | 104.2 | 27% | 0.273 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -80.5 | -36.6 | -172.2 | 51 | 0 | 0 | 0 | 0 | 114.8 | L916 T917 Q918 | S914-L916 PolarHBondContact O-N 3.04Å; S914-T917 WeakPolarHBondContact O-CB 3.29Å; S914-T917 PolarHBondContact O-N 3.42Å; S914-Q918 PolarHBondContact O-N 3.38Å |
| 915 | H | 26.3 | Very low | 26.8 | Very low | 70 Ų | 70 | 107.2 Ų | 107.2 | 32% | 0.324 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -73.6 | -27.1 | -168.5 | -83.1 | -69.3 | 0 | 0 | 0 | 115.1 | Q918 L919 | H915-Q918 PolarHBondContact CE1-OE1 2.97Å; H915-Q918 VanDerWaalsContact CE1-OE1 3.31Å; H915-Q918 PolarHBondContact ND1-OE1 3.04Å; H915-Q918 VanDerWaalsContact ND1-OE1 3.15Å; H915-L919 WeakPolarHBondContact O-CB 3.36Å; H915-L919 WeakPolarHBondContact O-CG 3.13Å; H915-L919 PolarHBondContact O-N 3.27Å |
| 916 | L | 27.2 | Very low | 27.1 | Very low | 120 Ų | 120 | 104 Ų | 104 | 63% | 0.628 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -69.9 | -38.3 | 171.5 | -94 | 167.7 | 0 | 0 | 0 | 111.2 | S914 Q918 L919 L920 | S914-L916 PolarHBondContact O-N 3.04Å; L916-Q918 VanDerWaalsContact C-N 3.34Å; L916-Q918 PolarHBondContact O-N 3.01Å; L916-L919 PolarHBondContact O-N 3.15Å; L916-L920 WeakPolarHBondContact O-CB 3.37Å; L916-L920 VanDerWaalsContact O-CG 3.25Å; L916-L920 WeakPolarHBondContact O-CG 3.45Å; L916-L920 PolarHBondContact O-N 3.22Å |
| 917 | T | 28.6 | Very low | 27.5 | Very low | 58 Ų | 58 | 102.9 Ų | 102.9 | 36% | 0.356 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64.2 | -39.2 | 174.8 | -35.1 | 0 | 0 | 0 | 0 | 111.4 | Y158 A913 S914 S921 | Y158-T917 HydrophobicContact CE1-CG2 4.16Å; A913-T917 PolarHBondContact O-OG1 2.69Å; S914-T917 WeakPolarHBondContact O-CB 3.29Å; S914-T917 PolarHBondContact O-N 3.42Å; T917-S921 WeakPolarHBondContact O-CB 3.43Å; T917-S921 PolarHBondContact O-N 3.39Å; T917-S921 PolarHBondContact O-OG 2.92Å |
| 918 | Q | 29 | Very low | 27.9 | Very low | 105 Ų | 105 | 101.5 Ų | 101.5 | 49% | 0.491 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -66.6 | -48.1 | 173.7 | -73.3 | 178.4 | -22.7 | 0 | 0 | 112.6 | S914 H915 L916 L920 S921 S922 | S914-Q918 PolarHBondContact O-N 3.38Å; H915-Q918 PolarHBondContact CE1-OE1 2.97Å; H915-Q918 VanDerWaalsContact CE1-OE1 3.31Å; H915-Q918 PolarHBondContact ND1-OE1 3.04Å; H915-Q918 VanDerWaalsContact ND1-OE1 3.15Å; L916-Q918 VanDerWaalsContact C-N 3.34Å; L916-Q918 PolarHBondContact O-N 3.01Å; Q918-L920 VanDerWaalsContact C-N 3.31Å; Q918-L920 PolarHBondContact O-N 2.96Å; Q918-S921 WeakPolarHBondContact CA-OG 3.46Å; Q918-S921 PolarHBondContact O-N 2.93Å; Q918-S921 VanDerWaalsContact O-N 3.07Å; Q918-S921 PolarHBondContact O-OG 3.41Å; Q918-S922 PolarHBondContact O-N 3.21Å |
| 919 | L | 28.1 | Very low | 28.4 | Very low | 112 Ų | 112 | 99.8 Ų | 99.8 | 59% | 0.586 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -66.3 | -30 | 179.1 | -75.6 | 167 | 0 | 0 | 0 | 113.5 | H915 L916 S922 S923 | H915-L919 WeakPolarHBondContact O-CB 3.36Å; H915-L919 WeakPolarHBondContact O-CG 3.13Å; H915-L919 PolarHBondContact O-N 3.27Å; L916-L919 PolarHBondContact O-N 3.15Å; L919-S922 PolarHBondContact O-OG 3.22Å; L919-S923 PolarHBondContact O-OG 2.79Å |
| 920 | L | 28.4 | Very low | 28.8 | Very low | 95 Ų | 95 | 96.5 Ų | 96.5 | 50% | 0.497 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -74.1 | -34.3 | 170.3 | -71.3 | 168.3 | 0 | 0 | 0 | 111.6 | L916 Q918 S922 S923 | L916-L920 WeakPolarHBondContact O-CB 3.37Å; L916-L920 VanDerWaalsContact O-CG 3.25Å; L916-L920 WeakPolarHBondContact O-CG 3.45Å; L916-L920 PolarHBondContact O-N 3.22Å; Q918-L920 VanDerWaalsContact C-N 3.31Å; Q918-L920 PolarHBondContact O-N 2.96Å; L920-S922 VanDerWaalsContact C-N 3.27Å; L920-S922 PolarHBondContact O-N 3.11Å; L920-S923 PolarHBondContact O-N 2.8Å; L920-S923 VanDerWaalsContact O-N 3.1Å |
| 921 | S | 29.4 | Very low | 29.2 | Very low | 54 Ų | 54 | 91.3 Ų | 91.3 | 38% | 0.378 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.8 | -24.6 | 177 | 71.7 | 0 | 0 | 0 | 0 | 114 | T917 Q918 S923 | T917-S921 WeakPolarHBondContact O-CB 3.43Å; T917-S921 PolarHBondContact O-N 3.39Å; T917-S921 PolarHBondContact O-OG 2.92Å; Q918-S921 WeakPolarHBondContact CA-OG 3.46Å; Q918-S921 PolarHBondContact O-N 2.93Å; Q918-S921 VanDerWaalsContact O-N 3.07Å; Q918-S921 PolarHBondContact O-OG 3.41Å; S921-S923 VanDerWaalsContact C-N 3.28Å; S921-S923 PolarHBondContact O-N 3.4Å |
| 922 | S | 30 | Very low | 29.4 | Very low | 85 Ų | 85 | 92.3 Ų | 92.3 | 59% | 0.594 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | 21.3 | 171.5 | 66.1 | 0 | 0 | 0 | 0 | 113.7 | Q918 L919 L920 | Q918-S922 PolarHBondContact O-N 3.21Å; L919-S922 PolarHBondContact O-OG 3.22Å; L920-S922 VanDerWaalsContact C-N 3.27Å; L920-S922 PolarHBondContact O-N 3.11Å |
| 923 | S | 31.2 | Very low | 30 | Very low | 55 Ų | 55 | 88.5 Ų | 88.5 | 39% | 0.385 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134.1 | 10.8 | -178.2 | -65.3 | 0 | 0 | 0 | 0 | 113.3 | L919 L920 S921 | L919-S923 PolarHBondContact O-OG 2.79Å; L920-S923 PolarHBondContact O-N 2.8Å; L920-S923 VanDerWaalsContact O-N 3.1Å; S921-S923 VanDerWaalsContact C-N 3.28Å; S921-S923 PolarHBondContact O-N 3.4Å |
| 924 | I | 31.5 | Very low | 30.3 | Very low | 124 Ų | 124 | 87 Ų | 87 | 64% | 0.636 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -33.6 | -171.5 | -64.4 | 179.4 | 0 | 0 | 0 | 111.7 | N926 | I924-N926 PolarHBondContact O-N 2.87Š|
| 925 | D | 30.7 | Very low | 30.5 | Very low | 153 Ų | 153 | 90.3 Ų | 90.3 | 82% | 0.818 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | 18 | -174.6 | -40.1 | -55.7 | 0 | 0 | 0 | 114.6 | ||
| 926 | N | 31.9 | Very low | 31 | Very low | 80 Ų | 80 | 92.6 Ų | 92.6 | 43% | 0.428 | 51% | 0.506 | S | S | . | . | trans | -123.3 | 98.3 | -173.7 | -161.2 | -38.3 | 0 | 0 | 0 | 111.2 | I924 N928 V929 | I924-N926 PolarHBondContact O-N 2.87Å; N926-N928 PolarHBondContact O-N 2.82Å; N926-V929 HydrophobicContact CB-CG2 3.87Å; N926-V929 WeakPolarHBondContact O-CB 3.38Å; N926-V929 PolarHBondContact O-N 3.35Å | ||
| 927 | P | 30.4 | Very low | 31.3 | Very low | 100 Ų | 100 | 92 Ų | 92 | 65% | 0.649 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -17.8 | -171.8 | 23.2 | -33.7 | 0 | 0 | 0 | 113.9 | V929 S930 | P927-V929 PolarHBondContact O-N 3.45Å; P927-S930 PolarHBondContact O-OG 2.97Å |
| 928 | N | 32 | Very low | 31.6 | Very low | 136 Ų | 136 | 90.4 Ų | 90.4 | 73% | 0.727 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -1.1 | 174.7 | -64.1 | -71 | 0 | 0 | 0 | 114.1 | N926 | N926-N928 PolarHBondContact O-N 2.82Š|
| 929 | V | 33.2 | Very low | 32.1 | Very low | 45 Ų | 45 | 86.4 Ų | 86.4 | 27% | 0.273 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | -29.8 | -174 | -174.7 | 0 | 0 | 0 | 0 | 113.2 | N926 P927 G931 R932 I933 | N926-V929 HydrophobicContact CB-CG2 3.87Å; N926-V929 WeakPolarHBondContact O-CB 3.38Å; N926-V929 PolarHBondContact O-N 3.35Å; P927-V929 PolarHBondContact O-N 3.45Å; V929-G931 PolarHBondContact O-N 2.82Å; V929-R932 PolarHBondContact O-N 3.33Å; V929-I933 HydrophobicContact CG1-CD1 3.88Å; V929-I933 HydrophobicContact CG1-CG1 4.13Å; V929-I933 PolarHBondContact O-N 3.36Å; V929-I933 VanDerWaalsContact O-N 3.16Å |
| 930 | S | 31.1 | Very low | 32.7 | Very low | 66 Ų | 66 | 83.4 Ų | 83.4 | 46% | 0.462 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -55.6 | -51.9 | -176.6 | 57.8 | 0 | 0 | 0 | 0 | 112.4 | P927 R932 I933 D934 | P927-S930 PolarHBondContact O-OG 2.97Å; S930-R932 PolarHBondContact O-N 3.2Å; S930-I933 WeakPolarHBondContact O-CA 3.34Å; S930-I933 PolarHBondContact O-N 2.91Å; S930-D934 PolarHBondContact O-N 3.32Å |
| 931 | G | 31.7 | Very low | 33.2 | Very low | 35 Ų | 35 | 82 Ų | 82 | 36% | 0.361 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.9 | -3.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | V929 | V929-G931 PolarHBondContact O-N 2.82Å |
| 932 | R | 29.3 | Very low | 33.8 | Very low | 187 Ų | 187 | 83.3 Ų | 83.3 | 71% | 0.706 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -99.7 | -37.8 | 164.6 | -71.8 | -176.4 | 177.1 | 165.4 | 3.1 | 112.6 | V929 S930 D934 F935 I936 | V929-R932 PolarHBondContact O-N 3.33Å; S930-R932 PolarHBondContact O-N 3.2Å; R932-D934 VanDerWaalsContact C-N 3.34Å; R932-F935 PolarHBondContact O-N 3.39Å; R932-I936 WeakPolarHBondContact O-CG1 3.22Å; R932-I936 PolarHBondContact O-N 3.41Å; R932-I936 VanDerWaalsContact O-N 3.1Å |
| 933 | I | 35.2 | Very low | 34.3 | Very low | 58 Ų | 58 | 81.2 Ų | 81.2 | 30% | 0.297 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.6 | -46 | 175.1 | -66.5 | 172.5 | 0 | 0 | 0 | 109.7 | V929 S930 F935 I936 R937 | V929-I933 HydrophobicContact CG1-CD1 3.88Å; V929-I933 HydrophobicContact CG1-CG1 4.13Å; V929-I933 PolarHBondContact O-N 3.36Å; V929-I933 VanDerWaalsContact O-N 3.16Å; S930-I933 WeakPolarHBondContact O-CA 3.34Å; S930-I933 PolarHBondContact O-N 2.91Å; I933-F935 VanDerWaalsContact C-N 3.35Å; I933-F935 PolarHBondContact O-N 2.87Å; I933-I936 PolarHBondContact O-N 3.24Å; I933-I936 VanDerWaalsContact O-N 3.16Å; I933-R937 WeakPolarHBondContact O-CG 3.43Å; I933-R937 PolarHBondContact O-N 3.32Å |
| 934 | D | 33.1 | Very low | 34.7 | Very low | 50 Ų | 50 | 85.8 Ų | 85.8 | 27% | 0.267 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -69.4 | -33.4 | -179.1 | -61 | -38.3 | 0 | 0 | 0 | 112.1 | S930 R932 I936 R937 T938 | S930-D934 PolarHBondContact O-N 3.32Å; R932-D934 VanDerWaalsContact C-N 3.34Å; D934-I936 VanDerWaalsContact C-N 3.32Å; D934-I936 PolarHBondContact O-N 3.22Å; D934-R937 WeakPolarHBondContact O-CB 3.39Å; D934-R937 PolarHBondContact O-N 3.45Å; D934-R937 IonicContact OD1-CZ 2.65Å; D934-R937 IonicContact OD1-NH1 2.87Å; D934-R937 PolarHBondContact OD1-NH1 3.32Å; D934-T938 WeakPolarHBondContact O-CG2 3.46Å; D934-T938 PolarHBondContact O-N 3.47Å; D934-T938 PolarHBondContact O-OG1 2.99Å |
| 935 | F | 31.6 | Very low | 34.9 | Very low | 108 Ų | 108 | 83.2 Ų | 83.2 | 47% | 0.474 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -66 | -32.4 | 172.3 | -159.5 | -90.9 | 0 | 0 | 0 | 112.7 | R932 I933 T938 S939 | R932-F935 PolarHBondContact O-N 3.39Å; I933-F935 VanDerWaalsContact C-N 3.35Å; I933-F935 PolarHBondContact O-N 2.87Å; F935-T938 PolarHBondContact O-OG1 2.94Å; F935-S939 WeakPolarHBondContact O-CB 3.43Å; F935-S939 PolarHBondContact O-N 3Å; F935-S939 PolarHBondContact O-OG 2.96Å |
| 936 | I | 37.2 | Very low | 35.5 | Very low | 119 Ų | 119 | 81.4 Ų | 81.4 | 61% | 0.61 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -72.2 | -36.9 | 172.5 | -68.1 | 164.5 | 0 | 0 | 0 | 110.6 | R932 I933 D934 S939 S940 | R932-I936 WeakPolarHBondContact O-CG1 3.22Å; R932-I936 PolarHBondContact O-N 3.41Å; R932-I936 VanDerWaalsContact O-N 3.1Å; I933-I936 PolarHBondContact O-N 3.24Å; I933-I936 VanDerWaalsContact O-N 3.16Å; D934-I936 VanDerWaalsContact C-N 3.32Å; D934-I936 PolarHBondContact O-N 3.22Å; I936-S939 WeakPolarHBondContact CA-OG 3.39Å; I936-S939 PolarHBondContact O-OG 2.69Å; I936-S940 WeakPolarHBondContact O-CB 3.32Å; I936-S940 PolarHBondContact O-N 3.49Å |
| 937 | R | 33.4 | Very low | 36 | Very low | 106 Ų | 106 | 83.8 Ų | 83.8 | 40% | 0.4 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.8 | -51.3 | 175.6 | -70.7 | 163.6 | 166.9 | 166.8 | -9 | 112 | I214 I933 D934 S939 S940 L941 | I214-R937 HydrophobicContact CD1-CB 3.98Å; I214-R937 HydrophobicContact CG1-CB 4.29Å; I933-R937 WeakPolarHBondContact O-CG 3.43Å; I933-R937 PolarHBondContact O-N 3.32Å; D934-R937 WeakPolarHBondContact O-CB 3.39Å; D934-R937 PolarHBondContact O-N 3.45Å; D934-R937 IonicContact OD1-CZ 2.65Å; D934-R937 IonicContact OD1-NH1 2.87Å; D934-R937 PolarHBondContact OD1-NH1 3.32Å; R937-S939 PolarHBondContact O-N 2.86Å; R937-S940 PolarHBondContact O-N 3.06Å; R937-S940 VanDerWaalsContact O-N 3.14Å; R937-S940 PolarHBondContact O-OG 3.01Å; R937-L941 PolarHBondContact O-N 3.23Å |
| 938 | T | 35.6 | Very low | 36.3 | Very low | 25 Ų | 25 | 85.6 Ų | 85.6 | 15% | 0.153 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -65.7 | -38.9 | -179.1 | 55.8 | 0 | 0 | 0 | 0 | 112.3 | E285 D934 F935 S940 L941 L942 | E285-T938 HydrophobicContact CG-CG2 4.47Å; D934-T938 WeakPolarHBondContact O-CG2 3.46Å; D934-T938 PolarHBondContact O-N 3.47Å; D934-T938 PolarHBondContact O-OG1 2.99Å; F935-T938 PolarHBondContact O-OG1 2.94Å; T938-S940 VanDerWaalsContact C-N 3.35Å; T938-S940 PolarHBondContact O-N 3.31Å; T938-L941 PolarHBondContact O-N 3.15Å; T938-L942 WeakPolarHBondContact O-CG 3.42Å; T938-L942 PolarHBondContact O-N 3.04Å |
| 939 | S | 38.7 | Very low | 36.6 | Very low | 22 Ų | 22 | 81.6 Ų | 81.6 | 15% | 0.154 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -65.1 | -35.1 | 171.8 | 54.2 | 0 | 0 | 0 | 0 | 113.1 | Y819 F935 I936 R937 L941 L942 A943 | Y819-S939 WeakPolarHBondContact OH-CB 3.32Å; F935-S939 WeakPolarHBondContact O-CB 3.43Å; F935-S939 PolarHBondContact O-N 3Å; F935-S939 PolarHBondContact O-OG 2.96Å; I936-S939 WeakPolarHBondContact CA-OG 3.39Å; I936-S939 PolarHBondContact O-OG 2.69Å; R937-S939 PolarHBondContact O-N 2.86Å; S939-L941 VanDerWaalsContact C-N 3.35Å; S939-L942 PolarHBondContact O-N 2.93Å; S939-A943 WeakPolarHBondContact O-CB 3.47Å; S939-A943 PolarHBondContact O-N 2.67Å |
| 940 | S | 40.8 | Very low | 36.9 | Very low | 49 Ų | 49 | 83.5 Ų | 83.5 | 34% | 0.343 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -66.8 | -33.5 | 172.8 | 79.4 | 0 | 0 | 0 | 0 | 113.2 | I936 R937 T938 R944 | I936-S940 WeakPolarHBondContact O-CB 3.32Å; I936-S940 PolarHBondContact O-N 3.49Å; R937-S940 PolarHBondContact O-N 3.06Å; R937-S940 VanDerWaalsContact O-N 3.14Å; R937-S940 PolarHBondContact O-OG 3.01Å; T938-S940 VanDerWaalsContact C-N 3.35Å; T938-S940 PolarHBondContact O-N 3.31Å; S940-R944 WeakPolarHBondContact O-CB 3.23Å; S940-R944 VanDerWaalsContact O-CG 3.29Å; S940-R944 WeakPolarHBondContact O-CG 3.48Å; S940-R944 PolarHBondContact O-N 3.32Å |
| 941 | L | 39.8 | Very low | 37.1 | Very low | 64 Ų | 64 | 84.9 Ų | 84.9 | 34% | 0.335 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -70 | -41.9 | 172.3 | -86.1 | 175.3 | 0 | 0 | 0 | 112.2 | I214 R937 T938 S939 R944 R945 | I214-L941 HydrophobicContact CD1-CD1 3.39Å; I214-L941 HydrophobicContact CD1-CG 4.34Å; R937-L941 PolarHBondContact O-N 3.23Å; T938-L941 PolarHBondContact O-N 3.15Å; S939-L941 VanDerWaalsContact C-N 3.35Å; L941-R944 PolarHBondContact O-N 2.82Å; L941-R945 WeakPolarHBondContact O-CB 3.42Å; L941-R945 PolarHBondContact O-N 2.98Å |
| 942 | L | 41.8 | Very low | 37.2 | Very low | 83 Ų | 83 | 86.1 Ų | 86.1 | 44% | 0.435 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.7 | -43.7 | 175.9 | -75.6 | 165.8 | 0 | 0 | 0 | 111.5 | T938 S939 R944 R945 Q946 | T938-L942 WeakPolarHBondContact O-CG 3.42Å; T938-L942 PolarHBondContact O-N 3.04Å; S939-L942 PolarHBondContact O-N 2.93Å; L942-R944 VanDerWaalsContact C-N 3.34Å; L942-R944 PolarHBondContact O-N 3.49Å; L942-R945 PolarHBondContact O-N 3.25Å; L942-Q946 WeakPolarHBondContact O-CG 3.47Å; L942-Q946 PolarHBondContact O-N 3.28Å |
| 943 | A | 41.1 | Very low | 37.5 | Very low | 41 Ų | 41 | 81.2 Ų | 81.2 | 34% | 0.339 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.9 | -40.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | S939 Q946 Q947 | S939-A943 WeakPolarHBondContact O-CB 3.47Å; S939-A943 PolarHBondContact O-N 2.67Å; A943-Q946 PolarHBondContact O-N 3.14Å; A943-Q947 WeakPolarHBondContact O-CB 3.27Å; A943-Q947 VanDerWaalsContact O-CG 3.31Å; A943-Q947 WeakPolarHBondContact O-CG 3.22Å; A943-Q947 PolarHBondContact O-N 2.94Å |
| 944 | R | 38.9 | Very low | 37.4 | Very low | 151 Ų | 151 | 81.4 Ų | 81.4 | 57% | 0.57 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -69.2 | -39 | 175.3 | -75.9 | 170.7 | 174.2 | 172.4 | -4.6 | 113.2 | S940 L941 L942 Q946 Q947 Y948 | S940-R944 WeakPolarHBondContact O-CB 3.23Å; S940-R944 VanDerWaalsContact O-CG 3.29Å; S940-R944 WeakPolarHBondContact O-CG 3.48Å; S940-R944 PolarHBondContact O-N 3.32Å; L941-R944 PolarHBondContact O-N 2.82Å; L942-R944 VanDerWaalsContact C-N 3.34Å; L942-R944 PolarHBondContact O-N 3.49Å; R944-Q946 VanDerWaalsContact C-N 3.32Å; R944-Q947 PolarHBondContact O-N 3.06Å; R944-Y948 WeakPolarHBondContact O-CB 3.43Å; R944-Y948 PolarHBondContact O-N 2.98Å |
| 945 | R | 36.3 | Very low | 37.5 | Very low | 69 Ų | 69 | 84.6 Ų | 84.6 | 26% | 0.26 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62 | -41.4 | 173.1 | -175 | 174.6 | 176.7 | -141.4 | -5.7 | 110.5 | H252 L941 L942 I949 S994 | H252-R945 PolarHBondContact NE2-NH1 2.96Å; H252-R945 PolarHBondContact NE2-NH2 2.89Å; H252-R945 VanDerWaalsContact NE2-NH2 3.19Å; L941-R945 WeakPolarHBondContact O-CB 3.42Å; L941-R945 PolarHBondContact O-N 2.98Å; L942-R945 PolarHBondContact O-N 3.25Å; R945-I949 HydrophobicContact CG-CD1 3.97Å; R945-I949 WeakPolarHBondContact O-CB 3.39Å; R945-I949 WeakPolarHBondContact O-CD1 3.33Å; R945-I949 WeakPolarHBondContact O-CG1 3.42Å; R945-I949 PolarHBondContact O-N 2.66Å; R945-S994 PolarHBondContact NE-O 3.43Å; R945-S994 PolarHBondContact NH2-O 3.04Å; R945-S994 PolarHBondContact NH2-OG 3.47Å |
| 946 | Q | 43.5 | Very low | 37.7 | Very low | 116 Ų | 116 | 84.8 Ų | 84.8 | 54% | 0.542 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.7 | -49.6 | 171.8 | -74.4 | 177.9 | -30.6 | 0 | 0 | 111.7 | L942 A943 R944 Y948 I949 T950 | L942-Q946 WeakPolarHBondContact O-CG 3.47Å; L942-Q946 PolarHBondContact O-N 3.28Å; A943-Q946 PolarHBondContact O-N 3.14Å; R944-Q946 VanDerWaalsContact C-N 3.32Å; Q946-Y948 VanDerWaalsContact C-N 3.34Å; Q946-Y948 PolarHBondContact O-N 3.36Å; Q946-I949 PolarHBondContact O-N 3.01Å; Q946-T950 PolarHBondContact O-N 3.41Å; Q946-T950 PolarHBondContact O-OG1 3.4Å; Q946-T950 VanDerWaalsContact O-OG1 3.12Å |
| 947 | Q | 42.2 | Very low | 37.5 | Very low | 129 Ų | 129 | 84.6 Ų | 84.6 | 60% | 0.603 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -56.7 | -44.8 | 177.1 | -76.3 | 173.5 | -39 | 0 | 0 | 112.5 | A943 R944 T950 L951 | A943-Q947 WeakPolarHBondContact O-CB 3.27Å; A943-Q947 VanDerWaalsContact O-CG 3.31Å; A943-Q947 WeakPolarHBondContact O-CG 3.22Å; A943-Q947 PolarHBondContact O-N 2.94Å; R944-Q947 PolarHBondContact O-N 3.06Å; Q947-T950 PolarHBondContact O-N 2.75Å; Q947-L951 WeakPolarHBondContact O-CB 3.36Å; Q947-L951 PolarHBondContact O-N 3.26Å |
| 948 | Y | 36.1 | Very low | 37.3 | Very low | 138 Ų | 138 | 86.2 Ų | 86.2 | 54% | 0.541 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -67.2 | -40.4 | 179 | -170.2 | -107.5 | 0 | 0 | 0 | 112.5 | R944 Q946 T950 L951 L952 | R944-Y948 WeakPolarHBondContact O-CB 3.43Å; R944-Y948 PolarHBondContact O-N 2.98Å; Q946-Y948 VanDerWaalsContact C-N 3.34Å; Q946-Y948 PolarHBondContact O-N 3.36Å; Y948-T950 VanDerWaalsContact C-N 3.34Å; Y948-T950 PolarHBondContact O-N 2.69Å; Y948-L951 PolarHBondContact O-N 3.13Å; Y948-L952 HydrophobicContact CD1-CD1 3.84Å; Y948-L952 HydrophobicContact CD1-CG 4.42Å; Y948-L952 HydrophobicContact CE1-CD1 3.56Å; Y948-L952 HydrophobicContact CE1-CG 4.19Å; Y948-L952 WeakPolarHBondContact O-CG 2.96Å; Y948-L952 PolarHBondContact O-N 3.14Å |
| 949 | I | 39.1 | Very low | 37 | Very low | 52 Ų | 52 | 91.1 Ų | 91.1 | 27% | 0.267 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.5 | -39 | 173 | -70.8 | 166.8 | 0 | 0 | 0 | 111.2 | R945 Q946 K953 | R945-I949 HydrophobicContact CG-CD1 3.97Å; R945-I949 WeakPolarHBondContact O-CB 3.39Å; R945-I949 WeakPolarHBondContact O-CD1 3.33Å; R945-I949 WeakPolarHBondContact O-CG1 3.42Å; R945-I949 PolarHBondContact O-N 2.66Å; Q946-I949 PolarHBondContact O-N 3.01Å; I949-K953 HydrophobicContact CG2-CD 4.5Å; I949-K953 WeakPolarHBondContact O-CG 3.11Å; I949-K953 PolarHBondContact O-N 3.16Å; I949-K953 VanDerWaalsContact O-N 3.17Å |
| 950 | T | 37.7 | Very low | 36.3 | Very low | 85 Ų | 85 | 97.5 Ų | 97.5 | 52% | 0.521 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66 | -42 | 173.8 | -58.8 | 0 | 0 | 0 | 0 | 111.5 | Q946 Q947 Y948 K953 T954 | Q946-T950 PolarHBondContact O-N 3.41Å; Q946-T950 PolarHBondContact O-OG1 3.4Å; Q946-T950 VanDerWaalsContact O-OG1 3.12Å; Q947-T950 PolarHBondContact O-N 2.75Å; Y948-T950 VanDerWaalsContact C-N 3.34Å; Y948-T950 PolarHBondContact O-N 2.69Å; T950-K953 PolarHBondContact O-N 2.94Å; T950-T954 PolarHBondContact O-N 2.7Å; T950-T954 PolarHBondContact O-OG1 2.85Å |
| 951 | L | 35.5 | Very low | 35.5 | Very low | 95 Ų | 95 | 100 Ų | 100 | 50% | 0.497 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61 | -49.3 | 178.9 | -123.8 | 162.6 | 0 | 0 | 0 | 111.7 | Q947 Y948 K953 T954 Q955 | Q947-L951 WeakPolarHBondContact O-CB 3.36Å; Q947-L951 PolarHBondContact O-N 3.26Å; Y948-L951 PolarHBondContact O-N 3.13Å; L951-K953 PolarHBondContact O-N 2.75Å; L951-T954 WeakPolarHBondContact CA-OG1 3.4Å; L951-T954 PolarHBondContact O-N 3.48Å; L951-T954 PolarHBondContact O-OG1 3.01Å; L951-Q955 HydrophobicContact CD2-CG 4.46Å; L951-Q955 PolarHBondContact O-N 3.02Å |
| 952 | L | 34.9 | Very low | 34.7 | Very low | 62 Ų | 62 | 102 Ų | 102 | 33% | 0.325 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.9 | -34.1 | 175.3 | -73.8 | 174.2 | 0 | 0 | 0 | 112.9 | Y948 Q956 | Y948-L952 HydrophobicContact CD1-CD1 3.84Å; Y948-L952 HydrophobicContact CD1-CG 4.42Å; Y948-L952 HydrophobicContact CE1-CD1 3.56Å; Y948-L952 HydrophobicContact CE1-CG 4.19Å; Y948-L952 WeakPolarHBondContact O-CG 2.96Å; Y948-L952 PolarHBondContact O-N 3.14Å; L952-Q956 WeakPolarHBondContact O-CG 3.47Å; L952-Q956 PolarHBondContact O-N 2.69Å |
| 953 | K | 34.8 | Very low | 33.9 | Very low | 83 Ų | 83 | 104.1 Ų | 104.1 | 36% | 0.361 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -71.1 | -51.4 | 174.2 | -75.8 | -178.9 | 172.2 | -156.4 | 0 | 111.6 | I949 T950 L951 Q955 Q956 D957 | I949-K953 HydrophobicContact CG2-CD 4.5Å; I949-K953 WeakPolarHBondContact O-CG 3.11Å; I949-K953 PolarHBondContact O-N 3.16Å; I949-K953 VanDerWaalsContact O-N 3.17Å; T950-K953 PolarHBondContact O-N 2.94Å; L951-K953 PolarHBondContact O-N 2.75Å; K953-Q955 PolarHBondContact O-N 2.69Å; K953-Q955 VanDerWaalsContact O-N 3.12Å; K953-Q956 CarbonylContact O-C 3.44Å; K953-Q956 WeakPolarHBondContact O-CA 3.47Å; K953-Q956 PolarHBondContact O-N 3.39Å; K953-D957 VanDerWaalsContact O-CG 3.24Å; K953-D957 PolarHBondContact O-N 3.42Å; K953-D957 VanDerWaalsContact O-OD2 3.09Å |
| 954 | T | 33.2 | Very low | 33 | Very low | 63 Ų | 63 | 108.2 Ų | 108.2 | 39% | 0.387 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -57.8 | -30.8 | 177.3 | 49.1 | 0 | 0 | 0 | 0 | 113.2 | T950 L951 L958 | T950-T954 PolarHBondContact O-N 2.7Å; T950-T954 PolarHBondContact O-OG1 2.85Å; L951-T954 WeakPolarHBondContact CA-OG1 3.4Å; L951-T954 PolarHBondContact O-N 3.48Å; L951-T954 PolarHBondContact O-OG1 3.01Å; T954-L958 VanDerWaalsContact O-CB 3.27Å; T954-L958 WeakPolarHBondContact O-CB 2.88Å; T954-L958 WeakPolarHBondContact O-CD1 2.96Å; T954-L958 WeakPolarHBondContact O-CG 3.44Å; T954-L958 PolarHBondContact O-N 2.98Å |
| 955 | Q | 35.4 | Very low | 32.3 | Very low | 117 Ų | 117 | 111.6 Ų | 111.6 | 55% | 0.547 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -75.9 | -19.3 | 173.1 | -73.2 | -178.1 | -42.1 | 0 | 0 | 114.3 | L951 K953 N959 | L951-Q955 HydrophobicContact CD2-CG 4.46Å; L951-Q955 PolarHBondContact O-N 3.02Å; K953-Q955 PolarHBondContact O-N 2.69Å; K953-Q955 VanDerWaalsContact O-N 3.12Å; Q955-N959 PolarHBondContact O-ND2 3.12Å |
| 956 | Q | 35 | Very low | 31.5 | Very low | 112 Ų | 112 | 114.3 Ų | 114.3 | 52% | 0.523 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -89 | -39.6 | 172.6 | -72.9 | 173.8 | 8.4 | 0 | 0 | 111 | L952 K953 L958 N959 | L952-Q956 WeakPolarHBondContact O-CG 3.47Å; L952-Q956 PolarHBondContact O-N 2.69Å; K953-Q956 CarbonylContact O-C 3.44Å; K953-Q956 WeakPolarHBondContact O-CA 3.47Å; K953-Q956 PolarHBondContact O-N 3.39Å; Q956-L958 VanDerWaalsContact C-N 3.32Å; Q956-L958 PolarHBondContact O-N 3.14Å; Q956-N959 PolarHBondContact O-N 3.19Å |
| 957 | D | 33.2 | Very low | 30.5 | Very low | 114 Ų | 114 | 114.7 Ų | 114.7 | 61% | 0.61 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -70.3 | -25.1 | 179.7 | -57.6 | -37.5 | 0 | 0 | 0 | 113 | K953 | K953-D957 VanDerWaalsContact O-CG 3.24Å; K953-D957 PolarHBondContact O-N 3.42Å; K953-D957 VanDerWaalsContact O-OD2 3.09Å |
| 958 | L | 30.7 | Very low | 29.5 | Very low | 140 Ų | 140 | 117.1 Ų | 117.1 | 73% | 0.733 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | 3.6 | 177.7 | -73.2 | 171.4 | 0 | 0 | 0 | 115.1 | T954 Q956 | T954-L958 VanDerWaalsContact O-CB 3.27Å; T954-L958 WeakPolarHBondContact O-CB 2.88Å; T954-L958 WeakPolarHBondContact O-CD1 2.96Å; T954-L958 WeakPolarHBondContact O-CG 3.44Å; T954-L958 PolarHBondContact O-N 2.98Å; Q956-L958 VanDerWaalsContact C-N 3.32Å; Q956-L958 PolarHBondContact O-N 3.14Å |
| 959 | N | 27.8 | Very low | 28.9 | Very low | 128 Ų | 128 | 116 Ų | 116 | 68% | 0.684 | 62% | 0.615 | S | S | * | * | trans | -117 | 34.9 | -176.3 | -81.8 | -66.4 | 0 | 0 | 0 | 113.5 | Q955 Q956 | Q955-N959 PolarHBondContact O-ND2 3.12Å; Q956-N959 PolarHBondContact O-N 3.19Å | ||
| 960 | L | 24.8 | Very low | 28.2 | Very low | 157 Ų | 157 | 118.5 Ų | 118.5 | 82% | 0.822 | 64% | 0.638 | S | S | * | * | trans | -109.2 | 68.7 | 176.4 | -74.2 | 170.6 | 0 | 0 | 0 | 112.2 | ||||
| 961 | S | 24 | Very low | 27.5 | Very low | 100 Ų | 100 | 120.1 Ų | 120.1 | 70% | 0.699 | 65% | 0.647 | S | S | * | * | trans | -139.9 | 126.1 | 165.3 | 52.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 962 | P | 23.3 | Very low | 26.9 | Very low | 106 Ų | 106 | 122.7 Ų | 122.7 | 69% | 0.688 | 66% | 0.661 | S | S | * | * | trans | -82.6 | 133.6 | 178.7 | 31.7 | -32.3 | 0 | 0 | 0 | 111 | I964 | P962-I964 PolarHBondContact O-N 2.84Å; P962-I964 VanDerWaalsContact O-N 3.1Å | ||
| 963 | P | 25 | Very low | 26.5 | Very low | 129 Ų | 129 | 128.3 Ų | 128.3 | 84% | 0.838 | 69% | 0.686 | S | S | * | * | trans | -73.3 | 100.5 | 167.4 | 29.7 | -31.9 | 0 | 0 | 0 | 109.5 | ||||
| 964 | I | 21.1 | Very low | 25.9 | Very low | 126 Ų | 126 | 132.7 Ų | 132.7 | 65% | 0.646 | 71% | 0.708 | S | S | * | * | trans | -76.7 | 120.6 | 173.1 | -62.8 | 167.6 | 0 | 0 | 0 | 108.8 | P962 | P962-I964 PolarHBondContact O-N 2.84Å; P962-I964 VanDerWaalsContact O-N 3.1Å | ||
| 965 | Y | 24.2 | Very low | 25.4 | Very low | 223 Ų | 223 | 137.1 Ų | 137.1 | 88% | 0.875 | 73% | 0.729 | S | S | * | * | trans | -149.5 | 79.2 | 156.7 | -91.2 | -68.7 | 0 | 0 | 0 | 110.3 | ||||
| 966 | D | 21 | Very low | 24.8 | Very low | 125 Ų | 125 | 136.1 Ų | 136.1 | 67% | 0.668 | 74% | 0.735 | S | S | * | * | 17.4 | 122.2 | 122.8 | -105.3 | -20.5 | 0 | 0 | 0 | 116.4 | |||||
| 967 | L | 21.7 | Very low | 24.2 | Very low | 125 Ų | 125 | 139.3 Ų | 139.3 | 65% | 0.654 | 75% | 0.747 | S | S | * | * | -170.9 | 138.5 | 54.9 | -88.9 | 138.2 | 0 | 0 | 0 | 114.3 | |||||
| 968 | K | 21.7 | Very low | 23.7 | Very low | 180 Ų | 180 | 138.6 Ų | 138.6 | 78% | 0.783 | 75% | 0.749 | S | S | * | * | trans | 61.1 | 139.8 | 142 | -68.3 | 172.2 | -176.5 | 168.9 | 0 | 123.6 | ||||
| 969 | S | 22.8 | Very low | 23.4 | Very low | 113 Ų | 113 | 142 Ų | 142 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | trans | 56.7 | 133.1 | 154.8 | 47.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 970 | S | 24 | Very low | 23.1 | Very low | 106 Ų | 106 | 142.2 Ų | 142.2 | 74% | 0.741 | 76% | 0.757 | S | S | * | * | cis | -153.3 | 126.6 | 7.3 | 40.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 971 | V | 23.5 | Very low | 23 | Very low | 118 Ų | 118 | 139.1 Ų | 139.1 | 72% | 0.715 | 75% | 0.747 | S | S | * | * | 68.7 | 115.9 | 73.7 | 176.4 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 972 | D | 23 | Very low | 23 | Very low | 149 Ų | 149 | 138.9 Ų | 138.9 | 80% | 0.797 | 74% | 0.744 | S | S | * | * | trans | 64.5 | 148.3 | 167.9 | -58.2 | -23.7 | 0 | 0 | 0 | 119.1 | ||||
| 973 | Q | 25.9 | Very low | 23 | Very low | 180 Ų | 180 | 139.8 Ų | 139.8 | 84% | 0.841 | 74% | 0.743 | S | S | * | * | cis | -121.1 | 144.6 | 7.5 | -70.5 | 177.3 | -24.9 | 0 | 0 | 113.2 | ||||
| 974 | Q | 22.7 | Very low | 23 | Very low | 176 Ų | 176 | 142.4 Ų | 142.4 | 82% | 0.822 | 74% | 0.744 | S | S | * | * | trans | -85.4 | 145.3 | 160.7 | -61.8 | 178.6 | 1.1 | 0 | 0 | 110 | ||||
| 975 | N | 23.1 | Very low | 23 | Very low | 156 Ų | 156 | 142.3 Ų | 142.3 | 83% | 0.834 | 74% | 0.739 | S | S | * | * | trans | -170.4 | 158.6 | 131.1 | -107.5 | -51.5 | 0 | 0 | 0 | 115.9 | ||||
| 976 | S | 22.8 | Very low | 23 | Very low | 95 Ų | 95 | 137.1 Ų | 137.1 | 66% | 0.664 | 73% | 0.725 | S | S | * | * | trans | 51.8 | 77.1 | 157.2 | 63.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 977 | F | 23.1 | Very low | 23.2 | Very low | 179 Ų | 179 | 139.4 Ų | 139.4 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | trans | -133.8 | 152.3 | 130.2 | -93.7 | -80.4 | 0 | 0 | 0 | 109.5 | ||||
| 978 | P | 22.8 | Very low | 23.2 | Very low | 99 Ų | 99 | 140.1 Ų | 140.1 | 64% | 0.643 | 74% | 0.735 | S | S | * | * | trans | -84.2 | 169.9 | -157.5 | 33.9 | -36.2 | 0 | 0 | 0 | 114 | I980 | P978-I980 PolarHBondContact O-N 3.26Š| ||
| 979 | K | 23 | Very low | 23.3 | Very low | 212 Ų | 212 | 136.9 Ų | 136.9 | 92% | 0.922 | 73% | 0.726 | S | S | * | * | trans | -65.7 | 75.2 | 174 | -65.6 | 175.7 | 179.4 | 173.7 | 0 | 112.1 | ||||
| 980 | I | 22.6 | Very low | 23.3 | Very low | 132 Ų | 132 | 139.7 Ų | 139.7 | 68% | 0.677 | 73% | 0.727 | S | S | * | * | trans | -66.7 | 128.2 | 159.9 | -58.4 | 174 | 0 | 0 | 0 | 106.7 | P978 C982 | P978-I980 PolarHBondContact O-N 3.26Å; I980-C982 PolarHBondContact O-N 2.86Å | ||
| 981 | P | 22.3 | Very low | 23.3 | Very low | 93 Ų | 93 | 140 Ų | 140 | 60% | 0.604 | 71% | 0.712 | S | S | * | * | trans | -63.5 | 127.4 | 172.8 | 27 | -33.2 | 0 | 0 | 0 | 109 | N983 | P981-N983 PolarHBondContact O-N 2.88Å; P981-N983 PolarHBondContact O-OD1 3.05Å | ||
| 982 | C | 23.2 | Very low | 23.4 | Very low | 94 Ų | 94 | 140.5 Ų | 140.5 | 64% | 0.635 | 72% | 0.715 | S | S | * | * | trans | -72.5 | 76.9 | -177.6 | -65.7 | 0 | 0 | 0 | 0 | 111.6 | I980 Q984 F985 | I980-C982 PolarHBondContact O-N 2.86Å; C982-Q984 PolarHBondContact O-N 3.48Å; C982-F985 HydrophobicContact CB-CD2 4.06Å; C982-F985 HydrophobicContact CB-CE2 4.22Å; C982-F985 PolarHBondContact O-N 2.87Å | ||
| 983 | N | 23.7 | Very low | 23.5 | Very low | 125 Ų | 125 | 140 Ų | 140 | 67% | 0.668 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | 38 | 173.7 | -66 | 3.9 | 0 | 0 | 0 | 112.6 | P981 | P981-N983 PolarHBondContact O-N 2.88Å; P981-N983 PolarHBondContact O-OD1 3.05Å |
| 984 | Q | 24.5 | Very low | 23.8 | Very low | 184 Ų | 184 | 133.5 Ų | 133.5 | 86% | 0.86 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113 | 2.5 | 165.2 | -68.5 | -175.6 | -19.2 | 0 | 0 | 111.5 | C982 | C982-Q984 PolarHBondContact O-N 3.48Š|
| 985 | F | 22.1 | Very low | 24.2 | Very low | 125 Ų | 125 | 127.5 Ų | 127.5 | 55% | 0.548 | 65% | 0.653 | S | S | . | * | trans | -118.1 | 129.6 | 162.7 | -51.5 | -86.7 | 0 | 0 | 0 | 105.7 | C982 K988 | C982-F985 HydrophobicContact CB-CD2 4.06Å; C982-F985 HydrophobicContact CB-CE2 4.22Å; C982-F985 PolarHBondContact O-N 2.87Å; F985-K988 HydrophobicContact CD1-CD 4.41Å; F985-K988 HydrophobicContact CD1-CG 4.29Å | ||
| 986 | I | 24.1 | Very low | 24.4 | Very low | 113 Ų | 113 | 123.6 Ų | 123.6 | 58% | 0.579 | 64% | 0.636 | S | S | * | * | cis | -128.6 | 94.9 | 41.9 | -51.5 | 174.1 | 0 | 0 | 0 | 112.4 | F395 K988 | F395-I986 HydrophobicContact CE1-CB 4.34Å; F395-I986 HydrophobicContact CE1-CG2 4.45Å; F395-I986 HydrophobicContact CZ-CB 4.35Å; F395-I986 HydrophobicContact CZ-CD1 4.12Å; F395-I986 HydrophobicContact CZ-CG2 4.3Å; I986-K988 HydrophobicContact CG2-CB 4.11Å | ||
| 987 | L | 24.1 | Very low | 24.6 | Very low | 174 Ų | 174 | 123.4 Ų | 123.4 | 91% | 0.911 | 63% | 0.627 | S | S | * | * | trans | -104.6 | 34.4 | 146.7 | -85.8 | 173.4 | 0 | 0 | 0 | 111 | N989 | L987-N989 PolarHBondContact O-N 3.05Š| ||
| 988 | K | 22.2 | Very low | 24.7 | Very low | 140 Ų | 140 | 118.7 Ų | 118.7 | 61% | 0.609 | 61% | 0.612 | S | S | * | * | trans | -76.4 | 100.5 | 173.6 | -76.2 | -174.6 | 170.1 | -177.7 | 0 | 110.8 | F985 I986 Q990 | F985-K988 HydrophobicContact CD1-CD 4.41Å; F985-K988 HydrophobicContact CD1-CG 4.29Å; I986-K988 HydrophobicContact CG2-CB 4.11Å; K988-Q990 PolarHBondContact O-N 3.44Å | ||
| 989 | N | 23.5 | Very low | 24.9 | Very low | 112 Ų | 112 | 122 Ų | 122 | 60% | 0.599 | 62% | 0.617 | S | S | * | * | trans | 49.5 | 65.7 | 145.8 | -59.5 | -14.7 | 0 | 0 | 0 | 118 | L987 | L987-N989 PolarHBondContact O-N 3.05Š| ||
| 990 | Q | 23.4 | Very low | 24.9 | Very low | 172 Ų | 172 | 115 Ų | 115 | 80% | 0.804 | 59% | 0.59 | S | S | * | * | trans | -120.1 | 82.5 | 158.6 | -65.4 | -160 | 13.5 | 0 | 0 | 112.9 | K988 V992 | K988-Q990 PolarHBondContact O-N 3.44Å; Q990-V992 PolarHBondContact O-N 3.42Å | ||
| 991 | R | 23.5 | Very low | 25.2 | Very low | 113 Ų | 113 | 113.7 Ų | 113.7 | 43% | 0.426 | 58% | 0.577 | S | S | . | * | trans | 62.4 | 10.8 | 139.9 | -68.6 | -176 | 162 | -168.3 | -8.5 | 122.4 | L827 L828 K993 | L827-R991 VanDerWaalsContact C-NH2 3.25Å; L827-R991 VanDerWaalsContact CB-NH2 3.33Å; L827-R991 VanDerWaalsContact O-CZ 3.28Å; L827-R991 PolarHBondContact O-NH1 3.04Å; L827-R991 PolarHBondContact O-NH2 3.23Å; L828-R991 PolarHBondContact O-NH2 3.28Å; R991-K993 PolarHBondContact O-N 3.29Å | ||
| 992 | V | 25.8 | Very low | 25.3 | Very low | 128 Ų | 128 | 111.4 Ų | 111.4 | 78% | 0.776 | 56% | 0.562 | S | S | * | * | trans | -75.6 | 49.4 | 169.7 | -159.5 | 0 | 0 | 0 | 0 | 112.7 | Q990 | Q990-V992 PolarHBondContact O-N 3.42Š| ||
| 993 | K | 25.5 | Very low | 25.5 | Very low | 138 Ų | 138 | 112.2 Ų | 112.2 | 60% | 0.6 | 56% | 0.559 | S | S | * | * | trans | -118.4 | 22.4 | -172.8 | -81.9 | -172.6 | 175.4 | 176.8 | 0 | 114.3 | R991 | R991-K993 PolarHBondContact O-N 3.29Š| ||
| 994 | S | 31 | Very low | 25.5 | Very low | 44 Ų | 44 | 111.4 Ų | 111.4 | 31% | 0.308 | 55% | 0.551 | S | S | . | * | S | Bend | trans | -141.9 | 9.3 | -171.8 | 82.7 | 0 | 0 | 0 | 0 | 118.9 | R945 | R945-S994 PolarHBondContact NE-O 3.43Å; R945-S994 PolarHBondContact NH2-O 3.04Å; R945-S994 PolarHBondContact NH2-OG 3.47Å |
| 995 | L | 30.9 | Very low | 25.4 | Very low | 50 Ų | 50 | 107 Ų | 107 | 26% | 0.262 | 54% | 0.54 | S | S | . | . | S | Bend | trans | -124.6 | 138.1 | 172.4 | -77.8 | 169.1 | 0 | 0 | 0 | 110.2 | L259 I997 | L259-L995 HydrophobicContact CD2-CD1 4.27Å; L995-I997 PolarHBondContact O-N 3.43Å; L995-I997 VanDerWaalsContact O-N 3.09Å |
| 996 | P | 27.1 | Very low | 25.4 | Very low | 74 Ų | 74 | 107 Ų | 107 | 48% | 0.481 | 55% | 0.55 | S | S | . | * | trans | -74.6 | 98.5 | 176.1 | 30.2 | -33 | 0 | 0 | 0 | 110.4 | V998 | P996-V998 PolarHBondContact O-N 2.91Š| ||
| 997 | I | 27.2 | Very low | 25.5 | Very low | 91 Ų | 91 | 108.1 Ų | 108.1 | 47% | 0.467 | 56% | 0.557 | S | S | . | * | B | Isolated β-bridge | trans | -81.1 | 96.2 | 171.8 | -51.5 | 176.6 | 0 | 0 | 0 | 108.3 | L995 K999 | L995-I997 PolarHBondContact O-N 3.43Å; L995-I997 VanDerWaalsContact O-N 3.09Å; I997-K999 HydrophobicContact CG2-CG 3.99Å; I997-K999 PolarHBondContact O-N 2.98Å; I997-K999 VanDerWaalsContact O-N 3.15Å |
| 998 | V | 26.5 | Very low | 25.6 | Very low | 79 Ų | 79 | 108 Ų | 108 | 48% | 0.479 | 55% | 0.552 | S | S | . | * | trans | -72 | 104.6 | 178.6 | -179.1 | 0 | 0 | 0 | 0 | 109.5 | P996 N1000 | P996-V998 PolarHBondContact O-N 2.91Å; V998-N1000 VanDerWaalsContact CG1-OD1 3.31Å; V998-N1000 WeakPolarHBondContact CG1-OD1 3.31Å | ||
| 999 | K | 25.9 | Very low | 25.5 | Very low | 169 Ų | 169 | 109.1 Ų | 109.1 | 74% | 0.735 | 57% | 0.565 | S | S | * | * | trans | -109 | 111.5 | 178.8 | -64.8 | -177.7 | -178.4 | 176.7 | 0 | 110.1 | I997 | I997-K999 HydrophobicContact CG2-CG 3.99Å; I997-K999 PolarHBondContact O-N 2.98Å; I997-K999 VanDerWaalsContact O-N 3.15Å | ||
| 1000 | N | 24.7 | Very low | 25.5 | Very low | 66 Ų | 66 | 114.2 Ų | 114.2 | 35% | 0.353 | 58% | 0.576 | S | S | . | * | trans | -104.6 | 99.9 | -174.5 | -65.5 | -3.6 | 0 | 0 | 0 | 112.1 | V998 | V998-N1000 VanDerWaalsContact CG1-OD1 3.31Å; V998-N1000 WeakPolarHBondContact CG1-OD1 3.31Å | ||
| 1001 | Y | 27.1 | Very low | 25.4 | Very low | 103 Ų | 103 | 112.1 Ų | 112.1 | 40% | 0.404 | 58% | 0.58 | S | S | . | * | trans | -170.2 | 176.6 | 178.2 | -89.4 | -56.8 | 0 | 0 | 0 | 109.5 | F172 R174 I266 | F172-Y1001 CarbonylContact O-C 3.56Å; R174-Y1001 HydrophobicContact CG-CE1 4.33Å; R174-Y1001 PolarHBondContact NH2-OH 2.81Å; I266-Y1001 HydrophobicContact CD1-CD2 4.39Å; I266-Y1001 HydrophobicContact CD1-CE2 3.63Å; I266-Y1001 HydrophobicContact CG1-CE2 3.94Å; I266-Y1001 WeakPolarHBondContact CG2-OH 3.26Å | ||
| 1002 | P | 25.8 | Very low | 25.4 | Very low | 45 Ų | 45 | 113 Ų | 113 | 29% | 0.292 | 59% | 0.592 | S | S | . | * | cis | -120.3 | 167.7 | 2.5 | 42.8 | -38.2 | 0 | 0 | 0 | 119.3 | P170 F172 P173 | P170-P1002 VanDerWaalsContact C-CG 3.45Å; P170-P1002 WeakPolarHBondContact O-CG 3.39Å; F172-P1002 CarbonylContact C-O 3.5Å; F172-P1002 VanDerWaalsContact CA-O 3.28Å; F172-P1002 WeakPolarHBondContact CA-O 3.48Å; F172-P1002 VanDerWaalsContact N-CD 3.33Å; F172-P1002 PolarHBondContact N-O 3.16Å; F172-P1002 CarbonylContact O-C 3.54Å; P173-P1002 VanDerWaalsContact N-O 3.15Å | ||
| 1003 | I | 25.9 | Very low | 25.2 | Very low | 111 Ų | 111 | 114.7 Ų | 114.7 | 57% | 0.569 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 150.8 | -176.9 | -62.7 | 163.8 | 0 | 0 | 0 | 113.9 | ||
| 1004 | H | 24.2 | Very low | 25 | Very low | 109 Ų | 109 | 116.6 Ų | 116.6 | 51% | 0.505 | 61% | 0.607 | S | S | . | * | P | Polyproline II helix | trans | -59.7 | 155.5 | 174.4 | -83.2 | -80.6 | 0 | 0 | 0 | 114.7 | P173 | P173-H1004 WeakPolarHBondContact CG-CD2 3.47Š|
| 1005 | S | 22.4 | Very low | 24.6 | Very low | 90 Ų | 90 | 118.6 Ų | 118.6 | 63% | 0.629 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -98.2 | 128.5 | 167.8 | 55.4 | 0 | 0 | 0 | 0 | 112.4 | ||
| 1006 | T | 23.5 | Very low | 24.2 | Very low | 125 Ų | 125 | 126.4 Ų | 126.4 | 77% | 0.767 | 65% | 0.653 | S | S | * | * | trans | -138.2 | 156.4 | 154.2 | 45.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1007 | N | 25.1 | Very low | 23.9 | Very low | 137 Ų | 137 | 133 Ų | 133 | 73% | 0.733 | 67% | 0.668 | S | S | * | * | S | Bend | trans | 75.7 | 114.6 | 168.3 | -62.3 | -1.6 | 0 | 0 | 0 | 119.4 | ||
| 1008 | H | 26 | Very low | 23.7 | Very low | 171 Ų | 171 | 133.4 Ų | 133.4 | 79% | 0.792 | 68% | 0.679 | S | S | * | * | trans | 73.6 | 105 | 151.6 | -53.4 | -49.4 | 0 | 0 | 0 | 120.9 | R1010 | H1008-R1010 PolarHBondContact O-N 3.29Å; H1008-R1010 VanDerWaalsContact O-N 3.12Å | ||
| 1009 | N | 21.3 | Very low | 23.7 | Very low | 164 Ų | 164 | 136.9 Ų | 136.9 | 88% | 0.877 | 70% | 0.695 | S | S | * | * | trans | -24.8 | 106.8 | 135 | -62.6 | -12 | 0 | 0 | 0 | 113.4 | ||||
| 1010 | R | 23.1 | Very low | 23.6 | Very low | 220 Ų | 220 | 136.4 Ų | 136.4 | 83% | 0.83 | 69% | 0.693 | S | S | * | * | trans | -158.7 | 108 | 145.7 | -113.5 | 167 | -166.7 | -171.3 | 2.9 | 110.7 | H1008 I1012 | H1008-R1010 PolarHBondContact O-N 3.29Å; H1008-R1010 VanDerWaalsContact O-N 3.12Å; R1010-I1012 HydrophobicContact CB-CD1 4.33Å; R1010-I1012 HydrophobicContact CB-CG1 4.27Å; R1010-I1012 PolarHBondContact O-N 3.49Å; R1010-I1012 VanDerWaalsContact O-N 3.09Å | ||
| 1011 | S | 20.6 | Very low | 23.7 | Very low | 127 Ų | 127 | 140.1 Ų | 140.1 | 89% | 0.888 | 71% | 0.713 | S | S | * | * | trans | -64.7 | 98.2 | 168.7 | 32.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 1012 | I | 23.1 | Very low | 23.5 | Very low | 132 Ų | 132 | 140.4 Ų | 140.4 | 68% | 0.677 | 73% | 0.726 | S | S | * | * | trans | -119.1 | 89.1 | 175.4 | -56.9 | -178.9 | 0 | 0 | 0 | 109.7 | R1010 | R1010-I1012 HydrophobicContact CB-CD1 4.33Å; R1010-I1012 HydrophobicContact CB-CG1 4.27Å; R1010-I1012 PolarHBondContact O-N 3.49Å; R1010-I1012 VanDerWaalsContact O-N 3.09Å | ||
| 1013 | Q | 21.7 | Very low | 23.5 | Very low | 164 Ų | 164 | 147 Ų | 147 | 77% | 0.766 | 75% | 0.749 | S | S | * | * | trans | 27.1 | 100.6 | 140.7 | -62.9 | 171.5 | -21.2 | 0 | 0 | 117.3 | ||||
| 1014 | L | 22.2 | Very low | 23.4 | Very low | 177 Ų | 177 | 145.7 Ų | 145.7 | 93% | 0.927 | 75% | 0.751 | S | S | * | * | -98.4 | 98.3 | 124.1 | -79.5 | 176.3 | 0 | 0 | 0 | 106.7 | F1016 | L1014-F1016 PolarHBondContact O-N 3.3Š| |||
| 1015 | S | 22 | Very low | 23.4 | Very low | 86 Ų | 86 | 149 Ų | 149 | 60% | 0.601 | 76% | 0.764 | S | S | * | * | trans | -69.3 | 115.3 | -174.7 | 50.1 | 0 | 0 | 0 | 0 | 111.3 | R1017 | S1015-R1017 PolarHBondContact O-N 3.5Š| ||
| 1016 | F | 21.9 | Very low | 23.5 | Very low | 215 Ų | 215 | 149.8 Ų | 149.8 | 94% | 0.943 | 76% | 0.761 | S | S | * | * | trans | -62.4 | 96.2 | 143.6 | -75.4 | -90.9 | 0 | 0 | 0 | 107.4 | L1014 | L1014-F1016 PolarHBondContact O-N 3.3Š| ||
| 1017 | R | 21.9 | Very low | 23.7 | Very low | 212 Ų | 212 | 151.4 Ų | 151.4 | 80% | 0.8 | 76% | 0.759 | S | S | * | * | trans | -129.5 | 115.2 | 156.8 | -88.5 | -165.7 | 171.9 | -178.3 | -3.4 | 109 | S1015 | S1015-R1017 PolarHBondContact O-N 3.5Š| ||
| 1018 | S | 23.3 | Very low | 23.8 | Very low | 99 Ų | 99 | 149.2 Ų | 149.2 | 69% | 0.692 | 76% | 0.755 | S | S | * | * | trans | -52.4 | 143.1 | 146.1 | 49.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1019 | D | 25.8 | Very low | 23.8 | Very low | 153 Ų | 153 | 148.1 Ų | 148.1 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | trans | -141.8 | 123.1 | 131 | -91.9 | -45.3 | 0 | 0 | 0 | 109 | ||||
| 1020 | K | 25.1 | Very low | 24 | Very low | 159 Ų | 159 | 145.8 Ų | 145.8 | 69% | 0.691 | 75% | 0.75 | S | S | * | * | trans | -82.7 | 136.7 | 162.1 | -54.8 | 165.6 | -174.5 | 167.7 | 0 | 105.3 | ||||
| 1021 | N | 25.2 | Very low | 24.3 | Very low | 143 Ų | 143 | 140.1 Ų | 140.1 | 77% | 0.765 | 74% | 0.742 | S | S | * | * | trans | -172.6 | 148.2 | 131.6 | -104.2 | -35.9 | 0 | 0 | 0 | 114 | ||||
| 1022 | T | 24.5 | Very low | 24.5 | Very low | 110 Ų | 110 | 141.1 Ų | 141.1 | 68% | 0.675 | 73% | 0.734 | S | S | * | * | trans | 60.2 | 136.2 | 151.9 | 53.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1023 | K | 24.8 | Very low | 24.7 | Very low | 182 Ų | 182 | 141 Ų | 141 | 79% | 0.791 | 74% | 0.735 | S | S | * | * | cis | -166.8 | 151.8 | -19 | -130.4 | 175.2 | -165.4 | 175.9 | 0 | 109.7 | ||||
| 1024 | S | 23.5 | Very low | 24.8 | Very low | 85 Ų | 85 | 138.3 Ų | 138.3 | 59% | 0.594 | 73% | 0.73 | S | S | * | * | trans | 65.4 | 155 | 143.4 | 62.8 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1025 | F | 24.2 | Very low | 24.9 | Very low | 178 Ų | 178 | 134.6 Ų | 134.6 | 78% | 0.781 | 72% | 0.719 | S | S | * | * | trans | 68 | 120.7 | 164.9 | -58.2 | -70.9 | 0 | 0 | 0 | 119.6 | ||||
| 1026 | D | 25.3 | Very low | 25.1 | Very low | 106 Ų | 106 | 138.7 Ų | 138.7 | 57% | 0.567 | 73% | 0.726 | S | S | * | * | cis | -165.8 | 166.5 | -26.9 | -132.4 | -28.3 | 0 | 0 | 0 | 111.4 | ||||
| 1027 | H | 27.1 | Very low | 25.2 | Very low | 160 Ų | 160 | 135 Ų | 135 | 74% | 0.741 | 72% | 0.716 | S | S | * | * | trans | 62 | 142.8 | 151.8 | -64.3 | 2.7 | 0 | 0 | 0 | 119.3 | ||||
| 1028 | S | 26.5 | Very low | 25.5 | Very low | 91 Ų | 91 | 133.8 Ų | 133.8 | 64% | 0.636 | 72% | 0.719 | S | S | * | * | cis | -163.6 | 173.8 | -10.3 | 53.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1029 | N | 27 | Very low | 25.5 | Very low | 148 Ų | 148 | 136.1 Ų | 136.1 | 79% | 0.791 | 72% | 0.719 | S | S | * | * | trans | 73.8 | 73.9 | 154.8 | -58.4 | -15.4 | 0 | 0 | 0 | 120 | ||||
| 1030 | C | 25.1 | Very low | 25.5 | Very low | 114 Ų | 114 | 134.4 Ų | 134.4 | 77% | 0.77 | 72% | 0.716 | S | S | * | * | -24.2 | 170.8 | 107.9 | -63.9 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 1031 | P | 30 | Very low | 25.4 | Very low | 101 Ų | 101 | 133.3 Ų | 133.3 | 66% | 0.656 | 72% | 0.717 | S | S | * | * | cis | -156.8 | -167.4 | 37.6 | 36.7 | -9.6 | 0 | 0 | 0 | 118.4 | ||||
| 1032 | M | 24.3 | Very low | 25.3 | Very low | 149 Ų | 149 | 137.7 Ų | 137.7 | 73% | 0.734 | 72% | 0.723 | S | S | * | * | trans | 71.9 | 142.2 | 159.5 | -57.4 | -35.7 | 175.3 | 0 | 0 | 118.1 | ||||
| 1033 | N | 26.7 | Very low | 25.4 | Very low | 130 Ų | 130 | 137.5 Ų | 137.5 | 70% | 0.695 | 73% | 0.726 | S | S | * | * | cis | -125 | 142.6 | -0.2 | -83.4 | -48.4 | 0 | 0 | 0 | 107.9 | ||||
| 1034 | T | 24.2 | Very low | 25.5 | Very low | 106 Ų | 106 | 133.6 Ų | 133.6 | 65% | 0.65 | 72% | 0.719 | S | S | * | * | 44 | 138.9 | 76.7 | 76.6 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 1035 | S | 24.9 | Very low | 25.5 | Very low | 100 Ų | 100 | 135.7 Ų | 135.7 | 70% | 0.699 | 72% | 0.724 | S | S | * | * | cis | -178.4 | 170.5 | 25.4 | 15.9 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1036 | K | 25.8 | Very low | 25.5 | Very low | 172 Ų | 172 | 136.6 Ų | 136.6 | 75% | 0.748 | 72% | 0.722 | S | S | * | * | cis | -167.9 | 145.3 | -1.3 | -111.4 | 165.4 | -178.2 | 179.9 | 0 | 106.9 | ||||
| 1037 | N | 24.5 | Very low | 25.4 | Very low | 138 Ų | 138 | 137.9 Ų | 137.9 | 74% | 0.738 | 73% | 0.729 | S | S | * | * | trans | 58.6 | 169 | 140.9 | -49.1 | 4 | 0 | 0 | 0 | 118.3 | ||||
| 1038 | E | 28.4 | Very low | 25.1 | Very low | 186 Ų | 186 | 135.6 Ų | 135.6 | 87% | 0.869 | 73% | 0.73 | S | S | * | * | cis | -134.9 | 144.4 | 14.4 | -68.9 | 173.4 | 158.5 | 0 | 0 | 113 | ||||
| 1039 | E | 23.5 | Very low | 24.9 | Very low | 148 Ų | 148 | 136 Ų | 136 | 69% | 0.692 | 73% | 0.733 | S | S | * | * | trans | -95.9 | 172.2 | 163.8 | -57.9 | -177.6 | 139.2 | 0 | 0 | 109.9 | ||||
| 1040 | P | 25.3 | Very low | 24.6 | Very low | 116 Ų | 116 | 137.6 Ų | 137.6 | 75% | 0.753 | 73% | 0.733 | S | S | * | * | -148.3 | 126.4 | 98.1 | 33.3 | -14.8 | 0 | 0 | 0 | 117.2 | |||||
| 1041 | L | 22.4 | Very low | 24.4 | Very low | 137 Ų | 137 | 138.3 Ų | 138.3 | 72% | 0.717 | 73% | 0.729 | S | S | * | * | 39.5 | 123.5 | 115.9 | -57.1 | 165.6 | 0 | 0 | 0 | 120.2 | |||||
| 1042 | R | 24.2 | Very low | 24.1 | Very low | 234 Ų | 234 | 139.5 Ų | 139.5 | 88% | 0.883 | 73% | 0.73 | S | S | * | * | -179.4 | 106.1 | 107 | -99.8 | 177.3 | -179.1 | -158.5 | 0.1 | 115 | |||||
| 1043 | S | 25 | Very low | 23.9 | Very low | 106 Ų | 106 | 141.6 Ų | 141.6 | 74% | 0.741 | 73% | 0.731 | S | S | * | * | 55.2 | 162 | 125.5 | 72 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 1044 | P | 27 | Very low | 23.8 | Very low | 100 Ų | 100 | 140.3 Ų | 140.3 | 65% | 0.649 | 72% | 0.723 | S | S | * | * | cis | -135 | 168.1 | 2.4 | 42.7 | -27.3 | 0 | 0 | 0 | 116.5 | ||||
| 1045 | N | 23.8 | Very low | 23.6 | Very low | 129 Ų | 129 | 139 Ų | 139 | 69% | 0.69 | 71% | 0.712 | S | S | * | * | trans | 65.3 | 146 | 149.7 | -64.7 | -25.2 | 0 | 0 | 0 | 119.3 | ||||
| 1046 | R | 23.9 | Very low | 23.6 | Very low | 198 Ų | 198 | 137.1 Ų | 137.1 | 75% | 0.747 | 70% | 0.696 | S | S | * | * | cis | -160.8 | 149.2 | -3.7 | -116.9 | 167.3 | -165.2 | -174.4 | 0.4 | 110.3 | ||||
| 1047 | N | 24.1 | Very low | 23.4 | Very low | 132 Ų | 132 | 133.9 Ų | 133.9 | 71% | 0.706 | 68% | 0.684 | S | S | * | * | trans | 59.8 | 127.8 | 158.9 | -54.7 | 4.2 | 0 | 0 | 0 | 117.1 | ||||
| 1048 | C | 20.7 | Very low | 23.3 | Very low | 112 Ų | 112 | 133 Ų | 133 | 76% | 0.757 | 68% | 0.679 | S | S | * | * | cis | 75 | 146.5 | 29.8 | -51 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1049 | S | 21.4 | Very low | 23 | Very low | 101 Ų | 101 | 127.5 Ų | 127.5 | 71% | 0.706 | 66% | 0.661 | S | S | * | * | trans | 62.8 | 151.8 | 163.9 | 33.1 | 0 | 0 | 0 | 0 | 117 | ||||
| 1050 | F | 21.1 | Very low | 23 | Very low | 181 Ų | 181 | 126.7 Ų | 126.7 | 79% | 0.794 | 66% | 0.657 | S | S | * | * | cis | 162.3 | 155.9 | -20.7 | -119.4 | -73.9 | 0 | 0 | 0 | 103.4 | ||||
| 1051 | D | 21.4 | Very low | 22.9 | Very low | 128 Ų | 128 | 128.2 Ų | 128.2 | 68% | 0.684 | 65% | 0.652 | S | S | * | * | trans | 66.4 | 163.8 | 152.6 | -60 | -36.5 | 0 | 0 | 0 | 122.2 | ||||
| 1052 | D | 23 | Very low | 22.9 | Very low | 127 Ų | 127 | 127.8 Ų | 127.8 | 68% | 0.679 | 65% | 0.65 | S | S | * | * | trans | 65.2 | 135.9 | 173.1 | -53.6 | -32.6 | 0 | 0 | 0 | 119 | ||||
| 1053 | Y | 21.7 | Very low | 22.9 | Very low | 193 Ų | 193 | 125 Ų | 125 | 76% | 0.757 | 64% | 0.644 | S | S | * | * | cis | 66.7 | 156.9 | 37.4 | -62.6 | -88.6 | 0 | 0 | 0 | 111 | ||||
| 1054 | I | 22.7 | Very low | 22.8 | Very low | 103 Ų | 103 | 124.6 Ų | 124.6 | 53% | 0.528 | 64% | 0.642 | S | S | . | * | cis | -166.6 | 160.9 | 32.8 | -153.3 | 149.2 | 0 | 0 | 0 | 114.5 | S1156 E1157 | I1054-S1156 WeakPolarHBondContact O-CB 3.31Å; I1054-S1156 PolarHBondContact O-OG 2.81Å; I1054-E1157 WeakPolarHBondContact CA-OE1 3.49Å | ||
| 1055 | L | 21.7 | Very low | 22.6 | Very low | 77 Ų | 77 | 125.8 Ų | 125.8 | 40% | 0.403 | 65% | 0.647 | S | S | . | * | trans | 51.3 | 154.6 | 151.2 | -81.6 | 168.3 | 0 | 0 | 0 | 125.7 | S1156 E1157 | L1055-S1156 WeakPolarHBondContact O-CB 3.5Å; L1055-S1156 PolarHBondContact O-OG 3.4Å; L1055-E1157 VanDerWaalsContact C-N 3.34Å; L1055-E1157 VanDerWaalsContact N-CG 3.33Å; L1055-E1157 PolarHBondContact N-OE1 3.36Å | ||
| 1056 | V | 23.4 | Very low | 22.6 | Very low | 62 Ų | 62 | 127.5 Ų | 127.5 | 38% | 0.376 | 65% | 0.651 | S | S | . | * | trans | 78 | 130.1 | 165.3 | -176.1 | 0 | 0 | 0 | 0 | 117.5 | I1155 S1156 E1157 | V1056-I1155 HydrophobicContact CB-CG2 3.54Å; V1056-I1155 HydrophobicContact CG1-CG2 3.81Å; V1056-I1155 HydrophobicContact CG2-CG2 4.45Å; V1056-I1155 CarbonylContact O-C 3.43Å; V1056-S1156 CarbonylContact O-C 2.78Å; V1056-E1157 VanDerWaalsContact C-N 3.27Å; V1056-E1157 CarbonylContact C-O 3.57Å; V1056-E1157 PolarHBondContact O-N 2.99Å | ||
| 1057 | Q | 22.5 | Very low | 22.6 | Very low | 104 Ų | 104 | 127.3 Ų | 127.3 | 49% | 0.486 | 66% | 0.655 | S | S | . | * | cis | 175.1 | 174.4 | -29.8 | -109 | 161.3 | -5.8 | 0 | 0 | 110.1 | E1157 | Q1057-E1157 WeakPolarHBondContact CA-O 3.29Å; Q1057-E1157 PolarHBondContact N-O 3.04Å | ||
| 1058 | N | 23 | Very low | 22.5 | Very low | 120 Ų | 120 | 124.8 Ų | 124.8 | 64% | 0.642 | 65% | 0.648 | S | S | * | * | trans | 77.2 | 114.6 | 159.9 | -57 | -48.2 | 0 | 0 | 0 | 116.3 | ||||
| 1059 | S | 21.6 | Very low | 22.6 | Very low | 70 Ų | 70 | 126 Ų | 126 | 49% | 0.49 | 65% | 0.647 | S | S | . | * | cis | 87.2 | 177 | 40.1 | 85.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1060 | E | 23.1 | Very low | 22.6 | Very low | 130 Ų | 130 | 127.2 Ų | 127.2 | 61% | 0.607 | 65% | 0.645 | S | S | * | * | trans | 65.1 | 91.4 | -178.6 | -49.7 | -75.9 | 112.3 | 0 | 0 | 114.6 | ||||
| 1061 | K | 22.9 | Very low | 22.6 | Very low | 149 Ų | 149 | 123.9 Ų | 123.9 | 65% | 0.648 | 63% | 0.634 | S | S | * | * | 77.1 | 146 | 86.9 | -74.6 | 168.6 | -168.1 | 148.7 | 0 | 114.7 | |||||
| 1062 | N | 22.9 | Very low | 22.5 | Very low | 127 Ų | 127 | 124.6 Ų | 124.6 | 68% | 0.679 | 64% | 0.638 | S | S | * | * | trans | 73.3 | 141.9 | 170.8 | -49.9 | -70.9 | 0 | 0 | 0 | 115.1 | ||||
| 1063 | K | 24.4 | Very low | 22.4 | Very low | 175 Ų | 175 | 125.5 Ų | 125.5 | 76% | 0.761 | 64% | 0.638 | S | S | * | * | cis | -156.3 | 153.2 | -9.8 | -119 | 162.6 | -168.9 | 162.7 | 0 | 109.3 | ||||
| 1064 | S | 22.9 | Very low | 22.4 | Very low | 99 Ų | 99 | 123.1 Ų | 123.1 | 69% | 0.692 | 63% | 0.634 | S | S | * | * | trans | 10.5 | 138.8 | 147.1 | 62.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1065 | V | 22.9 | Very low | 22.3 | Very low | 125 Ų | 125 | 124 Ų | 124 | 76% | 0.758 | 64% | 0.644 | S | S | * | * | -158.8 | 155 | 57.6 | 162.5 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 1066 | H | 23.3 | Very low | 22.3 | Very low | 165 Ų | 165 | 126.3 Ų | 126.3 | 76% | 0.764 | 66% | 0.662 | S | S | * | * | trans | -34.4 | 148.1 | 165.3 | -45.6 | -91.1 | 0 | 0 | 0 | 114.9 | ||||
| 1067 | K | 23.9 | Very low | 22.4 | Very low | 193 Ų | 193 | 129.4 Ų | 129.4 | 84% | 0.839 | 68% | 0.68 | S | S | * | * | -162.1 | 143.9 | 58.9 | -89 | 169.2 | 179.6 | 172 | 0 | 108.5 | |||||
| 1068 | S | 22 | Very low | 22.5 | Very low | 79 Ų | 79 | 130.1 Ų | 130.1 | 55% | 0.552 | 70% | 0.697 | S | S | * | * | cis | 68.5 | 131 | 30 | 82.8 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1069 | N | 22.4 | Very low | 22.6 | Very low | 138 Ų | 138 | 127.7 Ų | 127.7 | 74% | 0.738 | 70% | 0.7 | S | S | * | * | trans | 80.8 | 126.4 | 173.4 | -55.2 | -4.5 | 0 | 0 | 0 | 113.9 | ||||
| 1070 | L | 22.3 | Very low | 22.6 | Very low | 126 Ų | 126 | 129.7 Ų | 129.7 | 66% | 0.66 | 71% | 0.713 | S | S | * | * | 70.6 | 129.4 | 63.3 | -88.7 | 76.4 | 0 | 0 | 0 | 113 | |||||
| 1071 | L | 19.8 | Very low | 22.8 | Very low | 111 Ų | 111 | 128.7 Ų | 128.7 | 58% | 0.581 | 72% | 0.72 | S | S | * | * | trans | 29.8 | 122.8 | 146.9 | -67.7 | 166.2 | 0 | 0 | 0 | 119.8 | M1222 | L1071-M1222 HydrophobicContact CD1-SD 3.99Å; L1071-M1222 HydrophobicContact CD2-SD 4.15Å | ||
| 1072 | L | 19.9 | Very low | 22.9 | Very low | 144 Ų | 144 | 129.1 Ų | 129.1 | 75% | 0.754 | 73% | 0.725 | S | S | * | * | trans | 77.1 | 140.2 | 144.8 | -69.4 | 163.8 | 0 | 0 | 0 | 120 | ||||
| 1073 | Q | 21.8 | Very low | 23 | Very low | 146 Ų | 146 | 128.1 Ų | 128.1 | 68% | 0.682 | 73% | 0.727 | S | S | * | * | trans | 68.2 | 124 | 153.8 | -74 | 169.7 | -94.4 | 0 | 0 | 121.1 | ||||
| 1074 | E | 21.6 | Very low | 22.8 | Very low | 142 Ų | 142 | 129.6 Ų | 129.6 | 66% | 0.664 | 73% | 0.734 | S | S | * | * | trans | 83.1 | 94.1 | 131.8 | -71.5 | 162.3 | -143.7 | 0 | 0 | 121.6 | ||||
| 1075 | T | 21 | Very low | 23 | Very low | 123 Ų | 123 | 134.7 Ų | 134.7 | 76% | 0.755 | 74% | 0.739 | S | S | * | * | 88.3 | 152.9 | 123.4 | 61.3 | 0 | 0 | 0 | 0 | 122 | |||||
| 1076 | T | 21.7 | Very low | 23.1 | Very low | 125 Ų | 125 | 134.3 Ų | 134.3 | 77% | 0.767 | 73% | 0.733 | S | S | * | * | trans | 78.3 | 93.6 | 159.6 | 47 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1077 | V | 24.2 | Very low | 23.2 | Very low | 126 Ų | 126 | 132.2 Ų | 132.2 | 76% | 0.764 | 73% | 0.727 | S | S | * | * | 72.1 | 116.7 | 112.7 | 172.7 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 1078 | S | 25.2 | Very low | 23.1 | Very low | 119 Ų | 119 | 129.7 Ų | 129.7 | 83% | 0.832 | 72% | 0.723 | S | S | * | * | trans | 70.6 | 143.4 | 151.9 | 72.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1079 | G | 24.3 | Very low | 23.3 | Very low | 69 Ų | 69 | 132.1 Ų | 132.1 | 71% | 0.711 | 73% | 0.734 | S | S | * | * | cis | 168.8 | 154.3 | -11.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1080 | C | 22.8 | Very low | 23.3 | Very low | 112 Ų | 112 | 133.8 Ų | 133.8 | 76% | 0.757 | 74% | 0.738 | S | S | * | * | trans | 53.2 | 157.1 | 163 | -69.8 | 0 | 0 | 0 | 0 | 119.5 | Q1082 | C1080-Q1082 HydrophobicContact CB-CG 4.35Š| ||
| 1081 | S | 26.7 | Very low | 23.4 | Very low | 109 Ų | 109 | 133.7 Ų | 133.7 | 76% | 0.762 | 74% | 0.737 | S | S | * | * | cis | -90.2 | 142.7 | 9.2 | 40.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1082 | Q | 24.8 | Very low | 23.5 | Very low | 159 Ų | 159 | 138.5 Ų | 138.5 | 74% | 0.743 | 75% | 0.747 | S | S | * | * | 64.8 | 133 | 60.6 | -60.5 | -179.8 | 4.6 | 0 | 0 | 112.9 | C1080 | C1080-Q1082 HydrophobicContact CB-CG 4.35Š| |||
| 1083 | S | 25.2 | Very low | 23.7 | Very low | 105 Ų | 105 | 140.6 Ų | 140.6 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | cis | -138 | 132.9 | 23.1 | 51.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1084 | K | 20.3 | Very low | 23.7 | Very low | 207 Ų | 207 | 137.9 Ų | 137.9 | 90% | 0.9 | 75% | 0.752 | S | S | * | * | trans | -136.3 | 126.6 | 139.6 | -94.1 | -169.5 | 174.8 | -176.6 | 0 | 106.4 | ||||
| 1085 | Y | 26.5 | Very low | 23.6 | Very low | 205 Ų | 205 | 138.9 Ų | 138.9 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | -80.1 | 131.7 | 172.8 | -102.7 | -107 | 0 | 0 | 0 | 109.6 | ||||
| 1086 | N | 24.5 | Very low | 23.7 | Very low | 117 Ų | 117 | 138.7 Ų | 138.7 | 63% | 0.626 | 76% | 0.76 | S | S | * | * | 48.8 | 140.5 | 127.8 | -58.9 | 55.4 | 0 | 0 | 0 | 119.6 | |||||
| 1087 | D | 26.4 | Very low | 23.7 | Very low | 122 Ų | 122 | 137.1 Ų | 137.1 | 65% | 0.652 | 75% | 0.754 | S | S | * | * | cis | -160.1 | -173.6 | -6.4 | -130.2 | -48.6 | 0 | 0 | 0 | 113.5 | ||||
| 1088 | N | 22.3 | Very low | 23.6 | Very low | 140 Ų | 140 | 139.8 Ų | 139.8 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | trans | -76.1 | -161.3 | 179 | -62.5 | -89.4 | 0 | 0 | 0 | 114.1 | ||||
| 1089 | V | 25.6 | Very low | 23.5 | Very low | 130 Ų | 130 | 139.5 Ų | 139.5 | 79% | 0.788 | 76% | 0.756 | S | S | * | * | trans | 81.5 | 92.2 | -171.2 | -171.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1090 | E | 23 | Very low | 23.4 | Very low | 172 Ų | 172 | 141.5 Ų | 141.5 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | cis | 68.6 | 150.7 | 48.9 | -151.3 | -174.5 | -143.4 | 0 | 0 | 113.4 | ||||
| 1091 | I | 23.3 | Very low | 23.5 | Very low | 125 Ų | 125 | 143.7 Ų | 143.7 | 64% | 0.641 | 76% | 0.757 | S | S | * | * | trans | 74 | 123.1 | 179.3 | -48.6 | 178.1 | 0 | 0 | 0 | 111.6 | ||||
| 1092 | R | 23.5 | Very low | 23.4 | Very low | 211 Ų | 211 | 145.8 Ų | 145.8 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | cis | -150.1 | 147.8 | 18.9 | -134 | 158.5 | -128.1 | -174 | 3 | 112.8 | ||||
| 1093 | K | 22.8 | Very low | 23.4 | Very low | 188 Ų | 188 | 144 Ų | 144 | 82% | 0.817 | 75% | 0.748 | S | S | * | * | trans | 9.4 | 117.2 | 143.8 | -56.8 | 175.7 | -177.4 | -178.8 | 0 | 116.4 | ||||
| 1094 | A | 21.7 | Very low | 23.5 | Very low | 89 Ų | 89 | 146.4 Ų | 146.4 | 74% | 0.736 | 75% | 0.748 | S | S | * | * | 77.3 | 155.5 | 69.6 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 1095 | L | 20.7 | Very low | 23.7 | Very low | 163 Ų | 163 | 142.3 Ų | 142.3 | 85% | 0.853 | 74% | 0.735 | S | S | * | * | trans | 87.4 | 137.2 | 176.5 | -67.5 | 146.8 | 0 | 0 | 0 | 118.9 | ||||
| 1096 | V | 22.3 | Very low | 23.6 | Very low | 120 Ų | 120 | 139.1 Ų | 139.1 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | trans | 67 | 96.8 | 144.2 | 177.9 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1097 | S | 21 | Very low | 23.6 | Very low | 91 Ų | 91 | 140.3 Ų | 140.3 | 64% | 0.636 | 73% | 0.73 | S | S | * | * | trans | 5.6 | 152.1 | 132.7 | 58.9 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1098 | Q | 23.2 | Very low | 23.5 | Very low | 183 Ų | 183 | 142.4 Ų | 142.4 | 86% | 0.855 | 74% | 0.736 | S | S | * | * | trans | 74.7 | 100 | 151.5 | -74.3 | 174.3 | -16.8 | 0 | 0 | 120.1 | ||||
| 1099 | S | 23.4 | Very low | 23.5 | Very low | 112 Ų | 112 | 142.4 Ų | 142.4 | 78% | 0.783 | 73% | 0.732 | S | S | * | * | 174.8 | 116.3 | 123.9 | 54.9 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 1100 | C | 21.8 | Very low | 23.8 | Very low | 112 Ų | 112 | 141.1 Ų | 141.1 | 76% | 0.757 | 73% | 0.726 | S | S | * | * | 70.3 | 100.8 | 65.8 | -70.8 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 1101 | E | 24 | Very low | 23.8 | Very low | 157 Ų | 157 | 140.9 Ų | 140.9 | 73% | 0.734 | 72% | 0.722 | S | S | * | * | trans | 61.8 | 163.2 | 144.9 | -44 | -169.4 | 155.5 | 0 | 0 | 117.1 | ||||
| 1102 | K | 24.5 | Very low | 23.7 | Very low | 153 Ų | 153 | 142.5 Ų | 142.5 | 67% | 0.665 | 73% | 0.731 | S | S | * | * | cis | -166.8 | -172.6 | 18.3 | -149 | 160.3 | -166.4 | 142.7 | 0 | 110 | ||||
| 1103 | N | 26.4 | Very low | 23.6 | Very low | 122 Ų | 122 | 137.7 Ų | 137.7 | 65% | 0.652 | 73% | 0.73 | S | S | * | * | trans | 72.8 | 149 | 160.4 | -52.9 | -15.8 | 0 | 0 | 0 | 115.1 | ||||
| 1104 | H | 26.7 | Very low | 23.5 | Very low | 156 Ų | 156 | 133.4 Ų | 133.4 | 72% | 0.722 | 72% | 0.724 | S | S | * | * | cis | -175.9 | 173.7 | -17.3 | -102.9 | -37 | 0 | 0 | 0 | 106 | ||||
| 1105 | L | 24.1 | Very low | 23.6 | Very low | 121 Ų | 121 | 135.2 Ų | 135.2 | 63% | 0.634 | 73% | 0.726 | S | S | * | * | cis | -164.2 | 159.4 | 6.6 | -119 | 159.3 | 0 | 0 | 0 | 107.8 | ||||
| 1106 | M | 24 | Very low | 23.6 | Very low | 137 Ų | 137 | 132.1 Ų | 132.1 | 68% | 0.675 | 72% | 0.717 | S | S | * | * | trans | 60.9 | 157.2 | 158.5 | -61 | -28.8 | -158 | 0 | 0 | 119.7 | ||||
| 1107 | E | 24.9 | Very low | 23.8 | Very low | 142 Ų | 142 | 135.6 Ų | 135.6 | 66% | 0.664 | 72% | 0.723 | S | S | * | * | cis | -152.7 | 157 | -17.4 | -118.1 | 156.8 | 168 | 0 | 0 | 112.7 | ||||
| 1108 | H | 24.5 | Very low | 23.8 | Very low | 167 Ų | 167 | 140.4 Ų | 140.4 | 77% | 0.773 | 74% | 0.735 | S | S | * | * | trans | 2.8 | 153.3 | 139.2 | -69.4 | -106.3 | 0 | 0 | 0 | 120.2 | ||||
| 1109 | E | 23.1 | Very low | 23.8 | Very low | 139 Ų | 139 | 136.5 Ų | 136.5 | 65% | 0.65 | 73% | 0.728 | S | S | * | * | cis | -159.5 | 168.7 | 18.8 | -134.2 | -153.5 | -158.6 | 0 | 0 | 111.9 | K1111 | E1109-K1111 IonicContact OE2-NZ 2.65Å; E1109-K1111 PolarHBondContact OE2-NZ 3.16Å | ||
| 1110 | P | 30.5 | Very low | 23.7 | Very low | 103 Ų | 103 | 139.1 Ų | 139.1 | 67% | 0.669 | 73% | 0.732 | S | S | * | * | trans | -115.2 | 151.6 | 179 | 39 | -27.5 | 0 | 0 | 0 | 115.6 | ||||
| 1111 | K | 23.7 | Very low | 23.7 | Very low | 167 Ų | 167 | 136.7 Ų | 136.7 | 73% | 0.726 | 73% | 0.725 | S | S | * | * | trans | -147.2 | 137.6 | 150.8 | -83.4 | 103.8 | -166.7 | 176.4 | 0 | 109.4 | E1109 | E1109-K1111 IonicContact OE2-NZ 2.65Å; E1109-K1111 PolarHBondContact OE2-NZ 3.16Å | ||
| 1112 | L | 20.8 | Very low | 23.6 | Very low | 159 Ų | 159 | 136 Ų | 136 | 83% | 0.832 | 73% | 0.726 | S | S | * | * | cis | 86.4 | 149.7 | 49.4 | -113.3 | 118.5 | 0 | 0 | 0 | 114.7 | ||||
| 1113 | S | 21.5 | Very low | 23.4 | Very low | 110 Ų | 110 | 133.7 Ų | 133.7 | 77% | 0.769 | 72% | 0.717 | S | S | * | * | trans | 76.4 | 147.8 | 171.7 | 79.9 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1114 | S | 21.7 | Very low | 23.2 | Very low | 99 Ų | 99 | 131.3 Ų | 131.3 | 69% | 0.692 | 71% | 0.709 | S | S | * | * | cis | -170.1 | 137 | -20.7 | 49.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 1115 | V | 22.7 | Very low | 23.1 | Very low | 127 Ų | 127 | 126.2 Ų | 126.2 | 77% | 0.77 | 69% | 0.691 | S | S | * | * | 68.5 | 120.8 | 128.3 | 176.7 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 1116 | S | 21.6 | Very low | 23 | Very low | 97 Ų | 97 | 125 Ų | 125 | 68% | 0.678 | 69% | 0.689 | S | S | * | * | trans | 76.8 | 157.5 | 148.6 | 81.9 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1117 | K | 25.1 | Very low | 23 | Very low | 193 Ų | 193 | 120 Ų | 120 | 84% | 0.839 | 67% | 0.669 | S | S | * | * | cis | -127.6 | 146.5 | 13.8 | -69.6 | 175.5 | 179.6 | 172.2 | 0 | 114.7 | ||||
| 1118 | E | 21.7 | Very low | 23 | Very low | 192 Ų | 192 | 118.5 Ų | 118.5 | 90% | 0.897 | 66% | 0.662 | S | S | * | * | trans | -78.4 | 142.1 | 159.6 | -50.5 | 159.2 | 113 | 0 | 0 | 109.6 | ||||
| 1119 | S | 23 | Very low | 22.9 | Very low | 102 Ų | 102 | 116 Ų | 116 | 71% | 0.713 | 65% | 0.654 | S | S | * | * | trans | -176 | 129.7 | 141.2 | 55.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1120 | I | 22.6 | Very low | 22.8 | Very low | 166 Ų | 166 | 116.2 Ų | 116.2 | 85% | 0.851 | 66% | 0.655 | S | S | * | * | 30.3 | 122.9 | 126.2 | -45.9 | 163.1 | 0 | 0 | 0 | 115.9 | |||||
| 1121 | G | 21.5 | Very low | 22.4 | Very low | 61 Ų | 61 | 115.6 Ų | 115.6 | 63% | 0.629 | 65% | 0.651 | S | S | * | * | cis | 145.6 | -175.7 | 13.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1122 | I | 21.6 | Very low | 22.3 | Very low | 144 Ų | 144 | 116.6 Ų | 116.6 | 74% | 0.738 | 65% | 0.651 | S | S | * | * | trans | 72.1 | 117.6 | 168.5 | -56.2 | 174.5 | 0 | 0 | 0 | 113.2 | ||||
| 1123 | Q | 20.7 | Very low | 22.3 | Very low | 103 Ų | 103 | 117.2 Ų | 117.2 | 48% | 0.481 | 64% | 0.642 | S | S | . | * | 51.2 | 117.7 | 102.7 | -94.2 | 167.4 | -58.5 | 0 | 0 | 113.4 | D800 P801 N802 | D800-Q1123 PolarHBondContact OD2-NE2 3.15Å; P801-Q1123 HydrophobicContact CG-CG 4.31Å; N802-Q1123 HydrophobicContact CB-CG 4.02Å | |||
| 1124 | C | 21.6 | Very low | 22.4 | Very low | 73 Ų | 73 | 119 Ų | 119 | 49% | 0.493 | 64% | 0.638 | S | S | . | * | cis | -138.9 | 167.7 | 36.9 | -73.3 | 0 | 0 | 0 | 0 | 117.7 | D800 | D800-C1124 PolarHBondContact OD1-SG 3Š| ||
| 1125 | S | 24.7 | Very low | 22.4 | Very low | 48 Ų | 48 | 118.6 Ų | 118.6 | 34% | 0.336 | 64% | 0.635 | S | S | . | * | trans | -86.6 | -176.8 | 169 | 71.4 | 0 | 0 | 0 | 0 | 110.3 | N799 D800 | N799-S1125 VanDerWaalsContact CA-O 3.31Å; N799-S1125 WeakPolarHBondContact CA-O 3.34Å; N799-S1125 WeakPolarHBondContact CA-OG 3.45Å; N799-S1125 PolarHBondContact O-OG 3.12Å; N799-S1125 PolarHBondContact OD1-O 3.46Å; D800-S1125 PolarHBondContact N-OG 3.2Å; D800-S1125 VanDerWaalsContact N-OG 3.11Å; D800-S1125 VanDerWaalsContact O-CB 3.3Å; D800-S1125 WeakPolarHBondContact O-CB 3.31Å; D800-S1125 PolarHBondContact O-OG 3.23Å | ||
| 1126 | V | 21.8 | Very low | 22.4 | Very low | 97 Ų | 97 | 120 Ų | 120 | 59% | 0.588 | 64% | 0.636 | S | S | * | * | trans | -160.6 | 165 | 157.4 | 85.7 | 0 | 0 | 0 | 0 | 113.2 | E798 | E798-V1126 HydrophobicContact CB-CG2 4.32Å; E798-V1126 HydrophobicContact CG-CG2 3.97Å | ||
| 1127 | A | 23.6 | Very low | 22.4 | Very low | 31 Ų | 31 | 120.1 Ų | 120.1 | 26% | 0.256 | 64% | 0.637 | S | S | . | * | trans | -10.8 | 132.2 | 163.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | E798 L1129 | E798-A1127 HydrophobicContact CG-CB 3.95Å; A1127-L1129 HydrophobicContact CB-CG 4.09Å | ||
| 1128 | E | 24.1 | Very low | 22.3 | Very low | 111 Ų | 111 | 117.9 Ų | 117.9 | 52% | 0.519 | 63% | 0.634 | S | S | . | * | cis | 53.6 | 75.3 | 23.4 | -107.8 | -161.4 | 152.1 | 0 | 0 | 112.8 | P796 T797 | P796-E1128 WeakPolarHBondContact CA-OE1 3.44Å; P796-E1128 VanDerWaalsContact CA-OE2 3.27Å; P796-E1128 WeakPolarHBondContact CA-OE2 3.4Å; P796-E1128 HydrophobicContact CB-CB 3.83Å; P796-E1128 HydrophobicContact CB-CG 3.54Å; P796-E1128 VanDerWaalsContact CB-OE1 3.26Å; P796-E1128 WeakPolarHBondContact CB-OE1 3.46Å; T797-E1128 PolarHBondContact N-OE2 3.06Å; T797-E1128 VanDerWaalsContact N-OE2 3.11Å | ||
| 1129 | L | 22.6 | Very low | 22.3 | Very low | 114 Ų | 114 | 112.8 Ų | 112.8 | 60% | 0.597 | 62% | 0.624 | S | S | * | * | trans | -134.6 | 125.4 | 167.9 | -92 | 172.9 | 0 | 0 | 0 | 110.2 | A1127 | A1127-L1129 HydrophobicContact CB-CG 4.09Š| ||
| 1130 | Q | 22.4 | Very low | 22.3 | Very low | 144 Ų | 144 | 113.2 Ų | 113.2 | 67% | 0.673 | 63% | 0.627 | S | S | * | * | 39.9 | 137.1 | 123.2 | -68.8 | -170.1 | 47.2 | 0 | 0 | 120 | |||||
| 1131 | C | 21 | Very low | 22.3 | Very low | 89 Ų | 89 | 110.5 Ų | 110.5 | 60% | 0.601 | 62% | 0.618 | S | S | * | * | cis | 177.9 | 166 | -7.5 | -134.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 1132 | R | 21.7 | Very low | 22.4 | Very low | 189 Ų | 189 | 115.4 Ų | 115.4 | 71% | 0.713 | 63% | 0.625 | S | S | * | * | trans | 67.4 | 161.3 | 150.1 | -65.9 | 164.6 | -176.4 | -174.4 | 1.2 | 115.7 | ||||
| 1133 | R | 21.1 | Very low | 22.5 | Very low | 171 Ų | 171 | 114 Ų | 114 | 65% | 0.645 | 62% | 0.623 | S | S | * | * | cis | -165.2 | 162.3 | -13.9 | -115.4 | 167.8 | 172.7 | 171.5 | -2.6 | 109.3 | ||||
| 1134 | H | 23.7 | Very low | 22.5 | Very low | 148 Ų | 148 | 116.9 Ų | 116.9 | 69% | 0.685 | 64% | 0.637 | S | S | * | * | trans | 58.2 | 118.7 | 150.8 | -55.9 | 160.4 | 0 | 0 | 0 | 117.5 | ||||
| 1135 | S | 21.6 | Very low | 22.6 | Very low | 91 Ų | 91 | 120 Ų | 120 | 64% | 0.636 | 65% | 0.647 | S | S | * | * | cis | 89.2 | 146.6 | 43 | 75.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 1136 | I | 21.8 | Very low | 22.6 | Very low | 155 Ų | 155 | 122.4 Ų | 122.4 | 80% | 0.795 | 66% | 0.664 | S | S | * | * | trans | 88.7 | 149.1 | 159.2 | -64.9 | 160.2 | 0 | 0 | 0 | 117.4 | ||||
| 1137 | C | 22.8 | Very low | 22.7 | Very low | 101 Ų | 101 | 125.6 Ų | 125.6 | 68% | 0.682 | 68% | 0.678 | S | S | * | * | trans | 76.5 | 91.6 | 170.4 | -73.5 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1138 | D | 21.8 | Very low | 23.2 | Very low | 146 Ų | 146 | 129.4 Ų | 129.4 | 78% | 0.781 | 70% | 0.7 | S | S | * | * | 63.7 | 120.7 | 97.2 | -61.2 | -41.4 | 0 | 0 | 0 | 123.7 | |||||
| 1139 | A | 23.3 | Very low | 23.3 | Very low | 84 Ų | 84 | 133.9 Ų | 133.9 | 69% | 0.694 | 72% | 0.718 | S | S | * | * | 80.4 | 109.1 | 117.5 | 0 | 0 | 0 | 0 | 0 | 123 | |||||
| 1140 | S | 22.6 | Very low | 23.5 | Very low | 111 Ų | 111 | 135.5 Ų | 135.5 | 78% | 0.776 | 73% | 0.725 | S | S | * | * | 84.5 | 178.2 | 114.9 | 77.7 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 1141 | V | 22.9 | Very low | 23.9 | Very low | 109 Ų | 109 | 133.4 Ų | 133.4 | 66% | 0.661 | 72% | 0.724 | S | S | * | * | trans | 92.6 | 95 | 170.7 | -171.2 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1142 | Q | 23.4 | Very low | 24 | Very low | 164 Ų | 164 | 135.1 Ų | 135.1 | 77% | 0.766 | 73% | 0.727 | S | S | * | * | trans | 67.5 | 124 | 137.8 | -66.5 | 168.5 | -13.1 | 0 | 0 | 119 | ||||
| 1143 | T | 23 | Very low | 24.2 | Very low | 116 Ų | 116 | 135.4 Ų | 135.4 | 71% | 0.712 | 73% | 0.734 | S | S | * | * | 60.9 | 141.1 | 70.1 | 73 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1144 | E | 21.8 | Very low | 24.2 | Very low | 162 Ų | 162 | 135.2 Ų | 135.2 | 76% | 0.757 | 74% | 0.74 | S | S | * | * | cis | -166.3 | -163.5 | 26.1 | -152.3 | 162.7 | -107.2 | 0 | 0 | 113 | ||||
| 1145 | I | 23.9 | Very low | 24.2 | Very low | 140 Ų | 140 | 133.5 Ų | 133.5 | 72% | 0.718 | 74% | 0.735 | S | S | * | * | trans | 93 | 101.5 | 150.5 | -68.5 | 149.8 | 0 | 0 | 0 | 121 | ||||
| 1146 | S | 23.3 | Very low | 24.2 | Very low | 98 Ų | 98 | 133 Ų | 133 | 69% | 0.685 | 73% | 0.731 | S | S | * | * | trans | 73.2 | 96.5 | 133.9 | 77.5 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 1147 | N | 24 | Very low | 24.3 | Very low | 164 Ų | 164 | 128.7 Ų | 128.7 | 88% | 0.877 | 71% | 0.708 | S | S | * | * | 62.8 | 154.4 | 106.9 | -85.5 | 1.4 | 0 | 0 | 0 | 124.8 | |||||
| 1148 | P | 34.2 | Very low | 24.3 | Very low | 111 Ų | 111 | 127 Ų | 127 | 72% | 0.721 | 70% | 0.697 | S | S | * | * | trans | -114.8 | -172.7 | -166.6 | 44.8 | -34.6 | 0 | 0 | 0 | 114.6 | ||||
| 1149 | K | 27.4 | Very low | 24.3 | Very low | 205 Ų | 205 | 127.7 Ų | 127.7 | 89% | 0.891 | 70% | 0.696 | S | S | * | * | trans | -151.9 | 127.1 | 152.5 | -111.4 | 161.6 | -172.3 | 177.6 | 0 | 115 | ||||
| 1150 | I | 26.7 | Very low | 24.3 | Very low | 148 Ų | 148 | 134.5 Ų | 134.5 | 76% | 0.759 | 70% | 0.704 | S | S | * | * | trans | -63.4 | -178.3 | 155.7 | 19.2 | 171.9 | 0 | 0 | 0 | 110.7 | ||||
| 1151 | P | 30.4 | Very low | 24.3 | Very low | 100 Ų | 100 | 138.1 Ų | 138.1 | 65% | 0.649 | 71% | 0.706 | S | S | * | * | cis | -139.7 | 169.5 | 14.4 | 15.3 | 13.8 | 0 | 0 | 0 | 119.5 | ||||
| 1152 | D | 23.5 | Very low | 24.4 | Very low | 125 Ų | 125 | 137.3 Ų | 137.3 | 67% | 0.668 | 70% | 0.701 | S | S | * | * | trans | 46.2 | 140.3 | 131.6 | -41.1 | -22.1 | 0 | 0 | 0 | 124 | ||||
| 1153 | F | 24.4 | Very low | 24.4 | Very low | 195 Ų | 195 | 136.6 Ų | 136.6 | 86% | 0.855 | 70% | 0.698 | S | S | * | * | -166.9 | 163 | 97.9 | -108.4 | -79.3 | 0 | 0 | 0 | 112.4 | |||||
| 1154 | E | 22.5 | Very low | 24.4 | Very low | 166 Ų | 166 | 136.3 Ų | 136.3 | 78% | 0.776 | 69% | 0.692 | S | S | * | * | trans | -112.5 | -148.9 | -159.7 | -52.7 | 175.8 | 109.1 | 0 | 0 | 114.8 | ||||
| 1155 | I | 23.2 | Very low | 24.6 | Very low | 113 Ų | 113 | 136.1 Ų | 136.1 | 58% | 0.579 | 69% | 0.691 | S | S | * | * | trans | 104.2 | 58.2 | 159.5 | -49.5 | -176.2 | 0 | 0 | 0 | 117.3 | V1056 | V1056-I1155 HydrophobicContact CB-CG2 3.54Å; V1056-I1155 HydrophobicContact CG1-CG2 3.81Å; V1056-I1155 HydrophobicContact CG2-CG2 4.45Å; V1056-I1155 CarbonylContact O-C 3.43Å | ||
| 1156 | S | 22.4 | Very low | 24.7 | Very low | 79 Ų | 79 | 137 Ų | 137 | 55% | 0.552 | 69% | 0.692 | S | S | * | * | 44.1 | -123 | 120.1 | -13.7 | 0 | 0 | 0 | 0 | 128.9 | I1054 L1055 V1056 | I1054-S1156 WeakPolarHBondContact O-CB 3.31Å; I1054-S1156 PolarHBondContact O-OG 2.81Å; L1055-S1156 WeakPolarHBondContact O-CB 3.5Å; L1055-S1156 PolarHBondContact O-OG 3.4Å; V1056-S1156 CarbonylContact O-C 2.78Å | |||
| 1157 | E | 23.5 | Very low | 24.8 | Very low | 66 Ų | 66 | 139.6 Ų | 139.6 | 31% | 0.308 | 70% | 0.697 | S | S | . | * | trans | -106.2 | 156.7 | -130 | -64 | 176.9 | -158.7 | 0 | 0 | 120.6 | I1054 L1055 V1056 Q1057 | I1054-E1157 WeakPolarHBondContact CA-OE1 3.49Å; L1055-E1157 VanDerWaalsContact C-N 3.34Å; L1055-E1157 VanDerWaalsContact N-CG 3.33Å; L1055-E1157 PolarHBondContact N-OE1 3.36Å; V1056-E1157 VanDerWaalsContact C-N 3.27Å; V1056-E1157 CarbonylContact C-O 3.57Å; V1056-E1157 PolarHBondContact O-N 2.99Å; Q1057-E1157 WeakPolarHBondContact CA-O 3.29Å; Q1057-E1157 PolarHBondContact N-O 3.04Å | ||
| 1158 | S | 21.2 | Very low | 24.8 | Very low | 65 Ų | 65 | 139.2 Ų | 139.2 | 46% | 0.455 | 69% | 0.694 | S | S | . | * | trans | 90.4 | 128.9 | 135.1 | 73.6 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1159 | E | 23.4 | Very low | 24.2 | Very low | 160 Ų | 160 | 138.8 Ų | 138.8 | 75% | 0.748 | 69% | 0.694 | S | S | * | * | -157.5 | 162.1 | 108.8 | -109.8 | 174 | 176.7 | 0 | 0 | 111.8 | |||||
| 1160 | R | 22.4 | Very low | 24.1 | Very low | 228 Ų | 228 | 134.9 Ų | 134.9 | 86% | 0.86 | 69% | 0.687 | S | S | * | * | trans | -115.8 | -152.3 | 172.5 | -69.4 | -175.4 | 176.9 | 174.4 | 1.5 | 108.7 | ||||
| 1161 | F | 22.9 | Very low | 23.9 | Very low | 187 Ų | 187 | 136.5 Ų | 136.5 | 82% | 0.82 | 69% | 0.685 | S | S | * | * | trans | 77.1 | 136.1 | 172.7 | -66.4 | -95.6 | 0 | 0 | 0 | 115.4 | ||||
| 1162 | T | 23.9 | Very low | 23.5 | Very low | 92 Ų | 92 | 140 Ų | 140 | 56% | 0.564 | 70% | 0.698 | S | S | * | * | cis | -156.9 | -176.4 | -23.3 | 6.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1163 | E | 23.5 | Very low | 23.5 | Very low | 149 Ų | 149 | 137.6 Ų | 137.6 | 70% | 0.696 | 69% | 0.691 | S | S | * | * | trans | 70.6 | 144 | 149.7 | -71.3 | 147.3 | -107.9 | 0 | 0 | 117.9 | ||||
| 1164 | N | 24.1 | Very low | 23.4 | Very low | 110 Ų | 110 | 135.3 Ų | 135.3 | 59% | 0.588 | 69% | 0.686 | S | S | * | * | cis | -136.5 | 144.1 | -3.4 | -117.9 | -34 | 0 | 0 | 0 | 114.2 | ||||
| 1165 | Q | 25.1 | Very low | 23.5 | Very low | 157 Ų | 157 | 132 Ų | 132 | 73% | 0.734 | 68% | 0.682 | S | S | * | * | trans | 6.8 | 125.9 | 144.7 | -59 | 163.9 | 18.5 | 0 | 0 | 118.1 | ||||
| 1166 | Q | 26.5 | Very low | 23.5 | Very low | 160 Ų | 160 | 131.3 Ų | 131.3 | 75% | 0.748 | 69% | 0.687 | S | S | * | * | -177.9 | 139.6 | 99.8 | -94.1 | 171.7 | 9.6 | 0 | 0 | 110.7 | |||||
| 1167 | L | 25.4 | Very low | 23.7 | Very low | 151 Ų | 151 | 135.2 Ų | 135.2 | 79% | 0.791 | 70% | 0.702 | S | S | * | * | trans | 47.9 | 109.6 | 162.2 | -52.5 | 173 | 0 | 0 | 0 | 117.4 | ||||
| 1168 | L | 23.5 | Very low | 23.7 | Very low | 156 Ų | 156 | 136.9 Ų | 136.9 | 82% | 0.817 | 72% | 0.718 | S | S | * | * | cis | 66.3 | 138.6 | 9.9 | -137.3 | 88.5 | 0 | 0 | 0 | 117.1 | ||||
| 1169 | S | 23.3 | Very low | 23.8 | Very low | 103 Ų | 103 | 142.2 Ų | 142.2 | 72% | 0.72 | 74% | 0.736 | S | S | * | * | trans | 56.5 | 129.9 | -173.3 | 56.4 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1170 | V | 23.8 | Very low | 23.9 | Very low | 122 Ų | 122 | 140.8 Ų | 140.8 | 74% | 0.739 | 74% | 0.738 | S | S | * | * | -147.7 | 144.8 | 56.3 | 141 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1171 | Y | 22.6 | Very low | 23.9 | Very low | 182 Ų | 182 | 136.6 Ų | 136.6 | 71% | 0.714 | 73% | 0.729 | S | S | * | * | trans | 4.1 | 146 | 157.8 | -60.7 | -92.2 | 0 | 0 | 0 | 121.1 | S1173 | Y1171-S1173 WeakPolarHBondContact CD1-OG 3.48Š| ||
| 1172 | N | 22.1 | Very low | 23.9 | Very low | 174 Ų | 174 | 137.1 Ų | 137.1 | 93% | 0.93 | 73% | 0.725 | S | S | * | * | cis | 66.4 | 44.2 | -4.1 | -121.4 | 33.1 | 0 | 0 | 0 | 119.9 | ||||
| 1173 | S | 23.1 | Very low | 23.8 | Very low | 75 Ų | 75 | 139 Ų | 139 | 52% | 0.524 | 74% | 0.736 | S | S | . | * | trans | -166.5 | 177.3 | 152.9 | 63.3 | 0 | 0 | 0 | 0 | 110.1 | Y1171 | Y1171-S1173 WeakPolarHBondContact CD1-OG 3.48Š| ||
| 1174 | I | 24 | Very low | 23.8 | Very low | 146 Ų | 146 | 138.8 Ų | 138.8 | 75% | 0.749 | 74% | 0.739 | S | S | * | * | trans | 63.5 | 87.2 | 176.2 | -49.2 | 173 | 0 | 0 | 0 | 111.8 | ||||
| 1175 | S | 23.3 | Very low | 23.7 | Very low | 97 Ų | 97 | 138.5 Ų | 138.5 | 68% | 0.678 | 74% | 0.742 | S | S | * | * | cis | 55 | 108.7 | 41.7 | 87.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1176 | S | 23.7 | Very low | 23.6 | Very low | 99 Ų | 99 | 137.8 Ų | 137.8 | 69% | 0.692 | 74% | 0.743 | S | S | * | * | trans | 47.9 | 99.1 | 157.2 | 58.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1177 | N | 25.3 | Very low | 23.5 | Very low | 161 Ų | 161 | 136.7 Ų | 136.7 | 86% | 0.861 | 74% | 0.742 | S | S | * | * | -163.9 | 153.7 | 110.8 | -98.8 | -13 | 0 | 0 | 0 | 112.5 | |||||
| 1178 | P | 24.2 | Very low | 23.5 | Very low | 101 Ų | 101 | 139 Ų | 139 | 66% | 0.656 | 75% | 0.746 | S | S | * | * | trans | -92.9 | -170.5 | 167 | 40.3 | -35.2 | 0 | 0 | 0 | 111.6 | ||||
| 1179 | E | 22.7 | Very low | 23.6 | Very low | 177 Ų | 177 | 139 Ų | 139 | 83% | 0.827 | 74% | 0.74 | S | S | * | * | trans | 76.2 | 170.6 | 165.8 | -62.7 | 176.8 | -177.3 | 0 | 0 | 117.2 | ||||
| 1180 | T | 25.9 | Very low | 23.5 | Very low | 129 Ų | 129 | 139.5 Ų | 139.5 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | trans | 55.6 | 93 | -165.9 | 59.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1181 | E | 22.8 | Very low | 23.5 | Very low | 141 Ų | 141 | 142.2 Ų | 142.2 | 66% | 0.659 | 75% | 0.745 | S | S | * | * | 59.2 | 105.3 | 71.7 | -58.6 | -150.5 | 111.5 | 0 | 0 | 112.9 | |||||
| 1182 | R | 22.2 | Very low | 23.6 | Very low | 198 Ų | 198 | 138.9 Ų | 138.9 | 75% | 0.747 | 75% | 0.746 | S | S | * | * | 91.9 | 144.9 | 91.3 | -81.7 | 179.6 | 165.7 | 150.6 | 1.1 | 112 | |||||
| 1183 | T | 22 | Very low | 23.6 | Very low | 131 Ų | 131 | 136.3 Ų | 136.3 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | trans | 68 | 150.5 | 177.4 | 81 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1184 | L | 23.2 | Very low | 23.7 | Very low | 145 Ų | 145 | 137.9 Ų | 137.9 | 76% | 0.759 | 73% | 0.732 | S | S | * | * | cis | -132.4 | 160.2 | 6.8 | -80.3 | 168.8 | 0 | 0 | 0 | 111.4 | ||||
| 1185 | T | 23.7 | Very low | 23.7 | Very low | 104 Ų | 104 | 135.4 Ų | 135.4 | 64% | 0.638 | 73% | 0.727 | S | S | * | * | trans | 43.9 | 112.1 | 146.1 | 58.3 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1186 | D | 23 | Very low | 23.6 | Very low | 141 Ų | 141 | 136.7 Ų | 136.7 | 75% | 0.754 | 74% | 0.736 | S | S | * | * | 96.1 | 157.3 | 61.9 | -72.7 | -37.6 | 0 | 0 | 0 | 112.3 | |||||
| 1187 | D | 23.1 | Very low | 23.5 | Very low | 138 Ų | 138 | 136.4 Ų | 136.4 | 74% | 0.738 | 74% | 0.735 | S | S | * | * | trans | 46.5 | 90.3 | 164.2 | -63.4 | -21.8 | 0 | 0 | 0 | 119.6 | ||||
| 1188 | F | 25.3 | Very low | 23.3 | Very low | 199 Ų | 199 | 135.3 Ų | 135.3 | 87% | 0.873 | 73% | 0.733 | S | S | * | * | trans | -147.2 | 86.4 | 133.5 | -107.8 | -70 | 0 | 0 | 0 | 113.9 | ||||
| 1189 | F | 26.2 | Very low | 23.2 | Very low | 156 Ų | 156 | 135.5 Ų | 135.5 | 68% | 0.684 | 74% | 0.737 | S | S | * | * | trans | 49.5 | 112 | 149.1 | -74.1 | -89.5 | 0 | 0 | 0 | 121.3 | F1191 | F1189-F1191 HydrophobicContact CB-CD2 4.34Å; F1189-F1191 HydrophobicContact CB-CE2 4.41Å; F1189-F1191 AromaticContact CD1-CE2 3.91Å; F1189-F1191 HydrophobicContact CD1-CE2 3.91Å; F1189-F1191 HydrophobicContact CG-CE2 4.49Å | ||
| 1190 | S | 21.6 | Very low | 23.1 | Very low | 113 Ų | 113 | 133.8 Ų | 133.8 | 79% | 0.79 | 73% | 0.733 | S | S | * | * | trans | -72.3 | 140.9 | 153.9 | 49.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 1191 | F | 24.2 | Very low | 22.9 | Very low | 179 Ų | 179 | 138.8 Ų | 138.8 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | trans | -147.7 | 161.6 | 167.5 | -92.7 | -67.4 | 0 | 0 | 0 | 108.6 | F1189 | F1189-F1191 HydrophobicContact CB-CD2 4.34Å; F1189-F1191 HydrophobicContact CB-CE2 4.41Å; F1189-F1191 AromaticContact CD1-CE2 3.91Å; F1189-F1191 HydrophobicContact CD1-CE2 3.91Å; F1189-F1191 HydrophobicContact CG-CE2 4.49Å | ||
| 1192 | P | 24.4 | Very low | 22.9 | Very low | 112 Ų | 112 | 137.2 Ų | 137.2 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | -121.1 | -173.8 | -119.8 | 41.3 | -29 | 0 | 0 | 0 | 113.8 | |||||
| 1193 | R | 21.8 | Very low | 22.8 | Very low | 121 Ų | 121 | 136.9 Ų | 136.9 | 46% | 0.457 | 75% | 0.746 | S | S | . | * | trans | -66.4 | 143.9 | 165.9 | -74.7 | -171.4 | 168.4 | -177.6 | -10.8 | 112.9 | F1365 S1366 | R1193-F1365 VanDerWaalsContact CZ-C 3.44Å; R1193-F1365 PolarHBondContact NH2-O 2.88Å; R1193-S1366 PolarHBondContact NH1-OG 3.11Å | ||
| 1194 | P | 24.6 | Very low | 22.9 | Very low | 107 Ų | 107 | 137.6 Ų | 137.6 | 70% | 0.695 | 74% | 0.744 | S | S | * | * | -85.9 | 130.7 | 122.6 | 32.8 | -27.8 | 0 | 0 | 0 | 109.1 | |||||
| 1195 | S | 23.4 | Very low | 22.8 | Very low | 94 Ų | 94 | 136 Ų | 136 | 66% | 0.657 | 75% | 0.745 | S | S | * | * | cis | 76.5 | 124.7 | 44.4 | 82 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1196 | S | 21.5 | Very low | 22.8 | Very low | 124 Ų | 124 | 136 Ų | 136 | 87% | 0.867 | 75% | 0.75 | S | S | * | * | trans | -78.9 | 121 | 174.6 | 51.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1197 | S | 22.1 | Very low | 22.9 | Very low | 94 Ų | 94 | 138.7 Ų | 138.7 | 66% | 0.657 | 75% | 0.754 | S | S | * | * | trans | -160.3 | 121 | 166 | 42.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1198 | V | 22 | Very low | 22.8 | Very low | 137 Ų | 137 | 138.4 Ų | 138.4 | 83% | 0.83 | 76% | 0.758 | S | S | * | * | 80.2 | 143.5 | 66.8 | 170.3 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 1199 | S | 21.2 | Very low | 22.8 | Very low | 105 Ų | 105 | 134 Ų | 134 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | trans | 85.1 | 126.9 | -171.4 | 79.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1200 | L | 20.5 | Very low | 22.6 | Very low | 142 Ų | 142 | 130.7 Ų | 130.7 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | cis | -121.9 | 158.5 | -29 | -55.8 | 94 | 0 | 0 | 0 | 107.2 | ||||
| 1201 | Y | 21.3 | Very low | 22.7 | Very low | 234 Ų | 234 | 131 Ų | 131 | 92% | 0.918 | 74% | 0.743 | S | S | * | * | -136.4 | 151.1 | 74.5 | -95.7 | -90.6 | 0 | 0 | 0 | 113.5 | |||||
| 1202 | V | 23.3 | Very low | 22.7 | Very low | 107 Ų | 107 | 132.4 Ų | 132.4 | 65% | 0.648 | 74% | 0.743 | S | S | * | * | trans | -65.1 | 139.1 | 176.7 | 169.9 | 0 | 0 | 0 | 0 | 110.7 | D1204 | V1202-D1204 HydrophobicContact CG1-CB 4.4Å; V1202-D1204 PolarHBondContact O-N 2.98Å | ||
| 1203 | E | 20.3 | Very low | 22.6 | Very low | 192 Ų | 192 | 133.4 Ų | 133.4 | 90% | 0.897 | 74% | 0.741 | S | S | * | * | trans | -63.9 | 111.2 | 159.7 | -65.8 | -178.4 | 120.8 | 0 | 0 | 108.4 | ||||
| 1204 | D | 23.6 | Very low | 22.8 | Very low | 146 Ų | 146 | 135 Ų | 135 | 78% | 0.781 | 76% | 0.758 | S | S | * | * | trans | -142.8 | 139.7 | 160.7 | -135.8 | -30.4 | 0 | 0 | 0 | 114.1 | V1202 | V1202-D1204 HydrophobicContact CG1-CB 4.4Å; V1202-D1204 PolarHBondContact O-N 2.98Å | ||
| 1205 | S | 21.6 | Very low | 22.6 | Very low | 111 Ų | 111 | 133.4 Ų | 133.4 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | trans | -101.3 | 110.4 | -166.9 | 65.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1206 | S | 24 | Very low | 22.7 | Very low | 104 Ų | 104 | 137.5 Ų | 137.5 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | trans | -154 | 124 | 164.4 | 64.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1207 | K | 25.4 | Very low | 22.8 | Very low | 197 Ų | 197 | 139.9 Ų | 139.9 | 86% | 0.857 | 75% | 0.75 | S | S | * | * | 48.8 | 106 | 63.5 | -68.8 | -179.1 | 176.9 | 171.9 | 0 | 111.9 | |||||
| 1208 | T | 20.5 | Very low | 23 | Very low | 132 Ų | 132 | 142.5 Ų | 142.5 | 81% | 0.81 | 76% | 0.755 | S | S | * | * | trans | -25.6 | 148.1 | 153.8 | 53.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1209 | P | 25.6 | Very low | 23 | Very low | 107 Ų | 107 | 140.2 Ų | 140.2 | 70% | 0.695 | 75% | 0.745 | S | S | * | * | cis | -148.7 | 177.2 | 34.2 | 39.4 | -17.8 | 0 | 0 | 0 | 117.8 | ||||
| 1210 | S | 22.2 | Very low | 23 | Very low | 87 Ų | 87 | 141.6 Ų | 141.6 | 61% | 0.608 | 75% | 0.749 | S | S | * | * | trans | 47.4 | 146.8 | 137.2 | 66.2 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 1211 | T | 24.1 | Very low | 23.2 | Very low | 119 Ų | 119 | 140.6 Ų | 140.6 | 73% | 0.73 | 75% | 0.754 | S | S | * | * | trans | 68.2 | 152.6 | 144.5 | 50.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1212 | R | 23.1 | Very low | 23.1 | Very low | 208 Ų | 208 | 136.4 Ų | 136.4 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | cis | -167.5 | 130.6 | -26.9 | -117.1 | -174.3 | 168.5 | 178.5 | -3 | 109.1 | ||||
| 1213 | I | 23.6 | Very low | 23.2 | Very low | 134 Ų | 134 | 138.5 Ų | 138.5 | 69% | 0.687 | 75% | 0.75 | S | S | * | * | trans | 65.5 | 154 | 148.9 | -40.4 | 158.2 | 0 | 0 | 0 | 117.4 | ||||
| 1214 | L | 24.1 | Very low | 23.1 | Very low | 155 Ų | 155 | 136.3 Ų | 136.3 | 81% | 0.812 | 74% | 0.74 | S | S | * | * | trans | 92.4 | 139.5 | 160.6 | -54.6 | 174.2 | 0 | 0 | 0 | 118 | ||||
| 1215 | S | 22 | Very low | 23.1 | Very low | 73 Ų | 73 | 137 Ų | 137 | 51% | 0.51 | 74% | 0.742 | S | S | . | * | cis | -173.6 | 157.8 | -31.6 | 63.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1216 | K | 24.7 | Very low | 23 | Very low | 180 Ų | 180 | 139 Ų | 139 | 78% | 0.783 | 74% | 0.739 | S | S | * | * | trans | 67.3 | 155.3 | 158.2 | -62.9 | 161 | -172.9 | 168.3 | 0 | 114 | ||||
| 1217 | K | 23.7 | Very low | 22.9 | Very low | 173 Ų | 173 | 142.6 Ų | 142.6 | 75% | 0.752 | 74% | 0.742 | S | S | * | * | cis | -168.2 | 177.2 | -7.1 | -117.1 | 179 | 174.7 | -165.7 | 0 | 106.9 | ||||
| 1218 | I | 25.8 | Very low | 22.8 | Very low | 150 Ų | 150 | 139.5 Ų | 139.5 | 77% | 0.769 | 74% | 0.742 | S | S | * | * | trans | 69 | 121.1 | 162.1 | -62.6 | 140.7 | 0 | 0 | 0 | 114.1 | ||||
| 1219 | S | 22.7 | Very low | 23 | Very low | 89 Ų | 89 | 139.8 Ų | 139.8 | 62% | 0.622 | 74% | 0.739 | S | S | * | * | cis | 119.9 | 117.7 | 4.1 | 72.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 1220 | T | 21.8 | Very low | 23 | Very low | 133 Ų | 133 | 139.3 Ų | 139.3 | 82% | 0.816 | 74% | 0.736 | S | S | * | * | trans | 48.2 | 110.6 | 144.2 | 56.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1221 | S | 24.4 | Very low | 23 | Very low | 121 Ų | 121 | 143.8 Ų | 143.8 | 85% | 0.846 | 74% | 0.744 | S | S | * | * | trans | -170.4 | 156.3 | 134.3 | 43.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1222 | M | 19.4 | Very low | 23 | Very low | 146 Ų | 146 | 145.1 Ų | 145.1 | 72% | 0.719 | 74% | 0.743 | S | S | * | * | trans | -89.6 | 153.6 | 166.8 | -75.3 | 175.6 | 158.1 | 0 | 0 | 110.3 | L1071 | L1071-M1222 HydrophobicContact CD1-SD 3.99Å; L1071-M1222 HydrophobicContact CD2-SD 4.15Å | ||
| 1223 | I | 24.8 | Very low | 23 | Very low | 151 Ų | 151 | 143 Ų | 143 | 77% | 0.774 | 74% | 0.739 | S | S | * | * | trans | -137.4 | 129 | 156.4 | -61.1 | -177.8 | 0 | 0 | 0 | 108 | I1225 | I1223-I1225 HydrophobicContact CG2-CG1 4.17Š| ||
| 1224 | E | 18.5 | Very low | 23 | Very low | 146 Ų | 146 | 144 Ų | 144 | 68% | 0.682 | 75% | 0.745 | S | S | * | * | trans | -98.6 | 138 | 167.8 | -62.6 | -178.2 | 116.9 | 0 | 0 | 109.8 | ||||
| 1225 | I | 23.6 | Very low | 22.9 | Very low | 162 Ų | 162 | 142.8 Ų | 142.8 | 83% | 0.831 | 74% | 0.739 | S | S | * | * | trans | -138.4 | 143.1 | 162.1 | -58.4 | -176.9 | 0 | 0 | 0 | 108 | I1223 | I1223-I1225 HydrophobicContact CG2-CG1 4.17Š| ||
| 1226 | Q | 20.3 | Very low | 22.9 | Very low | 152 Ų | 152 | 146.3 Ų | 146.3 | 71% | 0.71 | 75% | 0.752 | S | S | * | * | trans | -112.5 | 148.9 | -161.1 | -67.7 | 178.4 | -9.9 | 0 | 0 | 114.2 | ||||
| 1227 | F | 21.7 | Very low | 22.8 | Very low | 180 Ų | 180 | 145.9 Ų | 145.9 | 79% | 0.789 | 76% | 0.758 | S | S | * | * | trans | 37.1 | 140.5 | 138.6 | -70.2 | -63.5 | 0 | 0 | 0 | 121.5 | ||||
| 1228 | P | 23.4 | Very low | 22.8 | Very low | 131 Ų | 131 | 146.9 Ų | 146.9 | 85% | 0.851 | 76% | 0.762 | S | S | * | * | -137.4 | 159.8 | 76.1 | 35.6 | -19.4 | 0 | 0 | 0 | 117.3 | |||||
| 1229 | N | 23.3 | Very low | 22.5 | Very low | 138 Ų | 138 | 148 Ų | 148 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | trans | -108.1 | 163.7 | 168.4 | -127.4 | -5.8 | 0 | 0 | 0 | 107.5 | ||||
| 1230 | P | 25.8 | Very low | 22.5 | Very low | 97 Ų | 97 | 153.9 Ų | 153.9 | 63% | 0.63 | 78% | 0.779 | S | S | * | * | -155.5 | 171.9 | 101 | 40.2 | -21.7 | 0 | 0 | 0 | 117.5 | |||||
| 1231 | F | 23.4 | Very low | 22.5 | Very low | 181 Ų | 181 | 158 Ų | 158 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | trans | 57.5 | 114.1 | 169.4 | -53.2 | -65.8 | 0 | 0 | 0 | 118 | ||||
| 1232 | Q | 23.6 | Very low | 22.3 | Very low | 148 Ų | 148 | 157.1 Ų | 157.1 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | cis | 94.6 | 129 | 35.4 | -73.6 | -151.2 | 11.5 | 0 | 0 | 116.8 | ||||
| 1233 | K | 22.7 | Very low | 22.4 | Very low | 163 Ų | 163 | 154.5 Ų | 154.5 | 71% | 0.709 | 77% | 0.774 | S | S | * | * | trans | 66.4 | 102.7 | 152.7 | -68.4 | 165.8 | 179.7 | 158.5 | 0 | 120.1 | ||||
| 1234 | L | 23.1 | Very low | 22.2 | Very low | 154 Ų | 154 | 152 Ų | 152 | 81% | 0.806 | 77% | 0.771 | S | S | * | * | 161 | 78.7 | 120.3 | -86.9 | 157.5 | 0 | 0 | 0 | 108.9 | |||||
| 1235 | N | 22.7 | Very low | 22.4 | Very low | 131 Ų | 131 | 154.5 Ų | 154.5 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | 84.4 | 132.1 | 90.6 | -83 | -4.6 | 0 | 0 | 0 | 115.1 | |||||
| 1236 | N | 22.1 | Very low | 22.3 | Very low | 146 Ų | 146 | 155.3 Ų | 155.3 | 78% | 0.781 | 78% | 0.78 | S | S | * | * | trans | 68.3 | 70 | 159.1 | -57.5 | -13.7 | 0 | 0 | 0 | 119 | ||||
| 1237 | L | 22.3 | Very low | 22.4 | Very low | 172 Ų | 172 | 156.5 Ų | 156.5 | 90% | 0.901 | 78% | 0.783 | S | S | * | * | -168.1 | 137.2 | 107.1 | -98.1 | 161.1 | 0 | 0 | 0 | 110.4 | L1239 | L1237-L1239 PolarHBondContact O-N 3.48Š| |||
| 1238 | K | 22.7 | Very low | 22.5 | Very low | 194 Ų | 194 | 155.7 Ų | 155.7 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | trans | -80.2 | 90.1 | -173.5 | -77 | -173.7 | 176 | -179.7 | 0 | 112.3 | Y1240 | K1238-Y1240 PolarHBondContact O-N 2.8Š| ||
| 1239 | L | 20 | Very low | 22.4 | Very low | 173 Ų | 173 | 156.2 Ų | 156.2 | 91% | 0.906 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 122.2 | 152.1 | -79.9 | 161.6 | 0 | 0 | 0 | 109.1 | L1237 | L1237-L1239 PolarHBondContact O-N 3.48Š|
| 1240 | Y | 22.8 | Very low | 22.4 | Very low | 212 Ų | 212 | 156.1 Ų | 156.1 | 83% | 0.831 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 124.4 | 160.8 | -101.3 | -77 | 0 | 0 | 0 | 109.4 | K1238 | K1238-Y1240 PolarHBondContact O-N 2.8Š|
| 1241 | R | 21.6 | Very low | 22.4 | Very low | 220 Ų | 220 | 161.3 Ų | 161.3 | 83% | 0.83 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 142.7 | 162.5 | -64 | 171.7 | 168.5 | 154.3 | -7.9 | 108.9 | ||
| 1242 | S | 19.7 | Very low | 22.4 | Very low | 103 Ų | 103 | 161.3 Ų | 161.3 | 72% | 0.72 | 79% | 0.79 | S | S | * | * | cis | 65.7 | 137.7 | 44.6 | 85.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1243 | A | 21.5 | Very low | 22.4 | Very low | 90 Ų | 90 | 159.3 Ų | 159.3 | 74% | 0.744 | 79% | 0.787 | S | S | * | * | trans | 65 | 150.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1244 | S | 22 | Very low | 22.6 | Very low | 100 Ų | 100 | 158.4 Ų | 158.4 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | trans | 63.7 | 145.3 | 175.6 | 64 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1245 | F | 22.3 | Very low | 22.7 | Very low | 198 Ų | 198 | 155.7 Ų | 155.7 | 87% | 0.868 | 78% | 0.776 | S | S | * | * | cis | -114.8 | 154.7 | 17.4 | -86.6 | -98 | 0 | 0 | 0 | 115.9 | ||||
| 1246 | H | 22.4 | Very low | 23 | Very low | 179 Ų | 179 | 157.9 Ų | 157.9 | 83% | 0.829 | 78% | 0.782 | S | S | * | * | trans | -66.6 | 164.3 | 165.9 | -104.9 | -110.7 | 0 | 0 | 0 | 111.8 | D1248 | H1246-D1248 PolarHBondContact O-N 3.38Š| ||
| 1247 | F | 20.3 | Very low | 23 | Very low | 176 Ų | 176 | 156.6 Ų | 156.6 | 77% | 0.772 | 78% | 0.775 | S | S | * | * | trans | -55.1 | 130.4 | 152.7 | -94.6 | -109.5 | 0 | 0 | 0 | 109.9 | H1249 | F1247-H1249 AromaticContact CD1-CD2 3.75Å; F1247-H1249 AromaticContact CD1-NE2 3.93Å | ||
| 1248 | D | 24 | Very low | 23.1 | Very low | 164 Ų | 164 | 155.4 Ų | 155.4 | 88% | 0.877 | 77% | 0.766 | S | S | * | * | trans | -118.5 | 95.3 | 155.4 | -118.6 | -28.5 | 0 | 0 | 0 | 109 | H1246 N1250 | H1246-D1248 PolarHBondContact O-N 3.38Å; D1248-N1250 PolarHBondContact O-N 3.26Å | ||
| 1249 | H | 22.4 | Very low | 23.5 | Very low | 141 Ų | 141 | 152.2 Ų | 152.2 | 65% | 0.653 | 76% | 0.758 | S | S | * | * | trans | -67.9 | 113.6 | 160.5 | -89.9 | -91 | 0 | 0 | 0 | 107.7 | F1247 | F1247-H1249 AromaticContact CD1-CD2 3.75Å; F1247-H1249 AromaticContact CD1-NE2 3.93Å | ||
| 1250 | N | 23.1 | Very low | 23.8 | Very low | 136 Ų | 136 | 152.1 Ų | 152.1 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | trans | 163.6 | 109.2 | 132.4 | -83.5 | -40.2 | 0 | 0 | 0 | 113.3 | D1248 | D1248-N1250 PolarHBondContact O-N 3.26Š| ||
| 1251 | K | 26.7 | Very low | 24 | Very low | 207 Ų | 207 | 148.7 Ų | 148.7 | 90% | 0.9 | 75% | 0.747 | S | S | * | * | trans | 154.6 | 91.8 | 157.2 | -90.9 | 161.4 | -177.6 | 175.9 | 0 | 107.9 | ||||
| 1252 | F | 22.9 | Very low | 24.3 | Very low | 181 Ų | 181 | 143.4 Ų | 143.4 | 79% | 0.794 | 74% | 0.741 | S | S | * | * | cis | 64.2 | 121.8 | 11 | -116 | -53.6 | 0 | 0 | 0 | 117.1 | ||||
| 1253 | V | 23.7 | Very low | 24.7 | Very low | 105 Ų | 105 | 145.8 Ų | 145.8 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | trans | 66.9 | 122.1 | 174.8 | -162.8 | 0 | 0 | 0 | 0 | 111.9 | N1255 | V1253-N1255 VanDerWaalsContact CG1-ND2 3.27Å; V1253-N1255 WeakPolarHBondContact CG1-ND2 3.4Å | ||
| 1254 | D | 26.1 | Very low | 24.8 | Very low | 144 Ų | 144 | 149 Ų | 149 | 77% | 0.77 | 75% | 0.748 | S | S | * | * | cis | -116.6 | 134.3 | 44.4 | -83.3 | -57.3 | 0 | 0 | 0 | 114.7 | ||||
| 1255 | N | 24.9 | Very low | 25.1 | Very low | 98 Ų | 98 | 148 Ų | 148 | 52% | 0.524 | 74% | 0.739 | S | S | . | * | 72 | 96.7 | 75.5 | -75.1 | -41.7 | 0 | 0 | 0 | 115.1 | V1253 | V1253-N1255 VanDerWaalsContact CG1-ND2 3.27Å; V1253-N1255 WeakPolarHBondContact CG1-ND2 3.4Å | |||
| 1256 | H | 28.7 | Very low | 25.1 | Very low | 176 Ų | 176 | 147.8 Ų | 147.8 | 82% | 0.815 | 73% | 0.733 | S | S | * | * | 179.9 | 102.7 | 113.2 | -93.2 | -69.3 | 0 | 0 | 0 | 108.2 | |||||
| 1257 | L | 22.9 | Very low | 25.1 | Very low | 120 Ų | 120 | 146.5 Ų | 146.5 | 63% | 0.628 | 73% | 0.726 | S | S | * | * | 45.7 | 106.3 | 79.8 | -74.5 | 160.6 | 0 | 0 | 0 | 113.5 | |||||
| 1258 | M | 25.6 | Very low | 25.3 | Very low | 147 Ų | 147 | 145.5 Ų | 145.5 | 72% | 0.724 | 73% | 0.727 | S | S | * | * | -175.6 | 157.3 | 94.7 | -89.3 | -54.8 | 173 | 0 | 0 | 112.7 | |||||
| 1259 | N | 29.3 | Very low | 25.1 | Very low | 127 Ų | 127 | 144.6 Ų | 144.6 | 68% | 0.679 | 72% | 0.721 | S | S | * | * | trans | 70.8 | 119.9 | 170.6 | -56.7 | -27.2 | 0 | 0 | 0 | 116.4 | ||||
| 1260 | K | 26.1 | Very low | 25.2 | Very low | 171 Ų | 171 | 144.7 Ų | 144.7 | 74% | 0.743 | 73% | 0.726 | S | S | * | * | 76.5 | 130 | 53.5 | -69.5 | 179.5 | -179.9 | -176.6 | 0 | 111.9 | |||||
| 1261 | D | 27.8 | Very low | 25.1 | Very low | 140 Ų | 140 | 148.6 Ų | 148.6 | 75% | 0.749 | 73% | 0.73 | S | S | * | * | cis | -138.2 | 170.1 | 10.7 | -90.7 | -45.3 | 0 | 0 | 0 | 113.3 | ||||
| 1262 | P | 27.5 | Very low | 24.9 | Very low | 108 Ų | 108 | 145.6 Ų | 145.6 | 70% | 0.701 | 72% | 0.719 | S | S | * | * | trans | -100.1 | -135.5 | -168 | 41.4 | -36.7 | 0 | 0 | 0 | 113.7 | ||||
| 1263 | I | 27.9 | Very low | 25 | Very low | 154 Ų | 154 | 145.2 Ų | 145.2 | 79% | 0.79 | 72% | 0.72 | S | S | * | * | trans | 86.4 | 101.3 | -173.4 | -53.2 | 162.9 | 0 | 0 | 0 | 110.9 | ||||
| 1264 | L | 23.4 | Very low | 25 | Very low | 158 Ų | 158 | 147.7 Ų | 147.7 | 83% | 0.827 | 73% | 0.729 | S | S | * | * | cis | 69.5 | 165.6 | 35.7 | -128.3 | 82.5 | 0 | 0 | 0 | 111.8 | ||||
| 1265 | P | 29.7 | Very low | 24.9 | Very low | 78 Ų | 78 | 146.1 Ų | 146.1 | 51% | 0.506 | 72% | 0.72 | S | S | . | * | cis | -133.2 | -167.8 | -15.7 | 19 | 8.2 | 0 | 0 | 0 | 113.6 | ||||
| 1266 | Y | 22.3 | Very low | 24.8 | Very low | 193 Ų | 193 | 147.2 Ų | 147.2 | 76% | 0.757 | 73% | 0.726 | S | S | * | * | trans | 72.6 | 162.8 | 147.9 | -67.4 | -37.1 | 0 | 0 | 0 | 119.6 | ||||
| 1267 | K | 22.3 | Very low | 24.6 | Very low | 153 Ų | 153 | 146.2 Ų | 146.2 | 67% | 0.665 | 73% | 0.726 | S | S | * | * | cis | -148.1 | 162.8 | -8.9 | -130.3 | 154.8 | -170.6 | 167.6 | 0 | 112.2 | ||||
| 1268 | I | 23.3 | Very low | 24.6 | Very low | 155 Ų | 155 | 148.6 Ų | 148.6 | 80% | 0.795 | 73% | 0.726 | S | S | * | * | trans | -79.5 | 118.1 | 157.8 | -64.5 | 166.3 | 0 | 0 | 0 | 108.6 | ||||
| 1269 | L | 21.7 | Very low | 24.5 | Very low | 144 Ų | 144 | 150 Ų | 150 | 75% | 0.754 | 73% | 0.731 | S | S | * | * | trans | -158.9 | 119.9 | 162.2 | -92.4 | 166.1 | 0 | 0 | 0 | 104.1 | ||||
| 1270 | L | 22.4 | Very low | 24.2 | Very low | 144 Ų | 144 | 149.6 Ų | 149.6 | 75% | 0.754 | 73% | 0.725 | S | S | * | * | cis | 62.6 | 131 | 42.8 | -71.4 | 169.4 | 0 | 0 | 0 | 114.2 | ||||
| 1271 | R | 21.7 | Very low | 24.1 | Very low | 217 Ų | 217 | 151 Ų | 151 | 82% | 0.819 | 73% | 0.731 | S | S | * | * | trans | 73.8 | 112.5 | -164.1 | -56.4 | 175.3 | 179.2 | 177 | -1.7 | 111.2 | ||||
| 1272 | Q | 23 | Very low | 24 | Very low | 145 Ų | 145 | 151.2 Ų | 151.2 | 68% | 0.678 | 73% | 0.728 | S | S | * | * | 73.9 | 139.4 | 74 | -72.6 | 171.7 | -52.4 | 0 | 0 | 112 | |||||
| 1273 | H | 24.4 | Very low | 23.8 | Very low | 173 Ų | 173 | 154.5 Ų | 154.5 | 80% | 0.801 | 73% | 0.731 | S | S | * | * | trans | 65.9 | 121.1 | -153.5 | -45.9 | -79.7 | 0 | 0 | 0 | 112.3 | ||||
| 1274 | N | 24.4 | Very low | 23.4 | Very low | 157 Ų | 157 | 154 Ų | 154 | 84% | 0.84 | 73% | 0.73 | S | S | * | * | cis | -89.2 | 102.4 | -0.1 | -68.8 | -13.8 | 0 | 0 | 0 | 112 | ||||
| 1275 | I | 24.1 | Very low | 23.5 | Very low | 111 Ų | 111 | 154.1 Ų | 154.1 | 57% | 0.569 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -86 | 144 | 141.8 | -68.2 | 173.7 | 0 | 0 | 0 | 105.1 | ||
| 1276 | D | 22.3 | Very low | 23.1 | Very low | 121 Ų | 121 | 154.3 Ų | 154.3 | 65% | 0.647 | 73% | 0.727 | S | S | * | * | trans | 55.8 | 98.6 | 175 | -56.4 | -27.4 | 0 | 0 | 0 | 118.1 | ||||
| 1277 | L | 23.8 | Very low | 23.1 | Very low | 155 Ų | 155 | 148.5 Ų | 148.5 | 81% | 0.812 | 71% | 0.714 | S | S | * | * | S | Bend | trans | 160.1 | 94.4 | 152.7 | -88.4 | 163.2 | 0 | 0 | 0 | 105.9 | ||
| 1278 | W | 22.9 | Very low | 23.2 | Very low | 169 Ų | 169 | 146.3 Ų | 146.3 | 64% | 0.64 | 71% | 0.705 | S | S | * | * | cis | -142 | 113.3 | 19.7 | -139.9 | 42.6 | 0 | 0 | 0 | 112.4 | Q1280 K1281 | W1278-Q1280 HydrophobicContact CD2-CB 3.55Å; W1278-Q1280 VanDerWaalsContact CE3-C 3.5Å; W1278-Q1280 HydrophobicContact CE3-CB 3.49Å; W1278-Q1280 VanDerWaalsContact CE3-CB 3.49Å; W1278-Q1280 HydrophobicContact CG-CB 4.19Å; W1278-Q1280 HydrophobicContact CH2-CB 3.87Å; W1278-Q1280 HydrophobicContact CZ2-CB 3.93Å; W1278-Q1280 VanDerWaalsContact CZ2-OE1 3.3Å; W1278-Q1280 HydrophobicContact CZ3-CB 3.65Å; W1278-Q1280 VanDerWaalsContact CZ3-O 3.27Å; W1278-Q1280 WeakPolarHBondContact CZ3-O 3.41Å; W1278-Q1280 PolarHBondContact O-N 3.07Å; W1278-K1281 HydrophobicContact CE3-CG 4.29Å; W1278-K1281 HydrophobicContact CZ3-CG 4.47Å | ||
| 1279 | Q | 23.3 | Very low | 23.2 | Very low | 178 Ų | 178 | 144.4 Ų | 144.4 | 83% | 0.832 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | 58.4 | 157.8 | -73 | -169 | -7.6 | 0 | 0 | 110.4 | ||
| 1280 | Q | 23.2 | Very low | 23.2 | Very low | 117 Ų | 117 | 141.7 Ų | 141.7 | 55% | 0.547 | 69% | 0.688 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -159.8 | 22.5 | 176.8 | -118.2 | 169.6 | 29.9 | 0 | 0 | 116.9 | W1278 | W1278-Q1280 HydrophobicContact CD2-CB 3.55Å; W1278-Q1280 VanDerWaalsContact CE3-C 3.5Å; W1278-Q1280 HydrophobicContact CE3-CB 3.49Å; W1278-Q1280 VanDerWaalsContact CE3-CB 3.49Å; W1278-Q1280 HydrophobicContact CG-CB 4.19Å; W1278-Q1280 HydrophobicContact CH2-CB 3.87Å; W1278-Q1280 HydrophobicContact CZ2-CB 3.93Å; W1278-Q1280 VanDerWaalsContact CZ2-OE1 3.3Å; W1278-Q1280 HydrophobicContact CZ3-CB 3.65Å; W1278-Q1280 VanDerWaalsContact CZ3-O 3.27Å; W1278-Q1280 WeakPolarHBondContact CZ3-O 3.41Å; W1278-Q1280 PolarHBondContact O-N 3.07Å |
| 1281 | K | 24.9 | Very low | 23.2 | Very low | 201 Ų | 201 | 141 Ų | 141 | 87% | 0.874 | 69% | 0.685 | S | S | * | * | trans | -95.8 | 42 | 156.1 | -79.6 | -166.8 | 173.6 | -179.6 | 0 | 113.7 | W1278 | W1278-K1281 HydrophobicContact CE3-CG 4.29Å; W1278-K1281 HydrophobicContact CZ3-CG 4.47Å | ||
| 1282 | Q | 25.9 | Very low | 23.4 | Very low | 144 Ų | 144 | 141.2 Ų | 141.2 | 67% | 0.673 | 69% | 0.687 | S | S | * | * | trans | -60.4 | 174.9 | 137.1 | -69 | -178.6 | -23 | 0 | 0 | 110.5 | ||||
| 1283 | F | 22 | Very low | 23.3 | Very low | 177 Ų | 177 | 138.9 Ų | 138.9 | 78% | 0.776 | 69% | 0.686 | S | S | * | * | trans | 72.8 | 123.3 | 167.7 | -72.8 | -79.3 | 0 | 0 | 0 | 119.2 | ||||
| 1284 | L | 21.2 | Very low | 23.3 | Very low | 145 Ų | 145 | 137.9 Ų | 137.9 | 76% | 0.759 | 69% | 0.687 | S | S | * | * | trans | 67.7 | 122.5 | 160.4 | -52.6 | 166.9 | 0 | 0 | 0 | 115.9 | ||||
| 1285 | K | 24.3 | Very low | 23.3 | Very low | 160 Ų | 160 | 134.6 Ų | 134.6 | 70% | 0.696 | 68% | 0.676 | S | S | * | * | S | Bend | cis | -88.7 | 129.3 | 2.9 | -65.3 | -179.2 | -178.5 | -179.4 | 0 | 110.4 | E661 | E661-K1285 IonicContact OE1-NZ 2.68Å; E661-K1285 PolarHBondContact OE1-NZ 3.1Å; E661-K1285 IonicContact OE2-NZ 3.99Å; E661-K1285 PolarHBondContact OE2-NZ 3.11Å |
| 1286 | S | 22.1 | Very low | 23.3 | Very low | 82 Ų | 82 | 136.5 Ų | 136.5 | 57% | 0.573 | 69% | 0.688 | S | S | * | * | cis | 55.1 | 124.7 | 34.3 | 81.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1287 | S | 22.6 | Very low | 23.5 | Very low | 71 Ų | 71 | 135.2 Ų | 135.2 | 50% | 0.497 | 69% | 0.688 | S | S | . | * | cis | -156.1 | 154.9 | 4 | 43.5 | 0 | 0 | 0 | 0 | 106.8 | L658 | L658-S1287 WeakPolarHBondContact CD2-O 3.48Š| ||
| 1288 | F | 23.3 | Very low | 23.4 | Very low | 107 Ų | 107 | 134.9 Ų | 134.9 | 47% | 0.469 | 69% | 0.686 | S | S | . | * | -151.7 | 136 | 57.4 | -96.2 | -108 | 0 | 0 | 0 | 108.3 | Q657 | Q657-F1288 HydrophobicContact CG-CB 4.46Å; Q657-F1288 HydrophobicContact CG-CD1 4.15Å; Q657-F1288 HydrophobicContact CG-CG 4.27Å | |||
| 1289 | I | 22.9 | Very low | 23.4 | Very low | 115 Ų | 115 | 132.5 Ų | 132.5 | 59% | 0.59 | 69% | 0.686 | S | S | * | * | 61.9 | 93.5 | 87.7 | -68.1 | 170 | 0 | 0 | 0 | 109.8 | |||||
| 1290 | S | 22.5 | Very low | 23.4 | Very low | 87 Ų | 87 | 131.1 Ų | 131.1 | 61% | 0.608 | 68% | 0.683 | S | S | * | * | 76.3 | 146.5 | 84.9 | 89.5 | 0 | 0 | 0 | 0 | 112 | |||||
| 1291 | D | 23.2 | Very low | 23.3 | Very low | 129 Ų | 129 | 129.6 Ų | 129.6 | 69% | 0.69 | 69% | 0.686 | S | S | * | * | cis | -133.5 | 175.4 | 8.7 | -70.1 | -79.5 | 0 | 0 | 0 | 108.4 | ||||
| 1292 | Y | 24.4 | Very low | 23.1 | Very low | 221 Ų | 221 | 125 Ų | 125 | 87% | 0.867 | 68% | 0.678 | S | S | * | * | cis | -152.6 | 144.8 | 36.4 | -120.2 | -86.5 | 0 | 0 | 0 | 113.6 | ||||
| 1293 | C | 22.5 | Very low | 22.9 | Very low | 97 Ų | 97 | 126.7 Ų | 126.7 | 66% | 0.655 | 68% | 0.683 | S | S | * | * | trans | -59.1 | 172.2 | 154.1 | -76.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1294 | N | 22.8 | Very low | 23.1 | Very low | 152 Ų | 152 | 124.9 Ų | 124.9 | 81% | 0.813 | 69% | 0.686 | S | S | * | * | cis | -152.6 | -177.1 | -2.1 | -107.1 | -20.2 | 0 | 0 | 0 | 105.1 | ||||
| 1295 | S | 24.4 | Very low | 23.2 | Very low | 88 Ų | 88 | 127 Ų | 127 | 62% | 0.615 | 69% | 0.689 | S | S | * | * | cis | -170.7 | 162.2 | 37.7 | 57.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 1296 | N | 25.7 | Very low | 23.1 | Very low | 151 Ų | 151 | 123.8 Ų | 123.8 | 81% | 0.807 | 69% | 0.687 | S | S | * | * | trans | 61.8 | 138.2 | 151.3 | -59 | -7.7 | 0 | 0 | 0 | 119.7 | ||||
| 1297 | S | 25.3 | Very low | 23.3 | Very low | 93 Ų | 93 | 127 Ų | 127 | 65% | 0.65 | 70% | 0.698 | S | S | * | * | cis | -167.5 | 146.8 | -9.1 | 45.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1298 | L | 22.6 | Very low | 23.4 | Very low | 148 Ų | 148 | 131.5 Ų | 131.5 | 78% | 0.775 | 72% | 0.716 | S | S | * | * | trans | 40.2 | 135.3 | 134.1 | -52.4 | 172.7 | 0 | 0 | 0 | 118.5 | ||||
| 1299 | N | 22.9 | Very low | 23.5 | Very low | 119 Ų | 119 | 134.9 Ų | 134.9 | 64% | 0.636 | 73% | 0.734 | S | S | * | * | cis | -176.2 | 163.9 | 16.9 | -128.1 | -9.7 | 0 | 0 | 0 | 111.6 | ||||
| 1300 | L | 23 | Very low | 23.5 | Very low | 149 Ų | 149 | 139 Ų | 139 | 78% | 0.78 | 74% | 0.743 | S | S | * | * | trans | 61 | 159.5 | 150.8 | -60.7 | 162.5 | 0 | 0 | 0 | 120.1 | ||||
| 1301 | S | 21.6 | Very low | 23.7 | Very low | 86 Ų | 86 | 145.1 Ų | 145.1 | 60% | 0.601 | 75% | 0.754 | S | S | * | * | -173.7 | 151.3 | -50.8 | 55.6 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 1302 | C | 20.9 | Very low | 23.8 | Very low | 105 Ų | 105 | 145.6 Ų | 145.6 | 71% | 0.709 | 76% | 0.757 | S | S | * | * | trans | 65.8 | 162.2 | 165.2 | -65.7 | 0 | 0 | 0 | 0 | 116 | ||||
| 1303 | K | 21.6 | Very low | 23.7 | Very low | 179 Ų | 179 | 144.8 Ų | 144.8 | 78% | 0.778 | 76% | 0.758 | S | S | * | * | cis | -165 | -177.7 | -23.9 | -106.6 | 171 | -175.9 | 170.1 | 0 | 105.8 | ||||
| 1304 | V | 24.7 | Very low | 23.8 | Very low | 138 Ų | 138 | 146.2 Ų | 146.2 | 84% | 0.836 | 76% | 0.764 | S | S | * | * | trans | 73.5 | 141.2 | 168.8 | -170 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1305 | K | 24.1 | Very low | 23.8 | Very low | 190 Ų | 190 | 145.9 Ų | 145.9 | 83% | 0.826 | 76% | 0.762 | S | S | * | * | cis | -158 | -169.6 | -38.7 | -115.9 | 178.9 | 178.1 | -173.3 | 0 | 105.4 | ||||
| 1306 | S | 22.8 | Very low | 23.8 | Very low | 92 Ų | 92 | 149.3 Ų | 149.3 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | trans | -63.7 | 157.1 | 164.6 | 53.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1307 | D | 26.5 | Very low | 23.7 | Very low | 150 Ų | 150 | 147.2 Ų | 147.2 | 80% | 0.802 | 77% | 0.766 | S | S | * | * | -166.4 | 178.3 | 95.6 | -77 | -21 | 0 | 0 | 0 | 109.5 | |||||
| 1308 | D | 23.5 | Very low | 23.6 | Very low | 166 Ų | 166 | 149.8 Ų | 149.8 | 89% | 0.888 | 77% | 0.772 | S | S | * | * | trans | -82.8 | -171.3 | -177.5 | -80.5 | -71.8 | 0 | 0 | 0 | 112.8 | ||||
| 1309 | E | 26.1 | Very low | 23.6 | Very low | 178 Ų | 178 | 148.3 Ų | 148.3 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | trans | 119.8 | 148.8 | 153.8 | -61.3 | -166 | 169.3 | 0 | 0 | 120.1 | ||||
| 1310 | Y | 22.6 | Very low | 23.6 | Very low | 202 Ų | 202 | 148.1 Ų | 148.1 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | trans | -74.1 | 136.3 | -172.1 | -72.3 | -122.4 | 0 | 0 | 0 | 114 | ||||
| 1311 | Y | 26.5 | Very low | 23.8 | Very low | 214 Ų | 214 | 147.2 Ų | 147.2 | 84% | 0.839 | 78% | 0.778 | S | S | * | * | trans | -148.2 | 123.7 | 139.9 | -72.5 | -71 | 0 | 0 | 0 | 107.9 | ||||
| 1312 | N | 25.5 | Very low | 23.9 | Very low | 140 Ų | 140 | 150.8 Ų | 150.8 | 75% | 0.749 | 79% | 0.789 | S | S | * | * | 68.1 | 124.4 | 61.4 | -77.6 | -12.6 | 0 | 0 | 0 | 114.8 | |||||
| 1313 | F | 21.2 | Very low | 24.1 | Very low | 203 Ų | 203 | 151.5 Ų | 151.5 | 89% | 0.89 | 80% | 0.795 | S | S | * | * | trans | -70.2 | 136 | -179.2 | -75.8 | -102 | 0 | 0 | 0 | 112.7 | ||||
| 1314 | V | 24.9 | Very low | 24.2 | Very low | 127 Ų | 127 | 148.5 Ų | 148.5 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | trans | -143.1 | 128.4 | 156.2 | -179.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1315 | N | 22.6 | Very low | 24.3 | Very low | 145 Ų | 145 | 147.5 Ų | 147.5 | 78% | 0.775 | 80% | 0.795 | S | S | * | * | trans | -79.8 | 142.3 | 170.3 | -72.7 | -38.1 | 0 | 0 | 0 | 110.7 | ||||
| 1316 | I | 25.1 | Very low | 24.5 | Very low | 160 Ų | 160 | 144.9 Ų | 144.9 | 82% | 0.821 | 80% | 0.796 | S | S | * | * | trans | -170 | 143.4 | 144.1 | -100.1 | 147.9 | 0 | 0 | 0 | 109.3 | ||||
| 1317 | P | 24.4 | Very low | 24.5 | Very low | 107 Ų | 107 | 148 Ų | 148 | 70% | 0.695 | 81% | 0.805 | S | S | * | * | trans | -109.6 | -174.7 | -167.2 | 42.3 | -37.2 | 0 | 0 | 0 | 115.9 | ||||
| 1318 | L | 22.5 | Very low | 24.6 | Very low | 147 Ų | 147 | 146.6 Ų | 146.6 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | trans | 89.6 | 114.1 | 156.8 | -64.3 | 168.6 | 0 | 0 | 0 | 121.4 | ||||
| 1319 | T | 22.2 | Very low | 24.6 | Very low | 118 Ų | 118 | 143.8 Ų | 143.8 | 72% | 0.724 | 80% | 0.797 | S | S | * | * | trans | 71.2 | 141.8 | 131.8 | 58.1 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 1320 | S | 23.4 | Very low | 24.7 | Very low | 114 Ų | 114 | 141.7 Ų | 141.7 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | 70.8 | 147.9 | 165.7 | 81 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1321 | T | 26 | Very low | 25 | Very low | 131 Ų | 131 | 139.5 Ų | 139.5 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | cis | -133.8 | 163.1 | 20.8 | 44.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1322 | I | 23.7 | Very low | 24.8 | Very low | 161 Ų | 161 | 136.4 Ų | 136.4 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | trans | -93.9 | 137.5 | 171.2 | -65.8 | 166.7 | 0 | 0 | 0 | 109 | ||||
| 1323 | S | 25.6 | Very low | 24.7 | Very low | 120 Ų | 120 | 137.7 Ų | 137.7 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | trans | -103.2 | 133 | 162.5 | 57.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1324 | S | 24.3 | Very low | 25 | Very low | 116 Ų | 116 | 135.7 Ų | 135.7 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | trans | -107.6 | 107.1 | -159.3 | 54.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1325 | S | 27.1 | Very low | 25 | Very low | 116 Ų | 116 | 139.2 Ų | 139.2 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | trans | -175.8 | 137.1 | 155.4 | 57.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1326 | T | 28.2 | Very low | 25.1 | Very low | 135 Ų | 135 | 140.3 Ų | 140.3 | 83% | 0.828 | 79% | 0.789 | S | S | * | * | cis | -134.5 | 154.3 | 9.2 | 49.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 1327 | L | 22.9 | Very low | 25 | Very low | 159 Ų | 159 | 139.6 Ų | 139.6 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | trans | -143.7 | 117.7 | 179.5 | -135.2 | 173.9 | 0 | 0 | 0 | 110.2 | ||||
| 1328 | P | 28.5 | Very low | 25.2 | Very low | 119 Ų | 119 | 144.6 Ų | 144.6 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | -84.9 | 132 | 162.8 | -13 | 30.6 | 0 | 0 | 0 | 110.7 | ||||
| 1329 | S | 23.9 | Very low | 25.3 | Very low | 108 Ų | 108 | 142.4 Ų | 142.4 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | -96.4 | 121.2 | -173.4 | 53.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1330 | T | 28.5 | Very low | 25.3 | Very low | 133 Ų | 133 | 145.3 Ų | 145.3 | 82% | 0.816 | 80% | 0.803 | S | S | * | * | trans | 175.7 | 143.9 | 157.9 | 33.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1331 | I | 27.2 | Very low | 25.5 | Very low | 156 Ų | 156 | 147.5 Ų | 147.5 | 80% | 0.8 | 80% | 0.804 | S | S | * | * | cis | -135 | 136.1 | -6.2 | -95.1 | 144.7 | 0 | 0 | 0 | 108.5 | ||||
| 1332 | L | 22.6 | Very low | 25.5 | Very low | 149 Ų | 149 | 146.3 Ų | 146.3 | 78% | 0.78 | 80% | 0.796 | S | S | * | * | trans | -67 | 167.5 | 169.6 | -114.9 | 158.5 | 0 | 0 | 0 | 112.9 | ||||
| 1333 | H | 24.9 | Very low | 25.6 | Very low | 167 Ų | 167 | 145.7 Ų | 145.7 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | trans | 79.4 | 148 | 168.2 | -82.5 | -84.7 | 0 | 0 | 0 | 120.1 | ||||
| 1334 | Q | 25.9 | Very low | 25.6 | Very low | 162 Ų | 162 | 149 Ų | 149 | 76% | 0.757 | 79% | 0.794 | S | S | * | * | trans | 74.1 | 128.6 | 169.4 | -61.7 | -175.9 | 9.9 | 0 | 0 | 116.8 | ||||
| 1335 | Y | 25.2 | Very low | 25.8 | Very low | 201 Ų | 201 | 154 Ų | 154 | 79% | 0.788 | 80% | 0.797 | S | S | * | * | cis | -143.9 | 157.7 | -4.3 | -120.1 | -65.3 | 0 | 0 | 0 | 112.6 | ||||
| 1336 | H | 24.6 | Very low | 25.7 | Very low | 167 Ų | 167 | 153.6 Ų | 153.6 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | -72.8 | 174.8 | 175.4 | -92.8 | -125.6 | 0 | 0 | 0 | 114.4 | ||||
| 1337 | N | 24.3 | Very low | 25.7 | Very low | 146 Ų | 146 | 154.2 Ų | 154.2 | 78% | 0.781 | 79% | 0.792 | S | S | * | * | trans | 88.7 | 132.8 | 170 | -48.3 | -39.3 | 0 | 0 | 0 | 114.3 | ||||
| 1338 | K | 27.7 | Very low | 26.1 | Very low | 211 Ų | 211 | 156 Ų | 156 | 92% | 0.917 | 80% | 0.796 | S | S | * | * | cis | -119.4 | 157.7 | 19 | -65.4 | 171.2 | 179.3 | 175.3 | 0 | 113.4 | ||||
| 1339 | S | 23.8 | Very low | 26.1 | Very low | 102 Ų | 102 | 158.5 Ų | 158.5 | 71% | 0.713 | 80% | 0.802 | S | S | * | * | trans | -119.1 | -171.7 | -179.5 | 58.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 1340 | M | 23.3 | Very low | 26.4 | Very low | 179 Ų | 179 | 161.2 Ų | 161.2 | 88% | 0.882 | 81% | 0.807 | S | S | * | * | trans | 78.3 | 140.4 | -172 | -46.5 | -171.4 | -179.8 | 0 | 0 | 113.2 | ||||
| 1341 | I | 27.4 | Very low | 26.4 | Very low | 159 Ų | 159 | 162.6 Ų | 162.6 | 82% | 0.815 | 81% | 0.809 | S | S | * | * | cis | -125 | 133.5 | 17.4 | -67.8 | 171.6 | 0 | 0 | 0 | 113.4 | ||||
| 1342 | T | 27.1 | Very low | 26.5 | Very low | 106 Ų | 106 | 163.4 Ų | 163.4 | 65% | 0.65 | 81% | 0.812 | S | S | * | * | trans | -17 | 132.9 | 169.4 | 57.4 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 1343 | N | 24.6 | Very low | 26.8 | Very low | 149 Ų | 149 | 163 Ų | 163 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | 61 | 112.2 | 118.4 | -50.2 | -5.7 | 0 | 0 | 0 | 122.9 | |||||
| 1344 | K | 26.4 | Very low | 27 | Very low | 190 Ų | 190 | 164.4 Ų | 164.4 | 83% | 0.826 | 82% | 0.815 | S | S | * | * | -165.6 | 162.5 | 122.1 | -108.7 | 171.5 | -177.2 | -178.9 | 0 | 111.2 | |||||
| 1345 | Y | 27.1 | Very low | 27.1 | Very low | 221 Ų | 221 | 163.4 Ų | 163.4 | 87% | 0.867 | 82% | 0.82 | S | S | * | * | trans | 68.2 | 51.8 | 178.6 | -59.5 | -67.9 | 0 | 0 | 0 | 118.2 | ||||
| 1346 | S | 25.5 | Very low | 27.2 | Very low | 107 Ų | 107 | 160.1 Ų | 160.1 | 75% | 0.748 | 82% | 0.821 | S | S | * | * | trans | -87.3 | 119.1 | 142 | 52.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1347 | D | 29.3 | Very low | 27.4 | Very low | 147 Ų | 147 | 156.9 Ų | 156.9 | 79% | 0.786 | 82% | 0.817 | S | S | * | * | trans | -169.2 | -38.2 | 160.8 | -95.7 | -34.5 | 0 | 0 | 0 | 113.5 | L1349 | D1347-L1349 PolarHBondContact O-N 3.36Š| ||
| 1348 | H | 30.8 | Very low | 27.7 | Very low | 197 Ų | 197 | 154.7 Ų | 154.7 | 91% | 0.912 | 81% | 0.813 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | 17.9 | -171.6 | -78.9 | -73.4 | 0 | 0 | 0 | 117.2 | ||
| 1349 | L | 28.4 | Very low | 27.7 | Very low | 172 Ų | 172 | 151.8 Ų | 151.8 | 90% | 0.901 | 81% | 0.808 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.7 | 13.4 | -171.9 | -104.9 | 169.4 | 0 | 0 | 0 | 115.7 | D1347 | D1347-L1349 PolarHBondContact O-N 3.36Š|
| 1350 | L | 30.2 | Very low | 27.8 | Very low | 165 Ų | 165 | 152 Ų | 152 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -117.1 | 2.1 | -170.4 | -109 | 163.1 | 0 | 0 | 0 | 116.8 | ||
| 1351 | L | 28 | Very low | 28.1 | Very low | 162 Ų | 162 | 153.3 Ų | 153.3 | 85% | 0.848 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -112.9 | -17.4 | -172.4 | -107.3 | 164.7 | 0 | 0 | 0 | 116.8 | ||
| 1352 | I | 29 | Very low | 28.2 | Very low | 172 Ų | 172 | 157.5 Ų | 157.5 | 88% | 0.882 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -112.6 | 65 | -179.4 | -47.9 | -177.7 | 0 | 0 | 0 | 110.3 | ||
| 1353 | N | 29 | Very low | 28.4 | Very low | 142 Ų | 142 | 159.1 Ų | 159.1 | 76% | 0.759 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -145.9 | 32.2 | 177.7 | -135.4 | -6.9 | 0 | 0 | 0 | 112.1 | ||
| 1354 | K | 29.2 | Very low | 28.7 | Very low | 195 Ų | 195 | 156 Ų | 156 | 85% | 0.848 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -140.5 | 4.4 | -169.1 | -117.7 | -178.1 | -178.2 | -179.4 | 0 | 116.8 | ||
| 1355 | V | 28.4 | Very low | 28.8 | Very low | 141 Ų | 141 | 154.2 Ų | 154.2 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | trans | -130.3 | 64.5 | 179.8 | -166.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1356 | T | 26.3 | Very low | 29 | Very low | 132 Ų | 132 | 145.7 Ų | 145.7 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | trans | -116.4 | 69 | 176.1 | 36.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1357 | S | 28.9 | Very low | 29.4 | Very low | 100 Ų | 100 | 146.7 Ų | 146.7 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | trans | -164 | 152.8 | 169.3 | 46.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1358 | S | 30.6 | Very low | 29.6 | Very low | 100 Ų | 100 | 145 Ų | 145 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | trans | 54.5 | 97.7 | 157.5 | 56.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1359 | N | 29.1 | Very low | 29.7 | Very low | 150 Ų | 150 | 143.7 Ų | 143.7 | 80% | 0.802 | 75% | 0.749 | S | S | * | * | 48.2 | 107.8 | 123.8 | -62.6 | -11.1 | 0 | 0 | 0 | 121.5 | |||||
| 1360 | S | 26.1 | Very low | 29.9 | Very low | 107 Ų | 107 | 140 Ų | 140 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | 84.3 | 155 | 125.6 | 82.4 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 1361 | K | 29.9 | Very low | 30.1 | Very low | 206 Ų | 206 | 138.3 Ų | 138.3 | 90% | 0.896 | 73% | 0.728 | S | S | * | * | trans | 76.8 | 154.2 | 176.9 | -59.8 | -178.4 | -179.4 | 177.5 | 0 | 115.7 | ||||
| 1362 | R | 27.7 | Very low | 30.2 | Very low | 246 Ų | 246 | 138.1 Ų | 138.1 | 93% | 0.928 | 73% | 0.728 | S | S | * | * | trans | -93.9 | 137.2 | -165.6 | -62.4 | 171.4 | 174.9 | 165.9 | -4.3 | 110.5 | ||||
| 1363 | I | 31.6 | Very low | 30.3 | Very low | 140 Ų | 140 | 142.4 Ų | 142.4 | 72% | 0.718 | 74% | 0.744 | S | S | * | * | trans | -110.4 | 132.7 | 162 | -60.7 | 178.9 | 0 | 0 | 0 | 107.6 | E1367 | I1363-E1367 WeakPolarHBondContact CG2-OE2 3.37Š| ||
| 1364 | P | 31 | Very low | 30.3 | Very low | 85 Ų | 85 | 142.4 Ų | 142.4 | 55% | 0.552 | 74% | 0.743 | S | S | * | * | trans | -64.9 | 148 | 179.9 | -22.4 | 34.8 | 0 | 0 | 0 | 113.1 | S1366 | P1364-S1366 PolarHBondContact O-N 2.88Š| ||
| 1365 | F | 28 | Very low | 30.4 | Very low | 151 Ų | 151 | 139.6 Ų | 139.6 | 66% | 0.662 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | 30.6 | -173.2 | -153.7 | -94.6 | 0 | 0 | 0 | 115.4 | R1193 I1368 | R1193-F1365 VanDerWaalsContact CZ-C 3.44Å; R1193-F1365 PolarHBondContact NH2-O 2.88Å; F1365-I1368 HydrophobicContact CD2-CD1 4.5Å |
| 1366 | S | 32.6 | Very low | 30.5 | Very low | 43 Ų | 43 | 139.6 Ų | 139.6 | 30% | 0.301 | 73% | 0.731 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100.2 | -46.8 | -174.5 | 6.5 | 0 | 0 | 0 | 0 | 111.3 | R1193 P1364 I1368 Q1369 | R1193-S1366 PolarHBondContact NH1-OG 3.11Å; P1364-S1366 PolarHBondContact O-N 2.88Å; S1366-I1368 PolarHBondContact O-N 3.14Å; S1366-I1368 VanDerWaalsContact O-N 3.11Å; S1366-Q1369 PolarHBondContact O-N 3.28Å |
| 1367 | E | 34.6 | Very low | 30.7 | Very low | 128 Ų | 128 | 140 Ų | 140 | 60% | 0.598 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | 4.2 | -170.4 | -64.5 | 154.4 | 149.5 | 0 | 0 | 112.6 | I1363 | I1363-E1367 WeakPolarHBondContact CG2-OE2 3.37Š|
| 1368 | I | 33.5 | Very low | 30.8 | Very low | 112 Ų | 112 | 142.5 Ų | 142.5 | 57% | 0.574 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | -18.1 | 174.8 | -58.1 | 176 | 0 | 0 | 0 | 110.7 | F1365 S1366 S1370 | F1365-I1368 HydrophobicContact CD2-CD1 4.5Å; S1366-I1368 PolarHBondContact O-N 3.14Å; S1366-I1368 VanDerWaalsContact O-N 3.11Å; I1368-S1370 VanDerWaalsContact C-N 3.29Å; I1368-S1370 PolarHBondContact O-N 3.25Å |
| 1369 | Q | 31 | Very low | 30.9 | Very low | 169 Ų | 169 | 145.3 Ų | 145.3 | 79% | 0.79 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | 4.5 | -171 | -139.9 | 169.7 | -8.5 | 0 | 0 | 114.4 | S1366 | S1366-Q1369 PolarHBondContact O-N 3.28Š|
| 1370 | S | 33.4 | Very low | 31 | Very low | 93 Ų | 93 | 145 Ų | 145 | 65% | 0.65 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.2 | 17.1 | -178.3 | 60.5 | 0 | 0 | 0 | 0 | 114 | I1368 | I1368-S1370 VanDerWaalsContact C-N 3.29Å; I1368-S1370 PolarHBondContact O-N 3.25Å |
| 1371 | I | 34.4 | Very low | 31.4 | Very low | 130 Ų | 130 | 147.9 Ų | 147.9 | 67% | 0.667 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -118.3 | -4.4 | -174.7 | -69.5 | 174.7 | 0 | 0 | 0 | 112.9 | ||
| 1372 | N | 29.7 | Very low | 31.5 | Very low | 158 Ų | 158 | 143.1 Ų | 143.1 | 85% | 0.845 | 71% | 0.709 | S | S | * | * | trans | -135.9 | 71.9 | 167.5 | -71.2 | -70.3 | 0 | 0 | 0 | 110 | ||||
| 1373 | Q | 30.5 | Very low | 31.8 | Very low | 262 Ų | 262 | 133.7 Ų | 133.7 | 100% | 1.224 | 69% | 0.689 | S | S | * | * | trans | -90.7 | 0 | 142.3 | -78.4 | -174.8 | -46.4 | 0 | 0 | 107.9 |
Retrieved 1,373 of 1,373 residues in 1917.1 ms
(Link to these results)