| 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 | 40.4 | Very low | 59.3 | Low | 208 Ų | 208 | 104.8 Ų | 104.8 | 100% | 1.025 | 57% | 0.57 | S | S | * | * | 0 | -20 | 0 | -59.4 | -166.8 | 91 | 0 | 0 | 113.6 | |||||
| 2 | S | 42.8 | Very low | 62.4 | Low | 104 Ų | 104 | 102.7 Ų | 102.7 | 73% | 0.727 | 55% | 0.551 | S | S | * | * | trans | -89.6 | -14.4 | 174.3 | 44.8 | 0 | 0 | 0 | 0 | 115 | T5 | S2-T5 PolarHBondContact O-OG1 3.2Š| ||
| 3 | S | 45.7 | Very low | 65.1 | Low | 69 Ų | 69 | 97.5 Ų | 97.5 | 48% | 0.483 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -78.5 | -40.3 | 179.7 | 48.9 | 0 | 0 | 0 | 0 | 113.6 | T5 S6 D7 | S3-T5 VanDerWaalsContact C-N 3.32Å; S3-T5 PolarHBondContact O-N 2.99Å; S3-S6 PolarHBondContact O-N 3.38Å; S3-S6 PolarHBondContact O-OG 3.41Å; S3-D7 PolarHBondContact O-N 2.86Å; S3-D7 VanDerWaalsContact O-N 3.13Å |
| 4 | D | 47.8 | Very low | 67.4 | Low | 99 Ų | 99 | 97 Ų | 97 | 53% | 0.529 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.3 | -33.3 | -174.5 | -59.4 | -41.4 | 0 | 0 | 0 | 112.3 | Q8 | D4-Q8 WeakPolarHBondContact O-CB 3.3Å; D4-Q8 WeakPolarHBondContact O-CG 3.35Å; D4-Q8 PolarHBondContact O-N 3.2Å |
| 5 | T | 47.9 | Very low | 69.4 | Low | 100 Ų | 100 | 90.9 Ų | 90.9 | 61% | 0.613 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -69.7 | -33 | 176.4 | 43 | 0 | 0 | 0 | 0 | 112.7 | S2 S3 S9 | S2-T5 PolarHBondContact O-OG1 3.2Å; S3-T5 VanDerWaalsContact C-N 3.32Å; S3-T5 PolarHBondContact O-N 2.99Å; T5-S9 PolarHBondContact O-N 3.22Å |
| 6 | S | 54.6 | Low | 71.1 | Confident | 61 Ų | 61 | 88.9 Ų | 88.9 | 43% | 0.427 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -71.8 | -43.2 | 173.4 | 43.5 | 0 | 0 | 0 | 0 | 112 | S3 S9 R10 | S3-S6 PolarHBondContact O-N 3.38Å; S3-S6 PolarHBondContact O-OG 3.41Å; S6-S9 WeakPolarHBondContact O-CB 3.48Å; S6-S9 PolarHBondContact O-N 2.94Å; S6-R10 WeakPolarHBondContact O-CG 3.33Å; S6-R10 PolarHBondContact O-N 3.44Å |
| 7 | D | 54.4 | Low | 72.6 | Confident | 105 Ų | 105 | 86.5 Ų | 86.5 | 56% | 0.561 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -68.3 | -38.5 | 178.9 | -97.6 | 3.1 | 0 | 0 | 0 | 112.2 | S3 S9 R10 | S3-D7 PolarHBondContact O-N 2.86Å; S3-D7 VanDerWaalsContact O-N 3.13Å; D7-S9 PolarHBondContact O-N 2.75Å; D7-R10 PolarHBondContact O-N 2.86Å; D7-R10 VanDerWaalsContact O-N 3.13Å |
| 8 | Q | 59.1 | Low | 73.9 | Confident | 113 Ų | 113 | 85.6 Ų | 85.6 | 53% | 0.528 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.2 | -19.5 | 173.9 | -77.4 | -170.4 | 33.1 | 0 | 0 | 114.2 | D4 R11 F12 | D4-Q8 WeakPolarHBondContact O-CB 3.3Å; D4-Q8 WeakPolarHBondContact O-CG 3.35Å; D4-Q8 PolarHBondContact O-N 3.2Å; Q8-R11 WeakPolarHBondContact O-CG 3.47Å; Q8-R11 PolarHBondContact O-NE 3.16Å; Q8-R11 VanDerWaalsContact O-NE 3.16Å; Q8-F12 VanDerWaalsContact O-CD2 3.29Å; Q8-F12 WeakPolarHBondContact O-CD2 3.48Å; Q8-F12 WeakPolarHBondContact O-CE2 3.31Å |
| 9 | S | 73.8 | Confident | 75.1 | Confident | 83 Ų | 83 | 82.7 Ų | 82.7 | 58% | 0.58 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -80.8 | -36.6 | 173.4 | -169.2 | 0 | 0 | 0 | 0 | 111.8 | T5 S6 D7 R11 F12 | T5-S9 PolarHBondContact O-N 3.22Å; S6-S9 WeakPolarHBondContact O-CB 3.48Å; S6-S9 PolarHBondContact O-N 2.94Å; D7-S9 PolarHBondContact O-N 2.75Å; S9-R11 VanDerWaalsContact C-N 3.31Å; S9-R11 PolarHBondContact O-N 3.37Å; S9-F12 PolarHBondContact O-N 2.82Å |
| 10 | R | 91.3 | Very high | 76.2 | Confident | 139 Ų | 139 | 78.6 Ų | 78.6 | 53% | 0.525 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -71.4 | -19.7 | -174.4 | -68.9 | 177.4 | 73.9 | 146.7 | 10.3 | 114.9 | S6 D7 F12 D216 F217 | S6-R10 WeakPolarHBondContact O-CG 3.33Å; S6-R10 PolarHBondContact O-N 3.44Å; D7-R10 PolarHBondContact O-N 2.86Å; D7-R10 VanDerWaalsContact O-N 3.13Å; R10-F12 PolarHBondContact O-N 3.21Å; R10-D216 IonicContact CZ-OD1 2.83Å; R10-D216 IonicContact NE-OD1 2.67Å; R10-D216 PolarHBondContact NE-OD1 2.85Å; R10-D216 IonicContact NH2-OD1 3.71Å; R10-D216 PolarHBondContact NH2-OD1 3.31Å; R10-D216 IonicContact NH2-OD2 2.74Å; R10-F217 WeakPolarHBondContact O-CB 3.4Å; R10-F217 PolarHBondContact O-N 3.19Å |
| 11 | R | 94.6 | Very high | 77.1 | Confident | 72 Ų | 72 | 81.3 Ų | 81.3 | 27% | 0.272 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -15.4 | 173.6 | 70.8 | -171.3 | 166.2 | 137.3 | -10.3 | 113.6 | Q8 S9 E211 S212 G215 | Q8-R11 WeakPolarHBondContact O-CG 3.47Å; Q8-R11 PolarHBondContact O-NE 3.16Å; Q8-R11 VanDerWaalsContact O-NE 3.16Å; S9-R11 VanDerWaalsContact C-N 3.31Å; S9-R11 PolarHBondContact O-N 3.37Å; R11-E211 HydrophobicContact CB-CG 4.48Å; R11-E211 WeakPolarHBondContact CD-OE1 3.48Å; R11-E211 HydrophobicContact CG-CG 4.29Å; R11-E211 IonicContact CZ-OE1 3.82Å; R11-E211 IonicContact NE-OE1 2.93Å; R11-E211 IonicContact NH1-OE1 3.3Å; R11-E211 PolarHBondContact NH1-OE1 2.86Å; R11-E211 CarbonylContact O-C 3.5Å; R11-E211 VanDerWaalsContact O-CA 3.27Å; R11-E211 WeakPolarHBondContact O-CA 3.19Å; R11-S212 PolarHBondContact O-N 2.99Å; R11-G215 VanDerWaalsContact CA-O 3.23Å; R11-G215 WeakPolarHBondContact CA-O 3.41Å; R11-G215 VanDerWaalsContact CB-O 3.29Å; R11-G215 WeakPolarHBondContact CB-O 3.42Å; R11-G215 PolarHBondContact N-O 2.88Å |
| 12 | F | 96.6 | Very high | 79.8 | Confident | 79 Ų | 79 | 73.9 Ų | 73.9 | 35% | 0.346 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 144.5 | -176.8 | -62.8 | -67.2 | 0 | 0 | 0 | 112.1 | Q8 S9 R10 I209 G210 E211 | Q8-F12 VanDerWaalsContact O-CD2 3.29Å; Q8-F12 WeakPolarHBondContact O-CD2 3.48Å; Q8-F12 WeakPolarHBondContact O-CE2 3.31Å; S9-F12 PolarHBondContact O-N 2.82Å; R10-F12 PolarHBondContact O-N 3.21Å; F12-I209 HydrophobicContact CB-CG2 4.23Å; F12-I209 HydrophobicContact CD1-CG2 3.87Å; F12-I209 HydrophobicContact CG-CG2 4.39Å; F12-G210 VanDerWaalsContact CA-O 3.3Å; F12-G210 WeakPolarHBondContact CA-O 3.16Å; F12-E211 HydrophobicContact CD1-CB 3.79Å; F12-E211 HydrophobicContact CD1-CG 3.98Å; F12-E211 HydrophobicContact CE1-CB 3.74Å; F12-E211 VanDerWaalsContact CE1-CD 3.42Å; F12-E211 HydrophobicContact CE1-CG 3.68Å; F12-E211 VanDerWaalsContact CE1-OE2 3.31Å; F12-E211 WeakPolarHBondContact CE1-OE2 3.45Å; F12-E211 HydrophobicContact CZ-CG 4.44Å |
| 13 | C | 96.7 | Very high | 82.3 | Confident | 36 Ų | 36 | 68.9 Ų | 68.9 | 24% | 0.243 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 147.9 | 170.6 | -169.6 | 0 | 0 | 0 | 0 | 110.4 | G210 F217 E218 | C13-G210 PolarHBondContact N-O 2.6Å; C13-G210 PolarHBondContact O-N 2.72Å; C13-F217 HydrophobicContact CB-CB 4.29Å; C13-F217 HydrophobicContact CB-CD1 3.25Å; C13-F217 HydrophobicContact CB-CD2 4.07Å; C13-F217 HydrophobicContact CB-CE1 3.44Å; C13-F217 VanDerWaalsContact CB-CE1 3.44Å; C13-F217 HydrophobicContact CB-CE2 4.24Å; C13-F217 HydrophobicContact CB-CG 3.6Å; C13-F217 HydrophobicContact CB-CZ 3.94Å; C13-E218 PolarHBondContact SG-OE1 2.97Å |
| 14 | V | 97.4 | Very high | 84.7 | Confident | 90 Ų | 90 | 67.1 Ų | 67.1 | 55% | 0.545 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 125 | 173.7 | 176.1 | 0 | 0 | 0 | 0 | 108.2 | T207 | V14-T207 HydrophobicContact CG1-CG2 3.73Å; V14-T207 HydrophobicContact CG2-CG2 4.3Å |
| 15 | L | 97.6 | Very high | 86.9 | Confident | 5 Ų | 5 | 66 Ų | 66 | 3% | 0.026 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 138.2 | -179.5 | -88 | 65.5 | 0 | 0 | 0 | 111.2 | Q19 V20 L23 V77 L78 I184 V208 G210 | L15-Q19 HydrophobicContact CB-CB 3.88Å; L15-Q19 HydrophobicContact CD2-CB 3.91Å; L15-Q19 HydrophobicContact CG-CB 3.83Å; L15-V20 HydrophobicContact CB-CG2 3.88Å; L15-L23 HydrophobicContact CD2-CD2 4.47Å; L15-V77 HydrophobicContact CD2-CG1 4.02Å; L15-L78 HydrophobicContact CD1-CD2 4.14Å; L15-L78 HydrophobicContact CD2-CD2 4.39Å; L15-L78 HydrophobicContact CG-CD2 4.02Å; L15-I184 HydrophobicContact CD1-CG2 4.36Å; L15-I184 HydrophobicContact CD2-CD1 4.28Å; L15-I184 HydrophobicContact CD2-CG2 3.71Å; L15-V208 HydrophobicContact CB-CB 4.33Å; L15-V208 HydrophobicContact CD1-CG1 4.49Å; L15-V208 HydrophobicContact CD2-CB 4.46Å; L15-V208 HydrophobicContact CD2-CG1 3.95Å; L15-V208 PolarHBondContact N-O 3.29Å; L15-G210 VanDerWaalsContact CD1-N 3.28Å |
| 16 | S | 96.9 | Very high | 89 | Confident | 60 Ų | 60 | 61.7 Ų | 61.7 | 42% | 0.42 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 161.1 | 171.3 | 73.3 | 0 | 0 | 0 | 0 | 111.6 | D18 Q19 V20 | S16-D18 PolarHBondContact O-N 3.43Å; S16-Q19 WeakPolarHBondContact O-CA 3.36Å; S16-Q19 WeakPolarHBondContact O-CB 3.08Å; S16-Q19 PolarHBondContact O-N 2.93Å; S16-V20 WeakPolarHBondContact O-CG2 3.42Å; S16-V20 PolarHBondContact O-N 2.76Å |
| 17 | W | 96.3 | Very high | 90.9 | Very high | 48 Ų | 48 | 58.9 Ų | 58.9 | 18% | 0.182 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -50.6 | -43 | 176.7 | 166.6 | -126.4 | 0 | 0 | 0 | 112.6 | Q19 V20 R21 M200 E202 H205 | W17-Q19 VanDerWaalsContact C-N 3.33Å; W17-Q19 PolarHBondContact O-N 2.71Å; W17-V20 HydrophobicContact CE3-CB 4.44Å; W17-V20 PolarHBondContact O-N 3.31Å; W17-R21 HydrophobicContact CD2-CB 4.46Å; W17-R21 HydrophobicContact CH2-CB 4.44Å; W17-R21 HydrophobicContact CZ2-CB 4.38Å; W17-R21 HydrophobicContact CZ2-CG 4.45Å; W17-R21 HydrophobicContact CZ3-CB 4.48Å; W17-R21 WeakPolarHBondContact O-CB 3.29Å; W17-R21 PolarHBondContact O-N 3.25Å; W17-M200 HydrophobicContact CH2-CB 3.94Å; W17-M200 HydrophobicContact CZ3-CB 4.01Å; W17-E202 HydrophobicContact CB-CG 4.27Å; W17-E202 HydrophobicContact CD2-CB 4.24Å; W17-E202 HydrophobicContact CG-CB 3.99Å; W17-E202 HydrophobicContact CG-CG 3.9Å; W17-H205 HydrophobicContact CE3-CB 3.81Å; W17-H205 AromaticContact CE3-CD2 3.4Å; W17-H205 AromaticContact CE3-CG 3.71Å; W17-H205 HydrophobicContact CZ3-CB 3.65Å |
| 18 | D | 96.1 | Very high | 92.8 | Very high | 69 Ų | 69 | 59.4 Ų | 59.4 | 37% | 0.369 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.1 | -36.4 | 177.2 | -87.6 | -44.4 | 0 | 0 | 0 | 113.8 | S16 R21 R22 | S16-D18 PolarHBondContact O-N 3.43Å; D18-R21 IonicContact OD1-CZ 3.29Å; D18-R21 IonicContact OD1-NE 3.68Å; D18-R21 PolarHBondContact OD1-NE 3.27Å; D18-R21 IonicContact OD1-NH2 2.67Å; D18-R21 PolarHBondContact OD1-NH2 3.31Å; D18-R22 WeakPolarHBondContact O-CG 3.23Å; D18-R22 PolarHBondContact O-N 3.42Å |
| 19 | Q | 96.6 | Very high | 94.3 | Very high | 31 Ų | 31 | 58.3 Ų | 58.3 | 15% | 0.145 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -70.5 | -44.3 | 174.7 | -67.5 | 169.7 | -27.3 | 0 | 0 | 110.6 | L15 S16 W17 R21 R22 L23 V77 L78 | L15-Q19 HydrophobicContact CB-CB 3.88Å; L15-Q19 HydrophobicContact CD2-CB 3.91Å; L15-Q19 HydrophobicContact CG-CB 3.83Å; S16-Q19 WeakPolarHBondContact O-CA 3.36Å; S16-Q19 WeakPolarHBondContact O-CB 3.08Å; S16-Q19 PolarHBondContact O-N 2.93Å; W17-Q19 VanDerWaalsContact C-N 3.33Å; W17-Q19 PolarHBondContact O-N 2.71Å; Q19-R21 VanDerWaalsContact C-N 3.32Å; Q19-R21 PolarHBondContact O-N 2.86Å; Q19-R22 VanDerWaalsContact CG-NH2 3.3Å; Q19-R22 PolarHBondContact O-N 2.75Å; Q19-L23 WeakPolarHBondContact O-CB 3.3Å; Q19-L23 PolarHBondContact O-N 3.19Å; Q19-V77 HydrophobicContact CB-CG1 4.32Å; Q19-V77 WeakPolarHBondContact O-CG1 3.42Å; Q19-L78 PolarHBondContact NE2-O 2.82Å; Q19-L78 VanDerWaalsContact NE2-O 3.16Å |
| 20 | V | 97.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.1 | -41.7 | 174.7 | 177.2 | 0 | 0 | 0 | 0 | 111.2 | L15 S16 W17 L23 N24 M200 H205 V208 | L15-V20 HydrophobicContact CB-CG2 3.88Å; S16-V20 WeakPolarHBondContact O-CG2 3.42Å; S16-V20 PolarHBondContact O-N 2.76Å; W17-V20 HydrophobicContact CE3-CB 4.44Å; W17-V20 PolarHBondContact O-N 3.31Å; V20-L23 PolarHBondContact O-N 3.19Å; V20-N24 VanDerWaalsContact O-CB 3.32Å; V20-N24 WeakPolarHBondContact O-CB 3.29Å; V20-N24 PolarHBondContact O-N 3.41Å; V20-M200 HydrophobicContact CG1-SD 4.48Å; V20-H205 HydrophobicContact CG1-CB 4.42Å; V20-V208 HydrophobicContact CG1-CG2 4.23Å; V20-V208 HydrophobicContact CG2-CB 4.02Å; V20-V208 HydrophobicContact CG2-CG2 3.93Å |
| 21 | R | 95.9 | Very high | 95.3 | Very high | 137 Ų | 137 | 50.6 Ų | 50.6 | 52% | 0.517 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.2 | -44.8 | 176.7 | -177.2 | 170.9 | 68.2 | 125 | -5.6 | 112.2 | W17 D18 Q19 S25 | W17-R21 HydrophobicContact CD2-CB 4.46Å; W17-R21 HydrophobicContact CH2-CB 4.44Å; W17-R21 HydrophobicContact CZ2-CB 4.38Å; W17-R21 HydrophobicContact CZ2-CG 4.45Å; W17-R21 HydrophobicContact CZ3-CB 4.48Å; W17-R21 WeakPolarHBondContact O-CB 3.29Å; W17-R21 PolarHBondContact O-N 3.25Å; D18-R21 IonicContact OD1-CZ 3.29Å; D18-R21 IonicContact OD1-NE 3.68Å; D18-R21 PolarHBondContact OD1-NE 3.27Å; D18-R21 IonicContact OD1-NH2 2.67Å; D18-R21 PolarHBondContact OD1-NH2 3.31Å; Q19-R21 VanDerWaalsContact C-N 3.32Å; Q19-R21 PolarHBondContact O-N 2.86Å; R21-S25 PolarHBondContact O-N 2.86Å |
| 22 | R | 95.4 | Very high | 95.2 | Very high | 51 Ų | 51 | 49.2 Ų | 49.2 | 19% | 0.192 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64 | -45.1 | 173.8 | -76.6 | -170.1 | -62.9 | -88.9 | -0.9 | 112.1 | D18 Q19 N24 S25 I26 V77 L78 | D18-R22 WeakPolarHBondContact O-CG 3.23Å; D18-R22 PolarHBondContact O-N 3.42Å; Q19-R22 VanDerWaalsContact CG-NH2 3.3Å; Q19-R22 PolarHBondContact O-N 2.75Å; R22-N24 PolarHBondContact O-N 3.18Å; R22-S25 WeakPolarHBondContact O-CB 3.24Å; R22-S25 PolarHBondContact O-N 3.29Å; R22-I26 WeakPolarHBondContact O-CG1 3.41Å; R22-I26 PolarHBondContact O-N 3.2Å; R22-V77 VanDerWaalsContact CZ-O 3.3Å; R22-V77 PolarHBondContact NE-O 2.87Å; R22-V77 PolarHBondContact NH2-O 3.13Å; R22-L78 PolarHBondContact NH2-O 3.13Å |
| 23 | L | 96.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -55.9 | -50.4 | 175.7 | -179.5 | 65.1 | 0 | 0 | 0 | 111.5 | L15 Q19 V20 S25 I26 I27 L69 V77 I184 L186 L189 V208 | L15-L23 HydrophobicContact CD2-CD2 4.47Å; Q19-L23 WeakPolarHBondContact O-CB 3.3Å; Q19-L23 PolarHBondContact O-N 3.19Å; V20-L23 PolarHBondContact O-N 3.19Å; L23-S25 VanDerWaalsContact C-N 3.29Å; L23-S25 PolarHBondContact O-N 3.21Å; L23-I26 PolarHBondContact O-N 3.33Å; L23-I26 VanDerWaalsContact O-N 3.17Å; L23-I27 HydrophobicContact CD1-CG2 4.41Å; L23-I27 PolarHBondContact O-N 3.16Å; L23-L69 HydrophobicContact CD1-CD2 3.59Å; L23-V77 HydrophobicContact CB-CG1 3.9Å; L23-V77 HydrophobicContact CB-CG2 4.16Å; L23-V77 HydrophobicContact CD1-CG2 3.99Å; L23-I184 HydrophobicContact CD1-CG2 4.35Å; L23-I184 HydrophobicContact CD2-CG2 3.74Å; L23-L186 HydrophobicContact CD1-CD2 3.89Å; L23-L186 HydrophobicContact CD2-CD2 4.21Å; L23-L186 HydrophobicContact CG-CD2 4.38Å; L23-L189 HydrophobicContact CD2-CD2 3.66Å; L23-L189 HydrophobicContact CG-CD2 3.77Å; L23-V208 HydrophobicContact CD2-CG1 3.78Å |
| 24 | N | 95.4 | Very high | 95 | Very high | 32 Ų | 32 | 45.4 Ų | 45.4 | 17% | 0.171 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.5 | -38.8 | 178.1 | 179.8 | 57 | 0 | 0 | 0 | 112.5 | V20 R22 R28 L189 M200 | V20-N24 VanDerWaalsContact O-CB 3.32Å; V20-N24 WeakPolarHBondContact O-CB 3.29Å; V20-N24 PolarHBondContact O-N 3.41Å; R22-N24 PolarHBondContact O-N 3.18Å; N24-R28 VanDerWaalsContact O-CB 3.3Å; N24-R28 WeakPolarHBondContact O-CB 3.31Å; N24-R28 WeakPolarHBondContact O-CG 3.42Å; N24-R28 PolarHBondContact O-N 2.85Å; N24-R28 VanDerWaalsContact OD1-CD 3.32Å; N24-R28 WeakPolarHBondContact OD1-CD 3.42Å; N24-L189 HydrophobicContact CB-CD2 4.49Å; N24-M200 HydrophobicContact CB-CE 3.87Å; N24-M200 WeakPolarHBondContact ND2-CE 3.3Å; N24-M200 VanDerWaalsContact OD1-CE 3.23Å; N24-M200 WeakPolarHBondContact OD1-CE 3.33Å |
| 25 | S | 93.9 | Very high | 94.8 | Very high | 74 Ų | 74 | 42 Ų | 42 | 52% | 0.517 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.8 | -48.5 | 174.4 | -165.4 | 0 | 0 | 0 | 0 | 111.4 | R21 R22 L23 R28 E29 | R21-S25 PolarHBondContact O-N 2.86Å; R22-S25 WeakPolarHBondContact O-CB 3.24Å; R22-S25 PolarHBondContact O-N 3.29Å; L23-S25 VanDerWaalsContact C-N 3.29Å; L23-S25 PolarHBondContact O-N 3.21Å; S25-R28 PolarHBondContact O-N 3.16Å; S25-E29 PolarHBondContact O-N 3.1Å |
| 26 | I | 93.4 | Very high | 94.6 | Very high | 10 Ų | 10 | 48 Ų | 48 | 5% | 0.051 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.4 | -43.4 | -178.3 | -66.4 | 171.2 | 0 | 0 | 0 | 111.6 | R22 L23 R28 E29 V77 Y86 L89 | R22-I26 WeakPolarHBondContact O-CG1 3.41Å; R22-I26 PolarHBondContact O-N 3.2Å; L23-I26 PolarHBondContact O-N 3.33Å; L23-I26 VanDerWaalsContact O-N 3.17Å; I26-R28 VanDerWaalsContact C-N 3.26Å; I26-R28 PolarHBondContact O-N 3.25Å; I26-E29 PolarHBondContact O-N 2.69Å; I26-V77 HydrophobicContact CD1-CG2 3.64Å; I26-Y86 HydrophobicContact CD1-CE1 4.32Å; I26-Y86 HydrophobicContact CG1-CE1 4.42Å; I26-L89 HydrophobicContact CG2-CD1 3.63Å |
| 27 | I | 94.1 | Very high | 94.3 | Very high | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -75.1 | -14.5 | -178.5 | 67.7 | 161.5 | 0 | 0 | 0 | 114 | L23 P46 R47 L186 L189 | L23-I27 HydrophobicContact CD1-CG2 4.41Å; L23-I27 PolarHBondContact O-N 3.16Å; I27-P46 HydrophobicContact CB-CB 4.47Å; I27-P46 WeakPolarHBondContact O-CD 3.29Å; I27-R47 HydrophobicContact CB-CB 4.38Å; I27-R47 HydrophobicContact CD1-CB 4.31Å; I27-R47 HydrophobicContact CG1-CB 4.49Å; I27-R47 WeakPolarHBondContact O-CB 3.43Å; I27-R47 PolarHBondContact O-N 2.83Å; I27-L186 HydrophobicContact CG2-CD2 4.43Å; I27-L189 HydrophobicContact CD1-CD2 3.46Å; I27-L189 VanDerWaalsContact CD1-CD2 3.46Å; I27-L189 HydrophobicContact CD1-CG 3.89Å; I27-L189 HydrophobicContact CG1-CD2 4.27Å |
| 28 | R | 93.3 | Very high | 94 | Very high | 117 Ų | 117 | 54.7 Ų | 54.7 | 44% | 0.442 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -101 | -14.3 | 175.9 | -73.6 | 178.6 | 140.8 | -109 | -3.5 | 114.1 | N24 S25 I26 A30 Q45 | N24-R28 VanDerWaalsContact O-CB 3.3Å; N24-R28 WeakPolarHBondContact O-CB 3.31Å; N24-R28 WeakPolarHBondContact O-CG 3.42Å; N24-R28 PolarHBondContact O-N 2.85Å; N24-R28 VanDerWaalsContact OD1-CD 3.32Å; N24-R28 WeakPolarHBondContact OD1-CD 3.42Å; S25-R28 PolarHBondContact O-N 3.16Å; I26-R28 VanDerWaalsContact C-N 3.26Å; I26-R28 PolarHBondContact O-N 3.25Å; R28-A30 PolarHBondContact O-N 2.7Å; R28-Q45 WeakPolarHBondContact O-CG 3.32Å; R28-Q45 PolarHBondContact O-NE2 3.12Å |
| 29 | E | 91.9 | Very high | 93.8 | Very high | 89 Ų | 89 | 53.9 Ų | 53.9 | 42% | 0.416 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -61.7 | 128.7 | 172.9 | -167.4 | 179.5 | 161.7 | 0 | 0 | 108.8 | S25 I26 P46 Y86 | S25-E29 PolarHBondContact O-N 3.1Å; I26-E29 PolarHBondContact O-N 2.69Å; E29-P46 WeakPolarHBondContact O-CD 3.31Å; E29-Y86 PolarHBondContact OE2-OH 3.46Å |
| 30 | A | 92.9 | Very high | 93.7 | Very high | 52 Ų | 52 | 54.4 Ų | 54.4 | 43% | 0.43 | 29% | 0.291 | S | S | . | . | trans | -81.1 | 121.7 | 178 | 0 | 0 | 0 | 0 | 0 | 109.6 | R28 Q45 | R28-A30 PolarHBondContact O-N 2.7Å; A30-Q45 HydrophobicContact CB-CG 4.4Å | ||
| 31 | I | 91.8 | Very high | 93.6 | Very high | 8 Ų | 8 | 58 Ų | 58 | 4% | 0.041 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 132.6 | -175.5 | -55.2 | -177.6 | 0 | 0 | 0 | 109.5 | I33 L44 P46 L89 V163 | I31-I33 PolarHBondContact O-N 3.29Å; I31-L44 PolarHBondContact N-O 3.43Å; I31-L44 PolarHBondContact O-N 3.4Å; I31-L44 VanDerWaalsContact O-N 3.15Å; I31-P46 HydrophobicContact CD1-CG 3.72Å; I31-P46 HydrophobicContact CG1-CG 4.35Å; I31-L89 HydrophobicContact CD1-CD2 4Å; I31-V163 HydrophobicContact CD1-CG2 4.32Å; I31-V163 HydrophobicContact CG2-CG2 4.17Å |
| 32 | P | 93.5 | Very high | 93.6 | Very high | 43 Ų | 43 | 51.8 Ų | 51.8 | 28% | 0.279 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 113.5 | 177.5 | 30.9 | -34.2 | 0 | 0 | 0 | 112 | H34 T41 L42 N157 | P32-H34 PolarHBondContact O-ND1 3.39Å; P32-H34 VanDerWaalsContact O-ND1 3.11Å; P32-T41 HydrophobicContact CB-CG2 3.74Å; P32-L42 CarbonylContact C-O 3.54Å; P32-L42 WeakPolarHBondContact CA-O 3.46Å; P32-N157 PolarHBondContact O-OD1 2.98Å |
| 33 | I | 95 | Very high | 93.5 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 111.9 | 170.1 | -68.8 | 152.4 | 0 | 0 | 0 | 108.1 | I31 T41 L42 L44 I49 Y136 L155 S156 | I31-I33 PolarHBondContact O-N 3.29Å; I33-T41 CarbonylContact O-C 3.59Å; I33-T41 WeakPolarHBondContact O-CA 3.14Å; I33-L42 HydrophobicContact CB-CB 4.3Å; I33-L42 PolarHBondContact N-O 3.35Å; I33-L42 PolarHBondContact O-N 3.23Å; I33-L44 HydrophobicContact CD1-CB 4.37Å; I33-L44 HydrophobicContact CD1-CD1 3.9Å; I33-L44 HydrophobicContact CD1-CG 4.49Å; I33-I49 HydrophobicContact CD1-CD1 3.97Å; I33-Y136 HydrophobicContact CG2-CD1 3.95Å; I33-L155 HydrophobicContact CD1-CB 4.41Å; I33-L155 HydrophobicContact CD1-CD1 3.79Å; I33-L155 HydrophobicContact CG1-CB 4.18Å; I33-L155 HydrophobicContact CG1-CD1 4.46Å; I33-L155 HydrophobicContact CG2-CB 4.03Å; I33-S156 CarbonylContact C-O 3.44Å; I33-S156 WeakPolarHBondContact CA-O 3.41Å |
| 34 | H | 94.3 | Very high | 93.3 | Very high | 36 Ų | 36 | 54.1 Ų | 54.1 | 17% | 0.167 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -84.9 | 124.4 | -168.5 | -69.3 | 74.3 | 0 | 0 | 0 | 111.1 | P32 S156 N157 N158 | P32-H34 PolarHBondContact O-ND1 3.39Å; P32-H34 VanDerWaalsContact O-ND1 3.11Å; H34-S156 PolarHBondContact N-O 3.45Å; H34-N157 PolarHBondContact CE1-OD1 3.48Å; H34-N157 VanDerWaalsContact CE1-OD1 3.23Å; H34-N157 PolarHBondContact ND1-OD1 3.22Å; H34-N158 PolarHBondContact CD2-ND2 2.78Å; H34-N158 PolarHBondContact ND1-N 2.84Å |
| 35 | G | 93.6 | Very high | 93.3 | Very high | 17 Ų | 17 | 54.9 Ų | 54.9 | 18% | 0.175 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -78.2 | 139.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 36 | R | 92.4 | Very high | 93.3 | Very high | 131 Ų | 131 | 51.4 Ų | 51.4 | 49% | 0.494 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -80.4 | 146 | 171.4 | -67.7 | 178.9 | 178.9 | 171.9 | -0.4 | 111.4 | N38 F39 E134 A135 | R36-N38 PolarHBondContact O-N 3.08Å; R36-F39 PolarHBondContact O-N 3.01Å; R36-E134 WeakPolarHBondContact CD-O 3.43Å; R36-A135 WeakPolarHBondContact CG-O 3.38Å; R36-A135 PolarHBondContact N-O 3.46Å |
| 37 | G | 89.9 | Confident | 93.3 | Very high | 76 Ų | 76 | 52.6 Ų | 52.6 | 78% | 0.784 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.9 | -126.2 | -178 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 38 | N | 89.8 | Confident | 93.3 | Very high | 174 Ų | 174 | 56 Ų | 56 | 93% | 0.93 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | 11.6 | -176.4 | -60.8 | -24 | 0 | 0 | 0 | 113.7 | R36 | R36-N38 PolarHBondContact O-N 3.08Š|
| 39 | F | 93.5 | Very high | 93.4 | Very high | 52 Ų | 52 | 50.6 Ų | 50.6 | 23% | 0.228 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -78.2 | 135.8 | 177.3 | -83.9 | -94.3 | 0 | 0 | 0 | 111.1 | R36 I127 T131 L132 A135 Y136 | R36-F39 PolarHBondContact O-N 3.01Å; F39-I127 HydrophobicContact CE1-CD1 4.31Å; F39-I127 HydrophobicContact CE1-CG2 4.34Å; F39-T131 HydrophobicContact CE2-CG2 3.8Å; F39-T131 HydrophobicContact CZ-CG2 3.52Å; F39-L132 HydrophobicContact CE1-CD2 4.4Å; F39-A135 HydrophobicContact CB-CB 3.99Å; F39-A135 HydrophobicContact CD1-CB 3.83Å; F39-A135 HydrophobicContact CD2-CB 3.6Å; F39-A135 HydrophobicContact CE1-CB 4.23Å; F39-A135 HydrophobicContact CE2-CB 4.03Å; F39-A135 HydrophobicContact CG-CB 3.5Å; F39-A135 VanDerWaalsContact CG-CB 3.5Å; F39-A135 HydrophobicContact CZ-CB 4.34Å; F39-Y136 HydrophobicContact CB-CE1 4.49Å; F39-Y136 HydrophobicContact CB-CE2 4.42Å; F39-Y136 AromaticContact CD1-CE2 3.79Å; F39-Y136 HydrophobicContact CD1-CE2 3.79Å; F39-Y136 HydrophobicContact CG-CE2 4.42Å |
| 40 | P | 94.1 | Very high | 93.6 | Very high | 42 Ų | 42 | 46.4 Ų | 46.4 | 27% | 0.273 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 147.8 | -178 | 29.1 | -35.4 | 0 | 0 | 0 | 111.4 | L42 L118 P119 V122 Y136 | P40-L42 PolarHBondContact O-N 2.71Å; P40-L118 HydrophobicContact CG-CD2 4.01Å; P40-P119 HydrophobicContact CB-CG 4.21Å; P40-P119 HydrophobicContact CG-CG 3.99Å; P40-V122 HydrophobicContact CG-CG2 4.41Å; P40-Y136 WeakPolarHBondContact CD-OH 3.39Å; P40-Y136 VanDerWaalsContact O-CE1 3.28Å; P40-Y136 WeakPolarHBondContact O-CE1 3.32Å; P40-Y136 PolarHBondContact O-OH 3.17Å |
| 41 | T | 94.9 | Very high | 93.7 | Very high | 76 Ų | 76 | 45.9 Ų | 45.9 | 47% | 0.466 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -66 | 126.5 | 166.6 | -58.3 | 0 | 0 | 0 | 0 | 109.5 | P32 I33 | P32-T41 HydrophobicContact CB-CG2 3.74Å; I33-T41 CarbonylContact O-C 3.59Å; I33-T41 WeakPolarHBondContact O-CA 3.14Å |
| 42 | L | 94.9 | Very high | 93.9 | Very high | 5 Ų | 5 | 47.7 Ų | 47.7 | 3% | 0.026 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 138.2 | 172.9 | -46.3 | 178.7 | 0 | 0 | 0 | 108.6 | P32 I33 P40 L44 L114 F117 L118 Y136 | P32-L42 CarbonylContact C-O 3.54Å; P32-L42 WeakPolarHBondContact CA-O 3.46Å; I33-L42 HydrophobicContact CB-CB 4.3Å; I33-L42 PolarHBondContact N-O 3.35Å; I33-L42 PolarHBondContact O-N 3.23Å; P40-L42 PolarHBondContact O-N 2.71Å; L42-L44 HydrophobicContact CB-CD1 4.15Å; L42-L44 HydrophobicContact CB-CG 4.05Å; L42-L44 HydrophobicContact CD1-CD1 4.23Å; L42-L114 HydrophobicContact CD1-CD2 3.94Å; L42-F117 HydrophobicContact CD1-CB 4.16Å; L42-L118 HydrophobicContact CD2-CD2 4.11Å; L42-Y136 HydrophobicContact CD1-CD1 4.32Å; L42-Y136 HydrophobicContact CD1-CE1 4.04Å; L42-Y136 HydrophobicContact CD1-CE2 4.48Å; L42-Y136 HydrophobicContact CD2-CE1 4.32Å; L42-Y136 HydrophobicContact CG-CD1 4.45Å; L42-Y136 HydrophobicContact CG-CE1 3.78Å |
| 43 | S | 93.6 | Very high | 94.1 | Very high | 88 Ų | 88 | 45.7 Ų | 45.7 | 62% | 0.615 | 26% | 0.259 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 102.1 | 173.3 | -173.1 | 0 | 0 | 0 | 0 | 108.2 | ||
| 44 | L | 93.6 | Very high | 94.2 | Very high | 12 Ų | 12 | 48.4 Ų | 48.4 | 6% | 0.063 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 139.7 | -168.6 | -62 | -179.8 | 0 | 0 | 0 | 111.7 | I31 I33 L42 I49 F117 | I31-L44 PolarHBondContact N-O 3.43Å; I31-L44 PolarHBondContact O-N 3.4Å; I31-L44 VanDerWaalsContact O-N 3.15Å; I33-L44 HydrophobicContact CD1-CB 4.37Å; I33-L44 HydrophobicContact CD1-CD1 3.9Å; I33-L44 HydrophobicContact CD1-CG 4.49Å; L42-L44 HydrophobicContact CB-CD1 4.15Å; L42-L44 HydrophobicContact CB-CG 4.05Å; L42-L44 HydrophobicContact CD1-CD1 4.23Å; L44-I49 HydrophobicContact CB-CD1 3.94Å; L44-I49 HydrophobicContact CB-CG1 4.04Å; L44-I49 HydrophobicContact CD1-CD1 4.22Å; L44-I49 HydrophobicContact CD1-CG1 4.11Å; L44-F117 HydrophobicContact CD1-CB 3.86Å; L44-F117 HydrophobicContact CD1-CD1 4.13Å; L44-F117 HydrophobicContact CD1-CD2 3.36Å; L44-F117 HydrophobicContact CD1-CE2 3.89Å; L44-F117 HydrophobicContact CD1-CG 3.52Å; L44-F117 HydrophobicContact CD1-CZ 4.47Å; L44-F117 HydrophobicContact CD2-CB 3.91Å; L44-F117 HydrophobicContact CD2-CD1 3.62Å; L44-F117 HydrophobicContact CD2-CD2 4.37Å; L44-F117 HydrophobicContact CD2-CE1 4.24Å; L44-F117 HydrophobicContact CD2-CG 3.71Å; L44-F117 HydrophobicContact CG-CB 4.49Å; L44-F117 HydrophobicContact CG-CG 4.3Å |
| 45 | Q | 94 | Very high | 94.3 | Very high | 48 Ų | 48 | 48.8 Ų | 48.8 | 22% | 0.224 | 28% | 0.278 | C | S | . | . | trans | -82.9 | 137.7 | 170.3 | -59.8 | 178.8 | -31.9 | 0 | 0 | 109.7 | R28 A30 R47 Q48 I49 | R28-Q45 WeakPolarHBondContact O-CG 3.32Å; R28-Q45 PolarHBondContact O-NE2 3.12Å; A30-Q45 HydrophobicContact CB-CG 4.4Å; Q45-R47 PolarHBondContact O-N 2.74Å; Q45-Q48 HydrophobicContact CB-CB 4.33Å; Q45-Q48 HydrophobicContact CB-CG 3.96Å; Q45-Q48 WeakPolarHBondContact O-CB 3.49Å; Q45-Q48 PolarHBondContact O-N 2.67Å; Q45-I49 PolarHBondContact O-N 3.21Å; Q45-I49 VanDerWaalsContact O-N 3.09Å | ||
| 46 | P | 94.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -53.2 | -38.7 | 174 | -29.2 | 35.6 | 0 | 0 | 0 | 113.5 | I27 E29 I31 Q48 I49 V50 L89 L91 | I27-P46 HydrophobicContact CB-CB 4.47Å; I27-P46 WeakPolarHBondContact O-CD 3.29Å; E29-P46 WeakPolarHBondContact O-CD 3.31Å; I31-P46 HydrophobicContact CD1-CG 3.72Å; I31-P46 HydrophobicContact CG1-CG 4.35Å; P46-Q48 PolarHBondContact O-N 2.84Å; P46-I49 PolarHBondContact O-N 3.12Å; P46-V50 WeakPolarHBondContact O-CG2 3.44Å; P46-V50 PolarHBondContact O-N 3.07Å; P46-L89 HydrophobicContact CB-CD2 3.43Å; P46-L89 VanDerWaalsContact CB-CD2 3.43Å; P46-L89 HydrophobicContact CG-CD2 3.2Å; P46-L91 HydrophobicContact CB-CD1 4.45Å |
| 47 | R | 94.3 | Very high | 94.6 | Very high | 35 Ų | 35 | 45.6 Ų | 45.6 | 13% | 0.132 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -52.6 | -49.8 | 171.2 | 168.7 | 177.8 | 162.1 | 175.1 | 0.8 | 112.2 | I27 Q45 V50 Q51 L190 D193 | I27-R47 HydrophobicContact CB-CB 4.38Å; I27-R47 HydrophobicContact CD1-CB 4.31Å; I27-R47 HydrophobicContact CG1-CB 4.49Å; I27-R47 WeakPolarHBondContact O-CB 3.43Å; I27-R47 PolarHBondContact O-N 2.83Å; Q45-R47 PolarHBondContact O-N 2.74Å; R47-V50 PolarHBondContact O-N 3.48Å; R47-Q51 HydrophobicContact CG-CG 4.4Å; R47-Q51 WeakPolarHBondContact O-CB 3.3Å; R47-Q51 VanDerWaalsContact O-CG 3.24Å; R47-Q51 WeakPolarHBondContact O-CG 3.42Å; R47-Q51 PolarHBondContact O-N 3.39Å; R47-L190 HydrophobicContact CG-CD2 4.01Å; R47-D193 WeakPolarHBondContact CD-OD2 3.48Å; R47-D193 VanDerWaalsContact CZ-CB 3.47Å; R47-D193 IonicContact CZ-OD1 3.28Å; R47-D193 VanDerWaalsContact CZ-OD1 3.32Å; R47-D193 IonicContact CZ-OD2 3.32Å; R47-D193 IonicContact NE-OD2 2.76Å; R47-D193 PolarHBondContact NE-OD2 3.06Å; R47-D193 IonicContact NH1-OD1 2.68Å; R47-D193 PolarHBondContact NH1-OD1 3.29Å; R47-D193 IonicContact NH1-OD2 2.66Å; R47-D193 PolarHBondContact NH1-OD2 3.15Å; R47-D193 PolarHBondContact NH2-O 3.04Å; R47-D193 IonicContact NH2-OD1 2.96Å; R47-D193 IonicContact NH2-OD2 3.52Å |
| 48 | Q | 94.1 | Very high | 94.9 | Very high | 74 Ų | 74 | 46.1 Ų | 46.1 | 35% | 0.346 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64 | -42.4 | -179.6 | -67.5 | 167.8 | -30.2 | 0 | 0 | 111.1 | Q45 P46 Q51 V52 | Q45-Q48 HydrophobicContact CB-CB 4.33Å; Q45-Q48 HydrophobicContact CB-CG 3.96Å; Q45-Q48 WeakPolarHBondContact O-CB 3.49Å; Q45-Q48 PolarHBondContact O-N 2.67Å; P46-Q48 PolarHBondContact O-N 2.84Å; Q48-Q51 PolarHBondContact O-N 2.88Å; Q48-V52 WeakPolarHBondContact O-CB 3.41Å; Q48-V52 WeakPolarHBondContact O-CG2 3.45Å; Q48-V52 PolarHBondContact O-N 3.22Å |
| 49 | I | 95.3 | Very high | 95.2 | Very high | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.015 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.4 | -49.2 | 176.2 | -60.5 | 171.4 | 0 | 0 | 0 | 110 | I33 L44 Q45 P46 V53 F117 V163 L165 | I33-I49 HydrophobicContact CD1-CD1 3.97Å; L44-I49 HydrophobicContact CB-CD1 3.94Å; L44-I49 HydrophobicContact CB-CG1 4.04Å; L44-I49 HydrophobicContact CD1-CD1 4.22Å; L44-I49 HydrophobicContact CD1-CG1 4.11Å; Q45-I49 PolarHBondContact O-N 3.21Å; Q45-I49 VanDerWaalsContact O-N 3.09Å; P46-I49 PolarHBondContact O-N 3.12Å; I49-V53 HydrophobicContact CG2-CG2 4.15Å; I49-V53 VanDerWaalsContact O-CB 3.24Å; I49-V53 WeakPolarHBondContact O-CB 3.3Å; I49-V53 WeakPolarHBondContact O-CG2 3.37Å; I49-V53 PolarHBondContact O-N 2.98Å; I49-F117 HydrophobicContact CG1-CE2 4.28Å; I49-F117 HydrophobicContact CG1-CZ 4.35Å; I49-V163 HydrophobicContact CD1-CG1 4.31Å; I49-L165 HydrophobicContact CG2-CD1 4.08Å; I49-L165 HydrophobicContact CG2-CD2 3.85Å |
| 50 | V | 96.3 | Very high | 95.2 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.012 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.7 | -47.5 | 178.8 | 172.8 | 0 | 0 | 0 | 0 | 112 | P46 R47 R54 V67 L91 F93 L190 | P46-V50 WeakPolarHBondContact O-CG2 3.44Å; P46-V50 PolarHBondContact O-N 3.07Å; R47-V50 PolarHBondContact O-N 3.48Å; V50-R54 WeakPolarHBondContact O-CB 3.17Å; V50-R54 PolarHBondContact O-N 2.87Å; V50-V67 HydrophobicContact CG1-CB 4.08Å; V50-V67 HydrophobicContact CG1-CG1 3.71Å; V50-V67 HydrophobicContact CG1-CG2 4.01Å; V50-V67 HydrophobicContact CG2-CG1 4.14Å; V50-L91 HydrophobicContact CG2-CD1 3.8Å; V50-L91 HydrophobicContact CG2-CD2 4.09Å; V50-L91 HydrophobicContact CG2-CG 4.45Å; V50-F93 HydrophobicContact CB-CZ 4.4Å; V50-F93 HydrophobicContact CG1-CE1 4.19Å; V50-F93 HydrophobicContact CG1-CZ 4.46Å; V50-F93 HydrophobicContact CG2-CZ 4.02Å; V50-L190 HydrophobicContact CB-CD1 4.48Å; V50-L190 HydrophobicContact CG1-CD1 3.5Å |
| 51 | Q | 94.8 | Very high | 95.1 | Very high | 41 Ų | 41 | 49.3 Ų | 49.3 | 19% | 0.192 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.5 | -50.5 | -179.3 | -73.7 | 174 | -43.2 | 0 | 0 | 111.6 | R47 Q48 A55 L190 H194 | R47-Q51 HydrophobicContact CG-CG 4.4Å; R47-Q51 WeakPolarHBondContact O-CB 3.3Å; R47-Q51 VanDerWaalsContact O-CG 3.24Å; R47-Q51 WeakPolarHBondContact O-CG 3.42Å; R47-Q51 PolarHBondContact O-N 3.39Å; Q48-Q51 PolarHBondContact O-N 2.88Å; Q51-A55 WeakPolarHBondContact O-CB 3.43Å; Q51-A55 PolarHBondContact O-N 3.44Å; Q51-A55 VanDerWaalsContact O-N 3.08Å; Q51-L190 HydrophobicContact CG-CD2 4.16Å; Q51-H194 PolarHBondContact NE2-CE1 3.48Å; Q51-H194 PolarHBondContact NE2-NE2 2.91Å |
| 52 | V | 95.9 | Very high | 95.1 | Very high | 46 Ų | 46 | 46 Ų | 46 | 28% | 0.279 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -69.1 | -46.3 | -178.2 | 178.6 | 0 | 0 | 0 | 0 | 111.2 | Q48 R54 A55 R56 C113 F117 | Q48-V52 WeakPolarHBondContact O-CB 3.41Å; Q48-V52 WeakPolarHBondContact O-CG2 3.45Å; Q48-V52 PolarHBondContact O-N 3.22Å; V52-R54 PolarHBondContact O-N 3.08Å; V52-A55 PolarHBondContact O-N 2.77Å; V52-R56 HydrophobicContact CG1-CG 4.24Å; V52-R56 WeakPolarHBondContact O-CB 3.44Å; V52-R56 VanDerWaalsContact O-CG 3.26Å; V52-R56 WeakPolarHBondContact O-CG 3.4Å; V52-R56 PolarHBondContact O-N 2.85Å; V52-C113 HydrophobicContact CG1-CB 4.36Å; V52-F117 HydrophobicContact CB-CE1 4.39Å; V52-F117 HydrophobicContact CB-CZ 4Å; V52-F117 HydrophobicContact CG1-CZ 4.24Å; V52-F117 HydrophobicContact CG2-CE1 4.12Å; V52-F117 HydrophobicContact CG2-CZ 4.21Å |
| 53 | V | 97.3 | Very high | 94.9 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.7 | -41.9 | 179.3 | 171.6 | 0 | 0 | 0 | 0 | 111 | I49 L57 F93 V110 C113 F167 | I49-V53 HydrophobicContact CG2-CG2 4.15Å; I49-V53 VanDerWaalsContact O-CB 3.24Å; I49-V53 WeakPolarHBondContact O-CB 3.3Å; I49-V53 WeakPolarHBondContact O-CG2 3.37Å; I49-V53 PolarHBondContact O-N 2.98Å; V53-L57 HydrophobicContact CG1-CD1 3.96Å; V53-L57 HydrophobicContact CG1-CG 4.35Å; V53-L57 WeakPolarHBondContact O-CB 3.4Å; V53-L57 VanDerWaalsContact O-CG 3.24Å; V53-L57 WeakPolarHBondContact O-CG 3.39Å; V53-L57 PolarHBondContact O-N 3.16Å; V53-F93 HydrophobicContact CB-CE1 4.18Å; V53-F93 HydrophobicContact CB-CZ 4.19Å; V53-F93 HydrophobicContact CG1-CD1 4.47Å; V53-F93 HydrophobicContact CG1-CE1 3.88Å; V53-F93 HydrophobicContact CG1-CZ 3.97Å; V53-V110 HydrophobicContact CG1-CG2 4.3Å; V53-V110 HydrophobicContact CG2-CG2 4.45Å; V53-C113 HydrophobicContact CG2-CB 4.23Å; V53-F167 HydrophobicContact CG1-CE1 3.84Å; V53-F167 HydrophobicContact CG1-CZ 4.01Å |
| 54 | R | 96.8 | Very high | 95.1 | Very high | 57 Ų | 57 | 45.5 Ų | 45.5 | 22% | 0.215 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.1 | -53.4 | 175.9 | -178.3 | -176.9 | -167.8 | 143.3 | 14.3 | 111.6 | V50 V52 R56 L57 E58 V64 D187 | V50-R54 WeakPolarHBondContact O-CB 3.17Å; V50-R54 PolarHBondContact O-N 2.87Å; V52-R54 PolarHBondContact O-N 3.08Å; R54-R56 VanDerWaalsContact C-N 3.33Å; R54-R56 PolarHBondContact O-N 3.15Å; R54-L57 PolarHBondContact O-N 2.96Å; R54-L57 VanDerWaalsContact O-N 3.16Å; R54-E58 HydrophobicContact CG-CG 4.48Å; R54-E58 VanDerWaalsContact CG-OE1 3.31Å; R54-E58 WeakPolarHBondContact CG-OE1 3.34Å; R54-E58 IonicContact CZ-OE1 3.96Å; R54-E58 IonicContact NE-OE1 2.69Å; R54-E58 PolarHBondContact NE-OE1 3.39Å; R54-E58 IonicContact NH2-OE1 3.76Å; R54-E58 WeakPolarHBondContact O-CG 3.31Å; R54-E58 PolarHBondContact O-N 2.83Å; R54-V64 HydrophobicContact CG-CB 4.14Å; R54-V64 HydrophobicContact CG-CG1 4.28Å; R54-V64 HydrophobicContact CG-CG2 4.11Å; R54-V64 PolarHBondContact NH2-O 2.91Å; R54-D187 IonicContact CZ-OD1 3.41Å; R54-D187 IonicContact NH1-OD1 3.16Å; R54-D187 PolarHBondContact NH1-OD1 3.26Å; R54-D187 IonicContact NH2-OD1 3.97Å |
| 55 | A | 95.6 | Very high | 95.2 | Very high | 43 Ų | 43 | 50.8 Ų | 50.8 | 36% | 0.355 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -57.7 | -45.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q51 V52 L57 E58 E59 | Q51-A55 WeakPolarHBondContact O-CB 3.43Å; Q51-A55 PolarHBondContact O-N 3.44Å; Q51-A55 VanDerWaalsContact O-N 3.08Å; V52-A55 PolarHBondContact O-N 2.77Å; A55-L57 PolarHBondContact O-N 3.11Å; A55-E58 PolarHBondContact O-N 2.96Å; A55-E59 WeakPolarHBondContact O-CB 3.39Å; A55-E59 VanDerWaalsContact O-CG 3.29Å; A55-E59 WeakPolarHBondContact O-CG 3.24Å; A55-E59 PolarHBondContact O-N 2.91Å |
| 56 | R | 96.8 | Very high | 95.3 | Very high | 81 Ų | 81 | 50.2 Ų | 50.2 | 31% | 0.306 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.5 | -34.6 | 177.3 | -69 | -57.4 | -159.6 | -166.4 | 2.8 | 113.8 | V52 R54 E59 R60 V109 D116 | V52-R56 HydrophobicContact CG1-CG 4.24Å; V52-R56 WeakPolarHBondContact O-CB 3.44Å; V52-R56 VanDerWaalsContact O-CG 3.26Å; V52-R56 WeakPolarHBondContact O-CG 3.4Å; V52-R56 PolarHBondContact O-N 2.85Å; R54-R56 VanDerWaalsContact C-N 3.33Å; R54-R56 PolarHBondContact O-N 3.15Å; R56-E59 VanDerWaalsContact CD-OE2 3.23Å; R56-E59 WeakPolarHBondContact CD-OE2 3.49Å; R56-E59 IonicContact CZ-OE2 3.66Å; R56-E59 IonicContact NE-OE2 3.61Å; R56-E59 IonicContact NH1-OE1 2.68Å; R56-E59 IonicContact NH1-OE2 2.81Å; R56-E59 PolarHBondContact NH1-OE2 3.46Å; R56-R60 WeakPolarHBondContact O-CB 3.26Å; R56-R60 WeakPolarHBondContact O-CG 3.41Å; R56-R60 PolarHBondContact O-N 2.91Å; R56-V109 HydrophobicContact CB-CG1 3.51Å; R56-V109 HydrophobicContact CB-CG2 4.42Å; R56-D116 IonicContact CZ-OD2 3.61Å; R56-D116 IonicContact NE-OD2 3.51Å; R56-D116 IonicContact NH2-OD2 2.7Å; R56-D116 PolarHBondContact NH2-OD2 2.91Å |
| 57 | L | 96.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.8 | -47.2 | 174.2 | -75.6 | 173.9 | 0 | 0 | 0 | 111.1 | V53 R54 A55 R60 G61 V62 V64 V95 V106 V109 F167 | V53-L57 HydrophobicContact CG1-CD1 3.96Å; V53-L57 HydrophobicContact CG1-CG 4.35Å; V53-L57 WeakPolarHBondContact O-CB 3.4Å; V53-L57 VanDerWaalsContact O-CG 3.24Å; V53-L57 WeakPolarHBondContact O-CG 3.39Å; V53-L57 PolarHBondContact O-N 3.16Å; R54-L57 PolarHBondContact O-N 2.96Å; R54-L57 VanDerWaalsContact O-N 3.16Å; A55-L57 PolarHBondContact O-N 3.11Å; L57-R60 CarbonylContact O-C 3.33Å; L57-R60 PolarHBondContact O-N 3.39Å; L57-G61 PolarHBondContact O-N 2.96Å; L57-V62 CarbonylContact C-O 3.55Å; L57-V62 HydrophobicContact CB-CB 4.14Å; L57-V62 HydrophobicContact CD2-CB 4.07Å; L57-V62 HydrophobicContact CD2-CG1 4.18Å; L57-V62 HydrophobicContact CD2-CG2 4.36Å; L57-V62 PolarHBondContact O-N 3.33Å; L57-V64 HydrophobicContact CB-CG2 3.89Å; L57-V64 HydrophobicContact CD1-CG2 3.86Å; L57-V95 HydrophobicContact CD1-CG1 4.19Å; L57-V106 HydrophobicContact CD2-CB 4.42Å; L57-V106 HydrophobicContact CD2-CG2 3.79Å; L57-V109 HydrophobicContact CD2-CB 4.16Å; L57-V109 HydrophobicContact CD2-CG1 4Å; L57-V109 HydrophobicContact CD2-CG2 4.28Å; L57-V109 HydrophobicContact CG-CG1 4.04Å; L57-F167 HydrophobicContact CD1-CD1 4.12Å; L57-F167 HydrophobicContact CD1-CE1 3.86Å |
| 58 | E | 95.1 | Very high | 95.7 | Very high | 87 Ų | 87 | 50.8 Ų | 50.8 | 41% | 0.407 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.5 | -43.5 | 179.9 | -68.9 | 172.6 | -175.6 | 0 | 0 | 111.5 | R54 A55 R60 G61 V64 | R54-E58 HydrophobicContact CG-CG 4.48Å; R54-E58 VanDerWaalsContact CG-OE1 3.31Å; R54-E58 WeakPolarHBondContact CG-OE1 3.34Å; R54-E58 IonicContact CZ-OE1 3.96Å; R54-E58 IonicContact NE-OE1 2.69Å; R54-E58 PolarHBondContact NE-OE1 3.39Å; R54-E58 IonicContact NH2-OE1 3.76Å; R54-E58 WeakPolarHBondContact O-CG 3.31Å; R54-E58 PolarHBondContact O-N 2.83Å; A55-E58 PolarHBondContact O-N 2.96Å; E58-R60 PolarHBondContact O-N 3.22Å; E58-G61 PolarHBondContact O-N 3.16Å; E58-V64 HydrophobicContact CG-CB 4.5Å; E58-V64 HydrophobicContact CG-CG2 4.21Å |
| 59 | E | 96.1 | Very high | 95.8 | Very high | 129 Ų | 129 | 47.2 Ų | 47.2 | 60% | 0.603 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -52.7 | -35.9 | 171.1 | -81.4 | 175.4 | -173.4 | 0 | 0 | 112.9 | A55 R56 | A55-E59 WeakPolarHBondContact O-CB 3.39Å; A55-E59 VanDerWaalsContact O-CG 3.29Å; A55-E59 WeakPolarHBondContact O-CG 3.24Å; A55-E59 PolarHBondContact O-N 2.91Å; R56-E59 VanDerWaalsContact CD-OE2 3.23Å; R56-E59 WeakPolarHBondContact CD-OE2 3.49Å; R56-E59 IonicContact CZ-OE2 3.66Å; R56-E59 IonicContact NE-OE2 3.61Å; R56-E59 IonicContact NH1-OE1 2.68Å; R56-E59 IonicContact NH1-OE2 2.81Å; R56-E59 PolarHBondContact NH1-OE2 3.46Å |
| 60 | R | 94.6 | Very high | 95.8 | Very high | 138 Ų | 138 | 48 Ų | 48 | 52% | 0.521 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 3.9 | -178.7 | -61.9 | -78.6 | -152.6 | 174.5 | 7.2 | 113.1 | R56 L57 E58 L105 V109 D112 | R56-R60 WeakPolarHBondContact O-CB 3.26Å; R56-R60 WeakPolarHBondContact O-CG 3.41Å; R56-R60 PolarHBondContact O-N 2.91Å; L57-R60 CarbonylContact O-C 3.33Å; L57-R60 PolarHBondContact O-N 3.39Å; E58-R60 PolarHBondContact O-N 3.22Å; R60-L105 HydrophobicContact CB-CD1 3.93Å; R60-L105 HydrophobicContact CB-CD2 3.96Å; R60-L105 HydrophobicContact CB-CG 4.14Å; R60-L105 HydrophobicContact CG-CD1 4.14Å; R60-V109 HydrophobicContact CB-CG2 4.46Å; R60-V109 HydrophobicContact CG-CG2 3.86Å; R60-D112 IonicContact CZ-OD2 3.99Å; R60-D112 IonicContact NH2-OD2 3.91Å; R60-D112 PolarHBondContact NH2-OD2 2.96Å |
| 61 | G | 92.1 | Very high | 95.4 | Very high | 68 Ų | 68 | 48.3 Ų | 48.3 | 70% | 0.701 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85.8 | 11.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | L57 E58 | L57-G61 PolarHBondContact O-N 2.96Å; E58-G61 PolarHBondContact O-N 3.16Å |
| 62 | V | 93.6 | Very high | 95.1 | Very high | 8 Ų | 8 | 48.3 Ų | 48.3 | 5% | 0.048 | 25% | 0.253 | C | S | . | . | trans | -91.9 | 102.6 | 170.9 | -177.3 | 0 | 0 | 0 | 0 | 108.8 | L57 V64 V95 L105 V106 | L57-V62 CarbonylContact C-O 3.55Å; L57-V62 HydrophobicContact CB-CB 4.14Å; L57-V62 HydrophobicContact CD2-CB 4.07Å; L57-V62 HydrophobicContact CD2-CG1 4.18Å; L57-V62 HydrophobicContact CD2-CG2 4.36Å; L57-V62 PolarHBondContact O-N 3.33Å; V62-V64 PolarHBondContact O-N 2.94Å; V62-V95 HydrophobicContact CG1-CB 4.06Å; V62-V95 HydrophobicContact CG1-CG1 4.1Å; V62-L105 HydrophobicContact CG2-CD2 3.58Å; V62-L105 HydrophobicContact CG2-CG 4.1Å; V62-V106 HydrophobicContact CG1-CG2 4.48Å | ||
| 63 | S | 92.6 | Very high | 94.9 | Very high | 75 Ų | 75 | 46.1 Ų | 46.1 | 52% | 0.524 | 24% | 0.24 | S | C | . | . | trans | -64 | 126.7 | 176.5 | 177 | 0 | 0 | 0 | 0 | 111.4 | V95 | S63-V95 WeakPolarHBondContact O-CA 3.49Š| ||
| 64 | V | 96.7 | Very high | 94.8 | Very high | 7 Ų | 7 | 46.1 Ų | 46.1 | 4% | 0.042 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 110.7 | 171.6 | -174 | 0 | 0 | 0 | 0 | 108.3 | R54 L57 E58 V62 V67 F93 G94 V95 | R54-V64 HydrophobicContact CG-CB 4.14Å; R54-V64 HydrophobicContact CG-CG1 4.28Å; R54-V64 HydrophobicContact CG-CG2 4.11Å; R54-V64 PolarHBondContact NH2-O 2.91Å; L57-V64 HydrophobicContact CB-CG2 3.89Å; L57-V64 HydrophobicContact CD1-CG2 3.86Å; E58-V64 HydrophobicContact CG-CB 4.5Å; E58-V64 HydrophobicContact CG-CG2 4.21Å; V62-V64 PolarHBondContact O-N 2.94Å; V64-V67 HydrophobicContact CG1-CG2 3.85Å; V64-F93 HydrophobicContact CG1-CD1 4.4Å; V64-G94 CarbonylContact C-O 3.54Å; V64-G94 WeakPolarHBondContact CA-O 3.31Å; V64-V95 HydrophobicContact CG2-CG1 4Å |
| 65 | R | 96.2 | Very high | 94.6 | Very high | 123 Ų | 123 | 43.8 Ų | 43.8 | 46% | 0.464 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | -47.3 | -179.4 | -62.6 | -179 | -65.5 | -106 | -6.6 | 111.2 | G94 V95 V168 D169 | R65-G94 PolarHBondContact N-O 3.45Å; R65-V95 PolarHBondContact NH1-O 3.48Å; R65-V95 VanDerWaalsContact NH1-O 3.16Å; R65-V95 PolarHBondContact NH2-O 2.83Å; R65-V168 PolarHBondContact NH2-O 2.81Å; R65-D169 IonicContact CZ-OD1 3.73Å; R65-D169 IonicContact NH1-OD1 2.86Å; R65-D169 PolarHBondContact NH1-OD1 3.36Å; R65-D169 IonicContact NH2-OD1 3.53Å |
| 66 | D | 96.7 | Very high | 94.4 | Very high | 35 Ų | 35 | 43.6 Ų | 43.6 | 19% | 0.187 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 160.8 | -178.6 | 55.8 | -2.2 | 0 | 0 | 0 | 111.5 | R68 G94 D187 | D66-R68 IonicContact OD2-CZ 3.88Å; D66-R68 IonicContact OD2-NE 3.91Å; D66-R68 PolarHBondContact OD2-NE 2.94Å; D66-R68 IonicContact OD2-NH2 2.93Å; D66-R68 PolarHBondContact OD2-NH2 2.81Å; D66-G94 PolarHBondContact O-N 2.82Å; D66-G94 WeakPolarHBondContact OD1-CA 3.29Å; D66-D187 VanDerWaalsContact CA-OD2 3.3Å; D66-D187 WeakPolarHBondContact CA-OD2 3.36Å; D66-D187 WeakPolarHBondContact CB-OD2 3.38Å |
| 67 | V | 98.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 135.6 | 167.1 | -165.8 | 0 | 0 | 0 | 0 | 110.4 | V50 V64 I92 F93 L186 D187 | V50-V67 HydrophobicContact CG1-CB 4.08Å; V50-V67 HydrophobicContact CG1-CG1 3.71Å; V50-V67 HydrophobicContact CG1-CG2 4.01Å; V50-V67 HydrophobicContact CG2-CG1 4.14Å; V64-V67 HydrophobicContact CG1-CG2 3.85Å; V67-I92 CarbonylContact C-O 3.5Å; V67-I92 WeakPolarHBondContact CA-O 3.23Å; V67-I92 WeakPolarHBondContact CG1-O 3.32Å; V67-F93 HydrophobicContact CG1-CD1 4.04Å; V67-F93 HydrophobicContact CG1-CE1 4.05Å; V67-F93 HydrophobicContact CG1-CG 4.29Å; V67-F93 HydrophobicContact CG1-CZ 4.3Å; V67-F93 HydrophobicContact CG2-CD1 3.74Å; V67-F93 HydrophobicContact CG2-CE1 4.08Å; V67-F93 HydrophobicContact CG2-CG 4.49Å; V67-L186 HydrophobicContact CG1-CD1 4.29Å; V67-L186 PolarHBondContact O-N 3.16Å; V67-D187 PolarHBondContact N-OD1 2.68Å; V67-D187 PolarHBondContact N-OD2 3.02Å |
| 68 | R | 98.1 | Very high | 94.2 | Very high | 48 Ų | 48 | 40.1 Ų | 40.1 | 18% | 0.181 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 141.2 | -172.5 | -56.3 | 171.6 | 176 | -120.8 | -7.5 | 112.1 | D66 I92 Q183 I184 E211 | D66-R68 IonicContact OD2-CZ 3.88Å; D66-R68 IonicContact OD2-NE 3.91Å; D66-R68 PolarHBondContact OD2-NE 2.94Å; D66-R68 IonicContact OD2-NH2 2.93Å; D66-R68 PolarHBondContact OD2-NH2 2.81Å; R68-I92 HydrophobicContact CB-CB 4.33Å; R68-I92 PolarHBondContact N-O 2.72Å; R68-I92 PolarHBondContact O-N 3.43Å; R68-Q183 HydrophobicContact CB-CB 4.44Å; R68-I184 CarbonylContact C-O 3.6Å; R68-I184 VanDerWaalsContact CA-O 3.24Å; R68-I184 WeakPolarHBondContact CA-O 3.43Å; R68-E211 IonicContact CZ-OE2 2.85Å; R68-E211 IonicContact NH1-OE2 2.72Å; R68-E211 PolarHBondContact NH1-OE2 3.49Å; R68-E211 IonicContact NH2-OE2 3.54Å |
| 69 | L | 97.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 134.3 | 162.6 | -179.3 | 67.9 | 0 | 0 | 0 | 109.1 | L23 A73 V77 L89 L91 Q183 I184 L186 | L23-L69 HydrophobicContact CD1-CD2 3.59Å; L69-A73 HydrophobicContact CD1-CB 3.85Å; L69-A73 HydrophobicContact CD2-CB 4.13Å; L69-A73 HydrophobicContact CG-CB 4.17Å; L69-V77 HydrophobicContact CD2-CG2 4.07Å; L69-L89 HydrophobicContact CD1-CD1 3.6Å; L69-L89 HydrophobicContact CD1-CG 4.05Å; L69-L91 HydrophobicContact CD1-CD2 4.22Å; L69-Q183 CarbonylContact O-C 3.54Å; L69-Q183 VanDerWaalsContact O-CA 3.29Å; L69-Q183 WeakPolarHBondContact O-CA 3.44Å; L69-I184 PolarHBondContact N-O 2.72Å; L69-I184 PolarHBondContact O-N 3.32Å; L69-L186 HydrophobicContact CB-CD1 4.46Å; L69-L186 HydrophobicContact CB-CD2 4.08Å; L69-L186 HydrophobicContact CB-CG 4.5Å |
| 70 | N | 94.7 | Very high | 93 | Very high | 20 Ų | 20 | 39.3 Ų | 39.3 | 11% | 0.107 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 177.5 | -177.4 | -174.7 | 52.1 | 0 | 0 | 0 | 111.9 | D90 I92 F182 Q183 | N70-D90 HydrophobicContact CB-CB 3.93Å; N70-D90 PolarHBondContact N-O 2.85Å; N70-I92 HydrophobicContact CB-CD1 3.66Å; N70-I92 HydrophobicContact CB-CG1 4Å; N70-F182 PolarHBondContact OD1-O 2.87Å; N70-Q183 HydrophobicContact CB-CG 4.38Å; N70-Q183 VanDerWaalsContact OD1-CG 3.31Å; N70-Q183 WeakPolarHBondContact OD1-CG 3.34Å |
| 71 | G | 87.6 | Confident | 91.6 | Very high | 8 Ų | 8 | 37.9 Ų | 37.9 | 8% | 0.082 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | 69.6 | -152.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | A73 A74 S75 | G71-A73 PolarHBondContact O-N 3.01Å; G71-A73 VanDerWaalsContact O-N 3.15Å; G71-A74 PolarHBondContact O-N 3.15Å; G71-S75 PolarHBondContact O-N 3.47Å; G71-S75 PolarHBondContact O-OG 2.86Å |
| 72 | S | 88 | Confident | 90.2 | Very high | 41 Ų | 41 | 34.9 Ų | 34.9 | 29% | 0.287 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -59.9 | -29.1 | -174.5 | 64 | 0 | 0 | 0 | 0 | 113.6 | S75 H76 Y86 K87 | S72-S75 PolarHBondContact O-N 2.98Å; S72-H76 WeakPolarHBondContact O-CB 3.49Å; S72-H76 PolarHBondContact O-N 3.08Å; S72-Y86 WeakPolarHBondContact OG-CA 3.38Å; S72-K87 PolarHBondContact OG-N 3.19Å |
| 73 | A | 91.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.5 | -40.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L69 G71 H76 V77 Y86 L89 | L69-A73 HydrophobicContact CD1-CB 3.85Å; L69-A73 HydrophobicContact CD2-CB 4.13Å; L69-A73 HydrophobicContact CG-CB 4.17Å; G71-A73 PolarHBondContact O-N 3.01Å; G71-A73 VanDerWaalsContact O-N 3.15Å; A73-H76 PolarHBondContact O-N 3.3Å; A73-V77 WeakPolarHBondContact O-CG2 3.43Å; A73-V77 PolarHBondContact O-N 3.22Å; A73-Y86 HydrophobicContact CB-CD2 4.08Å; A73-Y86 HydrophobicContact CB-CG 4.2Å; A73-L89 HydrophobicContact CB-CD1 3.92Å |
| 74 | A | 94.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.2 | -44.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | G71 H76 V77 L78 F182 I184 | G71-A74 PolarHBondContact O-N 3.15Å; A74-H76 VanDerWaalsContact C-N 3.3Å; A74-H76 PolarHBondContact O-N 2.93Å; A74-V77 WeakPolarHBondContact O-CB 3.27Å; A74-V77 PolarHBondContact O-N 2.92Å; A74-L78 WeakPolarHBondContact O-CG 3.24Å; A74-L78 PolarHBondContact O-N 3.45Å; A74-L78 VanDerWaalsContact O-N 3.16Å; A74-F182 HydrophobicContact CB-CB 3.93Å; A74-F182 WeakPolarHBondContact CB-O 3.3Å; A74-I184 HydrophobicContact CB-CD1 3.91Å; A74-I184 HydrophobicContact CB-CG1 4.08Å |
| 75 | S | 93.2 | Very high | 86.1 | Confident | 9 Ų | 9 | 37.7 Ų | 37.7 | 6% | 0.063 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.3 | -40.5 | 175 | -49.2 | 0 | 0 | 0 | 0 | 112 | G71 S72 L78 Y79 V179 | G71-S75 PolarHBondContact O-N 3.47Å; G71-S75 PolarHBondContact O-OG 2.86Å; S72-S75 PolarHBondContact O-N 2.98Å; S75-L78 PolarHBondContact O-N 2.84Å; S75-Y79 PolarHBondContact O-N 2.96Å; S75-V179 PolarHBondContact OG-O 3.16Å |
| 76 | H | 92.1 | Very high | 85.3 | Confident | 38 Ų | 38 | 33.1 Ų | 33.1 | 18% | 0.176 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68.7 | -34.4 | 178 | -175.6 | 64 | 0 | 0 | 0 | 113.9 | S72 A73 A74 L78 Y79 Y86 | S72-H76 WeakPolarHBondContact O-CB 3.49Å; S72-H76 PolarHBondContact O-N 3.08Å; A73-H76 PolarHBondContact O-N 3.3Å; A74-H76 VanDerWaalsContact C-N 3.3Å; A74-H76 PolarHBondContact O-N 2.93Å; H76-L78 VanDerWaalsContact C-N 3.31Å; H76-Y79 CarbonylContact O-C 3.6Å; H76-Y86 HydrophobicContact CB-CD1 4.33Å; H76-Y86 AromaticContact CD2-CD1 3.51Å |
| 77 | V | 94.6 | Very high | 84.2 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.6 | -45.7 | 170.1 | 167.5 | 0 | 0 | 0 | 0 | 110.5 | L15 Q19 R22 L23 I26 L69 A73 A74 I184 | L15-V77 HydrophobicContact CD2-CG1 4.02Å; Q19-V77 HydrophobicContact CB-CG1 4.32Å; Q19-V77 WeakPolarHBondContact O-CG1 3.42Å; R22-V77 VanDerWaalsContact CZ-O 3.3Å; R22-V77 PolarHBondContact NE-O 2.87Å; R22-V77 PolarHBondContact NH2-O 3.13Å; L23-V77 HydrophobicContact CB-CG1 3.9Å; L23-V77 HydrophobicContact CB-CG2 4.16Å; L23-V77 HydrophobicContact CD1-CG2 3.99Å; I26-V77 HydrophobicContact CD1-CG2 3.64Å; L69-V77 HydrophobicContact CD2-CG2 4.07Å; A73-V77 WeakPolarHBondContact O-CG2 3.43Å; A73-V77 PolarHBondContact O-N 3.22Å; A74-V77 WeakPolarHBondContact O-CB 3.27Å; A74-V77 PolarHBondContact O-N 2.92Å; V77-I184 HydrophobicContact CB-CD1 3.7Å; V77-I184 HydrophobicContact CG1-CD1 3.62Å; V77-I184 HydrophobicContact CG2-CD1 4.28Å |
| 78 | L | 94 | Very high | 83.5 | Confident | 8 Ų | 8 | 34.4 Ų | 34.4 | 4% | 0.042 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -73.1 | -41.7 | -174.3 | -64.4 | 168.8 | 0 | 0 | 0 | 112 | L15 Q19 R22 A74 S75 H76 F182 I184 F217 I221 | L15-L78 HydrophobicContact CD1-CD2 4.14Å; L15-L78 HydrophobicContact CD2-CD2 4.39Å; L15-L78 HydrophobicContact CG-CD2 4.02Å; Q19-L78 PolarHBondContact NE2-O 2.82Å; Q19-L78 VanDerWaalsContact NE2-O 3.16Å; R22-L78 PolarHBondContact NH2-O 3.13Å; A74-L78 WeakPolarHBondContact O-CG 3.24Å; A74-L78 PolarHBondContact O-N 3.45Å; A74-L78 VanDerWaalsContact O-N 3.16Å; S75-L78 PolarHBondContact O-N 2.84Å; H76-L78 VanDerWaalsContact C-N 3.31Å; L78-F182 HydrophobicContact CD1-CB 3.64Å; L78-F182 HydrophobicContact CD1-CD1 3.38Å; L78-F182 HydrophobicContact CD1-CD2 4.08Å; L78-F182 HydrophobicContact CD1-CE1 3.98Å; L78-F182 HydrophobicContact CD1-CG 3.42Å; L78-F182 VanDerWaalsContact CD1-CG 3.42Å; L78-I184 HydrophobicContact CD1-CD1 4.43Å; L78-I184 HydrophobicContact CD2-CD1 4.37Å; L78-I184 HydrophobicContact CG-CD1 4.13Å; L78-F217 HydrophobicContact CD1-CE2 4.4Å; L78-F217 HydrophobicContact CD1-CZ 3.81Å; L78-F217 HydrophobicContact CD2-CE1 4.5Å; L78-F217 HydrophobicContact CD2-CZ 3.86Å; L78-F217 HydrophobicContact CG-CZ 4.49Å; L78-I221 HydrophobicContact CB-CD1 3.81Å; L78-I221 HydrophobicContact CD1-CD1 4.06Å; L78-I221 HydrophobicContact CG-CD1 4.37Å |
| 79 | Y | 89.6 | Confident | 83.2 | Confident | 73 Ų | 73 | 32.3 Ų | 32.3 | 29% | 0.286 | 19% | 0.186 | S | C | . | . | trans | -139.9 | 120.4 | 178.9 | -169.3 | -107.3 | 0 | 0 | 0 | 112.2 | S75 H76 D81 T82 C225 | S75-Y79 PolarHBondContact O-N 2.96Å; H76-Y79 CarbonylContact O-C 3.6Å; Y79-D81 HydrophobicContact CE1-CB 3.88Å; Y79-T82 HydrophobicContact CD1-CG2 3.89Å; Y79-C225 VanDerWaalsContact CD2-SG 3.55Å; Y79-C225 HydrophobicContact CE2-CB 4.42Å | ||
| 80 | Q | 76.6 | Confident | 83.1 | Confident | 126 Ų | 126 | 33.9 Ų | 33.9 | 59% | 0.589 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -80.4 | -27.9 | -171.6 | -171.7 | 172 | -11.7 | 0 | 0 | 113.7 | T82 | Q80-T82 PolarHBondContact O-N 3.17Š|
| 81 | D | 66 | Low | 83.2 | Confident | 108 Ų | 108 | 33 Ų | 33 | 58% | 0.578 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | 33.5 | -169.8 | -164.7 | 24.8 | 0 | 0 | 0 | 114.1 | Y79 G83 R227 | Y79-D81 HydrophobicContact CE1-CB 3.88Å; D81-G83 PolarHBondContact O-N 2.87Å; D81-R227 PolarHBondContact O-NH2 2.94Å |
| 82 | T | 61.5 | Low | 83.7 | Confident | 5 Ų | 5 | 33.1 Ų | 33.1 | 3% | 0.031 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -24.4 | 172.8 | 58.4 | 0 | 0 | 0 | 0 | 112.2 | Y79 Q80 M84 L224 R227 | Y79-T82 HydrophobicContact CD1-CG2 3.89Å; Q80-T82 PolarHBondContact O-N 3.17Å; T82-M84 PolarHBondContact O-N 2.77Å; T82-M84 PolarHBondContact OG1-N 2.95Å; T82-L224 HydrophobicContact CG2-CD1 3.81Å; T82-L224 HydrophobicContact CG2-CG 4.16Å; T82-R227 PolarHBondContact O-NH2 3.29Å |
| 83 | G | 62.8 | Low | 84.2 | Confident | 61 Ų | 61 | 31.1 Ų | 31.1 | 63% | 0.629 | 18% | 0.175 | S | C | * | . | S | Bend | trans | 68.5 | -0.2 | -167.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | D81 | D81-G83 PolarHBondContact O-N 2.87Š|
| 84 | M | 62.1 | Low | 84.5 | Confident | 53 Ų | 53 | 31.3 Ų | 31.3 | 26% | 0.261 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -91.2 | -17 | -176.8 | -56.2 | 172.7 | 73 | 0 | 0 | 113 | T82 L248 Q251 F253 | T82-M84 PolarHBondContact O-N 2.77Å; T82-M84 PolarHBondContact OG1-N 2.95Å; M84-L248 HydrophobicContact CE-CD2 3.82Å; M84-Q251 VanDerWaalsContact CE-OE1 3.23Å; M84-F253 HydrophobicContact CE-CE2 4.49Å; M84-F253 HydrophobicContact CG-CE2 4.22Å; M84-F253 HydrophobicContact SD-CE2 3.57Å; M84-F253 VanDerWaalsContact SD-CE2 3.57Å; M84-F253 HydrophobicContact SD-CZ 3.49Å; M84-F253 WeakPolarHBondContact SD-CZ 3.41Å |
| 85 | G | 72.6 | Confident | 84.6 | Confident | 35 Ų | 35 | 31.3 Ų | 31.3 | 36% | 0.361 | 18% | 0.177 | S | C | . | . | trans | 58.7 | -150.5 | -165 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 86 | Y | 78.2 | Confident | 84.6 | Confident | 27 Ų | 27 | 32.6 Ų | 32.6 | 11% | 0.106 | 19% | 0.186 | C | C | . | . | trans | -133.3 | 144.8 | 161.5 | 67.5 | -86 | 0 | 0 | 0 | 108.8 | I26 E29 S72 A73 H76 K161 | I26-Y86 HydrophobicContact CD1-CE1 4.32Å; I26-Y86 HydrophobicContact CG1-CE1 4.42Å; E29-Y86 PolarHBondContact OE2-OH 3.46Å; S72-Y86 WeakPolarHBondContact OG-CA 3.38Å; A73-Y86 HydrophobicContact CB-CD2 4.08Å; A73-Y86 HydrophobicContact CB-CG 4.2Å; H76-Y86 HydrophobicContact CB-CD1 4.33Å; H76-Y86 AromaticContact CD2-CD1 3.51Å; Y86-K161 HydrophobicContact CE2-CD 4.18Å; Y86-K161 PolarHBondContact OH-NZ 3.01Å | ||
| 87 | K | 75.4 | Confident | 84.6 | Confident | 44 Ų | 44 | 30.8 Ų | 30.8 | 19% | 0.191 | 18% | 0.177 | C | C | . | . | trans | -95.7 | -92.4 | -178 | -175.3 | -155.3 | 158 | -149 | 0 | 109.8 | S72 K161 N292 | S72-K87 PolarHBondContact OG-N 3.19Å; K87-K161 VanDerWaalsContact O-CA 3.3Å; K87-K161 WeakPolarHBondContact O-CA 3.46Å; K87-K161 WeakPolarHBondContact O-CB 3.3Å; K87-K161 WeakPolarHBondContact O-CG 3.39Å; K87-N292 WeakPolarHBondContact CD-O 3.32Å; K87-N292 WeakPolarHBondContact CE-O 3.14Å | ||
| 88 | D | 83.6 | Confident | 84.2 | Confident | 19 Ų | 19 | 38.5 Ų | 38.5 | 10% | 0.102 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -80.4 | 154.8 | 178.4 | -52.1 | -59.9 | 0 | 0 | 0 | 110.6 | N162 E164 | D88-N162 CarbonylContact C-O 3.51Å; D88-N162 WeakPolarHBondContact CA-O 3.39Å; D88-N162 WeakPolarHBondContact OD1-CB 3.2Å; D88-N162 PolarHBondContact OD1-N 2.82Å; D88-N162 PolarHBondContact OD1-ND2 3.09Å; D88-E164 HydrophobicContact CB-CG 4.36Å |
| 89 | L | 91.4 | Very high | 84 | Confident | 3 Ų | 3 | 41.9 Ų | 41.9 | 2% | 0.016 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 94.6 | 172.7 | -166.6 | 81.9 | 0 | 0 | 0 | 109.4 | I26 I31 P46 L69 A73 L91 N162 E164 | I26-L89 HydrophobicContact CG2-CD1 3.63Å; I31-L89 HydrophobicContact CD1-CD2 4Å; P46-L89 HydrophobicContact CB-CD2 3.43Å; P46-L89 VanDerWaalsContact CB-CD2 3.43Å; P46-L89 HydrophobicContact CG-CD2 3.2Å; L69-L89 HydrophobicContact CD1-CD1 3.6Å; L69-L89 HydrophobicContact CD1-CG 4.05Å; A73-L89 HydrophobicContact CB-CD1 3.92Å; L89-L91 HydrophobicContact CD2-CD1 4.34Å; L89-L91 HydrophobicContact CD2-CG 4.42Å; L89-L91 PolarHBondContact O-N 2.89Å; L89-N162 PolarHBondContact N-O 2.89Å; L89-E164 PolarHBondContact O-N 3.03Å |
| 90 | D | 94.5 | Very high | 84.1 | Confident | 34 Ų | 34 | 42.4 Ų | 42.4 | 18% | 0.182 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 108.4 | -177.4 | -60.6 | -52.7 | 0 | 0 | 0 | 110.9 | N70 | N70-D90 HydrophobicContact CB-CB 3.93Å; N70-D90 PolarHBondContact N-O 2.85Å |
| 91 | L | 97.4 | Very high | 84.8 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 110.6 | 177.6 | -66 | 171.9 | 0 | 0 | 0 | 110 | P46 V50 L69 L89 F93 V163 E164 L165 K166 L186 | P46-L91 HydrophobicContact CB-CD1 4.45Å; V50-L91 HydrophobicContact CG2-CD1 3.8Å; V50-L91 HydrophobicContact CG2-CD2 4.09Å; V50-L91 HydrophobicContact CG2-CG 4.45Å; L69-L91 HydrophobicContact CD1-CD2 4.22Å; L89-L91 HydrophobicContact CD2-CD1 4.34Å; L89-L91 HydrophobicContact CD2-CG 4.42Å; L89-L91 PolarHBondContact O-N 2.89Å; L91-F93 HydrophobicContact CB-CE2 4.09Å; L91-V163 HydrophobicContact CD1-CG1 4.21Å; L91-E164 PolarHBondContact N-O 3.41Å; L91-L165 HydrophobicContact CB-CD2 4.18Å; L91-L165 HydrophobicContact CD1-CD2 3.82Å; L91-K166 PolarHBondContact O-N 2.76Å; L91-L186 HydrophobicContact CD2-CD1 3.93Å |
| 92 | I | 98.2 | Very high | 86.1 | Confident | 11 Ų | 11 | 37.9 Ų | 37.9 | 6% | 0.056 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 122.9 | 177.1 | -60.5 | -179.3 | 0 | 0 | 0 | 109.6 | V67 R68 N70 K166 V168 | V67-I92 CarbonylContact C-O 3.5Å; V67-I92 WeakPolarHBondContact CA-O 3.23Å; V67-I92 WeakPolarHBondContact CG1-O 3.32Å; R68-I92 HydrophobicContact CB-CB 4.33Å; R68-I92 PolarHBondContact N-O 2.72Å; R68-I92 PolarHBondContact O-N 3.43Å; N70-I92 HydrophobicContact CB-CD1 3.66Å; N70-I92 HydrophobicContact CB-CG1 4Å; I92-K166 CarbonylContact C-O 3.58Å; I92-K166 VanDerWaalsContact CA-O 3.31Å; I92-K166 WeakPolarHBondContact CA-O 3.39Å; I92-K166 HydrophobicContact CG1-CB 4.38Å; I92-K166 HydrophobicContact CG1-CD 4.36Å; I92-V168 HydrophobicContact CG2-CB 4.23Å; I92-V168 HydrophobicContact CG2-CG2 3.89Å |
| 93 | F | 98.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 115 | 168.7 | -62.5 | -105 | 0 | 0 | 0 | 108.2 | V50 V53 V64 V67 L91 V95 L165 K166 F167 V168 | V50-F93 HydrophobicContact CB-CZ 4.4Å; V50-F93 HydrophobicContact CG1-CE1 4.19Å; V50-F93 HydrophobicContact CG1-CZ 4.46Å; V50-F93 HydrophobicContact CG2-CZ 4.02Å; V53-F93 HydrophobicContact CB-CE1 4.18Å; V53-F93 HydrophobicContact CB-CZ 4.19Å; V53-F93 HydrophobicContact CG1-CD1 4.47Å; V53-F93 HydrophobicContact CG1-CE1 3.88Å; V53-F93 HydrophobicContact CG1-CZ 3.97Å; V64-F93 HydrophobicContact CG1-CD1 4.4Å; V67-F93 HydrophobicContact CG1-CD1 4.04Å; V67-F93 HydrophobicContact CG1-CE1 4.05Å; V67-F93 HydrophobicContact CG1-CG 4.29Å; V67-F93 HydrophobicContact CG1-CZ 4.3Å; V67-F93 HydrophobicContact CG2-CD1 3.74Å; V67-F93 HydrophobicContact CG2-CE1 4.08Å; V67-F93 HydrophobicContact CG2-CG 4.49Å; L91-F93 HydrophobicContact CB-CE2 4.09Å; F93-V95 HydrophobicContact CB-CG1 4.17Å; F93-V95 PolarHBondContact O-N 3.04Å; F93-L165 HydrophobicContact CE2-CB 4.44Å; F93-L165 HydrophobicContact CE2-CD2 4.06Å; F93-K166 PolarHBondContact N-O 2.66Å; F93-F167 HydrophobicContact CB-CD1 3.74Å; F93-F167 HydrophobicContact CB-CE1 4.09Å; F93-F167 HydrophobicContact CD1-CE1 4.32Å; F93-F167 HydrophobicContact CD2-CD1 4.07Å; F93-F167 AromaticContact CD2-CE1 3.7Å; F93-F167 HydrophobicContact CD2-CE1 3.7Å; F93-F167 HydrophobicContact CD2-CZ 4.22Å; F93-F167 HydrophobicContact CE2-CE1 4.18Å; F93-F167 HydrophobicContact CE2-CZ 4.39Å; F93-F167 AromaticContact CG-CD1 3.98Å; F93-F167 HydrophobicContact CG-CD1 3.98Å; F93-F167 AromaticContact CG-CE1 3.79Å; F93-F167 HydrophobicContact CG-CE1 3.79Å; F93-V168 PolarHBondContact O-N 2.83Å |
| 94 | G | 97.8 | Very high | 89.3 | Confident | 4 Ų | 4 | 42 Ų | 42 | 4% | 0.041 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 104.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | V64 R65 D66 V168 | V64-G94 CarbonylContact C-O 3.54Å; V64-G94 WeakPolarHBondContact CA-O 3.31Å; R65-G94 PolarHBondContact N-O 3.45Å; D66-G94 PolarHBondContact O-N 2.82Å; D66-G94 WeakPolarHBondContact OD1-CA 3.29Å; G94-V168 CarbonylContact C-O 3.53Å; G94-V168 WeakPolarHBondContact CA-O 3.24Å |
| 95 | V | 97.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 158.7 | -174.4 | -71.1 | 0 | 0 | 0 | 0 | 112 | L57 V62 S63 V64 R65 F93 L97 F167 V168 D169 | L57-V95 HydrophobicContact CD1-CG1 4.19Å; V62-V95 HydrophobicContact CG1-CB 4.06Å; V62-V95 HydrophobicContact CG1-CG1 4.1Å; S63-V95 WeakPolarHBondContact O-CA 3.49Å; V64-V95 HydrophobicContact CG2-CG1 4Å; R65-V95 PolarHBondContact NH1-O 3.48Å; R65-V95 VanDerWaalsContact NH1-O 3.16Å; R65-V95 PolarHBondContact NH2-O 2.83Å; F93-V95 HydrophobicContact CB-CG1 4.17Å; F93-V95 PolarHBondContact O-N 3.04Å; V95-L97 HydrophobicContact CG2-CD1 4.1Å; V95-L97 HydrophobicContact CG2-CD2 4.03Å; V95-L97 HydrophobicContact CG2-CG 3.84Å; V95-F167 HydrophobicContact CG2-CB 3.77Å; V95-V168 PolarHBondContact N-O 3.48Å; V95-D169 WeakPolarHBondContact O-CA 3.43Å; V95-D169 WeakPolarHBondContact O-CB 3.45Å; V95-D169 VanDerWaalsContact O-CG 3.26Å |
| 96 | S | 92.6 | Very high | 92 | Very high | 36 Ų | 36 | 39.7 Ų | 39.7 | 25% | 0.252 | 19% | 0.19 | S | C | . | . | trans | -89.8 | 116.3 | 171 | -166 | 0 | 0 | 0 | 0 | 111.2 | K98 | S96-K98 VanDerWaalsContact OG-CE 3.3Å; S96-K98 WeakPolarHBondContact OG-CE 3.5Å; S96-K98 WeakPolarHBondContact OG-CG 3.4Å | ||
| 97 | L | 92.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -114.4 | 58.9 | -176.4 | -64.1 | 172.8 | 0 | 0 | 0 | 110.2 | V95 D99 A102 F103 V106 R149 D169 | V95-L97 HydrophobicContact CG2-CD1 4.1Å; V95-L97 HydrophobicContact CG2-CD2 4.03Å; V95-L97 HydrophobicContact CG2-CG 3.84Å; L97-D99 VanDerWaalsContact C-N 3.26Å; L97-D99 PolarHBondContact O-N 2.9Å; L97-A102 HydrophobicContact CD2-CB 4.13Å; L97-F103 HydrophobicContact CB-CE2 4.11Å; L97-F103 HydrophobicContact CB-CZ 4.11Å; L97-F103 HydrophobicContact CD1-CD1 4.4Å; L97-F103 HydrophobicContact CD1-CE1 3.82Å; L97-F103 HydrophobicContact CD1-CZ 4Å; L97-V106 HydrophobicContact CD2-CG2 3.97Å; L97-R149 PolarHBondContact O-NE 3.27Å; L97-R149 PolarHBondContact O-NH2 3.09Å; L97-D169 HydrophobicContact CB-CB 3.79Å; L97-D169 HydrophobicContact CD1-CB 4.17Å; L97-D169 HydrophobicContact CG-CB 4.04Å; L97-D169 VanDerWaalsContact N-CG 3.28Å; L97-D169 PolarHBondContact N-OD2 3.34Å | ||
| 98 | K | 86.4 | Confident | 93.9 | Very high | 161 Ų | 161 | 42 Ų | 42 | 70% | 0.7 | 20% | 0.204 | S | C | * | . | trans | -61.4 | -28.9 | -172.1 | -61.2 | -176.7 | -178.1 | 175.6 | 0 | 114.3 | S96 R149 | S96-K98 VanDerWaalsContact OG-CE 3.3Å; S96-K98 WeakPolarHBondContact OG-CE 3.5Å; S96-K98 WeakPolarHBondContact OG-CG 3.4Å; K98-R149 PolarHBondContact O-NH2 3.44Å | ||
| 99 | D | 88.5 | Confident | 94.5 | Very high | 79 Ų | 79 | 41.1 Ų | 41.1 | 42% | 0.422 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -153.9 | 178.1 | -174.3 | 58.9 | 40.9 | 0 | 0 | 0 | 112.8 | L97 Q101 A102 F103 | L97-D99 VanDerWaalsContact C-N 3.26Å; L97-D99 PolarHBondContact O-N 2.9Å; D99-Q101 PolarHBondContact O-N 3.34Å; D99-Q101 VanDerWaalsContact OD1-CA 3.31Å; D99-Q101 WeakPolarHBondContact OD1-CA 3.38Å; D99-Q101 VanDerWaalsContact OD1-CB 3.24Å; D99-Q101 WeakPolarHBondContact OD1-CB 3.21Å; D99-Q101 PolarHBondContact OD1-N 3.23Å; D99-A102 PolarHBondContact O-N 2.96Å; D99-A102 PolarHBondContact OD1-N 2.91Å; D99-F103 VanDerWaalsContact O-CD2 3.3Å; D99-F103 WeakPolarHBondContact O-CD2 3.45Å; D99-F103 PolarHBondContact O-N 2.68Å |
| 100 | D | 91.8 | Very high | 94.8 | Very high | 85 Ų | 85 | 41.1 Ų | 41.1 | 46% | 0.455 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -69.8 | -10.8 | 176.6 | -98.1 | 40.4 | 0 | 0 | 0 | 114.6 | R104 K142 | D100-R104 WeakPolarHBondContact O-CG 3.31Å; D100-R104 PolarHBondContact O-N 2.8Å; D100-R104 PolarHBondContact O-NE 3.39Å; D100-K142 IonicContact OD1-NZ 3.85Å; D100-K142 PolarHBondContact OD1-NZ 2.87Å; D100-K142 IonicContact OD2-NZ 3.22Å; D100-K142 PolarHBondContact OD2-NZ 2.93Å |
| 101 | Q | 92.9 | Very high | 94.9 | Very high | 126 Ų | 126 | 39.7 Ų | 39.7 | 59% | 0.589 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -78.3 | -42.6 | 170.1 | -179.8 | 173 | -20.8 | 0 | 0 | 110.3 | D99 F103 R104 L105 | D99-Q101 PolarHBondContact O-N 3.34Å; D99-Q101 VanDerWaalsContact OD1-CA 3.31Å; D99-Q101 WeakPolarHBondContact OD1-CA 3.38Å; D99-Q101 VanDerWaalsContact OD1-CB 3.24Å; D99-Q101 WeakPolarHBondContact OD1-CB 3.21Å; D99-Q101 PolarHBondContact OD1-N 3.23Å; Q101-F103 VanDerWaalsContact C-N 3.34Å; Q101-F103 PolarHBondContact O-N 2.82Å; Q101-R104 PolarHBondContact O-N 3Å; Q101-L105 VanDerWaalsContact O-CB 3.29Å; Q101-L105 WeakPolarHBondContact O-CB 3.24Å; Q101-L105 PolarHBondContact O-N 3.42Å |
| 102 | A | 93.2 | Very high | 94.8 | Very high | 12 Ų | 12 | 41.9 Ų | 41.9 | 10% | 0.099 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.4 | -43.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L97 D99 R104 L105 V106 | L97-A102 HydrophobicContact CD2-CB 4.13Å; D99-A102 PolarHBondContact O-N 2.96Å; D99-A102 PolarHBondContact OD1-N 2.91Å; A102-R104 PolarHBondContact O-N 2.93Å; A102-L105 PolarHBondContact O-N 2.83Å; A102-V106 WeakPolarHBondContact O-CG2 3.28Å; A102-V106 PolarHBondContact O-N 2.84Å |
| 103 | F | 95.1 | Very high | 94.7 | Very high | 10 Ų | 10 | 41.4 Ų | 41.4 | 4% | 0.044 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.8 | -42.1 | 174.8 | -79.3 | -78 | 0 | 0 | 0 | 113.5 | L97 D99 Q101 K107 K142 C144 | L97-F103 HydrophobicContact CB-CE2 4.11Å; L97-F103 HydrophobicContact CB-CZ 4.11Å; L97-F103 HydrophobicContact CD1-CD1 4.4Å; L97-F103 HydrophobicContact CD1-CE1 3.82Å; L97-F103 HydrophobicContact CD1-CZ 4Å; D99-F103 VanDerWaalsContact O-CD2 3.3Å; D99-F103 WeakPolarHBondContact O-CD2 3.45Å; D99-F103 PolarHBondContact O-N 2.68Å; Q101-F103 VanDerWaalsContact C-N 3.34Å; Q101-F103 PolarHBondContact O-N 2.82Å; F103-K107 PolarHBondContact O-N 3.11Å; F103-K142 HydrophobicContact CB-CD 4.45Å; F103-K142 HydrophobicContact CD1-CD 4.2Å; F103-K142 HydrophobicContact CD1-CG 3.74Å; F103-K142 HydrophobicContact CE1-CG 3.84Å; F103-K142 HydrophobicContact CG-CD 4.22Å; F103-K142 HydrophobicContact CG-CG 4.25Å; F103-K142 HydrophobicContact CZ-CG 4.46Å; F103-C144 HydrophobicContact CE2-CB 3.98Å; F103-C144 HydrophobicContact CZ-CB 3.95Å |
| 104 | R | 94.8 | Very high | 94.5 | Very high | 144 Ų | 144 | 41.6 Ų | 41.6 | 54% | 0.543 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -65.5 | -46.3 | 176.1 | -76.7 | 178.5 | -71.4 | 157.6 | -0.7 | 110.7 | D100 Q101 A102 V106 K107 D108 | D100-R104 WeakPolarHBondContact O-CG 3.31Å; D100-R104 PolarHBondContact O-N 2.8Å; D100-R104 PolarHBondContact O-NE 3.39Å; Q101-R104 PolarHBondContact O-N 3Å; A102-R104 PolarHBondContact O-N 2.93Å; R104-V106 PolarHBondContact O-N 3.11Å; R104-K107 CarbonylContact O-C 3.6Å; R104-K107 WeakPolarHBondContact O-CB 3.49Å; R104-K107 PolarHBondContact O-N 2.88Å; R104-K107 VanDerWaalsContact O-N 3.11Å; R104-D108 WeakPolarHBondContact O-CB 3.49Å; R104-D108 VanDerWaalsContact O-CG 3.22Å; R104-D108 PolarHBondContact O-N 3.15Å; R104-D108 VanDerWaalsContact O-OD2 3.13Å |
| 105 | L | 95.7 | Very high | 94.3 | Very high | 38 Ų | 38 | 43.2 Ų | 43.2 | 20% | 0.199 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.1 | -42.4 | -178.9 | -173.4 | 56.7 | 0 | 0 | 0 | 112.8 | R60 V62 Q101 A102 K107 D108 V109 | R60-L105 HydrophobicContact CB-CD1 3.93Å; R60-L105 HydrophobicContact CB-CD2 3.96Å; R60-L105 HydrophobicContact CB-CG 4.14Å; R60-L105 HydrophobicContact CG-CD1 4.14Å; V62-L105 HydrophobicContact CG2-CD2 3.58Å; V62-L105 HydrophobicContact CG2-CG 4.1Å; Q101-L105 VanDerWaalsContact O-CB 3.29Å; Q101-L105 WeakPolarHBondContact O-CB 3.24Å; Q101-L105 PolarHBondContact O-N 3.42Å; A102-L105 PolarHBondContact O-N 2.83Å; L105-K107 PolarHBondContact O-N 2.91Å; L105-D108 PolarHBondContact O-N 2.85Å; L105-V109 HydrophobicContact CD1-CG2 4.39Å; L105-V109 WeakPolarHBondContact O-CB 3.34Å; L105-V109 VanDerWaalsContact O-CG2 3.31Å; L105-V109 WeakPolarHBondContact O-CG2 3.47Å; L105-V109 PolarHBondContact O-N 3.41Å |
| 106 | V | 96.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58 | -47.1 | 172.3 | 164 | 0 | 0 | 0 | 0 | 111.5 | L57 V62 L97 A102 R104 V110 F167 | L57-V106 HydrophobicContact CD2-CB 4.42Å; L57-V106 HydrophobicContact CD2-CG2 3.79Å; V62-V106 HydrophobicContact CG1-CG2 4.48Å; L97-V106 HydrophobicContact CD2-CG2 3.97Å; A102-V106 WeakPolarHBondContact O-CG2 3.28Å; A102-V106 PolarHBondContact O-N 2.84Å; R104-V106 PolarHBondContact O-N 3.11Å; V106-V110 WeakPolarHBondContact O-CG2 3.33Å; V106-V110 PolarHBondContact O-N 3.32Å; V106-V110 VanDerWaalsContact O-N 3.11Å; V106-F167 HydrophobicContact CG1-CB 3.97Å; V106-F167 HydrophobicContact CG1-CD1 3.74Å; V106-F167 HydrophobicContact CG1-CD2 3.38Å; V106-F167 HydrophobicContact CG1-CE1 4.08Å; V106-F167 HydrophobicContact CG1-CE2 3.73Å; V106-F167 HydrophobicContact CG1-CG 3.38Å; V106-F167 HydrophobicContact CG1-CZ 4.08Å |
| 107 | K | 96.6 | Very high | 94.2 | Very high | 66 Ų | 66 | 46.8 Ų | 46.8 | 29% | 0.287 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -65.5 | -42.4 | 179.2 | -179.7 | -130.9 | 66.6 | -174.1 | 0 | 111.2 | F103 R104 L105 V110 M111 | F103-K107 PolarHBondContact O-N 3.11Å; R104-K107 CarbonylContact O-C 3.6Å; R104-K107 WeakPolarHBondContact O-CB 3.49Å; R104-K107 PolarHBondContact O-N 2.88Å; R104-K107 VanDerWaalsContact O-N 3.11Å; L105-K107 PolarHBondContact O-N 2.91Å; K107-V110 PolarHBondContact O-N 3.46Å; K107-M111 WeakPolarHBondContact O-CG 3.13Å; K107-M111 PolarHBondContact O-N 3.42Å; K107-M111 VanDerWaalsContact O-N 3.15Å |
| 108 | D | 96.1 | Very high | 94.3 | Very high | 55 Ų | 55 | 47.1 Ų | 47.1 | 29% | 0.294 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -66.3 | -44.2 | 178.5 | -65 | -32.3 | 0 | 0 | 0 | 111 | R104 L105 V110 M111 D112 | R104-D108 WeakPolarHBondContact O-CB 3.49Å; R104-D108 VanDerWaalsContact O-CG 3.22Å; R104-D108 PolarHBondContact O-N 3.15Å; R104-D108 VanDerWaalsContact O-OD2 3.13Å; L105-D108 PolarHBondContact O-N 2.85Å; D108-V110 PolarHBondContact O-N 3.24Å; D108-M111 PolarHBondContact O-N 3.09Å; D108-M111 VanDerWaalsContact O-N 3.09Å; D108-D112 PolarHBondContact O-N 3.03Å |
| 109 | V | 97.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -55.8 | -45.6 | 173.5 | 160.9 | 0 | 0 | 0 | 0 | 112 | R56 L57 R60 L105 M111 D112 C113 | R56-V109 HydrophobicContact CB-CG1 3.51Å; R56-V109 HydrophobicContact CB-CG2 4.42Å; L57-V109 HydrophobicContact CD2-CB 4.16Å; L57-V109 HydrophobicContact CD2-CG1 4Å; L57-V109 HydrophobicContact CD2-CG2 4.28Å; L57-V109 HydrophobicContact CG-CG1 4.04Å; R60-V109 HydrophobicContact CB-CG2 4.46Å; R60-V109 HydrophobicContact CG-CG2 3.86Å; L105-V109 HydrophobicContact CD1-CG2 4.39Å; L105-V109 WeakPolarHBondContact O-CB 3.34Å; L105-V109 VanDerWaalsContact O-CG2 3.31Å; L105-V109 WeakPolarHBondContact O-CG2 3.47Å; L105-V109 PolarHBondContact O-N 3.41Å; V109-M111 VanDerWaalsContact C-N 3.31Å; V109-M111 PolarHBondContact O-N 3.15Å; V109-D112 PolarHBondContact O-N 3.38Å; V109-C113 PolarHBondContact O-N 2.95Å; V109-C113 PolarHBondContact O-SG 3.37Å |
| 110 | V | 97 | Very high | 94.3 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.012 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.1 | -32.8 | 178.6 | 173.4 | 0 | 0 | 0 | 0 | 111.9 | V53 V106 K107 D108 L114 I153 L165 F167 | V53-V110 HydrophobicContact CG1-CG2 4.3Å; V53-V110 HydrophobicContact CG2-CG2 4.45Å; V106-V110 WeakPolarHBondContact O-CG2 3.33Å; V106-V110 PolarHBondContact O-N 3.32Å; V106-V110 VanDerWaalsContact O-N 3.11Å; K107-V110 PolarHBondContact O-N 3.46Å; D108-V110 PolarHBondContact O-N 3.24Å; V110-L114 HydrophobicContact CG1-CD1 4.48Å; V110-L114 WeakPolarHBondContact O-CG 3.41Å; V110-L114 PolarHBondContact O-N 2.86Å; V110-I153 HydrophobicContact CB-CD1 3.79Å; V110-I153 HydrophobicContact CG1-CD1 3.92Å; V110-I153 HydrophobicContact CG1-CG2 4.18Å; V110-I153 HydrophobicContact CG2-CD1 3.98Å; V110-L165 HydrophobicContact CG1-CD1 3.98Å; V110-L165 HydrophobicContact CG2-CD1 4.26Å; V110-F167 HydrophobicContact CG2-CE2 4Å; V110-F167 HydrophobicContact CG2-CZ 3.58Å |
| 111 | M | 96.9 | Very high | 93.9 | Very high | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.02 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69 | -41.4 | 172.1 | -61.3 | -48.9 | 110.5 | 0 | 0 | 111.7 | K107 D108 V109 C113 L114 L115 P129 L132 K133 V137 I153 | K107-M111 WeakPolarHBondContact O-CG 3.13Å; K107-M111 PolarHBondContact O-N 3.42Å; K107-M111 VanDerWaalsContact O-N 3.15Å; D108-M111 PolarHBondContact O-N 3.09Å; D108-M111 VanDerWaalsContact O-N 3.09Å; V109-M111 VanDerWaalsContact C-N 3.31Å; V109-M111 PolarHBondContact O-N 3.15Å; M111-C113 VanDerWaalsContact C-N 3.32Å; M111-C113 PolarHBondContact O-N 3.37Å; M111-L114 HydrophobicContact CE-CD1 4.22Å; M111-L114 PolarHBondContact O-N 3.11Å; M111-L114 HydrophobicContact SD-CD1 4.16Å; M111-L115 PolarHBondContact O-N 3.12Å; M111-P129 HydrophobicContact CB-CB 3.93Å; M111-P129 HydrophobicContact CG-CB 4.06Å; M111-L132 WeakPolarHBondContact O-CD1 3.48Å; M111-L132 HydrophobicContact SD-CB 4.26Å; M111-K133 HydrophobicContact SD-CB 3.94Å; M111-V137 HydrophobicContact CE-CG2 3.79Å; M111-V137 HydrophobicContact SD-CG2 4.32Å; M111-I153 HydrophobicContact CE-CD1 4.45Å; M111-I153 HydrophobicContact CE-CG2 4.41Å |
| 112 | D | 95.3 | Very high | 93.6 | Very high | 47 Ų | 47 | 40 Ų | 40 | 25% | 0.251 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -58.7 | -44.4 | 174.3 | -69.9 | -11.4 | 0 | 0 | 0 | 110.2 | R60 D108 V109 L114 L115 D116 | R60-D112 IonicContact CZ-OD2 3.99Å; R60-D112 IonicContact NH2-OD2 3.91Å; R60-D112 PolarHBondContact NH2-OD2 2.96Å; D108-D112 PolarHBondContact O-N 3.03Å; V109-D112 PolarHBondContact O-N 3.38Å; D112-L114 PolarHBondContact O-N 3.45Å; D112-L115 WeakPolarHBondContact O-CB 3.34Å; D112-L115 PolarHBondContact O-N 3.15Å; D112-D116 PolarHBondContact O-N 3.24Å |
| 113 | C | 95.7 | Very high | 93.2 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.007 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.1 | -43.9 | 174.6 | -63.1 | 0 | 0 | 0 | 0 | 112.6 | V52 V53 V109 M111 L115 D116 F117 | V52-C113 HydrophobicContact CG1-CB 4.36Å; V53-C113 HydrophobicContact CG2-CB 4.23Å; V109-C113 PolarHBondContact O-N 2.95Å; V109-C113 PolarHBondContact O-SG 3.37Å; M111-C113 VanDerWaalsContact C-N 3.32Å; M111-C113 PolarHBondContact O-N 3.37Å; C113-L115 VanDerWaalsContact C-N 3.26Å; C113-L115 PolarHBondContact O-N 3.18Å; C113-D116 WeakPolarHBondContact O-CB 3.35Å; C113-D116 PolarHBondContact O-N 3.43Å; C113-D116 VanDerWaalsContact O-N 3.15Å; C113-F117 HydrophobicContact CB-CD2 4.45Å; C113-F117 HydrophobicContact CB-CE2 3.93Å; C113-F117 WeakPolarHBondContact O-CD2 3.34Å; C113-F117 WeakPolarHBondContact O-CG 3.39Å; C113-F117 PolarHBondContact O-N 3.49Å |
| 114 | L | 95.1 | Very high | 92.9 | Very high | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.016 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62 | -33.3 | 175.6 | -73 | 169.7 | 0 | 0 | 0 | 112.3 | L42 V110 M111 D112 L132 L155 | L42-L114 HydrophobicContact CD1-CD2 3.94Å; V110-L114 HydrophobicContact CG1-CD1 4.48Å; V110-L114 WeakPolarHBondContact O-CG 3.41Å; V110-L114 PolarHBondContact O-N 2.86Å; M111-L114 HydrophobicContact CE-CD1 4.22Å; M111-L114 PolarHBondContact O-N 3.11Å; M111-L114 HydrophobicContact SD-CD1 4.16Å; D112-L114 PolarHBondContact O-N 3.45Å; L114-L132 HydrophobicContact CB-CD1 4.46Å; L114-L155 HydrophobicContact CD1-CD2 4.08Å; L114-L155 HydrophobicContact CD2-CD1 4.33Å; L114-L155 HydrophobicContact CD2-CD2 4.28Å |
| 115 | L | 94.1 | Very high | 92.3 | Very high | 39 Ų | 39 | 50.5 Ų | 50.5 | 20% | 0.204 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.8 | -42.9 | 172.7 | -166.5 | 75.6 | 0 | 0 | 0 | 111.2 | M111 D112 C113 F117 L118 K124 I127 L132 | M111-L115 PolarHBondContact O-N 3.12Å; D112-L115 WeakPolarHBondContact O-CB 3.34Å; D112-L115 PolarHBondContact O-N 3.15Å; C113-L115 VanDerWaalsContact C-N 3.26Å; C113-L115 PolarHBondContact O-N 3.18Å; L115-F117 VanDerWaalsContact C-N 3.31Å; L115-F117 PolarHBondContact O-N 3.37Å; L115-L118 HydrophobicContact CD1-CD1 3.85Å; L115-L118 WeakPolarHBondContact O-CB 3.48Å; L115-L118 PolarHBondContact O-N 3.47Å; L115-K124 HydrophobicContact CD1-CB 4.1Å; L115-K124 HydrophobicContact CD1-CG 4.5Å; L115-K124 HydrophobicContact CD2-CB 4.42Å; L115-K124 HydrophobicContact CG-CB 4.22Å; L115-K124 HydrophobicContact CG-CD 4.33Å; L115-K124 WeakPolarHBondContact O-CD 3.49Å; L115-K124 WeakPolarHBondContact O-CE 3.48Å; L115-K124 PolarHBondContact O-NZ 3.39Å; L115-I127 HydrophobicContact CD1-CB 3.81Å; L115-I127 HydrophobicContact CD1-CD1 4.49Å; L115-I127 HydrophobicContact CD1-CG2 3.81Å; L115-L132 HydrophobicContact CB-CD1 3.77Å; L115-L132 HydrophobicContact CD1-CD1 3.91Å; L115-L132 HydrophobicContact CG-CD1 4.43Å |
| 116 | D | 92.6 | Very high | 91.7 | Very high | 71 Ų | 71 | 58 Ų | 58 | 38% | 0.38 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.3 | -40.7 | 176.3 | -77.5 | -19.6 | 0 | 0 | 0 | 111.3 | R56 D112 C113 L118 K124 | R56-D116 IonicContact CZ-OD2 3.61Å; R56-D116 IonicContact NE-OD2 3.51Å; R56-D116 IonicContact NH2-OD2 2.7Å; R56-D116 PolarHBondContact NH2-OD2 2.91Å; D112-D116 PolarHBondContact O-N 3.24Å; C113-D116 WeakPolarHBondContact O-CB 3.35Å; C113-D116 PolarHBondContact O-N 3.43Å; C113-D116 VanDerWaalsContact O-N 3.15Å; D116-L118 VanDerWaalsContact C-N 3.3Å; D116-L118 PolarHBondContact O-N 3.25Å; D116-K124 PolarHBondContact O-NZ 3.15Å |
| 117 | F | 94.3 | Very high | 91.4 | Very high | 39 Ų | 39 | 59.4 Ų | 59.4 | 17% | 0.171 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -10.5 | 179.1 | -65.3 | -40.2 | 0 | 0 | 0 | 116.3 | L42 L44 I49 V52 C113 L115 | L42-F117 HydrophobicContact CD1-CB 4.16Å; L44-F117 HydrophobicContact CD1-CB 3.86Å; L44-F117 HydrophobicContact CD1-CD1 4.13Å; L44-F117 HydrophobicContact CD1-CD2 3.36Å; L44-F117 HydrophobicContact CD1-CE2 3.89Å; L44-F117 HydrophobicContact CD1-CG 3.52Å; L44-F117 HydrophobicContact CD1-CZ 4.47Å; L44-F117 HydrophobicContact CD2-CB 3.91Å; L44-F117 HydrophobicContact CD2-CD1 3.62Å; L44-F117 HydrophobicContact CD2-CD2 4.37Å; L44-F117 HydrophobicContact CD2-CE1 4.24Å; L44-F117 HydrophobicContact CD2-CG 3.71Å; L44-F117 HydrophobicContact CG-CB 4.49Å; L44-F117 HydrophobicContact CG-CG 4.3Å; I49-F117 HydrophobicContact CG1-CE2 4.28Å; I49-F117 HydrophobicContact CG1-CZ 4.35Å; V52-F117 HydrophobicContact CB-CE1 4.39Å; V52-F117 HydrophobicContact CB-CZ 4Å; V52-F117 HydrophobicContact CG1-CZ 4.24Å; V52-F117 HydrophobicContact CG2-CE1 4.12Å; V52-F117 HydrophobicContact CG2-CZ 4.21Å; C113-F117 HydrophobicContact CB-CD2 4.45Å; C113-F117 HydrophobicContact CB-CE2 3.93Å; C113-F117 WeakPolarHBondContact O-CD2 3.34Å; C113-F117 WeakPolarHBondContact O-CG 3.39Å; C113-F117 PolarHBondContact O-N 3.49Å; L115-F117 VanDerWaalsContact C-N 3.31Å; L115-F117 PolarHBondContact O-N 3.37Å |
| 118 | L | 93.7 | Very high | 91.2 | Very high | 7 Ų | 7 | 58.5 Ų | 58.5 | 4% | 0.037 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -62.7 | 139.1 | 176.3 | -73.7 | 165.7 | 0 | 0 | 0 | 111.8 | P40 L42 L115 D116 V122 K124 I127 L132 Y136 | P40-L118 HydrophobicContact CG-CD2 4.01Å; L42-L118 HydrophobicContact CD2-CD2 4.11Å; L115-L118 HydrophobicContact CD1-CD1 3.85Å; L115-L118 WeakPolarHBondContact O-CB 3.48Å; L115-L118 PolarHBondContact O-N 3.47Å; D116-L118 VanDerWaalsContact C-N 3.3Å; D116-L118 PolarHBondContact O-N 3.25Å; L118-V122 HydrophobicContact CB-CB 4.31Å; L118-V122 HydrophobicContact CB-CG1 4.45Å; L118-V122 HydrophobicContact CD1-CG1 4.03Å; L118-V122 HydrophobicContact CD2-CG1 4.42Å; L118-K124 PolarHBondContact O-NZ 3.46Å; L118-I127 HydrophobicContact CD1-CD1 3.6Å; L118-L132 HydrophobicContact CD1-CD2 4.36Å; L118-Y136 HydrophobicContact CD2-CE2 4.29Å; L118-Y136 WeakPolarHBondContact CD2-OH 3.45Å |
| 119 | P | 91.4 | Very high | 91 | Very high | 62 Ų | 62 | 58.8 Ų | 58.8 | 40% | 0.403 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 156.3 | -177.3 | 26.2 | -34.1 | 0 | 0 | 0 | 112.9 | P40 G121 V122 | P40-P119 HydrophobicContact CB-CG 4.21Å; P40-P119 HydrophobicContact CG-CG 3.99Å; P119-G121 PolarHBondContact O-N 3.19Å; P119-V122 HydrophobicContact CG-CG2 3.95Å; P119-V122 WeakPolarHBondContact O-CG2 3.48Å; P119-V122 PolarHBondContact O-N 2.95Å |
| 120 | A | 85 | Confident | 90.9 | Very high | 112 Ų | 112 | 63.6 Ų | 63.6 | 93% | 0.926 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | 135.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 121 | G | 81.6 | Confident | 90.7 | Very high | 82 Ų | 82 | 65.9 Ų | 65.9 | 85% | 0.845 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.9 | -13 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115 | P119 | P119-G121 PolarHBondContact O-N 3.19Š|
| 122 | V | 87.6 | Confident | 90.6 | Very high | 46 Ų | 46 | 65.8 Ų | 65.8 | 28% | 0.279 | 36% | 0.363 | S | S | . | . | trans | -76.4 | 125.8 | 169.8 | -177.9 | 0 | 0 | 0 | 0 | 110 | P40 L118 P119 K124 I127 | P40-V122 HydrophobicContact CG-CG2 4.41Å; L118-V122 HydrophobicContact CB-CB 4.31Å; L118-V122 HydrophobicContact CB-CG1 4.45Å; L118-V122 HydrophobicContact CD1-CG1 4.03Å; L118-V122 HydrophobicContact CD2-CG1 4.42Å; P119-V122 HydrophobicContact CG-CG2 3.95Å; P119-V122 WeakPolarHBondContact O-CG2 3.48Å; P119-V122 PolarHBondContact O-N 2.95Å; V122-K124 PolarHBondContact O-N 2.9Å; V122-I127 HydrophobicContact CG1-CD1 3.58Å | ||
| 123 | R | 84.9 | Confident | 90.5 | Very high | 162 Ų | 162 | 66.8 Ų | 66.8 | 61% | 0.611 | 37% | 0.365 | S | S | * | . | trans | -72.8 | 93.1 | 175.7 | -69.9 | -175.5 | -65.8 | -163.7 | -4.1 | 110.8 | E125 | R123-E125 VanDerWaalsContact C-N 3.26Å; R123-E125 VanDerWaalsContact C-OE2 3.32Å; R123-E125 WeakPolarHBondContact CA-OE2 3.44Å; R123-E125 WeakPolarHBondContact CB-OE2 3.22Å; R123-E125 PolarHBondContact O-N 2.99Å | ||
| 124 | K | 87.9 | Confident | 90.5 | Very high | 63 Ų | 63 | 71.7 Ų | 71.7 | 27% | 0.274 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -67.2 | -26.9 | -174.3 | -59 | -168.6 | -178.9 | -155.8 | 0 | 112.4 | L115 D116 L118 V122 R126 I127 | L115-K124 HydrophobicContact CD1-CB 4.1Å; L115-K124 HydrophobicContact CD1-CG 4.5Å; L115-K124 HydrophobicContact CD2-CB 4.42Å; L115-K124 HydrophobicContact CG-CB 4.22Å; L115-K124 HydrophobicContact CG-CD 4.33Å; L115-K124 WeakPolarHBondContact O-CD 3.49Å; L115-K124 WeakPolarHBondContact O-CE 3.48Å; L115-K124 PolarHBondContact O-NZ 3.39Å; D116-K124 PolarHBondContact O-NZ 3.15Å; L118-K124 PolarHBondContact O-NZ 3.46Å; V122-K124 PolarHBondContact O-N 2.9Å; K124-R126 PolarHBondContact O-N 2.79Å; K124-R126 VanDerWaalsContact O-N 3.12Å; K124-I127 PolarHBondContact O-N 3.27Å; K124-I127 VanDerWaalsContact O-N 3.11Å |
| 125 | E | 82.8 | Confident | 90.4 | Very high | 162 Ų | 162 | 71.7 Ų | 71.7 | 76% | 0.757 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -66.8 | -17.3 | -172.4 | -45.1 | 70.3 | -146.7 | 0 | 0 | 113.7 | R123 | R123-E125 VanDerWaalsContact C-N 3.26Å; R123-E125 VanDerWaalsContact C-OE2 3.32Å; R123-E125 WeakPolarHBondContact CA-OE2 3.44Å; R123-E125 WeakPolarHBondContact CB-OE2 3.22Å; R123-E125 PolarHBondContact O-N 2.99Å |
| 126 | R | 83.3 | Confident | 90.5 | Very high | 195 Ų | 195 | 69.8 Ų | 69.8 | 74% | 0.736 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -103.9 | -1.7 | 179.8 | -62.5 | -173 | 179.3 | -161.5 | -2.4 | 113.5 | K124 | K124-R126 PolarHBondContact O-N 2.79Å; K124-R126 VanDerWaalsContact O-N 3.12Å |
| 127 | I | 90.4 | Very high | 90.7 | Very high | 29 Ų | 29 | 67 Ų | 67 | 15% | 0.149 | 36% | 0.363 | C | S | . | . | trans | -97.9 | 115.2 | -172.8 | -62.6 | 175.7 | 0 | 0 | 0 | 108.6 | F39 L115 L118 V122 K124 L132 | F39-I127 HydrophobicContact CE1-CD1 4.31Å; F39-I127 HydrophobicContact CE1-CG2 4.34Å; L115-I127 HydrophobicContact CD1-CB 3.81Å; L115-I127 HydrophobicContact CD1-CD1 4.49Å; L115-I127 HydrophobicContact CD1-CG2 3.81Å; L118-I127 HydrophobicContact CD1-CD1 3.6Å; V122-I127 HydrophobicContact CG1-CD1 3.58Å; K124-I127 PolarHBondContact O-N 3.27Å; K124-I127 VanDerWaalsContact O-N 3.11Å; I127-L132 HydrophobicContact CG2-CD1 4.09Å; I127-L132 HydrophobicContact CG2-CD2 3.73Å; I127-L132 HydrophobicContact CG2-CG 3.58Å | ||
| 128 | S | 92.6 | Very high | 90.6 | Very high | 47 Ų | 47 | 69 Ų | 69 | 33% | 0.329 | 37% | 0.374 | S | S | . | . | trans | -83.5 | 154.2 | 176.4 | 82 | 0 | 0 | 0 | 0 | 111.7 | L130 T131 L132 | S128-L130 PolarHBondContact O-N 3.18Å; S128-L130 PolarHBondContact OG-N 3.42Å; S128-T131 WeakPolarHBondContact O-CB 3.44Å; S128-T131 PolarHBondContact O-N 2.9Å; S128-T131 PolarHBondContact OG-N 2.97Å; S128-T131 VanDerWaalsContact OG-N 3.13Å; S128-T131 PolarHBondContact OG-OG1 2.87Å; S128-L132 PolarHBondContact O-N 3.27Å; S128-L132 VanDerWaalsContact O-N 3.09Å | ||
| 129 | P | 92.7 | Very high | 90.5 | Very high | 61 Ų | 61 | 73.4 Ų | 73.4 | 40% | 0.396 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -56.6 | -30.3 | 171.2 | -27.1 | 35.8 | 0 | 0 | 0 | 113.4 | M111 K133 | M111-P129 HydrophobicContact CB-CB 3.93Å; M111-P129 HydrophobicContact CG-CB 4.06Å; P129-K133 WeakPolarHBondContact O-CB 3.4Å; P129-K133 PolarHBondContact O-N 2.88Å |
| 130 | L | 93.5 | Very high | 90.7 | Very high | 102 Ų | 102 | 74.3 Ų | 74.3 | 53% | 0.534 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.6 | -42.2 | 175.1 | -179.2 | 64 | 0 | 0 | 0 | 111.5 | S128 K133 E134 | S128-L130 PolarHBondContact O-N 3.18Å; S128-L130 PolarHBondContact OG-N 3.42Å; L130-K133 HydrophobicContact CD1-CD 4.36Å; L130-K133 WeakPolarHBondContact O-CB 3.32Å; L130-K133 PolarHBondContact O-N 2.84Å; L130-E134 WeakPolarHBondContact CD1-OE1 3.41Å; L130-E134 PolarHBondContact O-N 3.4Å |
| 131 | T | 93.3 | Very high | 91.3 | Very high | 50 Ų | 50 | 71 Ų | 71 | 31% | 0.307 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -67 | -40.1 | 178.1 | -40.6 | 0 | 0 | 0 | 0 | 111.4 | F39 S128 E134 A135 | F39-T131 HydrophobicContact CE2-CG2 3.8Å; F39-T131 HydrophobicContact CZ-CG2 3.52Å; S128-T131 WeakPolarHBondContact O-CB 3.44Å; S128-T131 PolarHBondContact O-N 2.9Å; S128-T131 PolarHBondContact OG-N 2.97Å; S128-T131 VanDerWaalsContact OG-N 3.13Å; S128-T131 PolarHBondContact OG-OG1 2.87Å; T131-E134 PolarHBondContact O-N 3.46Å; T131-A135 VanDerWaalsContact O-CB 3.26Å; T131-A135 WeakPolarHBondContact O-CB 3.23Å; T131-A135 PolarHBondContact O-N 2.66Å |
| 132 | L | 94.2 | Very high | 92 | Very high | 2 Ų | 2 | 71.9 Ų | 71.9 | 1% | 0.01 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.7 | -42.4 | 173.7 | -71.2 | 171.8 | 0 | 0 | 0 | 112.4 | F39 M111 L114 L115 L118 I127 S128 E134 A135 Y136 | F39-L132 HydrophobicContact CE1-CD2 4.4Å; M111-L132 WeakPolarHBondContact O-CD1 3.48Å; M111-L132 HydrophobicContact SD-CB 4.26Å; L114-L132 HydrophobicContact CB-CD1 4.46Å; L115-L132 HydrophobicContact CB-CD1 3.77Å; L115-L132 HydrophobicContact CD1-CD1 3.91Å; L115-L132 HydrophobicContact CG-CD1 4.43Å; L118-L132 HydrophobicContact CD1-CD2 4.36Å; I127-L132 HydrophobicContact CG2-CD1 4.09Å; I127-L132 HydrophobicContact CG2-CD2 3.73Å; I127-L132 HydrophobicContact CG2-CG 3.58Å; S128-L132 PolarHBondContact O-N 3.27Å; S128-L132 VanDerWaalsContact O-N 3.09Å; L132-E134 VanDerWaalsContact C-N 3.34Å; L132-E134 PolarHBondContact O-N 2.9Å; L132-A135 PolarHBondContact O-N 2.83Å; L132-Y136 HydrophobicContact CD2-CD2 3.94Å; L132-Y136 HydrophobicContact CD2-CE2 3.8Å; L132-Y136 PolarHBondContact O-N 3.01Å |
| 133 | K | 94.8 | Very high | 92.3 | Very high | 67 Ų | 67 | 71.3 Ų | 71.3 | 29% | 0.291 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -57.1 | -47.2 | 173.6 | 179.8 | -136.3 | 67.6 | -176.9 | 0 | 110.9 | M111 P129 L130 V137 | M111-K133 HydrophobicContact SD-CB 3.94Å; P129-K133 WeakPolarHBondContact O-CB 3.4Å; P129-K133 PolarHBondContact O-N 2.88Å; L130-K133 HydrophobicContact CD1-CD 4.36Å; L130-K133 WeakPolarHBondContact O-CB 3.32Å; L130-K133 PolarHBondContact O-N 2.84Å; K133-V137 HydrophobicContact CG-CB 4.37Å; K133-V137 HydrophobicContact CG-CG2 4.45Å; K133-V137 VanDerWaalsContact O-CB 3.29Å; K133-V137 WeakPolarHBondContact O-CB 3.25Å; K133-V137 PolarHBondContact O-N 3.37Å; K133-V137 VanDerWaalsContact O-N 3.12Å |
| 134 | E | 94.4 | Very high | 92.8 | Very high | 104 Ų | 104 | 66.5 Ų | 66.5 | 49% | 0.486 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -68.8 | -30.6 | 177.3 | -88.7 | 145.9 | -142.3 | 0 | 0 | 114.4 | R36 L130 T131 L132 | R36-E134 WeakPolarHBondContact CD-O 3.43Å; L130-E134 WeakPolarHBondContact CD1-OE1 3.41Å; L130-E134 PolarHBondContact O-N 3.4Å; T131-E134 PolarHBondContact O-N 3.46Å; L132-E134 VanDerWaalsContact C-N 3.34Å; L132-E134 PolarHBondContact O-N 2.9Å |
| 135 | A | 94.5 | Very high | 93 | Very high | 3 Ų | 3 | 67 Ų | 67 | 3% | 0.025 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -76.8 | -45.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | R36 F39 T131 L132 | R36-A135 WeakPolarHBondContact CG-O 3.38Å; R36-A135 PolarHBondContact N-O 3.46Å; F39-A135 HydrophobicContact CB-CB 3.99Å; F39-A135 HydrophobicContact CD1-CB 3.83Å; F39-A135 HydrophobicContact CD2-CB 3.6Å; F39-A135 HydrophobicContact CE1-CB 4.23Å; F39-A135 HydrophobicContact CE2-CB 4.03Å; F39-A135 HydrophobicContact CG-CB 3.5Å; F39-A135 VanDerWaalsContact CG-CB 3.5Å; F39-A135 HydrophobicContact CZ-CB 4.34Å; T131-A135 VanDerWaalsContact O-CB 3.26Å; T131-A135 WeakPolarHBondContact O-CB 3.23Å; T131-A135 PolarHBondContact O-N 2.66Å; L132-A135 PolarHBondContact O-N 2.83Å |
| 136 | Y | 95.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -118.6 | -22.2 | -165.6 | -64.4 | -68.7 | 0 | 0 | 0 | 115.1 | I33 F39 P40 L42 L118 L132 S156 | I33-Y136 HydrophobicContact CG2-CD1 3.95Å; F39-Y136 HydrophobicContact CB-CE1 4.49Å; F39-Y136 HydrophobicContact CB-CE2 4.42Å; F39-Y136 AromaticContact CD1-CE2 3.79Å; F39-Y136 HydrophobicContact CD1-CE2 3.79Å; F39-Y136 HydrophobicContact CG-CE2 4.42Å; P40-Y136 WeakPolarHBondContact CD-OH 3.39Å; P40-Y136 VanDerWaalsContact O-CE1 3.28Å; P40-Y136 WeakPolarHBondContact O-CE1 3.32Å; P40-Y136 PolarHBondContact O-OH 3.17Å; L42-Y136 HydrophobicContact CD1-CD1 4.32Å; L42-Y136 HydrophobicContact CD1-CE1 4.04Å; L42-Y136 HydrophobicContact CD1-CE2 4.48Å; L42-Y136 HydrophobicContact CD2-CE1 4.32Å; L42-Y136 HydrophobicContact CG-CD1 4.45Å; L42-Y136 HydrophobicContact CG-CE1 3.78Å; L118-Y136 HydrophobicContact CD2-CE2 4.29Å; L118-Y136 WeakPolarHBondContact CD2-OH 3.45Å; L132-Y136 HydrophobicContact CD2-CD2 3.94Å; L132-Y136 HydrophobicContact CD2-CE2 3.8Å; L132-Y136 PolarHBondContact O-N 3.01Å; Y136-S156 PolarHBondContact O-N 2.92Å |
| 137 | V | 95.8 | Very high | 93.6 | Very high | 11 Ų | 11 | 61.3 Ų | 61.3 | 7% | 0.067 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 115.1 | -177.8 | -176.7 | 0 | 0 | 0 | 0 | 109.8 | M111 K133 K139 L140 I153 L155 | M111-V137 HydrophobicContact CE-CG2 3.79Å; M111-V137 HydrophobicContact SD-CG2 4.32Å; K133-V137 HydrophobicContact CG-CB 4.37Å; K133-V137 HydrophobicContact CG-CG2 4.45Å; K133-V137 VanDerWaalsContact O-CB 3.29Å; K133-V137 WeakPolarHBondContact O-CB 3.25Å; K133-V137 PolarHBondContact O-N 3.37Å; K133-V137 VanDerWaalsContact O-N 3.12Å; V137-K139 WeakPolarHBondContact CG1-O 3.34Å; V137-L140 HydrophobicContact CG1-CB 4.28Å; V137-I153 HydrophobicContact CG1-CG2 3.89Å; V137-I153 HydrophobicContact CG2-CG2 3.87Å; V137-L155 HydrophobicContact CG2-CD2 4.29Å |
| 138 | Q | 92.3 | Very high | 93.7 | Very high | 83 Ų | 83 | 60.5 Ų | 60.5 | 39% | 0.388 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | -36.4 | 175.6 | -178 | 172.8 | -2 | 0 | 0 | 111.8 | S154 N162 | Q138-S154 PolarHBondContact N-O 2.88Å; Q138-N162 PolarHBondContact OE1-OD1 3.13Å |
| 139 | K | 93.1 | Very high | 93.9 | Very high | 99 Ų | 99 | 61.8 Ų | 61.8 | 43% | 0.43 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 133.8 | -174.6 | 174.7 | -171.7 | 168.3 | -154.4 | 0 | 110.3 | V137 V141 L152 S154 E164 | V137-K139 WeakPolarHBondContact CG1-O 3.34Å; K139-V141 HydrophobicContact CG-CG2 4.07Å; K139-L152 HydrophobicContact CD-CD2 4.37Å; K139-L152 HydrophobicContact CG-CD2 4.47Å; K139-S154 PolarHBondContact N-O 2.86Å; K139-S154 PolarHBondContact O-N 3.04Å; K139-E164 IonicContact NZ-OE1 3.59Å |
| 140 | L | 95.4 | Very high | 94.1 | Very high | 80 Ų | 80 | 60.8 Ų | 60.8 | 42% | 0.419 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 128.3 | 176.7 | 179.7 | 64.9 | 0 | 0 | 0 | 108.2 | V137 L152 I153 | V137-L140 HydrophobicContact CG1-CB 4.28Å; L140-L152 WeakPolarHBondContact CA-O 3.34Å; L140-I153 HydrophobicContact CD1-CD1 4.27Å; L140-I153 HydrophobicContact CD1-CG1 3.74Å |
| 141 | V | 96.3 | Very high | 94.3 | Very high | 43 Ų | 43 | 56.2 Ų | 56.2 | 26% | 0.261 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 134.1 | 178.7 | -172.7 | 0 | 0 | 0 | 0 | 109.5 | K139 V143 W150 S151 L152 | K139-V141 HydrophobicContact CG-CG2 4.07Å; V141-V143 HydrophobicContact CG1-CG2 4.01Å; V141-W150 HydrophobicContact CB-CZ3 4.4Å; V141-W150 HydrophobicContact CG1-CH2 4.18Å; V141-W150 HydrophobicContact CG1-CZ3 4.21Å; V141-S151 CarbonylContact O-C 3.57Å; V141-S151 WeakPolarHBondContact O-CA 3.42Å; V141-S151 PolarHBondContact O-OG 3.39Å; V141-L152 HydrophobicContact CB-CB 4.27Å; V141-L152 HydrophobicContact CG2-CD2 4.44Å; V141-L152 PolarHBondContact N-O 2.83Å; V141-L152 PolarHBondContact O-N 3.26Å |
| 142 | K | 96.1 | Very high | 94.5 | Very high | 101 Ų | 101 | 54.3 Ų | 54.3 | 44% | 0.439 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 127.3 | 167.4 | 179.3 | -171.3 | 176.9 | -159.9 | 0 | 108.1 | D100 F103 | D100-K142 IonicContact OD1-NZ 3.85Å; D100-K142 PolarHBondContact OD1-NZ 2.87Å; D100-K142 IonicContact OD2-NZ 3.22Å; D100-K142 PolarHBondContact OD2-NZ 2.93Å; F103-K142 HydrophobicContact CB-CD 4.45Å; F103-K142 HydrophobicContact CD1-CD 4.2Å; F103-K142 HydrophobicContact CD1-CG 3.74Å; F103-K142 HydrophobicContact CE1-CG 3.84Å; F103-K142 HydrophobicContact CG-CD 4.22Å; F103-K142 HydrophobicContact CG-CG 4.25Å; F103-K142 HydrophobicContact CZ-CG 4.46Å |
| 143 | V | 95.4 | Very high | 94.7 | Very high | 34 Ų | 34 | 54.2 Ų | 54.2 | 21% | 0.206 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 124.6 | 169.5 | -175.8 | 0 | 0 | 0 | 0 | 108.2 | V141 D148 R149 W150 | V141-V143 HydrophobicContact CG1-CG2 4.01Å; V143-D148 HydrophobicContact CG1-CB 3.77Å; V143-R149 WeakPolarHBondContact O-CA 3.46Å; V143-W150 HydrophobicContact CB-CD2 4.15Å; V143-W150 HydrophobicContact CB-CG 4.33Å; V143-W150 HydrophobicContact CB-CZ2 4.2Å; V143-W150 HydrophobicContact CG2-CD2 4.14Å; V143-W150 HydrophobicContact CG2-CH2 3.94Å; V143-W150 HydrophobicContact CG2-CZ2 3.47Å; V143-W150 VanDerWaalsContact CG2-CZ2 3.47Å; V143-W150 HydrophobicContact CG2-CZ3 4.44Å; V143-W150 PolarHBondContact N-O 2.94Å; V143-W150 PolarHBondContact O-N 3.2Å; V143-W150 VanDerWaalsContact O-O 3.08Å |
| 144 | C | 94.5 | Very high | 94.7 | Very high | 61 Ų | 61 | 51.1 Ų | 51.1 | 41% | 0.412 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 99.5 | 175.8 | -173 | 0 | 0 | 0 | 0 | 108.1 | F103 D148 | F103-C144 HydrophobicContact CE2-CB 3.98Å; F103-C144 HydrophobicContact CZ-CB 3.95Å; C144-D148 WeakPolarHBondContact CA-O 3.34Å |
| 145 | N | 92 | Very high | 94.7 | Very high | 72 Ų | 72 | 46.4 Ų | 46.4 | 39% | 0.385 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -140.5 | -175.5 | 172 | 66.2 | 54.7 | 0 | 0 | 0 | 109.1 | T147 D148 | N145-T147 PolarHBondContact O-N 3.02Å; N145-T147 PolarHBondContact OD1-N 3.18Å; N145-T147 PolarHBondContact OD1-OG1 3.23Å; N145-D148 PolarHBondContact N-O 2.88Å; N145-D148 PolarHBondContact OD1-N 3.44Å |
| 146 | D | 88.6 | Confident | 94.4 | Very high | 173 Ų | 173 | 46.5 Ų | 46.5 | 93% | 0.925 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -62.9 | -26 | -173.2 | -52.7 | -40 | 0 | 0 | 0 | 114.2 | ||
| 147 | T | 89.7 | Confident | 93.8 | Very high | 66 Ų | 66 | 46.8 Ų | 46.8 | 41% | 0.405 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -106.9 | -36.1 | 179.9 | 57.3 | 0 | 0 | 0 | 0 | 113.6 | N145 S170 | N145-T147 PolarHBondContact O-N 3.02Å; N145-T147 PolarHBondContact OD1-N 3.18Å; N145-T147 PolarHBondContact OD1-OG1 3.23Å; T147-S170 WeakPolarHBondContact O-CB 3.32Å; T147-S170 PolarHBondContact O-OG 2.83Å |
| 148 | D | 93.6 | Very high | 93.1 | Very high | 11 Ų | 11 | 51.9 Ų | 51.9 | 6% | 0.059 | 27% | 0.267 | C | S | . | . | trans | -118.6 | 118.7 | -171.9 | -63.4 | -70.3 | 0 | 0 | 0 | 111.5 | V143 C144 N145 R172 | V143-D148 HydrophobicContact CG1-CB 3.77Å; C144-D148 WeakPolarHBondContact CA-O 3.34Å; N145-D148 PolarHBondContact N-O 2.88Å; N145-D148 PolarHBondContact OD1-N 3.44Å; D148-R172 WeakPolarHBondContact OD1-CB 2.99Å; D148-R172 PolarHBondContact OD1-N 2.99Å | ||
| 149 | R | 95.9 | Very high | 92.2 | Very high | 74 Ų | 74 | 52.3 Ų | 52.3 | 28% | 0.279 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 93.7 | 178.7 | -61.7 | 179 | 71 | 131.2 | 7.7 | 109.1 | L97 K98 V143 D169 S170 | L97-R149 PolarHBondContact O-NE 3.27Å; L97-R149 PolarHBondContact O-NH2 3.09Å; K98-R149 PolarHBondContact O-NH2 3.44Å; V143-R149 WeakPolarHBondContact O-CA 3.46Å; R149-D169 HydrophobicContact CB-CB 4.2Å; R149-D169 PolarHBondContact O-N 2.66Å; R149-S170 CarbonylContact C-O 3.54Å; R149-S170 PolarHBondContact N-O 2.91Å; R149-S170 PolarHBondContact N-OG 3.42Å; R149-S170 VanDerWaalsContact N-OG 3.11Å; R149-S170 PolarHBondContact O-N 3.03Å; R149-S170 VanDerWaalsContact O-N 3.15Å |
| 150 | W | 97.1 | Very high | 91 | Very high | 41 Ų | 41 | 48.6 Ų | 48.6 | 16% | 0.155 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 156.4 | -177.5 | 59.4 | -88 | 0 | 0 | 0 | 113.4 | V141 V143 L152 K166 F167 V168 L171 | V141-W150 HydrophobicContact CB-CZ3 4.4Å; V141-W150 HydrophobicContact CG1-CH2 4.18Å; V141-W150 HydrophobicContact CG1-CZ3 4.21Å; V143-W150 HydrophobicContact CB-CD2 4.15Å; V143-W150 HydrophobicContact CB-CG 4.33Å; V143-W150 HydrophobicContact CB-CZ2 4.2Å; V143-W150 HydrophobicContact CG2-CD2 4.14Å; V143-W150 HydrophobicContact CG2-CH2 3.94Å; V143-W150 HydrophobicContact CG2-CZ2 3.47Å; V143-W150 VanDerWaalsContact CG2-CZ2 3.47Å; V143-W150 HydrophobicContact CG2-CZ3 4.44Å; V143-W150 PolarHBondContact N-O 2.94Å; V143-W150 PolarHBondContact O-N 3.2Å; V143-W150 VanDerWaalsContact O-O 3.08Å; W150-L152 HydrophobicContact CE3-CB 4.12Å; W150-L152 HydrophobicContact CZ3-CB 3.73Å; W150-L152 HydrophobicContact CZ3-CD1 4.02Å; W150-K166 HydrophobicContact CE3-CG 4.31Å; W150-F167 CarbonylContact C-O 3.49Å; W150-F167 WeakPolarHBondContact CA-O 3.41Å; W150-F167 VanDerWaalsContact CB-O 3.28Å; W150-F167 WeakPolarHBondContact CB-O 3.17Å; W150-V168 HydrophobicContact CB-CB 4.44Å; W150-V168 HydrophobicContact CB-CG2 4.1Å; W150-L171 HydrophobicContact CG-CD1 4.4Å |
| 151 | S | 97.6 | Very high | 90.2 | Very high | 5 Ų | 5 | 48 Ų | 48 | 4% | 0.035 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 152.3 | 175.4 | -168.1 | 0 | 0 | 0 | 0 | 110 | V141 K166 F167 | V141-S151 CarbonylContact O-C 3.57Å; V141-S151 WeakPolarHBondContact O-CA 3.42Å; V141-S151 PolarHBondContact O-OG 3.39Å; S151-K166 CarbonylContact O-C 3.56Å; S151-K166 WeakPolarHBondContact O-CA 3.34Å; S151-F167 PolarHBondContact N-O 2.87Å; S151-F167 PolarHBondContact O-N 3.16Å |
| 152 | L | 97.6 | Very high | 89.7 | Confident | 10 Ų | 10 | 46.3 Ų | 46.3 | 5% | 0.052 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 130.8 | 177 | 179.8 | 157.8 | 0 | 0 | 0 | 110.5 | K139 L140 V141 W150 E164 L165 K166 | K139-L152 HydrophobicContact CD-CD2 4.37Å; K139-L152 HydrophobicContact CG-CD2 4.47Å; L140-L152 WeakPolarHBondContact CA-O 3.34Å; V141-L152 HydrophobicContact CB-CB 4.27Å; V141-L152 HydrophobicContact CG2-CD2 4.44Å; V141-L152 PolarHBondContact N-O 2.83Å; V141-L152 PolarHBondContact O-N 3.26Å; W150-L152 HydrophobicContact CE3-CB 4.12Å; W150-L152 HydrophobicContact CZ3-CB 3.73Å; W150-L152 HydrophobicContact CZ3-CD1 4.02Å; L152-E164 WeakPolarHBondContact CD1-OE2 3.31Å; L152-L165 WeakPolarHBondContact CA-O 3.49Å; L152-K166 HydrophobicContact CD1-CG 4.47Å |
| 153 | I | 97.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 108.4 | 176.7 | -49 | -173.3 | 0 | 0 | 0 | 107.6 | V110 M111 V137 L140 L155 L165 F167 | V110-I153 HydrophobicContact CB-CD1 3.79Å; V110-I153 HydrophobicContact CG1-CD1 3.92Å; V110-I153 HydrophobicContact CG1-CG2 4.18Å; V110-I153 HydrophobicContact CG2-CD1 3.98Å; M111-I153 HydrophobicContact CE-CD1 4.45Å; M111-I153 HydrophobicContact CE-CG2 4.41Å; V137-I153 HydrophobicContact CG1-CG2 3.89Å; V137-I153 HydrophobicContact CG2-CG2 3.87Å; L140-I153 HydrophobicContact CD1-CD1 4.27Å; L140-I153 HydrophobicContact CD1-CG1 3.74Å; I153-L155 HydrophobicContact CG2-CD2 4.21Å; I153-L165 PolarHBondContact N-O 3.36Å; I153-L165 PolarHBondContact O-N 2.84Å; I153-F167 HydrophobicContact CD1-CE2 4.22Å; I153-F167 HydrophobicContact CG1-CE2 4.27Å |
| 154 | S | 95.6 | Very high | 89.6 | Confident | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 120.8 | 178.6 | -165.7 | 0 | 0 | 0 | 0 | 109.7 | Q138 K139 E164 | Q138-S154 PolarHBondContact N-O 2.88Å; K139-S154 PolarHBondContact N-O 2.86Å; K139-S154 PolarHBondContact O-N 3.04Å; S154-E164 WeakPolarHBondContact CB-OE1 3.48Å; S154-E164 PolarHBondContact OG-OE1 2.76Å |
| 155 | L | 94.6 | Very high | 89.8 | Confident | 4 Ų | 4 | 38.2 Ų | 38.2 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 131.3 | -179.4 | -55.8 | -179.8 | 0 | 0 | 0 | 110.2 | I33 L114 V137 I153 N157 V163 L165 | I33-L155 HydrophobicContact CD1-CB 4.41Å; I33-L155 HydrophobicContact CD1-CD1 3.79Å; I33-L155 HydrophobicContact CG1-CB 4.18Å; I33-L155 HydrophobicContact CG1-CD1 4.46Å; I33-L155 HydrophobicContact CG2-CB 4.03Å; L114-L155 HydrophobicContact CD1-CD2 4.08Å; L114-L155 HydrophobicContact CD2-CD1 4.33Å; L114-L155 HydrophobicContact CD2-CD2 4.28Å; V137-L155 HydrophobicContact CG2-CD2 4.29Å; I153-L155 HydrophobicContact CG2-CD2 4.21Å; L155-N157 PolarHBondContact O-N 2.87Å; L155-V163 HydrophobicContact CB-CB 4.37Å; L155-V163 PolarHBondContact N-O 3.19Å; L155-V163 PolarHBondContact O-N 3.38Å; L155-L165 HydrophobicContact CD1-CD1 4.33Å |
| 156 | S | 87.4 | Confident | 90.1 | Very high | 6 Ų | 6 | 36.6 Ų | 36.6 | 4% | 0.042 | 19% | 0.193 | C | C | . | . | P | Polyproline II helix | trans | -64.9 | 121 | -171.3 | -166.9 | 0 | 0 | 0 | 0 | 112 | I33 H34 Y136 | I33-S156 CarbonylContact C-O 3.44Å; I33-S156 WeakPolarHBondContact CA-O 3.41Å; H34-S156 PolarHBondContact N-O 3.45Å; Y136-S156 PolarHBondContact O-N 2.92Å |
| 157 | N | 84.6 | Confident | 90.5 | Very high | 6 Ų | 6 | 28.3 Ų | 28.3 | 3% | 0.032 | 15% | 0.149 | C | C | . | . | trans | -125.3 | 114.1 | 165.3 | -173 | -2.7 | 0 | 0 | 0 | 110.9 | P32 H34 L155 T159 G160 K161 N162 | P32-N157 PolarHBondContact O-OD1 2.98Å; H34-N157 PolarHBondContact CE1-OD1 3.48Å; H34-N157 VanDerWaalsContact CE1-OD1 3.23Å; H34-N157 PolarHBondContact ND1-OD1 3.22Å; L155-N157 PolarHBondContact O-N 2.87Å; N157-T159 PolarHBondContact ND2-OG1 3.32Å; N157-T159 PolarHBondContact O-N 3.29Å; N157-T159 VanDerWaalsContact O-N 3.07Å; N157-T159 PolarHBondContact OD1-N 2.84Å; N157-T159 VanDerWaalsContact OD1-N 3.14Å; N157-T159 PolarHBondContact OD1-OG1 3.44Å; N157-G160 PolarHBondContact O-N 3.26Å; N157-K161 WeakPolarHBondContact CB-O 3.29Å; N157-K161 PolarHBondContact ND2-O 3.37Å; N157-N162 PolarHBondContact N-OD1 3.02Å; N157-N162 PolarHBondContact O-OD1 2.99Å | ||
| 158 | N | 80.8 | Confident | 90.9 | Very high | 118 Ų | 118 | 26 Ų | 26 | 63% | 0.631 | 13% | 0.134 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69 | -8.4 | -175.1 | -60.4 | -0 | 0 | 0 | 0 | 113.3 | H34 | H34-N158 PolarHBondContact CD2-ND2 2.78Å; H34-N158 PolarHBondContact ND1-N 2.84Å |
| 159 | T | 71.9 | Confident | 91 | Very high | 92 Ų | 92 | 27.7 Ų | 27.7 | 56% | 0.564 | 14% | 0.143 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | 2.7 | 171.3 | 69.3 | 0 | 0 | 0 | 0 | 113.8 | N157 | N157-T159 PolarHBondContact ND2-OG1 3.32Å; N157-T159 PolarHBondContact O-N 3.29Å; N157-T159 VanDerWaalsContact O-N 3.07Å; N157-T159 PolarHBondContact OD1-N 2.84Å; N157-T159 VanDerWaalsContact OD1-N 3.14Å; N157-T159 PolarHBondContact OD1-OG1 3.44Å |
| 160 | G | 68.8 | Low | 91 | Very high | 20 Ų | 20 | 25.9 Ų | 25.9 | 21% | 0.206 | 14% | 0.142 | C | C | . | . | S | Bend | trans | 88.3 | -6.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | N157 N162 | N157-G160 PolarHBondContact O-N 3.26Å; G160-N162 PolarHBondContact O-N 3.05Å |
| 161 | K | 77.6 | Confident | 90.7 | Very high | 69 Ų | 69 | 25 Ų | 25 | 30% | 0.3 | 14% | 0.14 | S | C | . | . | trans | -93.6 | 75.4 | 173.8 | -64.5 | -171 | 175.2 | -174.8 | 0 | 111.8 | Y86 K87 N157 | Y86-K161 HydrophobicContact CE2-CD 4.18Å; Y86-K161 PolarHBondContact OH-NZ 3.01Å; K87-K161 VanDerWaalsContact O-CA 3.3Å; K87-K161 WeakPolarHBondContact O-CA 3.46Å; K87-K161 WeakPolarHBondContact O-CB 3.3Å; K87-K161 WeakPolarHBondContact O-CG 3.39Å; N157-K161 WeakPolarHBondContact CB-O 3.29Å; N157-K161 PolarHBondContact ND2-O 3.37Å | ||
| 162 | N | 87.1 | Confident | 90.4 | Very high | 6 Ų | 6 | 31.1 Ų | 31.1 | 3% | 0.032 | 16% | 0.163 | C | C | . | . | trans | -71.9 | 155.6 | -177.5 | -51.6 | -67.3 | 0 | 0 | 0 | 111.1 | D88 L89 Q138 N157 G160 | D88-N162 CarbonylContact C-O 3.51Å; D88-N162 WeakPolarHBondContact CA-O 3.39Å; D88-N162 WeakPolarHBondContact OD1-CB 3.2Å; D88-N162 PolarHBondContact OD1-N 2.82Å; D88-N162 PolarHBondContact OD1-ND2 3.09Å; L89-N162 PolarHBondContact N-O 2.89Å; Q138-N162 PolarHBondContact OE1-OD1 3.13Å; N157-N162 PolarHBondContact N-OD1 3.02Å; N157-N162 PolarHBondContact O-OD1 2.99Å; G160-N162 PolarHBondContact O-N 3.05Å | ||
| 163 | V | 93.6 | Very high | 89.9 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 110.5 | 172 | -179.3 | 0 | 0 | 0 | 0 | 107.7 | I31 I49 L91 L155 L165 | I31-V163 HydrophobicContact CD1-CG2 4.32Å; I31-V163 HydrophobicContact CG2-CG2 4.17Å; I49-V163 HydrophobicContact CD1-CG1 4.31Å; L91-V163 HydrophobicContact CD1-CG1 4.21Å; L155-V163 HydrophobicContact CB-CB 4.37Å; L155-V163 PolarHBondContact N-O 3.19Å; L155-V163 PolarHBondContact O-N 3.38Å; V163-L165 HydrophobicContact CG1-CD2 3.97Å |
| 164 | E | 96 | Very high | 89.5 | Confident | 24 Ų | 24 | 38.2 Ų | 38.2 | 11% | 0.112 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 109.1 | -179.6 | -56.9 | -133 | 135.1 | 0 | 0 | 109.9 | D88 L89 L91 K139 L152 S154 | D88-E164 HydrophobicContact CB-CG 4.36Å; L89-E164 PolarHBondContact O-N 3.03Å; L91-E164 PolarHBondContact N-O 3.41Å; K139-E164 IonicContact NZ-OE1 3.59Å; L152-E164 WeakPolarHBondContact CD1-OE2 3.31Å; S154-E164 WeakPolarHBondContact CB-OE1 3.48Å; S154-E164 PolarHBondContact OG-OE1 2.76Å |
| 165 | L | 97.8 | Very high | 89.3 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 106.7 | 174 | -52.1 | -179 | 0 | 0 | 0 | 108.8 | I49 L91 F93 V110 L152 I153 L155 V163 F167 | I49-L165 HydrophobicContact CG2-CD1 4.08Å; I49-L165 HydrophobicContact CG2-CD2 3.85Å; L91-L165 HydrophobicContact CB-CD2 4.18Å; L91-L165 HydrophobicContact CD1-CD2 3.82Å; F93-L165 HydrophobicContact CE2-CB 4.44Å; F93-L165 HydrophobicContact CE2-CD2 4.06Å; V110-L165 HydrophobicContact CG1-CD1 3.98Å; V110-L165 HydrophobicContact CG2-CD1 4.26Å; L152-L165 WeakPolarHBondContact CA-O 3.49Å; I153-L165 PolarHBondContact N-O 3.36Å; I153-L165 PolarHBondContact O-N 2.84Å; L155-L165 HydrophobicContact CD1-CD1 4.33Å; V163-L165 HydrophobicContact CG1-CD2 3.97Å; L165-F167 HydrophobicContact CB-CE2 3.7Å; L165-F167 HydrophobicContact CB-CZ 3.85Å; L165-F167 WeakPolarHBondContact O-CE2 3.45Å |
| 166 | K | 98 | Very high | 89.2 | Confident | 38 Ų | 38 | 42.3 Ų | 42.3 | 17% | 0.165 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 116.2 | -176.3 | -165.6 | -177.1 | -178 | 179.7 | 0 | 110.5 | L91 I92 F93 W150 S151 L152 V168 L171 | L91-K166 PolarHBondContact O-N 2.76Å; I92-K166 CarbonylContact C-O 3.58Å; I92-K166 VanDerWaalsContact CA-O 3.31Å; I92-K166 WeakPolarHBondContact CA-O 3.39Å; I92-K166 HydrophobicContact CG1-CB 4.38Å; I92-K166 HydrophobicContact CG1-CD 4.36Å; F93-K166 PolarHBondContact N-O 2.66Å; W150-K166 HydrophobicContact CE3-CG 4.31Å; S151-K166 CarbonylContact O-C 3.56Å; S151-K166 WeakPolarHBondContact O-CA 3.34Å; L152-K166 HydrophobicContact CD1-CG 4.47Å; K166-V168 HydrophobicContact CD-CG2 4.08Å; K166-V168 HydrophobicContact CG-CG2 3.85Å; K166-L171 VanDerWaalsContact NZ-CD2 3.27Å |
| 167 | F | 98.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 110.6 | -177.3 | -57.6 | -85 | 0 | 0 | 0 | 108.6 | V53 L57 F93 V95 V106 V110 W150 S151 I153 L165 | V53-F167 HydrophobicContact CG1-CE1 3.84Å; V53-F167 HydrophobicContact CG1-CZ 4.01Å; L57-F167 HydrophobicContact CD1-CD1 4.12Å; L57-F167 HydrophobicContact CD1-CE1 3.86Å; F93-F167 HydrophobicContact CB-CD1 3.74Å; F93-F167 HydrophobicContact CB-CE1 4.09Å; F93-F167 HydrophobicContact CD1-CE1 4.32Å; F93-F167 HydrophobicContact CD2-CD1 4.07Å; F93-F167 AromaticContact CD2-CE1 3.7Å; F93-F167 HydrophobicContact CD2-CE1 3.7Å; F93-F167 HydrophobicContact CD2-CZ 4.22Å; F93-F167 HydrophobicContact CE2-CE1 4.18Å; F93-F167 HydrophobicContact CE2-CZ 4.39Å; F93-F167 AromaticContact CG-CD1 3.98Å; F93-F167 HydrophobicContact CG-CD1 3.98Å; F93-F167 AromaticContact CG-CE1 3.79Å; F93-F167 HydrophobicContact CG-CE1 3.79Å; V95-F167 HydrophobicContact CG2-CB 3.77Å; V106-F167 HydrophobicContact CG1-CB 3.97Å; V106-F167 HydrophobicContact CG1-CD1 3.74Å; V106-F167 HydrophobicContact CG1-CD2 3.38Å; V106-F167 HydrophobicContact CG1-CE1 4.08Å; V106-F167 HydrophobicContact CG1-CE2 3.73Å; V106-F167 HydrophobicContact CG1-CG 3.38Å; V106-F167 HydrophobicContact CG1-CZ 4.08Å; V110-F167 HydrophobicContact CG2-CE2 4Å; V110-F167 HydrophobicContact CG2-CZ 3.58Å; W150-F167 CarbonylContact C-O 3.49Å; W150-F167 WeakPolarHBondContact CA-O 3.41Å; W150-F167 VanDerWaalsContact CB-O 3.28Å; W150-F167 WeakPolarHBondContact CB-O 3.17Å; S151-F167 PolarHBondContact N-O 2.87Å; S151-F167 PolarHBondContact O-N 3.16Å; I153-F167 HydrophobicContact CD1-CE2 4.22Å; I153-F167 HydrophobicContact CG1-CE2 4.27Å; L165-F167 HydrophobicContact CB-CE2 3.7Å; L165-F167 HydrophobicContact CB-CZ 3.85Å; L165-F167 WeakPolarHBondContact O-CE2 3.45Å |
| 168 | V | 97.6 | Very high | 90.1 | Very high | 17 Ų | 17 | 41.8 Ų | 41.8 | 10% | 0.103 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 123.9 | -168.1 | 179.9 | 0 | 0 | 0 | 0 | 110.9 | R65 I92 F93 G94 V95 W150 K166 L171 | R65-V168 PolarHBondContact NH2-O 2.81Å; I92-V168 HydrophobicContact CG2-CB 4.23Å; I92-V168 HydrophobicContact CG2-CG2 3.89Å; F93-V168 PolarHBondContact O-N 2.83Å; G94-V168 CarbonylContact C-O 3.53Å; G94-V168 WeakPolarHBondContact CA-O 3.24Å; V95-V168 PolarHBondContact N-O 3.48Å; W150-V168 HydrophobicContact CB-CB 4.44Å; W150-V168 HydrophobicContact CB-CG2 4.1Å; K166-V168 HydrophobicContact CD-CG2 4.08Å; K166-V168 HydrophobicContact CG-CG2 3.85Å; V168-L171 HydrophobicContact CG1-CB 3.64Å |
| 169 | D | 96.3 | Very high | 90.6 | Very high | 46 Ų | 46 | 36.5 Ų | 36.5 | 25% | 0.246 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | -53.4 | 165.4 | -160.8 | 17.6 | 0 | 0 | 0 | 110.7 | R65 V95 L97 R149 | R65-D169 IonicContact CZ-OD1 3.73Å; R65-D169 IonicContact NH1-OD1 2.86Å; R65-D169 PolarHBondContact NH1-OD1 3.36Å; R65-D169 IonicContact NH2-OD1 3.53Å; V95-D169 WeakPolarHBondContact O-CA 3.43Å; V95-D169 WeakPolarHBondContact O-CB 3.45Å; V95-D169 VanDerWaalsContact O-CG 3.26Å; L97-D169 HydrophobicContact CB-CB 3.79Å; L97-D169 HydrophobicContact CD1-CB 4.17Å; L97-D169 HydrophobicContact CG-CB 4.04Å; L97-D169 VanDerWaalsContact N-CG 3.28Å; L97-D169 PolarHBondContact N-OD2 3.34Å; R149-D169 HydrophobicContact CB-CB 4.2Å; R149-D169 PolarHBondContact O-N 2.66Å |
| 170 | S | 94.3 | Very high | 91.5 | Very high | 37 Ų | 37 | 33.1 Ų | 33.1 | 26% | 0.259 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 139.1 | 167.4 | 72.5 | 0 | 0 | 0 | 0 | 110.8 | T147 R149 | T147-S170 WeakPolarHBondContact O-CB 3.32Å; T147-S170 PolarHBondContact O-OG 2.83Å; R149-S170 CarbonylContact C-O 3.54Å; R149-S170 PolarHBondContact N-O 2.91Å; R149-S170 PolarHBondContact N-OG 3.42Å; R149-S170 VanDerWaalsContact N-OG 3.11Å; R149-S170 PolarHBondContact O-N 3.03Å; R149-S170 VanDerWaalsContact O-N 3.15Å |
| 171 | L | 92.5 | Very high | 92.7 | Very high | 21 Ų | 21 | 32.1 Ų | 32.1 | 11% | 0.11 | 15% | 0.148 | C | C | . | . | trans | -144.5 | 114.2 | 174.8 | 178.2 | 66.8 | 0 | 0 | 0 | 108.2 | W150 K166 V168 R173 Q174 | W150-L171 HydrophobicContact CG-CD1 4.4Å; K166-L171 VanDerWaalsContact NZ-CD2 3.27Å; V168-L171 HydrophobicContact CG1-CB 3.64Å; L171-R173 WeakPolarHBondContact CD1-O 3.39Å; L171-R173 WeakPolarHBondContact CD2-O 3.4Å; L171-R173 WeakPolarHBondContact CG-O 3.22Å; L171-Q174 HydrophobicContact CB-CG 4.42Å; L171-Q174 HydrophobicContact CD2-CG 4.08Å; L171-Q174 HydrophobicContact CG-CG 4.06Å; L171-Q174 WeakPolarHBondContact O-CG 3.33Å; L171-Q174 PolarHBondContact O-NE2 3.32Å | ||
| 172 | R | 90.3 | Very high | 93.6 | Very high | 135 Ų | 135 | 28.9 Ų | 28.9 | 51% | 0.509 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -70.9 | -53.4 | 177.9 | 178.9 | 173.9 | 169.4 | 149.4 | 9.8 | 110.5 | D148 Q174 E236 | D148-R172 WeakPolarHBondContact OD1-CB 2.99Å; D148-R172 PolarHBondContact OD1-N 2.99Å; R172-Q174 PolarHBondContact O-N 3.36Å; R172-E236 WeakPolarHBondContact CG-OE1 3.36Å; R172-E236 IonicContact CZ-OE1 2.66Å; R172-E236 VanDerWaalsContact CZ-OE1 3.28Å; R172-E236 IonicContact NE-OE1 3.34Å; R172-E236 PolarHBondContact NE-OE1 3.45Å; R172-E236 IonicContact NH2-OE1 3.4Å; R172-E236 PolarHBondContact NH2-OE1 3.32Å |
| 173 | R | 87.9 | Confident | 94.1 | Very high | 74 Ų | 74 | 29 Ų | 29 | 28% | 0.279 | 13% | 0.134 | S | C | . | . | trans | -88.7 | 99.1 | -177.7 | -57 | -170.7 | 175.8 | 77.8 | 14.6 | 111.3 | L171 E236 R238 | L171-R173 WeakPolarHBondContact CD1-O 3.39Å; L171-R173 WeakPolarHBondContact CD2-O 3.4Å; L171-R173 WeakPolarHBondContact CG-O 3.22Å; R173-E236 WeakPolarHBondContact CD-O 2.96Å; R173-E236 HydrophobicContact CG-CB 4.16Å; R173-E236 PolarHBondContact NE-O 2.84Å; R173-R238 VanDerWaalsContact NH2-CZ 3.32Å | ||
| 174 | Q | 88.7 | Confident | 94.3 | Very high | 84 Ų | 84 | 29 Ų | 29 | 39% | 0.393 | 13% | 0.134 | S | C | . | . | trans | -101.7 | -19.6 | -176.2 | -55.8 | -162.9 | 40.4 | 0 | 0 | 114.7 | L171 R172 V213 | L171-Q174 HydrophobicContact CB-CG 4.42Å; L171-Q174 HydrophobicContact CD2-CG 4.08Å; L171-Q174 HydrophobicContact CG-CG 4.06Å; L171-Q174 WeakPolarHBondContact O-CG 3.33Å; L171-Q174 PolarHBondContact O-NE2 3.32Å; R172-Q174 PolarHBondContact O-N 3.36Å; Q174-V213 HydrophobicContact CB-CB 4.07Å; Q174-V213 HydrophobicContact CB-CG1 4.32Å; Q174-V213 HydrophobicContact CB-CG2 3.79Å | ||
| 175 | F | 92.4 | Very high | 94.4 | Very high | 36 Ų | 36 | 28.8 Ų | 28.8 | 16% | 0.158 | 14% | 0.139 | C | C | . | . | trans | -146.9 | 167 | 176.9 | 69.2 | -82.7 | 0 | 0 | 0 | 110.9 | V213 Y214 | F175-V213 HydrophobicContact CB-CG2 3.87Å; F175-V213 HydrophobicContact CD1-CB 4.27Å; F175-V213 HydrophobicContact CD1-CG2 3.75Å; F175-V213 WeakPolarHBondContact CD1-O 3.37Å; F175-V213 WeakPolarHBondContact CE1-O 3.16Å; F175-V213 HydrophobicContact CG-CG2 4.19Å; F175-Y214 HydrophobicContact CD2-CD2 4.43Å; F175-Y214 AromaticContact CE2-CD2 3.78Å; F175-Y214 HydrophobicContact CE2-CD2 3.78Å; F175-Y214 HydrophobicContact CZ-CD2 4.15Å | ||
| 176 | E | 92.4 | Very high | 94.4 | Very high | 58 Ų | 58 | 28.9 Ų | 28.9 | 27% | 0.271 | 14% | 0.139 | S | C | . | . | S | Bend | trans | -111.3 | -45.8 | 169.1 | -67.3 | 177.5 | -174.7 | 0 | 0 | 111.1 | D180 T231 K244 | E176-D180 PolarHBondContact N-OD2 2.88Å; E176-T231 WeakPolarHBondContact O-CB 3.34Å; E176-T231 PolarHBondContact O-OG1 3.18Å; E176-K244 HydrophobicContact CB-CD 4.25Å; E176-K244 WeakPolarHBondContact OE2-CD 3.5Å; E176-K244 IonicContact OE2-NZ 3.73Å |
| 177 | F | 94.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -127.7 | 165.7 | 172.7 | -54 | -81.5 | 0 | 0 | 0 | 110.7 | V179 D180 S181 I229 A230 I237 K244 Y245 L248 L264 M268 | F177-V179 VanDerWaalsContact C-N 3.26Å; F177-V179 HydrophobicContact CB-CG2 4.18Å; F177-V179 PolarHBondContact O-N 3.26Å; F177-D180 WeakPolarHBondContact CA-OD1 3.49Å; F177-D180 WeakPolarHBondContact CB-OD1 3.46Å; F177-D180 PolarHBondContact N-OD1 3.31Å; F177-D180 VanDerWaalsContact O-CG 3.31Å; F177-D180 PolarHBondContact O-N 2.9Å; F177-D180 VanDerWaalsContact O-OD1 3.05Å; F177-S181 PolarHBondContact O-N 3.06Å; F177-I229 HydrophobicContact CD1-CG2 3.47Å; F177-I229 VanDerWaalsContact CD1-CG2 3.47Å; F177-I229 HydrophobicContact CE1-CG2 3.67Å; F177-I229 HydrophobicContact CG-CG2 4.13Å; F177-I229 HydrophobicContact CZ-CG2 4.46Å; F177-A230 WeakPolarHBondContact CA-O 3.4Å; F177-I237 HydrophobicContact CE1-CD1 4.23Å; F177-I237 HydrophobicContact CZ-CD1 4.28Å; F177-K244 HydrophobicContact CD2-CD 4.06Å; F177-K244 HydrophobicContact CD2-CG 4.35Å; F177-K244 HydrophobicContact CE2-CB 4.27Å; F177-K244 HydrophobicContact CE2-CD 4.15Å; F177-K244 HydrophobicContact CE2-CG 4.19Å; F177-Y245 HydrophobicContact CE1-CD2 4.47Å; F177-Y245 HydrophobicContact CZ-CD2 4.34Å; F177-L248 HydrophobicContact CD2-CD1 3.79Å; F177-L248 HydrophobicContact CE2-CD1 4.23Å; F177-L248 HydrophobicContact CG-CD1 4.17Å; F177-L264 HydrophobicContact CE1-CD2 4.37Å; F177-M268 HydrophobicContact CZ-SD 4.08Å |
| 178 | S | 95 | Very high | 94.2 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -59 | -35.4 | 178.3 | 48 | 0 | 0 | 0 | 0 | 113.4 | D180 S181 H223 A230 | S178-D180 PolarHBondContact O-N 2.96Å; S178-S181 WeakPolarHBondContact O-CB 3.4Å; S178-S181 PolarHBondContact O-N 2.91Å; S178-S181 VanDerWaalsContact O-N 3.16Å; S178-S181 PolarHBondContact O-OG 3.06Å; S178-H223 PolarHBondContact OG-ND1 3.33Å; S178-A230 PolarHBondContact N-O 3.46Å; S178-A230 PolarHBondContact OG-O 2.81Å |
| 179 | V | 92.5 | Very high | 94.1 | Very high | 7 Ų | 7 | 31 Ų | 31 | 4% | 0.042 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -68.7 | -17.4 | -176.4 | -60.4 | 0 | 0 | 0 | 0 | 114.4 | S75 F177 H223 L224 I228 L248 F253 | S75-V179 PolarHBondContact OG-O 3.16Å; F177-V179 VanDerWaalsContact C-N 3.26Å; F177-V179 HydrophobicContact CB-CG2 4.18Å; F177-V179 PolarHBondContact O-N 3.26Å; V179-H223 HydrophobicContact CG1-CB 4.35Å; V179-L224 HydrophobicContact CB-CD1 4.04Å; V179-L224 HydrophobicContact CG1-CD1 4.34Å; V179-I228 WeakPolarHBondContact CG1-O 3.34Å; V179-L248 HydrophobicContact CG2-CD1 4.1Å; V179-L248 HydrophobicContact CG2-CD2 4.01Å; V179-F253 HydrophobicContact CB-CE1 4.38Å; V179-F253 HydrophobicContact CG1-CD1 4.3Å; V179-F253 HydrophobicContact CG1-CE1 3.9Å |
| 180 | D | 89.8 | Confident | 93.9 | Very high | 21 Ų | 21 | 29.2 Ų | 29.2 | 11% | 0.112 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -113 | 11.7 | 175.7 | 61.2 | -86.6 | 0 | 0 | 0 | 113.5 | E176 F177 S178 F182 K244 | E176-D180 PolarHBondContact N-OD2 2.88Å; F177-D180 WeakPolarHBondContact CA-OD1 3.49Å; F177-D180 WeakPolarHBondContact CB-OD1 3.46Å; F177-D180 PolarHBondContact N-OD1 3.31Å; F177-D180 VanDerWaalsContact O-CG 3.31Å; F177-D180 PolarHBondContact O-N 2.9Å; F177-D180 VanDerWaalsContact O-OD1 3.05Å; S178-D180 PolarHBondContact O-N 2.96Å; D180-F182 VanDerWaalsContact C-N 3.34Å; D180-F182 PolarHBondContact O-N 3.22Å; D180-K244 WeakPolarHBondContact OD1-CE 3.46Å; D180-K244 IonicContact OD1-NZ 3.93Å; D180-K244 PolarHBondContact OD1-NZ 2.86Å; D180-K244 IonicContact OD2-NZ 3.97Å; D180-K244 PolarHBondContact OD2-NZ 3.3Å |
| 181 | S | 94.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | trans | -87.6 | 6.4 | -173.7 | 73.2 | 0 | 0 | 0 | 0 | 115.2 | F177 S178 S212 V213 Y214 | F177-S181 PolarHBondContact O-N 3.06Å; S178-S181 WeakPolarHBondContact O-CB 3.4Å; S178-S181 PolarHBondContact O-N 2.91Å; S178-S181 VanDerWaalsContact O-N 3.16Å; S178-S181 PolarHBondContact O-OG 3.06Å; S181-S212 WeakPolarHBondContact O-CA 3.38Å; S181-S212 PolarHBondContact OG-OG 3.12Å; S181-V213 VanDerWaalsContact O-CG2 3.25Å; S181-V213 WeakPolarHBondContact O-CG2 3.41Å; S181-V213 PolarHBondContact O-N 2.91Å; S181-Y214 WeakPolarHBondContact OG-CB 3.35Å | ||
| 182 | F | 96.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 130.8 | -171.4 | -58.4 | -74.5 | 0 | 0 | 0 | 112.5 | N70 A74 L78 D180 E211 F217 A220 I221 L224 | N70-F182 PolarHBondContact OD1-O 2.87Å; A74-F182 HydrophobicContact CB-CB 3.93Å; A74-F182 WeakPolarHBondContact CB-O 3.3Å; L78-F182 HydrophobicContact CD1-CB 3.64Å; L78-F182 HydrophobicContact CD1-CD1 3.38Å; L78-F182 HydrophobicContact CD1-CD2 4.08Å; L78-F182 HydrophobicContact CD1-CE1 3.98Å; L78-F182 HydrophobicContact CD1-CG 3.42Å; L78-F182 VanDerWaalsContact CD1-CG 3.42Å; D180-F182 VanDerWaalsContact C-N 3.34Å; D180-F182 PolarHBondContact O-N 3.22Å; F182-E211 WeakPolarHBondContact CA-O 2.94Å; F182-F217 HydrophobicContact CD1-CD2 4.36Å; F182-F217 AromaticContact CD1-CE2 3.88Å; F182-F217 HydrophobicContact CD1-CE2 3.88Å; F182-F217 HydrophobicContact CD1-CZ 4.15Å; F182-F217 HydrophobicContact CE1-CD2 4.49Å; F182-F217 HydrophobicContact CE1-CE2 4.26Å; F182-F217 HydrophobicContact CE1-CZ 4.3Å; F182-A220 HydrophobicContact CE1-CB 3.77Å; F182-A220 HydrophobicContact CZ-CB 3.61Å; F182-I221 HydrophobicContact CE1-CD1 3.73Å; F182-I221 HydrophobicContact CE1-CG1 3.94Å; F182-I221 HydrophobicContact CZ-CD1 3.75Å; F182-I221 HydrophobicContact CZ-CG1 4.11Å; F182-L224 HydrophobicContact CE2-CB 4.43Å; F182-L224 HydrophobicContact CE2-CD2 3.96Å |
| 183 | Q | 97.4 | Very high | 93.6 | Very high | 9 Ų | 9 | 27.8 Ų | 27.8 | 4% | 0.042 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 130.1 | 170.4 | -65.7 | 178.8 | 16.2 | 0 | 0 | 109.2 | R68 L69 N70 G210 E211 | R68-Q183 HydrophobicContact CB-CB 4.44Å; L69-Q183 CarbonylContact O-C 3.54Å; L69-Q183 VanDerWaalsContact O-CA 3.29Å; L69-Q183 WeakPolarHBondContact O-CA 3.44Å; N70-Q183 HydrophobicContact CB-CG 4.38Å; N70-Q183 VanDerWaalsContact OD1-CG 3.31Å; N70-Q183 WeakPolarHBondContact OD1-CG 3.34Å; Q183-G210 CarbonylContact O-C 3.16Å; Q183-G210 WeakPolarHBondContact O-CA 3.4Å; Q183-E211 PolarHBondContact N-O 2.95Å; Q183-E211 PolarHBondContact O-N 2.88Å |
| 184 | I | 98.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 119.2 | -176.9 | -55 | 171 | 0 | 0 | 0 | 108.9 | L15 L23 R68 L69 A74 V77 L78 L186 V208 | L15-I184 HydrophobicContact CD1-CG2 4.36Å; L15-I184 HydrophobicContact CD2-CD1 4.28Å; L15-I184 HydrophobicContact CD2-CG2 3.71Å; L23-I184 HydrophobicContact CD1-CG2 4.35Å; L23-I184 HydrophobicContact CD2-CG2 3.74Å; R68-I184 CarbonylContact C-O 3.6Å; R68-I184 VanDerWaalsContact CA-O 3.24Å; R68-I184 WeakPolarHBondContact CA-O 3.43Å; L69-I184 PolarHBondContact N-O 2.72Å; L69-I184 PolarHBondContact O-N 3.32Å; A74-I184 HydrophobicContact CB-CD1 3.91Å; A74-I184 HydrophobicContact CB-CG1 4.08Å; V77-I184 HydrophobicContact CB-CD1 3.7Å; V77-I184 HydrophobicContact CG1-CD1 3.62Å; V77-I184 HydrophobicContact CG2-CD1 4.28Å; L78-I184 HydrophobicContact CD1-CD1 4.43Å; L78-I184 HydrophobicContact CD2-CD1 4.37Å; L78-I184 HydrophobicContact CG-CD1 4.13Å; I184-L186 PolarHBondContact O-N 3.25Å; I184-V208 HydrophobicContact CG2-CG1 3.66Å |
| 185 | G | 97.9 | Very high | 93.4 | Very high | 21 Ų | 21 | 31.1 Ų | 31.1 | 22% | 0.216 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 127.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V208 I209 | G185-V208 WeakPolarHBondContact O-CG1 3.12Å; G185-I209 PolarHBondContact N-O 2.86Å |
| 186 | L | 97.8 | Very high | 93.2 | Very high | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | trans | -94.4 | -18.2 | -176.8 | -58.7 | -176.5 | 0 | 0 | 0 | 113 | L23 I27 V67 L69 L91 I184 S188 L189 L190 | L23-L186 HydrophobicContact CD1-CD2 3.89Å; L23-L186 HydrophobicContact CD2-CD2 4.21Å; L23-L186 HydrophobicContact CG-CD2 4.38Å; I27-L186 HydrophobicContact CG2-CD2 4.43Å; V67-L186 HydrophobicContact CG1-CD1 4.29Å; V67-L186 PolarHBondContact O-N 3.16Å; L69-L186 HydrophobicContact CB-CD1 4.46Å; L69-L186 HydrophobicContact CB-CD2 4.08Å; L69-L186 HydrophobicContact CB-CG 4.5Å; L91-L186 HydrophobicContact CD2-CD1 3.93Å; I184-L186 PolarHBondContact O-N 3.25Å; L186-S188 PolarHBondContact O-N 3.35Å; L186-L189 WeakPolarHBondContact O-CB 3.42Å; L186-L189 PolarHBondContact O-N 3.07Å; L186-L190 HydrophobicContact CB-CD1 3.79Å; L186-L190 HydrophobicContact CB-CG 4.21Å; L186-L190 VanDerWaalsContact O-CG 3.3Å; L186-L190 WeakPolarHBondContact O-CG 3.46Å; L186-L190 PolarHBondContact O-N 3.46Å | ||
| 187 | D | 96.3 | Very high | 92.7 | Very high | 46 Ų | 46 | 37.8 Ų | 37.8 | 25% | 0.246 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -55.6 | -46.4 | -169.2 | -62.8 | -40.2 | 0 | 0 | 0 | 113.9 | R54 D66 V67 L189 L190 L191 | R54-D187 IonicContact CZ-OD1 3.41Å; R54-D187 IonicContact NH1-OD1 3.16Å; R54-D187 PolarHBondContact NH1-OD1 3.26Å; R54-D187 IonicContact NH2-OD1 3.97Å; D66-D187 VanDerWaalsContact CA-OD2 3.3Å; D66-D187 WeakPolarHBondContact CA-OD2 3.36Å; D66-D187 WeakPolarHBondContact CB-OD2 3.38Å; V67-D187 PolarHBondContact N-OD1 2.68Å; V67-D187 PolarHBondContact N-OD2 3.02Å; D187-L189 VanDerWaalsContact C-N 3.31Å; D187-L189 PolarHBondContact O-N 3.47Å; D187-L190 PolarHBondContact O-N 3.23Å; D187-L191 VanDerWaalsContact O-CB 3.3Å; D187-L191 WeakPolarHBondContact O-CB 3.49Å; D187-L191 PolarHBondContact O-N 3.37Å |
| 188 | S | 95.4 | Very high | 92.3 | Very high | 54 Ų | 54 | 42.2 Ų | 42.2 | 38% | 0.378 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.3 | -36.7 | 178.1 | -53 | 0 | 0 | 0 | 0 | 112.9 | L186 F192 P206 T207 | L186-S188 PolarHBondContact O-N 3.35Å; S188-F192 WeakPolarHBondContact O-CB 3.41Å; S188-F192 PolarHBondContact O-N 3.47Å; S188-F192 VanDerWaalsContact O-N 3.1Å; S188-P206 WeakPolarHBondContact O-CB 3.39Å; S188-T207 WeakPolarHBondContact CB-O 3.43Å; S188-T207 PolarHBondContact OG-O 3.42Å |
| 189 | L | 94.8 | Very high | 92 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -72 | -44.3 | 179.2 | -177.9 | 57.5 | 0 | 0 | 0 | 110.7 | L23 N24 I27 L186 D187 D193 M200 P206 V208 | L23-L189 HydrophobicContact CD2-CD2 3.66Å; L23-L189 HydrophobicContact CG-CD2 3.77Å; N24-L189 HydrophobicContact CB-CD2 4.49Å; I27-L189 HydrophobicContact CD1-CD2 3.46Å; I27-L189 VanDerWaalsContact CD1-CD2 3.46Å; I27-L189 HydrophobicContact CD1-CG 3.89Å; I27-L189 HydrophobicContact CG1-CD2 4.27Å; L186-L189 WeakPolarHBondContact O-CB 3.42Å; L186-L189 PolarHBondContact O-N 3.07Å; D187-L189 VanDerWaalsContact C-N 3.31Å; D187-L189 PolarHBondContact O-N 3.47Å; L189-D193 WeakPolarHBondContact O-CB 3.5Å; L189-D193 PolarHBondContact O-N 2.67Å; L189-D193 VanDerWaalsContact O-N 3.12Å; L189-M200 HydrophobicContact CD1-CE 3.72Å; L189-M200 HydrophobicContact CD1-SD 3.74Å; L189-P206 HydrophobicContact CB-CG 4.47Å; L189-P206 HydrophobicContact CD1-CG 3.84Å; L189-V208 HydrophobicContact CB-CG2 4.32Å |
| 190 | L | 92.5 | Very high | 92 | Very high | 9 Ų | 9 | 47.5 Ų | 47.5 | 5% | 0.047 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.4 | -37.7 | 175.2 | -64.6 | 168.2 | 0 | 0 | 0 | 112 | R47 V50 Q51 L186 D187 D193 H194 | R47-L190 HydrophobicContact CG-CD2 4.01Å; V50-L190 HydrophobicContact CB-CD1 4.48Å; V50-L190 HydrophobicContact CG1-CD1 3.5Å; Q51-L190 HydrophobicContact CG-CD2 4.16Å; L186-L190 HydrophobicContact CB-CD1 3.79Å; L186-L190 HydrophobicContact CB-CG 4.21Å; L186-L190 VanDerWaalsContact O-CG 3.3Å; L186-L190 WeakPolarHBondContact O-CG 3.46Å; L186-L190 PolarHBondContact O-N 3.46Å; D187-L190 PolarHBondContact O-N 3.23Å; L190-D193 WeakPolarHBondContact O-CB 3.21Å; L190-D193 PolarHBondContact O-N 3.19Å; L190-H194 PolarHBondContact O-N 3.34Å; L190-H194 PolarHBondContact O-ND1 3.21Å |
| 191 | L | 92.6 | Very high | 92.2 | Very high | 112 Ų | 112 | 48.5 Ų | 48.5 | 59% | 0.586 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -67.7 | -48 | 177.5 | -179.5 | 63.5 | 0 | 0 | 0 | 111.6 | D187 D193 H194 C195 | D187-L191 VanDerWaalsContact O-CB 3.3Å; D187-L191 WeakPolarHBondContact O-CB 3.49Å; D187-L191 PolarHBondContact O-N 3.37Å; L191-D193 PolarHBondContact O-N 3.35Å; L191-H194 PolarHBondContact O-N 2.96Å; L191-C195 PolarHBondContact O-N 2.81Å; L191-C195 VanDerWaalsContact O-N 3.08Å |
| 192 | F | 92.4 | Very high | 92.2 | Very high | 27 Ų | 27 | 55.4 Ų | 55.4 | 12% | 0.118 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -51.5 | -44 | 173.6 | 179.1 | -81.1 | 0 | 0 | 0 | 111 | S188 H194 C195 S196 M200 F204 P206 | S188-F192 WeakPolarHBondContact O-CB 3.41Å; S188-F192 PolarHBondContact O-N 3.47Å; S188-F192 VanDerWaalsContact O-N 3.1Å; F192-H194 PolarHBondContact O-N 3.36Å; F192-C195 PolarHBondContact O-N 2.98Å; F192-C195 VanDerWaalsContact O-N 3.16Å; F192-S196 VanDerWaalsContact O-CB 3.32Å; F192-S196 WeakPolarHBondContact O-CB 3.39Å; F192-S196 PolarHBondContact O-N 3.41Å; F192-M200 HydrophobicContact CD1-CG 3.88Å; F192-M200 HydrophobicContact CD1-SD 4.21Å; F192-M200 HydrophobicContact CE1-CG 3.26Å; F192-M200 HydrophobicContact CE1-SD 4.18Å; F192-M200 HydrophobicContact CE2-CG 4.34Å; F192-M200 HydrophobicContact CZ-CG 3.52Å; F192-F204 AromaticContact CE2-CD1 3.96Å; F192-F204 HydrophobicContact CE2-CD1 3.96Å; F192-F204 AromaticContact CE2-CE1 3.48Å; F192-F204 HydrophobicContact CE2-CE1 3.48Å; F192-F204 VanDerWaalsContact CE2-CE1 3.48Å; F192-F204 HydrophobicContact CE2-CE2 4.29Å; F192-F204 AromaticContact CE2-CZ 3.67Å; F192-F204 HydrophobicContact CE2-CZ 3.67Å; F192-F204 AromaticContact CZ-CD1 3.77Å; F192-F204 HydrophobicContact CZ-CD1 3.77Å; F192-F204 AromaticContact CZ-CE1 3.41Å; F192-F204 HydrophobicContact CZ-CE1 3.41Å; F192-F204 VanDerWaalsContact CZ-CE1 3.41Å; F192-F204 HydrophobicContact CZ-CZ 4.07Å; F192-P206 HydrophobicContact CB-CB 3.99Å; F192-P206 HydrophobicContact CB-CG 3.86Å; F192-P206 HydrophobicContact CD2-CB 4.33Å; F192-P206 HydrophobicContact CD2-CG 4.28Å; F192-P206 HydrophobicContact CG-CB 4.39Å; F192-P206 HydrophobicContact CG-CG 4.05Å |
| 193 | D | 85.4 | Confident | 92.1 | Very high | 24 Ų | 24 | 61.1 Ų | 61.1 | 13% | 0.128 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66.7 | -13.3 | 179.6 | -97.8 | -30.8 | 0 | 0 | 0 | 116 | R47 L189 L190 L191 | R47-D193 WeakPolarHBondContact CD-OD2 3.48Å; R47-D193 VanDerWaalsContact CZ-CB 3.47Å; R47-D193 IonicContact CZ-OD1 3.28Å; R47-D193 VanDerWaalsContact CZ-OD1 3.32Å; R47-D193 IonicContact CZ-OD2 3.32Å; R47-D193 IonicContact NE-OD2 2.76Å; R47-D193 PolarHBondContact NE-OD2 3.06Å; R47-D193 IonicContact NH1-OD1 2.68Å; R47-D193 PolarHBondContact NH1-OD1 3.29Å; R47-D193 IonicContact NH1-OD2 2.66Å; R47-D193 PolarHBondContact NH1-OD2 3.15Å; R47-D193 PolarHBondContact NH2-O 3.04Å; R47-D193 IonicContact NH2-OD1 2.96Å; R47-D193 IonicContact NH2-OD2 3.52Å; L189-D193 WeakPolarHBondContact O-CB 3.5Å; L189-D193 PolarHBondContact O-N 2.67Å; L189-D193 VanDerWaalsContact O-N 3.12Å; L190-D193 WeakPolarHBondContact O-CB 3.21Å; L190-D193 PolarHBondContact O-N 3.19Å; L191-D193 PolarHBondContact O-N 3.35Å |
| 194 | H | 85.6 | Confident | 91.9 | Very high | 127 Ų | 127 | 65.2 Ų | 65.2 | 59% | 0.588 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -99.7 | -27.8 | 169.6 | -66.8 | 97.9 | 0 | 0 | 0 | 112.7 | Q51 L190 L191 F192 | Q51-H194 PolarHBondContact NE2-CE1 3.48Å; Q51-H194 PolarHBondContact NE2-NE2 2.91Å; L190-H194 PolarHBondContact O-N 3.34Å; L190-H194 PolarHBondContact O-ND1 3.21Å; L191-H194 PolarHBondContact O-N 2.96Å; F192-H194 PolarHBondContact O-N 3.36Å |
| 195 | C | 88.4 | Confident | 91.8 | Very high | 101 Ų | 101 | 68 Ų | 68 | 68% | 0.682 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -99.9 | -18 | -172.3 | -62.7 | 0 | 0 | 0 | 0 | 114.4 | L191 F192 | L191-C195 PolarHBondContact O-N 2.81Å; L191-C195 VanDerWaalsContact O-N 3.08Å; F192-C195 PolarHBondContact O-N 2.98Å; F192-C195 VanDerWaalsContact O-N 3.16Å |
| 196 | S | 86.8 | Confident | 91.7 | Very high | 29 Ų | 29 | 67.7 Ų | 67.7 | 20% | 0.203 | 38% | 0.379 | C | S | . | . | trans | -112.2 | 121.9 | -177.7 | -177.5 | 0 | 0 | 0 | 0 | 112.2 | F192 T198 | F192-S196 VanDerWaalsContact O-CB 3.32Å; F192-S196 WeakPolarHBondContact O-CB 3.39Å; F192-S196 PolarHBondContact O-N 3.41Å; S196-T198 VanDerWaalsContact C-N 3.29Å; S196-T198 PolarHBondContact OG-N 3.14Å; S196-T198 VanDerWaalsContact OG-N 3.08Å; S196-T198 PolarHBondContact OG-O 3.01Å | ||
| 197 | E | 82.1 | Confident | 91.6 | Very high | 205 Ų | 205 | 71.8 Ų | 71.8 | 96% | 0.958 | 41% | 0.405 | S | S | * | . | trans | -77 | -18.6 | 164.5 | -61 | -178.7 | 175.8 | 0 | 0 | 112.1 | ||||
| 198 | T | 86.8 | Confident | 91.7 | Very high | 92 Ų | 92 | 69.6 Ų | 69.6 | 56% | 0.564 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -84.1 | 131.7 | -178.7 | -58.4 | 0 | 0 | 0 | 0 | 110.6 | S196 F204 | S196-T198 VanDerWaalsContact C-N 3.29Å; S196-T198 PolarHBondContact OG-N 3.14Å; S196-T198 VanDerWaalsContact OG-N 3.08Å; S196-T198 PolarHBondContact OG-O 3.01Å; T198-F204 HydrophobicContact CG2-CD1 4.14Å; T198-F204 HydrophobicContact CG2-CE1 4.2Å |
| 199 | A | 88 | Confident | 91.8 | Very high | 84 Ų | 84 | 71.1 Ų | 71.1 | 69% | 0.694 | 40% | 0.396 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 143.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 200 | M | 93.2 | Very high | 92 | Very high | 34 Ų | 34 | 71.1 Ų | 71.1 | 17% | 0.167 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 142.5 | 179.4 | -72.5 | 178.3 | -79.7 | 0 | 0 | 112.8 | W17 V20 N24 L189 F192 F204 H205 P206 | W17-M200 HydrophobicContact CH2-CB 3.94Å; W17-M200 HydrophobicContact CZ3-CB 4.01Å; V20-M200 HydrophobicContact CG1-SD 4.48Å; N24-M200 HydrophobicContact CB-CE 3.87Å; N24-M200 WeakPolarHBondContact ND2-CE 3.3Å; N24-M200 VanDerWaalsContact OD1-CE 3.23Å; N24-M200 WeakPolarHBondContact OD1-CE 3.33Å; L189-M200 HydrophobicContact CD1-CE 3.72Å; L189-M200 HydrophobicContact CD1-SD 3.74Å; F192-M200 HydrophobicContact CD1-CG 3.88Å; F192-M200 HydrophobicContact CD1-SD 4.21Å; F192-M200 HydrophobicContact CE1-CG 3.26Å; F192-M200 HydrophobicContact CE1-SD 4.18Å; F192-M200 HydrophobicContact CE2-CG 4.34Å; F192-M200 HydrophobicContact CZ-CG 3.52Å; M200-F204 VanDerWaalsContact CA-O 3.31Å; M200-F204 WeakPolarHBondContact CA-O 3.35Å; M200-H205 HydrophobicContact CB-CB 4.45Å; M200-H205 HydrophobicContact CG-CB 4.37Å; M200-H205 HydrophobicContact SD-CB 4.36Å; M200-P206 WeakPolarHBondContact SD-CD 3.38Å; M200-P206 HydrophobicContact SD-CG 4.11Å |
| 201 | S | 94.2 | Very high | 92.2 | Very high | 42 Ų | 42 | 71.5 Ų | 71.5 | 29% | 0.294 | 40% | 0.397 | S | S | . | . | B | Isolated β-bridge | trans | -133.6 | 171.6 | 171.5 | 72.1 | 0 | 0 | 0 | 0 | 110.3 | S203 F204 H205 | S201-S203 PolarHBondContact O-N 3.42Å; S201-S203 PolarHBondContact OG-N 3.15Å; S201-S203 PolarHBondContact OG-OG 2.65Å; S201-F204 PolarHBondContact N-O 3.33Å; S201-F204 CarbonylContact O-C 3.58Å; S201-F204 PolarHBondContact O-N 2.89Å; S201-F204 PolarHBondContact OG-N 3.47Å; S201-F204 VanDerWaalsContact OG-N 3.15Å; S201-H205 PolarHBondContact O-CD2 2.82Å |
| 202 | E | 94.3 | Very high | 92.4 | Very high | 146 Ų | 146 | 66.2 Ų | 66.2 | 68% | 0.682 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -31.5 | 175.2 | -172.7 | 166.8 | -171.4 | 0 | 0 | 113.3 | W17 H205 | W17-E202 HydrophobicContact CB-CG 4.27Å; W17-E202 HydrophobicContact CD2-CB 4.24Å; W17-E202 HydrophobicContact CG-CB 3.99Å; W17-E202 HydrophobicContact CG-CG 3.9Å; E202-H205 PolarHBondContact O-CD2 2.85Å |
| 203 | S | 94 | Very high | 92.5 | Very high | 119 Ų | 119 | 66.2 Ų | 66.2 | 83% | 0.832 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -7.8 | 175.9 | 55.5 | 0 | 0 | 0 | 0 | 114 | S201 | S201-S203 PolarHBondContact O-N 3.42Å; S201-S203 PolarHBondContact OG-N 3.15Å; S201-S203 PolarHBondContact OG-OG 2.65Å |
| 204 | F | 93.7 | Very high | 93 | Very high | 96 Ų | 96 | 66 Ų | 66 | 42% | 0.421 | 37% | 0.369 | S | S | . | . | B | Isolated β-bridge | trans | -147.4 | 84.8 | -176 | -172.3 | -114.1 | 0 | 0 | 0 | 111.1 | F192 T198 M200 S201 | F192-F204 AromaticContact CE2-CD1 3.96Å; F192-F204 HydrophobicContact CE2-CD1 3.96Å; F192-F204 AromaticContact CE2-CE1 3.48Å; F192-F204 HydrophobicContact CE2-CE1 3.48Å; F192-F204 VanDerWaalsContact CE2-CE1 3.48Å; F192-F204 HydrophobicContact CE2-CE2 4.29Å; F192-F204 AromaticContact CE2-CZ 3.67Å; F192-F204 HydrophobicContact CE2-CZ 3.67Å; F192-F204 AromaticContact CZ-CD1 3.77Å; F192-F204 HydrophobicContact CZ-CD1 3.77Å; F192-F204 AromaticContact CZ-CE1 3.41Å; F192-F204 HydrophobicContact CZ-CE1 3.41Å; F192-F204 VanDerWaalsContact CZ-CE1 3.41Å; F192-F204 HydrophobicContact CZ-CZ 4.07Å; T198-F204 HydrophobicContact CG2-CD1 4.14Å; T198-F204 HydrophobicContact CG2-CE1 4.2Å; M200-F204 VanDerWaalsContact CA-O 3.31Å; M200-F204 WeakPolarHBondContact CA-O 3.35Å; S201-F204 PolarHBondContact N-O 3.33Å; S201-F204 CarbonylContact O-C 3.58Å; S201-F204 PolarHBondContact O-N 2.89Å; S201-F204 PolarHBondContact OG-N 3.47Å; S201-F204 VanDerWaalsContact OG-N 3.15Å |
| 205 | H | 95.1 | Very high | 93.3 | Very high | 58 Ų | 58 | 61.3 Ų | 61.3 | 27% | 0.269 | 36% | 0.355 | S | S | . | . | trans | -143.1 | 155.8 | 175.6 | 67.1 | 75.1 | 0 | 0 | 0 | 110.5 | W17 V20 M200 S201 E202 | W17-H205 HydrophobicContact CE3-CB 3.81Å; W17-H205 AromaticContact CE3-CD2 3.4Å; W17-H205 AromaticContact CE3-CG 3.71Å; W17-H205 HydrophobicContact CZ3-CB 3.65Å; V20-H205 HydrophobicContact CG1-CB 4.42Å; M200-H205 HydrophobicContact CB-CB 4.45Å; M200-H205 HydrophobicContact CG-CB 4.37Å; M200-H205 HydrophobicContact SD-CB 4.36Å; S201-H205 PolarHBondContact O-CD2 2.82Å; E202-H205 PolarHBondContact O-CD2 2.85Å | ||
| 206 | P | 96.3 | Very high | 93.7 | Very high | 15 Ų | 15 | 57.8 Ų | 57.8 | 10% | 0.097 | 33% | 0.33 | C | S | . | . | trans | -67 | 152.6 | 174 | 26.7 | -30.7 | 0 | 0 | 0 | 111.2 | S188 L189 F192 M200 V208 | S188-P206 WeakPolarHBondContact O-CB 3.39Å; L189-P206 HydrophobicContact CB-CG 4.47Å; L189-P206 HydrophobicContact CD1-CG 3.84Å; F192-P206 HydrophobicContact CB-CB 3.99Å; F192-P206 HydrophobicContact CB-CG 3.86Å; F192-P206 HydrophobicContact CD2-CB 4.33Å; F192-P206 HydrophobicContact CD2-CG 4.28Å; F192-P206 HydrophobicContact CG-CB 4.39Å; F192-P206 HydrophobicContact CG-CG 4.05Å; M200-P206 WeakPolarHBondContact SD-CD 3.38Å; M200-P206 HydrophobicContact SD-CG 4.11Å; P206-V208 HydrophobicContact CG-CG2 4.43Å; P206-V208 PolarHBondContact O-N 2.84Å | ||
| 207 | T | 96.9 | Very high | 94.1 | Very high | 88 Ų | 88 | 56.7 Ų | 56.7 | 54% | 0.54 | 32% | 0.321 | S | S | . | . | trans | -75.8 | 118.8 | 166.2 | -52.7 | 0 | 0 | 0 | 0 | 108.8 | V14 S188 | V14-T207 HydrophobicContact CG1-CG2 3.73Å; V14-T207 HydrophobicContact CG2-CG2 4.3Å; S188-T207 WeakPolarHBondContact CB-O 3.43Å; S188-T207 PolarHBondContact OG-O 3.42Å | ||
| 208 | V | 97.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | trans | -111.5 | 134.5 | 178.7 | -179.7 | 0 | 0 | 0 | 0 | 109.1 | L15 V20 L23 I184 G185 L189 P206 | L15-V208 HydrophobicContact CB-CB 4.33Å; L15-V208 HydrophobicContact CD1-CG1 4.49Å; L15-V208 HydrophobicContact CD2-CB 4.46Å; L15-V208 HydrophobicContact CD2-CG1 3.95Å; L15-V208 PolarHBondContact N-O 3.29Å; V20-V208 HydrophobicContact CG1-CG2 4.23Å; V20-V208 HydrophobicContact CG2-CB 4.02Å; V20-V208 HydrophobicContact CG2-CG2 3.93Å; L23-V208 HydrophobicContact CD2-CG1 3.78Å; I184-V208 HydrophobicContact CG2-CG1 3.66Å; G185-V208 WeakPolarHBondContact O-CG1 3.12Å; L189-V208 HydrophobicContact CB-CG2 4.32Å; P206-V208 HydrophobicContact CG-CG2 4.43Å; P206-V208 PolarHBondContact O-N 2.84Å | ||
| 209 | I | 97.8 | Very high | 95.2 | Very high | 85 Ų | 85 | 48.9 Ų | 48.9 | 44% | 0.436 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 128.8 | -178 | -58.2 | 176 | 0 | 0 | 0 | 109.3 | F12 G185 | F12-I209 HydrophobicContact CB-CG2 4.23Å; F12-I209 HydrophobicContact CD1-CG2 3.87Å; F12-I209 HydrophobicContact CG-CG2 4.39Å; G185-I209 PolarHBondContact N-O 2.86Å |
| 210 | G | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 144.8 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | F12 C13 L15 Q183 | F12-G210 VanDerWaalsContact CA-O 3.3Å; F12-G210 WeakPolarHBondContact CA-O 3.16Å; C13-G210 PolarHBondContact N-O 2.6Å; C13-G210 PolarHBondContact O-N 2.72Å; L15-G210 VanDerWaalsContact CD1-N 3.28Å; Q183-G210 CarbonylContact O-C 3.16Å; Q183-G210 WeakPolarHBondContact O-CA 3.4Å |
| 211 | E | 97.2 | Very high | 95.6 | Very high | 18 Ų | 18 | 44.6 Ų | 44.6 | 8% | 0.084 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 141.1 | 169.6 | -175.6 | 168.6 | -175.6 | 0 | 0 | 109.6 | R11 F12 R68 F182 Q183 | R11-E211 HydrophobicContact CB-CG 4.48Å; R11-E211 WeakPolarHBondContact CD-OE1 3.48Å; R11-E211 HydrophobicContact CG-CG 4.29Å; R11-E211 IonicContact CZ-OE1 3.82Å; R11-E211 IonicContact NE-OE1 2.93Å; R11-E211 IonicContact NH1-OE1 3.3Å; R11-E211 PolarHBondContact NH1-OE1 2.86Å; R11-E211 CarbonylContact O-C 3.5Å; R11-E211 VanDerWaalsContact O-CA 3.27Å; R11-E211 WeakPolarHBondContact O-CA 3.19Å; F12-E211 HydrophobicContact CD1-CB 3.79Å; F12-E211 HydrophobicContact CD1-CG 3.98Å; F12-E211 HydrophobicContact CE1-CB 3.74Å; F12-E211 VanDerWaalsContact CE1-CD 3.42Å; F12-E211 HydrophobicContact CE1-CG 3.68Å; F12-E211 VanDerWaalsContact CE1-OE2 3.31Å; F12-E211 WeakPolarHBondContact CE1-OE2 3.45Å; F12-E211 HydrophobicContact CZ-CG 4.44Å; R68-E211 IonicContact CZ-OE2 2.85Å; R68-E211 IonicContact NH1-OE2 2.72Å; R68-E211 PolarHBondContact NH1-OE2 3.49Å; R68-E211 IonicContact NH2-OE2 3.54Å; F182-E211 WeakPolarHBondContact CA-O 2.94Å; Q183-E211 PolarHBondContact N-O 2.95Å; Q183-E211 PolarHBondContact O-N 2.88Å |
| 212 | S | 96.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 110.9 | 166.7 | 174.8 | 0 | 0 | 0 | 0 | 108.7 | R11 S181 Y214 G215 A220 | R11-S212 PolarHBondContact O-N 2.99Å; S181-S212 WeakPolarHBondContact O-CA 3.38Å; S181-S212 PolarHBondContact OG-OG 3.12Å; S212-Y214 PolarHBondContact O-N 2.72Å; S212-G215 PolarHBondContact O-N 3.24Å; S212-A220 WeakPolarHBondContact OG-CB 3.29Å |
| 213 | V | 95 | Very high | 95.7 | Very high | 27 Ų | 27 | 37.9 Ų | 37.9 | 16% | 0.164 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -4.4 | 178 | -64.6 | 0 | 0 | 0 | 0 | 113.2 | Q174 F175 S181 G215 | Q174-V213 HydrophobicContact CB-CB 4.07Å; Q174-V213 HydrophobicContact CB-CG1 4.32Å; Q174-V213 HydrophobicContact CB-CG2 3.79Å; F175-V213 HydrophobicContact CB-CG2 3.87Å; F175-V213 HydrophobicContact CD1-CB 4.27Å; F175-V213 HydrophobicContact CD1-CG2 3.75Å; F175-V213 WeakPolarHBondContact CD1-O 3.37Å; F175-V213 WeakPolarHBondContact CE1-O 3.16Å; F175-V213 HydrophobicContact CG-CG2 4.19Å; S181-V213 VanDerWaalsContact O-CG2 3.25Å; S181-V213 WeakPolarHBondContact O-CG2 3.41Å; S181-V213 PolarHBondContact O-N 2.91Å; V213-G215 VanDerWaalsContact C-N 3.29Å |
| 214 | Y | 94.6 | Very high | 95.7 | Very high | 21 Ų | 21 | 32.2 Ų | 32.2 | 8% | 0.082 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -19.2 | 165.1 | 173.7 | -99.2 | 0 | 0 | 0 | 112.6 | F175 S181 S212 A220 R232 | F175-Y214 HydrophobicContact CD2-CD2 4.43Å; F175-Y214 AromaticContact CE2-CD2 3.78Å; F175-Y214 HydrophobicContact CE2-CD2 3.78Å; F175-Y214 HydrophobicContact CZ-CD2 4.15Å; S181-Y214 WeakPolarHBondContact OG-CB 3.35Å; S212-Y214 PolarHBondContact O-N 2.72Å; Y214-A220 HydrophobicContact CD1-CB 4.17Å; Y214-R232 HydrophobicContact CD2-CB 4.39Å; Y214-R232 HydrophobicContact CD2-CG 4.22Å; Y214-R232 HydrophobicContact CE2-CB 4.02Å; Y214-R232 HydrophobicContact CE2-CG 3.51Å; Y214-R232 VanDerWaalsContact CZ-NE 3.27Å; Y214-R232 WeakPolarHBondContact O-CD 3.3Å; Y214-R232 PolarHBondContact O-NH1 3.43Å; Y214-R232 PolarHBondContact OH-NE 2.84Å |
| 215 | G | 93.8 | Very high | 95.6 | Very high | 28 Ų | 28 | 30 Ų | 30 | 29% | 0.289 | 18% | 0.176 | S | C | . | . | S | Bend | trans | 112.1 | -33.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 116 | R11 S212 V213 | R11-G215 VanDerWaalsContact CA-O 3.23Å; R11-G215 WeakPolarHBondContact CA-O 3.41Å; R11-G215 VanDerWaalsContact CB-O 3.29Å; R11-G215 WeakPolarHBondContact CB-O 3.42Å; R11-G215 PolarHBondContact N-O 2.88Å; S212-G215 PolarHBondContact O-N 3.24Å; V213-G215 VanDerWaalsContact C-N 3.29Å |
| 216 | D | 95 | Very high | 95.6 | Very high | 27 Ų | 27 | 34.1 Ų | 34.1 | 14% | 0.144 | 20% | 0.195 | C | C | . | . | trans | -119.3 | 111.3 | 174.8 | -175.3 | 55.6 | 0 | 0 | 0 | 108.7 | R10 G219 A220 | R10-D216 IonicContact CZ-OD1 2.83Å; R10-D216 IonicContact NE-OD1 2.67Å; R10-D216 PolarHBondContact NE-OD1 2.85Å; R10-D216 IonicContact NH2-OD1 3.71Å; R10-D216 PolarHBondContact NH2-OD1 3.31Å; R10-D216 IonicContact NH2-OD2 2.74Å; D216-G219 WeakPolarHBondContact OD2-CA 3.28Å; D216-G219 PolarHBondContact OD2-N 3.5Å; D216-G219 VanDerWaalsContact OD2-N 3.15Å; D216-A220 WeakPolarHBondContact O-CB 3.45Å; D216-A220 PolarHBondContact O-N 3.47Å | ||
| 217 | F | 96.3 | Very high | 95.5 | Very high | 5 Ų | 5 | 37.5 Ų | 37.5 | 2% | 0.022 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.2 | -50 | -171.7 | -167.7 | -81 | 0 | 0 | 0 | 111.4 | R10 C13 L78 F182 G219 A220 I221 | R10-F217 WeakPolarHBondContact O-CB 3.4Å; R10-F217 PolarHBondContact O-N 3.19Å; C13-F217 HydrophobicContact CB-CB 4.29Å; C13-F217 HydrophobicContact CB-CD1 3.25Å; C13-F217 HydrophobicContact CB-CD2 4.07Å; C13-F217 HydrophobicContact CB-CE1 3.44Å; C13-F217 VanDerWaalsContact CB-CE1 3.44Å; C13-F217 HydrophobicContact CB-CE2 4.24Å; C13-F217 HydrophobicContact CB-CG 3.6Å; C13-F217 HydrophobicContact CB-CZ 3.94Å; L78-F217 HydrophobicContact CD1-CE2 4.4Å; L78-F217 HydrophobicContact CD1-CZ 3.81Å; L78-F217 HydrophobicContact CD2-CE1 4.5Å; L78-F217 HydrophobicContact CD2-CZ 3.86Å; L78-F217 HydrophobicContact CG-CZ 4.49Å; F182-F217 HydrophobicContact CD1-CD2 4.36Å; F182-F217 AromaticContact CD1-CE2 3.88Å; F182-F217 HydrophobicContact CD1-CE2 3.88Å; F182-F217 HydrophobicContact CD1-CZ 4.15Å; F182-F217 HydrophobicContact CE1-CD2 4.49Å; F182-F217 HydrophobicContact CE1-CE2 4.26Å; F182-F217 HydrophobicContact CE1-CZ 4.3Å; F217-G219 VanDerWaalsContact C-N 3.35Å; F217-G219 PolarHBondContact O-N 3.39Å; F217-A220 PolarHBondContact O-N 3.33Å; F217-I221 HydrophobicContact CD1-CG1 3.73Å; F217-I221 HydrophobicContact CE1-CD1 3.89Å; F217-I221 HydrophobicContact CE1-CG1 3.51Å; F217-I221 HydrophobicContact CZ-CD1 4.37Å; F217-I221 HydrophobicContact CZ-CG1 4.38Å; F217-I221 WeakPolarHBondContact O-CG1 3.43Å; F217-I221 PolarHBondContact O-N 3.31Å |
| 218 | E | 95.3 | Very high | 95.4 | Very high | 112 Ų | 112 | 34.7 Ų | 34.7 | 52% | 0.523 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -64.3 | -38.8 | 179.6 | -63.5 | -54.9 | 132.3 | 0 | 0 | 111.8 | C13 I221 G222 | C13-E218 PolarHBondContact SG-OE1 2.97Å; E218-I221 PolarHBondContact O-N 2.8Å; E218-G222 PolarHBondContact O-N 3.01Å |
| 219 | G | 95.6 | Very high | 95.3 | Very high | 22 Ų | 22 | 34.7 Ų | 34.7 | 23% | 0.227 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.9 | -44.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D216 F217 G222 H223 | D216-G219 WeakPolarHBondContact OD2-CA 3.28Å; D216-G219 PolarHBondContact OD2-N 3.5Å; D216-G219 VanDerWaalsContact OD2-N 3.15Å; F217-G219 VanDerWaalsContact C-N 3.35Å; F217-G219 PolarHBondContact O-N 3.39Å; G219-G222 PolarHBondContact O-N 3.01Å; G219-H223 PolarHBondContact O-CD2 2.97Å; G219-H223 VanDerWaalsContact O-CG 3.27Å; G219-H223 PolarHBondContact O-N 3.5Å |
| 220 | A | 95.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.6 | -38.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | F182 S212 Y214 D216 F217 H223 L224 | F182-A220 HydrophobicContact CE1-CB 3.77Å; F182-A220 HydrophobicContact CZ-CB 3.61Å; S212-A220 WeakPolarHBondContact OG-CB 3.29Å; Y214-A220 HydrophobicContact CD1-CB 4.17Å; D216-A220 WeakPolarHBondContact O-CB 3.45Å; D216-A220 PolarHBondContact O-N 3.47Å; F217-A220 PolarHBondContact O-N 3.33Å; A220-H223 PolarHBondContact O-N 3.37Å; A220-L224 PolarHBondContact O-N 3.49Å |
| 221 | I | 94.9 | Very high | 95.1 | Very high | 28 Ų | 28 | 32.3 Ų | 32.3 | 14% | 0.144 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.1 | -44.4 | 172.9 | -71.3 | -67.1 | 0 | 0 | 0 | 110.4 | L78 F182 F217 E218 H223 L224 C225 | L78-I221 HydrophobicContact CB-CD1 3.81Å; L78-I221 HydrophobicContact CD1-CD1 4.06Å; L78-I221 HydrophobicContact CG-CD1 4.37Å; F182-I221 HydrophobicContact CE1-CD1 3.73Å; F182-I221 HydrophobicContact CE1-CG1 3.94Å; F182-I221 HydrophobicContact CZ-CD1 3.75Å; F182-I221 HydrophobicContact CZ-CG1 4.11Å; F217-I221 HydrophobicContact CD1-CG1 3.73Å; F217-I221 HydrophobicContact CE1-CD1 3.89Å; F217-I221 HydrophobicContact CE1-CG1 3.51Å; F217-I221 HydrophobicContact CZ-CD1 4.37Å; F217-I221 HydrophobicContact CZ-CG1 4.38Å; F217-I221 WeakPolarHBondContact O-CG1 3.43Å; F217-I221 PolarHBondContact O-N 3.31Å; E218-I221 PolarHBondContact O-N 2.8Å; I221-H223 VanDerWaalsContact C-N 3.29Å; I221-H223 PolarHBondContact O-N 2.96Å; I221-L224 WeakPolarHBondContact O-CB 3.26Å; I221-L224 PolarHBondContact O-N 3.43Å; I221-C225 PolarHBondContact O-N 3.09Å; I221-C225 PolarHBondContact O-SG 3.06Å |
| 222 | G | 95.4 | Very high | 94.8 | Very high | 22 Ų | 22 | 37.7 Ų | 37.7 | 23% | 0.227 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -54.5 | -45.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | E218 G219 C225 Q226 | E218-G222 PolarHBondContact O-N 3.01Å; G219-G222 PolarHBondContact O-N 3.01Å; G222-C225 PolarHBondContact O-N 2.77Å; G222-Q226 VanDerWaalsContact O-CB 3.29Å; G222-Q226 WeakPolarHBondContact O-CB 3.32Å; G222-Q226 VanDerWaalsContact O-CG 3.32Å; G222-Q226 WeakPolarHBondContact O-CG 3.29Å; G222-Q226 PolarHBondContact O-N 2.98Å |
| 223 | H | 95.3 | Very high | 94.5 | Very high | 24 Ų | 24 | 39.2 Ų | 39.2 | 11% | 0.111 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.6 | -40.2 | 174.4 | -60.4 | 162.1 | 0 | 0 | 0 | 113 | S178 V179 G219 A220 I221 R227 I228 | S178-H223 PolarHBondContact OG-ND1 3.33Å; V179-H223 HydrophobicContact CG1-CB 4.35Å; G219-H223 PolarHBondContact O-CD2 2.97Å; G219-H223 VanDerWaalsContact O-CG 3.27Å; G219-H223 PolarHBondContact O-N 3.5Å; A220-H223 PolarHBondContact O-N 3.37Å; I221-H223 VanDerWaalsContact C-N 3.29Å; I221-H223 PolarHBondContact O-N 2.96Å; H223-R227 CarbonylContact O-C 3.54Å; H223-R227 WeakPolarHBondContact O-CA 3.46Å; H223-R227 PolarHBondContact O-N 3.38Å; H223-I228 HydrophobicContact CB-CB 3.98Å; H223-I228 PolarHBondContact O-N 3.1Å |
| 224 | L | 93.4 | Very high | 94.3 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.8 | -47.5 | 177.8 | -173.4 | 65 | 0 | 0 | 0 | 111.6 | T82 V179 F182 A220 I221 R227 | T82-L224 HydrophobicContact CG2-CD1 3.81Å; T82-L224 HydrophobicContact CG2-CG 4.16Å; V179-L224 HydrophobicContact CB-CD1 4.04Å; V179-L224 HydrophobicContact CG1-CD1 4.34Å; F182-L224 HydrophobicContact CE2-CB 4.43Å; F182-L224 HydrophobicContact CE2-CD2 3.96Å; A220-L224 PolarHBondContact O-N 3.49Å; I221-L224 WeakPolarHBondContact O-CB 3.26Å; I221-L224 PolarHBondContact O-N 3.43Å; L224-R227 PolarHBondContact O-N 3.01Å |
| 225 | C | 92.3 | Very high | 94.1 | Very high | 49 Ų | 49 | 44.1 Ų | 44.1 | 33% | 0.331 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.8 | -40.3 | 178.9 | -66 | 0 | 0 | 0 | 0 | 112.8 | Y79 I221 G222 R227 | Y79-C225 VanDerWaalsContact CD2-SG 3.55Å; Y79-C225 HydrophobicContact CE2-CB 4.42Å; I221-C225 PolarHBondContact O-N 3.09Å; I221-C225 PolarHBondContact O-SG 3.06Å; G222-C225 PolarHBondContact O-N 2.77Å; C225-R227 VanDerWaalsContact C-N 3.32Å |
| 226 | Q | 93.8 | Very high | 93.9 | Very high | 145 Ų | 145 | 44.2 Ų | 44.2 | 68% | 0.678 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | 1.6 | -178.5 | -63.9 | 175.4 | 6.7 | 0 | 0 | 113.4 | G222 I228 | G222-Q226 VanDerWaalsContact O-CB 3.29Å; G222-Q226 WeakPolarHBondContact O-CB 3.32Å; G222-Q226 VanDerWaalsContact O-CG 3.32Å; G222-Q226 WeakPolarHBondContact O-CG 3.29Å; G222-Q226 PolarHBondContact O-N 2.98Å; Q226-I228 HydrophobicContact CB-CD1 4.46Å; Q226-I228 HydrophobicContact CB-CG1 3.78Å |
| 227 | R | 94.3 | Very high | 93.8 | Very high | 85 Ų | 85 | 43.1 Ų | 43.1 | 32% | 0.321 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 53.1 | -174.7 | -54.1 | -172.5 | -177.6 | -160.5 | -0.3 | 112.8 | D81 T82 H223 L224 C225 Q251 F253 R254 | D81-R227 PolarHBondContact O-NH2 2.94Å; T82-R227 PolarHBondContact O-NH2 3.29Å; H223-R227 CarbonylContact O-C 3.54Å; H223-R227 WeakPolarHBondContact O-CA 3.46Å; H223-R227 PolarHBondContact O-N 3.38Å; L224-R227 PolarHBondContact O-N 3.01Å; C225-R227 VanDerWaalsContact C-N 3.32Å; R227-Q251 PolarHBondContact NH1-O 3.46Å; R227-F253 HydrophobicContact CB-CB 4.34Å; R227-F253 HydrophobicContact CB-CD1 3.73Å; R227-F253 HydrophobicContact CB-CD2 4.17Å; R227-F253 HydrophobicContact CB-CE1 3.95Å; R227-F253 HydrophobicContact CB-CE2 4.38Å; R227-F253 HydrophobicContact CB-CG 3.82Å; R227-F253 HydrophobicContact CB-CZ 4.27Å; R227-F253 HydrophobicContact CG-CE1 4.28Å; R227-F253 HydrophobicContact CG-CE2 4.33Å; R227-F253 HydrophobicContact CG-CZ 4.18Å; R227-F253 CarbonylContact O-C 3.53Å; R227-F253 WeakPolarHBondContact O-CA 3.32Å; R227-F253 WeakPolarHBondContact O-CB 3.42Å; R227-R254 PolarHBondContact O-N 3.26Å |
| 228 | I | 95.9 | Very high | 93.6 | Very high | 30 Ų | 30 | 48.2 Ų | 48.2 | 15% | 0.154 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 133.6 | -179.1 | -58.8 | -61.1 | 0 | 0 | 0 | 111.6 | V179 H223 Q226 R254 I256 | V179-I228 WeakPolarHBondContact CG1-O 3.34Å; H223-I228 HydrophobicContact CB-CB 3.98Å; H223-I228 PolarHBondContact O-N 3.1Å; Q226-I228 HydrophobicContact CB-CD1 4.46Å; Q226-I228 HydrophobicContact CB-CG1 3.78Å; I228-R254 CarbonylContact C-O 3.58Å; I228-R254 VanDerWaalsContact CA-O 3.32Å; I228-R254 WeakPolarHBondContact CA-O 3.19Å; I228-I256 HydrophobicContact CG2-CB 3.55Å; I228-I256 HydrophobicContact CG2-CD1 4.37Å; I228-I256 HydrophobicContact CG2-CG1 4.01Å |
| 229 | I | 96.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 111.4 | 171.2 | -47.9 | -179.4 | 0 | 0 | 0 | 108.5 | F177 Y245 L248 L249 F253 R254 I256 M261 | F177-I229 HydrophobicContact CD1-CG2 3.47Å; F177-I229 VanDerWaalsContact CD1-CG2 3.47Å; F177-I229 HydrophobicContact CE1-CG2 3.67Å; F177-I229 HydrophobicContact CG-CG2 4.13Å; F177-I229 HydrophobicContact CZ-CG2 4.46Å; I229-Y245 HydrophobicContact CD1-CD2 3.92Å; I229-Y245 HydrophobicContact CD1-CE2 3.71Å; I229-Y245 HydrophobicContact CG2-CD2 4.01Å; I229-Y245 HydrophobicContact CG2-CE2 4.15Å; I229-L248 HydrophobicContact CD1-CB 3.72Å; I229-L248 HydrophobicContact CD1-CD1 4.45Å; I229-L248 HydrophobicContact CG1-CB 4.17Å; I229-L248 HydrophobicContact CG1-CD1 4.34Å; I229-L248 HydrophobicContact CG2-CD1 4.37Å; I229-L249 HydrophobicContact CD1-CD2 3.84Å; I229-L249 HydrophobicContact CD1-CG 4.1Å; I229-F253 HydrophobicContact CD1-CB 3.97Å; I229-F253 HydrophobicContact CG1-CB 3.62Å; I229-R254 PolarHBondContact N-O 3.49Å; I229-I256 PolarHBondContact O-N 3.33Å; I229-I256 VanDerWaalsContact O-N 3.09Å; I229-M261 HydrophobicContact CB-CE 4.18Å; I229-M261 HydrophobicContact CG2-CE 3.86Å |
| 230 | A | 95.7 | Very high | 93.3 | Very high | 4 Ų | 4 | 42.9 Ų | 42.9 | 3% | 0.033 | 22% | 0.215 | C | C | . | . | trans | -140.1 | 145.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | F177 S178 I256 | F177-A230 WeakPolarHBondContact CA-O 3.4Å; S178-A230 PolarHBondContact N-O 3.46Å; S178-A230 PolarHBondContact OG-O 2.81Å; A230-I256 HydrophobicContact CB-CB 4.26Å; A230-I256 HydrophobicContact CB-CD1 4.33Å; A230-I256 HydrophobicContact CB-CG2 4Å | ||
| 231 | T | 94.5 | Very high | 93.3 | Very high | 30 Ų | 30 | 42.9 Ų | 42.9 | 18% | 0.184 | 22% | 0.215 | C | C | . | . | trans | -139.2 | 156 | 171.4 | -168 | 0 | 0 | 0 | 0 | 109.5 | E176 P234 I237 L264 | E176-T231 WeakPolarHBondContact O-CB 3.34Å; E176-T231 PolarHBondContact O-OG1 3.18Å; T231-P234 HydrophobicContact CG2-CB 4.43Å; T231-I237 HydrophobicContact CG2-CD1 4.11Å; T231-L264 HydrophobicContact CG2-CD1 4.5Å; T231-L264 HydrophobicContact CG2-CD2 3.57Å | ||
| 232 | R | 91.2 | Very high | 93.4 | Very high | 132 Ų | 132 | 41.6 Ų | 41.6 | 50% | 0.498 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -114 | -10.3 | 176.6 | -79.9 | 167.8 | -177 | -176.5 | -1.9 | 112.9 | Y214 P234 | Y214-R232 HydrophobicContact CD2-CB 4.39Å; Y214-R232 HydrophobicContact CD2-CG 4.22Å; Y214-R232 HydrophobicContact CE2-CB 4.02Å; Y214-R232 HydrophobicContact CE2-CG 3.51Å; Y214-R232 VanDerWaalsContact CZ-NE 3.27Å; Y214-R232 WeakPolarHBondContact O-CD 3.3Å; Y214-R232 PolarHBondContact O-NH1 3.43Å; Y214-R232 PolarHBondContact OH-NE 2.84Å; R232-P234 VanDerWaalsContact C-CD 3.41Å; R232-P234 WeakPolarHBondContact O-CD 3.47Å |
| 233 | S | 89.8 | Confident | 93.4 | Very high | 32 Ų | 32 | 40.7 Ų | 40.7 | 22% | 0.224 | 20% | 0.198 | C | C | . | . | trans | -128.9 | 59.3 | -174.7 | -59.5 | 0 | 0 | 0 | 0 | 110.5 | E235 E236 | S233-E235 WeakPolarHBondContact CA-OE1 3.44Å; S233-E235 WeakPolarHBondContact CB-OE1 3.48Å; S233-E235 PolarHBondContact O-N 2.82Å; S233-E236 PolarHBondContact O-N 3.03Å | ||
| 234 | P | 91.8 | Very high | 93.4 | Very high | 49 Ų | 49 | 41.9 Ų | 41.9 | 32% | 0.318 | 20% | 0.203 | S | C | . | . | G | 310 helix | trans | -56.7 | -35.2 | -176.6 | 26.7 | -37 | 0 | 0 | 0 | 112.5 | T231 R232 E236 I237 L264 Y267 | T231-P234 HydrophobicContact CG2-CB 4.43Å; R232-P234 VanDerWaalsContact C-CD 3.41Å; R232-P234 WeakPolarHBondContact O-CD 3.47Å; P234-E236 PolarHBondContact O-N 3.44Å; P234-I237 WeakPolarHBondContact O-CB 3.5Å; P234-I237 PolarHBondContact O-N 3.5Å; P234-I237 VanDerWaalsContact O-N 3.14Å; P234-L264 HydrophobicContact CB-CD1 3.5Å; P234-Y267 WeakPolarHBondContact O-CD1 3.47Å; P234-Y267 WeakPolarHBondContact O-CE1 3.33Å |
| 235 | E | 89.9 | Confident | 93.5 | Very high | 102 Ų | 102 | 42 Ų | 42 | 48% | 0.477 | 20% | 0.203 | S | C | . | . | G | 310 helix | trans | -62.1 | -17.5 | 176.9 | 71.2 | -67.3 | 157.4 | 0 | 0 | 114.6 | S233 Y267 | S233-E235 WeakPolarHBondContact CA-OE1 3.44Å; S233-E235 WeakPolarHBondContact CB-OE1 3.48Å; S233-E235 PolarHBondContact O-N 2.82Å; E235-Y267 WeakPolarHBondContact CA-OH 3.27Å; E235-Y267 PolarHBondContact O-OH 3.18Å; E235-Y267 VanDerWaalsContact O-OH 3.04Å |
| 236 | E | 89.8 | Confident | 93.7 | Very high | 30 Ų | 30 | 39.6 Ų | 39.6 | 14% | 0.14 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -90.2 | -15.2 | 178.5 | -60.1 | -142 | 152.1 | 0 | 0 | 113 | R172 R173 S233 P234 R238 | R172-E236 WeakPolarHBondContact CG-OE1 3.36Å; R172-E236 IonicContact CZ-OE1 2.66Å; R172-E236 VanDerWaalsContact CZ-OE1 3.28Å; R172-E236 IonicContact NE-OE1 3.34Å; R172-E236 PolarHBondContact NE-OE1 3.45Å; R172-E236 IonicContact NH2-OE1 3.4Å; R172-E236 PolarHBondContact NH2-OE1 3.32Å; R173-E236 WeakPolarHBondContact CD-O 2.96Å; R173-E236 HydrophobicContact CG-CB 4.16Å; R173-E236 PolarHBondContact NE-O 2.84Å; S233-E236 PolarHBondContact O-N 3.03Å; P234-E236 PolarHBondContact O-N 3.44Å; E236-R238 PolarHBondContact O-N 2.87Å |
| 237 | I | 92.1 | Very high | 93.7 | Very high | 3 Ų | 3 | 33.5 Ų | 33.5 | 2% | 0.015 | 16% | 0.159 | C | C | . | . | trans | -67.1 | 126.8 | -179.5 | -60.7 | -174.9 | 0 | 0 | 0 | 110.8 | F177 T231 P234 L264 Y267 M268 | F177-I237 HydrophobicContact CE1-CD1 4.23Å; F177-I237 HydrophobicContact CZ-CD1 4.28Å; T231-I237 HydrophobicContact CG2-CD1 4.11Å; P234-I237 WeakPolarHBondContact O-CB 3.5Å; P234-I237 PolarHBondContact O-N 3.5Å; P234-I237 VanDerWaalsContact O-N 3.14Å; I237-L264 HydrophobicContact CD1-CD1 4.29Å; I237-Y267 HydrophobicContact CB-CE1 4.44Å; I237-M268 HydrophobicContact CG2-CG 4.09Å | ||
| 238 | R | 93 | Very high | 93.7 | Very high | 113 Ų | 113 | 29.7 Ų | 29.7 | 43% | 0.426 | 15% | 0.145 | S | C | . | . | trans | -94 | 171.5 | 173 | -65.5 | -61.4 | -159.6 | -168.7 | 6.3 | 110.7 | R173 E236 G240 G241 | R173-R238 VanDerWaalsContact NH2-CZ 3.32Å; E236-R238 PolarHBondContact O-N 2.87Å; R238-G240 PolarHBondContact O-N 3.28Å; R238-G241 PolarHBondContact O-N 2.8Å | ||
| 239 | G | 90.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -30.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | G241 L242 D275 | G239-G241 PolarHBondContact O-N 3.27Å; G239-L242 PolarHBondContact O-N 3.06Å; G239-D275 PolarHBondContact N-OD2 2.86Å |
| 240 | G | 93.4 | Very high | 93.5 | Very high | 22 Ų | 22 | 30.1 Ų | 30.1 | 23% | 0.227 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.6 | -26.8 | 174 | 0 | 0 | 0 | 0 | 0 | 114.7 | R238 L242 L243 K244 | R238-G240 PolarHBondContact O-N 3.28Å; G240-L242 VanDerWaalsContact C-N 3.26Å; G240-L242 PolarHBondContact O-N 3.45Å; G240-L243 WeakPolarHBondContact O-CB 3.41Å; G240-L243 PolarHBondContact O-N 3.01Å; G240-K244 PolarHBondContact O-N 3.46Å |
| 241 | G | 95.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.9 | -25.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | R238 G239 L243 K244 Y245 | R238-G241 PolarHBondContact O-N 2.8Å; G239-G241 PolarHBondContact O-N 3.27Å; G241-L243 VanDerWaalsContact C-N 3.32Å; G241-L243 PolarHBondContact O-N 3.06Å; G241-K244 PolarHBondContact O-N 2.83Å; G241-Y245 VanDerWaalsContact O-CB 3.27Å; G241-Y245 WeakPolarHBondContact O-CB 3.43Å; G241-Y245 PolarHBondContact O-N 3.23Å |
| 242 | L | 96.8 | Very high | 93 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.8 | -42.1 | 170.3 | -179.4 | 62.3 | 0 | 0 | 0 | 111.2 | G239 G240 Y245 C246 M268 F272 L308 V311 V312 | G239-L242 PolarHBondContact O-N 3.06Å; G240-L242 VanDerWaalsContact C-N 3.26Å; G240-L242 PolarHBondContact O-N 3.45Å; L242-Y245 WeakPolarHBondContact O-CB 3.5Å; L242-Y245 PolarHBondContact O-N 3.3Å; L242-C246 PolarHBondContact O-N 3.23Å; L242-C246 PolarHBondContact O-SG 3.03Å; L242-M268 HydrophobicContact CB-CB 4.1Å; L242-M268 HydrophobicContact CD1-CB 4.04Å; L242-F272 HydrophobicContact CB-CB 4.37Å; L242-F272 HydrophobicContact CB-CD2 4.43Å; L242-F272 HydrophobicContact CD2-CB 3.71Å; L242-F272 HydrophobicContact CD2-CD1 4.34Å; L242-F272 HydrophobicContact CD2-CD2 4.01Å; L242-F272 HydrophobicContact CD2-CG 3.76Å; L242-L308 HydrophobicContact CD1-CD1 4.4Å; L242-L308 HydrophobicContact CD2-CD1 3.84Å; L242-L308 HydrophobicContact CG-CD1 3.77Å; L242-V311 HydrophobicContact CD1-CG1 3.78Å; L242-V312 HydrophobicContact CD2-CG2 4.14Å |
| 243 | L | 96.6 | Very high | 93.1 | Very high | 3 Ų | 3 | 25.2 Ų | 25.2 | 2% | 0.016 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -68.6 | -41.3 | -180 | -53.5 | -176.1 | 0 | 0 | 0 | 110.7 | G240 G241 C246 H247 F272 K285 L286 Y289 L308 | G240-L243 WeakPolarHBondContact O-CB 3.41Å; G240-L243 PolarHBondContact O-N 3.01Å; G241-L243 VanDerWaalsContact C-N 3.32Å; G241-L243 PolarHBondContact O-N 3.06Å; L243-C246 PolarHBondContact O-N 3.14Å; L243-H247 WeakPolarHBondContact O-CB 3.3Å; L243-H247 PolarHBondContact O-N 3.11Å; L243-F272 HydrophobicContact CD2-CD2 4.49Å; L243-F272 HydrophobicContact CD2-CE2 3.95Å; L243-F272 HydrophobicContact CG-CE2 4.33Å; L243-K285 HydrophobicContact CD1-CG 4.17Å; L243-L286 HydrophobicContact CD1-CD2 4.33Å; L243-L286 HydrophobicContact CD2-CD2 3.51Å; L243-Y289 HydrophobicContact CB-CD1 4.07Å; L243-Y289 HydrophobicContact CB-CD2 3.99Å; L243-Y289 HydrophobicContact CB-CE1 3.97Å; L243-Y289 HydrophobicContact CB-CE2 3.9Å; L243-Y289 HydrophobicContact CB-CG 4.09Å; L243-Y289 HydrophobicContact CD1-CD2 3.98Å; L243-Y289 HydrophobicContact CD1-CG 3.9Å; L243-L308 HydrophobicContact CD2-CD1 4.12Å; L243-L308 HydrophobicContact CD2-CD2 3.88Å |
| 244 | K | 94.7 | Very high | 93.4 | Very high | 49 Ų | 49 | 32.5 Ų | 32.5 | 21% | 0.213 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.7 | -39.6 | 174.5 | -167.9 | 178.4 | -167.3 | 171 | 0 | 112.6 | E176 F177 D180 G240 G241 H247 L248 Y289 | E176-K244 HydrophobicContact CB-CD 4.25Å; E176-K244 WeakPolarHBondContact OE2-CD 3.5Å; E176-K244 IonicContact OE2-NZ 3.73Å; F177-K244 HydrophobicContact CD2-CD 4.06Å; F177-K244 HydrophobicContact CD2-CG 4.35Å; F177-K244 HydrophobicContact CE2-CB 4.27Å; F177-K244 HydrophobicContact CE2-CD 4.15Å; F177-K244 HydrophobicContact CE2-CG 4.19Å; D180-K244 WeakPolarHBondContact OD1-CE 3.46Å; D180-K244 IonicContact OD1-NZ 3.93Å; D180-K244 PolarHBondContact OD1-NZ 2.86Å; D180-K244 IonicContact OD2-NZ 3.97Å; D180-K244 PolarHBondContact OD2-NZ 3.3Å; G240-K244 PolarHBondContact O-N 3.46Å; G241-K244 PolarHBondContact O-N 2.83Å; K244-H247 WeakPolarHBondContact O-CB 3.46Å; K244-H247 PolarHBondContact O-N 3.34Å; K244-L248 WeakPolarHBondContact O-CG 3.34Å; K244-L248 PolarHBondContact O-N 3.49Å; K244-Y289 WeakPolarHBondContact CA-OH 3.17Å |
| 245 | Y | 96.3 | Very high | 93.6 | Very high | 3 Ų | 3 | 31.8 Ų | 31.8 | 1% | 0.012 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.8 | -49.5 | 173.5 | 176.5 | -106.2 | 0 | 0 | 0 | 111.7 | F177 I229 G241 L242 H247 L248 L249 M261 Q265 M268 V311 | F177-Y245 HydrophobicContact CE1-CD2 4.47Å; F177-Y245 HydrophobicContact CZ-CD2 4.34Å; I229-Y245 HydrophobicContact CD1-CD2 3.92Å; I229-Y245 HydrophobicContact CD1-CE2 3.71Å; I229-Y245 HydrophobicContact CG2-CD2 4.01Å; I229-Y245 HydrophobicContact CG2-CE2 4.15Å; G241-Y245 VanDerWaalsContact O-CB 3.27Å; G241-Y245 WeakPolarHBondContact O-CB 3.43Å; G241-Y245 PolarHBondContact O-N 3.23Å; L242-Y245 WeakPolarHBondContact O-CB 3.5Å; L242-Y245 PolarHBondContact O-N 3.3Å; Y245-H247 VanDerWaalsContact C-N 3.34Å; Y245-H247 PolarHBondContact O-N 3.23Å; Y245-L248 PolarHBondContact O-N 3.4Å; Y245-L249 HydrophobicContact CD1-CD1 4.06Å; Y245-L249 HydrophobicContact CE1-CD1 3.38Å; Y245-L249 HydrophobicContact CE1-CG 4.1Å; Y245-L249 HydrophobicContact CE2-CD1 4.4Å; Y245-L249 HydrophobicContact CE2-CD2 4.45Å; Y245-L249 HydrophobicContact CE2-CG 4.29Å; Y245-L249 WeakPolarHBondContact O-CG 3.35Å; Y245-L249 PolarHBondContact O-N 3.1Å; Y245-M261 HydrophobicContact CD2-SD 4.03Å; Y245-M261 HydrophobicContact CE2-CE 3.82Å; Y245-M261 HydrophobicContact CE2-CG 3.96Å; Y245-M261 HydrophobicContact CE2-SD 3.3Å; Y245-M261 WeakPolarHBondContact CE2-SD 3.33Å; Y245-M261 WeakPolarHBondContact OH-CG 3.4Å; Y245-Q265 HydrophobicContact CE1-CG 3.84Å; Y245-Q265 PolarHBondContact OH-NE2 3.42Å; Y245-M268 HydrophobicContact CD1-CE 3.67Å; Y245-M268 HydrophobicContact CD2-CE 3.86Å; Y245-M268 HydrophobicContact CE1-CE 4.24Å; Y245-M268 HydrophobicContact CE2-CE 4.42Å; Y245-M268 HydrophobicContact CG-CE 3.46Å; Y245-M268 VanDerWaalsContact CG-CE 3.46Å; Y245-M268 HydrophobicContact CG-SD 4.18Å; Y245-V311 HydrophobicContact CE1-CG1 4.47Å; Y245-V311 HydrophobicContact CE1-CG2 4.02Å |
| 246 | C | 96.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66 | -34 | 177.6 | -64.1 | 0 | 0 | 0 | 0 | 112.9 | L242 L243 A250 T307 L308 | L242-C246 PolarHBondContact O-N 3.23Å; L242-C246 PolarHBondContact O-SG 3.03Å; L243-C246 PolarHBondContact O-N 3.14Å; C246-A250 WeakPolarHBondContact O-CB 3.08Å; C246-A250 PolarHBondContact O-N 3.14Å; C246-T307 HydrophobicContact CB-CG2 4.11Å; C246-L308 HydrophobicContact CB-CB 4.23Å; C246-L308 VanDerWaalsContact SG-CA 3.59Å |
| 247 | H | 93.6 | Very high | 93.9 | Very high | 17 Ų | 17 | 32 Ų | 32 | 8% | 0.079 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.1 | -47.9 | 172.6 | -178.1 | 114.1 | 0 | 0 | 0 | 111.7 | L243 K244 Y245 L249 A250 Q251 Y289 H293 F294 | L243-H247 WeakPolarHBondContact O-CB 3.3Å; L243-H247 PolarHBondContact O-N 3.11Å; K244-H247 WeakPolarHBondContact O-CB 3.46Å; K244-H247 PolarHBondContact O-N 3.34Å; Y245-H247 VanDerWaalsContact C-N 3.34Å; Y245-H247 PolarHBondContact O-N 3.23Å; H247-L249 PolarHBondContact O-N 2.88Å; H247-A250 PolarHBondContact O-N 2.93Å; H247-Q251 PolarHBondContact CD2-OE1 2.84Å; H247-Q251 PolarHBondContact NE2-NE2 3.48Å; H247-Q251 PolarHBondContact NE2-OE1 3.46Å; H247-Q251 PolarHBondContact O-N 3.4Å; H247-Y289 HydrophobicContact CB-CE1 4.19Å; H247-Y289 WeakPolarHBondContact CB-OH 3.49Å; H247-H293 PolarHBondContact CE1-O 3Å; H247-F294 AromaticContact ND1-CE2 3.58Å; H247-F294 AromaticContact ND1-CZ 3.45Å; H247-F294 WeakPolarHBondContact ND1-CZ 3.44Å |
| 248 | L | 93.8 | Very high | 93.8 | Very high | 4 Ų | 4 | 39.4 Ų | 39.4 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.2 | -46 | 176.9 | -71.9 | 171.4 | 0 | 0 | 0 | 111.3 | M84 F177 V179 I229 K244 Y245 A250 Q251 G252 F253 | M84-L248 HydrophobicContact CE-CD2 3.82Å; F177-L248 HydrophobicContact CD2-CD1 3.79Å; F177-L248 HydrophobicContact CE2-CD1 4.23Å; F177-L248 HydrophobicContact CG-CD1 4.17Å; V179-L248 HydrophobicContact CG2-CD1 4.1Å; V179-L248 HydrophobicContact CG2-CD2 4.01Å; I229-L248 HydrophobicContact CD1-CB 3.72Å; I229-L248 HydrophobicContact CD1-CD1 4.45Å; I229-L248 HydrophobicContact CG1-CB 4.17Å; I229-L248 HydrophobicContact CG1-CD1 4.34Å; I229-L248 HydrophobicContact CG2-CD1 4.37Å; K244-L248 WeakPolarHBondContact O-CG 3.34Å; K244-L248 PolarHBondContact O-N 3.49Å; Y245-L248 PolarHBondContact O-N 3.4Å; L248-A250 PolarHBondContact O-N 3.36Å; L248-Q251 PolarHBondContact O-N 3.44Å; L248-Q251 VanDerWaalsContact O-N 3.12Å; L248-G252 PolarHBondContact O-N 3.41Å; L248-F253 HydrophobicContact CB-CB 4.05Å; L248-F253 HydrophobicContact CB-CD2 4.48Å; L248-F253 HydrophobicContact CB-CG 4.26Å; L248-F253 HydrophobicContact CD2-CD1 4.21Å; L248-F253 HydrophobicContact CD2-CD2 4.1Å; L248-F253 HydrophobicContact CD2-CE1 4.36Å; L248-F253 HydrophobicContact CD2-CE2 4.24Å; L248-F253 HydrophobicContact CD2-CG 4.12Å; L248-F253 HydrophobicContact CD2-CZ 4.38Å; L248-F253 WeakPolarHBondContact O-CB 3.39Å; L248-F253 WeakPolarHBondContact O-CD2 3.46Å; L248-F253 PolarHBondContact O-N 3.4Å |
| 249 | L | 94.9 | Very high | 93.6 | Very high | 39 Ų | 39 | 39.7 Ų | 39.7 | 20% | 0.204 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.2 | -46.4 | 175.1 | -74.5 | -177.4 | 0 | 0 | 0 | 112.6 | I229 Y245 H247 Q251 G252 F253 T307 V311 | I229-L249 HydrophobicContact CD1-CD2 3.84Å; I229-L249 HydrophobicContact CD1-CG 4.1Å; Y245-L249 HydrophobicContact CD1-CD1 4.06Å; Y245-L249 HydrophobicContact CE1-CD1 3.38Å; Y245-L249 HydrophobicContact CE1-CG 4.1Å; Y245-L249 HydrophobicContact CE2-CD1 4.4Å; Y245-L249 HydrophobicContact CE2-CD2 4.45Å; Y245-L249 HydrophobicContact CE2-CG 4.29Å; Y245-L249 WeakPolarHBondContact O-CG 3.35Å; Y245-L249 PolarHBondContact O-N 3.1Å; H247-L249 PolarHBondContact O-N 2.88Å; L249-Q251 PolarHBondContact O-N 3.43Å; L249-G252 WeakPolarHBondContact O-CA 3.3Å; L249-G252 PolarHBondContact O-N 2.83Å; L249-F253 WeakPolarHBondContact CD2-O 3.3Å; L249-T307 HydrophobicContact CB-CG2 3.75Å; L249-T307 HydrophobicContact CD1-CG2 3.47Å; L249-T307 VanDerWaalsContact CD1-CG2 3.47Å; L249-T307 HydrophobicContact CG-CG2 4.29Å; L249-V311 HydrophobicContact CD1-CG2 4.4Å |
| 250 | A | 92.1 | Very high | 93.5 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.008 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.8 | -13.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114 | C246 H247 L248 K300 E303 C304 | C246-A250 WeakPolarHBondContact O-CB 3.08Å; C246-A250 PolarHBondContact O-N 3.14Å; H247-A250 PolarHBondContact O-N 2.93Å; L248-A250 PolarHBondContact O-N 3.36Å; A250-K300 WeakPolarHBondContact O-CD 3.49Å; A250-K300 WeakPolarHBondContact O-CE 3.23Å; A250-K300 PolarHBondContact O-NZ 2.85Å; A250-E303 HydrophobicContact CB-CG 4.21Å; A250-C304 HydrophobicContact CB-CB 3.97Å |
| 251 | Q | 89 | Confident | 93.4 | Very high | 19 Ų | 19 | 45.4 Ų | 45.4 | 9% | 0.089 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 8.8 | 171.1 | -71.9 | 171.4 | -20.3 | 0 | 0 | 113.1 | M84 R227 H247 L248 L249 F253 | M84-Q251 VanDerWaalsContact CE-OE1 3.23Å; R227-Q251 PolarHBondContact NH1-O 3.46Å; H247-Q251 PolarHBondContact CD2-OE1 2.84Å; H247-Q251 PolarHBondContact NE2-NE2 3.48Å; H247-Q251 PolarHBondContact NE2-OE1 3.46Å; H247-Q251 PolarHBondContact O-N 3.4Å; L248-Q251 PolarHBondContact O-N 3.44Å; L248-Q251 VanDerWaalsContact O-N 3.12Å; L249-Q251 PolarHBondContact O-N 3.43Å; Q251-F253 HydrophobicContact CB-CD2 4.12Å; Q251-F253 HydrophobicContact CB-CE2 4.3Å |
| 252 | G | 91.4 | Very high | 93.3 | Very high | 40 Ų | 40 | 49.2 Ų | 49.2 | 41% | 0.412 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84 | 12.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | L248 L249 | L248-G252 PolarHBondContact O-N 3.41Å; L249-G252 WeakPolarHBondContact O-CA 3.3Å; L249-G252 PolarHBondContact O-N 2.83Å |
| 253 | F | 94.3 | Very high | 93.1 | Very high | 3 Ų | 3 | 51.6 Ų | 51.6 | 1% | 0.013 | 27% | 0.269 | C | S | . | . | trans | -70.2 | 149.5 | 169.9 | -70.1 | -113.1 | 0 | 0 | 0 | 110.6 | M84 V179 R227 I229 L248 L249 Q251 | M84-F253 HydrophobicContact CE-CE2 4.49Å; M84-F253 HydrophobicContact CG-CE2 4.22Å; M84-F253 HydrophobicContact SD-CE2 3.57Å; M84-F253 VanDerWaalsContact SD-CE2 3.57Å; M84-F253 HydrophobicContact SD-CZ 3.49Å; M84-F253 WeakPolarHBondContact SD-CZ 3.41Å; V179-F253 HydrophobicContact CB-CE1 4.38Å; V179-F253 HydrophobicContact CG1-CD1 4.3Å; V179-F253 HydrophobicContact CG1-CE1 3.9Å; R227-F253 HydrophobicContact CB-CB 4.34Å; R227-F253 HydrophobicContact CB-CD1 3.73Å; R227-F253 HydrophobicContact CB-CD2 4.17Å; R227-F253 HydrophobicContact CB-CE1 3.95Å; R227-F253 HydrophobicContact CB-CE2 4.38Å; R227-F253 HydrophobicContact CB-CG 3.82Å; R227-F253 HydrophobicContact CB-CZ 4.27Å; R227-F253 HydrophobicContact CG-CE1 4.28Å; R227-F253 HydrophobicContact CG-CE2 4.33Å; R227-F253 HydrophobicContact CG-CZ 4.18Å; R227-F253 CarbonylContact O-C 3.53Å; R227-F253 WeakPolarHBondContact O-CA 3.32Å; R227-F253 WeakPolarHBondContact O-CB 3.42Å; I229-F253 HydrophobicContact CD1-CB 3.97Å; I229-F253 HydrophobicContact CG1-CB 3.62Å; L248-F253 HydrophobicContact CB-CB 4.05Å; L248-F253 HydrophobicContact CB-CD2 4.48Å; L248-F253 HydrophobicContact CB-CG 4.26Å; L248-F253 HydrophobicContact CD2-CD1 4.21Å; L248-F253 HydrophobicContact CD2-CD2 4.1Å; L248-F253 HydrophobicContact CD2-CE1 4.36Å; L248-F253 HydrophobicContact CD2-CE2 4.24Å; L248-F253 HydrophobicContact CD2-CG 4.12Å; L248-F253 HydrophobicContact CD2-CZ 4.38Å; L248-F253 WeakPolarHBondContact O-CB 3.39Å; L248-F253 WeakPolarHBondContact O-CD2 3.46Å; L248-F253 PolarHBondContact O-N 3.4Å; L249-F253 WeakPolarHBondContact CD2-O 3.3Å; Q251-F253 HydrophobicContact CB-CD2 4.12Å; Q251-F253 HydrophobicContact CB-CE2 4.3Å | ||
| 254 | R | 95.5 | Very high | 93 | Very high | 186 Ų | 186 | 52.3 Ų | 52.3 | 70% | 0.702 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126 | 143.9 | -176.2 | -63 | -179.3 | -176.6 | -114.3 | -1.6 | 111.2 | R227 I228 I229 | R227-R254 PolarHBondContact O-N 3.26Å; I228-R254 CarbonylContact C-O 3.58Å; I228-R254 VanDerWaalsContact CA-O 3.32Å; I228-R254 WeakPolarHBondContact CA-O 3.19Å; I229-R254 PolarHBondContact N-O 3.49Å |
| 255 | P | 95.8 | Very high | 93 | Very high | 33 Ų | 33 | 50.5 Ų | 50.5 | 21% | 0.214 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 143.5 | 173 | -24.4 | 36.2 | 0 | 0 | 0 | 112.5 | C257 M261 | P255-C257 VanDerWaalsContact C-N 3.27Å; P255-C257 PolarHBondContact O-N 3.37Å; P255-M261 HydrophobicContact CB-CB 3.68Å; P255-M261 HydrophobicContact CB-CE 3.8Å; P255-M261 HydrophobicContact CB-CG 3.72Å; P255-M261 HydrophobicContact CG-CB 4.08Å; P255-M261 HydrophobicContact CG-CE 4.25Å; P255-M261 HydrophobicContact CG-CG 3.64Å |
| 256 | I | 93.9 | Very high | 92.9 | Very high | 96 Ų | 96 | 56.5 Ų | 56.5 | 49% | 0.492 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -63.7 | -33.4 | 172.7 | -166.3 | 168 | 0 | 0 | 0 | 112.6 | I228 I229 A230 | I228-I256 HydrophobicContact CG2-CB 3.55Å; I228-I256 HydrophobicContact CG2-CD1 4.37Å; I228-I256 HydrophobicContact CG2-CG1 4.01Å; I229-I256 PolarHBondContact O-N 3.33Å; I229-I256 VanDerWaalsContact O-N 3.09Å; A230-I256 HydrophobicContact CB-CB 4.26Å; A230-I256 HydrophobicContact CB-CD1 4.33Å; A230-I256 HydrophobicContact CB-CG2 4Å |
| 257 | C | 92.4 | Very high | 92.8 | Very high | 42 Ų | 42 | 60.1 Ų | 60.1 | 28% | 0.284 | 30% | 0.302 | S | S | . | . | trans | -146.2 | 121.5 | 178.5 | 174.8 | 0 | 0 | 0 | 0 | 109 | P255 T259 E260 M261 | P255-C257 VanDerWaalsContact C-N 3.27Å; P255-C257 PolarHBondContact O-N 3.37Å; C257-T259 PolarHBondContact O-N 2.88Å; C257-E260 HydrophobicContact CB-CB 4.16Å; C257-E260 HydrophobicContact CB-CG 4.28Å; C257-M261 WeakPolarHBondContact O-CB 3.11Å; C257-M261 PolarHBondContact O-N 3.32Å | ||
| 258 | E | 89.8 | Confident | 92.9 | Very high | 158 Ų | 158 | 59.3 Ų | 59.3 | 74% | 0.738 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -65.3 | -39.2 | -178.4 | -64.5 | -167.2 | 163.9 | 0 | 0 | 112.5 | M261 K262 | E258-M261 PolarHBondContact O-N 3.03Å; E258-K262 WeakPolarHBondContact O-CG 3.42Å; E258-K262 PolarHBondContact O-N 3.21Å |
| 259 | T | 88.9 | Confident | 93 | Very high | 118 Ų | 118 | 59.1 Ų | 59.1 | 72% | 0.724 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -64 | -48.3 | -177.9 | -50.5 | 0 | 0 | 0 | 0 | 111.9 | C257 K262 A263 | C257-T259 PolarHBondContact O-N 2.88Å; T259-K262 PolarHBondContact O-N 3.21Å; T259-A263 PolarHBondContact O-N 3.45Å |
| 260 | E | 88.8 | Confident | 92.9 | Very high | 134 Ų | 134 | 59.3 Ų | 59.3 | 63% | 0.626 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -65.8 | -41 | 175.3 | -69.5 | 174 | -175.9 | 0 | 0 | 110.9 | C257 K262 A263 L264 | C257-E260 HydrophobicContact CB-CB 4.16Å; C257-E260 HydrophobicContact CB-CG 4.28Å; E260-K262 VanDerWaalsContact C-N 3.29Å; E260-K262 PolarHBondContact O-N 2.85Å; E260-A263 WeakPolarHBondContact O-CA 3.44Å; E260-A263 WeakPolarHBondContact O-CB 3.29Å; E260-A263 PolarHBondContact O-N 3.12Å; E260-L264 PolarHBondContact O-N 2.77Å |
| 261 | M | 91.8 | Very high | 93.1 | Very high | 9 Ų | 9 | 60.6 Ų | 60.6 | 4% | 0.044 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.7 | -32.7 | 177.9 | -170.5 | 60 | 66.8 | 0 | 0 | 112.7 | I229 Y245 P255 C257 E258 A263 L264 Q265 M268 | I229-M261 HydrophobicContact CB-CE 4.18Å; I229-M261 HydrophobicContact CG2-CE 3.86Å; Y245-M261 HydrophobicContact CD2-SD 4.03Å; Y245-M261 HydrophobicContact CE2-CE 3.82Å; Y245-M261 HydrophobicContact CE2-CG 3.96Å; Y245-M261 HydrophobicContact CE2-SD 3.3Å; Y245-M261 WeakPolarHBondContact CE2-SD 3.33Å; Y245-M261 WeakPolarHBondContact OH-CG 3.4Å; P255-M261 HydrophobicContact CB-CB 3.68Å; P255-M261 HydrophobicContact CB-CE 3.8Å; P255-M261 HydrophobicContact CB-CG 3.72Å; P255-M261 HydrophobicContact CG-CB 4.08Å; P255-M261 HydrophobicContact CG-CE 4.25Å; P255-M261 HydrophobicContact CG-CG 3.64Å; C257-M261 WeakPolarHBondContact O-CB 3.11Å; C257-M261 PolarHBondContact O-N 3.32Å; E258-M261 PolarHBondContact O-N 3.03Å; M261-A263 VanDerWaalsContact C-N 3.25Å; M261-A263 PolarHBondContact O-N 3.32Å; M261-L264 HydrophobicContact CE-CD2 4.14Å; M261-L264 CarbonylContact O-C 3.47Å; M261-L264 PolarHBondContact O-N 3.16Å; M261-L264 VanDerWaalsContact O-N 3.16Å; M261-L264 HydrophobicContact SD-CB 3.99Å; M261-L264 HydrophobicContact SD-CD2 3.85Å; M261-L264 HydrophobicContact SD-CG 4.25Å; M261-Q265 HydrophobicContact CG-CG 4.29Å; M261-Q265 WeakPolarHBondContact O-CB 3.32Å; M261-Q265 VanDerWaalsContact O-CG 3.29Å; M261-Q265 WeakPolarHBondContact O-CG 3.49Å; M261-Q265 PolarHBondContact O-N 3.04Å; M261-M268 HydrophobicContact SD-CE 4.48Å |
| 262 | K | 92.8 | Very high | 93.4 | Very high | 80 Ų | 80 | 59.8 Ų | 59.8 | 35% | 0.348 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.6 | -24 | 171.7 | -74.8 | -71.4 | 175.2 | -164 | 0 | 113 | E258 T259 E260 Q265 R266 E314 | E258-K262 WeakPolarHBondContact O-CG 3.42Å; E258-K262 PolarHBondContact O-N 3.21Å; T259-K262 PolarHBondContact O-N 3.21Å; E260-K262 VanDerWaalsContact C-N 3.29Å; E260-K262 PolarHBondContact O-N 2.85Å; K262-Q265 VanDerWaalsContact NZ-OE1 3.09Å; K262-R266 PolarHBondContact O-NE 3.33Å; K262-R266 PolarHBondContact O-NH2 2.92Å; K262-E314 IonicContact NZ-OE2 3.67Å; K262-E314 PolarHBondContact NZ-OE2 3.5Å |
| 263 | A | 92.6 | Very high | 93.5 | Very high | 49 Ų | 49 | 58.5 Ų | 58.5 | 41% | 0.405 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -76.1 | -42.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | T259 E260 M261 Q265 R266 Y267 | T259-A263 PolarHBondContact O-N 3.45Å; E260-A263 WeakPolarHBondContact O-CA 3.44Å; E260-A263 WeakPolarHBondContact O-CB 3.29Å; E260-A263 PolarHBondContact O-N 3.12Å; M261-A263 VanDerWaalsContact C-N 3.25Å; M261-A263 PolarHBondContact O-N 3.32Å; A263-Q265 PolarHBondContact O-N 2.95Å; A263-R266 WeakPolarHBondContact O-CB 3.49Å; A263-R266 PolarHBondContact O-N 3.45Å; A263-Y267 PolarHBondContact O-N 3.27Å; A263-Y267 VanDerWaalsContact O-N 3.1Å |
| 264 | L | 93.9 | Very high | 93.5 | Very high | 18 Ų | 18 | 63.1 Ų | 63.1 | 9% | 0.094 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.1 | -39.7 | 178.5 | -169.9 | 55.1 | 0 | 0 | 0 | 113.1 | F177 T231 P234 I237 E260 M261 R266 Y267 M268 | F177-L264 HydrophobicContact CE1-CD2 4.37Å; T231-L264 HydrophobicContact CG2-CD1 4.5Å; T231-L264 HydrophobicContact CG2-CD2 3.57Å; P234-L264 HydrophobicContact CB-CD1 3.5Å; I237-L264 HydrophobicContact CD1-CD1 4.29Å; E260-L264 PolarHBondContact O-N 2.77Å; M261-L264 HydrophobicContact CE-CD2 4.14Å; M261-L264 CarbonylContact O-C 3.47Å; M261-L264 PolarHBondContact O-N 3.16Å; M261-L264 VanDerWaalsContact O-N 3.16Å; M261-L264 HydrophobicContact SD-CB 3.99Å; M261-L264 HydrophobicContact SD-CD2 3.85Å; M261-L264 HydrophobicContact SD-CG 4.25Å; L264-R266 PolarHBondContact O-N 3.21Å; L264-Y267 WeakPolarHBondContact O-CB 3.26Å; L264-Y267 PolarHBondContact O-N 2.99Å; L264-M268 HydrophobicContact CD1-CG 4.34Å; L264-M268 HydrophobicContact CG-CE 3.98Å; L264-M268 HydrophobicContact CG-CG 4.31Å; L264-M268 HydrophobicContact CG-SD 4.21Å; L264-M268 WeakPolarHBondContact O-CB 3.45Å; L264-M268 WeakPolarHBondContact O-CG 3.35Å; L264-M268 PolarHBondContact O-N 2.82Å |
| 265 | Q | 95.3 | Very high | 93.4 | Very high | 11 Ų | 11 | 56.6 Ų | 56.6 | 5% | 0.051 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.5 | -45.7 | 174.5 | -73.7 | 171.1 | 17.3 | 0 | 0 | 111.2 | Y245 M261 K262 A263 Y267 M268 C269 V311 S315 | Y245-Q265 HydrophobicContact CE1-CG 3.84Å; Y245-Q265 PolarHBondContact OH-NE2 3.42Å; M261-Q265 HydrophobicContact CG-CG 4.29Å; M261-Q265 WeakPolarHBondContact O-CB 3.32Å; M261-Q265 VanDerWaalsContact O-CG 3.29Å; M261-Q265 WeakPolarHBondContact O-CG 3.49Å; M261-Q265 PolarHBondContact O-N 3.04Å; K262-Q265 VanDerWaalsContact NZ-OE1 3.09Å; A263-Q265 PolarHBondContact O-N 2.95Å; Q265-Y267 VanDerWaalsContact C-N 3.32Å; Q265-Y267 PolarHBondContact O-N 3.09Å; Q265-M268 HydrophobicContact CG-CE 4.29Å; Q265-M268 PolarHBondContact O-N 3.32Å; Q265-C269 WeakPolarHBondContact O-CB 3.47Å; Q265-C269 PolarHBondContact O-N 2.87Å; Q265-C269 PolarHBondContact O-SG 3.32Å; Q265-V311 HydrophobicContact CB-CG1 4.17Å; Q265-V311 HydrophobicContact CG-CG1 4Å; Q265-S315 VanDerWaalsContact CB-OG 3.3Å; Q265-S315 WeakPolarHBondContact CB-OG 3.47Å; Q265-S315 PolarHBondContact OE1-OG 2.83Å; Q265-S315 VanDerWaalsContact OE1-OG 3.09Å |
| 266 | R | 93.9 | Very high | 93.3 | Very high | 129 Ų | 129 | 56.3 Ų | 56.3 | 49% | 0.487 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.2 | -42.7 | 175 | -77.1 | 176.3 | -79.6 | 165.5 | -5.7 | 111.9 | K262 A263 L264 S270 S315 | K262-R266 PolarHBondContact O-NE 3.33Å; K262-R266 PolarHBondContact O-NH2 2.92Å; A263-R266 WeakPolarHBondContact O-CB 3.49Å; A263-R266 PolarHBondContact O-N 3.45Å; L264-R266 PolarHBondContact O-N 3.21Å; R266-S270 WeakPolarHBondContact O-CB 3.42Å; R266-S270 PolarHBondContact O-N 3.31Å; R266-S315 WeakPolarHBondContact CA-O 3.31Å; R266-S315 VanDerWaalsContact CG-O 3.31Å; R266-S315 WeakPolarHBondContact CG-O 3.3Å |
| 267 | Y | 94.5 | Very high | 93.3 | Very high | 77 Ų | 77 | 56.2 Ų | 56.2 | 30% | 0.302 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.1 | -49.7 | 175.6 | -176.5 | -93.3 | 0 | 0 | 0 | 112 | P234 E235 I237 A263 L264 Q265 C269 S270 R271 | P234-Y267 WeakPolarHBondContact O-CD1 3.47Å; P234-Y267 WeakPolarHBondContact O-CE1 3.33Å; E235-Y267 WeakPolarHBondContact CA-OH 3.27Å; E235-Y267 PolarHBondContact O-OH 3.18Å; E235-Y267 VanDerWaalsContact O-OH 3.04Å; I237-Y267 HydrophobicContact CB-CE1 4.44Å; A263-Y267 PolarHBondContact O-N 3.27Å; A263-Y267 VanDerWaalsContact O-N 3.1Å; L264-Y267 WeakPolarHBondContact O-CB 3.26Å; L264-Y267 PolarHBondContact O-N 2.99Å; Q265-Y267 VanDerWaalsContact C-N 3.32Å; Q265-Y267 PolarHBondContact O-N 3.09Å; Y267-C269 PolarHBondContact O-N 3.2Å; Y267-S270 PolarHBondContact O-N 3.46Å; Y267-R271 HydrophobicContact CD1-CG 3.85Å; Y267-R271 HydrophobicContact CE1-CG 3.34Å; Y267-R271 HydrophobicContact CE2-CG 4.13Å; Y267-R271 HydrophobicContact CG-CG 4.4Å; Y267-R271 WeakPolarHBondContact O-CB 3.42Å; Y267-R271 WeakPolarHBondContact O-CG 3.39Å; Y267-R271 PolarHBondContact O-N 3.38Å |
| 268 | M | 96 | Very high | 93.3 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.1 | -41.4 | 179 | -71 | -173.8 | -60.8 | 0 | 0 | 112.4 | F177 I237 L242 Y245 M261 L264 Q265 R271 F272 | F177-M268 HydrophobicContact CZ-SD 4.08Å; I237-M268 HydrophobicContact CG2-CG 4.09Å; L242-M268 HydrophobicContact CB-CB 4.1Å; L242-M268 HydrophobicContact CD1-CB 4.04Å; Y245-M268 HydrophobicContact CD1-CE 3.67Å; Y245-M268 HydrophobicContact CD2-CE 3.86Å; Y245-M268 HydrophobicContact CE1-CE 4.24Å; Y245-M268 HydrophobicContact CE2-CE 4.42Å; Y245-M268 HydrophobicContact CG-CE 3.46Å; Y245-M268 VanDerWaalsContact CG-CE 3.46Å; Y245-M268 HydrophobicContact CG-SD 4.18Å; M261-M268 HydrophobicContact SD-CE 4.48Å; L264-M268 HydrophobicContact CD1-CG 4.34Å; L264-M268 HydrophobicContact CG-CE 3.98Å; L264-M268 HydrophobicContact CG-CG 4.31Å; L264-M268 HydrophobicContact CG-SD 4.21Å; L264-M268 WeakPolarHBondContact O-CB 3.45Å; L264-M268 WeakPolarHBondContact O-CG 3.35Å; L264-M268 PolarHBondContact O-N 2.82Å; Q265-M268 HydrophobicContact CG-CE 4.29Å; Q265-M268 PolarHBondContact O-N 3.32Å; M268-R271 PolarHBondContact O-N 3.06Å; M268-F272 WeakPolarHBondContact O-CB 3.5Å; M268-F272 PolarHBondContact O-N 3.41Å |
| 269 | C | 95.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.6 | -49.6 | 171.8 | -70.4 | 0 | 0 | 0 | 0 | 111.4 | Q265 Y267 R271 F272 F273 | Q265-C269 WeakPolarHBondContact O-CB 3.47Å; Q265-C269 PolarHBondContact O-N 2.87Å; Q265-C269 PolarHBondContact O-SG 3.32Å; Y267-C269 PolarHBondContact O-N 3.2Å; C269-R271 PolarHBondContact O-N 3.28Å; C269-F272 WeakPolarHBondContact O-CB 3.47Å; C269-F272 PolarHBondContact O-N 2.88Å; C269-F272 VanDerWaalsContact O-N 3.14Å; C269-F273 WeakPolarHBondContact O-CD2 3.45Å; C269-F273 PolarHBondContact O-N 3.13Å; C269-F273 VanDerWaalsContact O-N 3.1Å |
| 270 | S | 93.7 | Very high | 93.9 | Very high | 42 Ų | 42 | 50 Ų | 50 | 29% | 0.294 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58.5 | -45 | 177 | 179.9 | 0 | 0 | 0 | 0 | 112.4 | R266 Y267 F272 F273 I274 | R266-S270 WeakPolarHBondContact O-CB 3.42Å; R266-S270 PolarHBondContact O-N 3.31Å; Y267-S270 PolarHBondContact O-N 3.46Å; S270-F272 VanDerWaalsContact C-N 3.33Å; S270-F272 PolarHBondContact O-N 3.23Å; S270-F273 PolarHBondContact O-N 3.02Å; S270-I274 WeakPolarHBondContact O-CD1 3.5Å; S270-I274 VanDerWaalsContact O-CG1 3.23Å; S270-I274 WeakPolarHBondContact O-CG1 3.43Å; S270-I274 PolarHBondContact O-N 3.07Å |
| 271 | R | 94.9 | Very high | 94.2 | Very high | 29 Ų | 29 | 47.1 Ų | 47.1 | 11% | 0.109 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.3 | -34 | 175.7 | -68.8 | -57.9 | -56.3 | 144.2 | 16 | 113.1 | Y267 M268 C269 I274 D275 | Y267-R271 HydrophobicContact CD1-CG 3.85Å; Y267-R271 HydrophobicContact CE1-CG 3.34Å; Y267-R271 HydrophobicContact CE2-CG 4.13Å; Y267-R271 HydrophobicContact CG-CG 4.4Å; Y267-R271 WeakPolarHBondContact O-CB 3.42Å; Y267-R271 WeakPolarHBondContact O-CG 3.39Å; Y267-R271 PolarHBondContact O-N 3.38Å; M268-R271 PolarHBondContact O-N 3.06Å; C269-R271 PolarHBondContact O-N 3.28Å; R271-I274 PolarHBondContact O-N 2.93Å; R271-D275 IonicContact CZ-OD1 2.6Å; R271-D275 IonicContact CZ-OD2 2.72Å; R271-D275 IonicContact NE-OD2 3.54Å; R271-D275 IonicContact NH1-OD1 2.84Å; R271-D275 IonicContact NH2-OD1 2.62Å; R271-D275 PolarHBondContact NH2-OD1 3.32Å; R271-D275 IonicContact NH2-OD2 3.92Å; R271-D275 PolarHBondContact NH2-OD2 2.95Å; R271-D275 VanDerWaalsContact O-CB 3.3Å; R271-D275 WeakPolarHBondContact O-CB 3.26Å; R271-D275 PolarHBondContact O-N 3.37Å |
| 272 | F | 95.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 0% | 0.004 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.8 | -48.6 | 174.1 | -179.6 | -90.7 | 0 | 0 | 0 | 111.7 | L242 L243 M268 C269 S270 I274 D275 F276 Q282 T327 | L242-F272 HydrophobicContact CB-CB 4.37Å; L242-F272 HydrophobicContact CB-CD2 4.43Å; L242-F272 HydrophobicContact CD2-CB 3.71Å; L242-F272 HydrophobicContact CD2-CD1 4.34Å; L242-F272 HydrophobicContact CD2-CD2 4.01Å; L242-F272 HydrophobicContact CD2-CG 3.76Å; L243-F272 HydrophobicContact CD2-CD2 4.49Å; L243-F272 HydrophobicContact CD2-CE2 3.95Å; L243-F272 HydrophobicContact CG-CE2 4.33Å; M268-F272 WeakPolarHBondContact O-CB 3.5Å; M268-F272 PolarHBondContact O-N 3.41Å; C269-F272 WeakPolarHBondContact O-CB 3.47Å; C269-F272 PolarHBondContact O-N 2.88Å; C269-F272 VanDerWaalsContact O-N 3.14Å; S270-F272 VanDerWaalsContact C-N 3.33Å; S270-F272 PolarHBondContact O-N 3.23Å; F272-I274 PolarHBondContact O-N 3.07Å; F272-D275 PolarHBondContact O-N 3.39Å; F272-F276 AromaticContact CD2-CD2 3.62Å; F272-F276 HydrophobicContact CD2-CD2 3.62Å; F272-F276 AromaticContact CD2-CE2 3.99Å; F272-F276 HydrophobicContact CD2-CE2 3.99Å; F272-F276 AromaticContact CE2-CD2 3.67Å; F272-F276 HydrophobicContact CE2-CD2 3.67Å; F272-F276 HydrophobicContact CE2-CE2 4.14Å; F272-F276 HydrophobicContact CG-CD2 4.2Å; F272-F276 HydrophobicContact CZ-CD2 4.29Å; F272-F276 PolarHBondContact O-N 3.41Å; F272-Q282 HydrophobicContact CE1-CG 3.82Å; F272-Q282 HydrophobicContact CZ-CB 4.32Å; F272-Q282 HydrophobicContact CZ-CG 3.94Å; F272-T327 HydrophobicContact CE1-CG2 4.16Å |
| 273 | F | 93.9 | Very high | 94.6 | Very high | 14 Ų | 14 | 46 Ų | 46 | 6% | 0.061 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.9 | -30.1 | 177.2 | -67.1 | -69.7 | 0 | 0 | 0 | 113.7 | C269 S270 S277 V312 T316 M320 E323 T327 | C269-F273 WeakPolarHBondContact O-CD2 3.45Å; C269-F273 PolarHBondContact O-N 3.13Å; C269-F273 VanDerWaalsContact O-N 3.1Å; S270-F273 PolarHBondContact O-N 3.02Å; F273-S277 VanDerWaalsContact O-CA 3.3Å; F273-S277 WeakPolarHBondContact O-CA 3.39Å; F273-S277 PolarHBondContact O-N 2.98Å; F273-V312 HydrophobicContact CZ-CG1 4.23Å; F273-T316 HydrophobicContact CD2-CG2 4.46Å; F273-T316 HydrophobicContact CE2-CG2 3.7Å; F273-T316 HydrophobicContact CZ-CG2 4.24Å; F273-M320 HydrophobicContact CB-CE 4.34Å; F273-M320 HydrophobicContact CB-SD 3.84Å; F273-M320 HydrophobicContact CD2-CE 3.44Å; F273-M320 VanDerWaalsContact CD2-CE 3.44Å; F273-M320 HydrophobicContact CD2-SD 3.97Å; F273-M320 HydrophobicContact CE2-CE 4.07Å; F273-M320 HydrophobicContact CG-CE 4.14Å; F273-M320 HydrophobicContact CG-SD 4.05Å; F273-E323 HydrophobicContact CD1-CB 4.12Å; F273-E323 HydrophobicContact CE1-CB 4.01Å; F273-T327 HydrophobicContact CE1-CG2 4.48Å; F273-T327 WeakPolarHBondContact CE1-OG1 3.31Å |
| 274 | I | 93.2 | Very high | 94.8 | Very high | 100 Ų | 100 | 50.9 Ų | 50.9 | 51% | 0.513 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -72.3 | -41.4 | 174.8 | -68 | 162.6 | 0 | 0 | 0 | 111.5 | S270 R271 F272 | S270-I274 WeakPolarHBondContact O-CD1 3.5Å; S270-I274 VanDerWaalsContact O-CG1 3.23Å; S270-I274 WeakPolarHBondContact O-CG1 3.43Å; S270-I274 PolarHBondContact O-N 3.07Å; R271-I274 PolarHBondContact O-N 2.93Å; F272-I274 PolarHBondContact O-N 3.07Å |
| 275 | D | 94.3 | Very high | 94.8 | Very high | 49 Ų | 49 | 54 Ų | 54 | 26% | 0.262 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -84.3 | -21.2 | -177.1 | -68.6 | -25.3 | 0 | 0 | 0 | 113.1 | G239 R271 F272 | G239-D275 PolarHBondContact N-OD2 2.86Å; R271-D275 IonicContact CZ-OD1 2.6Å; R271-D275 IonicContact CZ-OD2 2.72Å; R271-D275 IonicContact NE-OD2 3.54Å; R271-D275 IonicContact NH1-OD1 2.84Å; R271-D275 IonicContact NH2-OD1 2.62Å; R271-D275 PolarHBondContact NH2-OD1 3.32Å; R271-D275 IonicContact NH2-OD2 3.92Å; R271-D275 PolarHBondContact NH2-OD2 2.95Å; R271-D275 VanDerWaalsContact O-CB 3.3Å; R271-D275 WeakPolarHBondContact O-CB 3.26Å; R271-D275 PolarHBondContact O-N 3.37Å; F272-D275 PolarHBondContact O-N 3.39Å |
| 276 | F | 94.5 | Very high | 94.9 | Very high | 26 Ų | 26 | 53.7 Ų | 53.7 | 11% | 0.114 | 26% | 0.262 | C | S | . | . | trans | -135.4 | 72.2 | 177.5 | -46.2 | -60.7 | 0 | 0 | 0 | 109.9 | F272 E281 Q282 K285 | F272-F276 AromaticContact CD2-CD2 3.62Å; F272-F276 HydrophobicContact CD2-CD2 3.62Å; F272-F276 AromaticContact CD2-CE2 3.99Å; F272-F276 HydrophobicContact CD2-CE2 3.99Å; F272-F276 AromaticContact CE2-CD2 3.67Å; F272-F276 HydrophobicContact CE2-CD2 3.67Å; F272-F276 HydrophobicContact CE2-CE2 4.14Å; F272-F276 HydrophobicContact CG-CD2 4.2Å; F272-F276 HydrophobicContact CZ-CD2 4.29Å; F272-F276 PolarHBondContact O-N 3.41Å; F276-E281 HydrophobicContact CB-CG 4.39Å; F276-E281 HydrophobicContact CD1-CG 4.01Å; F276-Q282 HydrophobicContact CB-CG 3.83Å; F276-Q282 WeakPolarHBondContact O-CG 3.06Å; F276-Q282 PolarHBondContact O-NE2 2.93Å; F276-K285 HydrophobicContact CD1-CG 4.46Å; F276-K285 HydrophobicContact CD2-CG 4.5Å; F276-K285 HydrophobicContact CE1-CD 4.2Å; F276-K285 HydrophobicContact CE1-CG 4.11Å; F276-K285 HydrophobicContact CE2-CG 4.14Å; F276-K285 HydrophobicContact CZ-CD 4.1Å; F276-K285 HydrophobicContact CZ-CG 3.95Å | ||
| 277 | S | 92.3 | Very high | 94.9 | Very high | 95 Ų | 95 | 51.1 Ų | 51.1 | 66% | 0.664 | 26% | 0.255 | S | S | * | . | trans | -73.9 | -24.9 | -174.9 | 56.3 | 0 | 0 | 0 | 0 | 113.8 | F273 | F273-S277 VanDerWaalsContact O-CA 3.3Å; F273-S277 WeakPolarHBondContact O-CA 3.39Å; F273-S277 PolarHBondContact O-N 2.98Å | ||
| 278 | D | 93.9 | Very high | 94.8 | Very high | 72 Ų | 72 | 49.5 Ų | 49.5 | 39% | 0.385 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -91.8 | 139.8 | 179.1 | 171.2 | -111.8 | 0 | 0 | 0 | 112.7 | C280 E281 Q282 | D278-C280 PolarHBondContact O-N 3.06Å; D278-C280 WeakPolarHBondContact OD1-CA 3.26Å; D278-C280 VanDerWaalsContact OD1-CB 3.23Å; D278-C280 WeakPolarHBondContact OD1-CB 3.36Å; D278-C280 PolarHBondContact OD1-N 2.89Å; D278-E281 HydrophobicContact CB-CB 4.14Å; D278-E281 PolarHBondContact O-N 3.39Å; D278-E281 PolarHBondContact OD1-N 3.44Å; D278-Q282 WeakPolarHBondContact O-CG 3.42Å; D278-Q282 PolarHBondContact O-N 3.08Å |
| 279 | I | 95.1 | Very high | 94.6 | Very high | 49 Ų | 49 | 50.8 Ų | 50.8 | 25% | 0.251 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -69.3 | -32.6 | -177.5 | -166.4 | 63 | 0 | 0 | 0 | 112.6 | Q282 Q283 Q326 L330 | I279-Q282 PolarHBondContact O-N 3.46Å; I279-Q283 WeakPolarHBondContact O-CB 3.22Å; I279-Q283 PolarHBondContact O-N 3.29Å; I279-Q326 HydrophobicContact CD1-CB 4.01Å; I279-Q326 HydrophobicContact CG1-CB 4.47Å; I279-L330 HydrophobicContact CD1-CB 4.11Å; I279-L330 HydrophobicContact CD1-CD2 3.61Å; I279-L330 HydrophobicContact CG1-CD2 4.28Å |
| 280 | C | 95.9 | Very high | 94.4 | Very high | 67 Ų | 67 | 51.6 Ų | 51.6 | 45% | 0.453 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -75.7 | -27.6 | 176.6 | -59.7 | 0 | 0 | 0 | 0 | 111.6 | D278 R284 | D278-C280 PolarHBondContact O-N 3.06Å; D278-C280 WeakPolarHBondContact OD1-CA 3.26Å; D278-C280 VanDerWaalsContact OD1-CB 3.23Å; D278-C280 WeakPolarHBondContact OD1-CB 3.36Å; D278-C280 PolarHBondContact OD1-N 2.89Å; C280-R284 WeakPolarHBondContact O-CB 3.14Å; C280-R284 VanDerWaalsContact O-CG 3.29Å; C280-R284 WeakPolarHBondContact O-CG 3.18Å; C280-R284 PolarHBondContact O-N 3.39Å; C280-R284 PolarHBondContact O-NE 2.73Å |
| 281 | E | 94.9 | Very high | 94.1 | Very high | 72 Ų | 72 | 55.4 Ų | 55.4 | 34% | 0.336 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -68.2 | -47.2 | 165.3 | -175.6 | 167.2 | -146.2 | 0 | 0 | 112.1 | F276 D278 Q283 R284 K285 | F276-E281 HydrophobicContact CB-CG 4.39Å; F276-E281 HydrophobicContact CD1-CG 4.01Å; D278-E281 HydrophobicContact CB-CB 4.14Å; D278-E281 PolarHBondContact O-N 3.39Å; D278-E281 PolarHBondContact OD1-N 3.44Å; E281-Q283 VanDerWaalsContact C-N 3.32Å; E281-Q283 PolarHBondContact O-N 3.02Å; E281-R284 PolarHBondContact O-N 3.49Å; E281-K285 WeakPolarHBondContact O-CB 3.39Å; E281-K285 PolarHBondContact O-N 2.84Å |
| 282 | Q | 96.3 | Very high | 93.6 | Very high | 4 Ų | 4 | 56.8 Ų | 56.8 | 2% | 0.019 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -56.9 | -45 | 175.1 | -69.4 | 174.8 | 23.8 | 0 | 0 | 111.7 | F272 F276 D278 I279 K285 L286 T327 L330 | F272-Q282 HydrophobicContact CE1-CG 3.82Å; F272-Q282 HydrophobicContact CZ-CB 4.32Å; F272-Q282 HydrophobicContact CZ-CG 3.94Å; F276-Q282 HydrophobicContact CB-CG 3.83Å; F276-Q282 WeakPolarHBondContact O-CG 3.06Å; F276-Q282 PolarHBondContact O-NE2 2.93Å; D278-Q282 WeakPolarHBondContact O-CG 3.42Å; D278-Q282 PolarHBondContact O-N 3.08Å; I279-Q282 PolarHBondContact O-N 3.46Å; Q282-K285 PolarHBondContact O-N 3.28Å; Q282-L286 WeakPolarHBondContact O-CB 3.35Å; Q282-L286 VanDerWaalsContact O-CG 3.29Å; Q282-L286 WeakPolarHBondContact O-CG 3.29Å; Q282-L286 PolarHBondContact O-N 3.38Å; Q282-T327 PolarHBondContact OE1-OG1 3.3Å; Q282-L330 HydrophobicContact CB-CD2 3.96Å |
| 283 | Q | 97.1 | Very high | 93.2 | Very high | 61 Ų | 61 | 59.7 Ų | 59.7 | 29% | 0.285 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.2 | -57.9 | 176.7 | 177.1 | 172.5 | -4.2 | 0 | 0 | 111.4 | I279 E281 K285 L286 E287 L330 | I279-Q283 WeakPolarHBondContact O-CB 3.22Å; I279-Q283 PolarHBondContact O-N 3.29Å; E281-Q283 VanDerWaalsContact C-N 3.32Å; E281-Q283 PolarHBondContact O-N 3.02Å; Q283-K285 PolarHBondContact O-N 3.39Å; Q283-K285 VanDerWaalsContact O-N 3.17Å; Q283-L286 PolarHBondContact O-N 2.86Å; Q283-L286 VanDerWaalsContact O-N 3.08Å; Q283-E287 HydrophobicContact CG-CG 4.3Å; Q283-E287 WeakPolarHBondContact CG-OE1 3.23Å; Q283-E287 PolarHBondContact NE2-OE1 2.84Å; Q283-E287 WeakPolarHBondContact O-CG 3.49Å; Q283-E287 PolarHBondContact O-N 3.17Å; Q283-L330 HydrophobicContact CB-CD1 3.77Å; Q283-L330 HydrophobicContact CB-CD2 3.99Å; Q283-L330 HydrophobicContact CG-CD1 3.89Å |
| 284 | R | 95.8 | Very high | 92.8 | Very high | 153 Ų | 153 | 59 Ų | 59 | 58% | 0.577 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -55.9 | -36.2 | 178.2 | -73 | 177.7 | -65.2 | 147.3 | -0.1 | 112 | C280 E281 A288 | C280-R284 WeakPolarHBondContact O-CB 3.14Å; C280-R284 VanDerWaalsContact O-CG 3.29Å; C280-R284 WeakPolarHBondContact O-CG 3.18Å; C280-R284 PolarHBondContact O-N 3.39Å; C280-R284 PolarHBondContact O-NE 2.73Å; E281-R284 PolarHBondContact O-N 3.49Å; R284-A288 WeakPolarHBondContact O-CB 3.36Å; R284-A288 PolarHBondContact O-N 2.97Å |
| 285 | K | 95.1 | Very high | 92.2 | Very high | 83 Ų | 83 | 56.8 Ų | 56.8 | 36% | 0.361 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -70.2 | -40.6 | 179.2 | -173.7 | 60.6 | 178.1 | 179.5 | 0 | 112.2 | L243 F276 E281 Q282 Q283 Y289 | L243-K285 HydrophobicContact CD1-CG 4.17Å; F276-K285 HydrophobicContact CD1-CG 4.46Å; F276-K285 HydrophobicContact CD2-CG 4.5Å; F276-K285 HydrophobicContact CE1-CD 4.2Å; F276-K285 HydrophobicContact CE1-CG 4.11Å; F276-K285 HydrophobicContact CE2-CG 4.14Å; F276-K285 HydrophobicContact CZ-CD 4.1Å; F276-K285 HydrophobicContact CZ-CG 3.95Å; E281-K285 WeakPolarHBondContact O-CB 3.39Å; E281-K285 PolarHBondContact O-N 2.84Å; Q282-K285 PolarHBondContact O-N 3.28Å; Q283-K285 PolarHBondContact O-N 3.39Å; Q283-K285 VanDerWaalsContact O-N 3.17Å; K285-Y289 VanDerWaalsContact O-CB 3.26Å; K285-Y289 WeakPolarHBondContact O-CB 3.5Å; K285-Y289 PolarHBondContact O-N 3.27Å |
| 286 | L | 96.2 | Very high | 91.5 | Very high | 5 Ų | 5 | 57.5 Ų | 57.5 | 3% | 0.026 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -68.8 | -49.3 | 176.4 | -71.8 | 172.3 | 0 | 0 | 0 | 111.5 | L243 Q282 Q283 A288 Y289 L290 L308 L330 I331 L334 | L243-L286 HydrophobicContact CD1-CD2 4.33Å; L243-L286 HydrophobicContact CD2-CD2 3.51Å; Q282-L286 WeakPolarHBondContact O-CB 3.35Å; Q282-L286 VanDerWaalsContact O-CG 3.29Å; Q282-L286 WeakPolarHBondContact O-CG 3.29Å; Q282-L286 PolarHBondContact O-N 3.38Å; Q283-L286 PolarHBondContact O-N 2.86Å; Q283-L286 VanDerWaalsContact O-N 3.08Å; L286-A288 PolarHBondContact O-N 3.02Å; L286-Y289 PolarHBondContact O-N 3.45Å; L286-L290 WeakPolarHBondContact O-CG 3.49Å; L286-L290 PolarHBondContact O-N 3.41Å; L286-L308 HydrophobicContact CD2-CD2 3.47Å; L286-L308 VanDerWaalsContact CD2-CD2 3.47Å; L286-L330 HydrophobicContact CD1-CD2 4.06Å; L286-L330 HydrophobicContact CD1-CG 4.28Å; L286-I331 HydrophobicContact CD1-CG1 4.12Å; L286-L334 HydrophobicContact CB-CD1 3.73Å; L286-L334 HydrophobicContact CD1-CD1 3.86Å; L286-L334 HydrophobicContact CG-CD1 4.44Å |
| 287 | E | 94.6 | Very high | 91 | Very high | 74 Ų | 74 | 58.1 Ų | 58.1 | 35% | 0.346 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -56 | -49.7 | 176 | -69.9 | 168 | 172.1 | 0 | 0 | 111.1 | Q283 Y289 L290 Q291 L334 | Q283-E287 HydrophobicContact CG-CG 4.3Å; Q283-E287 WeakPolarHBondContact CG-OE1 3.23Å; Q283-E287 PolarHBondContact NE2-OE1 2.84Å; Q283-E287 WeakPolarHBondContact O-CG 3.49Å; Q283-E287 PolarHBondContact O-N 3.17Å; E287-Y289 VanDerWaalsContact C-N 3.31Å; E287-Y289 PolarHBondContact O-N 2.91Å; E287-L290 PolarHBondContact O-N 2.62Å; E287-Q291 WeakPolarHBondContact O-CB 3.47Å; E287-Q291 PolarHBondContact O-N 3.02Å; E287-L334 HydrophobicContact CG-CD2 3.94Å |
| 288 | A | 91.4 | Very high | 90.7 | Very high | 44 Ų | 44 | 57.4 Ų | 57.4 | 36% | 0.364 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.4 | -35.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R284 L286 N292 | R284-A288 WeakPolarHBondContact O-CB 3.36Å; R284-A288 PolarHBondContact O-N 2.97Å; L286-A288 PolarHBondContact O-N 3.02Å; A288-N292 VanDerWaalsContact O-CB 3.26Å; A288-N292 WeakPolarHBondContact O-CB 3.31Å; A288-N292 VanDerWaalsContact O-CG 3.31Å; A288-N292 PolarHBondContact O-N 3.29Å; A288-N292 VanDerWaalsContact O-N 3.13Å; A288-N292 PolarHBondContact O-ND2 2.82Å |
| 289 | Y | 92.3 | Very high | 90.4 | Very high | 27 Ų | 27 | 60 Ų | 60 | 11% | 0.106 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.7 | -47.1 | 176.8 | -168.9 | -93.4 | 0 | 0 | 0 | 111.3 | L243 K244 H247 K285 L286 E287 N292 H293 F294 | L243-Y289 HydrophobicContact CB-CD1 4.07Å; L243-Y289 HydrophobicContact CB-CD2 3.99Å; L243-Y289 HydrophobicContact CB-CE1 3.97Å; L243-Y289 HydrophobicContact CB-CE2 3.9Å; L243-Y289 HydrophobicContact CB-CG 4.09Å; L243-Y289 HydrophobicContact CD1-CD2 3.98Å; L243-Y289 HydrophobicContact CD1-CG 3.9Å; K244-Y289 WeakPolarHBondContact CA-OH 3.17Å; H247-Y289 HydrophobicContact CB-CE1 4.19Å; H247-Y289 WeakPolarHBondContact CB-OH 3.49Å; K285-Y289 VanDerWaalsContact O-CB 3.26Å; K285-Y289 WeakPolarHBondContact O-CB 3.5Å; K285-Y289 PolarHBondContact O-N 3.27Å; L286-Y289 PolarHBondContact O-N 3.45Å; E287-Y289 VanDerWaalsContact C-N 3.31Å; E287-Y289 PolarHBondContact O-N 2.91Å; Y289-N292 PolarHBondContact O-N 3.17Å; Y289-H293 HydrophobicContact CD1-CB 4.43Å; Y289-H293 AromaticContact CD2-CD2 3.5Å; Y289-H293 VanDerWaalsContact CD2-CD2 3.5Å; Y289-H293 WeakPolarHBondContact CD2-CD2 3.45Å; Y289-H293 AromaticContact CD2-NE2 3.86Å; Y289-H293 HydrophobicContact CE1-CB 4.11Å; Y289-H293 AromaticContact CE2-CD2 3.43Å; Y289-H293 VanDerWaalsContact CE2-CD2 3.43Å; Y289-H293 WeakPolarHBondContact CE2-CD2 3.36Å; Y289-H293 AromaticContact CE2-CG 3.86Å; Y289-H293 AromaticContact CE2-NE2 3.59Å; Y289-H293 AromaticContact CG-CD2 3.96Å; Y289-H293 AromaticContact CZ-CD2 3.85Å; Y289-H293 AromaticContact CZ-CG 3.79Å; Y289-H293 VanDerWaalsContact O-CB 3.31Å; Y289-H293 WeakPolarHBondContact O-CB 3.34Å; Y289-H293 PolarHBondContact O-CD2 3.37Å; Y289-H293 PolarHBondContact O-N 2.91Å; Y289-F294 HydrophobicContact CD1-CE2 4.31Å; Y289-F294 HydrophobicContact CE1-CE2 4.1Å |
| 290 | L | 91.7 | Very high | 90.1 | Very high | 16 Ų | 16 | 59.9 Ų | 59.9 | 8% | 0.084 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.1 | -49.3 | 177.5 | -68.6 | 172.7 | 0 | 0 | 0 | 111.7 | L286 E287 N292 F294 R301 L305 | L286-L290 WeakPolarHBondContact O-CG 3.49Å; L286-L290 PolarHBondContact O-N 3.41Å; E287-L290 PolarHBondContact O-N 2.62Å; L290-N292 VanDerWaalsContact C-N 3.33Å; L290-N292 PolarHBondContact O-N 3.21Å; L290-F294 HydrophobicContact CD2-CD2 4.13Å; L290-F294 HydrophobicContact CD2-CE2 4.12Å; L290-F294 WeakPolarHBondContact O-CB 3.4Å; L290-F294 PolarHBondContact O-N 2.97Å; L290-R301 HydrophobicContact CD2-CB 4.16Å; L290-R301 HydrophobicContact CD2-CG 4.24Å; L290-L305 HydrophobicContact CD1-CD1 3.92Å; L290-L305 HydrophobicContact CD1-CD2 4.18Å; L290-L305 HydrophobicContact CD1-CG 4.28Å; L290-L305 HydrophobicContact CD2-CD1 4.47Å; L290-L305 HydrophobicContact CD2-CG 4.23Å |
| 291 | Q | 87.7 | Confident | 90 | Very high | 123 Ų | 123 | 57.9 Ų | 57.9 | 58% | 0.575 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -64.6 | -37.1 | -178.2 | -175.7 | 60.7 | 10.1 | 0 | 0 | 112.6 | E287 | E287-Q291 WeakPolarHBondContact O-CB 3.47Å; E287-Q291 PolarHBondContact O-N 3.02Å |
| 292 | N | 84.9 | Confident | 90 | Very high | 57 Ų | 57 | 58.6 Ų | 58.6 | 31% | 0.305 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -79.9 | -38.5 | -180 | -75.7 | -57.7 | 0 | 0 | 0 | 113.2 | K87 A288 Y289 L290 | K87-N292 WeakPolarHBondContact CD-O 3.32Å; K87-N292 WeakPolarHBondContact CE-O 3.14Å; A288-N292 VanDerWaalsContact O-CB 3.26Å; A288-N292 WeakPolarHBondContact O-CB 3.31Å; A288-N292 VanDerWaalsContact O-CG 3.31Å; A288-N292 PolarHBondContact O-N 3.29Å; A288-N292 VanDerWaalsContact O-N 3.13Å; A288-N292 PolarHBondContact O-ND2 2.82Å; Y289-N292 PolarHBondContact O-N 3.17Å; L290-N292 VanDerWaalsContact C-N 3.33Å; L290-N292 PolarHBondContact O-N 3.21Å |
| 293 | H | 86.3 | Confident | 89.9 | Confident | 62 Ų | 62 | 62.1 Ų | 62.1 | 29% | 0.287 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -98.8 | -8.1 | -169.7 | -71.3 | -90.9 | 0 | 0 | 0 | 114.8 | H247 Y289 | H247-H293 PolarHBondContact CE1-O 3Å; Y289-H293 HydrophobicContact CD1-CB 4.43Å; Y289-H293 AromaticContact CD2-CD2 3.5Å; Y289-H293 VanDerWaalsContact CD2-CD2 3.5Å; Y289-H293 WeakPolarHBondContact CD2-CD2 3.45Å; Y289-H293 AromaticContact CD2-NE2 3.86Å; Y289-H293 HydrophobicContact CE1-CB 4.11Å; Y289-H293 AromaticContact CE2-CD2 3.43Å; Y289-H293 VanDerWaalsContact CE2-CD2 3.43Å; Y289-H293 WeakPolarHBondContact CE2-CD2 3.36Å; Y289-H293 AromaticContact CE2-CG 3.86Å; Y289-H293 AromaticContact CE2-NE2 3.59Å; Y289-H293 AromaticContact CG-CD2 3.96Å; Y289-H293 AromaticContact CZ-CD2 3.85Å; Y289-H293 AromaticContact CZ-CG 3.79Å; Y289-H293 VanDerWaalsContact O-CB 3.31Å; Y289-H293 WeakPolarHBondContact O-CB 3.34Å; Y289-H293 PolarHBondContact O-CD2 3.37Å; Y289-H293 PolarHBondContact O-N 2.91Å |
| 294 | F | 86.3 | Confident | 89.8 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | trans | -127.6 | 36.9 | -178.6 | -60.7 | -100.4 | 0 | 0 | 0 | 112.4 | H247 Y289 L290 E298 K300 R301 C304 | H247-F294 AromaticContact ND1-CE2 3.58Å; H247-F294 AromaticContact ND1-CZ 3.45Å; H247-F294 WeakPolarHBondContact ND1-CZ 3.44Å; Y289-F294 HydrophobicContact CD1-CE2 4.31Å; Y289-F294 HydrophobicContact CE1-CE2 4.1Å; L290-F294 HydrophobicContact CD2-CD2 4.13Å; L290-F294 HydrophobicContact CD2-CE2 4.12Å; L290-F294 WeakPolarHBondContact O-CB 3.4Å; L290-F294 PolarHBondContact O-N 2.97Å; F294-E298 PolarHBondContact O-N 2.96Å; F294-K300 HydrophobicContact CD1-CB 3.84Å; F294-K300 HydrophobicContact CE1-CB 3.84Å; F294-R301 HydrophobicContact CB-CG 3.45Å; F294-R301 VanDerWaalsContact CB-CG 3.45Å; F294-R301 HydrophobicContact CD1-CG 4.08Å; F294-R301 HydrophobicContact CD2-CG 4.39Å; F294-R301 HydrophobicContact CG-CG 3.74Å; F294-R301 PolarHBondContact O-NE 3.22Å; F294-R301 PolarHBondContact O-NH2 3.45Å; F294-C304 HydrophobicContact CE1-CB 3.9Å; F294-C304 HydrophobicContact CE2-CB 4.35Å; F294-C304 HydrophobicContact CZ-CB 3.47Å; F294-C304 VanDerWaalsContact CZ-CB 3.47Å | ||
| 295 | A | 80 | Confident | 89.9 | Confident | 54 Ų | 54 | 52.5 Ų | 52.5 | 45% | 0.446 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | 124.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | M297 E298 | A295-M297 PolarHBondContact O-N 3.35Å; A295-E298 WeakPolarHBondContact CA-OE1 3.39Å |
| 296 | G | 78.9 | Confident | 90 | Very high | 64 Ų | 64 | 51.4 Ų | 51.4 | 66% | 0.66 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.7 | 3.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | E298 | G296-E298 VanDerWaalsContact C-OE2 3.24Å; G296-E298 VanDerWaalsContact CA-OE2 3.26Å; G296-E298 WeakPolarHBondContact CA-OE2 3.26Å; G296-E298 PolarHBondContact N-OE1 3.3Å; G296-E298 PolarHBondContact N-OE2 2.9Å |
| 297 | M | 84.5 | Confident | 90.1 | Very high | 39 Ų | 39 | 52.3 Ų | 52.3 | 19% | 0.192 | 28% | 0.278 | C | S | . | . | trans | -134.3 | 35.4 | 175.3 | -64 | -170.9 | -64.4 | 0 | 0 | 110.9 | A295 H299 K300 | A295-M297 PolarHBondContact O-N 3.35Å; M297-H299 PolarHBondContact O-N 3.07Å; M297-H299 VanDerWaalsContact O-N 3.16Å; M297-K300 WeakPolarHBondContact O-CB 3.36Å; M297-K300 PolarHBondContact O-N 3.37Å | ||
| 298 | E | 86.5 | Confident | 90.2 | Very high | 80 Ų | 80 | 49 Ų | 49 | 37% | 0.374 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -39.7 | -173.3 | -70.3 | 68 | -155.8 | 0 | 0 | 111.7 | F294 A295 G296 K300 R301 Q342 | F294-E298 PolarHBondContact O-N 2.96Å; A295-E298 WeakPolarHBondContact CA-OE1 3.39Å; G296-E298 VanDerWaalsContact C-OE2 3.24Å; G296-E298 VanDerWaalsContact CA-OE2 3.26Å; G296-E298 WeakPolarHBondContact CA-OE2 3.26Å; G296-E298 PolarHBondContact N-OE1 3.3Å; G296-E298 PolarHBondContact N-OE2 2.9Å; E298-K300 PolarHBondContact O-N 3.23Å; E298-K300 VanDerWaalsContact O-N 3.13Å; E298-R301 VanDerWaalsContact O-CB 3.25Å; E298-R301 WeakPolarHBondContact O-CB 3.46Å; E298-R301 VanDerWaalsContact O-CG 3.24Å; E298-R301 WeakPolarHBondContact O-CG 3.11Å; E298-R301 PolarHBondContact O-N 2.81Å; E298-R301 IonicContact OE1-NH2 3.86Å; E298-Q342 PolarHBondContact O-NE2 3.45Å |
| 299 | H | 86.7 | Confident | 90.5 | Very high | 126 Ų | 126 | 49.5 Ų | 49.5 | 58% | 0.583 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -26 | 176.8 | 68.1 | -82.7 | 0 | 0 | 0 | 114 | M297 | M297-H299 PolarHBondContact O-N 3.07Å; M297-H299 VanDerWaalsContact O-N 3.16Å |
| 300 | K | 90.2 | Very high | 90.7 | Very high | 47 Ų | 47 | 53.2 Ų | 53.2 | 20% | 0.204 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -83.7 | -10.1 | 176.9 | -74.1 | -65.4 | -168.1 | 166.6 | 0 | 114.4 | A250 F294 M297 E298 Y302 E303 C304 | A250-K300 WeakPolarHBondContact O-CD 3.49Å; A250-K300 WeakPolarHBondContact O-CE 3.23Å; A250-K300 PolarHBondContact O-NZ 2.85Å; F294-K300 HydrophobicContact CD1-CB 3.84Å; F294-K300 HydrophobicContact CE1-CB 3.84Å; M297-K300 WeakPolarHBondContact O-CB 3.36Å; M297-K300 PolarHBondContact O-N 3.37Å; E298-K300 PolarHBondContact O-N 3.23Å; E298-K300 VanDerWaalsContact O-N 3.13Å; K300-Y302 VanDerWaalsContact C-N 3.34Å; K300-Y302 PolarHBondContact O-N 3.23Å; K300-E303 HydrophobicContact CD-CB 4.47Å; K300-E303 WeakPolarHBondContact CD-OE2 3.12Å; K300-E303 WeakPolarHBondContact CE-OE2 3.15Å; K300-E303 IonicContact NZ-OE1 2.92Å; K300-E303 PolarHBondContact NZ-OE1 3.39Å; K300-E303 IonicContact NZ-OE2 2.68Å; K300-E303 PolarHBondContact NZ-OE2 3.18Å; K300-E303 PolarHBondContact O-N 3.49Å; K300-C304 PolarHBondContact O-N 2.66Å |
| 301 | R | 93.4 | Very high | 91 | Very high | 25 Ų | 25 | 52.8 Ų | 52.8 | 9% | 0.094 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.3 | -44.9 | 179.5 | -68.2 | 173.4 | -175.3 | -165.7 | -2.7 | 111.9 | L290 F294 E298 C304 L305 V338 | L290-R301 HydrophobicContact CD2-CB 4.16Å; L290-R301 HydrophobicContact CD2-CG 4.24Å; F294-R301 HydrophobicContact CB-CG 3.45Å; F294-R301 VanDerWaalsContact CB-CG 3.45Å; F294-R301 HydrophobicContact CD1-CG 4.08Å; F294-R301 HydrophobicContact CD2-CG 4.39Å; F294-R301 HydrophobicContact CG-CG 3.74Å; F294-R301 PolarHBondContact O-NE 3.22Å; F294-R301 PolarHBondContact O-NH2 3.45Å; E298-R301 VanDerWaalsContact O-CB 3.25Å; E298-R301 WeakPolarHBondContact O-CB 3.46Å; E298-R301 VanDerWaalsContact O-CG 3.24Å; E298-R301 WeakPolarHBondContact O-CG 3.11Å; E298-R301 PolarHBondContact O-N 2.81Å; E298-R301 IonicContact OE1-NH2 3.86Å; R301-C304 PolarHBondContact O-N 2.92Å; R301-L305 WeakPolarHBondContact O-CG 3.28Å; R301-L305 PolarHBondContact O-N 3.37Å; R301-V338 HydrophobicContact CB-CG1 3.77Å; R301-V338 HydrophobicContact CB-CG2 4.14Å |
| 302 | Y | 94.3 | Very high | 91.4 | Very high | 87 Ų | 87 | 47 Ų | 47 | 34% | 0.341 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.9 | -46.3 | 179 | 177.4 | -99.5 | 0 | 0 | 0 | 112.1 | K300 C304 L305 M306 A335 L339 | K300-Y302 VanDerWaalsContact C-N 3.34Å; K300-Y302 PolarHBondContact O-N 3.23Å; Y302-C304 VanDerWaalsContact C-N 3.35Å; Y302-C304 PolarHBondContact O-N 2.9Å; Y302-L305 PolarHBondContact O-N 2.96Å; Y302-M306 HydrophobicContact CD1-CG 4.21Å; Y302-M306 HydrophobicContact CD2-CG 4.43Å; Y302-M306 HydrophobicContact CE1-CG 3.69Å; Y302-M306 HydrophobicContact CE2-CE 4Å; Y302-M306 HydrophobicContact CE2-CG 3.93Å; Y302-M306 HydrophobicContact CE2-SD 4.29Å; Y302-M306 WeakPolarHBondContact O-CG 3.36Å; Y302-M306 PolarHBondContact O-N 3.4Å; Y302-A335 HydrophobicContact CD2-CB 3.94Å; Y302-A335 HydrophobicContact CE2-CB 4.02Å; Y302-L339 HydrophobicContact CD2-CD1 3.95Å; Y302-L339 HydrophobicContact CD2-CD2 3.83Å; Y302-L339 HydrophobicContact CD2-CG 3.65Å; Y302-L339 HydrophobicContact CE2-CD1 3.52Å; Y302-L339 HydrophobicContact CE2-CD2 4.09Å; Y302-L339 HydrophobicContact CE2-CG 3.79Å; Y302-L339 HydrophobicContact CG-CD2 4.06Å; Y302-L339 HydrophobicContact CG-CG 4.37Å |
| 303 | E | 94.2 | Very high | 91.9 | Very high | 78 Ų | 78 | 47.7 Ų | 47.7 | 36% | 0.364 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.3 | -41.5 | 178.5 | -171.4 | 178.1 | 151.6 | 0 | 0 | 112.1 | A250 K300 M306 T307 | A250-E303 HydrophobicContact CB-CG 4.21Å; K300-E303 HydrophobicContact CD-CB 4.47Å; K300-E303 WeakPolarHBondContact CD-OE2 3.12Å; K300-E303 WeakPolarHBondContact CE-OE2 3.15Å; K300-E303 IonicContact NZ-OE1 2.92Å; K300-E303 PolarHBondContact NZ-OE1 3.39Å; K300-E303 IonicContact NZ-OE2 2.68Å; K300-E303 PolarHBondContact NZ-OE2 3.18Å; K300-E303 PolarHBondContact O-N 3.49Å; E303-M306 PolarHBondContact O-N 2.95Å; E303-T307 WeakPolarHBondContact O-CB 3.21Å; E303-T307 PolarHBondContact O-N 2.9Å; E303-T307 PolarHBondContact O-OG1 3.39Å |
| 304 | C | 95.9 | Very high | 92.2 | Very high | 7 Ų | 7 | 49.6 Ų | 49.6 | 5% | 0.047 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.6 | -40.5 | 173.9 | -174.2 | 0 | 0 | 0 | 0 | 112.6 | A250 F294 K300 R301 Y302 T307 L308 | A250-C304 HydrophobicContact CB-CB 3.97Å; F294-C304 HydrophobicContact CE1-CB 3.9Å; F294-C304 HydrophobicContact CE2-CB 4.35Å; F294-C304 HydrophobicContact CZ-CB 3.47Å; F294-C304 VanDerWaalsContact CZ-CB 3.47Å; K300-C304 PolarHBondContact O-N 2.66Å; R301-C304 PolarHBondContact O-N 2.92Å; Y302-C304 VanDerWaalsContact C-N 3.35Å; Y302-C304 PolarHBondContact O-N 2.9Å; C304-T307 PolarHBondContact O-N 2.86Å; C304-L308 WeakPolarHBondContact O-CB 3.34Å; C304-L308 PolarHBondContact O-N 3.12Å |
| 305 | L | 97.4 | Very high | 92.6 | Very high | 4 Ų | 4 | 49.9 Ų | 49.9 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67 | -41.9 | 176.6 | -75.4 | 167.5 | 0 | 0 | 0 | 111.9 | L290 R301 Y302 T307 L308 H309 I331 L334 A335 V338 | L290-L305 HydrophobicContact CD1-CD1 3.92Å; L290-L305 HydrophobicContact CD1-CD2 4.18Å; L290-L305 HydrophobicContact CD1-CG 4.28Å; L290-L305 HydrophobicContact CD2-CD1 4.47Å; L290-L305 HydrophobicContact CD2-CG 4.23Å; R301-L305 WeakPolarHBondContact O-CG 3.28Å; R301-L305 PolarHBondContact O-N 3.37Å; Y302-L305 PolarHBondContact O-N 2.96Å; L305-T307 VanDerWaalsContact C-N 3.34Å; L305-T307 PolarHBondContact O-N 3.3Å; L305-L308 PolarHBondContact O-N 3.27Å; L305-H309 WeakPolarHBondContact O-CB 3.29Å; L305-H309 PolarHBondContact O-N 3.06Å; L305-I331 HydrophobicContact CB-CG2 4.16Å; L305-I331 HydrophobicContact CD2-CG2 4.03Å; L305-I331 WeakPolarHBondContact O-CG2 3.32Å; L305-L334 HydrophobicContact CD1-CB 4.1Å; L305-L334 HydrophobicContact CD2-CB 4.33Å; L305-A335 HydrophobicContact CB-CB 4.09Å; L305-A335 HydrophobicContact CD1-CB 4.05Å; L305-V338 HydrophobicContact CD1-CG2 4.06Å |
| 306 | M | 97.2 | Very high | 93.1 | Very high | 61 Ų | 61 | 47.7 Ų | 47.7 | 30% | 0.3 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.6 | -38.8 | 174.9 | -72.2 | -60.5 | 109.5 | 0 | 0 | 112.2 | Y302 E303 H309 Q310 A335 | Y302-M306 HydrophobicContact CD1-CG 4.21Å; Y302-M306 HydrophobicContact CD2-CG 4.43Å; Y302-M306 HydrophobicContact CE1-CG 3.69Å; Y302-M306 HydrophobicContact CE2-CE 4Å; Y302-M306 HydrophobicContact CE2-CG 3.93Å; Y302-M306 HydrophobicContact CE2-SD 4.29Å; Y302-M306 WeakPolarHBondContact O-CG 3.36Å; Y302-M306 PolarHBondContact O-N 3.4Å; E303-M306 PolarHBondContact O-N 2.95Å; M306-H309 WeakPolarHBondContact O-CB 3.42Å; M306-H309 PolarHBondContact O-N 2.92Å; M306-Q310 PolarHBondContact O-N 2.89Å; M306-A335 HydrophobicContact CE-CB 3.38Å |
| 307 | T | 97.2 | Very high | 93.3 | Very high | 24 Ų | 24 | 48.1 Ų | 48.1 | 15% | 0.147 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.9 | -44.4 | 173.8 | -61.9 | 0 | 0 | 0 | 0 | 111.3 | C246 L249 E303 C304 L305 Q310 V311 | C246-T307 HydrophobicContact CB-CG2 4.11Å; L249-T307 HydrophobicContact CB-CG2 3.75Å; L249-T307 HydrophobicContact CD1-CG2 3.47Å; L249-T307 VanDerWaalsContact CD1-CG2 3.47Å; L249-T307 HydrophobicContact CG-CG2 4.29Å; E303-T307 WeakPolarHBondContact O-CB 3.21Å; E303-T307 PolarHBondContact O-N 2.9Å; E303-T307 PolarHBondContact O-OG1 3.39Å; C304-T307 PolarHBondContact O-N 2.86Å; L305-T307 VanDerWaalsContact C-N 3.34Å; L305-T307 PolarHBondContact O-N 3.3Å; T307-Q310 PolarHBondContact O-N 3.2Å; T307-V311 VanDerWaalsContact O-CG2 3.31Å; T307-V311 WeakPolarHBondContact O-CG2 3.41Å; T307-V311 PolarHBondContact O-N 3.21Å |
| 308 | L | 97.8 | Very high | 92.6 | Very high | 5 Ų | 5 | 51.8 Ų | 51.8 | 3% | 0.026 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.7 | -43.7 | 174.4 | -178.5 | 66.1 | 0 | 0 | 0 | 111.8 | L242 L243 C246 L286 C304 L305 Q310 V311 V312 I331 | L242-L308 HydrophobicContact CD1-CD1 4.4Å; L242-L308 HydrophobicContact CD2-CD1 3.84Å; L242-L308 HydrophobicContact CG-CD1 3.77Å; L243-L308 HydrophobicContact CD2-CD1 4.12Å; L243-L308 HydrophobicContact CD2-CD2 3.88Å; C246-L308 HydrophobicContact CB-CB 4.23Å; C246-L308 VanDerWaalsContact SG-CA 3.59Å; L286-L308 HydrophobicContact CD2-CD2 3.47Å; L286-L308 VanDerWaalsContact CD2-CD2 3.47Å; C304-L308 WeakPolarHBondContact O-CB 3.34Å; C304-L308 PolarHBondContact O-N 3.12Å; L305-L308 PolarHBondContact O-N 3.27Å; L308-Q310 VanDerWaalsContact C-N 3.35Å; L308-Q310 PolarHBondContact O-N 3.03Å; L308-V311 PolarHBondContact O-N 3.43Å; L308-V312 HydrophobicContact CD1-CG2 3.98Å; L308-V312 HydrophobicContact CG-CG2 4.3Å; L308-V312 WeakPolarHBondContact O-CB 3.49Å; L308-V312 VanDerWaalsContact O-CG2 3.28Å; L308-V312 WeakPolarHBondContact O-CG2 3.46Å; L308-V312 PolarHBondContact O-N 3.26Å; L308-I331 HydrophobicContact CD2-CD1 3.84Å; L308-I331 HydrophobicContact CD2-CG1 4.02Å; L308-I331 HydrophobicContact CG-CD1 3.79Å; L308-I331 HydrophobicContact CG-CG1 4.44Å |
| 309 | H | 97.8 | Very high | 91.6 | Very high | 53 Ų | 53 | 55.6 Ų | 55.6 | 25% | 0.245 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.1 | -47.7 | 175.2 | -176.1 | -84.1 | 0 | 0 | 0 | 111.3 | L305 M306 N313 L328 I331 | L305-H309 WeakPolarHBondContact O-CB 3.29Å; L305-H309 PolarHBondContact O-N 3.06Å; M306-H309 WeakPolarHBondContact O-CB 3.42Å; M306-H309 PolarHBondContact O-N 2.92Å; H309-N313 VanDerWaalsContact O-CB 3.23Å; H309-N313 WeakPolarHBondContact O-CB 3.17Å; H309-N313 PolarHBondContact O-N 3.22Å; H309-L328 HydrophobicContact CB-CD2 4.43Å; H309-L328 VanDerWaalsContact CD2-CD2 3.46Å; H309-L328 WeakPolarHBondContact CD2-CD2 3.19Å; H309-L328 WeakPolarHBondContact O-CD2 3.4Å; H309-I331 HydrophobicContact CB-CG2 3.81Å |
| 310 | Q | 96.8 | Very high | 91 | Very high | 105 Ų | 105 | 51.4 Ų | 51.4 | 49% | 0.491 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.1 | -50.6 | 177.5 | -175.1 | -180 | -0.1 | 0 | 0 | 111.9 | M306 T307 L308 V312 N313 E314 | M306-Q310 PolarHBondContact O-N 2.89Å; T307-Q310 PolarHBondContact O-N 3.2Å; L308-Q310 VanDerWaalsContact C-N 3.35Å; L308-Q310 PolarHBondContact O-N 3.03Å; Q310-V312 PolarHBondContact O-N 2.99Å; Q310-N313 PolarHBondContact O-N 2.63Å; Q310-E314 HydrophobicContact CG-CG 4.39Å; Q310-E314 WeakPolarHBondContact CG-OE1 3.42Å; Q310-E314 PolarHBondContact NE2-OE1 2.76Å; Q310-E314 WeakPolarHBondContact O-CB 3.39Å; Q310-E314 WeakPolarHBondContact O-CG 3.46Å; Q310-E314 PolarHBondContact O-N 2.9Å |
| 311 | V | 96.3 | Very high | 90.7 | Very high | 7 Ų | 7 | 49.9 Ų | 49.9 | 4% | 0.042 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.9 | -44.2 | -178.5 | 175 | 0 | 0 | 0 | 0 | 111.2 | L242 Y245 L249 Q265 T307 L308 S315 | L242-V311 HydrophobicContact CD1-CG1 3.78Å; Y245-V311 HydrophobicContact CE1-CG1 4.47Å; Y245-V311 HydrophobicContact CE1-CG2 4.02Å; L249-V311 HydrophobicContact CD1-CG2 4.4Å; Q265-V311 HydrophobicContact CB-CG1 4.17Å; Q265-V311 HydrophobicContact CG-CG1 4Å; T307-V311 VanDerWaalsContact O-CG2 3.31Å; T307-V311 WeakPolarHBondContact O-CG2 3.41Å; T307-V311 PolarHBondContact O-N 3.21Å; L308-V311 PolarHBondContact O-N 3.43Å; V311-S315 VanDerWaalsContact O-CB 3.26Å; V311-S315 WeakPolarHBondContact O-CB 3.19Å; V311-S315 PolarHBondContact O-N 2.78Å |
| 312 | V | 96.2 | Very high | 90.4 | Very high | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.006 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.7 | -39.7 | 176.5 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | L242 F273 L308 Q310 T316 R324 T327 L328 I331 | L242-V312 HydrophobicContact CD2-CG2 4.14Å; F273-V312 HydrophobicContact CZ-CG1 4.23Å; L308-V312 HydrophobicContact CD1-CG2 3.98Å; L308-V312 HydrophobicContact CG-CG2 4.3Å; L308-V312 WeakPolarHBondContact O-CB 3.49Å; L308-V312 VanDerWaalsContact O-CG2 3.28Å; L308-V312 WeakPolarHBondContact O-CG2 3.46Å; L308-V312 PolarHBondContact O-N 3.26Å; Q310-V312 PolarHBondContact O-N 2.99Å; V312-T316 WeakPolarHBondContact O-CB 3.16Å; V312-T316 PolarHBondContact O-N 2.92Å; V312-T316 PolarHBondContact O-OG1 2.68Å; V312-R324 HydrophobicContact CG1-CG 4.35Å; V312-T327 HydrophobicContact CG1-CG2 4.44Å; V312-L328 HydrophobicContact CB-CD2 3.98Å; V312-L328 HydrophobicContact CG1-CD2 3.82Å; V312-L328 HydrophobicContact CG1-CG 4.13Å; V312-I331 HydrophobicContact CG2-CD1 4.35Å |
| 313 | N | 95.4 | Very high | 90.2 | Very high | 73 Ų | 73 | 53.2 Ų | 53.2 | 39% | 0.39 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.7 | -48.7 | 179.2 | -176.2 | 45.6 | 0 | 0 | 0 | 112.2 | H309 Q310 R324 L328 | H309-N313 VanDerWaalsContact O-CB 3.23Å; H309-N313 WeakPolarHBondContact O-CB 3.17Å; H309-N313 PolarHBondContact O-N 3.22Å; Q310-N313 PolarHBondContact O-N 2.63Å; N313-R324 PolarHBondContact O-NH1 3.13Å; N313-L328 HydrophobicContact CB-CD1 4.06Å; N313-L328 HydrophobicContact CB-CD2 4.01Å |
| 314 | E | 93.6 | Very high | 90.1 | Very high | 101 Ų | 101 | 52.9 Ų | 52.9 | 47% | 0.472 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -75.9 | -37.2 | -176 | -69.5 | 179.6 | -161.4 | 0 | 0 | 113.9 | K262 Q310 | K262-E314 IonicContact NZ-OE2 3.67Å; K262-E314 PolarHBondContact NZ-OE2 3.5Å; Q310-E314 HydrophobicContact CG-CG 4.39Å; Q310-E314 WeakPolarHBondContact CG-OE1 3.42Å; Q310-E314 PolarHBondContact NE2-OE1 2.76Å; Q310-E314 WeakPolarHBondContact O-CB 3.39Å; Q310-E314 WeakPolarHBondContact O-CG 3.46Å; Q310-E314 PolarHBondContact O-N 2.9Å |
| 315 | S | 93.8 | Very high | 90 | Very high | 6 Ų | 6 | 60.1 Ų | 60.1 | 4% | 0.042 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -108.3 | -0.5 | -167.7 | -58.5 | 0 | 0 | 0 | 0 | 114.9 | Q265 R266 V311 | Q265-S315 VanDerWaalsContact CB-OG 3.3Å; Q265-S315 WeakPolarHBondContact CB-OG 3.47Å; Q265-S315 PolarHBondContact OE1-OG 2.83Å; Q265-S315 VanDerWaalsContact OE1-OG 3.09Å; R266-S315 WeakPolarHBondContact CA-O 3.31Å; R266-S315 VanDerWaalsContact CG-O 3.31Å; R266-S315 WeakPolarHBondContact CG-O 3.3Å; V311-S315 VanDerWaalsContact O-CB 3.26Å; V311-S315 WeakPolarHBondContact O-CB 3.19Å; V311-S315 PolarHBondContact O-N 2.78Å |
| 316 | T | 90.6 | Very high | 89.9 | Confident | 8 Ų | 8 | 63.9 Ų | 63.9 | 5% | 0.049 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -80.7 | 122.1 | 172.6 | -60.9 | 0 | 0 | 0 | 0 | 110.8 | F273 V312 M320 R324 | F273-T316 HydrophobicContact CD2-CG2 4.46Å; F273-T316 HydrophobicContact CE2-CG2 3.7Å; F273-T316 HydrophobicContact CZ-CG2 4.24Å; V312-T316 WeakPolarHBondContact O-CB 3.16Å; V312-T316 PolarHBondContact O-N 2.92Å; V312-T316 PolarHBondContact O-OG1 2.68Å; T316-M320 HydrophobicContact CG2-CB 4.07Å; T316-M320 HydrophobicContact CG2-CE 3.9Å; T316-R324 HydrophobicContact CG2-CB 3.91Å; T316-R324 HydrophobicContact CG2-CG 4.08Å |
| 317 | V | 83.6 | Confident | 89.8 | Confident | 73 Ų | 73 | 61 Ų | 61 | 44% | 0.442 | 31% | 0.306 | S | S | . | . | trans | -64.5 | 143.9 | -179.1 | -176.1 | 0 | 0 | 0 | 0 | 111.2 | L319 M320 | V317-L319 PolarHBondContact O-N 2.93Å; V317-M320 PolarHBondContact O-N 3.46Å | ||
| 318 | C | 68.7 | Low | 89.8 | Confident | 116 Ų | 116 | 60.8 Ų | 60.8 | 78% | 0.784 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -52.8 | -23.6 | -172.6 | -56.3 | 0 | 0 | 0 | 0 | 116 | M320 | C318-M320 PolarHBondContact O-N 3.35Š|
| 319 | L | 65.6 | Low | 89.8 | Confident | 160 Ų | 160 | 64.4 Ų | 64.4 | 84% | 0.838 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -65.8 | -20 | 178.8 | -67.5 | 172.3 | 0 | 0 | 0 | 113.7 | V317 | V317-L319 PolarHBondContact O-N 2.93Š|
| 320 | M | 75.7 | Confident | 89.8 | Confident | 38 Ų | 38 | 62.4 Ų | 62.4 | 19% | 0.187 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -109.1 | 42.4 | -179.7 | -60.5 | -177.9 | -55.5 | 0 | 0 | 111.4 | F273 T316 V317 C318 H322 E323 R324 | F273-M320 HydrophobicContact CB-CE 4.34Å; F273-M320 HydrophobicContact CB-SD 3.84Å; F273-M320 HydrophobicContact CD2-CE 3.44Å; F273-M320 VanDerWaalsContact CD2-CE 3.44Å; F273-M320 HydrophobicContact CD2-SD 3.97Å; F273-M320 HydrophobicContact CE2-CE 4.07Å; F273-M320 HydrophobicContact CG-CE 4.14Å; F273-M320 HydrophobicContact CG-SD 4.05Å; T316-M320 HydrophobicContact CG2-CB 4.07Å; T316-M320 HydrophobicContact CG2-CE 3.9Å; V317-M320 PolarHBondContact O-N 3.46Å; C318-M320 PolarHBondContact O-N 3.35Å; M320-H322 VanDerWaalsContact C-N 3.33Å; M320-H322 PolarHBondContact O-N 2.93Å; M320-E323 WeakPolarHBondContact CA-OE2 3.47Å; M320-E323 HydrophobicContact CB-CB 4.42Å; M320-R324 WeakPolarHBondContact O-CB 3.48Å; M320-R324 PolarHBondContact O-N 3.49Å |
| 321 | G | 82.3 | Confident | 89.8 | Confident | 16 Ų | 16 | 57.4 Ų | 57.4 | 17% | 0.165 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -70.4 | -22 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | R325 | G321-R325 PolarHBondContact O-NE 3.47Å; G321-R325 PolarHBondContact O-NH2 2.88Å |
| 322 | H | 87.9 | Confident | 89.9 | Confident | 105 Ų | 105 | 59 Ų | 59 | 49% | 0.486 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -84.5 | -52.4 | 177.8 | 180 | 87.2 | 0 | 0 | 0 | 110.5 | M320 R324 R325 Q326 | M320-H322 VanDerWaalsContact C-N 3.33Å; M320-H322 PolarHBondContact O-N 2.93Å; H322-R324 VanDerWaalsContact C-N 3.31Å; H322-R324 PolarHBondContact O-N 3.41Å; H322-R325 WeakPolarHBondContact O-CB 3.39Å; H322-R325 PolarHBondContact O-N 3.18Å; H322-Q326 PolarHBondContact CD2-OE1 3.16Å; H322-Q326 VanDerWaalsContact CD2-OE1 3.26Å; H322-Q326 VanDerWaalsContact NE2-CD 3.26Å; H322-Q326 PolarHBondContact NE2-NE2 2.92Å; H322-Q326 PolarHBondContact NE2-OE1 2.9Å; H322-Q326 PolarHBondContact O-N 3.02Å |
| 323 | E | 89.6 | Confident | 89.9 | Confident | 76 Ų | 76 | 62.2 Ų | 62.2 | 36% | 0.355 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -52.4 | -49.2 | 175 | -55.2 | 81.1 | 174.5 | 0 | 0 | 109.8 | F273 M320 R325 Q326 T327 | F273-E323 HydrophobicContact CD1-CB 4.12Å; F273-E323 HydrophobicContact CE1-CB 4.01Å; M320-E323 WeakPolarHBondContact CA-OE2 3.47Å; M320-E323 HydrophobicContact CB-CB 4.42Å; E323-R325 VanDerWaalsContact C-N 3.31Å; E323-R325 PolarHBondContact O-N 3.43Å; E323-Q326 PolarHBondContact O-N 3.47Å; E323-Q326 VanDerWaalsContact O-N 3.12Å; E323-T327 PolarHBondContact O-N 3.01Å; E323-T327 PolarHBondContact O-OG1 3.34Å; E323-T327 VanDerWaalsContact O-OG1 3.06Å |
| 324 | R | 92.8 | Very high | 89.9 | Confident | 71 Ų | 71 | 58.9 Ų | 58.9 | 27% | 0.268 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -51.9 | -46.7 | 174.1 | -174.4 | 176.7 | 71.4 | 164.5 | -6.5 | 112.4 | V312 N313 T316 M320 H322 L328 | V312-R324 HydrophobicContact CG1-CG 4.35Å; N313-R324 PolarHBondContact O-NH1 3.13Å; T316-R324 HydrophobicContact CG2-CB 3.91Å; T316-R324 HydrophobicContact CG2-CG 4.08Å; M320-R324 WeakPolarHBondContact O-CB 3.48Å; M320-R324 PolarHBondContact O-N 3.49Å; H322-R324 VanDerWaalsContact C-N 3.31Å; H322-R324 PolarHBondContact O-N 3.41Å; R324-L328 HydrophobicContact CG-CD1 3.8Å; R324-L328 HydrophobicContact CG-CG 4.29Å; R324-L328 WeakPolarHBondContact O-CB 3.24Å; R324-L328 WeakPolarHBondContact O-CG 3.25Å; R324-L328 PolarHBondContact O-N 3Å |
| 325 | R | 94 | Very high | 90 | Very high | 160 Ų | 160 | 54.2 Ų | 54.2 | 60% | 0.604 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -68.2 | -39 | -179.5 | -75 | -178.5 | -65.4 | -120.1 | -5.2 | 112 | G321 H322 E323 S329 | G321-R325 PolarHBondContact O-NE 3.47Å; G321-R325 PolarHBondContact O-NH2 2.88Å; H322-R325 WeakPolarHBondContact O-CB 3.39Å; H322-R325 PolarHBondContact O-N 3.18Å; E323-R325 VanDerWaalsContact C-N 3.31Å; E323-R325 PolarHBondContact O-N 3.43Å; R325-S329 VanDerWaalsContact O-CB 3.32Å; R325-S329 WeakPolarHBondContact O-CB 3.22Å; R325-S329 PolarHBondContact O-N 3.01Å |
| 326 | Q | 95 | Very high | 89.9 | Confident | 83 Ų | 83 | 59 Ų | 59 | 39% | 0.388 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.9 | -48.8 | 175.5 | -68.6 | 177.7 | -51.9 | 0 | 0 | 111.1 | I279 H322 E323 S329 L330 | I279-Q326 HydrophobicContact CD1-CB 4.01Å; I279-Q326 HydrophobicContact CG1-CB 4.47Å; H322-Q326 PolarHBondContact CD2-OE1 3.16Å; H322-Q326 VanDerWaalsContact CD2-OE1 3.26Å; H322-Q326 VanDerWaalsContact NE2-CD 3.26Å; H322-Q326 PolarHBondContact NE2-NE2 2.92Å; H322-Q326 PolarHBondContact NE2-OE1 2.9Å; H322-Q326 PolarHBondContact O-N 3.02Å; E323-Q326 PolarHBondContact O-N 3.47Å; E323-Q326 VanDerWaalsContact O-N 3.12Å; Q326-S329 WeakPolarHBondContact O-CB 3.38Å; Q326-S329 PolarHBondContact O-N 2.77Å; Q326-L330 WeakPolarHBondContact O-CB 3.46Å; Q326-L330 PolarHBondContact O-N 3.49Å |
| 327 | T | 95.9 | Very high | 90 | Very high | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.006 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65 | -41.4 | 179.1 | -52.5 | 0 | 0 | 0 | 0 | 112.4 | F272 F273 Q282 V312 E323 S329 L330 I331 | F272-T327 HydrophobicContact CE1-CG2 4.16Å; F273-T327 HydrophobicContact CE1-CG2 4.48Å; F273-T327 WeakPolarHBondContact CE1-OG1 3.31Å; Q282-T327 PolarHBondContact OE1-OG1 3.3Å; V312-T327 HydrophobicContact CG1-CG2 4.44Å; E323-T327 PolarHBondContact O-N 3.01Å; E323-T327 PolarHBondContact O-OG1 3.34Å; E323-T327 VanDerWaalsContact O-OG1 3.06Å; T327-S329 VanDerWaalsContact C-N 3.34Å; T327-S329 PolarHBondContact O-N 2.98Å; T327-L330 PolarHBondContact O-N 2.83Å; T327-I331 HydrophobicContact CG2-CD1 3.87Å; T327-I331 HydrophobicContact CG2-CG1 4.45Å; T327-I331 WeakPolarHBondContact O-CD1 3.47Å; T327-I331 WeakPolarHBondContact O-CG1 3.4Å; T327-I331 PolarHBondContact O-N 2.91Å |
| 328 | L | 96.9 | Very high | 90.4 | Very high | 18 Ų | 18 | 59.8 Ų | 59.8 | 9% | 0.094 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.9 | -38.3 | 174.9 | -69.5 | 173.3 | 0 | 0 | 0 | 112.1 | H309 V312 N313 R324 S332 | H309-L328 HydrophobicContact CB-CD2 4.43Å; H309-L328 VanDerWaalsContact CD2-CD2 3.46Å; H309-L328 WeakPolarHBondContact CD2-CD2 3.19Å; H309-L328 WeakPolarHBondContact O-CD2 3.4Å; V312-L328 HydrophobicContact CB-CD2 3.98Å; V312-L328 HydrophobicContact CG1-CD2 3.82Å; V312-L328 HydrophobicContact CG1-CG 4.13Å; N313-L328 HydrophobicContact CB-CD1 4.06Å; N313-L328 HydrophobicContact CB-CD2 4.01Å; R324-L328 HydrophobicContact CG-CD1 3.8Å; R324-L328 HydrophobicContact CG-CG 4.29Å; R324-L328 WeakPolarHBondContact O-CB 3.24Å; R324-L328 WeakPolarHBondContact O-CG 3.25Å; R324-L328 PolarHBondContact O-N 3Å; L328-S332 WeakPolarHBondContact O-CB 3.23Å; L328-S332 PolarHBondContact O-N 3.48Å; L328-S332 PolarHBondContact O-OG 3.27Å |
| 329 | S | 97.3 | Very high | 91.4 | Very high | 81 Ų | 81 | 56 Ų | 56 | 57% | 0.566 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -64.5 | -44.8 | 173.9 | -170.4 | 0 | 0 | 0 | 0 | 111.7 | R325 Q326 T327 S332 M333 | R325-S329 VanDerWaalsContact O-CB 3.32Å; R325-S329 WeakPolarHBondContact O-CB 3.22Å; R325-S329 PolarHBondContact O-N 3.01Å; Q326-S329 WeakPolarHBondContact O-CB 3.38Å; Q326-S329 PolarHBondContact O-N 2.77Å; T327-S329 VanDerWaalsContact C-N 3.34Å; T327-S329 PolarHBondContact O-N 2.98Å; S329-S332 PolarHBondContact O-N 3.33Å; S329-M333 WeakPolarHBondContact O-CB 3.43Å; S329-M333 PolarHBondContact O-N 2.88Å |
| 330 | L | 97.4 | Very high | 92.4 | Very high | 11 Ų | 11 | 50.8 Ų | 50.8 | 6% | 0.058 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.4 | -49.9 | 174.1 | 167.6 | 61.8 | 0 | 0 | 0 | 111.8 | I279 Q282 Q283 L286 Q326 T327 S332 M333 L334 | I279-L330 HydrophobicContact CD1-CB 4.11Å; I279-L330 HydrophobicContact CD1-CD2 3.61Å; I279-L330 HydrophobicContact CG1-CD2 4.28Å; Q282-L330 HydrophobicContact CB-CD2 3.96Å; Q283-L330 HydrophobicContact CB-CD1 3.77Å; Q283-L330 HydrophobicContact CB-CD2 3.99Å; Q283-L330 HydrophobicContact CG-CD1 3.89Å; L286-L330 HydrophobicContact CD1-CD2 4.06Å; L286-L330 HydrophobicContact CD1-CG 4.28Å; Q326-L330 WeakPolarHBondContact O-CB 3.46Å; Q326-L330 PolarHBondContact O-N 3.49Å; T327-L330 PolarHBondContact O-N 2.83Å; L330-S332 VanDerWaalsContact C-N 3.29Å; L330-S332 PolarHBondContact O-N 2.95Å; L330-M333 HydrophobicContact CD1-CE 3.75Å; L330-M333 PolarHBondContact O-N 2.95Å; L330-L334 HydrophobicContact CD1-CD1 3.95Å; L330-L334 HydrophobicContact CD1-CG 4.04Å; L330-L334 HydrophobicContact CG-CD1 4.24Å; L330-L334 WeakPolarHBondContact O-CG 3.39Å; L330-L334 PolarHBondContact O-N 2.9Å |
| 331 | I | 97.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.6 | -41.2 | 178.5 | -65.8 | 159.9 | 0 | 0 | 0 | 110.8 | L286 L305 L308 H309 V312 T327 L334 A335 | L286-I331 HydrophobicContact CD1-CG1 4.12Å; L305-I331 HydrophobicContact CB-CG2 4.16Å; L305-I331 HydrophobicContact CD2-CG2 4.03Å; L305-I331 WeakPolarHBondContact O-CG2 3.32Å; L308-I331 HydrophobicContact CD2-CD1 3.84Å; L308-I331 HydrophobicContact CD2-CG1 4.02Å; L308-I331 HydrophobicContact CG-CD1 3.79Å; L308-I331 HydrophobicContact CG-CG1 4.44Å; H309-I331 HydrophobicContact CB-CG2 3.81Å; V312-I331 HydrophobicContact CG2-CD1 4.35Å; T327-I331 HydrophobicContact CG2-CD1 3.87Å; T327-I331 HydrophobicContact CG2-CG1 4.45Å; T327-I331 WeakPolarHBondContact O-CD1 3.47Å; T327-I331 WeakPolarHBondContact O-CG1 3.4Å; T327-I331 PolarHBondContact O-N 2.91Å; I331-L334 PolarHBondContact O-N 3.05Å; I331-A335 WeakPolarHBondContact O-CB 3.26Å; I331-A335 PolarHBondContact O-N 3.39Å |
| 332 | S | 96.9 | Very high | 92.6 | Very high | 41 Ų | 41 | 57.6 Ų | 57.6 | 29% | 0.287 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.6 | -42.4 | 176.9 | -58.7 | 0 | 0 | 0 | 0 | 112 | L328 S329 L330 A335 L336 | L328-S332 WeakPolarHBondContact O-CB 3.23Å; L328-S332 PolarHBondContact O-N 3.48Å; L328-S332 PolarHBondContact O-OG 3.27Å; S329-S332 PolarHBondContact O-N 3.33Å; L330-S332 VanDerWaalsContact C-N 3.29Å; L330-S332 PolarHBondContact O-N 2.95Å; S332-A335 PolarHBondContact O-N 3.35Å; S332-L336 WeakPolarHBondContact O-CG 3.47Å; S332-L336 PolarHBondContact O-N 3.17Å |
| 333 | M | 96.8 | Very high | 91.6 | Very high | 68 Ų | 68 | 59.4 Ų | 59.4 | 34% | 0.335 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.9 | -46.8 | 177.1 | 177.5 | -87.5 | -74.1 | 0 | 0 | 111.8 | S329 L330 A335 L336 Q337 | S329-M333 WeakPolarHBondContact O-CB 3.43Å; S329-M333 PolarHBondContact O-N 2.88Å; L330-M333 HydrophobicContact CD1-CE 3.75Å; L330-M333 PolarHBondContact O-N 2.95Å; M333-A335 VanDerWaalsContact C-N 3.29Å; M333-A335 PolarHBondContact O-N 3.36Å; M333-L336 PolarHBondContact O-N 3.28Å; M333-Q337 WeakPolarHBondContact O-CG 3.39Å; M333-Q337 PolarHBondContact O-N 3.5Å; M333-Q337 VanDerWaalsContact SD-CD 3.59Å; M333-Q337 HydrophobicContact SD-CG 4.38Å; M333-Q337 PolarHBondContact SD-NE2 3.22Å; M333-Q337 VanDerWaalsContact SD-NE2 3.42Å |
| 334 | L | 96.2 | Very high | 90 | Very high | 4 Ų | 4 | 58.6 Ų | 58.6 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.9 | -37.6 | 174.4 | -67.8 | 174.4 | 0 | 0 | 0 | 111.8 | L286 E287 L305 L330 I331 Q337 V338 | L286-L334 HydrophobicContact CB-CD1 3.73Å; L286-L334 HydrophobicContact CD1-CD1 3.86Å; L286-L334 HydrophobicContact CG-CD1 4.44Å; E287-L334 HydrophobicContact CG-CD2 3.94Å; L305-L334 HydrophobicContact CD1-CB 4.1Å; L305-L334 HydrophobicContact CD2-CB 4.33Å; L330-L334 HydrophobicContact CD1-CD1 3.95Å; L330-L334 HydrophobicContact CD1-CG 4.04Å; L330-L334 HydrophobicContact CG-CD1 4.24Å; L330-L334 WeakPolarHBondContact O-CG 3.39Å; L330-L334 PolarHBondContact O-N 2.9Å; I331-L334 PolarHBondContact O-N 3.05Å; L334-Q337 PolarHBondContact O-N 3.41Å; L334-V338 WeakPolarHBondContact O-CG2 3.48Å; L334-V338 PolarHBondContact O-N 3.01Å |
| 335 | A | 95 | Very high | 87.8 | Confident | 2 Ų | 2 | 58.5 Ų | 58.5 | 2% | 0.017 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -69.1 | -36.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y302 L305 M306 I331 S332 M333 V338 L339 | Y302-A335 HydrophobicContact CD2-CB 3.94Å; Y302-A335 HydrophobicContact CE2-CB 4.02Å; L305-A335 HydrophobicContact CB-CB 4.09Å; L305-A335 HydrophobicContact CD1-CB 4.05Å; M306-A335 HydrophobicContact CE-CB 3.38Å; I331-A335 WeakPolarHBondContact O-CB 3.26Å; I331-A335 PolarHBondContact O-N 3.39Å; S332-A335 PolarHBondContact O-N 3.35Å; M333-A335 VanDerWaalsContact C-N 3.29Å; M333-A335 PolarHBondContact O-N 3.36Å; A335-V338 PolarHBondContact O-N 3.42Å; A335-L339 WeakPolarHBondContact O-CG 3.35Å; A335-L339 PolarHBondContact O-N 3.27Å |
| 336 | L | 93.1 | Very high | 85.4 | Confident | 107 Ų | 107 | 55.3 Ų | 55.3 | 56% | 0.56 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -65.6 | -38.4 | 172.4 | -71.3 | 169.9 | 0 | 0 | 0 | 111.9 | S332 M333 L339 A340 | S332-L336 WeakPolarHBondContact O-CG 3.47Å; S332-L336 PolarHBondContact O-N 3.17Å; M333-L336 PolarHBondContact O-N 3.28Å; L336-L339 PolarHBondContact O-N 3.31Å; L336-A340 PolarHBondContact O-N 3.02Å |
| 337 | Q | 92.4 | Very high | 83.1 | Confident | 89 Ų | 89 | 56.1 Ų | 56.1 | 42% | 0.416 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.2 | -47.1 | 173 | -71.8 | 174.8 | -21.8 | 0 | 0 | 111.5 | M333 L334 L339 A340 E341 | M333-Q337 WeakPolarHBondContact O-CG 3.39Å; M333-Q337 PolarHBondContact O-N 3.5Å; M333-Q337 VanDerWaalsContact SD-CD 3.59Å; M333-Q337 HydrophobicContact SD-CG 4.38Å; M333-Q337 PolarHBondContact SD-NE2 3.22Å; M333-Q337 VanDerWaalsContact SD-NE2 3.42Å; L334-Q337 PolarHBondContact O-N 3.41Å; Q337-L339 VanDerWaalsContact C-N 3.31Å; Q337-L339 PolarHBondContact O-N 3.38Å; Q337-A340 WeakPolarHBondContact O-CA 3.44Å; Q337-A340 WeakPolarHBondContact O-CB 3.47Å; Q337-A340 PolarHBondContact O-N 3.35Å; Q337-E341 WeakPolarHBondContact O-CG 3.44Å; Q337-E341 PolarHBondContact O-N 3.05Å |
| 338 | V | 91.3 | Very high | 80.8 | Confident | 8 Ų | 8 | 61 Ų | 61 | 5% | 0.048 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.3 | -39.6 | 176.3 | 168.9 | 0 | 0 | 0 | 0 | 112 | R301 L305 L334 A335 Q342 | R301-V338 HydrophobicContact CB-CG1 3.77Å; R301-V338 HydrophobicContact CB-CG2 4.14Å; L305-V338 HydrophobicContact CD1-CG2 4.06Å; L334-V338 WeakPolarHBondContact O-CG2 3.48Å; L334-V338 PolarHBondContact O-N 3.01Å; A335-V338 PolarHBondContact O-N 3.42Å; V338-Q342 WeakPolarHBondContact O-CB 3.36Å; V338-Q342 VanDerWaalsContact O-CG 3.26Å; V338-Q342 WeakPolarHBondContact O-CG 3.5Å; V338-Q342 PolarHBondContact O-N 3.42Å |
| 339 | L | 89.3 | Confident | 78.6 | Confident | 38 Ų | 38 | 63.6 Ų | 63.6 | 20% | 0.199 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -67 | -35.5 | 174.2 | -71.3 | 175 | 0 | 0 | 0 | 112.7 | Y302 A335 L336 Q337 Q342 N343 A344 I345 | Y302-L339 HydrophobicContact CD2-CD1 3.95Å; Y302-L339 HydrophobicContact CD2-CD2 3.83Å; Y302-L339 HydrophobicContact CD2-CG 3.65Å; Y302-L339 HydrophobicContact CE2-CD1 3.52Å; Y302-L339 HydrophobicContact CE2-CD2 4.09Å; Y302-L339 HydrophobicContact CE2-CG 3.79Å; Y302-L339 HydrophobicContact CG-CD2 4.06Å; Y302-L339 HydrophobicContact CG-CG 4.37Å; A335-L339 WeakPolarHBondContact O-CG 3.35Å; A335-L339 PolarHBondContact O-N 3.27Å; L336-L339 PolarHBondContact O-N 3.31Å; Q337-L339 VanDerWaalsContact C-N 3.31Å; Q337-L339 PolarHBondContact O-N 3.38Å; L339-Q342 PolarHBondContact O-N 3.13Å; L339-N343 PolarHBondContact O-N 3.08Å; L339-A344 HydrophobicContact CB-CB 4.5Å; L339-A344 HydrophobicContact CD2-CB 3.9Å; L339-A344 PolarHBondContact O-N 3.05Å; L339-I345 HydrophobicContact CB-CG1 4.02Å; L339-I345 PolarHBondContact O-N 2.98Å |
| 340 | A | 87.3 | Confident | 76.1 | Confident | 49 Ų | 49 | 66.7 Ų | 66.7 | 41% | 0.405 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.4 | -47.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L336 Q337 Q342 N343 I345 | L336-A340 PolarHBondContact O-N 3.02Å; Q337-A340 WeakPolarHBondContact O-CA 3.44Å; Q337-A340 WeakPolarHBondContact O-CB 3.47Å; Q337-A340 PolarHBondContact O-N 3.35Å; A340-Q342 PolarHBondContact O-N 3.38Å; A340-N343 PolarHBondContact O-N 3.48Å; A340-N343 VanDerWaalsContact O-N 3.08Å; A340-I345 HydrophobicContact CB-CD1 3.66Å; A340-I345 HydrophobicContact CB-CG1 4.46Å |
| 341 | E | 85.2 | Confident | 73.7 | Confident | 127 Ų | 127 | 69.6 Ų | 69.6 | 59% | 0.593 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -57.2 | -35.8 | 175.9 | -72.2 | 174.8 | -176.9 | 0 | 0 | 112.5 | Q337 N343 | Q337-E341 WeakPolarHBondContact O-CG 3.44Å; Q337-E341 PolarHBondContact O-N 3.05Å; E341-N343 VanDerWaalsContact C-N 3.27Å; E341-N343 PolarHBondContact O-N 2.91Å |
| 342 | Q | 77.1 | Confident | 71.3 | Confident | 71 Ų | 71 | 73.4 Ų | 73.4 | 33% | 0.332 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 1.9 | -179.4 | -69.5 | 175.6 | 11.8 | 0 | 0 | 113.9 | E298 V338 L339 A340 A344 | E298-Q342 PolarHBondContact O-NE2 3.45Å; V338-Q342 WeakPolarHBondContact O-CB 3.36Å; V338-Q342 VanDerWaalsContact O-CG 3.26Å; V338-Q342 WeakPolarHBondContact O-CG 3.5Å; V338-Q342 PolarHBondContact O-N 3.42Å; L339-Q342 PolarHBondContact O-N 3.13Å; A340-Q342 PolarHBondContact O-N 3.38Å; Q342-A344 HydrophobicContact CB-CB 4.31Å; Q342-A344 PolarHBondContact O-N 2.97Å; Q342-A344 VanDerWaalsContact O-N 3.13Å |
| 343 | N | 65.7 | Low | 68.9 | Low | 142 Ų | 142 | 76.4 Ų | 76.4 | 76% | 0.759 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 24.9 | -169.2 | -59.7 | -66.6 | 0 | 0 | 0 | 113.4 | L339 A340 E341 I345 | L339-N343 PolarHBondContact O-N 3.08Å; A340-N343 PolarHBondContact O-N 3.48Å; A340-N343 VanDerWaalsContact O-N 3.08Å; E341-N343 VanDerWaalsContact C-N 3.27Å; E341-N343 PolarHBondContact O-N 2.91Å; N343-I345 VanDerWaalsContact C-N 3.34Å |
| 344 | A | 56.3 | Low | 66.6 | Low | 59 Ų | 59 | 81.4 Ų | 81.4 | 49% | 0.488 | 46% | 0.46 | S | S | . | . | trans | -83.7 | -14.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L339 Q342 | L339-A344 HydrophobicContact CB-CB 4.5Å; L339-A344 HydrophobicContact CD2-CB 3.9Å; L339-A344 PolarHBondContact O-N 3.05Å; Q342-A344 HydrophobicContact CB-CB 4.31Å; Q342-A344 PolarHBondContact O-N 2.97Å; Q342-A344 VanDerWaalsContact O-N 3.13Å | ||
| 345 | I | 46.6 | Very low | 64.6 | Low | 69 Ų | 69 | 90.9 Ų | 90.9 | 35% | 0.354 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -74.4 | 118.7 | 159.2 | -56.5 | -177.7 | 0 | 0 | 0 | 107 | L339 A340 N343 T347 | L339-I345 HydrophobicContact CB-CG1 4.02Å; L339-I345 PolarHBondContact O-N 2.98Å; A340-I345 HydrophobicContact CB-CD1 3.66Å; A340-I345 HydrophobicContact CB-CG1 4.46Å; N343-I345 VanDerWaalsContact C-N 3.34Å; I345-T347 PolarHBondContact O-N 3.28Å |
| 346 | P | 44.6 | Very low | 62.3 | Low | 93 Ų | 93 | 99.2 Ų | 99.2 | 60% | 0.604 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 130.5 | 175.2 | 25.5 | -33.3 | 0 | 0 | 0 | 109.1 | V348 | P346-V348 PolarHBondContact O-N 3.23Š|
| 347 | T | 45.4 | Very low | 60.5 | Low | 101 Ų | 101 | 98 Ų | 98 | 62% | 0.62 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -49.4 | 118 | -177.4 | -36.6 | 0 | 0 | 0 | 0 | 109.8 | I345 T349 N350 | I345-T347 PolarHBondContact O-N 3.28Å; T347-T349 WeakPolarHBondContact CB-OG1 3.47Å; T347-T349 HydrophobicContact CG2-CG2 4.08Å; T347-T349 WeakPolarHBondContact CG2-OG1 3.4Å; T347-T349 PolarHBondContact O-N 3.27Å; T347-T349 PolarHBondContact O-OG1 3.06Å; T347-N350 PolarHBondContact O-N 3.11Å; T347-N350 VanDerWaalsContact O-N 3.11Å |
| 348 | V | 48.5 | Very low | 58.5 | Low | 103 Ų | 103 | 95.3 Ų | 95.3 | 62% | 0.624 | 53% | 0.527 | S | S | * | . | G | 310 helix | trans | -62.4 | -12.3 | -168.2 | -162.8 | 0 | 0 | 0 | 0 | 112.6 | P346 N350 V351 | P346-V348 PolarHBondContact O-N 3.23Å; V348-N350 PolarHBondContact O-N 3.25Å; V348-V351 HydrophobicContact CG1-CB 4.18Å; V348-V351 HydrophobicContact CG1-CG2 4.2Å; V348-V351 PolarHBondContact O-N 2.88Å |
| 349 | T | 49.6 | Very low | 56.8 | Low | 72 Ų | 72 | 101.3 Ų | 101.3 | 44% | 0.442 | 57% | 0.566 | S | S | . | * | G | 310 helix | trans | -47.1 | -28.1 | 167.4 | 50.3 | 0 | 0 | 0 | 0 | 114.5 | T347 | T347-T349 WeakPolarHBondContact CB-OG1 3.47Å; T347-T349 HydrophobicContact CG2-CG2 4.08Å; T347-T349 WeakPolarHBondContact CG2-OG1 3.4Å; T347-T349 PolarHBondContact O-N 3.27Å; T347-T349 PolarHBondContact O-OG1 3.06Å |
| 350 | N | 45.9 | Very low | 55.6 | Low | 146 Ų | 146 | 108.5 Ų | 108.5 | 78% | 0.781 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -122.2 | 25.4 | -179.7 | -69.5 | -0.6 | 0 | 0 | 0 | 114.2 | T347 V348 T352 | T347-N350 PolarHBondContact O-N 3.11Å; T347-N350 VanDerWaalsContact O-N 3.11Å; V348-N350 PolarHBondContact O-N 3.25Å; N350-T352 PolarHBondContact O-N 3.17Å |
| 351 | V | 46 | Very low | 54.2 | Low | 73 Ų | 73 | 109.4 Ų | 109.4 | 44% | 0.442 | 59% | 0.592 | S | S | . | * | trans | -90 | 100.8 | 175.2 | 177.5 | 0 | 0 | 0 | 0 | 110.7 | V348 C353 | V348-V351 HydrophobicContact CG1-CB 4.18Å; V348-V351 HydrophobicContact CG1-CG2 4.2Å; V348-V351 PolarHBondContact O-N 2.88Å; V351-C353 PolarHBondContact O-N 3.28Å | ||
| 352 | T | 48.7 | Very low | 52.8 | Low | 80 Ų | 80 | 114.1 Ų | 114.1 | 49% | 0.491 | 60% | 0.604 | S | S | . | * | trans | -76.8 | 97.4 | 171.5 | -48.9 | 0 | 0 | 0 | 0 | 110.1 | N350 F354 | N350-T352 PolarHBondContact O-N 3.17Å; T352-F354 HydrophobicContact CG2-CE1 4.49Å; T352-F354 HydrophobicContact CG2-CE2 4.25Å; T352-F354 HydrophobicContact CG2-CZ 4.11Å; T352-F354 WeakPolarHBondContact O-CD2 3.45Å; T352-F354 PolarHBondContact O-N 3.04Å | ||
| 353 | C | 46.6 | Very low | 51.5 | Low | 104 Ų | 104 | 116.2 Ų | 116.2 | 70% | 0.703 | 62% | 0.618 | S | S | * | * | trans | -74 | 109.3 | 174.4 | -72.2 | 0 | 0 | 0 | 0 | 111.3 | V351 Y355 | V351-C353 PolarHBondContact O-N 3.28Å; C353-Y355 PolarHBondContact O-N 3.14Å; C353-Y355 VanDerWaalsContact O-N 3.14Å | ||
| 354 | F | 48.3 | Very low | 50.8 | Low | 172 Ų | 172 | 117.6 Ų | 117.6 | 75% | 0.754 | 62% | 0.624 | S | S | * | * | trans | -78.5 | 92.2 | 170.6 | -65 | -83.9 | 0 | 0 | 0 | 110.4 | T352 Q356 Y369 | T352-F354 HydrophobicContact CG2-CE1 4.49Å; T352-F354 HydrophobicContact CG2-CE2 4.25Å; T352-F354 HydrophobicContact CG2-CZ 4.11Å; T352-F354 WeakPolarHBondContact O-CD2 3.45Å; T352-F354 PolarHBondContact O-N 3.04Å; F354-Q356 PolarHBondContact O-N 3.43Å; F354-Y369 HydrophobicContact CE1-CE1 4.32Å | ||
| 355 | Y | 53.1 | Low | 50.6 | Low | 203 Ų | 203 | 122 Ų | 122 | 80% | 0.796 | 64% | 0.639 | S | S | * | * | trans | -80 | 112.2 | 171.2 | -163.8 | -89.8 | 0 | 0 | 0 | 109.8 | C353 P357 | C353-Y355 PolarHBondContact O-N 3.14Å; C353-Y355 VanDerWaalsContact O-N 3.14Å; Y355-P357 WeakPolarHBondContact O-CD 3.48Å | ||
| 356 | Q | 48.2 | Very low | 50.6 | Low | 178 Ų | 178 | 125 Ų | 125 | 83% | 0.832 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 117.9 | 173 | -154.4 | 171.5 | 10.2 | 0 | 0 | 108.3 | F354 | F354-Q356 PolarHBondContact O-N 3.43Š|
| 357 | P | 53.5 | Low | 50.6 | Low | 80 Ų | 80 | 125.5 Ų | 125.5 | 52% | 0.519 | 66% | 0.655 | S | S | . | * | P | Polyproline II helix | trans | -65.6 | 152.9 | -174.4 | 25.9 | -33.9 | 0 | 0 | 0 | 111.8 | Y355 V361 | Y355-P357 WeakPolarHBondContact O-CD 3.48Å; P357-V361 HydrophobicContact CB-CB 4.33Å; P357-V361 HydrophobicContact CB-CG2 4.45Å |
| 358 | A | 52.2 | Low | 50.5 | Low | 34 Ų | 34 | 126.9 Ų | 126.9 | 28% | 0.281 | 66% | 0.659 | S | S | . | * | P | Polyproline II helix | trans | -62.1 | 148.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y360 V361 | A358-Y360 HydrophobicContact CB-CD1 4Å; A358-Y360 HydrophobicContact CB-CE1 3.44Å; A358-Y360 VanDerWaalsContact CB-CE1 3.44Å; A358-Y360 PolarHBondContact O-N 3.18Å; A358-V361 PolarHBondContact O-N 3.42Å |
| 359 | P | 54.7 | Low | 50.3 | Low | 133 Ų | 133 | 130.3 Ų | 130.3 | 86% | 0.864 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | -7.4 | -163.9 | -25.9 | 35.3 | 0 | 0 | 0 | 117.5 | ||
| 360 | Y | 64.8 | Low | 50 | Low | 190 Ų | 190 | 137 Ų | 137 | 75% | 0.745 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | -8.6 | 179.4 | 56.7 | -97.7 | 0 | 0 | 0 | 114 | A358 R362 | A358-Y360 HydrophobicContact CB-CD1 4Å; A358-Y360 HydrophobicContact CB-CE1 3.44Å; A358-Y360 VanDerWaalsContact CB-CE1 3.44Å; A358-Y360 PolarHBondContact O-N 3.18Å; Y360-R362 PolarHBondContact O-N 3.09Å |
| 361 | V | 57.7 | Low | 49.8 | Very low | 67 Ų | 67 | 135.2 Ų | 135.2 | 41% | 0.406 | 67% | 0.67 | S | S | . | * | trans | -79.2 | 113.6 | 176.7 | -176.3 | 0 | 0 | 0 | 0 | 109.2 | P357 A358 | P357-V361 HydrophobicContact CB-CB 4.33Å; P357-V361 HydrophobicContact CB-CG2 4.45Å; A358-V361 PolarHBondContact O-N 3.42Å | ||
| 362 | R | 55.7 | Low | 49.4 | Very low | 227 Ų | 227 | 134.7 Ų | 134.7 | 86% | 0.857 | 67% | 0.673 | S | S | * | * | trans | -114.3 | 29.5 | -174.3 | -71.6 | -170.1 | 174.5 | -170.6 | 0.1 | 114.2 | Y360 | Y360-R362 PolarHBondContact O-N 3.09Š| ||
| 363 | D | 49 | Very low | 48.8 | Very low | 115 Ų | 115 | 138.6 Ų | 138.6 | 62% | 0.615 | 69% | 0.685 | S | S | * | * | trans | -86.6 | 122.3 | 177.6 | -71.2 | -43.8 | 0 | 0 | 0 | 111.7 | N365 F366 | D363-N365 PolarHBondContact O-N 3.47Å; D363-F366 HydrophobicContact CB-CD2 3.79Å; D363-F366 HydrophobicContact CB-CE2 3.67Å | ||
| 364 | I | 51 | Low | 48.5 | Very low | 171 Ų | 171 | 139 Ų | 139 | 88% | 0.877 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -78.2 | 3.9 | -170.9 | -68.7 | 170.7 | 0 | 0 | 0 | 112.8 | ||
| 365 | N | 52.6 | Low | 47.8 | Very low | 151 Ų | 151 | 139.1 Ų | 139.1 | 81% | 0.807 | 69% | 0.687 | S | S | * | * | trans | -136.8 | 68.2 | -171 | -115.5 | -8.7 | 0 | 0 | 0 | 113 | D363 | D363-N365 PolarHBondContact O-N 3.47Š| ||
| 366 | F | 46.5 | Very low | 47.1 | Very low | 133 Ų | 133 | 135.3 Ų | 135.3 | 58% | 0.583 | 69% | 0.687 | S | S | * | * | trans | -123.6 | 84.2 | 175 | -92.5 | -88.5 | 0 | 0 | 0 | 112.9 | D363 N368 | D363-F366 HydrophobicContact CB-CD2 3.79Å; D363-F366 HydrophobicContact CB-CE2 3.67Å; F366-N368 VanDerWaalsContact C-N 3.35Å; F366-N368 HydrophobicContact CD1-CB 4.2Å; F366-N368 WeakPolarHBondContact CD1-ND2 3.36Å; F366-N368 WeakPolarHBondContact CE1-ND2 3.44Å | ||
| 367 | S | 45.3 | Very low | 46.5 | Very low | 102 Ų | 102 | 135.9 Ų | 135.9 | 71% | 0.713 | 69% | 0.69 | S | S | * | * | trans | -96.8 | 52.4 | 163 | -67.3 | 0 | 0 | 0 | 0 | 110.9 | Y369 | S367-Y369 PolarHBondContact O-N 3.07Š| ||
| 368 | N | 42.5 | Very low | 45.7 | Very low | 131 Ų | 131 | 137.3 Ų | 137.3 | 70% | 0.701 | 70% | 0.699 | S | S | * | * | trans | -97.7 | 87.1 | -179.4 | -76.9 | -7.8 | 0 | 0 | 0 | 111.3 | F366 | F366-N368 VanDerWaalsContact C-N 3.35Å; F366-N368 HydrophobicContact CD1-CB 4.2Å; F366-N368 WeakPolarHBondContact CD1-ND2 3.36Å; F366-N368 WeakPolarHBondContact CE1-ND2 3.44Å | ||
| 369 | Y | 43.9 | Very low | 44.9 | Very low | 175 Ų | 175 | 141.3 Ų | 141.3 | 69% | 0.686 | 72% | 0.722 | S | S | * | * | trans | -80.2 | 114.7 | 163.2 | -59.6 | -82.9 | 0 | 0 | 0 | 108.8 | F354 S367 | F354-Y369 HydrophobicContact CE1-CE1 4.32Å; S367-Y369 PolarHBondContact O-N 3.07Å | ||
| 370 | Y | 44.6 | Very low | 43.9 | Very low | 212 Ų | 212 | 143.7 Ų | 143.7 | 83% | 0.831 | 73% | 0.727 | S | S | * | * | trans | -93.8 | 110.3 | 175.2 | -156.4 | -86.9 | 0 | 0 | 0 | 109.9 | ||||
| 371 | I | 41.9 | Very low | 42.3 | Very low | 109 Ų | 109 | 140.3 Ų | 140.3 | 56% | 0.559 | 73% | 0.726 | S | S | * | * | trans | -92 | 110.9 | 174.8 | -59.2 | 177.1 | 0 | 0 | 0 | 108.1 | H373 | I371-H373 PolarHBondContact O-N 2.82Š| ||
| 372 | A | 36.2 | Very low | 41.3 | Very low | 61 Ų | 61 | 146 Ų | 146 | 50% | 0.504 | 75% | 0.748 | S | S | . | * | trans | -77.9 | 89.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111 | V374 | A372-V374 PolarHBondContact O-N 3.48Å; A372-V374 VanDerWaalsContact O-N 3.09Å | ||
| 373 | H | 35.8 | Very low | 40.1 | Very low | 162 Ų | 162 | 145.8 Ų | 145.8 | 75% | 0.75 | 75% | 0.748 | S | S | * | * | trans | -74.2 | 96 | 173.1 | -72.6 | -63.6 | 0 | 0 | 0 | 111.6 | I371 Q375 | I371-H373 PolarHBondContact O-N 2.82Å; H373-Q375 PolarHBondContact O-N 3.05Å | ||
| 374 | V | 41.6 | Very low | 39.2 | Very low | 112 Ų | 112 | 145 Ų | 145 | 68% | 0.679 | 75% | 0.752 | S | S | * | * | trans | -82.2 | 109.5 | 167.3 | -175.4 | 0 | 0 | 0 | 0 | 108.7 | A372 | A372-V374 PolarHBondContact O-N 3.48Å; A372-V374 VanDerWaalsContact O-N 3.09Å | ||
| 375 | Q | 33.3 | Very low | 38.2 | Very low | 176 Ų | 176 | 144.1 Ų | 144.1 | 82% | 0.822 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 134.6 | 171.1 | -78.6 | -174 | -37 | 0 | 0 | 110.5 | H373 | H373-Q375 PolarHBondContact O-N 3.05Š|
| 376 | P | 37.4 | Very low | 37 | Very low | 123 Ų | 123 | 141.8 Ų | 141.8 | 80% | 0.799 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 132.7 | 171.2 | 28.7 | -32.9 | 0 | 0 | 0 | 110.2 | ||
| 377 | Q | 37 | Very low | 36.2 | Very low | 189 Ų | 189 | 143.4 Ų | 143.4 | 88% | 0.883 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -67 | 138.9 | 174.1 | -74 | -174.2 | -32.4 | 0 | 0 | 111 | ||
| 378 | P | 35.8 | Very low | 35.4 | Very low | 111 Ų | 111 | 147.1 Ų | 147.1 | 72% | 0.721 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 155.5 | 170.2 | 31.1 | -34.2 | 0 | 0 | 0 | 111.3 | ||
| 379 | P | 36.3 | Very low | 35.1 | Very low | 118 Ų | 118 | 145.8 Ų | 145.8 | 77% | 0.766 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -68 | 143.5 | -175.1 | 27.3 | -34.8 | 0 | 0 | 0 | 113 | V381 | P379-V381 PolarHBondContact O-N 3.4Š|
| 380 | L | 32.6 | Very low | 34.4 | Very low | 183 Ų | 183 | 148.2 Ų | 148.2 | 96% | 0.958 | 76% | 0.764 | S | S | * | * | trans | -63.2 | 113.7 | 178 | -77 | 159.2 | 0 | 0 | 0 | 111.7 | ||||
| 381 | V | 31.6 | Very low | 33.8 | Very low | 119 Ų | 119 | 144.5 Ų | 144.5 | 72% | 0.721 | 76% | 0.758 | S | S | * | * | trans | -99.5 | 129.1 | 166.4 | -177.9 | 0 | 0 | 0 | 0 | 108.6 | P379 Y383 | P379-V381 PolarHBondContact O-N 3.4Å; V381-Y383 PolarHBondContact O-N 3.18Å | ||
| 382 | H | 36.8 | Very low | 33 | Very low | 187 Ų | 187 | 146.8 Ų | 146.8 | 87% | 0.866 | 77% | 0.766 | S | S | * | * | trans | -59.3 | 121.4 | 174.9 | -95 | -69.1 | 0 | 0 | 0 | 111.5 | ||||
| 383 | Y | 29.6 | Very low | 32.8 | Very low | 221 Ų | 221 | 149 Ų | 149 | 87% | 0.867 | 78% | 0.776 | S | S | * | * | trans | -135.4 | 145.5 | 155.9 | -103.9 | -86.2 | 0 | 0 | 0 | 111 | V381 | V381-Y383 PolarHBondContact O-N 3.18Š| ||
| 384 | S | 30.9 | Very low | 32.7 | Very low | 99 Ų | 99 | 152.7 Ų | 152.7 | 69% | 0.692 | 80% | 0.801 | S | S | * | * | trans | -100.1 | 156.8 | -171 | 45.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 385 | N | 29.2 | Very low | 32.2 | Very low | 153 Ų | 153 | 154.7 Ų | 154.7 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | 81.3 | 147.4 | 158.7 | -82.1 | -5.2 | 0 | 0 | 0 | 122.4 | ||||
| 386 | S | 29.2 | Very low | 32.2 | Very low | 102 Ų | 102 | 153.6 Ų | 153.6 | 71% | 0.713 | 81% | 0.807 | S | S | * | * | trans | 77.2 | 105.7 | 154.9 | 24 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 387 | H | 29.8 | Very low | 31.9 | Very low | 167 Ų | 167 | 155.3 Ų | 155.3 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | trans | 14.6 | 134.9 | 137 | -44.9 | -73.1 | 0 | 0 | 0 | 118.6 | ||||
| 388 | H | 28.3 | Very low | 31.6 | Very low | 179 Ų | 179 | 153.3 Ų | 153.3 | 83% | 0.829 | 80% | 0.803 | S | S | * | * | -162.1 | 163.9 | 67.7 | -103.4 | -84.7 | 0 | 0 | 0 | 114.5 | |||||
| 389 | T | 34.8 | Very low | 31.3 | Very low | 103 Ų | 103 | 155.9 Ų | 155.9 | 63% | 0.632 | 81% | 0.808 | S | S | * | * | trans | -90.1 | 160.2 | 177.8 | 44.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 390 | W | 29.7 | Very low | 31 | Very low | 227 Ų | 227 | 158.5 Ų | 158.5 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | trans | 69.5 | 149.6 | 168.1 | -56.5 | 111.9 | 0 | 0 | 0 | 115.4 | ||||
| 391 | L | 31.5 | Very low | 30.9 | Very low | 134 Ų | 134 | 156.7 Ų | 156.7 | 70% | 0.702 | 80% | 0.8 | S | S | * | * | cis | -140.8 | -168 | -5.2 | -109 | 159.4 | 0 | 0 | 0 | 106.2 | ||||
| 392 | H | 26.4 | Very low | 30.8 | Very low | 157 Ų | 157 | 159.6 Ų | 159.6 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | cis | -150.6 | 174.2 | 12.8 | -156.1 | -91.7 | 0 | 0 | 0 | 110.1 | ||||
| 393 | C | 31.1 | Very low | 30.4 | Very low | 107 Ų | 107 | 157.3 Ų | 157.3 | 72% | 0.723 | 80% | 0.801 | S | S | * | * | trans | -92.8 | 155.1 | 164.5 | -63.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 394 | N | 33.8 | Very low | 30.4 | Very low | 239 Ų | 239 | 151.5 Ų | 151.5 | 100% | 1.278 | 80% | 0.795 | S | S | * | * | trans | -145.4 | 0 | 148.3 | -104.6 | -3.4 | 0 | 0 | 0 | 107.7 |
Retrieved 394 of 394 residues in 1872.7 ms
(Link to these results)