| 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 | 38.5 | Very low | 36.4 | Very low | 221 Ų | 221 | 134.7 Ų | 134.7 | 100% | 1.089 | 72% | 0.718 | S | S | * | * | 0 | -32.9 | 0 | -128.4 | 174.3 | -71.1 | 0 | 0 | 114.1 | |||||
| 2 | K | 29.5 | Very low | 36.7 | Very low | 197 Ų | 197 | 130.1 Ų | 130.1 | 86% | 0.857 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | -27 | 179.8 | -65.3 | -175.6 | 177.3 | -177.7 | 0 | 115.3 | L4 | K2-L4 PolarHBondContact O-N 3.46Š|
| 3 | H | 33.5 | Very low | 36.7 | Very low | 176 Ų | 176 | 128.9 Ų | 128.9 | 82% | 0.815 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -75 | -17.4 | -179.4 | -68.6 | -77.6 | 0 | 0 | 0 | 115.6 | ||
| 4 | L | 36.4 | Very low | 36.5 | Very low | 137 Ų | 137 | 130.3 Ų | 130.3 | 72% | 0.717 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -82.8 | -14.8 | -179 | -153.3 | 74.3 | 0 | 0 | 0 | 113 | K2 | K2-L4 PolarHBondContact O-N 3.46Å |
| 5 | V | 39.7 | Very low | 37.3 | Very low | 87 Ų | 87 | 129.9 Ų | 129.9 | 53% | 0.527 | 72% | 0.716 | S | S | . | * | H | α-helix | trans | -86.7 | -28.9 | 177.8 | -177.3 | 0 | 0 | 0 | 0 | 111.2 | T7 L8 L9 | V5-T7 VanDerWaalsContact C-N 3.35Å; V5-T7 PolarHBondContact O-N 3.27Å; V5-L8 PolarHBondContact O-N 3.41Å; V5-L9 HydrophobicContact CG1-CD1 4.18Å; V5-L9 PolarHBondContact O-N 3.5Å |
| 6 | G | 29.5 | Very low | 37.1 | Very low | 44 Ų | 44 | 127.4 Ų | 127.4 | 45% | 0.454 | 71% | 0.711 | S | S | . | * | H | α-helix | trans | -62.9 | -36.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | L8 L9 | G6-L8 VanDerWaalsContact C-N 3.32Å; G6-L8 PolarHBondContact O-N 3.46Å; G6-L9 PolarHBondContact O-N 3.46Å |
| 7 | T | 42.1 | Very low | 37 | Very low | 102 Ų | 102 | 129.8 Ų | 129.8 | 63% | 0.626 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | -24.7 | 179.1 | -33 | 0 | 0 | 0 | 0 | 113.1 | V5 | V5-T7 VanDerWaalsContact C-N 3.35Å; V5-T7 PolarHBondContact O-N 3.27Å |
| 8 | L | 37.5 | Very low | 36.5 | Very low | 125 Ų | 125 | 129.2 Ų | 129.2 | 65% | 0.654 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -20.2 | 179.3 | -92.3 | 153 | 0 | 0 | 0 | 113.4 | V5 G6 | V5-L8 PolarHBondContact O-N 3.41Å; G6-L8 VanDerWaalsContact C-N 3.32Å; G6-L8 PolarHBondContact O-N 3.46Å |
| 9 | L | 35.2 | Very low | 36.2 | Very low | 109 Ų | 109 | 129.3 Ų | 129.3 | 57% | 0.571 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -87.1 | -10.8 | 179.9 | -76.4 | 165.1 | 0 | 0 | 0 | 114.1 | V5 G6 V11 S12 | V5-L9 HydrophobicContact CG1-CD1 4.18Å; V5-L9 PolarHBondContact O-N 3.5Å; G6-L9 PolarHBondContact O-N 3.46Å; L9-V11 PolarHBondContact O-N 3.14Å; L9-S12 PolarHBondContact O-OG 3.03Å |
| 10 | L | 37.3 | Very low | 36.1 | Very low | 154 Ų | 154 | 129.4 Ų | 129.4 | 81% | 0.806 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -76.5 | -9 | 173.6 | -100.7 | 150.8 | 0 | 0 | 0 | 113.6 | ||
| 11 | V | 41.3 | Very low | 35.7 | Very low | 130 Ų | 130 | 127.7 Ų | 127.7 | 79% | 0.788 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -88.7 | -7.9 | 179.7 | -175.3 | 0 | 0 | 0 | 0 | 112.3 | L9 | L9-V11 PolarHBondContact O-N 3.14Š|
| 12 | S | 40.3 | Very low | 35.4 | Very low | 79 Ų | 79 | 122.7 Ų | 122.7 | 55% | 0.552 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -119 | 15.6 | -166.8 | 59.3 | 0 | 0 | 0 | 0 | 116.5 | L9 | L9-S12 PolarHBondContact O-OG 3.03Š|
| 13 | V | 36 | Very low | 35.7 | Very low | 115 Ų | 115 | 118.8 Ų | 118.8 | 70% | 0.697 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -135.2 | 77.5 | 179.5 | -169.6 | 0 | 0 | 0 | 0 | 112.4 | ||
| 14 | L | 33.6 | Very low | 35.8 | Very low | 148 Ų | 148 | 116.1 Ų | 116.1 | 78% | 0.775 | 71% | 0.706 | S | S | * | * | 169 | 95.2 | 129.4 | -94.6 | 159.3 | 0 | 0 | 0 | 112.1 | |||||
| 15 | P | 48.5 | Very low | 35.6 | Very low | 125 Ų | 125 | 116.9 Ų | 116.9 | 81% | 0.812 | 71% | 0.711 | S | S | * | * | trans | -91.7 | 87.8 | 157.1 | 33.6 | -26 | 0 | 0 | 0 | 108.7 | ||||
| 16 | S | 35.4 | Very low | 35.8 | Very low | 90 Ų | 90 | 120.1 Ų | 120.1 | 63% | 0.629 | 72% | 0.718 | S | S | * | * | trans | -158.3 | 132.7 | 172.1 | -79.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 17 | L | 35 | Very low | 35.9 | Very low | 167 Ų | 167 | 127.4 Ų | 127.4 | 87% | 0.874 | 74% | 0.74 | S | S | * | * | trans | 65.1 | 87.6 | 162.5 | -59.6 | 164.4 | 0 | 0 | 0 | 117.1 | ||||
| 18 | C | 28.4 | Very low | 35.7 | Very low | 119 Ų | 119 | 126.6 Ų | 126.6 | 80% | 0.804 | 74% | 0.738 | S | S | * | * | -159.6 | 92.1 | 123.7 | -111 | 0 | 0 | 0 | 0 | 110 | V20 | C18-V20 PolarHBondContact O-N 3.1Å; C18-V20 VanDerWaalsContact O-N 3.1Å | |||
| 19 | T | 30.6 | Very low | 35.6 | Very low | 132 Ų | 132 | 124 Ų | 124 | 81% | 0.81 | 74% | 0.741 | S | S | * | * | trans | -67 | 99.6 | 157.8 | 43.5 | 0 | 0 | 0 | 0 | 107.5 | S21 | T19-S21 PolarHBondContact O-N 3.14Š| ||
| 20 | V | 32.9 | Very low | 35.8 | Very low | 130 Ų | 130 | 124.2 Ų | 124.2 | 79% | 0.788 | 74% | 0.741 | S | S | * | * | trans | -73.1 | 94.8 | 175.3 | -178.7 | 0 | 0 | 0 | 0 | 108.3 | C18 | C18-V20 PolarHBondContact O-N 3.1Å; C18-V20 VanDerWaalsContact O-N 3.1Å | ||
| 21 | S | 27.7 | Very low | 36 | Very low | 94 Ų | 94 | 119.4 Ų | 119.4 | 66% | 0.657 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 141.4 | 161.3 | -62.1 | 0 | 0 | 0 | 0 | 109.2 | T19 | T19-S21 PolarHBondContact O-N 3.14Š|
| 22 | P | 32.3 | Very low | 36.1 | Very low | 116 Ų | 116 | 117.6 Ų | 117.6 | 75% | 0.753 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 137.9 | 175.1 | 27.8 | -33.7 | 0 | 0 | 0 | 110 | ||
| 23 | P | 36.6 | Very low | 36.4 | Very low | 115 Ų | 115 | 117.9 Ų | 117.9 | 75% | 0.747 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 149.8 | 172.4 | 30.6 | -34.1 | 0 | 0 | 0 | 110.5 | ||
| 24 | P | 34.7 | Very low | 37.2 | Very low | 121 Ų | 121 | 113.3 Ų | 113.3 | 79% | 0.786 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 139.9 | 177.8 | 31.2 | -34.3 | 0 | 0 | 0 | 112.1 | ||
| 25 | D | 33.9 | Very low | 38 | Very low | 152 Ų | 152 | 106.8 Ų | 106.8 | 81% | 0.813 | 63% | 0.625 | S | S | * | * | trans | 20.2 | 103.6 | 159.3 | -56.3 | -28.6 | 0 | 0 | 0 | 120.6 | ||||
| 26 | F | 43.6 | Very low | 38.2 | Very low | 156 Ų | 156 | 101.4 Ų | 101.4 | 68% | 0.684 | 59% | 0.591 | S | S | * | * | 59.8 | 93.9 | 119.2 | -119 | -102.8 | 0 | 0 | 0 | 119.9 | C43 | F26-C43 HydrophobicContact CE1-CB 3.9Å; F26-C43 WeakPolarHBondContact CE1-SG 3.42Å; F26-C43 HydrophobicContact CZ-CB 3.88Å | |||
| 27 | E | 31.1 | Very low | 39 | Very low | 197 Ų | 197 | 97.3 Ų | 97.3 | 92% | 0.921 | 56% | 0.562 | S | S | * | * | trans | -119.1 | 132.5 | 144.5 | -75.7 | -159.2 | 130.5 | 0 | 0 | 110.6 | ||||
| 28 | C | 37.4 | Very low | 39.9 | Very low | 85 Ų | 85 | 93.9 Ų | 93.9 | 57% | 0.574 | 54% | 0.538 | S | S | * | . | trans | -97 | 102.8 | -169.9 | -156.6 | 0 | 0 | 0 | 0 | 111.7 | C43 | C28-C43 WeakPolarHBondContact CB-SG 3.44Å; C28-C43 WeakPolarHBondContact SG-CB 3.38Å; C28-C43 PolarHBondContact SG-N 3.43Å; C28-C43 CovalentContact SG-SG 2.04Å; C28-C43 PolarHBondContact SG-SG 3.09Å | ||
| 29 | G | 35.3 | Very low | 41.2 | Very low | 70 Ų | 70 | 88.3 Ų | 88.3 | 72% | 0.722 | 50% | 0.5 | S | S | * | . | trans | 167.5 | 17.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 30 | M | 39.3 | Very low | 42.3 | Very low | 114 Ų | 114 | 84.5 Ų | 84.5 | 56% | 0.562 | 48% | 0.476 | S | S | * | . | trans | -93.1 | 132.5 | -173.1 | -69.6 | -83.7 | -82.3 | 0 | 0 | 112.8 | Y32 T41 | M30-Y32 HydrophobicContact CB-CD2 4.46Å; M30-Y32 HydrophobicContact CB-CE2 3.7Å; M30-Y32 HydrophobicContact CE-CE1 4.42Å; M30-T41 PolarHBondContact O-N 3.24Å | ||
| 31 | S | 41.8 | Very low | 43.2 | Very low | 53 Ų | 53 | 80.4 Ų | 80.4 | 37% | 0.371 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 138 | 166 | -175.8 | 0 | 0 | 0 | 0 | 109.1 | R38 V39 | S31-R38 WeakPolarHBondContact OG-CD 3.4Å; S31-R38 WeakPolarHBondContact OG-CG 3.46Å; S31-V39 WeakPolarHBondContact CA-O 3.49Å; S31-V39 PolarHBondContact OG-O 3.45Å |
| 32 | Y | 43.7 | Very low | 44.4 | Very low | 92 Ų | 92 | 84.8 Ų | 84.8 | 36% | 0.361 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 140.5 | 178.6 | -59.3 | -88.9 | 0 | 0 | 0 | 109.9 | M30 V39 T41 E219 | M30-Y32 HydrophobicContact CB-CD2 4.46Å; M30-Y32 HydrophobicContact CB-CE2 3.7Å; M30-Y32 HydrophobicContact CE-CE1 4.42Å; Y32-V39 PolarHBondContact N-O 3.15Å; Y32-V39 PolarHBondContact O-N 3.15Å; Y32-V39 VanDerWaalsContact O-O 3.06Å; Y32-T41 WeakPolarHBondContact CD2-OG1 3.21Å; Y32-E219 VanDerWaalsContact CA-OE2 3.31Å; Y32-E219 WeakPolarHBondContact CA-OE2 3.42Å |
| 33 | R | 46.6 | Very low | 45.1 | Very low | 84 Ų | 84 | 81.8 Ų | 81.8 | 32% | 0.317 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 117.6 | 169.9 | -64.5 | 178.2 | 169.1 | -110.4 | 23 | 111 | R38 E219 D294 | R33-R38 HydrophobicContact CG-CG 4.36Å; R33-E219 HydrophobicContact CB-CB 4.33Å; R33-E219 HydrophobicContact CB-CG 3.94Å; R33-E219 WeakPolarHBondContact CB-OE1 3.42Å; R33-E219 WeakPolarHBondContact CD-OE1 3.46Å; R33-E219 VanDerWaalsContact CG-OE1 3.24Å; R33-E219 WeakPolarHBondContact CG-OE1 3.5Å; R33-E219 VanDerWaalsContact N-CD 3.34Å; R33-E219 PolarHBondContact N-OE2 3.45Å; R33-E219 WeakPolarHBondContact O-CA 3.46Å; R33-E219 WeakPolarHBondContact O-CB 3.48Å; R33-E219 PolarHBondContact O-N 3.13Å; R33-D294 VanDerWaalsContact CZ-CG 3.48Å; R33-D294 IonicContact CZ-OD1 2.73Å; R33-D294 IonicContact CZ-OD2 2.72Å; R33-D294 IonicContact NE-OD2 3.64Å; R33-D294 PolarHBondContact NE-OD2 3.47Å; R33-D294 IonicContact NH1-OD1 3.48Å; R33-D294 PolarHBondContact NH1-OD1 3.33Å; R33-D294 IonicContact NH1-OD2 2.8Å; R33-D294 PolarHBondContact NH1-OD2 3.35Å; R33-D294 IonicContact NH2-OD1 3.8Å; R33-D294 IonicContact NH2-OD2 3.21Å; R33-D294 PolarHBondContact NH2-OD2 2.96Å |
| 34 | L | 52.3 | Low | 45.7 | Very low | 19 Ų | 19 | 83.5 Ų | 83.5 | 10% | 0.099 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 72.8 | 175.5 | -89.4 | 84.9 | 0 | 0 | 0 | 113 | A36 F37 V39 A216 L217 P218 | L34-A36 PolarHBondContact O-N 3.01Å; L34-F37 CarbonylContact C-O 3.47Å; L34-F37 VanDerWaalsContact CA-O 3.29Å; L34-F37 WeakPolarHBondContact CA-O 3.39Å; L34-F37 WeakPolarHBondContact CB-O 3.42Å; L34-F37 PolarHBondContact N-O 3.47Å; L34-F37 PolarHBondContact O-N 3.09Å; L34-V39 HydrophobicContact CB-CG2 4.09Å; L34-V39 HydrophobicContact CD1-CB 3.79Å; L34-V39 HydrophobicContact CD1-CG2 3.73Å; L34-V39 HydrophobicContact CD2-CG2 4.42Å; L34-V39 HydrophobicContact CG-CG2 4.24Å; L34-A216 HydrophobicContact CB-CB 4.36Å; L34-A216 HydrophobicContact CD2-CB 4.04Å; L34-L217 CarbonylContact C-O 3.44Å; L34-L217 WeakPolarHBondContact CA-O 3.37Å; L34-L217 VanDerWaalsContact CG-C 3.5Å; L34-P218 HydrophobicContact CD2-CG 4.34Å |
| 35 | R | 51.7 | Low | 46.6 | Very low | 11 Ų | 11 | 81.4 Ų | 81.4 | 4% | 0.042 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 0.9 | 157.5 | -166.5 | -115.4 | 172.7 | 133.3 | -2.4 | 120.1 | Y142 H214 L217 Q222 T291 Y292 | R35-Y142 PolarHBondContact NH2-OH 3.25Å; R35-H214 PolarHBondContact NH1-CD2 3Å; R35-H214 PolarHBondContact NH1-CE1 2.83Å; R35-H214 VanDerWaalsContact NH1-CG 3.31Å; R35-H214 PolarHBondContact NH1-ND1 3.26Å; R35-H214 PolarHBondContact NH1-NE2 2.85Å; R35-H214 PolarHBondContact NH1-O 2.77Å; R35-H214 PolarHBondContact NH2-CD2 2.72Å; R35-H214 PolarHBondContact NH2-NE2 2.9Å; R35-L217 HydrophobicContact CB-CB 3.73Å; R35-L217 HydrophobicContact CB-CD2 4.32Å; R35-L217 HydrophobicContact CB-CG 4.49Å; R35-L217 HydrophobicContact CG-CB 4.12Å; R35-L217 HydrophobicContact CG-CD2 4.03Å; R35-Q222 HydrophobicContact CB-CG 4.3Å; R35-Q222 HydrophobicContact CG-CG 4.23Å; R35-T291 WeakPolarHBondContact O-CG2 3.47Å; R35-Y292 HydrophobicContact CG-CD1 4.44Å; R35-Y292 HydrophobicContact CG-CE1 3.85Å; R35-Y292 VanDerWaalsContact CZ-CZ 3.45Å; R35-Y292 PolarHBondContact NE-OH 3.43Å; R35-Y292 PolarHBondContact NH1-OH 2.88Å; R35-Y292 VanDerWaalsContact NH2-CE2 3.26Å; R35-Y292 PolarHBondContact NH2-OH 3.45Å; R35-Y292 VanDerWaalsContact NH2-OH 3.12Å |
| 36 | A | 51.9 | Low | 47.7 | Very low | 12 Ų | 12 | 76.1 Ų | 76.1 | 10% | 0.099 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -166.2 | -42.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 106.3 | L34 D215 D301 Y303 | L34-A36 PolarHBondContact O-N 3.01Å; A36-D215 VanDerWaalsContact CB-O 3.29Å; A36-D215 WeakPolarHBondContact CB-O 3.18Å; A36-D301 VanDerWaalsContact O-OD1 3.07Å; A36-Y303 HydrophobicContact CB-CD2 3.19Å; A36-Y303 HydrophobicContact CB-CE2 3.68Å; A36-Y303 HydrophobicContact CB-CG 3.75Å |
| 37 | F | 51.8 | Low | 48.3 | Very low | 5 Ų | 5 | 70.2 Ų | 70.2 | 2% | 0.022 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 143.1 | -169.6 | -51.5 | -60.5 | 0 | 0 | 0 | 113.8 | L34 V39 L48 Q52 E55 I56 Y303 | L34-F37 CarbonylContact C-O 3.47Å; L34-F37 VanDerWaalsContact CA-O 3.29Å; L34-F37 WeakPolarHBondContact CA-O 3.39Å; L34-F37 WeakPolarHBondContact CB-O 3.42Å; L34-F37 PolarHBondContact N-O 3.47Å; L34-F37 PolarHBondContact O-N 3.09Å; F37-V39 PolarHBondContact O-N 3.5Å; F37-L48 HydrophobicContact CB-CD2 3.24Å; F37-L48 HydrophobicContact CD2-CD2 4.17Å; F37-L48 HydrophobicContact CG-CD2 3.93Å; F37-Q52 HydrophobicContact CB-CB 3.91Å; F37-Q52 HydrophobicContact CB-CG 4.24Å; F37-Q52 HydrophobicContact CD1-CB 3.37Å; F37-Q52 HydrophobicContact CD1-CG 3.52Å; F37-Q52 HydrophobicContact CE1-CB 4.09Å; F37-Q52 HydrophobicContact CE1-CG 4.3Å; F37-Q52 HydrophobicContact CG-CB 3.86Å; F37-Q52 HydrophobicContact CG-CG 4.29Å; F37-E55 HydrophobicContact CE1-CB 4.11Å; F37-I56 HydrophobicContact CD2-CD1 3.65Å; F37-I56 HydrophobicContact CD2-CG1 3.89Å; F37-I56 HydrophobicContact CE1-CG1 4.18Å; F37-I56 HydrophobicContact CE2-CD1 3.4Å; F37-I56 VanDerWaalsContact CE2-CD1 3.4Å; F37-I56 HydrophobicContact CE2-CG1 3.15Å; F37-I56 HydrophobicContact CZ-CD1 4.03Å; F37-I56 HydrophobicContact CZ-CG1 3.28Å; F37-Y303 AromaticContact CE1-CD1 3.87Å; F37-Y303 HydrophobicContact CE1-CD1 3.87Å; F37-Y303 HydrophobicContact CE1-CE1 4.39Å; F37-Y303 HydrophobicContact CE1-CG 4.16Å; F37-Y303 HydrophobicContact CE2-CD1 4.14Å; F37-Y303 HydrophobicContact CE2-CD2 4.43Å; F37-Y303 AromaticContact CE2-CE1 4Å; F37-Y303 HydrophobicContact CE2-CE1 4Å; F37-Y303 HydrophobicContact CE2-CE2 4.23Å; F37-Y303 HydrophobicContact CE2-CG 4.34Å; F37-Y303 AromaticContact CZ-CD1 3.31Å; F37-Y303 HydrophobicContact CZ-CD1 3.31Å; F37-Y303 HydrophobicContact CZ-CD2 4.29Å; F37-Y303 AromaticContact CZ-CE1 3.42Å; F37-Y303 HydrophobicContact CZ-CE1 3.42Å; F37-Y303 VanDerWaalsContact CZ-CE1 3.42Å; F37-Y303 HydrophobicContact CZ-CE2 4.33Å; F37-Y303 AromaticContact CZ-CG 3.76Å; F37-Y303 HydrophobicContact CZ-CG 3.76Å; F37-Y303 AromaticContact CZ-CZ 3.93Å |
| 38 | R | 55 | Low | 49.8 | Very low | 95 Ų | 95 | 61.4 Ų | 61.4 | 36% | 0.358 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 119.2 | 175.2 | -167.7 | -171.1 | -87.7 | -169.2 | -1.9 | 109.2 | S31 R33 K49 Q52 | S31-R38 WeakPolarHBondContact OG-CD 3.4Å; S31-R38 WeakPolarHBondContact OG-CG 3.46Å; R33-R38 HydrophobicContact CG-CG 4.36Å; R38-K49 HydrophobicContact CB-CD 4.31Å; R38-K49 PolarHBondContact O-N 2.87Å; R38-Q52 PolarHBondContact O-OE1 3.23Å |
| 39 | V | 55 | Low | 51 | Low | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.006 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 137.2 | 176.4 | 174.2 | 0 | 0 | 0 | 0 | 109.5 | S31 Y32 L34 F37 T46 T47 L48 | S31-V39 WeakPolarHBondContact CA-O 3.49Å; S31-V39 PolarHBondContact OG-O 3.45Å; Y32-V39 PolarHBondContact N-O 3.15Å; Y32-V39 PolarHBondContact O-N 3.15Å; Y32-V39 VanDerWaalsContact O-O 3.06Å; L34-V39 HydrophobicContact CB-CG2 4.09Å; L34-V39 HydrophobicContact CD1-CB 3.79Å; L34-V39 HydrophobicContact CD1-CG2 3.73Å; L34-V39 HydrophobicContact CD2-CG2 4.42Å; L34-V39 HydrophobicContact CG-CG2 4.24Å; F37-V39 PolarHBondContact O-N 3.5Å; V39-T46 HydrophobicContact CG1-CG2 4.43Å; V39-T47 CarbonylContact C-O 3.46Å; V39-T47 VanDerWaalsContact CA-O 3.31Å; V39-T47 WeakPolarHBondContact CA-O 3.48Å; V39-T47 WeakPolarHBondContact CG1-O 3.43Å; V39-L48 HydrophobicContact CG2-CD2 3.78Å; V39-L48 HydrophobicContact CG2-CG 4.39Å |
| 40 | T | 53.3 | Low | 52.3 | Low | 53 Ų | 53 | 65.5 Ų | 65.5 | 33% | 0.325 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 118.4 | 166.2 | -48.1 | 0 | 0 | 0 | 0 | 106.4 | T47 | T40-T47 PolarHBondContact N-O 3.37Å; T40-T47 PolarHBondContact O-N 2.9Å; T40-T47 PolarHBondContact O-OG1 3.15Å |
| 41 | T | 52.9 | Low | 53.3 | Low | 43 Ų | 43 | 65.7 Ų | 65.7 | 26% | 0.264 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 108.4 | 174.7 | -54.7 | 0 | 0 | 0 | 0 | 107.9 | M30 Y32 | M30-T41 PolarHBondContact O-N 3.24Å; Y32-T41 WeakPolarHBondContact CD2-OG1 3.21Å |
| 42 | R | 51.7 | Low | 54.4 | Low | 187 Ų | 187 | 64.1 Ų | 64.1 | 71% | 0.706 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 149.9 | 160 | -61.7 | -164.4 | -159.3 | -161.5 | 8.7 | 107.3 | N44 L45 | R42-N44 PolarHBondContact O-N 2.89Å; R42-L45 PolarHBondContact N-O 3.42Å; R42-L45 VanDerWaalsContact N-O 3.13Å; R42-L45 PolarHBondContact O-N 3.07Å |
| 43 | C | 47.3 | Very low | 55.5 | Low | 52 Ų | 52 | 60.8 Ų | 60.8 | 35% | 0.351 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.5 | 117.3 | -172.3 | -68.9 | 0 | 0 | 0 | 0 | 112.6 | F26 C28 | F26-C43 HydrophobicContact CE1-CB 3.9Å; F26-C43 WeakPolarHBondContact CE1-SG 3.42Å; F26-C43 HydrophobicContact CZ-CB 3.88Å; C28-C43 WeakPolarHBondContact CB-SG 3.44Å; C28-C43 WeakPolarHBondContact SG-CB 3.38Å; C28-C43 PolarHBondContact SG-N 3.43Å; C28-C43 CovalentContact SG-SG 2.04Å; C28-C43 PolarHBondContact SG-SG 3.09Å |
| 44 | N | 50.4 | Low | 56.5 | Low | 152 Ų | 152 | 63.4 Ų | 63.4 | 81% | 0.813 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.8 | 8.8 | -173.7 | -51.3 | -17.7 | 0 | 0 | 0 | 118.3 | R42 | R42-N44 PolarHBondContact O-N 2.89Š|
| 45 | L | 53 | Low | 57.3 | Low | 76 Ų | 76 | 64.2 Ų | 64.2 | 40% | 0.398 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 122.3 | -177.8 | -155.3 | 161.4 | 0 | 0 | 0 | 113 | R42 T47 D206 | R42-L45 PolarHBondContact N-O 3.42Å; R42-L45 VanDerWaalsContact N-O 3.13Å; R42-L45 PolarHBondContact O-N 3.07Å; L45-T47 HydrophobicContact CD2-CG2 3.45Å; L45-T47 VanDerWaalsContact CD2-CG2 3.45Å; L45-D206 HydrophobicContact CD2-CB 3.77Å; L45-D206 HydrophobicContact CG-CB 3.71Å |
| 46 | T | 56.7 | Low | 58.2 | Low | 41 Ų | 41 | 63.8 Ų | 63.8 | 25% | 0.252 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 95.7 | 174.5 | 55.7 | 0 | 0 | 0 | 0 | 111.5 | V39 D206 | V39-T46 HydrophobicContact CG1-CG2 4.43Å; T46-D206 WeakPolarHBondContact CB-OD2 3.5Å; T46-D206 PolarHBondContact N-OD2 3.23Å; T46-D206 PolarHBondContact O-N 2.87Å; T46-D206 PolarHBondContact OG1-N 2.96Å; T46-D206 PolarHBondContact OG1-OD2 3.46Å |
| 47 | T | 56.4 | Low | 59.3 | Low | 32 Ų | 32 | 68.4 Ų | 68.4 | 20% | 0.196 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 127.9 | 176.8 | 29.5 | 0 | 0 | 0 | 0 | 112.3 | V39 T40 L45 D207 | V39-T47 CarbonylContact C-O 3.46Å; V39-T47 VanDerWaalsContact CA-O 3.31Å; V39-T47 WeakPolarHBondContact CA-O 3.48Å; V39-T47 WeakPolarHBondContact CG1-O 3.43Å; T40-T47 PolarHBondContact N-O 3.37Å; T40-T47 PolarHBondContact O-N 2.9Å; T40-T47 PolarHBondContact O-OG1 3.15Å; L45-T47 HydrophobicContact CD2-CG2 3.45Å; L45-T47 VanDerWaalsContact CD2-CG2 3.45Å; T47-D207 HydrophobicContact CG2-CB 3.88Å |
| 48 | L | 62.1 | Low | 60.5 | Low | 12 Ų | 12 | 69.4 Ų | 69.4 | 6% | 0.063 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 157 | 163.1 | -73.6 | 166.2 | 0 | 0 | 0 | 111.2 | F37 V39 V53 I56 L205 | F37-L48 HydrophobicContact CB-CD2 3.24Å; F37-L48 HydrophobicContact CD2-CD2 4.17Å; F37-L48 HydrophobicContact CG-CD2 3.93Å; V39-L48 HydrophobicContact CG2-CD2 3.78Å; V39-L48 HydrophobicContact CG2-CG 4.39Å; L48-V53 HydrophobicContact CB-CG2 3.56Å; L48-V53 HydrophobicContact CD1-CG2 4.16Å; L48-I56 HydrophobicContact CD1-CD1 3.4Å; L48-I56 VanDerWaalsContact CD1-CD1 3.4Å; L48-L205 HydrophobicContact CD1-CD1 3.65Å; L48-L205 HydrophobicContact CD1-CD2 4.46Å; L48-L205 HydrophobicContact CG-CD1 4.37Å; L48-L205 HydrophobicContact CG-CD2 4.31Å |
| 49 | K | 63.3 | Low | 61.6 | Low | 94 Ų | 94 | 69.2 Ų | 69.2 | 41% | 0.409 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 145.1 | 163.4 | -73.7 | -178.1 | 168.1 | -179.9 | 0 | 110.4 | R38 K51 Q52 V53 | R38-K49 HydrophobicContact CB-CD 4.31Å; R38-K49 PolarHBondContact O-N 2.87Å; K49-K51 VanDerWaalsContact C-N 3.27Å; K49-K51 PolarHBondContact O-N 3.11Å; K49-K51 VanDerWaalsContact O-N 3.14Å; K49-Q52 HydrophobicContact CB-CB 4.47Å; K49-Q52 HydrophobicContact CB-CG 4.46Å; K49-Q52 WeakPolarHBondContact O-CA 3.31Å; K49-Q52 WeakPolarHBondContact O-CB 3.17Å; K49-Q52 PolarHBondContact O-N 3.09Å; K49-V53 PolarHBondContact O-N 3.2Å |
| 50 | E | 61.6 | Low | 62.9 | Low | 147 Ų | 147 | 71.7 Ų | 71.7 | 69% | 0.687 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -52.8 | -39.6 | 179 | -65.9 | -174.9 | -172.3 | 0 | 0 | 114.3 | Q52 V53 K54 | E50-Q52 PolarHBondContact O-N 3.26Å; E50-V53 PolarHBondContact O-N 3.21Å; E50-K54 WeakPolarHBondContact O-CB 3.37Å; E50-K54 WeakPolarHBondContact O-CG 3.31Å; E50-K54 PolarHBondContact O-N 3.36Å; E50-K54 IonicContact OE2-NZ 3.94Å |
| 51 | K | 60.1 | Low | 64.3 | Low | 119 Ų | 119 | 69.2 Ų | 69.2 | 52% | 0.517 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -56.2 | -36.1 | 176.3 | -170.4 | -168.5 | 179.7 | -150 | 0 | 111.3 | K49 K54 E55 | K49-K51 VanDerWaalsContact C-N 3.27Å; K49-K51 PolarHBondContact O-N 3.11Å; K49-K51 VanDerWaalsContact O-N 3.14Å; K51-K54 WeakPolarHBondContact O-CB 3.42Å; K51-K54 PolarHBondContact O-N 3.37Å; K51-E55 WeakPolarHBondContact CE-OE1 3.42Å; K51-E55 IonicContact NZ-OE1 3.48Å; K51-E55 PolarHBondContact NZ-OE1 3.06Å; K51-E55 WeakPolarHBondContact O-CG 3.42Å; K51-E55 PolarHBondContact O-N 2.95Å |
| 52 | Q | 65.7 | Low | 65.9 | Low | 19 Ų | 19 | 68.7 Ų | 68.7 | 9% | 0.089 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -89.8 | -33 | -170.5 | -69.6 | 178.3 | -45.1 | 0 | 0 | 111.6 | F37 R38 K49 E50 K54 E55 I56 D301 | F37-Q52 HydrophobicContact CB-CB 3.91Å; F37-Q52 HydrophobicContact CB-CG 4.24Å; F37-Q52 HydrophobicContact CD1-CB 3.37Å; F37-Q52 HydrophobicContact CD1-CG 3.52Å; F37-Q52 HydrophobicContact CE1-CB 4.09Å; F37-Q52 HydrophobicContact CE1-CG 4.3Å; F37-Q52 HydrophobicContact CG-CB 3.86Å; F37-Q52 HydrophobicContact CG-CG 4.29Å; R38-Q52 PolarHBondContact O-OE1 3.23Å; K49-Q52 HydrophobicContact CB-CB 4.47Å; K49-Q52 HydrophobicContact CB-CG 4.46Å; K49-Q52 WeakPolarHBondContact O-CA 3.31Å; K49-Q52 WeakPolarHBondContact O-CB 3.17Å; K49-Q52 PolarHBondContact O-N 3.09Å; E50-Q52 PolarHBondContact O-N 3.26Å; Q52-K54 VanDerWaalsContact C-N 3.29Å; Q52-K54 PolarHBondContact O-N 2.79Å; Q52-E55 PolarHBondContact O-N 3.48Å; Q52-I56 WeakPolarHBondContact O-CG1 3.4Å; Q52-I56 PolarHBondContact O-N 2.86Å; Q52-D301 PolarHBondContact NE2-OD2 2.95Å |
| 53 | V | 66.8 | Low | 67.7 | Low | 22 Ų | 22 | 64.2 Ų | 64.2 | 13% | 0.133 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -56.3 | -46.1 | 161.7 | -179.5 | 0 | 0 | 0 | 0 | 110.4 | L48 K49 E50 E55 I56 Q57 P208 | L48-V53 HydrophobicContact CB-CG2 3.56Å; L48-V53 HydrophobicContact CD1-CG2 4.16Å; K49-V53 PolarHBondContact O-N 3.2Å; E50-V53 PolarHBondContact O-N 3.21Å; V53-E55 VanDerWaalsContact C-N 3.3Å; V53-E55 PolarHBondContact O-N 2.75Å; V53-I56 PolarHBondContact O-N 3.37Å; V53-Q57 HydrophobicContact CG1-CG 4.42Å; V53-Q57 VanDerWaalsContact O-CB 3.29Å; V53-Q57 WeakPolarHBondContact O-CB 3.47Å; V53-Q57 WeakPolarHBondContact O-CG 3.04Å; V53-Q57 PolarHBondContact O-N 3.14Å; V53-P208 HydrophobicContact CG1-CG 4.27Å |
| 54 | K | 66.9 | Low | 69.9 | Low | 140 Ų | 140 | 65.3 Ų | 65.3 | 61% | 0.609 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -62.8 | -32 | 176.4 | -72.9 | 167.1 | -179.1 | 163.5 | 0 | 113.2 | E50 K51 Q52 A58 | E50-K54 WeakPolarHBondContact O-CB 3.37Å; E50-K54 WeakPolarHBondContact O-CG 3.31Å; E50-K54 PolarHBondContact O-N 3.36Å; E50-K54 IonicContact OE2-NZ 3.94Å; K51-K54 WeakPolarHBondContact O-CB 3.42Å; K51-K54 PolarHBondContact O-N 3.37Å; Q52-K54 VanDerWaalsContact C-N 3.29Å; Q52-K54 PolarHBondContact O-N 2.79Å; K54-A58 WeakPolarHBondContact O-CA 3.49Å; K54-A58 WeakPolarHBondContact O-CB 3.36Å; K54-A58 PolarHBondContact O-N 3.29Å |
| 55 | E | 69.8 | Low | 71.9 | Confident | 35 Ų | 35 | 58.1 Ų | 58.1 | 16% | 0.164 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -77.2 | -40.3 | 176.4 | -75.6 | 164.6 | -169.4 | 0 | 0 | 112.7 | F37 K51 Q52 V53 Q57 A58 T61 V304 | F37-E55 HydrophobicContact CE1-CB 4.11Å; K51-E55 WeakPolarHBondContact CE-OE1 3.42Å; K51-E55 IonicContact NZ-OE1 3.48Å; K51-E55 PolarHBondContact NZ-OE1 3.06Å; K51-E55 WeakPolarHBondContact O-CG 3.42Å; K51-E55 PolarHBondContact O-N 2.95Å; Q52-E55 PolarHBondContact O-N 3.48Å; V53-E55 VanDerWaalsContact C-N 3.3Å; V53-E55 PolarHBondContact O-N 2.75Å; E55-Q57 VanDerWaalsContact C-N 3.32Å; E55-A58 WeakPolarHBondContact O-CB 3.4Å; E55-A58 PolarHBondContact O-N 2.9Å; E55-T61 WeakPolarHBondContact O-CG2 3.42Å; E55-T61 PolarHBondContact O-OG1 3.24Å; E55-V304 HydrophobicContact CB-CG2 4.41Å |
| 56 | I | 70 | Confident | 73.9 | Confident | 3 Ų | 3 | 54.5 Ų | 54.5 | 2% | 0.015 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.4 | -41.6 | 170.2 | -64.7 | 177.8 | 0 | 0 | 0 | 110.7 | F37 L48 Q52 V53 A58 T61 N62 N125 L205 I210 | F37-I56 HydrophobicContact CD2-CD1 3.65Å; F37-I56 HydrophobicContact CD2-CG1 3.89Å; F37-I56 HydrophobicContact CE1-CG1 4.18Å; F37-I56 HydrophobicContact CE2-CD1 3.4Å; F37-I56 VanDerWaalsContact CE2-CD1 3.4Å; F37-I56 HydrophobicContact CE2-CG1 3.15Å; F37-I56 HydrophobicContact CZ-CD1 4.03Å; F37-I56 HydrophobicContact CZ-CG1 3.28Å; L48-I56 HydrophobicContact CD1-CD1 3.4Å; L48-I56 VanDerWaalsContact CD1-CD1 3.4Å; Q52-I56 WeakPolarHBondContact O-CG1 3.4Å; Q52-I56 PolarHBondContact O-N 2.86Å; V53-I56 PolarHBondContact O-N 3.37Å; I56-A58 VanDerWaalsContact C-N 3.3Å; I56-T61 PolarHBondContact O-OG1 3.35Å; I56-N62 PolarHBondContact O-ND2 3.4Å; I56-N62 PolarHBondContact O-OD1 3.2Å; I56-N125 HydrophobicContact CG2-CB 3.81Å; I56-N125 PolarHBondContact O-ND2 3Å; I56-L205 HydrophobicContact CD1-CD1 4.36Å; I56-I210 HydrophobicContact CG2-CD1 4.14Å |
| 57 | Q | 74.5 | Confident | 75.7 | Confident | 108 Ų | 108 | 56.3 Ų | 56.3 | 51% | 0.505 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -0.2 | -177.7 | -65.9 | -175.7 | -15.1 | 0 | 0 | 113.8 | V53 E55 N62 | V53-Q57 HydrophobicContact CG1-CG 4.42Å; V53-Q57 VanDerWaalsContact O-CB 3.29Å; V53-Q57 WeakPolarHBondContact O-CB 3.47Å; V53-Q57 WeakPolarHBondContact O-CG 3.04Å; V53-Q57 PolarHBondContact O-N 3.14Å; E55-Q57 VanDerWaalsContact C-N 3.32Å; Q57-N62 VanDerWaalsContact CA-ND2 3.34Å; Q57-N62 WeakPolarHBondContact CA-ND2 3.31Å; Q57-N62 PolarHBondContact O-ND2 3.38Å |
| 58 | A | 78.4 | Confident | 77.6 | Confident | 26 Ų | 26 | 56.1 Ų | 56.1 | 22% | 0.215 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -62.3 | 153.2 | -177 | 0 | 0 | 0 | 0 | 0 | 112.8 | K54 E55 I56 T60 T61 N62 | K54-A58 WeakPolarHBondContact O-CA 3.49Å; K54-A58 WeakPolarHBondContact O-CB 3.36Å; K54-A58 PolarHBondContact O-N 3.29Å; E55-A58 WeakPolarHBondContact O-CB 3.4Å; E55-A58 PolarHBondContact O-N 2.9Å; I56-A58 VanDerWaalsContact C-N 3.3Å; A58-T60 PolarHBondContact O-N 3.26Å; A58-T60 VanDerWaalsContact O-N 3.16Å; A58-T61 PolarHBondContact O-N 2.97Å; A58-T61 PolarHBondContact O-OG1 3.48Å; A58-N62 PolarHBondContact O-N 2.83Å |
| 59 | S | 78.5 | Confident | 79.2 | Confident | 92 Ų | 92 | 55.6 Ų | 55.6 | 64% | 0.643 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -58.1 | -27.2 | 168.5 | -49.6 | 0 | 0 | 0 | 0 | 112.2 | L63 L64 | S59-L63 WeakPolarHBondContact O-CA 3.48Å; S59-L63 VanDerWaalsContact O-CB 3.24Å; S59-L63 WeakPolarHBondContact O-CB 3.3Å; S59-L63 PolarHBondContact O-N 3.32Å; S59-L64 PolarHBondContact O-N 3.05Å |
| 60 | T | 81 | Confident | 80.8 | Confident | 53 Ų | 53 | 54.4 Ų | 54.4 | 33% | 0.325 | 28% | 0.28 | S | S | . | . | I | π-helix | trans | -62.6 | -47.3 | 176.6 | -46.6 | 0 | 0 | 0 | 0 | 111.8 | A58 L64 L65 V304 M308 | A58-T60 PolarHBondContact O-N 3.26Å; A58-T60 VanDerWaalsContact O-N 3.16Å; T60-L64 HydrophobicContact CG2-CD2 4.45Å; T60-L64 WeakPolarHBondContact O-CB 3.29Å; T60-L64 PolarHBondContact O-N 2.93Å; T60-L65 PolarHBondContact O-N 3.32Å; T60-V304 HydrophobicContact CG2-CG1 3.63Å; T60-M308 HydrophobicContact CG2-CG 4.14Å; T60-M308 HydrophobicContact CG2-SD 3.84Å |
| 61 | T | 82.6 | Confident | 82.4 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | I | π-helix | trans | -76.4 | -48.8 | 179 | 45.3 | 0 | 0 | 0 | 0 | 111.5 | E55 I56 A58 L65 P66 H121 Y303 | E55-T61 WeakPolarHBondContact O-CG2 3.42Å; E55-T61 PolarHBondContact O-OG1 3.24Å; I56-T61 PolarHBondContact O-OG1 3.35Å; A58-T61 PolarHBondContact O-N 2.97Å; A58-T61 PolarHBondContact O-OG1 3.48Å; T61-L65 HydrophobicContact CG2-CD1 4.2Å; T61-L65 WeakPolarHBondContact O-CB 3.39Å; T61-P66 WeakPolarHBondContact O-CD 3.34Å; T61-H121 PolarHBondContact O-ND1 3.41Å; T61-Y303 HydrophobicContact CG2-CE1 4.09Å |
| 62 | N | 87.6 | Confident | 84.2 | Confident | 32 Ų | 32 | 44 Ų | 44 | 17% | 0.171 | 24% | 0.238 | C | C | . | . | I | π-helix | trans | -86.8 | -13.3 | -168.4 | -64.6 | -21.7 | 0 | 0 | 0 | 114.9 | I56 Q57 A58 P66 H121 F122 G124 N125 | I56-N62 PolarHBondContact O-ND2 3.4Å; I56-N62 PolarHBondContact O-OD1 3.2Å; Q57-N62 VanDerWaalsContact CA-ND2 3.34Å; Q57-N62 WeakPolarHBondContact CA-ND2 3.31Å; Q57-N62 PolarHBondContact O-ND2 3.38Å; A58-N62 PolarHBondContact O-N 2.83Å; N62-P66 WeakPolarHBondContact O-CG 3.49Å; N62-H121 WeakPolarHBondContact CA-O 3.29Å; N62-H121 PolarHBondContact OD1-O 3.07Å; N62-F122 WeakPolarHBondContact O-CD1 3.36Å; N62-G124 WeakPolarHBondContact OD1-CA 3.33Å; N62-N125 PolarHBondContact OD1-ND2 2.62Å |
| 63 | L | 89.9 | Confident | 85.7 | Confident | 93 Ų | 93 | 45.8 Ų | 45.8 | 49% | 0.487 | 25% | 0.246 | S | C | . | . | I | π-helix | trans | -124.3 | -50.3 | 178.8 | -175.2 | 65.6 | 0 | 0 | 0 | 112 | S59 P66 I67 F122 | S59-L63 WeakPolarHBondContact O-CA 3.48Å; S59-L63 VanDerWaalsContact O-CB 3.24Å; S59-L63 WeakPolarHBondContact O-CB 3.3Å; S59-L63 PolarHBondContact O-N 3.32Å; L63-P66 WeakPolarHBondContact O-CD 3.16Å; L63-P66 WeakPolarHBondContact O-CG 3.16Å; L63-I67 HydrophobicContact CD1-CD1 3.78Å; L63-I67 HydrophobicContact CG-CD1 3.86Å; L63-I67 WeakPolarHBondContact O-CB 3.28Å; L63-I67 WeakPolarHBondContact O-CD1 3.24Å; L63-I67 WeakPolarHBondContact O-CG1 2.97Å; L63-I67 PolarHBondContact O-N 2.92Å; L63-I67 VanDerWaalsContact O-N 3.16Å; L63-F122 HydrophobicContact CD1-CE1 4.3Å |
| 64 | L | 92.4 | Very high | 87.1 | Confident | 76 Ų | 76 | 48.2 Ų | 48.2 | 40% | 0.398 | 26% | 0.263 | S | S | . | . | I | π-helix | trans | -73.4 | -46.3 | -173.8 | -172.2 | 59.4 | 0 | 0 | 0 | 113.3 | S59 T60 I67 I68 M308 | S59-L64 PolarHBondContact O-N 3.05Å; T60-L64 HydrophobicContact CG2-CD2 4.45Å; T60-L64 WeakPolarHBondContact O-CB 3.29Å; T60-L64 PolarHBondContact O-N 2.93Å; L64-I67 PolarHBondContact O-N 2.94Å; L64-I68 HydrophobicContact CD1-CD1 4.45Å; L64-I68 HydrophobicContact CG-CD1 4.18Å; L64-I68 WeakPolarHBondContact O-CG1 3.3Å; L64-I68 PolarHBondContact O-N 2.97Å; L64-M308 HydrophobicContact CD2-CE 3.54Å; L64-M308 HydrophobicContact CD2-SD 3.99Å; L64-M308 HydrophobicContact CG-CE 3.96Å; L64-M308 HydrophobicContact CG-SD 4.2Å |
| 65 | L | 92 | Very high | 88.5 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -56.1 | -51.2 | 173.9 | -63.5 | 176.6 | 0 | 0 | 0 | 113.3 | T60 T61 I67 I68 Y69 M307 M308 A311 | T60-L65 PolarHBondContact O-N 3.32Å; T61-L65 HydrophobicContact CG2-CD1 4.2Å; T61-L65 WeakPolarHBondContact O-CB 3.39Å; L65-I67 VanDerWaalsContact C-N 3.3Å; L65-I67 PolarHBondContact O-N 3.38Å; L65-I68 PolarHBondContact O-N 3.24Å; L65-I68 VanDerWaalsContact O-N 3.12Å; L65-Y69 HydrophobicContact CB-CD2 4.49Å; L65-Y69 HydrophobicContact CB-CE2 4.22Å; L65-Y69 WeakPolarHBondContact O-CD2 3.35Å; L65-Y69 PolarHBondContact O-N 3.33Å; L65-M307 HydrophobicContact CD1-CB 3.81Å; L65-M307 HydrophobicContact CD1-CG 4.48Å; L65-M307 HydrophobicContact CD2-CB 4.14Å; L65-M307 WeakPolarHBondContact CD2-O 3.32Å; L65-M308 HydrophobicContact CD2-CG 4.22Å; L65-M308 HydrophobicContact CD2-SD 3.56Å; L65-M308 VanDerWaalsContact CD2-SD 3.56Å; L65-M308 HydrophobicContact CG-SD 4.29Å; L65-A311 HydrophobicContact CD2-CB 3.78Å |
| 66 | P | 94.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.4 | -29.3 | -179.7 | 22.6 | -29.9 | 0 | 0 | 0 | 112.5 | T61 N62 L63 Y69 L70 I118 H121 F122 | T61-P66 WeakPolarHBondContact O-CD 3.34Å; N62-P66 WeakPolarHBondContact O-CG 3.49Å; L63-P66 WeakPolarHBondContact O-CD 3.16Å; L63-P66 WeakPolarHBondContact O-CG 3.16Å; P66-Y69 PolarHBondContact O-N 2.96Å; P66-L70 WeakPolarHBondContact O-CB 3.2Å; P66-L70 PolarHBondContact O-N 3.38Å; P66-I118 HydrophobicContact CB-CG2 4.29Å; P66-H121 HydrophobicContact CB-CB 3.89Å; P66-H121 HydrophobicContact CG-CB 3.75Å; P66-F122 HydrophobicContact CB-CD1 3.98Å; P66-F122 HydrophobicContact CB-CD2 3.89Å; P66-F122 HydrophobicContact CB-CE1 3.84Å; P66-F122 HydrophobicContact CB-CE2 3.77Å; P66-F122 HydrophobicContact CB-CG 3.99Å; P66-F122 HydrophobicContact CB-CZ 3.74Å; P66-F122 HydrophobicContact CG-CD1 3.64Å; P66-F122 HydrophobicContact CG-CD2 4.46Å; P66-F122 HydrophobicContact CG-CE1 3.59Å; P66-F122 HydrophobicContact CG-CE2 4.43Å; P66-F122 HydrophobicContact CG-CG 4.09Å; P66-F122 HydrophobicContact CG-CZ 4.01Å |
| 67 | I | 95.7 | Very high | 90.9 | Very high | 79 Ų | 79 | 44 Ų | 44 | 41% | 0.405 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -63.9 | -41.9 | 170 | -73.3 | 169.2 | 0 | 0 | 0 | 111.3 | L63 L64 L65 L70 S71 | L63-I67 HydrophobicContact CD1-CD1 3.78Å; L63-I67 HydrophobicContact CG-CD1 3.86Å; L63-I67 WeakPolarHBondContact O-CB 3.28Å; L63-I67 WeakPolarHBondContact O-CD1 3.24Å; L63-I67 WeakPolarHBondContact O-CG1 2.97Å; L63-I67 PolarHBondContact O-N 2.92Å; L63-I67 VanDerWaalsContact O-N 3.16Å; L64-I67 PolarHBondContact O-N 2.94Å; L65-I67 VanDerWaalsContact C-N 3.3Å; L65-I67 PolarHBondContact O-N 3.38Å; I67-L70 PolarHBondContact O-N 2.9Å; I67-S71 WeakPolarHBondContact O-CB 3.3Å; I67-S71 PolarHBondContact O-N 3.39Å; I67-S71 PolarHBondContact O-OG 2.94Å |
| 68 | I | 95.1 | Very high | 91.9 | Very high | 28 Ų | 28 | 42.5 Ų | 42.5 | 14% | 0.144 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.7 | -46.8 | 176.4 | -65.8 | 165.5 | 0 | 0 | 0 | 110.4 | L64 L65 L70 S71 T72 M308 A311 | L64-I68 HydrophobicContact CD1-CD1 4.45Å; L64-I68 HydrophobicContact CG-CD1 4.18Å; L64-I68 WeakPolarHBondContact O-CG1 3.3Å; L64-I68 PolarHBondContact O-N 2.97Å; L65-I68 PolarHBondContact O-N 3.24Å; L65-I68 VanDerWaalsContact O-N 3.12Å; I68-L70 VanDerWaalsContact C-N 3.35Å; I68-L70 PolarHBondContact O-N 3.5Å; I68-S71 PolarHBondContact O-N 3.28Å; I68-S71 PolarHBondContact O-OG 3.18Å; I68-T72 WeakPolarHBondContact O-CB 3.29Å; I68-T72 PolarHBondContact O-N 3.5Å; I68-T72 PolarHBondContact O-OG1 2.99Å; I68-M308 HydrophobicContact CD1-CE 3.61Å; I68-M308 HydrophobicContact CD1-SD 4.26Å; I68-A311 HydrophobicContact CB-CB 4.11Å; I68-A311 HydrophobicContact CD1-CB 4.43Å; I68-A311 HydrophobicContact CG2-CB 3.73Å |
| 69 | Y | 96.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.8 | -37.9 | 175.8 | -67.5 | -56.5 | 0 | 0 | 0 | 112.5 | L65 P66 T72 F73 L114 I118 H121 A311 T314 | L65-Y69 HydrophobicContact CB-CD2 4.49Å; L65-Y69 HydrophobicContact CB-CE2 4.22Å; L65-Y69 WeakPolarHBondContact O-CD2 3.35Å; L65-Y69 PolarHBondContact O-N 3.33Å; P66-Y69 PolarHBondContact O-N 2.96Å; Y69-T72 WeakPolarHBondContact O-CB 3.42Å; Y69-T72 PolarHBondContact O-N 2.68Å; Y69-F73 WeakPolarHBondContact O-CB 3.42Å; Y69-F73 PolarHBondContact O-N 3.01Å; Y69-L114 HydrophobicContact CD1-CD2 3.66Å; Y69-L114 HydrophobicContact CE1-CD2 4.22Å; Y69-L114 HydrophobicContact CG-CD2 4.41Å; Y69-I118 VanDerWaalsContact CB-CG1 3.49Å; Y69-H121 AromaticContact CE2-CD2 3.9Å; Y69-H121 AromaticContact CE2-NE2 3.98Å; Y69-A311 HydrophobicContact CD1-CB 4.42Å; Y69-A311 HydrophobicContact CE1-CB 3.91Å; Y69-A311 HydrophobicContact CE2-CB 4.09Å; Y69-T314 HydrophobicContact CD1-CG2 4.36Å; Y69-T314 HydrophobicContact CE1-CG2 3.9Å |
| 70 | L | 97 | Very high | 93.5 | Very high | 70 Ų | 70 | 38.4 Ų | 38.4 | 37% | 0.366 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -67 | -44.1 | 177.4 | -179 | 63.1 | 0 | 0 | 0 | 111.7 | P66 I67 I68 T72 F73 C74 I118 | P66-L70 WeakPolarHBondContact O-CB 3.2Å; P66-L70 PolarHBondContact O-N 3.38Å; I67-L70 PolarHBondContact O-N 2.9Å; I68-L70 VanDerWaalsContact C-N 3.35Å; I68-L70 PolarHBondContact O-N 3.5Å; L70-T72 VanDerWaalsContact C-N 3.31Å; L70-T72 PolarHBondContact O-N 2.96Å; L70-F73 PolarHBondContact O-N 3.47Å; L70-C74 WeakPolarHBondContact O-CB 3.47Å; L70-C74 PolarHBondContact O-N 2.84Å; L70-C74 PolarHBondContact O-SG 3.48Å; L70-I118 HydrophobicContact CB-CD1 4.13Å; L70-I118 HydrophobicContact CD1-CD1 4.31Å |
| 71 | S | 96.5 | Very high | 94.2 | Very high | 47 Ų | 47 | 40 Ų | 40 | 33% | 0.329 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.3 | -39.2 | 174 | 68 | 0 | 0 | 0 | 0 | 111.8 | I67 I68 V75 | I67-S71 WeakPolarHBondContact O-CB 3.3Å; I67-S71 PolarHBondContact O-N 3.39Å; I67-S71 PolarHBondContact O-OG 2.94Å; I68-S71 PolarHBondContact O-N 3.28Å; I68-S71 PolarHBondContact O-OG 3.18Å; S71-V75 WeakPolarHBondContact O-CB 3.31Å; S71-V75 WeakPolarHBondContact O-CG2 3.22Å; S71-V75 PolarHBondContact O-N 3.24Å |
| 72 | T | 96.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.1 | -45.1 | 172.9 | -57.5 | 0 | 0 | 0 | 0 | 111.5 | I68 Y69 L70 G76 F111 L114 T314 F315 | I68-T72 WeakPolarHBondContact O-CB 3.29Å; I68-T72 PolarHBondContact O-N 3.5Å; I68-T72 PolarHBondContact O-OG1 2.99Å; Y69-T72 WeakPolarHBondContact O-CB 3.42Å; Y69-T72 PolarHBondContact O-N 2.68Å; L70-T72 VanDerWaalsContact C-N 3.31Å; L70-T72 PolarHBondContact O-N 2.96Å; T72-G76 VanDerWaalsContact O-CA 3.23Å; T72-G76 WeakPolarHBondContact O-CA 3.31Å; T72-G76 PolarHBondContact O-N 3.06Å; T72-F111 HydrophobicContact CG2-CD1 4.44Å; T72-F111 HydrophobicContact CG2-CE1 3.92Å; T72-L114 HydrophobicContact CG2-CD1 3.62Å; T72-T314 WeakPolarHBondContact CG2-O 3.1Å; T72-F315 WeakPolarHBondContact OG1-CD2 3.37Å |
| 73 | F | 97.6 | Very high | 94.9 | Very high | 56 Ų | 56 | 41.7 Ų | 41.7 | 25% | 0.246 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.6 | -51.7 | 177.1 | 176.6 | -97.5 | 0 | 0 | 0 | 112 | Y69 L70 V75 L77 F111 L114 P115 I118 | Y69-F73 WeakPolarHBondContact O-CB 3.42Å; Y69-F73 PolarHBondContact O-N 3.01Å; L70-F73 PolarHBondContact O-N 3.47Å; F73-V75 PolarHBondContact O-N 3.35Å; F73-L77 HydrophobicContact CD2-CD2 4.49Å; F73-L77 HydrophobicContact CE2-CD2 3.7Å; F73-L77 HydrophobicContact CZ-CD2 3.71Å; F73-L77 VanDerWaalsContact O-CB 3.31Å; F73-L77 WeakPolarHBondContact O-CB 3.46Å; F73-L77 PolarHBondContact O-N 3.5Å; F73-F111 HydrophobicContact CD2-CB 4.24Å; F73-F111 VanDerWaalsContact CD2-O 3.24Å; F73-F111 WeakPolarHBondContact CD2-O 3.47Å; F73-F111 VanDerWaalsContact CE2-O 3.26Å; F73-F111 WeakPolarHBondContact CE2-O 3.4Å; F73-L114 HydrophobicContact CB-CD1 4.33Å; F73-P115 HydrophobicContact CD2-CG 4Å; F73-P115 HydrophobicContact CE2-CG 3.67Å; F73-P115 HydrophobicContact CZ-CG 4.17Å; F73-I118 HydrophobicContact CB-CD1 4.31Å |
| 74 | C | 96.8 | Very high | 95.1 | Very high | 74 Ų | 74 | 38.4 Ų | 38.4 | 50% | 0.5 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65.2 | -34.2 | -176 | -69.4 | 0 | 0 | 0 | 0 | 113.5 | L70 P78 | L70-C74 WeakPolarHBondContact O-CB 3.47Å; L70-C74 PolarHBondContact O-N 2.84Å; L70-C74 PolarHBondContact O-SG 3.48Å; C74-P78 WeakPolarHBondContact O-CD 3.5Å; C74-P78 WeakPolarHBondContact O-CG 3.31Å |
| 75 | V | 95.6 | Very high | 95.2 | Very high | 53 Ų | 53 | 42.1 Ų | 42.1 | 32% | 0.321 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -86.4 | -45.1 | 175.6 | 177.2 | 0 | 0 | 0 | 0 | 111.2 | S71 F73 T79 C318 | S71-V75 WeakPolarHBondContact O-CB 3.31Å; S71-V75 WeakPolarHBondContact O-CG2 3.22Å; S71-V75 PolarHBondContact O-N 3.24Å; F73-V75 PolarHBondContact O-N 3.35Å; V75-T79 WeakPolarHBondContact O-CB 3.38Å; V75-T79 VanDerWaalsContact O-CG2 3.26Å; V75-T79 WeakPolarHBondContact O-CG2 3.28Å; V75-T79 PolarHBondContact O-N 3.42Å; V75-T79 PolarHBondContact O-OG1 2.9Å; V75-C318 HydrophobicContact CG1-CB 4.2Å |
| 76 | G | 95.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -70.9 | -44.2 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | T72 T79 N80 F111 | T72-G76 VanDerWaalsContact O-CA 3.23Å; T72-G76 WeakPolarHBondContact O-CA 3.31Å; T72-G76 PolarHBondContact O-N 3.06Å; G76-T79 PolarHBondContact O-OG1 3.29Å; G76-N80 VanDerWaalsContact O-CB 3.28Å; G76-N80 WeakPolarHBondContact O-CB 3.46Å; G76-N80 PolarHBondContact O-N 3.39Å; G76-N80 PolarHBondContact O-ND2 2.64Å; G76-F111 VanDerWaalsContact CA-CZ 3.46Å; G76-F111 VanDerWaalsContact O-CE2 3.26Å; G76-F111 WeakPolarHBondContact O-CE2 3.39Å |
| 77 | L | 95.9 | Very high | 95 | Very high | 36 Ų | 36 | 42.2 Ų | 42.2 | 19% | 0.188 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65 | -51.8 | -176.1 | -178.1 | 66.8 | 0 | 0 | 0 | 112.5 | F73 T79 N80 L81 F111 | F73-L77 HydrophobicContact CD2-CD2 4.49Å; F73-L77 HydrophobicContact CE2-CD2 3.7Å; F73-L77 HydrophobicContact CZ-CD2 3.71Å; F73-L77 VanDerWaalsContact O-CB 3.31Å; F73-L77 WeakPolarHBondContact O-CB 3.46Å; F73-L77 PolarHBondContact O-N 3.5Å; L77-T79 PolarHBondContact O-N 3.46Å; L77-N80 PolarHBondContact O-N 3.3Å; L77-L81 HydrophobicContact CD1-CD1 3.74Å; L77-L81 HydrophobicContact CD1-CD2 4.47Å; L77-L81 HydrophobicContact CD1-CG 3.9Å; L77-L81 HydrophobicContact CG-CD1 3.85Å; L77-L81 HydrophobicContact CG-CG 4.36Å; L77-L81 WeakPolarHBondContact O-CB 3.37Å; L77-L81 VanDerWaalsContact O-CG 3.26Å; L77-L81 WeakPolarHBondContact O-CG 3.37Å; L77-L81 PolarHBondContact O-N 3.46Å; L77-F111 HydrophobicContact CB-CB 3.99Å; L77-F111 HydrophobicContact CB-CD2 4.19Å; L77-F111 HydrophobicContact CB-CG 4.17Å; L77-F111 HydrophobicContact CD1-CB 3.91Å; L77-F111 HydrophobicContact CD1-CD2 4.29Å; L77-F111 HydrophobicContact CG-CB 4.46Å |
| 78 | P | 95.2 | Very high | 94.7 | Very high | 76 Ų | 76 | 41.6 Ų | 41.6 | 49% | 0.494 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.4 | -40.9 | -179.3 | -21.7 | 35.1 | 0 | 0 | 0 | 112.5 | C74 L82 | C74-P78 WeakPolarHBondContact O-CD 3.5Å; C74-P78 WeakPolarHBondContact O-CG 3.31Å; P78-L82 WeakPolarHBondContact O-CB 3.25Å; P78-L82 PolarHBondContact O-N 2.91Å |
| 79 | T | 93.7 | Very high | 94.5 | Very high | 32 Ų | 32 | 46.8 Ų | 46.8 | 20% | 0.196 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68.7 | -39.7 | -178.6 | 56.2 | 0 | 0 | 0 | 0 | 112.4 | V75 G76 L77 A83 | V75-T79 WeakPolarHBondContact O-CB 3.38Å; V75-T79 VanDerWaalsContact O-CG2 3.26Å; V75-T79 WeakPolarHBondContact O-CG2 3.28Å; V75-T79 PolarHBondContact O-N 3.42Å; V75-T79 PolarHBondContact O-OG1 2.9Å; G76-T79 PolarHBondContact O-OG1 3.29Å; L77-T79 PolarHBondContact O-N 3.46Å; T79-A83 VanDerWaalsContact O-CB 3.31Å; T79-A83 WeakPolarHBondContact O-CB 3.45Å; T79-A83 PolarHBondContact O-N 3.02Å |
| 80 | N | 95.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -76.3 | -34.5 | 177.4 | -78.4 | -80.1 | 0 | 0 | 0 | 113 | G76 L77 A83 L84 F111 S317 P321 | G76-N80 VanDerWaalsContact O-CB 3.28Å; G76-N80 WeakPolarHBondContact O-CB 3.46Å; G76-N80 PolarHBondContact O-N 3.39Å; G76-N80 PolarHBondContact O-ND2 2.64Å; L77-N80 PolarHBondContact O-N 3.3Å; N80-A83 PolarHBondContact O-N 3.28Å; N80-L84 WeakPolarHBondContact O-CB 3.34Å; N80-L84 PolarHBondContact O-N 3.45Å; N80-F111 HydrophobicContact CB-CE2 3.87Å; N80-F111 WeakPolarHBondContact ND2-CE2 3.47Å; N80-S317 PolarHBondContact ND2-O 3.07Å; N80-P321 HydrophobicContact CB-CG 4.5Å; N80-P321 WeakPolarHBondContact OD1-CG 3.29Å |
| 81 | L | 95.5 | Very high | 93.3 | Very high | 88 Ų | 88 | 49.3 Ų | 49.3 | 46% | 0.461 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -63.2 | -44.4 | 171.6 | -73.5 | 176.3 | 0 | 0 | 0 | 111.7 | L77 L84 W85 | L77-L81 HydrophobicContact CD1-CD1 3.74Å; L77-L81 HydrophobicContact CD1-CD2 4.47Å; L77-L81 HydrophobicContact CD1-CG 3.9Å; L77-L81 HydrophobicContact CG-CD1 3.85Å; L77-L81 HydrophobicContact CG-CG 4.36Å; L77-L81 WeakPolarHBondContact O-CB 3.37Å; L77-L81 VanDerWaalsContact O-CG 3.26Å; L77-L81 WeakPolarHBondContact O-CG 3.37Å; L77-L81 PolarHBondContact O-N 3.46Å; L81-L84 PolarHBondContact O-N 3.47Å; L81-W85 PolarHBondContact O-N 3.19Å |
| 82 | L | 92.9 | Very high | 92.7 | Very high | 65 Ų | 65 | 54 Ų | 54 | 34% | 0.34 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.4 | -44 | 174.5 | 179.3 | 60.8 | 0 | 0 | 0 | 111.5 | P78 W85 I86 | P78-L82 WeakPolarHBondContact O-CB 3.25Å; P78-L82 PolarHBondContact O-N 2.91Å; L82-W85 PolarHBondContact O-N 3.38Å; L82-I86 HydrophobicContact CD1-CD1 3.89Å; L82-I86 HydrophobicContact CD1-CG1 4.33Å; L82-I86 HydrophobicContact CG-CD1 3.92Å; L82-I86 VanDerWaalsContact O-CG1 3.29Å; L82-I86 WeakPolarHBondContact O-CG1 3.24Å; L82-I86 PolarHBondContact O-N 3.43Å |
| 83 | A | 92.9 | Very high | 92.1 | Very high | 2 Ų | 2 | 62 Ų | 62 | 2% | 0.017 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.7 | -45.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | T79 N80 I86 L87 T104 P321 F331 | T79-A83 VanDerWaalsContact O-CB 3.31Å; T79-A83 WeakPolarHBondContact O-CB 3.45Å; T79-A83 PolarHBondContact O-N 3.02Å; N80-A83 PolarHBondContact O-N 3.28Å; A83-I86 PolarHBondContact O-N 3.47Å; A83-L87 WeakPolarHBondContact O-CB 3.48Å; A83-L87 WeakPolarHBondContact O-CG 3.3Å; A83-L87 PolarHBondContact O-N 3.27Å; A83-T104 HydrophobicContact CB-CG2 4.17Å; A83-P321 HydrophobicContact CB-CB 4.1Å; A83-P321 HydrophobicContact CB-CG 4.14Å; A83-F331 HydrophobicContact CB-CE2 4.17Å; A83-F331 HydrophobicContact CB-CZ 3.83Å |
| 84 | L | 94.8 | Very high | 91.6 | Very high | 23 Ų | 23 | 65.8 Ų | 65.8 | 12% | 0.12 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.7 | -46 | 177.7 | 178.7 | 59.2 | 0 | 0 | 0 | 111.2 | N80 L81 I86 L87 M88 I101 V105 | N80-L84 WeakPolarHBondContact O-CB 3.34Å; N80-L84 PolarHBondContact O-N 3.45Å; L81-L84 PolarHBondContact O-N 3.47Å; L84-I86 PolarHBondContact O-N 2.99Å; L84-L87 PolarHBondContact O-N 3.1Å; L84-M88 HydrophobicContact CD1-CE 4.15Å; L84-M88 HydrophobicContact CD1-CG 3.91Å; L84-M88 HydrophobicContact CD1-SD 3.82Å; L84-M88 HydrophobicContact CG-CE 3.9Å; L84-M88 HydrophobicContact CG-SD 4.25Å; L84-M88 WeakPolarHBondContact O-CB 3.42Å; L84-M88 VanDerWaalsContact O-CG 3.3Å; L84-M88 WeakPolarHBondContact O-CG 3.16Å; L84-M88 PolarHBondContact O-N 3.04Å; L84-I101 HydrophobicContact CD1-CG2 3.98Å; L84-V105 HydrophobicContact CD1-CG2 3.82Å; L84-V105 HydrophobicContact CD2-CG2 4.25Å |
| 85 | W | 94.2 | Very high | 91 | Very high | 154 Ų | 154 | 63.4 Ų | 63.4 | 58% | 0.583 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -55.5 | -52.1 | 172.8 | -178.7 | -58.4 | 0 | 0 | 0 | 111.4 | L81 L82 L87 M88 F89 | L81-W85 PolarHBondContact O-N 3.19Å; L82-W85 PolarHBondContact O-N 3.38Å; W85-L87 VanDerWaalsContact C-N 3.33Å; W85-L87 PolarHBondContact O-N 2.87Å; W85-M88 PolarHBondContact O-N 3.26Å; W85-F89 HydrophobicContact CD2-CD2 4.34Å; W85-F89 HydrophobicContact CG-CD2 4.05Å; W85-F89 WeakPolarHBondContact O-CB 3.22Å; W85-F89 WeakPolarHBondContact O-CD2 3.33Å; W85-F89 PolarHBondContact O-N 3.4Å |
| 86 | I | 90.8 | Very high | 90.6 | Very high | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | I | π-helix | trans | -62.4 | -41.1 | -177.8 | -69.2 | 167.6 | 0 | 0 | 0 | 110.8 | L82 A83 L84 R90 T91 F331 R334 T335 | L82-I86 HydrophobicContact CD1-CD1 3.89Å; L82-I86 HydrophobicContact CD1-CG1 4.33Å; L82-I86 HydrophobicContact CG-CD1 3.92Å; L82-I86 VanDerWaalsContact O-CG1 3.29Å; L82-I86 WeakPolarHBondContact O-CG1 3.24Å; L82-I86 PolarHBondContact O-N 3.43Å; A83-I86 PolarHBondContact O-N 3.47Å; L84-I86 PolarHBondContact O-N 2.99Å; I86-R90 HydrophobicContact CG2-CB 4.36Å; I86-R90 CarbonylContact O-C 3.6Å; I86-R90 WeakPolarHBondContact O-CA 3.34Å; I86-R90 PolarHBondContact O-N 3.26Å; I86-T91 WeakPolarHBondContact O-CB 3.46Å; I86-T91 PolarHBondContact O-N 3.21Å; I86-T91 PolarHBondContact O-OG1 3.42Å; I86-F331 HydrophobicContact CB-CD2 4.35Å; I86-F331 HydrophobicContact CB-CE2 3.9Å; I86-F331 HydrophobicContact CG2-CD2 3.58Å; I86-F331 HydrophobicContact CG2-CE2 3.63Å; I86-F331 HydrophobicContact CG2-CG 4.41Å; I86-R334 HydrophobicContact CG2-CB 3.9Å; I86-T335 HydrophobicContact CD1-CG2 4.26Å |
| 87 | L | 90.8 | Very high | 90.3 | Very high | 2 Ų | 2 | 62.1 Ų | 62.1 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | I | π-helix | trans | -68.7 | -38.8 | 178.9 | -70.5 | 168.5 | 0 | 0 | 0 | 112.8 | A83 L84 W85 T91 T97 L100 I101 T104 F324 F331 | A83-L87 WeakPolarHBondContact O-CB 3.48Å; A83-L87 WeakPolarHBondContact O-CG 3.3Å; A83-L87 PolarHBondContact O-N 3.27Å; L84-L87 PolarHBondContact O-N 3.1Å; W85-L87 VanDerWaalsContact C-N 3.33Å; W85-L87 PolarHBondContact O-N 2.87Å; L87-T91 HydrophobicContact CD2-CG2 4.49Å; L87-T97 HydrophobicContact CB-CG2 4.44Å; L87-T97 HydrophobicContact CD2-CG2 3.96Å; L87-L100 HydrophobicContact CD1-CB 3.88Å; L87-L100 HydrophobicContact CD2-CB 4.12Å; L87-L100 HydrophobicContact CD2-CD1 4.1Å; L87-I101 HydrophobicContact CB-CD1 4.22Å; L87-I101 HydrophobicContact CB-CG1 3.59Å; L87-I101 HydrophobicContact CD1-CG1 4.34Å; L87-T104 HydrophobicContact CD1-CG2 3.98Å; L87-F324 HydrophobicContact CD1-CD2 4.4Å; L87-F324 HydrophobicContact CD1-CE2 4.41Å; L87-F331 HydrophobicContact CD2-CD2 3.89Å; L87-F331 HydrophobicContact CD2-CE2 4.22Å; L87-F331 HydrophobicContact CG-CD2 4.14Å; L87-F331 HydrophobicContact CG-CE2 3.97Å |
| 88 | M | 90.5 | Very high | 90.2 | Very high | 66 Ų | 66 | 62.4 Ų | 62.4 | 33% | 0.325 | 29% | 0.287 | S | S | . | . | I | π-helix | trans | -76.8 | -40.9 | -178.9 | -70.5 | -165.6 | -52.9 | 0 | 0 | 113.8 | L84 W85 I101 | L84-M88 HydrophobicContact CD1-CE 4.15Å; L84-M88 HydrophobicContact CD1-CG 3.91Å; L84-M88 HydrophobicContact CD1-SD 3.82Å; L84-M88 HydrophobicContact CG-CE 3.9Å; L84-M88 HydrophobicContact CG-SD 4.25Å; L84-M88 WeakPolarHBondContact O-CB 3.42Å; L84-M88 VanDerWaalsContact O-CG 3.3Å; L84-M88 WeakPolarHBondContact O-CG 3.16Å; L84-M88 PolarHBondContact O-N 3.04Å; W85-M88 PolarHBondContact O-N 3.26Å; M88-I101 HydrophobicContact CG-CD1 4.2Å; M88-I101 HydrophobicContact CG-CG1 4.43Å |
| 89 | F | 89.4 | Confident | 90.1 | Very high | 138 Ų | 138 | 59 Ų | 59 | 61% | 0.605 | 26% | 0.264 | S | S | * | . | I | π-helix | trans | -113.4 | -27.8 | -167.5 | -58 | -64.1 | 0 | 0 | 0 | 115.1 | W85 | W85-F89 HydrophobicContact CD2-CD2 4.34Å; W85-F89 HydrophobicContact CG-CD2 4.05Å; W85-F89 WeakPolarHBondContact O-CB 3.22Å; W85-F89 WeakPolarHBondContact O-CD2 3.33Å; W85-F89 PolarHBondContact O-N 3.4Å |
| 90 | R | 85.3 | Confident | 90 | Very high | 108 Ų | 108 | 58 Ų | 58 | 41% | 0.408 | 26% | 0.257 | S | S | . | . | I | π-helix | trans | -111.1 | -16.1 | -173.8 | -61.8 | -63.7 | -171.7 | 98 | -4 | 114.2 | I86 R334 | I86-R90 HydrophobicContact CG2-CB 4.36Å; I86-R90 CarbonylContact O-C 3.6Å; I86-R90 WeakPolarHBondContact O-CA 3.34Å; I86-R90 PolarHBondContact O-N 3.26Å; R90-R334 HydrophobicContact CB-CB 4.21Å; R90-R334 HydrophobicContact CB-CG 4.28Å; R90-R334 WeakPolarHBondContact O-CD 3.34Å; R90-R334 WeakPolarHBondContact O-CG 3.49Å; R90-R334 PolarHBondContact O-NE 3.38Å |
| 91 | T | 84.1 | Confident | 89.9 | Confident | 15 Ų | 15 | 59.8 Ų | 59.8 | 9% | 0.092 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -98.9 | 142.1 | -176.9 | -54.7 | 0 | 0 | 0 | 0 | 111.7 | I86 L87 R93 T97 | I86-T91 WeakPolarHBondContact O-CB 3.46Å; I86-T91 PolarHBondContact O-N 3.21Å; I86-T91 PolarHBondContact O-OG1 3.42Å; L87-T91 HydrophobicContact CD2-CG2 4.49Å; T91-R93 PolarHBondContact O-N 3.33Å; T91-T97 HydrophobicContact CG2-CG2 3.86Å |
| 92 | K | 84 | Confident | 90 | Very high | 145 Ų | 145 | 56 Ų | 56 | 63% | 0.63 | 25% | 0.247 | S | C | * | . | trans | -65.3 | 127 | 177.3 | -172.1 | 166.7 | -174.5 | 167.4 | 0 | 110.2 | R94 T97 | K92-R94 PolarHBondContact O-N 3.26Å; K92-T97 PolarHBondContact O-OG1 3.2Å; K92-T97 VanDerWaalsContact O-OG1 3.12Å | ||
| 93 | R | 83.7 | Confident | 90.1 | Very high | 168 Ų | 168 | 52.9 Ų | 52.9 | 63% | 0.634 | 23% | 0.231 | S | C | * | . | trans | -64.1 | 95.8 | 179.8 | -67.4 | -170 | -179 | 156.4 | 3.9 | 111.9 | T91 R175 | T91-R93 PolarHBondContact O-N 3.33Å; R93-R175 PolarHBondContact O-NE 3.05Å; R93-R175 PolarHBondContact O-NH2 3.15Å | ||
| 94 | R | 85.3 | Confident | 90.2 | Very high | 135 Ų | 135 | 52.8 Ų | 52.8 | 51% | 0.509 | 23% | 0.23 | S | C | . | . | trans | -110.6 | 159.3 | 173.2 | -67.5 | 179.3 | 179.5 | 163.2 | 2.5 | 109.3 | K92 S96 T97 T98 | K92-R94 PolarHBondContact O-N 3.26Å; R94-S96 VanDerWaalsContact C-N 3.3Å; R94-S96 PolarHBondContact O-N 3.18Å; R94-T97 PolarHBondContact N-OG1 2.9Å; R94-T97 VanDerWaalsContact N-OG1 3.17Å; R94-T97 VanDerWaalsContact O-CB 3.28Å; R94-T97 WeakPolarHBondContact O-CB 3.39Å; R94-T97 PolarHBondContact O-N 3.01Å; R94-T97 PolarHBondContact O-OG1 3.09Å; R94-T98 PolarHBondContact O-N 2.77Å | ||
| 95 | P | 85.7 | Confident | 90.3 | Very high | 24 Ų | 24 | 53.8 Ų | 53.8 | 16% | 0.156 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -48.7 | -49.5 | 174.9 | -19.5 | 23.7 | 0 | 0 | 0 | 112.6 | T97 T98 R173 R175 S178 | P95-T97 VanDerWaalsContact C-N 3.29Å; P95-T97 PolarHBondContact O-N 3.23Å; P95-T98 WeakPolarHBondContact O-CB 3.37Å; P95-T98 PolarHBondContact O-N 3.34Å; P95-T98 VanDerWaalsContact O-N 3.09Å; P95-R173 WeakPolarHBondContact CG-O 3.4Å; P95-R175 HydrophobicContact CG-CG 4.28Å; P95-S178 WeakPolarHBondContact CA-OG 3.25Å; P95-S178 WeakPolarHBondContact CB-OG 3.48Å; P95-S178 VanDerWaalsContact O-CB 3.31Å; P95-S178 WeakPolarHBondContact O-CB 3.36Å; P95-S178 PolarHBondContact O-OG 2.96Å |
| 96 | S | 86.9 | Confident | 90.5 | Very high | 17 Ų | 17 | 46.8 Ų | 46.8 | 12% | 0.119 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -54.7 | -41.4 | 174.4 | -40.4 | 0 | 0 | 0 | 0 | 112.9 | R94 T98 L99 L100 D158 R173 | R94-S96 VanDerWaalsContact C-N 3.3Å; R94-S96 PolarHBondContact O-N 3.18Å; S96-T98 PolarHBondContact O-N 3.03Å; S96-L99 PolarHBondContact O-N 3.27Å; S96-L100 WeakPolarHBondContact O-CG 3.15Å; S96-L100 PolarHBondContact O-N 2.88Å; S96-D158 VanDerWaalsContact CB-OD2 3.3Å; S96-D158 WeakPolarHBondContact CB-OD2 3.29Å; S96-D158 PolarHBondContact OG-OD2 2.92Å; S96-R173 PolarHBondContact OG-NH2 2.9Å |
| 97 | T | 89.4 | Confident | 90.8 | Very high | 9 Ų | 9 | 46.7 Ų | 46.7 | 6% | 0.055 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.4 | -35.2 | -179.2 | -39.1 | 0 | 0 | 0 | 0 | 111.3 | L87 T91 K92 R94 P95 L100 I101 | L87-T97 HydrophobicContact CB-CG2 4.44Å; L87-T97 HydrophobicContact CD2-CG2 3.96Å; T91-T97 HydrophobicContact CG2-CG2 3.86Å; K92-T97 PolarHBondContact O-OG1 3.2Å; K92-T97 VanDerWaalsContact O-OG1 3.12Å; R94-T97 PolarHBondContact N-OG1 2.9Å; R94-T97 VanDerWaalsContact N-OG1 3.17Å; R94-T97 VanDerWaalsContact O-CB 3.28Å; R94-T97 WeakPolarHBondContact O-CB 3.39Å; R94-T97 PolarHBondContact O-N 3.01Å; R94-T97 PolarHBondContact O-OG1 3.09Å; P95-T97 VanDerWaalsContact C-N 3.29Å; P95-T97 PolarHBondContact O-N 3.23Å; T97-L100 PolarHBondContact O-N 3Å; T97-I101 HydrophobicContact CG2-CD1 4.17Å; T97-I101 VanDerWaalsContact O-CG1 3.24Å; T97-I101 WeakPolarHBondContact O-CG1 3.37Å; T97-I101 PolarHBondContact O-N 2.96Å |
| 98 | T | 92.4 | Very high | 91.1 | Very high | 42 Ų | 42 | 47.3 Ų | 47.3 | 26% | 0.258 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.9 | -40.5 | 174.9 | -59.6 | 0 | 0 | 0 | 0 | 112.1 | R94 P95 S96 I101 N102 R179 | R94-T98 PolarHBondContact O-N 2.77Å; P95-T98 WeakPolarHBondContact O-CB 3.37Å; P95-T98 PolarHBondContact O-N 3.34Å; P95-T98 VanDerWaalsContact O-N 3.09Å; S96-T98 PolarHBondContact O-N 3.03Å; T98-I101 PolarHBondContact O-N 3.33Å; T98-N102 WeakPolarHBondContact O-CB 3.2Å; T98-N102 PolarHBondContact O-N 3.09Å; T98-R179 HydrophobicContact CG2-CG 4.33Å |
| 99 | L | 93.3 | Very high | 91.4 | Very high | 4 Ų | 4 | 47.1 Ų | 47.1 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -69.2 | -36.3 | 176.5 | -58.8 | 177.2 | 0 | 0 | 0 | 112.1 | S96 N102 L103 F154 V155 D158 L181 | S96-L99 PolarHBondContact O-N 3.27Å; L99-N102 WeakPolarHBondContact O-CB 3.44Å; L99-N102 PolarHBondContact O-N 3.39Å; L99-L103 PolarHBondContact O-N 2.73Å; L99-L103 VanDerWaalsContact O-N 3.17Å; L99-F154 HydrophobicContact CD1-CB 4.48Å; L99-F154 HydrophobicContact CD2-CB 4.32Å; L99-V155 HydrophobicContact CB-CG2 3.78Å; L99-D158 HydrophobicContact CD1-CB 3.86Å; L99-L181 HydrophobicContact CD2-CB 4.13Å; L99-L181 HydrophobicContact CD2-CD1 4.45Å |
| 100 | L | 92.8 | Very high | 91.7 | Very high | 11 Ų | 11 | 40.6 Ų | 40.6 | 6% | 0.058 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.2 | -43.6 | 174.7 | -58.4 | -177 | 0 | 0 | 0 | 111.8 | L87 S96 T97 N102 L103 T104 V155 F324 | L87-L100 HydrophobicContact CD1-CB 3.88Å; L87-L100 HydrophobicContact CD2-CB 4.12Å; L87-L100 HydrophobicContact CD2-CD1 4.1Å; S96-L100 WeakPolarHBondContact O-CG 3.15Å; S96-L100 PolarHBondContact O-N 2.88Å; T97-L100 PolarHBondContact O-N 3Å; L100-N102 VanDerWaalsContact C-N 3.29Å; L100-N102 PolarHBondContact O-N 3.33Å; L100-L103 PolarHBondContact O-N 3.2Å; L100-T104 PolarHBondContact O-N 3.38Å; L100-T104 PolarHBondContact O-OG1 3.38Å; L100-V155 HydrophobicContact CD2-CG1 4.31Å; L100-V155 HydrophobicContact CD2-CG2 4.17Å; L100-F324 HydrophobicContact CB-CE2 4.43Å; L100-F324 HydrophobicContact CB-CZ 4.44Å; L100-F324 HydrophobicContact CD2-CD1 3.92Å; L100-F324 HydrophobicContact CD2-CE1 3.56Å; L100-F324 HydrophobicContact CD2-CZ 3.91Å |
| 101 | I | 94.3 | Very high | 92.3 | Very high | 39 Ų | 39 | 35.4 Ų | 35.4 | 20% | 0.2 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.5 | -42.6 | 174.2 | -70.1 | 164.9 | 0 | 0 | 0 | 110.4 | L84 L87 M88 T97 T98 L103 T104 V105 | L84-I101 HydrophobicContact CD1-CG2 3.98Å; L87-I101 HydrophobicContact CB-CD1 4.22Å; L87-I101 HydrophobicContact CB-CG1 3.59Å; L87-I101 HydrophobicContact CD1-CG1 4.34Å; M88-I101 HydrophobicContact CG-CD1 4.2Å; M88-I101 HydrophobicContact CG-CG1 4.43Å; T97-I101 HydrophobicContact CG2-CD1 4.17Å; T97-I101 VanDerWaalsContact O-CG1 3.24Å; T97-I101 WeakPolarHBondContact O-CG1 3.37Å; T97-I101 PolarHBondContact O-N 2.96Å; T98-I101 PolarHBondContact O-N 3.33Å; I101-L103 VanDerWaalsContact C-N 3.35Å; I101-L103 PolarHBondContact O-N 2.95Å; I101-T104 PolarHBondContact O-N 3.26Å; I101-T104 PolarHBondContact O-OG1 2.96Å; I101-V105 HydrophobicContact CG2-CG2 4.25Å; I101-V105 VanDerWaalsContact O-CG2 3.32Å; I101-V105 WeakPolarHBondContact O-CG2 3.3Å; I101-V105 PolarHBondContact O-N 2.68Å |
| 102 | N | 96 | Very high | 92.9 | Very high | 7 Ų | 7 | 39.8 Ų | 39.8 | 4% | 0.037 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -55.5 | -50.8 | 177.4 | -170.2 | 61 | 0 | 0 | 0 | 111.6 | T98 L99 L100 V105 I106 S151 T182 W186 | T98-N102 WeakPolarHBondContact O-CB 3.2Å; T98-N102 PolarHBondContact O-N 3.09Å; L99-N102 WeakPolarHBondContact O-CB 3.44Å; L99-N102 PolarHBondContact O-N 3.39Å; L100-N102 VanDerWaalsContact C-N 3.29Å; L100-N102 PolarHBondContact O-N 3.33Å; N102-V105 PolarHBondContact O-N 3.17Å; N102-I106 WeakPolarHBondContact ND2-CD1 3.44Å; N102-I106 WeakPolarHBondContact O-CD1 3.31Å; N102-I106 VanDerWaalsContact O-CG1 3.29Å; N102-I106 WeakPolarHBondContact O-CG1 3.24Å; N102-I106 PolarHBondContact O-N 3.32Å; N102-S151 PolarHBondContact ND2-OG 2.86Å; N102-T182 HydrophobicContact CB-CG2 4.29Å; N102-T182 WeakPolarHBondContact OD1-CG2 3.11Å; N102-W186 PolarHBondContact OD1-NE1 3.35Å |
| 103 | L | 95.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.6 | -47.8 | 179.1 | -174.6 | 53.6 | 0 | 0 | 0 | 111.5 | L99 L100 I101 V105 I106 D107 L152 H320 F324 | L99-L103 PolarHBondContact O-N 2.73Å; L99-L103 VanDerWaalsContact O-N 3.17Å; L100-L103 PolarHBondContact O-N 3.2Å; I101-L103 VanDerWaalsContact C-N 3.35Å; I101-L103 PolarHBondContact O-N 2.95Å; L103-V105 VanDerWaalsContact C-N 3.3Å; L103-V105 PolarHBondContact O-N 3.28Å; L103-I106 WeakPolarHBondContact O-CB 3.34Å; L103-I106 PolarHBondContact O-N 2.96Å; L103-I106 VanDerWaalsContact O-N 3.15Å; L103-D107 VanDerWaalsContact O-CG 3.27Å; L103-D107 PolarHBondContact O-N 2.91Å; L103-D107 VanDerWaalsContact O-OD2 3.13Å; L103-L152 HydrophobicContact CD2-CD2 3.7Å; L103-L152 HydrophobicContact CD2-CG 4.14Å; L103-H320 HydrophobicContact CD2-CB 4.46Å; L103-F324 HydrophobicContact CD2-CZ 4.09Å |
| 104 | T | 96 | Very high | 94.1 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.1 | -31.9 | 178.5 | 56.4 | 0 | 0 | 0 | 0 | 113.6 | A83 L87 L100 I101 C108 F324 | A83-T104 HydrophobicContact CB-CG2 4.17Å; L87-T104 HydrophobicContact CD1-CG2 3.98Å; L100-T104 PolarHBondContact O-N 3.38Å; L100-T104 PolarHBondContact O-OG1 3.38Å; I101-T104 PolarHBondContact O-N 3.26Å; I101-T104 PolarHBondContact O-OG1 2.96Å; T104-C108 WeakPolarHBondContact O-CB 3.34Å; T104-C108 PolarHBondContact O-N 2.6Å; T104-C108 PolarHBondContact O-SG 2.84Å; T104-F324 HydrophobicContact CG2-CE2 3.69Å |
| 105 | V | 97.4 | Very high | 94.7 | Very high | 44 Ų | 44 | 20.9 Ų | 20.9 | 27% | 0.267 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -69 | -42.9 | 174.7 | 172.7 | 0 | 0 | 0 | 0 | 110.6 | L84 I101 N102 L103 D107 C108 L109 W186 | L84-V105 HydrophobicContact CD1-CG2 3.82Å; L84-V105 HydrophobicContact CD2-CG2 4.25Å; I101-V105 HydrophobicContact CG2-CG2 4.25Å; I101-V105 VanDerWaalsContact O-CG2 3.32Å; I101-V105 WeakPolarHBondContact O-CG2 3.3Å; I101-V105 PolarHBondContact O-N 2.68Å; N102-V105 PolarHBondContact O-N 3.17Å; L103-V105 VanDerWaalsContact C-N 3.3Å; L103-V105 PolarHBondContact O-N 3.28Å; V105-D107 VanDerWaalsContact C-N 3.3Å; V105-D107 PolarHBondContact O-N 3.28Å; V105-C108 PolarHBondContact O-N 3.03Å; V105-L109 WeakPolarHBondContact O-CG 3.47Å; V105-L109 PolarHBondContact O-N 3.48Å; V105-W186 HydrophobicContact CB-CZ2 4.4Å; V105-W186 HydrophobicContact CG1-CH2 3.85Å; V105-W186 HydrophobicContact CG1-CZ2 3.67Å |
| 106 | I | 97.6 | Very high | 95.2 | Very high | 7 Ų | 7 | 23.1 Ų | 23.1 | 4% | 0.036 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.1 | -40.3 | 176.1 | -68.2 | 158.8 | 0 | 0 | 0 | 111 | N102 L103 L109 L110 N144 S148 S151 V185 W186 | N102-I106 WeakPolarHBondContact ND2-CD1 3.44Å; N102-I106 WeakPolarHBondContact O-CD1 3.31Å; N102-I106 VanDerWaalsContact O-CG1 3.29Å; N102-I106 WeakPolarHBondContact O-CG1 3.24Å; N102-I106 PolarHBondContact O-N 3.32Å; L103-I106 WeakPolarHBondContact O-CB 3.34Å; L103-I106 PolarHBondContact O-N 2.96Å; L103-I106 VanDerWaalsContact O-N 3.15Å; I106-L109 PolarHBondContact O-N 3.48Å; I106-L110 PolarHBondContact O-N 2.89Å; I106-N144 HydrophobicContact CG2-CB 4.37Å; I106-N144 PolarHBondContact O-ND2 3.25Å; I106-S148 VanDerWaalsContact CG2-OG 3.25Å; I106-S148 WeakPolarHBondContact CG2-OG 3.36Å; I106-S151 VanDerWaalsContact CD1-OG 3.25Å; I106-S151 WeakPolarHBondContact CD1-OG 3.43Å; I106-V185 HydrophobicContact CD1-CG1 3.99Å; I106-W186 HydrophobicContact CG1-CZ2 4.29Å |
| 107 | D | 96.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -68.4 | -41.6 | 175.3 | -62.5 | -38.2 | 0 | 0 | 0 | 112.1 | L103 V105 L109 L110 F111 S148 S317 H320 | L103-D107 VanDerWaalsContact O-CG 3.27Å; L103-D107 PolarHBondContact O-N 2.91Å; L103-D107 VanDerWaalsContact O-OD2 3.13Å; V105-D107 VanDerWaalsContact C-N 3.3Å; V105-D107 PolarHBondContact O-N 3.28Å; D107-L109 VanDerWaalsContact C-N 3.29Å; D107-L109 PolarHBondContact O-N 3.5Å; D107-L110 WeakPolarHBondContact O-CB 3.35Å; D107-L110 PolarHBondContact O-N 3.47Å; D107-L110 VanDerWaalsContact O-N 3.12Å; D107-F111 HydrophobicContact CB-CE2 3.92Å; D107-F111 HydrophobicContact CB-CZ 4.26Å; D107-F111 WeakPolarHBondContact O-CD2 3.4Å; D107-F111 VanDerWaalsContact O-CE2 3.31Å; D107-F111 WeakPolarHBondContact O-CE2 3.37Å; D107-F111 WeakPolarHBondContact O-CG 3.47Å; D107-F111 PolarHBondContact O-N 3.44Å; D107-F111 VanDerWaalsContact O-N 3.13Å; D107-S148 PolarHBondContact OD1-OG 3.11Å; D107-S317 VanDerWaalsContact OD1-CB 3.25Å; D107-S317 WeakPolarHBondContact OD1-CB 3.41Å; D107-S317 PolarHBondContact OD1-OG 3.3Å; D107-H320 IonicContact OD1-CE1 3.44Å; D107-H320 IonicContact OD1-ND1 3.78Å; D107-H320 IonicContact OD2-CE1 2.8Å; D107-H320 IonicContact OD2-CG 3Å; D107-H320 IonicContact OD2-ND1 2.77Å; D107-H320 PolarHBondContact OD2-ND1 3.02Å |
| 108 | C | 97.3 | Very high | 95.9 | Very high | 15 Ų | 15 | 22.6 Ų | 22.6 | 10% | 0.101 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -58.9 | -39.7 | 173.9 | -70.6 | 0 | 0 | 0 | 0 | 112.2 | T104 V105 L110 F111 L112 | T104-C108 WeakPolarHBondContact O-CB 3.34Å; T104-C108 PolarHBondContact O-N 2.6Å; T104-C108 PolarHBondContact O-SG 2.84Å; V105-C108 PolarHBondContact O-N 3.03Å; C108-L110 VanDerWaalsContact C-N 3.32Å; C108-L110 PolarHBondContact O-N 2.77Å; C108-F111 PolarHBondContact O-N 2.79Å; C108-L112 WeakPolarHBondContact O-CG 3.14Å; C108-L112 PolarHBondContact O-N 3Å; C108-L112 VanDerWaalsContact O-N 3.12Å |
| 109 | L | 96.9 | Very high | 96.1 | Very high | 62 Ų | 62 | 23.7 Ų | 23.7 | 33% | 0.325 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -63.4 | -35.1 | 175.8 | -71.2 | -175.5 | 0 | 0 | 0 | 113.1 | V105 I106 D107 L112 M140 W186 | V105-L109 WeakPolarHBondContact O-CG 3.47Å; V105-L109 PolarHBondContact O-N 3.48Å; I106-L109 PolarHBondContact O-N 3.48Å; D107-L109 VanDerWaalsContact C-N 3.29Å; D107-L109 PolarHBondContact O-N 3.5Å; L109-L112 HydrophobicContact CD2-CD1 4.2Å; L109-L112 PolarHBondContact O-N 2.99Å; L109-M140 HydrophobicContact CB-CE 3.88Å; L109-M140 HydrophobicContact CD2-CE 4.05Å; L109-M140 HydrophobicContact CG-CE 4.4Å; L109-M140 WeakPolarHBondContact O-CE 3.37Å; L109-W186 HydrophobicContact CD1-CH2 3.66Å; L109-W186 HydrophobicContact CD1-CZ3 4.01Å |
| 110 | L | 96.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.3 | -49.7 | 172 | 168.7 | 68.5 | 0 | 0 | 0 | 111 | I106 D107 C108 L112 V113 L114 L141 N144 T314 | I106-L110 PolarHBondContact O-N 2.89Å; D107-L110 WeakPolarHBondContact O-CB 3.35Å; D107-L110 PolarHBondContact O-N 3.47Å; D107-L110 VanDerWaalsContact O-N 3.12Å; C108-L110 VanDerWaalsContact C-N 3.32Å; C108-L110 PolarHBondContact O-N 2.77Å; L110-L112 PolarHBondContact O-N 3.29Å; L110-V113 WeakPolarHBondContact O-CG2 3.3Å; L110-V113 PolarHBondContact O-N 3.15Å; L110-L114 HydrophobicContact CD1-CD2 3.8Å; L110-L114 HydrophobicContact CD1-CG 4.16Å; L110-L114 HydrophobicContact CG-CD1 4.45Å; L110-L114 HydrophobicContact CG-CD2 4.32Å; L110-L114 HydrophobicContact CG-CG 4.19Å; L110-L114 PolarHBondContact O-N 3.27Å; L110-L141 HydrophobicContact CD1-CD1 3.6Å; L110-N144 HydrophobicContact CB-CB 3.9Å; L110-N144 WeakPolarHBondContact CB-ND2 3.13Å; L110-N144 HydrophobicContact CD1-CB 4.38Å; L110-T314 HydrophobicContact CD1-CG2 4.12Å; L110-T314 HydrophobicContact CD2-CG2 4.34Å |
| 111 | F | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.9 | -26.4 | -178.1 | -52.8 | -46.7 | 0 | 0 | 0 | 112.8 | T72 F73 G76 L77 N80 D107 C108 V113 L114 P115 | T72-F111 HydrophobicContact CG2-CD1 4.44Å; T72-F111 HydrophobicContact CG2-CE1 3.92Å; F73-F111 HydrophobicContact CD2-CB 4.24Å; F73-F111 VanDerWaalsContact CD2-O 3.24Å; F73-F111 WeakPolarHBondContact CD2-O 3.47Å; F73-F111 VanDerWaalsContact CE2-O 3.26Å; F73-F111 WeakPolarHBondContact CE2-O 3.4Å; G76-F111 VanDerWaalsContact CA-CZ 3.46Å; G76-F111 VanDerWaalsContact O-CE2 3.26Å; G76-F111 WeakPolarHBondContact O-CE2 3.39Å; L77-F111 HydrophobicContact CB-CB 3.99Å; L77-F111 HydrophobicContact CB-CD2 4.19Å; L77-F111 HydrophobicContact CB-CG 4.17Å; L77-F111 HydrophobicContact CD1-CB 3.91Å; L77-F111 HydrophobicContact CD1-CD2 4.29Å; L77-F111 HydrophobicContact CG-CB 4.46Å; N80-F111 HydrophobicContact CB-CE2 3.87Å; N80-F111 WeakPolarHBondContact ND2-CE2 3.47Å; D107-F111 HydrophobicContact CB-CE2 3.92Å; D107-F111 HydrophobicContact CB-CZ 4.26Å; D107-F111 WeakPolarHBondContact O-CD2 3.4Å; D107-F111 VanDerWaalsContact O-CE2 3.31Å; D107-F111 WeakPolarHBondContact O-CE2 3.37Å; D107-F111 WeakPolarHBondContact O-CG 3.47Å; D107-F111 PolarHBondContact O-N 3.44Å; D107-F111 VanDerWaalsContact O-N 3.13Å; C108-F111 PolarHBondContact O-N 2.79Å; F111-V113 VanDerWaalsContact C-N 3.29Å; F111-V113 PolarHBondContact O-N 2.81Å; F111-L114 HydrophobicContact CD1-CD1 3.96Å; F111-P115 WeakPolarHBondContact O-CD 3.31Å |
| 112 | L | 96.1 | Very high | 96.2 | Very high | 106 Ų | 106 | 26.2 Ų | 26.2 | 56% | 0.555 | 14% | 0.138 | S | C | * | . | H | α-helix | trans | -66.7 | -26.7 | 171.5 | -68.3 | 177.5 | 0 | 0 | 0 | 113.5 | C108 L109 L110 | C108-L112 WeakPolarHBondContact O-CG 3.14Å; C108-L112 PolarHBondContact O-N 3Å; C108-L112 VanDerWaalsContact O-N 3.12Å; L109-L112 HydrophobicContact CD2-CD1 4.2Å; L109-L112 PolarHBondContact O-N 2.99Å; L110-L112 PolarHBondContact O-N 3.29Å |
| 113 | V | 96.4 | Very high | 96 | Very high | 7 Ų | 7 | 32 Ų | 32 | 4% | 0.042 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -100.4 | -18.4 | -179.9 | -63.2 | 0 | 0 | 0 | 0 | 114.9 | L110 F111 P115 F116 V137 M140 | L110-V113 WeakPolarHBondContact O-CG2 3.3Å; L110-V113 PolarHBondContact O-N 3.15Å; F111-V113 VanDerWaalsContact C-N 3.29Å; F111-V113 PolarHBondContact O-N 2.81Å; V113-P115 VanDerWaalsContact C-CD 3.46Å; V113-F116 HydrophobicContact CB-CD2 4.4Å; V113-F116 PolarHBondContact O-N 2.85Å; V113-F116 VanDerWaalsContact O-N 3.17Å; V113-V137 HydrophobicContact CB-CG1 4.43Å; V113-V137 HydrophobicContact CB-CG2 4.27Å; V113-V137 HydrophobicContact CG1-CG2 4.34Å; V113-M140 HydrophobicContact CG1-CB 3.9Å; V113-M140 HydrophobicContact CG1-CE 3.77Å; V113-M140 HydrophobicContact CG1-CG 4.32Å; V113-M140 HydrophobicContact CG1-SD 3.55Å; V113-M140 VanDerWaalsContact CG1-SD 3.55Å; V113-M140 HydrophobicContact CG2-CB 3.96Å |
| 114 | L | 96.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -54 | -40.4 | 175.7 | -71.2 | -170.8 | 0 | 0 | 0 | 114.4 | Y69 T72 F73 L110 F111 F116 R117 I118 T314 | Y69-L114 HydrophobicContact CD1-CD2 3.66Å; Y69-L114 HydrophobicContact CE1-CD2 4.22Å; Y69-L114 HydrophobicContact CG-CD2 4.41Å; T72-L114 HydrophobicContact CG2-CD1 3.62Å; F73-L114 HydrophobicContact CB-CD1 4.33Å; L110-L114 HydrophobicContact CD1-CD2 3.8Å; L110-L114 HydrophobicContact CD1-CG 4.16Å; L110-L114 HydrophobicContact CG-CD1 4.45Å; L110-L114 HydrophobicContact CG-CD2 4.32Å; L110-L114 HydrophobicContact CG-CG 4.19Å; L110-L114 PolarHBondContact O-N 3.27Å; F111-L114 HydrophobicContact CD1-CD1 3.96Å; L114-F116 PolarHBondContact O-N 2.8Å; L114-F116 VanDerWaalsContact O-N 3.16Å; L114-R117 PolarHBondContact O-N 2.91Å; L114-I118 HydrophobicContact CB-CD1 4.38Å; L114-I118 VanDerWaalsContact O-CG1 3.32Å; L114-I118 WeakPolarHBondContact O-CG1 3.35Å; L114-I118 PolarHBondContact O-N 3Å; L114-T314 HydrophobicContact CD2-CG2 4.34Å |
| 115 | P | 97.5 | Very high | 95.4 | Very high | 45 Ų | 45 | 33 Ų | 33 | 29% | 0.292 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -52.4 | -37 | 176.7 | -30.8 | 37.5 | 0 | 0 | 0 | 114.1 | F73 F111 V113 I118 V119 | F73-P115 HydrophobicContact CD2-CG 4Å; F73-P115 HydrophobicContact CE2-CG 3.67Å; F73-P115 HydrophobicContact CZ-CG 4.17Å; F111-P115 WeakPolarHBondContact O-CD 3.31Å; V113-P115 VanDerWaalsContact C-CD 3.46Å; P115-I118 PolarHBondContact O-N 2.88Å; P115-V119 WeakPolarHBondContact O-CG2 3.05Å; P115-V119 PolarHBondContact O-N 3.02Å |
| 116 | F | 97 | Very high | 95.1 | Very high | 70 Ų | 70 | 33.3 Ų | 33.3 | 31% | 0.307 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -70 | -39.1 | 178.6 | -54.2 | -67.1 | 0 | 0 | 0 | 112.4 | V113 L114 Y120 W127 L129 L133 V137 | V113-F116 HydrophobicContact CB-CD2 4.4Å; V113-F116 PolarHBondContact O-N 2.85Å; V113-F116 VanDerWaalsContact O-N 3.17Å; L114-F116 PolarHBondContact O-N 2.8Å; L114-F116 VanDerWaalsContact O-N 3.16Å; F116-Y120 VanDerWaalsContact O-CB 3.28Å; F116-Y120 WeakPolarHBondContact O-CB 3.25Å; F116-Y120 PolarHBondContact O-N 2.91Å; F116-W127 HydrophobicContact CB-CH2 3.91Å; F116-W127 HydrophobicContact CB-CZ3 4.19Å; F116-L129 HydrophobicContact CD1-CD1 3.64Å; F116-L129 HydrophobicContact CE1-CD1 4.39Å; F116-L129 HydrophobicContact CG-CD1 4.49Å; F116-L133 HydrophobicContact CD1-CD2 3.85Å; F116-L133 HydrophobicContact CE1-CD2 3.85Å; F116-L133 HydrophobicContact CG-CD2 4.33Å; F116-L133 HydrophobicContact CZ-CD2 4.35Å; F116-V137 HydrophobicContact CB-CG1 4.47Å; F116-V137 HydrophobicContact CB-CG2 3.85Å; F116-V137 HydrophobicContact CD2-CG2 3.63Å; F116-V137 HydrophobicContact CE2-CG2 4.49Å; F116-V137 HydrophobicContact CG-CG2 3.97Å |
| 117 | R | 95.2 | Very high | 94.9 | Very high | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.008 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.7 | -39.3 | 172.2 | -73 | -68.4 | -79.3 | 175.7 | -4 | 111.2 | L114 Y120 H121 V137 C213 D215 | L114-R117 PolarHBondContact O-N 2.91Å; R117-Y120 PolarHBondContact O-N 3.42Å; R117-H121 PolarHBondContact NH2-NE2 2.75Å; R117-H121 PolarHBondContact O-CD2 2.74Å; R117-H121 PolarHBondContact O-N 3.19Å; R117-V137 HydrophobicContact CG-CG1 3.94Å; R117-C213 PolarHBondContact NH1-O 2.97Å; R117-D215 IonicContact CZ-OD1 2.72Å; R117-D215 IonicContact NH1-OD1 3.74Å; R117-D215 PolarHBondContact NH1-OD1 2.94Å; R117-D215 IonicContact NH1-OD2 3.79Å; R117-D215 PolarHBondContact NH1-OD2 2.9Å; R117-D215 IonicContact NH2-OD1 3.24Å; R117-D215 PolarHBondContact NH2-OD1 2.98Å; R117-D215 IonicContact NH2-OD2 3.97Å |
| 118 | I | 96.4 | Very high | 94.8 | Very high | 13 Ų | 13 | 38.8 Ų | 38.8 | 7% | 0.067 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.7 | -50.6 | 176.6 | -67 | 161.4 | 0 | 0 | 0 | 110.7 | P66 Y69 L70 F73 L114 P115 Y120 H121 F122 | P66-I118 HydrophobicContact CB-CG2 4.29Å; Y69-I118 VanDerWaalsContact CB-CG1 3.49Å; L70-I118 HydrophobicContact CB-CD1 4.13Å; L70-I118 HydrophobicContact CD1-CD1 4.31Å; F73-I118 HydrophobicContact CB-CD1 4.31Å; L114-I118 HydrophobicContact CB-CD1 4.38Å; L114-I118 VanDerWaalsContact O-CG1 3.32Å; L114-I118 WeakPolarHBondContact O-CG1 3.35Å; L114-I118 PolarHBondContact O-N 3Å; P115-I118 PolarHBondContact O-N 2.88Å; I118-Y120 PolarHBondContact O-N 3.49Å; I118-H121 PolarHBondContact O-N 3.25Å; I118-F122 HydrophobicContact CG2-CD2 3.62Å; I118-F122 HydrophobicContact CG2-CE2 3.54Å; I118-F122 WeakPolarHBondContact O-CD2 3.37Å; I118-F122 PolarHBondContact O-N 3.21Å |
| 119 | V | 96.1 | Very high | 94.7 | Very high | 66 Ų | 66 | 42.1 Ų | 42.1 | 40% | 0.4 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.6 | -42.6 | 178.6 | 171.4 | 0 | 0 | 0 | 0 | 111.6 | P115 F122 R123 | P115-V119 WeakPolarHBondContact O-CG2 3.05Å; P115-V119 PolarHBondContact O-N 3.02Å; V119-F122 PolarHBondContact O-N 3.16Å; V119-R123 HydrophobicContact CG1-CG 4.42Å; V119-R123 WeakPolarHBondContact O-CB 3.36Å; V119-R123 WeakPolarHBondContact O-CG 3.43Å; V119-R123 PolarHBondContact O-N 3.31Å |
| 120 | Y | 94.5 | Very high | 94.6 | Very high | 4 Ų | 4 | 40.7 Ų | 40.7 | 2% | 0.016 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.5 | -49.4 | 177.7 | 167.6 | -101.3 | 0 | 0 | 0 | 113.1 | F116 R117 I118 R123 N125 W127 C213 D215 | F116-Y120 VanDerWaalsContact O-CB 3.28Å; F116-Y120 WeakPolarHBondContact O-CB 3.25Å; F116-Y120 PolarHBondContact O-N 2.91Å; R117-Y120 PolarHBondContact O-N 3.42Å; I118-Y120 PolarHBondContact O-N 3.49Å; Y120-R123 PolarHBondContact O-N 3.01Å; Y120-N125 HydrophobicContact CE1-CB 4.04Å; Y120-N125 WeakPolarHBondContact CE1-OD1 3.41Å; Y120-N125 HydrophobicContact CE2-CB 4.26Å; Y120-N125 WeakPolarHBondContact CE2-O 3.43Å; Y120-N125 WeakPolarHBondContact O-CA 3.48Å; Y120-N125 PolarHBondContact O-N 3.08Å; Y120-W127 HydrophobicContact CD2-CB 3.76Å; Y120-W127 HydrophobicContact CD2-CD2 4.44Å; Y120-W127 AromaticContact CD2-CE3 3.71Å; Y120-W127 HydrophobicContact CD2-CE3 3.71Å; Y120-W127 HydrophobicContact CE2-CB 3.81Å; Y120-W127 HydrophobicContact CE2-CE3 4.48Å; Y120-W127 AromaticContact CG-CE3 3.98Å; Y120-W127 HydrophobicContact CG-CE3 3.98Å; Y120-C213 HydrophobicContact CD2-CB 4.5Å; Y120-C213 HydrophobicContact CE2-CB 4.07Å; Y120-C213 PolarHBondContact OH-N 3.43Å; Y120-C213 VanDerWaalsContact OH-N 3.13Å; Y120-D215 WeakPolarHBondContact CE1-OD2 3.24Å; Y120-D215 VanDerWaalsContact CZ-OD2 3.22Å; Y120-D215 PolarHBondContact OH-OD2 3.32Å |
| 121 | H | 93.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.8 | -43 | 178.6 | -78.2 | -71.6 | 0 | 0 | 0 | 111.6 | T61 N62 P66 Y69 R117 I118 R123 G124 N125 | T61-H121 PolarHBondContact O-ND1 3.41Å; N62-H121 WeakPolarHBondContact CA-O 3.29Å; N62-H121 PolarHBondContact OD1-O 3.07Å; P66-H121 HydrophobicContact CB-CB 3.89Å; P66-H121 HydrophobicContact CG-CB 3.75Å; Y69-H121 AromaticContact CE2-CD2 3.9Å; Y69-H121 AromaticContact CE2-NE2 3.98Å; R117-H121 PolarHBondContact NH2-NE2 2.75Å; R117-H121 PolarHBondContact O-CD2 2.74Å; R117-H121 PolarHBondContact O-N 3.19Å; I118-H121 PolarHBondContact O-N 3.25Å; H121-R123 PolarHBondContact O-N 3.09Å; H121-G124 PolarHBondContact O-N 3.39Å; H121-N125 PolarHBondContact CE1-OD1 3.48Å; H121-N125 VanDerWaalsContact CE1-OD1 3.25Å; H121-N125 PolarHBondContact ND1-OD1 2.9Å |
| 122 | F | 94.1 | Very high | 94.5 | Very high | 103 Ų | 103 | 46.8 Ų | 46.8 | 45% | 0.452 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.9 | -23.4 | 175.6 | -78.8 | -46.2 | 0 | 0 | 0 | 114 | N62 L63 P66 I118 V119 G124 | N62-F122 WeakPolarHBondContact O-CD1 3.36Å; L63-F122 HydrophobicContact CD1-CE1 4.3Å; P66-F122 HydrophobicContact CB-CD1 3.98Å; P66-F122 HydrophobicContact CB-CD2 3.89Å; P66-F122 HydrophobicContact CB-CE1 3.84Å; P66-F122 HydrophobicContact CB-CE2 3.77Å; P66-F122 HydrophobicContact CB-CG 3.99Å; P66-F122 HydrophobicContact CB-CZ 3.74Å; P66-F122 HydrophobicContact CG-CD1 3.64Å; P66-F122 HydrophobicContact CG-CD2 4.46Å; P66-F122 HydrophobicContact CG-CE1 3.59Å; P66-F122 HydrophobicContact CG-CE2 4.43Å; P66-F122 HydrophobicContact CG-CG 4.09Å; P66-F122 HydrophobicContact CG-CZ 4.01Å; I118-F122 HydrophobicContact CG2-CD2 3.62Å; I118-F122 HydrophobicContact CG2-CE2 3.54Å; I118-F122 WeakPolarHBondContact O-CD2 3.37Å; I118-F122 PolarHBondContact O-N 3.21Å; V119-F122 PolarHBondContact O-N 3.16Å; F122-G124 PolarHBondContact O-N 3.03Å |
| 123 | R | 91.9 | Very high | 94.5 | Very high | 128 Ų | 128 | 43.9 Ų | 43.9 | 48% | 0.483 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 17.4 | 172.3 | -72.3 | -173.9 | 178.5 | -159.9 | 0.9 | 113.6 | V119 Y120 H121 H126 E128 | V119-R123 HydrophobicContact CG1-CG 4.42Å; V119-R123 WeakPolarHBondContact O-CB 3.36Å; V119-R123 WeakPolarHBondContact O-CG 3.43Å; V119-R123 PolarHBondContact O-N 3.31Å; Y120-R123 PolarHBondContact O-N 3.01Å; H121-R123 PolarHBondContact O-N 3.09Å; R123-H126 HydrophobicContact CB-CB 4.47Å; R123-H126 WeakPolarHBondContact O-CB 3.24Å; R123-E128 IonicContact CZ-OE1 3.71Å; R123-E128 IonicContact CZ-OE2 3.93Å; R123-E128 IonicContact NH1-OE1 2.66Å; R123-E128 PolarHBondContact NH1-OE1 3.17Å; R123-E128 IonicContact NH1-OE2 2.71Å; R123-E128 PolarHBondContact NH1-OE2 3.44Å |
| 124 | G | 89.1 | Confident | 94.5 | Very high | 20 Ų | 20 | 43.6 Ų | 43.6 | 21% | 0.206 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | 33.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | N62 H121 F122 H126 | N62-G124 WeakPolarHBondContact OD1-CA 3.33Å; H121-G124 PolarHBondContact O-N 3.39Å; F122-G124 PolarHBondContact O-N 3.03Å; G124-H126 VanDerWaalsContact C-N 3.32Å; G124-H126 PolarHBondContact O-N 3.44Å |
| 125 | N | 89.3 | Confident | 94.6 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | S | Bend | trans | 62.9 | 33.3 | -174.4 | -60.6 | -62.6 | 0 | 0 | 0 | 114.1 | I56 N62 Y120 H121 | I56-N125 HydrophobicContact CG2-CB 3.81Å; I56-N125 PolarHBondContact O-ND2 3Å; N62-N125 PolarHBondContact OD1-ND2 2.62Å; Y120-N125 HydrophobicContact CE1-CB 4.04Å; Y120-N125 WeakPolarHBondContact CE1-OD1 3.41Å; Y120-N125 HydrophobicContact CE2-CB 4.26Å; Y120-N125 WeakPolarHBondContact CE2-O 3.43Å; Y120-N125 WeakPolarHBondContact O-CA 3.48Å; Y120-N125 PolarHBondContact O-N 3.08Å; H121-N125 PolarHBondContact CE1-OD1 3.48Å; H121-N125 VanDerWaalsContact CE1-OD1 3.25Å; H121-N125 PolarHBondContact ND1-OD1 2.9Å |
| 126 | H | 91.6 | Very high | 94.6 | Very high | 50 Ų | 50 | 48.2 Ų | 48.2 | 23% | 0.231 | 25% | 0.246 | C | C | . | . | trans | -101.9 | 119.1 | 175.7 | -168.8 | 82.4 | 0 | 0 | 0 | 111.5 | R123 G124 E128 I210 T211 | R123-H126 HydrophobicContact CB-CB 4.47Å; R123-H126 WeakPolarHBondContact O-CB 3.24Å; G124-H126 VanDerWaalsContact C-N 3.32Å; G124-H126 PolarHBondContact O-N 3.44Å; H126-E128 IonicContact CD2-OE1 3.38Å; H126-E128 PolarHBondContact CD2-OE1 2.99Å; H126-I210 HydrophobicContact CB-CB 4.36Å; H126-I210 HydrophobicContact CB-CG2 4.24Å; H126-I210 VanDerWaalsContact ND1-CA 3.25Å; H126-I210 WeakPolarHBondContact ND1-CA 3.49Å; H126-I210 WeakPolarHBondContact ND1-CB 3.47Å; H126-T211 PolarHBondContact ND1-N 2.6Å | ||
| 127 | W | 94.1 | Very high | 94.6 | Very high | 9 Ų | 9 | 44.9 Ų | 44.9 | 3% | 0.034 | 23% | 0.231 | C | C | . | . | trans | -103 | 102.4 | -177.4 | -173.8 | -88.7 | 0 | 0 | 0 | 112.7 | F116 Y120 L129 G130 L133 C134 V137 T202 T211 C213 | F116-W127 HydrophobicContact CB-CH2 3.91Å; F116-W127 HydrophobicContact CB-CZ3 4.19Å; Y120-W127 HydrophobicContact CD2-CB 3.76Å; Y120-W127 HydrophobicContact CD2-CD2 4.44Å; Y120-W127 AromaticContact CD2-CE3 3.71Å; Y120-W127 HydrophobicContact CD2-CE3 3.71Å; Y120-W127 HydrophobicContact CE2-CB 3.81Å; Y120-W127 HydrophobicContact CE2-CE3 4.48Å; Y120-W127 AromaticContact CG-CE3 3.98Å; Y120-W127 HydrophobicContact CG-CE3 3.98Å; W127-L129 HydrophobicContact CH2-CB 4.5Å; W127-L129 HydrophobicContact CH2-CD1 4.17Å; W127-L129 HydrophobicContact CZ2-CB 3.8Å; W127-L129 HydrophobicContact CZ2-CD1 4.28Å; W127-G130 PolarHBondContact NE1-O 3.49Å; W127-L133 HydrophobicContact CH2-CD2 4.45Å; W127-L133 HydrophobicContact CH2-CG 4.45Å; W127-L133 HydrophobicContact CZ2-CB 4.01Å; W127-L133 HydrophobicContact CZ2-CD2 4.13Å; W127-L133 HydrophobicContact CZ2-CG 4.03Å; W127-C134 HydrophobicContact CD2-CB 4.35Å; W127-C134 HydrophobicContact CZ2-CB 3.97Å; W127-V137 HydrophobicContact CH2-CB 4.38Å; W127-V137 HydrophobicContact CH2-CG2 4.11Å; W127-T202 HydrophobicContact CG-CG2 4.33Å; W127-T211 WeakPolarHBondContact CB-O 3.19Å; W127-T211 PolarHBondContact N-O 3.3Å; W127-C213 HydrophobicContact CB-CB 3.88Å; W127-C213 HydrophobicContact CD2-CB 3.65Å; W127-C213 HydrophobicContact CE3-CB 3.7Å; W127-C213 HydrophobicContact CG-CB 3.72Å | ||
| 128 | E | 94.3 | Very high | 94.6 | Very high | 114 Ų | 114 | 44.8 Ų | 44.8 | 53% | 0.533 | 23% | 0.231 | S | C | . | . | trans | -93.8 | -15.1 | 177.9 | -74 | 160.7 | -115.9 | 0 | 0 | 114.3 | R123 H126 G130 | R123-E128 IonicContact CZ-OE1 3.71Å; R123-E128 IonicContact CZ-OE2 3.93Å; R123-E128 IonicContact NH1-OE1 2.66Å; R123-E128 PolarHBondContact NH1-OE1 3.17Å; R123-E128 IonicContact NH1-OE2 2.71Å; R123-E128 PolarHBondContact NH1-OE2 3.44Å; H126-E128 IonicContact CD2-OE1 3.38Å; H126-E128 PolarHBondContact CD2-OE1 2.99Å; E128-G130 PolarHBondContact O-N 3.42Å | ||
| 129 | L | 94.2 | Very high | 94.6 | Very high | 84 Ų | 84 | 44.5 Ų | 44.5 | 44% | 0.44 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -79.3 | 14.9 | -167.7 | -53.9 | 174.5 | 0 | 0 | 0 | 114.2 | F116 W127 L133 | F116-L129 HydrophobicContact CD1-CD1 3.64Å; F116-L129 HydrophobicContact CE1-CD1 4.39Å; F116-L129 HydrophobicContact CG-CD1 4.49Å; W127-L129 HydrophobicContact CH2-CB 4.5Å; W127-L129 HydrophobicContact CH2-CD1 4.17Å; W127-L129 HydrophobicContact CZ2-CB 3.8Å; W127-L129 HydrophobicContact CZ2-CD1 4.28Å; L129-L133 HydrophobicContact CB-CD2 3.65Å; L129-L133 HydrophobicContact CD1-CD2 3.79Å; L129-L133 HydrophobicContact CG-CD2 4.32Å; L129-L133 WeakPolarHBondContact O-CB 3.37Å |
| 130 | G | 94.8 | Very high | 94.7 | Very high | 32 Ų | 32 | 44 Ų | 44 | 33% | 0.33 | 23% | 0.225 | S | C | . | . | trans | 76.8 | 155.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115 | W127 E128 L133 C134 | W127-G130 PolarHBondContact NE1-O 3.49Å; E128-G130 PolarHBondContact O-N 3.42Å; G130-L133 PolarHBondContact O-N 2.92Å; G130-C134 PolarHBondContact O-N 2.8Å | ||
| 131 | E | 94.7 | Very high | 94.7 | Very high | 37 Ų | 37 | 44.1 Ų | 44.1 | 17% | 0.173 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -55.2 | -43.7 | -180 | 168.8 | 65.8 | 175 | 0 | 0 | 114.4 | L133 C134 R135 R200 Q201 T202 | E131-L133 VanDerWaalsContact C-N 3.33Å; E131-L133 PolarHBondContact O-N 3.25Å; E131-C134 PolarHBondContact O-N 3.26Å; E131-R135 WeakPolarHBondContact O-CG 3.44Å; E131-R135 PolarHBondContact O-N 3.38Å; E131-R135 VanDerWaalsContact O-N 3.13Å; E131-R135 IonicContact OE1-CZ 2.79Å; E131-R135 IonicContact OE1-NE 3.34Å; E131-R135 PolarHBondContact OE1-NE 3.37Å; E131-R135 IonicContact OE1-NH2 3.55Å; E131-R135 PolarHBondContact OE1-NH2 2.95Å; E131-R200 WeakPolarHBondContact OE1-CA 3.22Å; E131-R200 WeakPolarHBondContact OE1-CG 3.26Å; E131-Q201 PolarHBondContact OE1-N 3.12Å; E131-Q201 PolarHBondContact OE2-N 2.82Å; E131-T202 VanDerWaalsContact OE2-CB 3.25Å; E131-T202 WeakPolarHBondContact OE2-CB 3.35Å; E131-T202 WeakPolarHBondContact OE2-CG2 3.43Å; E131-T202 PolarHBondContact OE2-N 3.27Å; E131-T202 PolarHBondContact OE2-OG1 3.36Å |
| 132 | P | 96.7 | Very high | 94.8 | Very high | 91 Ų | 91 | 44.2 Ų | 44.2 | 59% | 0.591 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -61.2 | -38.3 | -178.5 | -24.5 | 35.4 | 0 | 0 | 0 | 113.4 | R135 I136 | P132-R135 PolarHBondContact O-N 3.01Å; P132-I136 WeakPolarHBondContact O-CG1 3.25Å; P132-I136 PolarHBondContact O-N 2.79Å |
| 133 | L | 97.1 | Very high | 94.9 | Very high | 46 Ų | 46 | 39.8 Ų | 39.8 | 24% | 0.241 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -74.1 | -34.8 | 179.3 | -169.2 | 69 | 0 | 0 | 0 | 111.5 | F116 W127 L129 G130 E131 R135 I136 V137 | F116-L133 HydrophobicContact CD1-CD2 3.85Å; F116-L133 HydrophobicContact CE1-CD2 3.85Å; F116-L133 HydrophobicContact CG-CD2 4.33Å; F116-L133 HydrophobicContact CZ-CD2 4.35Å; W127-L133 HydrophobicContact CH2-CD2 4.45Å; W127-L133 HydrophobicContact CH2-CG 4.45Å; W127-L133 HydrophobicContact CZ2-CB 4.01Å; W127-L133 HydrophobicContact CZ2-CD2 4.13Å; W127-L133 HydrophobicContact CZ2-CG 4.03Å; L129-L133 HydrophobicContact CB-CD2 3.65Å; L129-L133 HydrophobicContact CD1-CD2 3.79Å; L129-L133 HydrophobicContact CG-CD2 4.32Å; L129-L133 WeakPolarHBondContact O-CB 3.37Å; G130-L133 PolarHBondContact O-N 2.92Å; E131-L133 VanDerWaalsContact C-N 3.33Å; E131-L133 PolarHBondContact O-N 3.25Å; L133-R135 VanDerWaalsContact C-N 3.33Å; L133-R135 PolarHBondContact O-N 3.28Å; L133-I136 PolarHBondContact O-N 2.72Å; L133-V137 HydrophobicContact CD1-CG2 4.45Å; L133-V137 HydrophobicContact CG-CG2 4.21Å; L133-V137 WeakPolarHBondContact O-CB 3.37Å; L133-V137 WeakPolarHBondContact O-CG2 3.22Å; L133-V137 PolarHBondContact O-N 3.08Å |
| 134 | C | 96.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.9 | -47.4 | 173 | 178 | 0 | 0 | 0 | 0 | 110.5 | W127 G130 E131 I136 V137 M138 Q201 T202 C213 | W127-C134 HydrophobicContact CD2-CB 4.35Å; W127-C134 HydrophobicContact CZ2-CB 3.97Å; G130-C134 PolarHBondContact O-N 2.8Å; E131-C134 PolarHBondContact O-N 3.26Å; C134-I136 PolarHBondContact O-N 3.19Å; C134-V137 PolarHBondContact O-N 3.46Å; C134-M138 VanDerWaalsContact O-CG 3.28Å; C134-M138 WeakPolarHBondContact O-CG 3.28Å; C134-M138 PolarHBondContact O-N 2.81Å; C134-Q201 HydrophobicContact CB-CB 4.43Å; C134-Q201 WeakPolarHBondContact SG-CB 3.38Å; C134-T202 HydrophobicContact CB-CG2 3.66Å; C134-C213 VanDerWaalsContact CA-SG 3.57Å; C134-C213 HydrophobicContact CB-CB 4.06Å; C134-C213 WeakPolarHBondContact CB-SG 3.26Å; C134-C213 WeakPolarHBondContact SG-CA 3.44Å; C134-C213 WeakPolarHBondContact SG-CB 3.31Å; C134-C213 CovalentContact SG-SG 2.04Å; C134-C213 PolarHBondContact SG-SG 2.85Å |
| 135 | R | 97.1 | Very high | 95.4 | Very high | 65 Ų | 65 | 33.6 Ų | 33.6 | 25% | 0.245 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -55.2 | -48.7 | 175.1 | -67.1 | 173.4 | -174.6 | -148.1 | 0.2 | 112.9 | E131 P132 L133 A139 L197 L198 S199 Q201 | E131-R135 WeakPolarHBondContact O-CG 3.44Å; E131-R135 PolarHBondContact O-N 3.38Å; E131-R135 VanDerWaalsContact O-N 3.13Å; E131-R135 IonicContact OE1-CZ 2.79Å; E131-R135 IonicContact OE1-NE 3.34Å; E131-R135 PolarHBondContact OE1-NE 3.37Å; E131-R135 IonicContact OE1-NH2 3.55Å; E131-R135 PolarHBondContact OE1-NH2 2.95Å; P132-R135 PolarHBondContact O-N 3.01Å; L133-R135 VanDerWaalsContact C-N 3.33Å; L133-R135 PolarHBondContact O-N 3.28Å; R135-A139 WeakPolarHBondContact O-CB 3.35Å; R135-A139 PolarHBondContact O-N 2.78Å; R135-L197 WeakPolarHBondContact CD-O 3.43Å; R135-L197 PolarHBondContact NH1-O 3.27Å; R135-L198 PolarHBondContact NH1-O 2.86Å; R135-S199 PolarHBondContact NE-O 3.47Å; R135-Q201 HydrophobicContact CB-CG 4.42Å; R135-Q201 HydrophobicContact CG-CB 4.28Å; R135-Q201 HydrophobicContact CG-CG 3.73Å |
| 136 | I | 97.6 | Very high | 95.7 | Very high | 77 Ų | 77 | 33.6 Ų | 33.6 | 40% | 0.395 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -62.5 | -49 | 179.6 | -68.1 | 165.9 | 0 | 0 | 0 | 110.8 | P132 L133 C134 M138 A139 M140 L197 | P132-I136 WeakPolarHBondContact O-CG1 3.25Å; P132-I136 PolarHBondContact O-N 2.79Å; L133-I136 PolarHBondContact O-N 2.72Å; C134-I136 PolarHBondContact O-N 3.19Å; I136-M138 PolarHBondContact O-N 3.42Å; I136-A139 PolarHBondContact O-N 3.15Å; I136-M140 HydrophobicContact CG2-CG 4.39Å; I136-M140 HydrophobicContact CG2-SD 3.75Å; I136-M140 WeakPolarHBondContact O-CB 3.32Å; I136-M140 VanDerWaalsContact O-CG 3.3Å; I136-M140 WeakPolarHBondContact O-CG 3.5Å; I136-M140 PolarHBondContact O-N 3.22Å; I136-L197 HydrophobicContact CG1-CD2 4.42Å |
| 137 | V | 97.3 | Very high | 95.9 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.8 | -44.4 | -179 | 167.4 | 0 | 0 | 0 | 0 | 111.2 | V113 F116 R117 W127 L133 C134 M140 L141 | V113-V137 HydrophobicContact CB-CG1 4.43Å; V113-V137 HydrophobicContact CB-CG2 4.27Å; V113-V137 HydrophobicContact CG1-CG2 4.34Å; F116-V137 HydrophobicContact CB-CG1 4.47Å; F116-V137 HydrophobicContact CB-CG2 3.85Å; F116-V137 HydrophobicContact CD2-CG2 3.63Å; F116-V137 HydrophobicContact CE2-CG2 4.49Å; F116-V137 HydrophobicContact CG-CG2 3.97Å; R117-V137 HydrophobicContact CG-CG1 3.94Å; W127-V137 HydrophobicContact CH2-CB 4.38Å; W127-V137 HydrophobicContact CH2-CG2 4.11Å; L133-V137 HydrophobicContact CD1-CG2 4.45Å; L133-V137 HydrophobicContact CG-CG2 4.21Å; L133-V137 WeakPolarHBondContact O-CB 3.37Å; L133-V137 WeakPolarHBondContact O-CG2 3.22Å; L133-V137 PolarHBondContact O-N 3.08Å; C134-V137 PolarHBondContact O-N 3.46Å; V137-M140 PolarHBondContact O-N 2.7Å; V137-L141 WeakPolarHBondContact O-CB 3.49Å; V137-L141 PolarHBondContact O-N 2.76Å |
| 138 | M | 95.7 | Very high | 96 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -69.3 | -44.1 | 178.3 | -62.3 | -48 | -50.6 | 0 | 0 | 112.4 | C134 I136 M140 L141 Y142 H214 | C134-M138 VanDerWaalsContact O-CG 3.28Å; C134-M138 WeakPolarHBondContact O-CG 3.28Å; C134-M138 PolarHBondContact O-N 2.81Å; I136-M138 PolarHBondContact O-N 3.42Å; M138-M140 VanDerWaalsContact C-N 3.28Å; M138-M140 PolarHBondContact O-N 3.36Å; M138-L141 HydrophobicContact CE-CD2 3.88Å; M138-L141 PolarHBondContact O-N 3.42Å; M138-Y142 HydrophobicContact CE-CD2 4.25Å; M138-Y142 HydrophobicContact CE-CE2 3.62Å; M138-Y142 VanDerWaalsContact O-CD2 3.3Å; M138-Y142 WeakPolarHBondContact O-CD2 3.45Å; M138-Y142 PolarHBondContact O-N 2.86Å; M138-H214 HydrophobicContact CE-CB 3.95Å; M138-H214 WeakPolarHBondContact CE-CD2 3.47Å; M138-H214 HydrophobicContact CG-CB 3.73Å; M138-H214 HydrophobicContact SD-CB 3.88Å |
| 139 | A | 97.3 | Very high | 96 | Very high | 7 Ų | 7 | 26 Ų | 26 | 6% | 0.058 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.5 | -35.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | R135 I136 G143 M193 L196 L197 | R135-A139 WeakPolarHBondContact O-CB 3.35Å; R135-A139 PolarHBondContact O-N 2.78Å; I136-A139 PolarHBondContact O-N 3.15Å; A139-G143 WeakPolarHBondContact O-CA 3.33Å; A139-G143 PolarHBondContact O-N 2.91Å; A139-M193 HydrophobicContact CB-CB 4.31Å; A139-L196 HydrophobicContact CB-CB 4.26Å; A139-L197 HydrophobicContact CB-CD1 4.38Å; A139-L197 HydrophobicContact CB-CD2 3.44Å; A139-L197 VanDerWaalsContact CB-CD2 3.44Å; A139-L197 HydrophobicContact CB-CG 3.61Å |
| 140 | M | 97.1 | Very high | 96.1 | Very high | 56 Ų | 56 | 24.1 Ų | 24.1 | 28% | 0.276 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -75.5 | -33 | 174.7 | -70.7 | -178.2 | 70.5 | 0 | 0 | 112.8 | L109 V113 I136 V137 M138 N144 | L109-M140 HydrophobicContact CB-CE 3.88Å; L109-M140 HydrophobicContact CD2-CE 4.05Å; L109-M140 HydrophobicContact CG-CE 4.4Å; L109-M140 WeakPolarHBondContact O-CE 3.37Å; V113-M140 HydrophobicContact CG1-CB 3.9Å; V113-M140 HydrophobicContact CG1-CE 3.77Å; V113-M140 HydrophobicContact CG1-CG 4.32Å; V113-M140 HydrophobicContact CG1-SD 3.55Å; V113-M140 VanDerWaalsContact CG1-SD 3.55Å; V113-M140 HydrophobicContact CG2-CB 3.96Å; I136-M140 HydrophobicContact CG2-CG 4.39Å; I136-M140 HydrophobicContact CG2-SD 3.75Å; I136-M140 WeakPolarHBondContact O-CB 3.32Å; I136-M140 VanDerWaalsContact O-CG 3.3Å; I136-M140 WeakPolarHBondContact O-CG 3.5Å; I136-M140 PolarHBondContact O-N 3.22Å; V137-M140 PolarHBondContact O-N 2.7Å; M138-M140 VanDerWaalsContact C-N 3.28Å; M138-M140 PolarHBondContact O-N 3.36Å; M140-N144 WeakPolarHBondContact O-CB 3.43Å; M140-N144 PolarHBondContact O-N 3.12Å |
| 141 | L | 95.5 | Very high | 96.1 | Very high | 5 Ų | 5 | 22.7 Ų | 22.7 | 3% | 0.026 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66 | -54.6 | 176.4 | -174.2 | 64.9 | 0 | 0 | 0 | 111.7 | L110 V137 M138 G143 N144 M145 L310 T314 | L110-L141 HydrophobicContact CD1-CD1 3.6Å; V137-L141 WeakPolarHBondContact O-CB 3.49Å; V137-L141 PolarHBondContact O-N 2.76Å; M138-L141 HydrophobicContact CE-CD2 3.88Å; M138-L141 PolarHBondContact O-N 3.42Å; L141-G143 VanDerWaalsContact C-N 3.34Å; L141-N144 PolarHBondContact O-N 2.96Å; L141-M145 PolarHBondContact O-N 3.36Å; L141-L310 HydrophobicContact CD2-CD2 4.16Å; L141-T314 HydrophobicContact CD1-CG2 3.83Å |
| 142 | Y | 95.3 | Very high | 96 | Very high | 2 Ų | 2 | 21.6 Ų | 21.6 | 1% | 0.008 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -68.5 | -35.6 | 173.8 | -70.6 | -77.3 | 0 | 0 | 0 | 112 | R35 M138 N144 M145 Y146 M193 L196 H214 F230 L288 Y306 | R35-Y142 PolarHBondContact NH2-OH 3.25Å; M138-Y142 HydrophobicContact CE-CD2 4.25Å; M138-Y142 HydrophobicContact CE-CE2 3.62Å; M138-Y142 VanDerWaalsContact O-CD2 3.3Å; M138-Y142 WeakPolarHBondContact O-CD2 3.45Å; M138-Y142 PolarHBondContact O-N 2.86Å; Y142-N144 VanDerWaalsContact C-N 3.33Å; Y142-N144 PolarHBondContact O-N 3.4Å; Y142-M145 HydrophobicContact CD1-CE 3.95Å; Y142-M145 HydrophobicContact CE1-CE 4.49Å; Y142-M145 PolarHBondContact O-N 3.05Å; Y142-M145 VanDerWaalsContact O-N 3.13Å; Y142-Y146 HydrophobicContact CD1-CE2 4.15Å; Y142-Y146 WeakPolarHBondContact O-CD2 3.43Å; Y142-Y146 PolarHBondContact O-N 3.16Å; Y142-M193 VanDerWaalsContact CB-SD 3.59Å; Y142-L196 HydrophobicContact CD2-CD1 3.72Å; Y142-L196 HydrophobicContact CG-CD1 4.12Å; Y142-H214 AromaticContact CE2-CE1 3.76Å; Y142-H214 AromaticContact CE2-NE2 3.23Å; Y142-H214 WeakPolarHBondContact CE2-NE2 3.46Å; Y142-H214 AromaticContact CZ-NE2 3.45Å; Y142-H214 PolarHBondContact OH-NE2 3.15Å; Y142-F230 AromaticContact CD1-CE1 3.74Å; Y142-F230 HydrophobicContact CD1-CE1 3.74Å; Y142-F230 HydrophobicContact CD1-CZ 4.33Å; Y142-F230 HydrophobicContact CD2-CZ 4.4Å; Y142-F230 HydrophobicContact CE1-CD1 4.48Å; Y142-F230 AromaticContact CE1-CE1 3.5Å; Y142-F230 HydrophobicContact CE1-CE1 3.5Å; Y142-F230 VanDerWaalsContact CE1-CE1 3.5Å; Y142-F230 AromaticContact CE1-CZ 3.88Å; Y142-F230 HydrophobicContact CE1-CZ 3.88Å; Y142-F230 HydrophobicContact CE2-CE1 4.34Å; Y142-F230 AromaticContact CE2-CZ 3.98Å; Y142-F230 HydrophobicContact CE2-CZ 3.98Å; Y142-F230 HydrophobicContact CG-CE1 4.24Å; Y142-F230 AromaticContact CZ-CE1 3.82Å; Y142-F230 AromaticContact CZ-CZ 3.67Å; Y142-L288 HydrophobicContact CE1-CD1 4.35Å; Y142-L288 HydrophobicContact CE1-CD2 4.16Å; Y142-Y306 PolarHBondContact OH-OH 2.96Å |
| 143 | G | 96.3 | Very high | 96 | Very high | 10 Ų | 10 | 17.3 Ų | 17.3 | 10% | 0.103 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -58.3 | -44.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A139 L141 S147 M193 | A139-G143 WeakPolarHBondContact O-CA 3.33Å; A139-G143 PolarHBondContact O-N 2.91Å; L141-G143 VanDerWaalsContact C-N 3.34Å; G143-S147 WeakPolarHBondContact O-CB 3.37Å; G143-S147 PolarHBondContact O-N 2.87Å; G143-S147 PolarHBondContact O-OG 3.17Å; G143-M193 PolarHBondContact N-SD 2.83Å; G143-M193 VanDerWaalsContact N-SD 3.39Å |
| 144 | N | 95.9 | Very high | 95.9 | Very high | 13 Ų | 13 | 16.3 Ų | 16.3 | 7% | 0.07 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -59.2 | -53.2 | 170.3 | 170.4 | -81.9 | 0 | 0 | 0 | 111 | I106 L110 M140 L141 Y142 Y146 S147 S148 | I106-N144 HydrophobicContact CG2-CB 4.37Å; I106-N144 PolarHBondContact O-ND2 3.25Å; L110-N144 HydrophobicContact CB-CB 3.9Å; L110-N144 WeakPolarHBondContact CB-ND2 3.13Å; L110-N144 HydrophobicContact CD1-CB 4.38Å; M140-N144 WeakPolarHBondContact O-CB 3.43Å; M140-N144 PolarHBondContact O-N 3.12Å; L141-N144 PolarHBondContact O-N 2.96Å; Y142-N144 VanDerWaalsContact C-N 3.33Å; Y142-N144 PolarHBondContact O-N 3.4Å; N144-Y146 PolarHBondContact O-N 3.43Å; N144-S147 PolarHBondContact O-N 2.94Å; N144-S148 VanDerWaalsContact O-CB 3.29Å; N144-S148 WeakPolarHBondContact O-CB 3.42Å; N144-S148 PolarHBondContact O-N 3.21Å; N144-S148 PolarHBondContact O-OG 2.99Å |
| 145 | M | 94.3 | Very high | 95.7 | Very high | 6 Ų | 6 | 16.9 Ų | 16.9 | 3% | 0.03 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -52.1 | -51.8 | -175.3 | -173.7 | 177.3 | 73.1 | 0 | 0 | 112 | L141 Y142 V149 L281 N285 | L141-M145 PolarHBondContact O-N 3.36Å; Y142-M145 HydrophobicContact CD1-CE 3.95Å; Y142-M145 HydrophobicContact CE1-CE 4.49Å; Y142-M145 PolarHBondContact O-N 3.05Å; Y142-M145 VanDerWaalsContact O-N 3.13Å; M145-V149 WeakPolarHBondContact O-CB 3.38Å; M145-V149 WeakPolarHBondContact O-CG2 3.32Å; M145-V149 PolarHBondContact O-N 3.49Å; M145-V149 VanDerWaalsContact O-N 3.15Å; M145-L281 HydrophobicContact CG-CD2 4.1Å; M145-N285 WeakPolarHBondContact CE-OD1 3.26Å; M145-N285 PolarHBondContact SD-ND2 3.47Å |
| 146 | Y | 96 | Very high | 95.5 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -74.9 | -36 | -179.8 | -63.1 | -61.1 | 0 | 0 | 0 | 113.2 | Y142 N144 V149 W150 M193 L233 C237 F238 | Y142-Y146 HydrophobicContact CD1-CE2 4.15Å; Y142-Y146 WeakPolarHBondContact O-CD2 3.43Å; Y142-Y146 PolarHBondContact O-N 3.16Å; N144-Y146 PolarHBondContact O-N 3.43Å; Y146-V149 PolarHBondContact O-N 3.39Å; Y146-W150 PolarHBondContact O-N 3.43Å; Y146-M193 HydrophobicContact CD2-CE 3.72Å; Y146-M193 HydrophobicContact CE2-CE 4.25Å; Y146-L233 HydrophobicContact CD2-CD1 4.45Å; Y146-L233 HydrophobicContact CE1-CB 4.16Å; Y146-L233 HydrophobicContact CE2-CB 4.02Å; Y146-L233 HydrophobicContact CE2-CD1 3.76Å; Y146-L233 HydrophobicContact CE2-CD2 4.48Å; Y146-L233 HydrophobicContact CE2-CG 4.33Å; Y146-C237 HydrophobicContact CD1-CB 3.46Å; Y146-C237 VanDerWaalsContact CD1-CB 3.46Å; Y146-C237 HydrophobicContact CE1-CB 4.13Å; Y146-C237 HydrophobicContact CG-CB 3.85Å; Y146-F238 HydrophobicContact CE1-CB 4.24Å |
| 147 | S | 96.8 | Very high | 95.3 | Very high | 13 Ų | 13 | 11.7 Ų | 11.7 | 9% | 0.091 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -67.7 | -37.9 | 177.4 | -59 | 0 | 0 | 0 | 0 | 112.7 | G143 N144 S151 M189 | G143-S147 WeakPolarHBondContact O-CB 3.37Å; G143-S147 PolarHBondContact O-N 2.87Å; G143-S147 PolarHBondContact O-OG 3.17Å; N144-S147 PolarHBondContact O-N 2.94Å; S147-S151 VanDerWaalsContact O-CB 3.22Å; S147-S151 WeakPolarHBondContact O-CB 3.41Å; S147-S151 PolarHBondContact O-N 2.89Å; S147-S151 PolarHBondContact O-OG 2.89Å; S147-M189 WeakPolarHBondContact OG-CB 3.15Å; S147-M189 VanDerWaalsContact OG-CG 3.3Å; S147-M189 WeakPolarHBondContact OG-CG 3.28Å |
| 148 | S | 94.8 | Very high | 95 | Very high | 2 Ų | 2 | 11.7 Ų | 11.7 | 1% | 0.014 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -69.4 | -42.6 | 175.7 | -74.4 | 0 | 0 | 0 | 0 | 110.9 | I106 D107 N144 W150 S151 L152 | I106-S148 VanDerWaalsContact CG2-OG 3.25Å; I106-S148 WeakPolarHBondContact CG2-OG 3.36Å; D107-S148 PolarHBondContact OD1-OG 3.11Å; N144-S148 VanDerWaalsContact O-CB 3.29Å; N144-S148 WeakPolarHBondContact O-CB 3.42Å; N144-S148 PolarHBondContact O-N 3.21Å; N144-S148 PolarHBondContact O-OG 2.99Å; S148-W150 PolarHBondContact O-N 2.89Å; S148-S151 PolarHBondContact O-N 3.48Å; S148-L152 WeakPolarHBondContact O-CB 3.38Å; S148-L152 VanDerWaalsContact O-CG 3.26Å; S148-L152 WeakPolarHBondContact O-CG 3.35Å; S148-L152 PolarHBondContact O-N 3.14Å |
| 149 | V | 94.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -57.5 | -48.4 | 173.5 | 163.7 | 0 | 0 | 0 | 0 | 112 | M145 Y146 L152 A153 C237 F238 P241 F277 L281 | M145-V149 WeakPolarHBondContact O-CB 3.38Å; M145-V149 WeakPolarHBondContact O-CG2 3.32Å; M145-V149 PolarHBondContact O-N 3.49Å; M145-V149 VanDerWaalsContact O-N 3.15Å; Y146-V149 PolarHBondContact O-N 3.39Å; V149-L152 PolarHBondContact O-N 3.48Å; V149-A153 PolarHBondContact O-N 3.28Å; V149-C237 WeakPolarHBondContact CG1-O 3.3Å; V149-F238 HydrophobicContact CG2-CD2 4.44Å; V149-P241 HydrophobicContact CG1-CB 3.66Å; V149-P241 HydrophobicContact CG1-CG 3.4Å; V149-P241 VanDerWaalsContact CG1-CG 3.4Å; V149-F277 HydrophobicContact CG1-CE2 4.42Å; V149-F277 HydrophobicContact CG1-CZ 4.15Å; V149-F277 HydrophobicContact CG2-CE2 4.03Å; V149-F277 HydrophobicContact CG2-CZ 4.34Å; V149-L281 HydrophobicContact CG2-CD1 3.96Å; V149-L281 HydrophobicContact CG2-CD2 4.27Å |
| 150 | W | 96.4 | Very high | 94.5 | Very high | 43 Ų | 43 | 16.3 Ų | 16.3 | 16% | 0.163 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -65.6 | -39 | 175.4 | -89 | 106.4 | 0 | 0 | 0 | 113.3 | Y146 S148 A153 F154 M189 T236 L240 P241 I244 | Y146-W150 PolarHBondContact O-N 3.43Å; S148-W150 PolarHBondContact O-N 2.89Å; W150-A153 WeakPolarHBondContact O-CB 3.3Å; W150-A153 PolarHBondContact O-N 3.31Å; W150-F154 AromaticContact CE3-CE1 3.73Å; W150-F154 HydrophobicContact CE3-CE1 3.73Å; W150-F154 HydrophobicContact CE3-CE2 4.43Å; W150-F154 AromaticContact CE3-CZ 3.67Å; W150-F154 HydrophobicContact CE3-CZ 3.67Å; W150-F154 AromaticContact CZ3-CE1 3.94Å; W150-F154 HydrophobicContact CZ3-CE1 3.94Å; W150-F154 HydrophobicContact CZ3-CZ 4.14Å; W150-F154 WeakPolarHBondContact O-CD2 3.19Å; W150-F154 WeakPolarHBondContact O-CG 3.27Å; W150-F154 PolarHBondContact O-N 3.3Å; W150-M189 HydrophobicContact CG-CE 4.02Å; W150-M189 HydrophobicContact CG-SD 4.49Å; W150-T236 WeakPolarHBondContact CZ2-O 3Å; W150-L240 HydrophobicContact CH2-CD2 3.75Å; W150-L240 HydrophobicContact CH2-CG 4.07Å; W150-L240 HydrophobicContact CZ2-CD2 4.03Å; W150-L240 HydrophobicContact CZ2-CG 4.41Å; W150-P241 HydrophobicContact CD2-CB 4.16Å; W150-P241 HydrophobicContact CD2-CG 4.18Å; W150-P241 HydrophobicContact CE3-CB 4.28Å; W150-P241 HydrophobicContact CG-CG 4.44Å; W150-P241 HydrophobicContact CZ2-CG 4.32Å; W150-I244 HydrophobicContact CZ3-CD1 4.42Å |
| 151 | S | 95.4 | Very high | 94.2 | Very high | 2 Ų | 2 | 14.4 Ų | 14.4 | 1% | 0.014 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -64.9 | -39.8 | 176.7 | -64.2 | 0 | 0 | 0 | 0 | 111.9 | N102 I106 S147 S148 F154 V155 | N102-S151 PolarHBondContact ND2-OG 2.86Å; I106-S151 VanDerWaalsContact CD1-OG 3.25Å; I106-S151 WeakPolarHBondContact CD1-OG 3.43Å; S147-S151 VanDerWaalsContact O-CB 3.22Å; S147-S151 WeakPolarHBondContact O-CB 3.41Å; S147-S151 PolarHBondContact O-N 2.89Å; S147-S151 PolarHBondContact O-OG 2.89Å; S148-S151 PolarHBondContact O-N 3.48Å; S151-F154 PolarHBondContact O-N 2.93Å; S151-V155 WeakPolarHBondContact O-CG2 3.4Å; S151-V155 PolarHBondContact O-N 3.24Å |
| 152 | L | 93.1 | Very high | 93.9 | Very high | 15 Ų | 15 | 15.6 Ų | 15.6 | 8% | 0.079 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -63.4 | -41.9 | 173 | -74.6 | 168.6 | 0 | 0 | 0 | 111.4 | L103 S148 V149 F154 V155 A156 F277 | L103-L152 HydrophobicContact CD2-CD2 3.7Å; L103-L152 HydrophobicContact CD2-CG 4.14Å; S148-L152 WeakPolarHBondContact O-CB 3.38Å; S148-L152 VanDerWaalsContact O-CG 3.26Å; S148-L152 WeakPolarHBondContact O-CG 3.35Å; S148-L152 PolarHBondContact O-N 3.14Å; V149-L152 PolarHBondContact O-N 3.48Å; L152-F154 PolarHBondContact O-N 3.49Å; L152-V155 PolarHBondContact O-N 3.11Å; L152-A156 WeakPolarHBondContact O-CB 3.36Å; L152-A156 PolarHBondContact O-N 3.44Å; L152-F277 HydrophobicContact CD1-CD2 3.94Å; L152-F277 HydrophobicContact CD1-CE2 4.04Å |
| 153 | A | 95.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -59.8 | -44.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | V149 W150 A156 V157 P241 I244 V245 | V149-A153 PolarHBondContact O-N 3.28Å; W150-A153 WeakPolarHBondContact O-CB 3.3Å; W150-A153 PolarHBondContact O-N 3.31Å; A153-A156 PolarHBondContact O-N 3.35Å; A153-V157 WeakPolarHBondContact O-CG2 3.36Å; A153-V157 PolarHBondContact O-N 2.94Å; A153-P241 HydrophobicContact CB-CB 3.76Å; A153-I244 HydrophobicContact CB-CB 4.38Å; A153-I244 HydrophobicContact CB-CG2 4.1Å; A153-V245 HydrophobicContact CB-CG2 3.89Å |
| 154 | F | 95.4 | Very high | 93 | Very high | 26 Ų | 26 | 19.5 Ų | 19.5 | 11% | 0.114 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -66 | -37.7 | 176.1 | -64.8 | -24.9 | 0 | 0 | 0 | 113.2 | L99 W150 S151 L152 D158 L181 V185 | L99-F154 HydrophobicContact CD1-CB 4.48Å; L99-F154 HydrophobicContact CD2-CB 4.32Å; W150-F154 AromaticContact CE3-CE1 3.73Å; W150-F154 HydrophobicContact CE3-CE1 3.73Å; W150-F154 HydrophobicContact CE3-CE2 4.43Å; W150-F154 AromaticContact CE3-CZ 3.67Å; W150-F154 HydrophobicContact CE3-CZ 3.67Å; W150-F154 AromaticContact CZ3-CE1 3.94Å; W150-F154 HydrophobicContact CZ3-CE1 3.94Å; W150-F154 HydrophobicContact CZ3-CZ 4.14Å; W150-F154 WeakPolarHBondContact O-CD2 3.19Å; W150-F154 WeakPolarHBondContact O-CG 3.27Å; W150-F154 PolarHBondContact O-N 3.3Å; S151-F154 PolarHBondContact O-N 2.93Å; L152-F154 PolarHBondContact O-N 3.49Å; F154-D158 PolarHBondContact O-N 2.89Å; F154-L181 HydrophobicContact CB-CD1 3.94Å; F154-L181 HydrophobicContact CD1-CD1 4Å; F154-L181 HydrophobicContact CD1-CD2 4.06Å; F154-L181 HydrophobicContact CD1-CG 4.46Å; F154-L181 HydrophobicContact CD2-CB 3.8Å; F154-L181 HydrophobicContact CD2-CD1 4.41Å; F154-L181 HydrophobicContact CD2-CG 4.48Å; F154-L181 HydrophobicContact CE1-CD2 3.89Å; F154-L181 HydrophobicContact CE2-CB 4.04Å; F154-L181 HydrophobicContact CE2-CD2 4.35Å; F154-L181 WeakPolarHBondContact CE2-O 3.42Å; F154-L181 HydrophobicContact CG-CB 4.11Å; F154-L181 HydrophobicContact CG-CD1 3.87Å; F154-L181 HydrophobicContact CG-CD2 4.39Å; F154-L181 HydrophobicContact CG-CG 4.36Å; F154-L181 HydrophobicContact CZ-CD2 4.04Å; F154-V185 HydrophobicContact CD2-CG2 4.01Å; F154-V185 HydrophobicContact CE2-CG2 3.66Å |
| 155 | V | 92.8 | Very high | 92.6 | Very high | 11 Ų | 11 | 24.5 Ų | 24.5 | 7% | 0.067 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.6 | -42.8 | 171.4 | 170.6 | 0 | 0 | 0 | 0 | 110.8 | L99 L100 S151 L152 V157 D158 R159 | L99-V155 HydrophobicContact CB-CG2 3.78Å; L100-V155 HydrophobicContact CD2-CG1 4.31Å; L100-V155 HydrophobicContact CD2-CG2 4.17Å; S151-V155 WeakPolarHBondContact O-CG2 3.4Å; S151-V155 PolarHBondContact O-N 3.24Å; L152-V155 PolarHBondContact O-N 3.11Å; V155-V157 PolarHBondContact O-N 3.08Å; V155-D158 PolarHBondContact O-N 3.38Å; V155-R159 HydrophobicContact CG1-CG 4.38Å; V155-R159 VanDerWaalsContact O-CG 3.24Å; V155-R159 WeakPolarHBondContact O-CG 3.3Å; V155-R159 PolarHBondContact O-N 2.92Å |
| 156 | A | 92.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.4 | -41.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | L152 A153 R159 Y160 V245 C248 | L152-A156 WeakPolarHBondContact O-CB 3.36Å; L152-A156 PolarHBondContact O-N 3.44Å; A153-A156 PolarHBondContact O-N 3.35Å; A156-R159 PolarHBondContact O-N 2.95Å; A156-Y160 VanDerWaalsContact O-CB 3.29Å; A156-Y160 WeakPolarHBondContact O-CB 3.19Å; A156-Y160 PolarHBondContact O-N 3.3Å; A156-V245 HydrophobicContact CB-CG2 4.41Å; A156-C248 HydrophobicContact CB-CB 3.88Å |
| 157 | V | 94.1 | Very high | 90.8 | Very high | 33 Ų | 33 | 37.5 Ų | 37.5 | 20% | 0.2 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65 | -45.1 | 174 | 174.5 | 0 | 0 | 0 | 0 | 111.9 | A153 V155 R159 Y160 V161 W177 I244 | A153-V157 WeakPolarHBondContact O-CG2 3.36Å; A153-V157 PolarHBondContact O-N 2.94Å; V155-V157 PolarHBondContact O-N 3.08Å; V157-R159 VanDerWaalsContact C-N 3.28Å; V157-R159 PolarHBondContact O-N 3.01Å; V157-Y160 PolarHBondContact O-N 3.31Å; V157-V161 HydrophobicContact CG1-CG2 4.47Å; V157-V161 WeakPolarHBondContact O-CG2 3.36Å; V157-V161 PolarHBondContact O-N 3.45Å; V157-W177 HydrophobicContact CG1-CH2 3.84Å; V157-W177 HydrophobicContact CG1-CZ3 4.48Å; V157-I244 HydrophobicContact CG2-CG2 3.57Å |
| 158 | D | 91.4 | Very high | 89.6 | Confident | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.011 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59 | -39.7 | 175.5 | 177.5 | 75.3 | 0 | 0 | 0 | 111.8 | S96 L99 F154 V155 A162 R173 | S96-D158 VanDerWaalsContact CB-OD2 3.3Å; S96-D158 WeakPolarHBondContact CB-OD2 3.29Å; S96-D158 PolarHBondContact OG-OD2 2.92Å; L99-D158 HydrophobicContact CD1-CB 3.86Å; F154-D158 PolarHBondContact O-N 2.89Å; V155-D158 PolarHBondContact O-N 3.38Å; D158-A162 VanDerWaalsContact O-CB 3.31Å; D158-A162 WeakPolarHBondContact O-CB 3.25Å; D158-A162 PolarHBondContact O-N 3.26Å; D158-A162 VanDerWaalsContact O-N 3.07Å; D158-R173 PolarHBondContact O-NE 2.84Å; D158-R173 IonicContact OD1-CZ 3.65Å; D158-R173 IonicContact OD1-NE 2.75Å; D158-R173 PolarHBondContact OD1-NE 3.31Å; D158-R173 IonicContact OD1-NH2 3.42Å; D158-R173 PolarHBondContact OD1-NH2 3.42Å; D158-R173 IonicContact OD2-CZ 3.5Å; D158-R173 IonicContact OD2-NE 3.63Å; D158-R173 IonicContact OD2-NH2 3.37Å; D158-R173 PolarHBondContact OD2-NH2 3.44Å |
| 159 | R | 89.4 | Confident | 88.7 | Confident | 67 Ų | 67 | 38.7 Ų | 38.7 | 25% | 0.253 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -69.9 | -41.1 | 176 | -67.4 | -64.9 | -177.4 | 177.8 | 0.4 | 112.6 | V155 A156 V157 A162 V163 I252 V327 | V155-R159 HydrophobicContact CG1-CG 4.38Å; V155-R159 VanDerWaalsContact O-CG 3.24Å; V155-R159 WeakPolarHBondContact O-CG 3.3Å; V155-R159 PolarHBondContact O-N 2.92Å; A156-R159 PolarHBondContact O-N 2.95Å; V157-R159 VanDerWaalsContact C-N 3.28Å; V157-R159 PolarHBondContact O-N 3.01Å; R159-A162 WeakPolarHBondContact O-CB 3.49Å; R159-A162 PolarHBondContact O-N 2.92Å; R159-V163 WeakPolarHBondContact O-CG2 3.2Å; R159-V163 PolarHBondContact O-N 3.4Å; R159-I252 HydrophobicContact CB-CD1 3.85Å; R159-V327 VanDerWaalsContact CZ-CG1 3.47Å |
| 160 | Y | 92.3 | Very high | 87.6 | Confident | 36 Ų | 36 | 48 Ų | 48 | 14% | 0.141 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.7 | -50.6 | 177.4 | 166.8 | -107 | 0 | 0 | 0 | 110.8 | A156 V157 A162 V163 V164 Y165 F247 C248 A251 | A156-Y160 VanDerWaalsContact O-CB 3.29Å; A156-Y160 WeakPolarHBondContact O-CB 3.19Å; A156-Y160 PolarHBondContact O-N 3.3Å; V157-Y160 PolarHBondContact O-N 3.31Å; Y160-A162 VanDerWaalsContact C-N 3.26Å; Y160-A162 PolarHBondContact O-N 3.35Å; Y160-V163 PolarHBondContact O-N 3.01Å; Y160-V164 HydrophobicContact CD2-CB 4.14Å; Y160-V164 HydrophobicContact CD2-CG2 3.6Å; Y160-V164 HydrophobicContact CE2-CB 3.93Å; Y160-V164 HydrophobicContact CE2-CG1 4.04Å; Y160-V164 HydrophobicContact CE2-CG2 3.65Å; Y160-V164 WeakPolarHBondContact O-CB 3.43Å; Y160-V164 PolarHBondContact O-N 2.97Å; Y160-Y165 HydrophobicContact CE1-CD2 4.27Å; Y160-Y165 AromaticContact CE1-CE2 3.78Å; Y160-Y165 HydrophobicContact CE1-CE2 3.78Å; Y160-Y165 AromaticContact CZ-CE2 3.7Å; Y160-Y165 WeakPolarHBondContact OH-CE2 3.41Å; Y160-F247 HydrophobicContact CE1-CE1 4.35Å; Y160-F247 HydrophobicContact CE2-CE1 4.35Å; Y160-F247 AromaticContact CZ-CE1 4Å; Y160-C248 HydrophobicContact CG-CB 4.45Å; Y160-A251 HydrophobicContact CD2-CB 3.8Å; Y160-A251 HydrophobicContact CE2-CB 3.52Å |
| 161 | V | 91.4 | Very high | 86.3 | Confident | 17 Ų | 17 | 50.7 Ų | 50.7 | 10% | 0.103 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.5 | -36.8 | 175.1 | 175.4 | 0 | 0 | 0 | 0 | 111.6 | V157 V163 Y165 A169 L172 R173 | V157-V161 HydrophobicContact CG1-CG2 4.47Å; V157-V161 WeakPolarHBondContact O-CG2 3.36Å; V157-V161 PolarHBondContact O-N 3.45Å; V161-V163 PolarHBondContact O-N 3.43Å; V161-Y165 CarbonylContact O-C 3.43Å; V161-Y165 PolarHBondContact O-N 3.5Å; V161-A169 HydrophobicContact CG1-CB 4.26Å; V161-L172 HydrophobicContact CG1-CB 3.94Å; V161-L172 HydrophobicContact CG1-CD1 3.91Å; V161-R173 HydrophobicContact CB-CG 4.42Å; V161-R173 HydrophobicContact CG1-CG 3.9Å |
| 162 | A | 87.8 | Confident | 85.5 | Confident | 29 Ų | 29 | 55.2 Ų | 55.2 | 24% | 0.24 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.6 | -36.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | D158 R159 Y160 R173 | D158-A162 VanDerWaalsContact O-CB 3.31Å; D158-A162 WeakPolarHBondContact O-CB 3.25Å; D158-A162 PolarHBondContact O-N 3.26Å; D158-A162 VanDerWaalsContact O-N 3.07Å; R159-A162 WeakPolarHBondContact O-CB 3.49Å; R159-A162 PolarHBondContact O-N 2.92Å; Y160-A162 VanDerWaalsContact C-N 3.26Å; Y160-A162 PolarHBondContact O-N 3.35Å; A162-R173 VanDerWaalsContact CB-CZ 3.4Å |
| 163 | V | 86.3 | Confident | 85.2 | Confident | 53 Ų | 53 | 57.3 Ų | 57.3 | 32% | 0.321 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -95 | -44.4 | -172.9 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | R159 Y160 V161 T255 | R159-V163 WeakPolarHBondContact O-CG2 3.2Å; R159-V163 PolarHBondContact O-N 3.4Å; Y160-V163 PolarHBondContact O-N 3.01Å; V161-V163 PolarHBondContact O-N 3.43Å; V163-T255 HydrophobicContact CG1-CG2 3.84Å |
| 164 | V | 87.7 | Confident | 84.8 | Confident | 41 Ų | 41 | 59.5 Ų | 59.5 | 25% | 0.248 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -88.4 | -27.8 | -171.7 | -175.9 | 0 | 0 | 0 | 0 | 112.4 | Y160 P166 | Y160-V164 HydrophobicContact CD2-CB 4.14Å; Y160-V164 HydrophobicContact CD2-CG2 3.6Å; Y160-V164 HydrophobicContact CE2-CB 3.93Å; Y160-V164 HydrophobicContact CE2-CG1 4.04Å; Y160-V164 HydrophobicContact CE2-CG2 3.65Å; Y160-V164 WeakPolarHBondContact O-CB 3.43Å; Y160-V164 PolarHBondContact O-N 2.97Å; V164-P166 VanDerWaalsContact C-CD 3.46Å; V164-P166 WeakPolarHBondContact O-CD 3.38Å |
| 165 | Y | 86.1 | Confident | 84.5 | Confident | 119 Ų | 119 | 65.7 Ų | 65.7 | 47% | 0.467 | 33% | 0.334 | S | S | . | . | trans | -126.1 | 60.9 | -177.2 | -62.4 | -68.4 | 0 | 0 | 0 | 113.1 | Y160 V161 F167 G168 A169 | Y160-Y165 HydrophobicContact CE1-CD2 4.27Å; Y160-Y165 AromaticContact CE1-CE2 3.78Å; Y160-Y165 HydrophobicContact CE1-CE2 3.78Å; Y160-Y165 AromaticContact CZ-CE2 3.7Å; Y160-Y165 WeakPolarHBondContact OH-CE2 3.41Å; V161-Y165 CarbonylContact O-C 3.43Å; V161-Y165 PolarHBondContact O-N 3.5Å; Y165-F167 VanDerWaalsContact C-N 3.28Å; Y165-F167 PolarHBondContact O-N 2.89Å; Y165-F167 VanDerWaalsContact O-N 3.14Å; Y165-G168 PolarHBondContact O-N 2.6Å; Y165-G168 VanDerWaalsContact O-N 3.1Å; Y165-A169 WeakPolarHBondContact O-CB 3.48Å; Y165-A169 PolarHBondContact O-N 3.04Å | ||
| 166 | P | 76.6 | Confident | 84.3 | Confident | 78 Ų | 78 | 75.9 Ų | 75.9 | 51% | 0.506 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -34 | -171.1 | 22.5 | -34.2 | 0 | 0 | 0 | 114.4 | V164 | V164-P166 VanDerWaalsContact C-CD 3.46Å; V164-P166 WeakPolarHBondContact O-CD 3.38Å |
| 167 | F | 76.1 | Confident | 84.2 | Confident | 201 Ų | 201 | 81 Ų | 81 | 88% | 0.882 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -40.9 | 177.5 | -59.5 | -72.9 | 0 | 0 | 0 | 112.7 | Y165 A169 | Y165-F167 VanDerWaalsContact C-N 3.28Å; Y165-F167 PolarHBondContact O-N 2.89Å; Y165-F167 VanDerWaalsContact O-N 3.14Å; F167-A169 VanDerWaalsContact C-N 3.33Å |
| 168 | G | 71.5 | Confident | 84.1 | Confident | 29 Ų | 29 | 79.4 Ų | 79.4 | 30% | 0.299 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -23.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y165 K170 S171 L172 | Y165-G168 PolarHBondContact O-N 2.6Å; Y165-G168 VanDerWaalsContact O-N 3.1Å; G168-K170 PolarHBondContact O-N 3.23Å; G168-K170 VanDerWaalsContact O-N 3.14Å; G168-S171 PolarHBondContact O-N 3.36Å; G168-L172 PolarHBondContact O-N 3.19Å |
| 169 | A | 75.9 | Confident | 84.2 | Confident | 11 Ų | 11 | 87.9 Ų | 87.9 | 9% | 0.091 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -55.9 | -32.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | V161 Y165 F167 S171 R173 | V161-A169 HydrophobicContact CG1-CB 4.26Å; Y165-A169 WeakPolarHBondContact O-CB 3.48Å; Y165-A169 PolarHBondContact O-N 3.04Å; F167-A169 VanDerWaalsContact C-N 3.33Å; A169-S171 VanDerWaalsContact C-N 3.33Å; A169-S171 PolarHBondContact O-N 2.86Å; A169-R173 WeakPolarHBondContact O-CB 3.17Å; A169-R173 WeakPolarHBondContact O-CG 3.46Å; A169-R173 PolarHBondContact O-N 2.87Å; A169-R173 VanDerWaalsContact O-N 3.09Å |
| 170 | K | 71.1 | Confident | 84.4 | Confident | 196 Ų | 196 | 86.4 Ų | 86.4 | 85% | 0.852 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -66.9 | -31.3 | 177.6 | -72.7 | -177.3 | -179.9 | 175.6 | 0 | 113.3 | G168 | G168-K170 PolarHBondContact O-N 3.23Å; G168-K170 VanDerWaalsContact O-N 3.14Å |
| 171 | S | 70.9 | Confident | 84.5 | Confident | 99 Ų | 99 | 85.9 Ų | 85.9 | 69% | 0.692 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -87.1 | -49.7 | 179.1 | -176.1 | 0 | 0 | 0 | 0 | 111.2 | G168 A169 R173 | G168-S171 PolarHBondContact O-N 3.36Å; A169-S171 VanDerWaalsContact C-N 3.33Å; A169-S171 PolarHBondContact O-N 2.86Å; S171-R173 PolarHBondContact O-N 3.46Å |
| 172 | L | 77.5 | Confident | 84.7 | Confident | 97 Ų | 97 | 86.1 Ų | 86.1 | 51% | 0.508 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -68.5 | -35.9 | -174.7 | -65.7 | 171.9 | 0 | 0 | 0 | 112.9 | V161 G168 S174 | V161-L172 HydrophobicContact CG1-CB 3.94Å; V161-L172 HydrophobicContact CG1-CD1 3.91Å; G168-L172 PolarHBondContact O-N 3.19Å; L172-S174 VanDerWaalsContact C-N 3.32Å; L172-S174 PolarHBondContact O-N 3.44Å; L172-S174 VanDerWaalsContact O-N 3.15Å |
| 173 | R | 86.7 | Confident | 85.2 | Confident | 59 Ų | 59 | 87.2 Ų | 87.2 | 22% | 0.223 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -93 | 63.3 | -178 | -53.7 | 167.3 | 68 | -159.8 | 13.1 | 110.3 | P95 S96 D158 V161 A162 A169 S171 | P95-R173 WeakPolarHBondContact CG-O 3.4Å; S96-R173 PolarHBondContact OG-NH2 2.9Å; D158-R173 PolarHBondContact O-NE 2.84Å; D158-R173 IonicContact OD1-CZ 3.65Å; D158-R173 IonicContact OD1-NE 2.75Å; D158-R173 PolarHBondContact OD1-NE 3.31Å; D158-R173 IonicContact OD1-NH2 3.42Å; D158-R173 PolarHBondContact OD1-NH2 3.42Å; D158-R173 IonicContact OD2-CZ 3.5Å; D158-R173 IonicContact OD2-NE 3.63Å; D158-R173 IonicContact OD2-NH2 3.37Å; D158-R173 PolarHBondContact OD2-NH2 3.44Å; V161-R173 HydrophobicContact CB-CG 4.42Å; V161-R173 HydrophobicContact CG1-CG 3.9Å; A162-R173 VanDerWaalsContact CB-CZ 3.4Å; A169-R173 WeakPolarHBondContact O-CB 3.17Å; A169-R173 WeakPolarHBondContact O-CG 3.46Å; A169-R173 PolarHBondContact O-N 2.87Å; A169-R173 VanDerWaalsContact O-N 3.09Å; S171-R173 PolarHBondContact O-N 3.46Å |
| 174 | S | 87.7 | Confident | 85.6 | Confident | 45 Ų | 45 | 87.9 Ų | 87.9 | 32% | 0.315 | 43% | 0.432 | S | S | . | . | trans | -86.1 | 152.4 | 175.5 | 82.1 | 0 | 0 | 0 | 0 | 111.8 | L172 R176 W177 S178 | L172-S174 VanDerWaalsContact C-N 3.32Å; L172-S174 PolarHBondContact O-N 3.44Å; L172-S174 VanDerWaalsContact O-N 3.15Å; S174-R176 PolarHBondContact O-N 3.02Å; S174-W177 WeakPolarHBondContact O-CB 3.29Å; S174-W177 PolarHBondContact O-N 3.27Å; S174-W177 VanDerWaalsContact O-N 3.09Å; S174-W177 WeakPolarHBondContact OG-CB 3.23Å; S174-W177 PolarHBondContact OG-N 2.94Å; S174-W177 VanDerWaalsContact OG-N 3.15Å; S174-S178 PolarHBondContact O-N 3.29Å | ||
| 175 | R | 87.6 | Confident | 86.1 | Confident | 156 Ų | 156 | 86 Ų | 86 | 59% | 0.589 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -59.8 | -31.5 | 174.4 | -73.8 | -177.2 | 176.3 | 171.9 | 0.2 | 112.6 | R93 P95 R179 | R93-R175 PolarHBondContact O-NE 3.05Å; R93-R175 PolarHBondContact O-NH2 3.15Å; P95-R175 HydrophobicContact CG-CG 4.28Å; R175-R179 WeakPolarHBondContact O-CB 3.42Å; R175-R179 WeakPolarHBondContact O-CG 3.23Å; R175-R179 PolarHBondContact O-N 3.3Å; R175-R179 VanDerWaalsContact O-N 3.11Å |
| 176 | R | 89.9 | Confident | 86.6 | Confident | 225 Ų | 225 | 85.7 Ų | 85.7 | 85% | 0.849 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -65.3 | -42.1 | 175.7 | -66.4 | -178.1 | -177.9 | 133 | -2.1 | 110.5 | S174 R179 G180 | S174-R176 PolarHBondContact O-N 3.02Å; R176-R179 PolarHBondContact O-N 2.98Å; R176-G180 PolarHBondContact O-N 3.34Å |
| 177 | W | 90.1 | Very high | 87.6 | Confident | 107 Ų | 107 | 86.8 Ų | 86.8 | 41% | 0.405 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.2 | -50.8 | 179.8 | -159.9 | 74.9 | 0 | 0 | 0 | 112 | V157 S174 R179 G180 L181 | V157-W177 HydrophobicContact CG1-CH2 3.84Å; V157-W177 HydrophobicContact CG1-CZ3 4.48Å; S174-W177 WeakPolarHBondContact O-CB 3.29Å; S174-W177 PolarHBondContact O-N 3.27Å; S174-W177 VanDerWaalsContact O-N 3.09Å; S174-W177 WeakPolarHBondContact OG-CB 3.23Å; S174-W177 PolarHBondContact OG-N 2.94Å; S174-W177 VanDerWaalsContact OG-N 3.15Å; W177-R179 VanDerWaalsContact C-N 3.34Å; W177-R179 PolarHBondContact O-N 3.43Å; W177-G180 WeakPolarHBondContact O-CA 3.4Å; W177-G180 PolarHBondContact O-N 3.05Å; W177-G180 VanDerWaalsContact O-N 3.07Å; W177-L181 HydrophobicContact CD2-CD1 4.24Å; W177-L181 HydrophobicContact CD2-CG 4.45Å; W177-L181 HydrophobicContact CE3-CD1 3.72Å; W177-L181 HydrophobicContact CE3-CG 4.38Å; W177-L181 HydrophobicContact CH2-CD1 3.67Å; W177-L181 HydrophobicContact CZ2-CD1 4.17Å; W177-L181 HydrophobicContact CZ2-CD2 4.47Å; W177-L181 HydrophobicContact CZ3-CD1 3.43Å; W177-L181 VanDerWaalsContact CZ3-CD1 3.43Å; W177-L181 HydrophobicContact CZ3-CG 4.44Å; W177-L181 PolarHBondContact O-N 2.85Å |
| 178 | S | 92 | Very high | 88.5 | Confident | 0 Ų | 0 | 80.2 Ų | 80.2 | 0% | 0 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62.2 | -37.5 | 176.3 | -57.1 | 0 | 0 | 0 | 0 | 113.2 | P95 S174 G180 L181 T182 | P95-S178 WeakPolarHBondContact CA-OG 3.25Å; P95-S178 WeakPolarHBondContact CB-OG 3.48Å; P95-S178 VanDerWaalsContact O-CB 3.31Å; P95-S178 WeakPolarHBondContact O-CB 3.36Å; P95-S178 PolarHBondContact O-OG 2.96Å; S174-S178 PolarHBondContact O-N 3.29Å; S178-G180 VanDerWaalsContact C-N 3.34Å; S178-L181 PolarHBondContact O-N 3.23Å; S178-T182 WeakPolarHBondContact O-CB 3.31Å; S178-T182 PolarHBondContact O-N 2.78Å; S178-T182 PolarHBondContact O-OG1 2.87Å |
| 179 | R | 92.8 | Very high | 89.7 | Confident | 181 Ų | 181 | 79.1 Ų | 79.1 | 68% | 0.683 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -64.1 | -38.2 | 172.2 | -78.9 | -176.3 | 65.5 | 176.5 | -0.1 | 112.5 | T98 R175 R176 W177 A183 | T98-R179 HydrophobicContact CG2-CG 4.33Å; R175-R179 WeakPolarHBondContact O-CB 3.42Å; R175-R179 WeakPolarHBondContact O-CG 3.23Å; R175-R179 PolarHBondContact O-N 3.3Å; R175-R179 VanDerWaalsContact O-N 3.11Å; R176-R179 PolarHBondContact O-N 2.98Å; W177-R179 VanDerWaalsContact C-N 3.34Å; W177-R179 PolarHBondContact O-N 3.43Å; R179-A183 WeakPolarHBondContact O-CB 3.39Å; R179-A183 PolarHBondContact O-N 3.2Å |
| 180 | G | 94.7 | Very high | 90.7 | Very high | 35 Ų | 35 | 81.8 Ų | 81.8 | 36% | 0.361 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.6 | -50.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | R176 W177 S178 T182 A183 T184 | R176-G180 PolarHBondContact O-N 3.34Å; W177-G180 WeakPolarHBondContact O-CA 3.4Å; W177-G180 PolarHBondContact O-N 3.05Å; W177-G180 VanDerWaalsContact O-N 3.07Å; S178-G180 VanDerWaalsContact C-N 3.34Å; G180-T182 PolarHBondContact O-N 3.48Å; G180-A183 PolarHBondContact O-N 3.36Å; G180-A183 VanDerWaalsContact O-N 3.15Å; G180-T184 PolarHBondContact O-N 2.79Å; G180-T184 PolarHBondContact O-OG1 2.87Å; G180-T184 VanDerWaalsContact O-OG1 3.09Å |
| 181 | L | 94.9 | Very high | 91.9 | Very high | 25 Ų | 25 | 75.4 Ų | 75.4 | 13% | 0.131 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -58 | -45.8 | 176.1 | -66 | -174.6 | 0 | 0 | 0 | 112.6 | L99 F154 W177 S178 T184 V185 | L99-L181 HydrophobicContact CD2-CB 4.13Å; L99-L181 HydrophobicContact CD2-CD1 4.45Å; F154-L181 HydrophobicContact CB-CD1 3.94Å; F154-L181 HydrophobicContact CD1-CD1 4Å; F154-L181 HydrophobicContact CD1-CD2 4.06Å; F154-L181 HydrophobicContact CD1-CG 4.46Å; F154-L181 HydrophobicContact CD2-CB 3.8Å; F154-L181 HydrophobicContact CD2-CD1 4.41Å; F154-L181 HydrophobicContact CD2-CG 4.48Å; F154-L181 HydrophobicContact CE1-CD2 3.89Å; F154-L181 HydrophobicContact CE2-CB 4.04Å; F154-L181 HydrophobicContact CE2-CD2 4.35Å; F154-L181 WeakPolarHBondContact CE2-O 3.42Å; F154-L181 HydrophobicContact CG-CB 4.11Å; F154-L181 HydrophobicContact CG-CD1 3.87Å; F154-L181 HydrophobicContact CG-CD2 4.39Å; F154-L181 HydrophobicContact CG-CG 4.36Å; F154-L181 HydrophobicContact CZ-CD2 4.04Å; W177-L181 HydrophobicContact CD2-CD1 4.24Å; W177-L181 HydrophobicContact CD2-CG 4.45Å; W177-L181 HydrophobicContact CE3-CD1 3.72Å; W177-L181 HydrophobicContact CE3-CG 4.38Å; W177-L181 HydrophobicContact CH2-CD1 3.67Å; W177-L181 HydrophobicContact CZ2-CD1 4.17Å; W177-L181 HydrophobicContact CZ2-CD2 4.47Å; W177-L181 HydrophobicContact CZ3-CD1 3.43Å; W177-L181 VanDerWaalsContact CZ3-CD1 3.43Å; W177-L181 HydrophobicContact CZ3-CG 4.44Å; W177-L181 PolarHBondContact O-N 2.85Å; S178-L181 PolarHBondContact O-N 3.23Å; L181-T184 WeakPolarHBondContact O-CB 3.04Å; L181-T184 PolarHBondContact O-N 3.16Å; L181-V185 PolarHBondContact O-N 3.2Å |
| 182 | T | 95.9 | Very high | 93.1 | Very high | 23 Ų | 23 | 71.8 Ų | 71.8 | 14% | 0.141 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -57 | -49.5 | 173 | -70.7 | 0 | 0 | 0 | 0 | 111.4 | N102 S178 G180 T184 V185 W186 | N102-T182 HydrophobicContact CB-CG2 4.29Å; N102-T182 WeakPolarHBondContact OD1-CG2 3.11Å; S178-T182 WeakPolarHBondContact O-CB 3.31Å; S178-T182 PolarHBondContact O-N 2.78Å; S178-T182 PolarHBondContact O-OG1 2.87Å; G180-T182 PolarHBondContact O-N 3.48Å; T182-T184 VanDerWaalsContact C-N 3.28Å; T182-T184 PolarHBondContact O-N 3.13Å; T182-V185 PolarHBondContact O-N 3.13Å; T182-V185 VanDerWaalsContact O-N 3.09Å; T182-W186 VanDerWaalsContact O-CD1 3.22Å; T182-W186 PolarHBondContact O-N 3.44Å |
| 183 | A | 96.6 | Very high | 94 | Very high | 51 Ų | 51 | 67.4 Ų | 67.4 | 42% | 0.421 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.1 | -37 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | R179 G180 V185 W186 V187 | R179-A183 WeakPolarHBondContact O-CB 3.39Å; R179-A183 PolarHBondContact O-N 3.2Å; G180-A183 PolarHBondContact O-N 3.36Å; G180-A183 VanDerWaalsContact O-N 3.15Å; A183-V185 VanDerWaalsContact C-N 3.33Å; A183-V185 PolarHBondContact O-N 3.27Å; A183-W186 PolarHBondContact O-N 3.49Å; A183-V187 WeakPolarHBondContact O-CG2 3.48Å; A183-V187 PolarHBondContact O-N 3.32Å |
| 184 | T | 96.1 | Very high | 94.5 | Very high | 67 Ų | 67 | 68.7 Ų | 68.7 | 41% | 0.411 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.3 | -42.8 | 173.4 | -55.7 | 0 | 0 | 0 | 0 | 111.8 | G180 L181 T182 V187 V188 | G180-T184 PolarHBondContact O-N 2.79Å; G180-T184 PolarHBondContact O-OG1 2.87Å; G180-T184 VanDerWaalsContact O-OG1 3.09Å; L181-T184 WeakPolarHBondContact O-CB 3.04Å; L181-T184 PolarHBondContact O-N 3.16Å; T182-T184 VanDerWaalsContact C-N 3.28Å; T182-T184 PolarHBondContact O-N 3.13Å; T184-V187 PolarHBondContact O-N 2.72Å; T184-V188 HydrophobicContact CG2-CG2 3.82Å; T184-V188 VanDerWaalsContact O-CB 3.31Å; T184-V188 WeakPolarHBondContact O-CB 3.36Å; T184-V188 VanDerWaalsContact O-CG2 3.31Å; T184-V188 WeakPolarHBondContact O-CG2 3.17Å; T184-V188 PolarHBondContact O-N 2.81Å |
| 185 | V | 97.1 | Very high | 94.8 | Very high | 3 Ų | 3 | 68.1 Ų | 68.1 | 2% | 0.018 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61 | -48.8 | 176.2 | -174.6 | 0 | 0 | 0 | 0 | 110.7 | I106 F154 L181 T182 A183 V187 M189 P190 | I106-V185 HydrophobicContact CD1-CG1 3.99Å; F154-V185 HydrophobicContact CD2-CG2 4.01Å; F154-V185 HydrophobicContact CE2-CG2 3.66Å; L181-V185 PolarHBondContact O-N 3.2Å; T182-V185 PolarHBondContact O-N 3.13Å; T182-V185 VanDerWaalsContact O-N 3.09Å; A183-V185 VanDerWaalsContact C-N 3.33Å; A183-V185 PolarHBondContact O-N 3.27Å; V185-V187 PolarHBondContact O-N 2.58Å; V185-M189 HydrophobicContact CG1-CB 4.48Å; V185-M189 HydrophobicContact CG1-CG 3.8Å; V185-M189 VanDerWaalsContact O-CB 3.31Å; V185-M189 WeakPolarHBondContact O-CB 3.38Å; V185-M189 WeakPolarHBondContact O-CG 3.15Å; V185-M189 PolarHBondContact O-N 3.32Å; V185-P190 WeakPolarHBondContact O-CD 3.49Å |
| 186 | W | 97.1 | Very high | 95 | Very high | 111 Ų | 111 | 60.7 Ų | 60.7 | 42% | 0.42 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -70.3 | -12.7 | -177.7 | -72.3 | 101.5 | 0 | 0 | 0 | 115.5 | N102 V105 I106 L109 T182 A183 P190 | N102-W186 PolarHBondContact OD1-NE1 3.35Å; V105-W186 HydrophobicContact CB-CZ2 4.4Å; V105-W186 HydrophobicContact CG1-CH2 3.85Å; V105-W186 HydrophobicContact CG1-CZ2 3.67Å; I106-W186 HydrophobicContact CG1-CZ2 4.29Å; L109-W186 HydrophobicContact CD1-CH2 3.66Å; L109-W186 HydrophobicContact CD1-CZ3 4.01Å; T182-W186 VanDerWaalsContact O-CD1 3.22Å; T182-W186 PolarHBondContact O-N 3.44Å; A183-W186 PolarHBondContact O-N 3.49Å; W186-P190 WeakPolarHBondContact O-CD 3.32Å; W186-P190 WeakPolarHBondContact O-CG 3.38Å |
| 187 | V | 96.5 | Very high | 95.3 | Very high | 102 Ų | 102 | 53.1 Ų | 53.1 | 62% | 0.618 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -99.7 | -52.3 | 172.6 | 174.9 | 0 | 0 | 0 | 0 | 110.6 | A183 T184 V185 A191 | A183-V187 WeakPolarHBondContact O-CG2 3.48Å; A183-V187 PolarHBondContact O-N 3.32Å; T184-V187 PolarHBondContact O-N 2.72Å; V185-V187 PolarHBondContact O-N 2.58Å; V187-A191 VanDerWaalsContact O-CB 3.29Å; V187-A191 WeakPolarHBondContact O-CB 3.24Å; V187-A191 PolarHBondContact O-N 2.72Å |
| 188 | V | 96.5 | Very high | 95.5 | Very high | 62 Ų | 62 | 53.5 Ų | 53.5 | 38% | 0.376 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -74.8 | -39.1 | -170.8 | -176.5 | 0 | 0 | 0 | 0 | 111.9 | T184 A191 A192 | T184-V188 HydrophobicContact CG2-CG2 3.82Å; T184-V188 VanDerWaalsContact O-CB 3.31Å; T184-V188 WeakPolarHBondContact O-CB 3.36Å; T184-V188 VanDerWaalsContact O-CG2 3.31Å; T184-V188 WeakPolarHBondContact O-CG2 3.17Å; T184-V188 PolarHBondContact O-N 2.81Å; V188-A191 PolarHBondContact O-N 3.46Å; V188-A192 VanDerWaalsContact O-CB 3.31Å; V188-A192 WeakPolarHBondContact O-CB 3.2Å; V188-A192 PolarHBondContact O-N 2.95Å |
| 189 | M | 96.9 | Very high | 95.4 | Very high | 7 Ų | 7 | 54.4 Ų | 54.4 | 3% | 0.034 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -71.8 | -45.1 | -177.3 | -58.1 | -64.7 | 118.1 | 0 | 0 | 112.5 | S147 W150 V185 A191 A192 M193 | S147-M189 WeakPolarHBondContact OG-CB 3.15Å; S147-M189 VanDerWaalsContact OG-CG 3.3Å; S147-M189 WeakPolarHBondContact OG-CG 3.28Å; W150-M189 HydrophobicContact CG-CE 4.02Å; W150-M189 HydrophobicContact CG-SD 4.49Å; V185-M189 HydrophobicContact CG1-CB 4.48Å; V185-M189 HydrophobicContact CG1-CG 3.8Å; V185-M189 VanDerWaalsContact O-CB 3.31Å; V185-M189 WeakPolarHBondContact O-CB 3.38Å; V185-M189 WeakPolarHBondContact O-CG 3.15Å; V185-M189 PolarHBondContact O-N 3.32Å; M189-A191 VanDerWaalsContact C-N 3.31Å; M189-A191 PolarHBondContact O-N 3.26Å; M189-A192 PolarHBondContact O-N 3.12Å; M189-M193 WeakPolarHBondContact O-CG 3.27Å; M189-M193 PolarHBondContact O-N 3.31Å |
| 190 | P | 95.9 | Very high | 95.2 | Very high | 66 Ų | 66 | 52 Ų | 52 | 43% | 0.429 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.5 | -37.4 | 172.5 | -27.3 | 39 | 0 | 0 | 0 | 113.2 | V185 W186 M193 L194 | V185-P190 WeakPolarHBondContact O-CD 3.49Å; W186-P190 WeakPolarHBondContact O-CD 3.32Å; W186-P190 WeakPolarHBondContact O-CG 3.38Å; P190-M193 PolarHBondContact O-N 3.5Å; P190-L194 PolarHBondContact O-N 3.49Å |
| 191 | A | 96.8 | Very high | 95 | Very high | 62 Ų | 62 | 50.3 Ų | 50.3 | 51% | 0.512 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.2 | -41.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | V187 V188 M189 M193 L194 | V187-A191 VanDerWaalsContact O-CB 3.29Å; V187-A191 WeakPolarHBondContact O-CB 3.24Å; V187-A191 PolarHBondContact O-N 2.72Å; V188-A191 PolarHBondContact O-N 3.46Å; M189-A191 VanDerWaalsContact C-N 3.31Å; M189-A191 PolarHBondContact O-N 3.26Å; A191-M193 VanDerWaalsContact C-N 3.27Å; A191-M193 PolarHBondContact O-N 3.12Å; A191-L194 VanDerWaalsContact O-CB 3.22Å; A191-L194 WeakPolarHBondContact O-CB 3.41Å; A191-L194 PolarHBondContact O-N 2.78Å |
| 192 | A | 95.9 | Very high | 94.8 | Very high | 23 Ų | 23 | 49.7 Ų | 49.7 | 19% | 0.19 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65 | -28.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | V188 M189 P195 Y229 L233 | V188-A192 VanDerWaalsContact O-CB 3.31Å; V188-A192 WeakPolarHBondContact O-CB 3.2Å; V188-A192 PolarHBondContact O-N 2.95Å; M189-A192 PolarHBondContact O-N 3.12Å; A192-P195 WeakPolarHBondContact O-CD 3.18Å; A192-Y229 WeakPolarHBondContact O-CE2 3.39Å; A192-Y229 PolarHBondContact O-OH 3.47Å; A192-Y229 VanDerWaalsContact O-OH 3.09Å; A192-L233 HydrophobicContact CB-CD2 4.1Å |
| 193 | M | 97.1 | Very high | 94.2 | Very high | 5 Ų | 5 | 50.2 Ų | 50.2 | 3% | 0.025 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -85.3 | -6.2 | 175.8 | -62.4 | -58.3 | 99.6 | 0 | 0 | 113.8 | A139 Y142 G143 Y146 M189 P190 A191 P195 L196 L197 L233 | A139-M193 HydrophobicContact CB-CB 4.31Å; Y142-M193 VanDerWaalsContact CB-SD 3.59Å; G143-M193 PolarHBondContact N-SD 2.83Å; G143-M193 VanDerWaalsContact N-SD 3.39Å; Y146-M193 HydrophobicContact CD2-CE 3.72Å; Y146-M193 HydrophobicContact CE2-CE 4.25Å; M189-M193 WeakPolarHBondContact O-CG 3.27Å; M189-M193 PolarHBondContact O-N 3.31Å; P190-M193 PolarHBondContact O-N 3.5Å; A191-M193 VanDerWaalsContact C-N 3.27Å; A191-M193 PolarHBondContact O-N 3.12Å; M193-P195 VanDerWaalsContact C-CD 3.48Å; M193-P195 VanDerWaalsContact C-N 3.34Å; M193-L196 WeakPolarHBondContact O-CB 3.45Å; M193-L196 PolarHBondContact O-N 3.28Å; M193-L196 HydrophobicContact SD-CD1 3.89Å; M193-L197 PolarHBondContact O-N 2.96Å; M193-L233 HydrophobicContact CE-CD1 3.98Å; M193-L233 HydrophobicContact CE-CD2 3.93Å |
| 194 | L | 95.9 | Very high | 93.6 | Very high | 86 Ų | 86 | 51.1 Ų | 51.1 | 45% | 0.45 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -56.1 | -38.9 | -179.2 | -174.7 | 63.2 | 0 | 0 | 0 | 113.5 | P190 A191 L196 L197 L198 | P190-L194 PolarHBondContact O-N 3.49Å; A191-L194 VanDerWaalsContact O-CB 3.22Å; A191-L194 WeakPolarHBondContact O-CB 3.41Å; A191-L194 PolarHBondContact O-N 2.78Å; L194-L196 VanDerWaalsContact C-N 3.3Å; L194-L196 PolarHBondContact O-N 3.12Å; L194-L197 PolarHBondContact O-N 3.38Å; L194-L197 VanDerWaalsContact O-N 3.08Å; L194-L198 HydrophobicContact CD1-CD1 3.93Å; L194-L198 HydrophobicContact CD1-CD2 4.32Å; L194-L198 HydrophobicContact CD1-CG 3.9Å; L194-L198 HydrophobicContact CD2-CD1 4.28Å; L194-L198 HydrophobicContact CG-CD1 3.77Å; L194-L198 HydrophobicContact CG-CG 4.13Å; L194-L198 WeakPolarHBondContact O-CG 3.05Å; L194-L198 PolarHBondContact O-N 3.21Å |
| 195 | P | 94 | Very high | 92.8 | Very high | 33 Ų | 33 | 48 Ų | 48 | 21% | 0.214 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -55.5 | -40 | 172.6 | -30.4 | 40.6 | 0 | 0 | 0 | 113.7 | A192 M193 L197 L198 S199 Y229 | A192-P195 WeakPolarHBondContact O-CD 3.18Å; M193-P195 VanDerWaalsContact C-CD 3.48Å; M193-P195 VanDerWaalsContact C-N 3.34Å; P195-L197 VanDerWaalsContact C-N 3.34Å; P195-L197 PolarHBondContact O-N 2.92Å; P195-L198 PolarHBondContact O-N 3.37Å; P195-S199 VanDerWaalsContact O-CB 3.27Å; P195-S199 WeakPolarHBondContact O-CB 3.22Å; P195-S199 PolarHBondContact O-N 3.25Å; P195-S199 PolarHBondContact O-OG 3.37Å; P195-Y229 HydrophobicContact CB-CD2 4.02Å; P195-Y229 HydrophobicContact CB-CE2 3.63Å; P195-Y229 HydrophobicContact CG-CD2 4.01Å; P195-Y229 HydrophobicContact CG-CE2 3.56Å |
| 196 | L | 93.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.4 | -30.5 | 176.6 | -71.2 | 164.3 | 0 | 0 | 0 | 112.8 | A139 Y142 M193 L194 Q201 F226 Y229 F230 | A139-L196 HydrophobicContact CB-CB 4.26Å; Y142-L196 HydrophobicContact CD2-CD1 3.72Å; Y142-L196 HydrophobicContact CG-CD1 4.12Å; M193-L196 WeakPolarHBondContact O-CB 3.45Å; M193-L196 PolarHBondContact O-N 3.28Å; M193-L196 HydrophobicContact SD-CD1 3.89Å; L194-L196 VanDerWaalsContact C-N 3.3Å; L194-L196 PolarHBondContact O-N 3.12Å; L196-Q201 PolarHBondContact O-NE2 3.45Å; L196-F226 HydrophobicContact CD2-CE1 3.96Å; L196-Y229 HydrophobicContact CD1-CE1 4.21Å; L196-Y229 VanDerWaalsContact CD1-OH 3.31Å; L196-Y229 WeakPolarHBondContact CD1-OH 3.43Å; L196-Y229 HydrophobicContact CD2-CE1 4.29Å; L196-Y229 HydrophobicContact CG-CE1 3.95Å; L196-Y229 WeakPolarHBondContact CG-OH 3.06Å; L196-F230 HydrophobicContact CD2-CZ 4.23Å |
| 197 | L | 95.3 | Very high | 90.6 | Very high | 66 Ų | 66 | 50.5 Ų | 50.5 | 35% | 0.346 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -76.8 | -25.7 | 176.4 | -69.6 | 171.6 | 0 | 0 | 0 | 113.4 | R135 I136 A139 M193 L194 P195 | R135-L197 WeakPolarHBondContact CD-O 3.43Å; R135-L197 PolarHBondContact NH1-O 3.27Å; I136-L197 HydrophobicContact CG1-CD2 4.42Å; A139-L197 HydrophobicContact CB-CD1 4.38Å; A139-L197 HydrophobicContact CB-CD2 3.44Å; A139-L197 VanDerWaalsContact CB-CD2 3.44Å; A139-L197 HydrophobicContact CB-CG 3.61Å; M193-L197 PolarHBondContact O-N 2.96Å; L194-L197 PolarHBondContact O-N 3.38Å; L194-L197 VanDerWaalsContact O-N 3.08Å; P195-L197 VanDerWaalsContact C-N 3.34Å; P195-L197 PolarHBondContact O-N 2.92Å |
| 198 | L | 93.9 | Very high | 89.6 | Confident | 116 Ų | 116 | 46.3 Ų | 46.3 | 61% | 0.607 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -97.9 | -38 | -177.9 | -63.5 | -179 | 0 | 0 | 0 | 113.3 | R135 L194 P195 | R135-L198 PolarHBondContact NH1-O 2.86Å; L194-L198 HydrophobicContact CD1-CD1 3.93Å; L194-L198 HydrophobicContact CD1-CD2 4.32Å; L194-L198 HydrophobicContact CD1-CG 3.9Å; L194-L198 HydrophobicContact CD2-CD1 4.28Å; L194-L198 HydrophobicContact CG-CD1 3.77Å; L194-L198 HydrophobicContact CG-CG 4.13Å; L194-L198 WeakPolarHBondContact O-CG 3.05Å; L194-L198 PolarHBondContact O-N 3.21Å; P195-L198 PolarHBondContact O-N 3.37Å |
| 199 | S | 89.9 | Confident | 89.1 | Confident | 19 Ų | 19 | 50 Ų | 50 | 13% | 0.133 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -74.4 | 156.7 | 179 | 59.1 | 0 | 0 | 0 | 0 | 112.7 | R135 P195 Q201 F226 | R135-S199 PolarHBondContact NE-O 3.47Å; P195-S199 VanDerWaalsContact O-CB 3.27Å; P195-S199 WeakPolarHBondContact O-CB 3.22Å; P195-S199 PolarHBondContact O-N 3.25Å; P195-S199 PolarHBondContact O-OG 3.37Å; S199-Q201 PolarHBondContact O-NE2 3.21Å; S199-Q201 PolarHBondContact OG-NE2 2.9Å; S199-F226 WeakPolarHBondContact OG-CZ 3.02Å |
| 200 | R | 89.6 | Confident | 88.6 | Confident | 129 Ų | 129 | 50.4 Ų | 50.4 | 49% | 0.487 | 28% | 0.28 | S | S | . | . | trans | -70.4 | 135.1 | 179.1 | -175.8 | 175.5 | -178.6 | 161 | 4 | 110.8 | E131 T202 Y203 | E131-R200 WeakPolarHBondContact OE1-CA 3.22Å; E131-R200 WeakPolarHBondContact OE1-CG 3.26Å; R200-T202 PolarHBondContact NE-O 2.96Å; R200-T202 PolarHBondContact NH2-O 3.22Å; R200-Y203 HydrophobicContact CG-CE2 4.39Å; R200-Y203 PolarHBondContact O-OH 3.08Å | ||
| 201 | Q | 90.2 | Very high | 88.3 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | trans | -118.1 | -27.1 | -178.5 | -57 | -57.4 | -34.6 | 0 | 0 | 113.5 | E131 C134 R135 L196 S199 H214 | E131-Q201 PolarHBondContact OE1-N 3.12Å; E131-Q201 PolarHBondContact OE2-N 2.82Å; C134-Q201 HydrophobicContact CB-CB 4.43Å; C134-Q201 WeakPolarHBondContact SG-CB 3.38Å; R135-Q201 HydrophobicContact CB-CG 4.42Å; R135-Q201 HydrophobicContact CG-CB 4.28Å; R135-Q201 HydrophobicContact CG-CG 3.73Å; L196-Q201 PolarHBondContact O-NE2 3.45Å; S199-Q201 PolarHBondContact O-NE2 3.21Å; S199-Q201 PolarHBondContact OG-NE2 2.9Å; Q201-H214 WeakPolarHBondContact O-CA 3.31Å; Q201-H214 PolarHBondContact O-N 3.48Å; Q201-H214 PolarHBondContact OE1-ND1 2.88Å | ||
| 202 | T | 89.7 | Confident | 87.9 | Confident | 12 Ų | 12 | 46.4 Ų | 46.4 | 7% | 0.074 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 131 | 175 | 55.7 | 0 | 0 | 0 | 0 | 112.8 | W127 E131 C134 R200 T211 T212 | W127-T202 HydrophobicContact CG-CG2 4.33Å; E131-T202 VanDerWaalsContact OE2-CB 3.25Å; E131-T202 WeakPolarHBondContact OE2-CB 3.35Å; E131-T202 WeakPolarHBondContact OE2-CG2 3.43Å; E131-T202 PolarHBondContact OE2-N 3.27Å; E131-T202 PolarHBondContact OE2-OG1 3.36Å; C134-T202 HydrophobicContact CB-CG2 3.66Å; R200-T202 PolarHBondContact NE-O 2.96Å; R200-T202 PolarHBondContact NH2-O 3.22Å; T202-T211 HydrophobicContact CG2-CG2 4.08Å; T202-T212 VanDerWaalsContact CA-O 3.25Å; T202-T212 WeakPolarHBondContact CA-O 3.13Å |
| 203 | Y | 84.5 | Confident | 87.6 | Confident | 34 Ų | 34 | 45.3 Ų | 45.3 | 13% | 0.133 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 119 | 177.8 | -67.9 | -88.3 | 0 | 0 | 0 | 109.3 | R200 T212 A216 L217 P218 | R200-Y203 HydrophobicContact CG-CE2 4.39Å; R200-Y203 PolarHBondContact O-OH 3.08Å; Y203-T212 PolarHBondContact N-O 3.23Å; Y203-T212 VanDerWaalsContact N-O 3.15Å; Y203-T212 PolarHBondContact O-N 3.42Å; Y203-T212 PolarHBondContact O-OG1 2.9Å; Y203-T212 VanDerWaalsContact O-OG1 3.09Å; Y203-A216 WeakPolarHBondContact CD2-O 3.47Å; Y203-L217 HydrophobicContact CE2-CD1 3.73Å; Y203-L217 WeakPolarHBondContact OH-CD1 3.5Å; Y203-P218 HydrophobicContact CD1-CG 4.16Å; Y203-P218 HydrophobicContact CE1-CG 3.86Å |
| 204 | P | 83.7 | Confident | 87.2 | Confident | 69 Ų | 69 | 45.2 Ų | 45.2 | 45% | 0.448 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 152.1 | 173.3 | 32.3 | -34.4 | 0 | 0 | 0 | 110.6 | I210 | P204-I210 CarbonylContact C-O 3.51Å; P204-I210 WeakPolarHBondContact CA-O 3.04Å |
| 205 | L | 78.8 | Confident | 86.3 | Confident | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 138.8 | 171.8 | -63.1 | 170.2 | 0 | 0 | 0 | 106.7 | L48 I56 P208 N209 I210 T212 | L48-L205 HydrophobicContact CD1-CD1 3.65Å; L48-L205 HydrophobicContact CD1-CD2 4.46Å; L48-L205 HydrophobicContact CG-CD1 4.37Å; L48-L205 HydrophobicContact CG-CD2 4.31Å; I56-L205 HydrophobicContact CD1-CD1 4.36Å; L205-P208 CarbonylContact C-O 3.59Å; L205-P208 WeakPolarHBondContact CB-O 3.25Å; L205-P208 VanDerWaalsContact O-O 3.06Å; L205-N209 WeakPolarHBondContact O-CA 3.23Å; L205-I210 HydrophobicContact CB-CG1 4.28Å; L205-I210 HydrophobicContact CD1-CD1 4.21Å; L205-I210 HydrophobicContact CD1-CG1 3.94Å; L205-I210 PolarHBondContact N-O 3.29Å; L205-I210 PolarHBondContact O-N 2.72Å; L205-I210 VanDerWaalsContact O-N 3.12Å; L205-T212 HydrophobicContact CD1-CG2 3.63Å; L205-T212 HydrophobicContact CG-CG2 4.39Å |
| 206 | D | 76.5 | Confident | 85.3 | Confident | 76 Ų | 76 | 39.7 Ų | 39.7 | 41% | 0.406 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | -31.7 | -177.7 | -57.7 | -68.9 | 0 | 0 | 0 | 111.9 | L45 T46 P208 N209 | L45-D206 HydrophobicContact CD2-CB 3.77Å; L45-D206 HydrophobicContact CG-CB 3.71Å; T46-D206 WeakPolarHBondContact CB-OD2 3.5Å; T46-D206 PolarHBondContact N-OD2 3.23Å; T46-D206 PolarHBondContact O-N 2.87Å; T46-D206 PolarHBondContact OG1-N 2.96Å; T46-D206 PolarHBondContact OG1-OD2 3.46Å; D206-P208 CarbonylContact O-C 3.6Å; D206-N209 PolarHBondContact O-N 3.38Å |
| 207 | D | 73 | Confident | 84.2 | Confident | 90 Ų | 90 | 39.8 Ų | 39.8 | 48% | 0.481 | 21% | 0.208 | S | C | . | . | B | Isolated β-bridge | trans | -135.1 | 108.8 | 172.8 | -170.6 | 12.6 | 0 | 0 | 0 | 111.5 | T47 | T47-D207 HydrophobicContact CG2-CB 3.88Å |
| 208 | P | 74.2 | Confident | 83 | Confident | 15 Ų | 15 | 38.3 Ų | 38.3 | 10% | 0.097 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -68.9 | 151.5 | -6.7 | 31.4 | -35.3 | 0 | 0 | 0 | 111.1 | V53 L205 D206 I210 | V53-P208 HydrophobicContact CG1-CG 4.27Å; L205-P208 CarbonylContact C-O 3.59Å; L205-P208 WeakPolarHBondContact CB-O 3.25Å; L205-P208 VanDerWaalsContact O-O 3.06Å; D206-P208 CarbonylContact O-C 3.6Å; P208-I210 VanDerWaalsContact C-N 3.28Å; P208-I210 HydrophobicContact CB-CG2 4.4Å; P208-I210 HydrophobicContact CG-CD1 3.99Å; P208-I210 HydrophobicContact CG-CG1 4.17Å; P208-I210 HydrophobicContact CG-CG2 4.45Å; P208-I210 PolarHBondContact O-N 2.97Å |
| 209 | N | 85.7 | Confident | 81.8 | Confident | 138 Ų | 138 | 34.9 Ų | 34.9 | 74% | 0.738 | 18% | 0.183 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 80 | 178.6 | -178.5 | 11.2 | 0 | 0 | 0 | 111.8 | L205 D206 | L205-N209 WeakPolarHBondContact O-CA 3.23Å; D206-N209 PolarHBondContact O-N 3.38Å |
| 210 | I | 88.1 | Confident | 80.8 | Confident | 17 Ų | 17 | 37.3 Ų | 37.3 | 9% | 0.087 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 150.8 | -178.1 | 68.6 | 177.2 | 0 | 0 | 0 | 112.7 | I56 H126 P204 L205 P208 T212 | I56-I210 HydrophobicContact CG2-CD1 4.14Å; H126-I210 HydrophobicContact CB-CB 4.36Å; H126-I210 HydrophobicContact CB-CG2 4.24Å; H126-I210 VanDerWaalsContact ND1-CA 3.25Å; H126-I210 WeakPolarHBondContact ND1-CA 3.49Å; H126-I210 WeakPolarHBondContact ND1-CB 3.47Å; P204-I210 CarbonylContact C-O 3.51Å; P204-I210 WeakPolarHBondContact CA-O 3.04Å; L205-I210 HydrophobicContact CB-CG1 4.28Å; L205-I210 HydrophobicContact CD1-CD1 4.21Å; L205-I210 HydrophobicContact CD1-CG1 3.94Å; L205-I210 PolarHBondContact N-O 3.29Å; L205-I210 PolarHBondContact O-N 2.72Å; L205-I210 VanDerWaalsContact O-N 3.12Å; P208-I210 VanDerWaalsContact C-N 3.28Å; P208-I210 HydrophobicContact CB-CG2 4.4Å; P208-I210 HydrophobicContact CG-CD1 3.99Å; P208-I210 HydrophobicContact CG-CG1 4.17Å; P208-I210 HydrophobicContact CG-CG2 4.45Å; P208-I210 PolarHBondContact O-N 2.97Å; I210-T212 HydrophobicContact CD1-CG2 4.25Å; I210-T212 HydrophobicContact CG1-CG2 4.42Å |
| 211 | T | 88.8 | Confident | 80.1 | Confident | 42 Ų | 42 | 33.5 Ų | 33.5 | 26% | 0.258 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 114.3 | 166.5 | -64.4 | 0 | 0 | 0 | 0 | 109.2 | H126 W127 T202 | H126-T211 PolarHBondContact ND1-N 2.6Å; W127-T211 WeakPolarHBondContact CB-O 3.19Å; W127-T211 PolarHBondContact N-O 3.3Å; T202-T211 HydrophobicContact CG2-CG2 4.08Å |
| 212 | T | 87.9 | Confident | 79.5 | Confident | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.012 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 150.8 | 173.6 | 63.7 | 0 | 0 | 0 | 0 | 110.2 | T202 Y203 L205 I210 A216 | T202-T212 VanDerWaalsContact CA-O 3.25Å; T202-T212 WeakPolarHBondContact CA-O 3.13Å; Y203-T212 PolarHBondContact N-O 3.23Å; Y203-T212 VanDerWaalsContact N-O 3.15Å; Y203-T212 PolarHBondContact O-N 3.42Å; Y203-T212 PolarHBondContact O-OG1 2.9Å; Y203-T212 VanDerWaalsContact O-OG1 3.09Å; L205-T212 HydrophobicContact CD1-CG2 3.63Å; L205-T212 HydrophobicContact CG-CG2 4.39Å; I210-T212 HydrophobicContact CD1-CG2 4.25Å; I210-T212 HydrophobicContact CG1-CG2 4.42Å; T212-A216 HydrophobicContact CG2-CB 4.3Å; T212-A216 WeakPolarHBondContact OG1-CB 3.29Å; T212-A216 PolarHBondContact OG1-N 3.39Å |
| 213 | C | 90.6 | Very high | 79 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 108.4 | 168.6 | 172.4 | 0 | 0 | 0 | 0 | 108.6 | R117 Y120 W127 C134 D215 | R117-C213 PolarHBondContact NH1-O 2.97Å; Y120-C213 HydrophobicContact CD2-CB 4.5Å; Y120-C213 HydrophobicContact CE2-CB 4.07Å; Y120-C213 PolarHBondContact OH-N 3.43Å; Y120-C213 VanDerWaalsContact OH-N 3.13Å; W127-C213 HydrophobicContact CB-CB 3.88Å; W127-C213 HydrophobicContact CD2-CB 3.65Å; W127-C213 HydrophobicContact CE3-CB 3.7Å; W127-C213 HydrophobicContact CG-CB 3.72Å; C134-C213 VanDerWaalsContact CA-SG 3.57Å; C134-C213 HydrophobicContact CB-CB 4.06Å; C134-C213 WeakPolarHBondContact CB-SG 3.26Å; C134-C213 WeakPolarHBondContact SG-CA 3.44Å; C134-C213 WeakPolarHBondContact SG-CB 3.31Å; C134-C213 CovalentContact SG-SG 2.04Å; C134-C213 PolarHBondContact SG-SG 2.85Å; C213-D215 PolarHBondContact O-N 2.8Å |
| 214 | H | 87.3 | Confident | 78.8 | Confident | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.009 | 24% | 0.237 | C | C | . | . | S | Bend | trans | 67.5 | -18.7 | 178.6 | -167.2 | 82 | 0 | 0 | 0 | 116.6 | R35 M138 Y142 Q201 | R35-H214 PolarHBondContact NH1-CD2 3Å; R35-H214 PolarHBondContact NH1-CE1 2.83Å; R35-H214 VanDerWaalsContact NH1-CG 3.31Å; R35-H214 PolarHBondContact NH1-ND1 3.26Å; R35-H214 PolarHBondContact NH1-NE2 2.85Å; R35-H214 PolarHBondContact NH1-O 2.77Å; R35-H214 PolarHBondContact NH2-CD2 2.72Å; R35-H214 PolarHBondContact NH2-NE2 2.9Å; M138-H214 HydrophobicContact CE-CB 3.95Å; M138-H214 WeakPolarHBondContact CE-CD2 3.47Å; M138-H214 HydrophobicContact CG-CB 3.73Å; M138-H214 HydrophobicContact SD-CB 3.88Å; Y142-H214 AromaticContact CE2-CE1 3.76Å; Y142-H214 AromaticContact CE2-NE2 3.23Å; Y142-H214 WeakPolarHBondContact CE2-NE2 3.46Å; Y142-H214 AromaticContact CZ-NE2 3.45Å; Y142-H214 PolarHBondContact OH-NE2 3.15Å; Q201-H214 WeakPolarHBondContact O-CA 3.31Å; Q201-H214 PolarHBondContact O-N 3.48Å; Q201-H214 PolarHBondContact OE1-ND1 2.88Å |
| 215 | D | 77.9 | Confident | 78.9 | Confident | 3 Ų | 3 | 44.2 Ų | 44.2 | 2% | 0.016 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -76.7 | -32.1 | -170.5 | -57 | -26.5 | 0 | 0 | 0 | 113.5 | A36 R117 Y120 C213 Y303 M307 | A36-D215 VanDerWaalsContact CB-O 3.29Å; A36-D215 WeakPolarHBondContact CB-O 3.18Å; R117-D215 IonicContact CZ-OD1 2.72Å; R117-D215 IonicContact NH1-OD1 3.74Å; R117-D215 PolarHBondContact NH1-OD1 2.94Å; R117-D215 IonicContact NH1-OD2 3.79Å; R117-D215 PolarHBondContact NH1-OD2 2.9Å; R117-D215 IonicContact NH2-OD1 3.24Å; R117-D215 PolarHBondContact NH2-OD1 2.98Å; R117-D215 IonicContact NH2-OD2 3.97Å; Y120-D215 WeakPolarHBondContact CE1-OD2 3.24Å; Y120-D215 VanDerWaalsContact CZ-OD2 3.22Å; Y120-D215 PolarHBondContact OH-OD2 3.32Å; C213-D215 PolarHBondContact O-N 2.8Å; D215-Y303 HydrophobicContact CB-CE2 4.06Å; D215-Y303 WeakPolarHBondContact CB-OH 3.07Å; D215-M307 HydrophobicContact CB-CE 4.3Å; D215-M307 WeakPolarHBondContact OD1-CE 3.36Å |
| 216 | A | 71.7 | Confident | 79.3 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.008 | 24% | 0.235 | C | C | . | . | trans | -108.7 | 133.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | L34 Y203 T212 | L34-A216 HydrophobicContact CB-CB 4.36Å; L34-A216 HydrophobicContact CD2-CB 4.04Å; Y203-A216 WeakPolarHBondContact CD2-O 3.47Å; T212-A216 HydrophobicContact CG2-CB 4.3Å; T212-A216 WeakPolarHBondContact OG1-CB 3.29Å; T212-A216 PolarHBondContact OG1-N 3.39Å | ||
| 217 | L | 70.3 | Confident | 79.9 | Confident | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | trans | -150.9 | 124.9 | -176.7 | 168.3 | 79.3 | 0 | 0 | 0 | 111.2 | L34 R35 Y203 V221 Q222 F226 Y292 | L34-L217 CarbonylContact C-O 3.44Å; L34-L217 WeakPolarHBondContact CA-O 3.37Å; L34-L217 VanDerWaalsContact CG-C 3.5Å; R35-L217 HydrophobicContact CB-CB 3.73Å; R35-L217 HydrophobicContact CB-CD2 4.32Å; R35-L217 HydrophobicContact CB-CG 4.49Å; R35-L217 HydrophobicContact CG-CB 4.12Å; R35-L217 HydrophobicContact CG-CD2 4.03Å; Y203-L217 HydrophobicContact CE2-CD1 3.73Å; Y203-L217 WeakPolarHBondContact OH-CD1 3.5Å; L217-V221 HydrophobicContact CD1-CB 4.18Å; L217-V221 HydrophobicContact CD1-CG1 3.91Å; L217-Q222 HydrophobicContact CD2-CB 4.08Å; L217-F226 HydrophobicContact CD1-CD2 3.84Å; L217-F226 HydrophobicContact CD1-CE2 3.52Å; L217-F226 HydrophobicContact CD1-CZ 4.42Å; L217-F226 HydrophobicContact CD2-CB 4.03Å; L217-F226 HydrophobicContact CD2-CD2 3.33Å; L217-F226 HydrophobicContact CD2-CE2 3.86Å; L217-F226 HydrophobicContact CD2-CG 3.8Å; L217-F226 HydrophobicContact CG-CD2 4.17Å; L217-F226 HydrophobicContact CG-CE2 4.33Å; L217-Y292 HydrophobicContact CD2-CE1 4.13Å | ||
| 218 | P | 70.5 | Confident | 80.8 | Confident | 34 Ų | 34 | 41.2 Ų | 41.2 | 22% | 0.221 | 22% | 0.223 | C | C | . | . | trans | -49.5 | 138.9 | -175.8 | -31 | 36.7 | 0 | 0 | 0 | 116 | L34 Y203 S220 V221 Q222 | L34-P218 HydrophobicContact CD2-CG 4.34Å; Y203-P218 HydrophobicContact CD1-CG 4.16Å; Y203-P218 HydrophobicContact CE1-CG 3.86Å; P218-S220 PolarHBondContact O-N 2.73Å; P218-V221 HydrophobicContact CB-CB 4.39Å; P218-V221 HydrophobicContact CB-CG2 4.02Å; P218-V221 CarbonylContact O-C 3.55Å; P218-V221 WeakPolarHBondContact O-CA 3.45Å; P218-V221 WeakPolarHBondContact O-CB 3.28Å; P218-V221 PolarHBondContact O-N 3.49Å; P218-Q222 PolarHBondContact O-N 3.41Å | ||
| 219 | E | 68.8 | Low | 81.8 | Confident | 45 Ų | 45 | 42 Ų | 42 | 21% | 0.21 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -48.5 | -51.4 | -177.6 | -163.3 | 161.5 | -157 | 0 | 0 | 112.9 | Y32 R33 V221 Q222 E223 | Y32-E219 VanDerWaalsContact CA-OE2 3.31Å; Y32-E219 WeakPolarHBondContact CA-OE2 3.42Å; R33-E219 HydrophobicContact CB-CB 4.33Å; R33-E219 HydrophobicContact CB-CG 3.94Å; R33-E219 WeakPolarHBondContact CB-OE1 3.42Å; R33-E219 WeakPolarHBondContact CD-OE1 3.46Å; R33-E219 VanDerWaalsContact CG-OE1 3.24Å; R33-E219 WeakPolarHBondContact CG-OE1 3.5Å; R33-E219 VanDerWaalsContact N-CD 3.34Å; R33-E219 PolarHBondContact N-OE2 3.45Å; R33-E219 WeakPolarHBondContact O-CA 3.46Å; R33-E219 WeakPolarHBondContact O-CB 3.48Å; R33-E219 PolarHBondContact O-N 3.13Å; E219-V221 PolarHBondContact O-N 3.18Å; E219-Q222 WeakPolarHBondContact O-CB 3.37Å; E219-Q222 PolarHBondContact O-N 3.41Å; E219-Q222 VanDerWaalsContact O-N 3.13Å; E219-E223 PolarHBondContact O-N 3.3Å |
| 220 | S | 69.2 | Low | 82.1 | Confident | 70 Ų | 70 | 35.4 Ų | 35.4 | 49% | 0.49 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.9 | -28.2 | 178.8 | 56.6 | 0 | 0 | 0 | 0 | 113.3 | P218 N224 | P218-S220 PolarHBondContact O-N 2.73Å; S220-N224 VanDerWaalsContact O-CB 3.29Å; S220-N224 WeakPolarHBondContact O-CB 3.33Å; S220-N224 PolarHBondContact O-N 2.81Å; S220-N224 PolarHBondContact O-ND2 2.8Å |
| 221 | V | 75.1 | Confident | 82.4 | Confident | 48 Ų | 48 | 36.2 Ų | 36.2 | 29% | 0.291 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -87.9 | -33.5 | 177.1 | -169.6 | 0 | 0 | 0 | 0 | 110.6 | L217 P218 E219 Y225 F226 | L217-V221 HydrophobicContact CD1-CB 4.18Å; L217-V221 HydrophobicContact CD1-CG1 3.91Å; P218-V221 HydrophobicContact CB-CB 4.39Å; P218-V221 HydrophobicContact CB-CG2 4.02Å; P218-V221 CarbonylContact O-C 3.55Å; P218-V221 WeakPolarHBondContact O-CA 3.45Å; P218-V221 WeakPolarHBondContact O-CB 3.28Å; P218-V221 PolarHBondContact O-N 3.49Å; E219-V221 PolarHBondContact O-N 3.18Å; V221-Y225 WeakPolarHBondContact O-CB 3.3Å; V221-Y225 PolarHBondContact O-N 2.74Å; V221-F226 HydrophobicContact CG1-CD2 3.88Å; V221-F226 HydrophobicContact CG1-CE2 3.79Å; V221-F226 PolarHBondContact O-N 3.27Å; V221-F226 VanDerWaalsContact O-N 3.08Å |
| 222 | Q | 77.6 | Confident | 82.6 | Confident | 10 Ų | 10 | 38 Ų | 38 | 5% | 0.047 | 21% | 0.209 | C | C | . | . | I | π-helix | trans | -59.3 | -58.1 | 171.2 | 177.3 | -172.4 | -24.9 | 0 | 0 | 110.6 | R35 L217 P218 E219 F226 L227 Y292 | R35-Q222 HydrophobicContact CB-CG 4.3Å; R35-Q222 HydrophobicContact CG-CG 4.23Å; L217-Q222 HydrophobicContact CD2-CB 4.08Å; P218-Q222 PolarHBondContact O-N 3.41Å; E219-Q222 WeakPolarHBondContact O-CB 3.37Å; E219-Q222 PolarHBondContact O-N 3.41Å; E219-Q222 VanDerWaalsContact O-N 3.13Å; Q222-F226 PolarHBondContact O-N 3.37Å; Q222-L227 WeakPolarHBondContact O-CB 3.36Å; Q222-L227 PolarHBondContact O-N 3.43Å; Q222-Y292 HydrophobicContact CG-CD1 3.59Å; Q222-Y292 HydrophobicContact CG-CE1 3.79Å; Q222-Y292 PolarHBondContact NE2-O 2.76Å |
| 223 | E | 78.6 | Confident | 83 | Confident | 99 Ų | 99 | 38.2 Ų | 38.2 | 46% | 0.463 | 21% | 0.21 | S | C | . | . | I | π-helix | trans | -71.5 | -49.8 | -173.1 | -65.4 | -176.9 | 157 | 0 | 0 | 112.5 | E219 P228 | E219-E223 PolarHBondContact O-N 3.3Å; E223-P228 WeakPolarHBondContact O-CD 3.26Å |
| 224 | N | 81.2 | Confident | 83.2 | Confident | 127 Ų | 127 | 40.2 Ų | 40.2 | 68% | 0.679 | 22% | 0.219 | S | C | * | . | I | π-helix | trans | -81.5 | -18.9 | -171.4 | -60.8 | -72.7 | 0 | 0 | 0 | 114.1 | S220 | S220-N224 VanDerWaalsContact O-CB 3.29Å; S220-N224 WeakPolarHBondContact O-CB 3.33Å; S220-N224 PolarHBondContact O-N 2.81Å; S220-N224 PolarHBondContact O-ND2 2.8Å |
| 225 | Y | 85.6 | Confident | 83.4 | Confident | 105 Ų | 105 | 43.5 Ų | 43.5 | 41% | 0.412 | 24% | 0.239 | S | C | . | . | I | π-helix | trans | -124.2 | -57 | -175.5 | -171.5 | -99.7 | 0 | 0 | 0 | 113.2 | V221 P228 Y229 | V221-Y225 WeakPolarHBondContact O-CB 3.3Å; V221-Y225 PolarHBondContact O-N 2.74Å; Y225-P228 WeakPolarHBondContact O-CG 3.31Å; Y225-Y229 VanDerWaalsContact O-CB 3.24Å; Y225-Y229 WeakPolarHBondContact O-CB 3.19Å; Y225-Y229 PolarHBondContact O-N 2.92Å |
| 226 | F | 87.4 | Confident | 84.1 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 0% | 0.004 | 26% | 0.257 | C | S | . | . | I | π-helix | trans | -80.4 | -34.7 | -171.2 | -77.6 | -80.7 | 0 | 0 | 0 | 114.6 | L196 S199 L217 V221 Q222 Y229 F230 Y292 | L196-F226 HydrophobicContact CD2-CE1 3.96Å; S199-F226 WeakPolarHBondContact OG-CZ 3.02Å; L217-F226 HydrophobicContact CD1-CD2 3.84Å; L217-F226 HydrophobicContact CD1-CE2 3.52Å; L217-F226 HydrophobicContact CD1-CZ 4.42Å; L217-F226 HydrophobicContact CD2-CB 4.03Å; L217-F226 HydrophobicContact CD2-CD2 3.33Å; L217-F226 HydrophobicContact CD2-CE2 3.86Å; L217-F226 HydrophobicContact CD2-CG 3.8Å; L217-F226 HydrophobicContact CG-CD2 4.17Å; L217-F226 HydrophobicContact CG-CE2 4.33Å; V221-F226 HydrophobicContact CG1-CD2 3.88Å; V221-F226 HydrophobicContact CG1-CE2 3.79Å; V221-F226 PolarHBondContact O-N 3.27Å; V221-F226 VanDerWaalsContact O-N 3.08Å; Q222-F226 PolarHBondContact O-N 3.37Å; F226-Y229 HydrophobicContact CD1-CD1 4.1Å; F226-Y229 PolarHBondContact O-N 3.13Å; F226-F230 HydrophobicContact CB-CD2 4.26Å; F226-F230 HydrophobicContact CD1-CD2 4.23Å; F226-F230 AromaticContact CD1-CE2 3.78Å; F226-F230 HydrophobicContact CD1-CE2 3.78Å; F226-F230 WeakPolarHBondContact O-CB 3.2Å; F226-F230 WeakPolarHBondContact O-CD2 3.29Å; F226-F230 PolarHBondContact O-N 2.92Å; F226-Y292 HydrophobicContact CB-CD1 4.25Å; F226-Y292 HydrophobicContact CB-CE1 3.33Å; F226-Y292 WeakPolarHBondContact CB-OH 3.44Å; F226-Y292 HydrophobicContact CG-CE1 4.38Å |
| 227 | L | 89.2 | Confident | 85.2 | Confident | 45 Ų | 45 | 46.7 Ų | 46.7 | 24% | 0.236 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.8 | -54.4 | 174 | 169.6 | 61.4 | 0 | 0 | 0 | 111.8 | Q222 Y229 F230 A231 Y292 | Q222-L227 WeakPolarHBondContact O-CB 3.36Å; Q222-L227 PolarHBondContact O-N 3.43Å; L227-Y229 VanDerWaalsContact C-N 3.3Å; L227-Y229 PolarHBondContact O-N 3.27Å; L227-F230 PolarHBondContact O-N 3.35Å; L227-A231 VanDerWaalsContact O-CB 3.22Å; L227-A231 WeakPolarHBondContact O-CB 3.37Å; L227-A231 PolarHBondContact O-N 2.94Å; L227-Y292 HydrophobicContact CB-CD1 4.32Å |
| 228 | P | 92 | Very high | 86.3 | Confident | 60 Ų | 60 | 46.7 Ų | 46.7 | 39% | 0.39 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.5 | -33.6 | 176.9 | 22.7 | -32.3 | 0 | 0 | 0 | 112.7 | E223 Y225 T232 | E223-P228 WeakPolarHBondContact O-CD 3.26Å; Y225-P228 WeakPolarHBondContact O-CG 3.31Å; P228-T232 WeakPolarHBondContact O-CB 3.31Å; P228-T232 PolarHBondContact O-N 3.33Å; P228-T232 PolarHBondContact O-OG1 3.37Å |
| 229 | Y | 93.4 | Very high | 87.4 | Confident | 30 Ų | 30 | 48.2 Ų | 48.2 | 12% | 0.118 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.1 | -52.2 | 173.5 | 167.2 | -108.1 | 0 | 0 | 0 | 112.4 | A192 P195 L196 Y225 F226 L227 T232 L233 | A192-Y229 WeakPolarHBondContact O-CE2 3.39Å; A192-Y229 PolarHBondContact O-OH 3.47Å; A192-Y229 VanDerWaalsContact O-OH 3.09Å; P195-Y229 HydrophobicContact CB-CD2 4.02Å; P195-Y229 HydrophobicContact CB-CE2 3.63Å; P195-Y229 HydrophobicContact CG-CD2 4.01Å; P195-Y229 HydrophobicContact CG-CE2 3.56Å; L196-Y229 HydrophobicContact CD1-CE1 4.21Å; L196-Y229 VanDerWaalsContact CD1-OH 3.31Å; L196-Y229 WeakPolarHBondContact CD1-OH 3.43Å; L196-Y229 HydrophobicContact CD2-CE1 4.29Å; L196-Y229 HydrophobicContact CG-CE1 3.95Å; L196-Y229 WeakPolarHBondContact CG-OH 3.06Å; Y225-Y229 VanDerWaalsContact O-CB 3.24Å; Y225-Y229 WeakPolarHBondContact O-CB 3.19Å; Y225-Y229 PolarHBondContact O-N 2.92Å; F226-Y229 HydrophobicContact CD1-CD1 4.1Å; F226-Y229 PolarHBondContact O-N 3.13Å; L227-Y229 VanDerWaalsContact C-N 3.3Å; L227-Y229 PolarHBondContact O-N 3.27Å; Y229-T232 WeakPolarHBondContact O-CB 3.47Å; Y229-T232 PolarHBondContact O-N 3.12Å; Y229-L233 HydrophobicContact CD1-CD1 4.21Å; Y229-L233 HydrophobicContact CD2-CD1 4.4Å; Y229-L233 HydrophobicContact CE1-CD1 3.61Å; Y229-L233 HydrophobicContact CE2-CD1 3.81Å; Y229-L233 HydrophobicContact CE2-CG 4.22Å; Y229-L233 VanDerWaalsContact CZ-CD1 3.4Å; Y229-L233 PolarHBondContact O-N 3.44Å |
| 230 | F | 93.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -70.7 | -32 | 179.3 | -81.3 | -67.7 | 0 | 0 | 0 | 112.6 | Y142 L196 F226 L227 T232 L233 F234 L288 I289 Y292 | Y142-F230 AromaticContact CD1-CE1 3.74Å; Y142-F230 HydrophobicContact CD1-CE1 3.74Å; Y142-F230 HydrophobicContact CD1-CZ 4.33Å; Y142-F230 HydrophobicContact CD2-CZ 4.4Å; Y142-F230 HydrophobicContact CE1-CD1 4.48Å; Y142-F230 AromaticContact CE1-CE1 3.5Å; Y142-F230 HydrophobicContact CE1-CE1 3.5Å; Y142-F230 VanDerWaalsContact CE1-CE1 3.5Å; Y142-F230 AromaticContact CE1-CZ 3.88Å; Y142-F230 HydrophobicContact CE1-CZ 3.88Å; Y142-F230 HydrophobicContact CE2-CE1 4.34Å; Y142-F230 AromaticContact CE2-CZ 3.98Å; Y142-F230 HydrophobicContact CE2-CZ 3.98Å; Y142-F230 HydrophobicContact CG-CE1 4.24Å; Y142-F230 AromaticContact CZ-CE1 3.82Å; Y142-F230 AromaticContact CZ-CZ 3.67Å; L196-F230 HydrophobicContact CD2-CZ 4.23Å; F226-F230 HydrophobicContact CB-CD2 4.26Å; F226-F230 HydrophobicContact CD1-CD2 4.23Å; F226-F230 AromaticContact CD1-CE2 3.78Å; F226-F230 HydrophobicContact CD1-CE2 3.78Å; F226-F230 WeakPolarHBondContact O-CB 3.2Å; F226-F230 WeakPolarHBondContact O-CD2 3.29Å; F226-F230 PolarHBondContact O-N 2.92Å; L227-F230 PolarHBondContact O-N 3.35Å; F230-T232 VanDerWaalsContact C-N 3.32Å; F230-T232 PolarHBondContact O-N 2.96Å; F230-L233 HydrophobicContact CD1-CD1 3.88Å; F230-L233 HydrophobicContact CE1-CD1 4.06Å; F230-L233 PolarHBondContact O-N 2.82Å; F230-F234 WeakPolarHBondContact O-CB 3.43Å; F230-F234 PolarHBondContact O-N 3.12Å; F230-L288 HydrophobicContact CD1-CD1 4.42Å; F230-L288 HydrophobicContact CD1-CD2 3.74Å; F230-L288 HydrophobicContact CD1-CG 4.37Å; F230-L288 HydrophobicContact CE1-CD2 4.18Å; F230-L288 HydrophobicContact CG-CD2 4.39Å; F230-I289 HydrophobicContact CB-CD1 4.25Å; F230-Y292 HydrophobicContact CB-CD2 4.26Å; F230-Y292 HydrophobicContact CB-CE2 4.38Å; F230-Y292 AromaticContact CD2-CD2 3.89Å; F230-Y292 HydrophobicContact CD2-CD2 3.89Å; F230-Y292 HydrophobicContact CD2-CE1 4.33Å; F230-Y292 AromaticContact CD2-CE2 3.17Å; F230-Y292 HydrophobicContact CD2-CE2 3.17Å; F230-Y292 AromaticContact CD2-CZ 3.45Å; F230-Y292 VanDerWaalsContact CD2-CZ 3.45Å; F230-Y292 AromaticContact CE2-CE2 3.52Å; F230-Y292 HydrophobicContact CE2-CE2 3.52Å; F230-Y292 AromaticContact CE2-CZ 3.63Å; F230-Y292 VanDerWaalsContact CE2-OH 3.23Å; F230-Y292 WeakPolarHBondContact CE2-OH 3.28Å; F230-Y292 HydrophobicContact CG-CD2 4.24Å; F230-Y292 AromaticContact CG-CE2 3.89Å; F230-Y292 HydrophobicContact CG-CE2 3.89Å; F230-Y292 HydrophobicContact CZ-CE2 4.45Å |
| 231 | A | 93.3 | Very high | 89.8 | Confident | 34 Ų | 34 | 46.7 Ų | 46.7 | 28% | 0.281 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.1 | -38 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112 | L227 F234 T235 I289 | L227-A231 VanDerWaalsContact O-CB 3.22Å; L227-A231 WeakPolarHBondContact O-CB 3.37Å; L227-A231 PolarHBondContact O-N 2.94Å; A231-F234 PolarHBondContact O-N 2.93Å; A231-T235 WeakPolarHBondContact O-CG2 3.29Å; A231-T235 PolarHBondContact O-N 3.1Å; A231-T235 PolarHBondContact O-OG1 2.92Å; A231-I289 HydrophobicContact CB-CD1 4.37Å |
| 232 | T | 94.6 | Very high | 90.7 | Very high | 79 Ų | 79 | 46.2 Ų | 46.2 | 49% | 0.485 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.4 | -45.2 | 172.4 | -58.2 | 0 | 0 | 0 | 0 | 111.1 | P228 Y229 F230 T235 T236 | P228-T232 WeakPolarHBondContact O-CB 3.31Å; P228-T232 PolarHBondContact O-N 3.33Å; P228-T232 PolarHBondContact O-OG1 3.37Å; Y229-T232 WeakPolarHBondContact O-CB 3.47Å; Y229-T232 PolarHBondContact O-N 3.12Å; F230-T232 VanDerWaalsContact C-N 3.32Å; F230-T232 PolarHBondContact O-N 2.96Å; T232-T235 PolarHBondContact O-N 3Å; T232-T235 PolarHBondContact O-OG1 2.9Å; T232-T235 VanDerWaalsContact O-OG1 3.06Å; T232-T236 HydrophobicContact CG2-CG2 4.33Å; T232-T236 WeakPolarHBondContact O-CB 3.29Å; T232-T236 WeakPolarHBondContact O-CG2 3.47Å; T232-T236 PolarHBondContact O-N 2.84Å; T232-T236 PolarHBondContact O-OG1 3.36Å |
| 233 | L | 95.2 | Very high | 91.5 | Very high | 7 Ų | 7 | 50.4 Ų | 50.4 | 4% | 0.037 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.1 | -39.2 | 175.8 | -69.3 | 175.3 | 0 | 0 | 0 | 112.7 | Y146 A192 M193 Y229 F230 C237 F238 | Y146-L233 HydrophobicContact CD2-CD1 4.45Å; Y146-L233 HydrophobicContact CE1-CB 4.16Å; Y146-L233 HydrophobicContact CE2-CB 4.02Å; Y146-L233 HydrophobicContact CE2-CD1 3.76Å; Y146-L233 HydrophobicContact CE2-CD2 4.48Å; Y146-L233 HydrophobicContact CE2-CG 4.33Å; A192-L233 HydrophobicContact CB-CD2 4.1Å; M193-L233 HydrophobicContact CE-CD1 3.98Å; M193-L233 HydrophobicContact CE-CD2 3.93Å; Y229-L233 HydrophobicContact CD1-CD1 4.21Å; Y229-L233 HydrophobicContact CD2-CD1 4.4Å; Y229-L233 HydrophobicContact CE1-CD1 3.61Å; Y229-L233 HydrophobicContact CE2-CD1 3.81Å; Y229-L233 HydrophobicContact CE2-CG 4.22Å; Y229-L233 VanDerWaalsContact CZ-CD1 3.4Å; Y229-L233 PolarHBondContact O-N 3.44Å; F230-L233 HydrophobicContact CD1-CD1 3.88Å; F230-L233 HydrophobicContact CE1-CD1 4.06Å; F230-L233 PolarHBondContact O-N 2.82Å; L233-C237 HydrophobicContact CD2-CB 4.47Å; L233-C237 CarbonylContact O-C 3.46Å; L233-C237 VanDerWaalsContact O-CA 3.24Å; L233-C237 WeakPolarHBondContact O-CA 3.38Å; L233-C237 VanDerWaalsContact O-CB 3.25Å; L233-C237 WeakPolarHBondContact O-CB 3.29Å; L233-C237 PolarHBondContact O-N 3.43Å; L233-F238 PolarHBondContact O-N 2.94Å; L233-F238 VanDerWaalsContact O-N 3.15Å |
| 234 | F | 94.6 | Very high | 92.4 | Very high | 42 Ų | 42 | 48 Ų | 48 | 18% | 0.184 | 26% | 0.258 | C | S | . | . | I | π-helix | trans | -60.9 | -49 | 175.4 | 177.7 | -88.6 | 0 | 0 | 0 | 111 | F230 A231 F238 L239 N285 V286 I289 | F230-F234 WeakPolarHBondContact O-CB 3.43Å; F230-F234 PolarHBondContact O-N 3.12Å; A231-F234 PolarHBondContact O-N 2.93Å; F234-F238 HydrophobicContact CD2-CD1 4.03Å; F234-F238 AromaticContact CE2-CD1 3.77Å; F234-F238 HydrophobicContact CE2-CD1 3.77Å; F234-F238 HydrophobicContact CE2-CE1 4.14Å; F234-F238 HydrophobicContact CZ-CD1 4.25Å; F234-F238 CarbonylContact O-C 3.59Å; F234-F238 WeakPolarHBondContact O-CB 3.45Å; F234-F238 PolarHBondContact O-N 3.38Å; F234-L239 WeakPolarHBondContact O-CB 3.14Å; F234-L239 PolarHBondContact O-N 3.26Å; F234-N285 HydrophobicContact CD2-CB 3.91Å; F234-N285 WeakPolarHBondContact CD2-O 3.47Å; F234-N285 HydrophobicContact CE2-CB 4.02Å; F234-V286 HydrophobicContact CE2-CG2 4.2Å; F234-V286 HydrophobicContact CZ-CG2 4.46Å; F234-I289 HydrophobicContact CB-CD1 3.82Å; F234-I289 HydrophobicContact CB-CG1 3.84Å; F234-I289 HydrophobicContact CD2-CG1 3.73Å; F234-I289 HydrophobicContact CE2-CG1 4.45Å; F234-I289 HydrophobicContact CG-CD1 4.32Å; F234-I289 HydrophobicContact CG-CG1 3.78Å |
| 235 | T | 92 | Very high | 93 | Very high | 72 Ų | 72 | 42.1 Ų | 42.1 | 44% | 0.442 | 23% | 0.226 | S | C | . | . | I | π-helix | trans | -70.2 | -47.2 | -178.4 | 50.1 | 0 | 0 | 0 | 0 | 112.7 | A231 T232 L240 | A231-T235 WeakPolarHBondContact O-CG2 3.29Å; A231-T235 PolarHBondContact O-N 3.1Å; A231-T235 PolarHBondContact O-OG1 2.92Å; T232-T235 PolarHBondContact O-N 3Å; T232-T235 PolarHBondContact O-OG1 2.9Å; T232-T235 VanDerWaalsContact O-OG1 3.06Å; T235-L240 PolarHBondContact O-N 3.21Å |
| 236 | T | 92.6 | Very high | 93.4 | Very high | 64 Ų | 64 | 39.4 Ų | 39.4 | 39% | 0.393 | 22% | 0.218 | S | C | . | . | I | π-helix | trans | -86.9 | -37.9 | -173.8 | 63.1 | 0 | 0 | 0 | 0 | 114 | W150 T232 | W150-T236 WeakPolarHBondContact CZ2-O 3Å; T232-T236 HydrophobicContact CG2-CG2 4.33Å; T232-T236 WeakPolarHBondContact O-CB 3.29Å; T232-T236 WeakPolarHBondContact O-CG2 3.47Å; T232-T236 PolarHBondContact O-N 2.84Å; T232-T236 PolarHBondContact O-OG1 3.36Å |
| 237 | C | 94 | Very high | 93.8 | Very high | 7 Ų | 7 | 45.1 Ų | 45.1 | 5% | 0.047 | 24% | 0.243 | C | C | . | . | I | π-helix | trans | -106.3 | -10.1 | -172.9 | -66.6 | 0 | 0 | 0 | 0 | 115 | Y146 V149 L233 P241 | Y146-C237 HydrophobicContact CD1-CB 3.46Å; Y146-C237 VanDerWaalsContact CD1-CB 3.46Å; Y146-C237 HydrophobicContact CE1-CB 4.13Å; Y146-C237 HydrophobicContact CG-CB 3.85Å; V149-C237 WeakPolarHBondContact CG1-O 3.3Å; L233-C237 HydrophobicContact CD2-CB 4.47Å; L233-C237 CarbonylContact O-C 3.46Å; L233-C237 VanDerWaalsContact O-CA 3.24Å; L233-C237 WeakPolarHBondContact O-CA 3.38Å; L233-C237 VanDerWaalsContact O-CB 3.25Å; L233-C237 WeakPolarHBondContact O-CB 3.29Å; L233-C237 PolarHBondContact O-N 3.43Å; C237-P241 WeakPolarHBondContact O-CG 3.16Å |
| 238 | F | 94 | Very high | 94 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 0% | 0.004 | 23% | 0.233 | C | C | . | . | I | π-helix | trans | -115.6 | -58.2 | 171.7 | 175.5 | -97.7 | 0 | 0 | 0 | 113 | Y146 V149 L233 F234 P241 F242 L281 L282 N285 | Y146-F238 HydrophobicContact CE1-CB 4.24Å; V149-F238 HydrophobicContact CG2-CD2 4.44Å; L233-F238 PolarHBondContact O-N 2.94Å; L233-F238 VanDerWaalsContact O-N 3.15Å; F234-F238 HydrophobicContact CD2-CD1 4.03Å; F234-F238 AromaticContact CE2-CD1 3.77Å; F234-F238 HydrophobicContact CE2-CD1 3.77Å; F234-F238 HydrophobicContact CE2-CE1 4.14Å; F234-F238 HydrophobicContact CZ-CD1 4.25Å; F234-F238 CarbonylContact O-C 3.59Å; F234-F238 WeakPolarHBondContact O-CB 3.45Å; F234-F238 PolarHBondContact O-N 3.38Å; F238-P241 WeakPolarHBondContact O-CD 3.49Å; F238-P241 WeakPolarHBondContact O-CG 3.44Å; F238-F242 HydrophobicContact CE1-CB 4.47Å; F238-F242 HydrophobicContact CE1-CD2 4.27Å; F238-F242 HydrophobicContact CE2-CD2 4.3Å; F238-F242 HydrophobicContact CZ-CB 4.34Å; F238-F242 AromaticContact CZ-CD2 3.66Å; F238-F242 HydrophobicContact CZ-CD2 3.66Å; F238-F242 HydrophobicContact CZ-CE2 4.4Å; F238-F242 HydrophobicContact CZ-CG 4.28Å; F238-F242 WeakPolarHBondContact O-CB 3.48Å; F238-F242 PolarHBondContact O-N 3.02Å; F238-L281 HydrophobicContact CE2-CB 4.15Å; F238-L282 HydrophobicContact CE1-CD1 3.58Å; F238-L282 HydrophobicContact CZ-CB 3.88Å; F238-L282 HydrophobicContact CZ-CD1 3.64Å; F238-L282 HydrophobicContact CZ-CG 4.4Å; F238-N285 HydrophobicContact CB-CB 4.47Å; F238-N285 HydrophobicContact CD1-CB 3.82Å; F238-N285 HydrophobicContact CD2-CB 3.98Å; F238-N285 HydrophobicContact CE1-CB 4.08Å; F238-N285 HydrophobicContact CE2-CB 4.22Å; F238-N285 HydrophobicContact CG-CB 3.79Å; F238-N285 HydrophobicContact CZ-CB 4.29Å |
| 239 | L | 94.3 | Very high | 94 | Very high | 67 Ų | 67 | 40.7 Ų | 40.7 | 35% | 0.351 | 22% | 0.216 | S | C | . | . | I | π-helix | trans | -65.1 | -45.8 | -171.6 | -178 | 62.6 | 0 | 0 | 0 | 112.9 | F234 F242 I243 | F234-L239 WeakPolarHBondContact O-CB 3.14Å; F234-L239 PolarHBondContact O-N 3.26Å; L239-F242 WeakPolarHBondContact O-CB 3.42Å; L239-F242 PolarHBondContact O-N 3.49Å; L239-I243 HydrophobicContact CD1-CD1 4.18Å; L239-I243 HydrophobicContact CD1-CG1 4.44Å; L239-I243 HydrophobicContact CG-CD1 4.06Å; L239-I243 VanDerWaalsContact O-CG1 3.3Å; L239-I243 WeakPolarHBondContact O-CG1 3.27Å; L239-I243 PolarHBondContact O-N 2.72Å |
| 240 | L | 94.6 | Very high | 94 | Very high | 83 Ų | 83 | 41.5 Ų | 41.5 | 44% | 0.435 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -58.7 | -55.8 | 176 | 173.6 | 60.5 | 0 | 0 | 0 | 112.8 | W150 T235 F242 I243 I244 | W150-L240 HydrophobicContact CH2-CD2 3.75Å; W150-L240 HydrophobicContact CH2-CG 4.07Å; W150-L240 HydrophobicContact CZ2-CD2 4.03Å; W150-L240 HydrophobicContact CZ2-CG 4.41Å; T235-L240 PolarHBondContact O-N 3.21Å; L240-F242 VanDerWaalsContact C-N 3.3Å; L240-F242 PolarHBondContact O-N 2.94Å; L240-I243 PolarHBondContact O-N 3Å; L240-I244 HydrophobicContact CD1-CD1 4.15Å; L240-I244 HydrophobicContact CG-CD1 4.28Å; L240-I244 WeakPolarHBondContact O-CG1 3.38Å; L240-I244 PolarHBondContact O-N 3.49Å; L240-I244 VanDerWaalsContact O-N 3.14Å |
| 241 | P | 94.2 | Very high | 94 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.9 | -30.9 | 175.1 | 20.6 | -29.7 | 0 | 0 | 0 | 113.4 | V149 W150 A153 C237 F238 I244 V245 | V149-P241 HydrophobicContact CG1-CB 3.66Å; V149-P241 HydrophobicContact CG1-CG 3.4Å; V149-P241 VanDerWaalsContact CG1-CG 3.4Å; W150-P241 HydrophobicContact CD2-CB 4.16Å; W150-P241 HydrophobicContact CD2-CG 4.18Å; W150-P241 HydrophobicContact CE3-CB 4.28Å; W150-P241 HydrophobicContact CG-CG 4.44Å; W150-P241 HydrophobicContact CZ2-CG 4.32Å; A153-P241 HydrophobicContact CB-CB 3.76Å; C237-P241 WeakPolarHBondContact O-CG 3.16Å; F238-P241 WeakPolarHBondContact O-CD 3.49Å; F238-P241 WeakPolarHBondContact O-CG 3.44Å; P241-I244 PolarHBondContact O-N 2.97Å; P241-V245 VanDerWaalsContact O-CG2 3.3Å; P241-V245 WeakPolarHBondContact O-CG2 3.44Å; P241-V245 PolarHBondContact O-N 2.96Å |
| 242 | F | 93.4 | Very high | 94 | Very high | 38 Ų | 38 | 41.2 Ų | 41.2 | 17% | 0.167 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.4 | -48.5 | 172.3 | 176.6 | -79.2 | 0 | 0 | 0 | 111.6 | F238 L239 L240 I244 V245 M246 F277 V278 L282 | F238-F242 HydrophobicContact CE1-CB 4.47Å; F238-F242 HydrophobicContact CE1-CD2 4.27Å; F238-F242 HydrophobicContact CE2-CD2 4.3Å; F238-F242 HydrophobicContact CZ-CB 4.34Å; F238-F242 AromaticContact CZ-CD2 3.66Å; F238-F242 HydrophobicContact CZ-CD2 3.66Å; F238-F242 HydrophobicContact CZ-CE2 4.4Å; F238-F242 HydrophobicContact CZ-CG 4.28Å; F238-F242 WeakPolarHBondContact O-CB 3.48Å; F238-F242 PolarHBondContact O-N 3.02Å; L239-F242 WeakPolarHBondContact O-CB 3.42Å; L239-F242 PolarHBondContact O-N 3.49Å; L240-F242 VanDerWaalsContact C-N 3.3Å; L240-F242 PolarHBondContact O-N 2.94Å; F242-I244 VanDerWaalsContact C-N 3.3Å; F242-I244 PolarHBondContact O-N 3.43Å; F242-V245 PolarHBondContact O-N 3.35Å; F242-M246 HydrophobicContact CD1-CG 3.99Å; F242-M246 HydrophobicContact CE1-CG 3.65Å; F242-M246 HydrophobicContact CE2-CG 4.37Å; F242-M246 HydrophobicContact CG-CG 4.48Å; F242-M246 HydrophobicContact CZ-CG 3.84Å; F242-M246 HydrophobicContact CZ-SD 4.4Å; F242-M246 WeakPolarHBondContact O-CB 3.16Å; F242-M246 VanDerWaalsContact O-CG 3.31Å; F242-M246 WeakPolarHBondContact O-CG 3.36Å; F242-M246 PolarHBondContact O-N 3.49Å; F242-F277 HydrophobicContact CB-CE1 3.97Å; F242-F277 HydrophobicContact CB-CZ 4.47Å; F242-F277 AromaticContact CD2-CD1 3.89Å; F242-F277 HydrophobicContact CD2-CD1 3.89Å; F242-F277 AromaticContact CD2-CE1 3.42Å; F242-F277 HydrophobicContact CD2-CE1 3.42Å; F242-F277 VanDerWaalsContact CD2-CE1 3.42Å; F242-F277 HydrophobicContact CD2-CZ 4.5Å; F242-F277 HydrophobicContact CE2-CD1 4.25Å; F242-F277 HydrophobicContact CE2-CE1 4.22Å; F242-F277 AromaticContact CG-CE1 4Å; F242-F277 HydrophobicContact CG-CE1 4Å; F242-V278 HydrophobicContact CE2-CG2 4.25Å; F242-V278 HydrophobicContact CZ-CG2 4.48Å; F242-L282 HydrophobicContact CE2-CB 4.32Å; F242-L282 HydrophobicContact CE2-CD1 4.4Å; F242-L282 HydrophobicContact CE2-CD2 4.18Å; F242-L282 HydrophobicContact CZ-CD2 4.33Å |
| 243 | I | 95.2 | Very high | 93.8 | Very high | 97 Ų | 97 | 39.2 Ų | 39.2 | 50% | 0.497 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -59.4 | -42.2 | 176.5 | -68 | 162.9 | 0 | 0 | 0 | 110.7 | L239 L240 F247 | L239-I243 HydrophobicContact CD1-CD1 4.18Å; L239-I243 HydrophobicContact CD1-CG1 4.44Å; L239-I243 HydrophobicContact CG-CD1 4.06Å; L239-I243 VanDerWaalsContact O-CG1 3.3Å; L239-I243 WeakPolarHBondContact O-CG1 3.27Å; L239-I243 PolarHBondContact O-N 2.72Å; L240-I243 PolarHBondContact O-N 3Å; I243-F247 VanDerWaalsContact O-CB 3.28Å; I243-F247 WeakPolarHBondContact O-CB 3.36Å; I243-F247 PolarHBondContact O-N 3.03Å |
| 244 | I | 95.9 | Very high | 93.7 | Very high | 49 Ų | 49 | 48.1 Ų | 48.1 | 25% | 0.251 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.5 | -48.1 | 177.5 | -66 | 166.6 | 0 | 0 | 0 | 111.4 | W150 A153 V157 L240 P241 F242 F247 C248 | W150-I244 HydrophobicContact CZ3-CD1 4.42Å; A153-I244 HydrophobicContact CB-CB 4.38Å; A153-I244 HydrophobicContact CB-CG2 4.1Å; V157-I244 HydrophobicContact CG2-CG2 3.57Å; L240-I244 HydrophobicContact CD1-CD1 4.15Å; L240-I244 HydrophobicContact CG-CD1 4.28Å; L240-I244 WeakPolarHBondContact O-CG1 3.38Å; L240-I244 PolarHBondContact O-N 3.49Å; L240-I244 VanDerWaalsContact O-N 3.14Å; P241-I244 PolarHBondContact O-N 2.97Å; F242-I244 VanDerWaalsContact C-N 3.3Å; F242-I244 PolarHBondContact O-N 3.43Å; I244-F247 PolarHBondContact O-N 3.29Å; I244-C248 VanDerWaalsContact O-CB 3.3Å; I244-C248 WeakPolarHBondContact O-CB 3.41Å; I244-C248 PolarHBondContact O-N 2.81Å; I244-C248 PolarHBondContact O-SG 2.94Å |
| 245 | V | 93.6 | Very high | 93.4 | Very high | 3 Ų | 3 | 48.1 Ų | 48.1 | 2% | 0.018 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60 | -49.5 | 178.3 | 169.1 | 0 | 0 | 0 | 0 | 110.5 | A153 A156 P241 F242 C248 H249 F277 | A153-V245 HydrophobicContact CB-CG2 3.89Å; A156-V245 HydrophobicContact CB-CG2 4.41Å; P241-V245 VanDerWaalsContact O-CG2 3.3Å; P241-V245 WeakPolarHBondContact O-CG2 3.44Å; P241-V245 PolarHBondContact O-N 2.96Å; F242-V245 PolarHBondContact O-N 3.35Å; V245-C248 PolarHBondContact O-N 2.95Å; V245-H249 WeakPolarHBondContact O-CB 3.34Å; V245-H249 PolarHBondContact O-N 2.71Å; V245-F277 HydrophobicContact CB-CE1 4.2Å; V245-F277 HydrophobicContact CB-CZ 4.38Å; V245-F277 HydrophobicContact CG1-CD1 4.11Å; V245-F277 HydrophobicContact CG1-CE1 4.15Å; V245-F277 HydrophobicContact CG1-CG 4.38Å; V245-F277 HydrophobicContact CG1-CZ 4.49Å; V245-F277 HydrophobicContact CG2-CE1 4.46Å; V245-F277 HydrophobicContact CG2-CE2 4.47Å; V245-F277 HydrophobicContact CG2-CZ 4.14Å |
| 246 | M | 94.1 | Very high | 93.2 | Very high | 48 Ų | 48 | 45.3 Ų | 45.3 | 24% | 0.236 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64 | -42.8 | -178.9 | -69.1 | -56 | -67 | 0 | 0 | 112.1 | F242 S250 I274 V278 | F242-M246 HydrophobicContact CD1-CG 3.99Å; F242-M246 HydrophobicContact CE1-CG 3.65Å; F242-M246 HydrophobicContact CE2-CG 4.37Å; F242-M246 HydrophobicContact CG-CG 4.48Å; F242-M246 HydrophobicContact CZ-CG 3.84Å; F242-M246 HydrophobicContact CZ-SD 4.4Å; F242-M246 WeakPolarHBondContact O-CB 3.16Å; F242-M246 VanDerWaalsContact O-CG 3.31Å; F242-M246 WeakPolarHBondContact O-CG 3.36Å; F242-M246 PolarHBondContact O-N 3.49Å; M246-S250 WeakPolarHBondContact O-CB 3.25Å; M246-S250 PolarHBondContact O-N 2.93Å; M246-S250 PolarHBondContact O-OG 2.7Å; M246-I274 HydrophobicContact CE-CG2 3.89Å; M246-I274 HydrophobicContact SD-CG2 3.93Å; M246-V278 HydrophobicContact SD-CG2 4.24Å |
| 247 | F | 95.8 | Very high | 93 | Very high | 122 Ų | 122 | 47 Ų | 47 | 54% | 0.535 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.1 | -52.2 | 174.2 | 173 | -97.2 | 0 | 0 | 0 | 111.7 | Y160 I243 I244 H249 S250 A251 | Y160-F247 HydrophobicContact CE1-CE1 4.35Å; Y160-F247 HydrophobicContact CE2-CE1 4.35Å; Y160-F247 AromaticContact CZ-CE1 4Å; I243-F247 VanDerWaalsContact O-CB 3.28Å; I243-F247 WeakPolarHBondContact O-CB 3.36Å; I243-F247 PolarHBondContact O-N 3.03Å; I244-F247 PolarHBondContact O-N 3.29Å; F247-H249 PolarHBondContact O-N 2.87Å; F247-S250 PolarHBondContact O-N 3.22Å; F247-A251 WeakPolarHBondContact O-CB 3.08Å; F247-A251 PolarHBondContact O-N 3.22Å |
| 248 | C | 95.1 | Very high | 92.7 | Very high | 4 Ų | 4 | 51 Ų | 51 | 3% | 0.027 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.5 | -48.3 | -177.3 | -71.4 | 0 | 0 | 0 | 0 | 111.7 | A156 Y160 I244 V245 A251 I252 | A156-C248 HydrophobicContact CB-CB 3.88Å; Y160-C248 HydrophobicContact CG-CB 4.45Å; I244-C248 VanDerWaalsContact O-CB 3.3Å; I244-C248 WeakPolarHBondContact O-CB 3.41Å; I244-C248 PolarHBondContact O-N 2.81Å; I244-C248 PolarHBondContact O-SG 2.94Å; V245-C248 PolarHBondContact O-N 2.95Å; C248-A251 PolarHBondContact O-N 2.97Å; C248-I252 WeakPolarHBondContact O-CB 3.33Å; C248-I252 WeakPolarHBondContact O-CD1 3.49Å; C248-I252 WeakPolarHBondContact O-CG1 3.42Å; C248-I252 PolarHBondContact O-N 2.68Å |
| 249 | H | 92.1 | Very high | 92.3 | Very high | 7 Ų | 7 | 55.7 Ų | 55.7 | 3% | 0.032 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -69.5 | -34.4 | 179.1 | -73.3 | -40.7 | 0 | 0 | 0 | 113 | V245 F247 I252 L253 T270 I274 | V245-H249 WeakPolarHBondContact O-CB 3.34Å; V245-H249 PolarHBondContact O-N 2.71Å; F247-H249 PolarHBondContact O-N 2.87Å; H249-I252 PolarHBondContact O-N 3.47Å; H249-L253 WeakPolarHBondContact O-CB 3.45Å; H249-L253 PolarHBondContact O-N 3.21Å; H249-T270 HydrophobicContact CB-CG2 3.98Å; H249-I274 HydrophobicContact CB-CD1 3.88Å; H249-I274 HydrophobicContact CB-CG1 3.83Å |
| 250 | S | 93.1 | Very high | 91.5 | Very high | 47 Ų | 47 | 54 Ų | 54 | 33% | 0.329 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.3 | -41.5 | 173 | -62.7 | 0 | 0 | 0 | 0 | 112 | M246 F247 L253 R254 | M246-S250 WeakPolarHBondContact O-CB 3.25Å; M246-S250 PolarHBondContact O-N 2.93Å; M246-S250 PolarHBondContact O-OG 2.7Å; F247-S250 PolarHBondContact O-N 3.22Å; S250-L253 PolarHBondContact O-N 3.39Å; S250-R254 WeakPolarHBondContact O-CG 3.25Å; S250-R254 PolarHBondContact O-N 3.18Å |
| 251 | A | 93.7 | Very high | 90.4 | Very high | 20 Ų | 20 | 61.2 Ų | 61.2 | 17% | 0.165 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -68.9 | -44.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y160 F247 C248 L253 R254 T255 | Y160-A251 HydrophobicContact CD2-CB 3.8Å; Y160-A251 HydrophobicContact CE2-CB 3.52Å; F247-A251 WeakPolarHBondContact O-CB 3.08Å; F247-A251 PolarHBondContact O-N 3.22Å; C248-A251 PolarHBondContact O-N 2.97Å; A251-L253 VanDerWaalsContact C-N 3.31Å; A251-L253 PolarHBondContact O-N 3.19Å; A251-R254 PolarHBondContact O-N 3.31Å; A251-T255 PolarHBondContact O-N 2.94Å; A251-T255 PolarHBondContact O-OG1 3.47Å |
| 252 | I | 91.4 | Very high | 89.6 | Confident | 8 Ų | 8 | 69 Ų | 69 | 4% | 0.041 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -55.8 | -47.5 | 172.4 | -68.7 | 161.3 | 0 | 0 | 0 | 110.2 | R159 C248 H249 R254 T255 L256 T270 | R159-I252 HydrophobicContact CB-CD1 3.85Å; C248-I252 WeakPolarHBondContact O-CB 3.33Å; C248-I252 WeakPolarHBondContact O-CD1 3.49Å; C248-I252 WeakPolarHBondContact O-CG1 3.42Å; C248-I252 PolarHBondContact O-N 2.68Å; H249-I252 PolarHBondContact O-N 3.47Å; I252-R254 PolarHBondContact O-N 3.42Å; I252-T255 PolarHBondContact O-N 2.86Å; I252-L256 HydrophobicContact CG2-CD1 3.7Å; I252-L256 HydrophobicContact CG2-CG 4.13Å; I252-L256 VanDerWaalsContact O-CG 3.3Å; I252-L256 WeakPolarHBondContact O-CG 3.07Å; I252-L256 PolarHBondContact O-N 3.2Å; I252-T270 HydrophobicContact CG2-CG2 4.33Å |
| 253 | L | 91.6 | Very high | 89.1 | Confident | 37 Ų | 37 | 70.1 Ų | 70.1 | 19% | 0.194 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.8 | -43.9 | -179.5 | 179.8 | 60.1 | 0 | 0 | 0 | 111.7 | H249 S250 A251 T255 L256 L257 I267 T270 V271 | H249-L253 WeakPolarHBondContact O-CB 3.45Å; H249-L253 PolarHBondContact O-N 3.21Å; S250-L253 PolarHBondContact O-N 3.39Å; A251-L253 VanDerWaalsContact C-N 3.31Å; A251-L253 PolarHBondContact O-N 3.19Å; L253-T255 PolarHBondContact O-N 3.49Å; L253-L256 PolarHBondContact O-N 2.83Å; L253-L257 HydrophobicContact CD1-CD1 3.94Å; L253-L257 HydrophobicContact CD1-CG 4.1Å; L253-L257 HydrophobicContact CG-CD1 3.86Å; L253-L257 HydrophobicContact CG-CG 4.46Å; L253-L257 WeakPolarHBondContact O-CB 3.47Å; L253-L257 VanDerWaalsContact O-CG 3.24Å; L253-L257 WeakPolarHBondContact O-CG 3.19Å; L253-L257 PolarHBondContact O-N 3.15Å; L253-I267 HydrophobicContact CD1-CB 4.42Å; L253-I267 HydrophobicContact CD1-CG1 4.31Å; L253-I267 HydrophobicContact CD1-CG2 3.77Å; L253-T270 HydrophobicContact CB-CG2 4.5Å; L253-V271 HydrophobicContact CD1-CG2 4.27Å; L253-V271 HydrophobicContact CD2-CG2 4.4Å |
| 254 | R | 91.9 | Very high | 88.5 | Confident | 195 Ų | 195 | 68.4 Ų | 68.4 | 74% | 0.736 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -58.6 | -46.5 | 174.2 | -74.3 | 174.3 | -178.2 | -170.5 | 0.8 | 112 | S250 A251 I252 L257 A258 | S250-R254 WeakPolarHBondContact O-CG 3.25Å; S250-R254 PolarHBondContact O-N 3.18Å; A251-R254 PolarHBondContact O-N 3.31Å; I252-R254 PolarHBondContact O-N 3.42Å; R254-L257 PolarHBondContact O-N 3.07Å; R254-A258 PolarHBondContact O-N 3.25Å; R254-A258 VanDerWaalsContact O-N 3.07Å |
| 255 | T | 89 | Confident | 87.9 | Confident | 41 Ų | 41 | 70.4 Ų | 70.4 | 25% | 0.252 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.9 | -45 | 177.6 | -55.6 | 0 | 0 | 0 | 0 | 112.1 | V163 A251 I252 L253 L257 A258 E259 | V163-T255 HydrophobicContact CG1-CG2 3.84Å; A251-T255 PolarHBondContact O-N 2.94Å; A251-T255 PolarHBondContact O-OG1 3.47Å; I252-T255 PolarHBondContact O-N 2.86Å; L253-T255 PolarHBondContact O-N 3.49Å; T255-L257 VanDerWaalsContact C-N 3.35Å; T255-L257 PolarHBondContact O-N 3.32Å; T255-A258 PolarHBondContact O-N 2.88Å; T255-E259 PolarHBondContact O-N 3.34Å |
| 256 | L | 88.4 | Confident | 87.4 | Confident | 13 Ų | 13 | 72 Ų | 72 | 7% | 0.068 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -66.5 | -34.8 | 179.3 | -66.1 | 176.6 | 0 | 0 | 0 | 112.8 | I252 L253 G260 Y263 A266 I267 | I252-L256 HydrophobicContact CG2-CD1 3.7Å; I252-L256 HydrophobicContact CG2-CG 4.13Å; I252-L256 VanDerWaalsContact O-CG 3.3Å; I252-L256 WeakPolarHBondContact O-CG 3.07Å; I252-L256 PolarHBondContact O-N 3.2Å; L253-L256 PolarHBondContact O-N 2.83Å; L256-G260 PolarHBondContact O-N 3.17Å; L256-Y263 HydrophobicContact CD2-CD1 4.07Å; L256-Y263 HydrophobicContact CD2-CG 4.04Å; L256-A266 HydrophobicContact CD1-CB 3.82Å; L256-A266 HydrophobicContact CD2-CB 4.38Å; L256-I267 HydrophobicContact CB-CD1 4.26Å; L256-I267 HydrophobicContact CB-CG1 3.69Å; L256-I267 HydrophobicContact CD1-CG1 4.35Å |
| 257 | L | 88.6 | Confident | 87 | Confident | 101 Ų | 101 | 71 Ų | 71 | 53% | 0.529 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -68.1 | -37.9 | 174.7 | -75.3 | 167.5 | 0 | 0 | 0 | 111.9 | L253 R254 T255 E259 G260 I267 | L253-L257 HydrophobicContact CD1-CD1 3.94Å; L253-L257 HydrophobicContact CD1-CG 4.1Å; L253-L257 HydrophobicContact CG-CD1 3.86Å; L253-L257 HydrophobicContact CG-CG 4.46Å; L253-L257 WeakPolarHBondContact O-CB 3.47Å; L253-L257 VanDerWaalsContact O-CG 3.24Å; L253-L257 WeakPolarHBondContact O-CG 3.19Å; L253-L257 PolarHBondContact O-N 3.15Å; R254-L257 PolarHBondContact O-N 3.07Å; T255-L257 VanDerWaalsContact C-N 3.35Å; T255-L257 PolarHBondContact O-N 3.32Å; L257-E259 VanDerWaalsContact C-N 3.32Å; L257-E259 PolarHBondContact O-N 3.45Å; L257-G260 PolarHBondContact O-N 2.73Å; L257-I267 HydrophobicContact CD2-CD1 3.85Å; L257-I267 HydrophobicContact CG-CD1 4.25Å |
| 258 | A | 87.9 | Confident | 86.5 | Confident | 89 Ų | 89 | 74.3 Ų | 74.3 | 74% | 0.736 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -63.6 | -33.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | R254 T255 G260 | R254-A258 PolarHBondContact O-N 3.25Å; R254-A258 VanDerWaalsContact O-N 3.07Å; T255-A258 PolarHBondContact O-N 2.88Å; A258-G260 VanDerWaalsContact C-N 3.27Å; A258-G260 PolarHBondContact O-N 2.97Å |
| 259 | E | 83.7 | Confident | 86.1 | Confident | 100 Ų | 100 | 74.5 Ų | 74.5 | 47% | 0.467 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 1.3 | 172.5 | -64.5 | -169.7 | -129.3 | 0 | 0 | 114.2 | T255 L257 Y263 | T255-E259 PolarHBondContact O-N 3.34Å; L257-E259 VanDerWaalsContact C-N 3.32Å; L257-E259 PolarHBondContact O-N 3.45Å; E259-Y263 HydrophobicContact CB-CD2 3.6Å; E259-Y263 HydrophobicContact CB-CE2 3.41Å; E259-Y263 VanDerWaalsContact CB-CE2 3.41Å; E259-Y263 HydrophobicContact CG-CE2 4.1Å; E259-Y263 WeakPolarHBondContact OE2-CE2 3.24Å; E259-Y263 PolarHBondContact OE2-OH 3.29Å |
| 260 | G | 78 | Confident | 85.8 | Confident | 31 Ų | 31 | 74.9 Ų | 74.9 | 32% | 0.32 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | 68 | -152 | 167.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | L256 L257 A258 K262 Y263 | L256-G260 PolarHBondContact O-N 3.17Å; L257-G260 PolarHBondContact O-N 2.73Å; A258-G260 VanDerWaalsContact C-N 3.27Å; A258-G260 PolarHBondContact O-N 2.97Å; G260-K262 PolarHBondContact O-N 2.84Å; G260-Y263 PolarHBondContact O-N 3.49Å; G260-Y263 VanDerWaalsContact O-N 3.16Å |
| 261 | R | 71.6 | Confident | 85.6 | Confident | 235 Ų | 235 | 75.2 Ų | 75.2 | 89% | 0.887 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -57.2 | -18.7 | -167.4 | -73.5 | -168.7 | -75.3 | -171.4 | -3.8 | 115.3 | Y263 C264 | R261-Y263 PolarHBondContact O-N 2.93Å; R261-C264 PolarHBondContact O-N 2.91Å; R261-C264 PolarHBondContact O-SG 3.32Å; R261-C264 VanDerWaalsContact O-SG 3.42Å |
| 262 | K | 77.8 | Confident | 85.3 | Confident | 163 Ų | 163 | 77.8 Ų | 77.8 | 71% | 0.709 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -60.5 | -24.1 | 177.7 | -174.6 | 177.6 | 171.8 | -160.6 | 0 | 113.3 | G260 | G260-K262 PolarHBondContact O-N 2.84Š|
| 263 | Y | 82.6 | Confident | 85 | Confident | 63 Ų | 63 | 78.8 Ų | 78.8 | 25% | 0.247 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | -119.3 | 16.6 | -175.6 | -56.3 | -87.6 | 0 | 0 | 0 | 115 | L256 E259 G260 R261 H265 A266 I267 | L256-Y263 HydrophobicContact CD2-CD1 4.07Å; L256-Y263 HydrophobicContact CD2-CG 4.04Å; E259-Y263 HydrophobicContact CB-CD2 3.6Å; E259-Y263 HydrophobicContact CB-CE2 3.41Å; E259-Y263 VanDerWaalsContact CB-CE2 3.41Å; E259-Y263 HydrophobicContact CG-CE2 4.1Å; E259-Y263 WeakPolarHBondContact OE2-CE2 3.24Å; E259-Y263 PolarHBondContact OE2-OH 3.29Å; G260-Y263 PolarHBondContact O-N 3.49Å; G260-Y263 VanDerWaalsContact O-N 3.16Å; R261-Y263 PolarHBondContact O-N 2.93Å; Y263-H265 PolarHBondContact O-N 3.37Å; Y263-A266 PolarHBondContact O-N 3.41Å; Y263-I267 PolarHBondContact O-N 3.14Å |
| 264 | C | 83.4 | Confident | 85 | Confident | 60 Ų | 60 | 78.3 Ų | 78.3 | 41% | 0.405 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -47.4 | -36.8 | 177.2 | -74 | 0 | 0 | 0 | 0 | 113.8 | R261 R268 | R261-C264 PolarHBondContact O-N 2.91Å; R261-C264 PolarHBondContact O-SG 3.32Å; R261-C264 VanDerWaalsContact O-SG 3.42Å; C264-R268 WeakPolarHBondContact O-CG 3.45Å; C264-R268 PolarHBondContact O-N 2.93Å |
| 265 | H | 82.3 | Confident | 84.8 | Confident | 92 Ų | 92 | 73.7 Ų | 73.7 | 43% | 0.426 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.5 | -47.9 | 175.4 | -176.6 | 71.7 | 0 | 0 | 0 | 112.8 | Y263 I267 R268 V269 F326 | Y263-H265 PolarHBondContact O-N 3.37Å; H265-I267 VanDerWaalsContact C-N 3.31Å; H265-I267 PolarHBondContact O-N 3.44Å; H265-R268 PolarHBondContact O-N 3.41Å; H265-V269 WeakPolarHBondContact O-CG2 3.26Å; H265-V269 PolarHBondContact O-N 3.33Å; H265-V269 VanDerWaalsContact O-N 3.08Å; H265-F326 AromaticContact CE1-CD1 3.78Å; H265-F326 PolarHBondContact NE2-O 3.4Å |
| 266 | A | 83.1 | Confident | 84.7 | Confident | 36 Ų | 36 | 72.5 Ų | 72.5 | 30% | 0.298 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -67.1 | -33.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L256 Y263 T270 | L256-A266 HydrophobicContact CD1-CB 3.82Å; L256-A266 HydrophobicContact CD2-CB 4.38Å; Y263-A266 PolarHBondContact O-N 3.41Å; A266-T270 WeakPolarHBondContact O-CB 3.41Å; A266-T270 PolarHBondContact O-N 2.58Å; A266-T270 PolarHBondContact O-OG1 3.44Å |
| 267 | I | 85.9 | Confident | 84.6 | Confident | 26 Ų | 26 | 72.1 Ų | 72.1 | 13% | 0.133 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.3 | -53.8 | 171.2 | -69.7 | 162.5 | 0 | 0 | 0 | 110.2 | L253 L256 L257 Y263 H265 V269 T270 V271 | L253-I267 HydrophobicContact CD1-CB 4.42Å; L253-I267 HydrophobicContact CD1-CG1 4.31Å; L253-I267 HydrophobicContact CD1-CG2 3.77Å; L256-I267 HydrophobicContact CB-CD1 4.26Å; L256-I267 HydrophobicContact CB-CG1 3.69Å; L256-I267 HydrophobicContact CD1-CG1 4.35Å; L257-I267 HydrophobicContact CD2-CD1 3.85Å; L257-I267 HydrophobicContact CG-CD1 4.25Å; Y263-I267 PolarHBondContact O-N 3.14Å; H265-I267 VanDerWaalsContact C-N 3.31Å; H265-I267 PolarHBondContact O-N 3.44Å; I267-V269 VanDerWaalsContact C-N 3.3Å; I267-V269 PolarHBondContact O-N 3.47Å; I267-T270 PolarHBondContact O-N 2.78Å; I267-T270 VanDerWaalsContact O-N 3.11Å; I267-V271 HydrophobicContact CG2-CG2 4.45Å; I267-V271 WeakPolarHBondContact O-CG2 3.26Å; I267-V271 PolarHBondContact O-N 3.23Å |
| 268 | R | 86.1 | Confident | 84.6 | Confident | 192 Ų | 192 | 69.6 Ų | 69.6 | 73% | 0.725 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -55.1 | -43.8 | 178.6 | -77.4 | 176 | 178.7 | -178.6 | -1.3 | 112.4 | C264 H265 V271 L272 | C264-R268 WeakPolarHBondContact O-CG 3.45Å; C264-R268 PolarHBondContact O-N 2.93Å; H265-R268 PolarHBondContact O-N 3.41Å; R268-V271 PolarHBondContact O-N 3.31Å; R268-L272 WeakPolarHBondContact O-CB 3.36Å; R268-L272 PolarHBondContact O-N 3.33Å |
| 269 | V | 85.9 | Confident | 84.6 | Confident | 9 Ų | 9 | 70 Ų | 70 | 6% | 0.055 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -69.9 | -37.6 | 178.7 | -175.8 | 0 | 0 | 0 | 0 | 111.9 | H265 I267 L272 M273 I323 F326 V327 | H265-V269 WeakPolarHBondContact O-CG2 3.26Å; H265-V269 PolarHBondContact O-N 3.33Å; H265-V269 VanDerWaalsContact O-N 3.08Å; I267-V269 VanDerWaalsContact C-N 3.3Å; I267-V269 PolarHBondContact O-N 3.47Å; V269-L272 PolarHBondContact O-N 2.85Å; V269-M273 WeakPolarHBondContact O-CG 2.98Å; V269-M273 PolarHBondContact O-N 3.38Å; V269-I323 HydrophobicContact CG1-CG2 4.11Å; V269-F326 HydrophobicContact CG2-CB 3.65Å; V269-V327 HydrophobicContact CB-CG2 4.31Å; V269-V327 HydrophobicContact CG1-CG2 3.46Å; V269-V327 VanDerWaalsContact CG1-CG2 3.46Å |
| 270 | T | 86.4 | Confident | 84.7 | Confident | 14 Ų | 14 | 65.6 Ų | 65.6 | 9% | 0.086 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.7 | -41.8 | 175.8 | -55 | 0 | 0 | 0 | 0 | 111.4 | H249 I252 L253 A266 I267 M273 I274 | H249-T270 HydrophobicContact CB-CG2 3.98Å; I252-T270 HydrophobicContact CG2-CG2 4.33Å; L253-T270 HydrophobicContact CB-CG2 4.5Å; A266-T270 WeakPolarHBondContact O-CB 3.41Å; A266-T270 PolarHBondContact O-N 2.58Å; A266-T270 PolarHBondContact O-OG1 3.44Å; I267-T270 PolarHBondContact O-N 2.78Å; I267-T270 VanDerWaalsContact O-N 3.11Å; T270-M273 PolarHBondContact O-N 2.88Å; T270-I274 WeakPolarHBondContact O-CG1 3.14Å; T270-I274 PolarHBondContact O-N 2.04Å; T270-I274 VanDerWaalsContact O-N 3.14Å |
| 271 | V | 88.4 | Confident | 85.2 | Confident | 55 Ų | 55 | 64.3 Ų | 64.3 | 33% | 0.333 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 173.9 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | L253 I267 R268 M273 I274 L275 | L253-V271 HydrophobicContact CD1-CG2 4.27Å; L253-V271 HydrophobicContact CD2-CG2 4.4Å; I267-V271 HydrophobicContact CG2-CG2 4.45Å; I267-V271 WeakPolarHBondContact O-CG2 3.26Å; I267-V271 PolarHBondContact O-N 3.23Å; R268-V271 PolarHBondContact O-N 3.31Å; V271-M273 VanDerWaalsContact C-N 3.34Å; V271-M273 PolarHBondContact O-N 3.15Å; V271-I274 PolarHBondContact O-N 3.17Å; V271-L275 HydrophobicContact CG1-CD1 3.87Å; V271-L275 HydrophobicContact CG1-CG 4.25Å; V271-L275 WeakPolarHBondContact O-CG 3.3Å; V271-L275 PolarHBondContact O-N 2.94Å |
| 272 | L | 86.9 | Confident | 86.1 | Confident | 73 Ų | 73 | 55.6 Ų | 55.6 | 38% | 0.382 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.9 | -41.6 | 175.6 | -175.6 | 64.1 | 0 | 0 | 0 | 111.9 | R268 V269 I274 L275 V276 | R268-L272 WeakPolarHBondContact O-CB 3.36Å; R268-L272 PolarHBondContact O-N 3.33Å; V269-L272 PolarHBondContact O-N 2.85Å; L272-I274 PolarHBondContact O-N 3.03Å; L272-L275 PolarHBondContact O-N 3.22Å; L272-V276 HydrophobicContact CD1-CG2 4.08Å; L272-V276 HydrophobicContact CG-CG2 4.31Å; L272-V276 WeakPolarHBondContact O-CB 3.5Å; L272-V276 VanDerWaalsContact O-CG2 3.31Å; L272-V276 WeakPolarHBondContact O-CG2 3.31Å; L272-V276 PolarHBondContact O-N 3.02Å |
| 273 | M | 86.4 | Confident | 86.8 | Confident | 29 Ų | 29 | 50.2 Ų | 50.2 | 14% | 0.143 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.1 | -43.6 | 175.2 | -71.5 | 179.2 | 75.8 | 0 | 0 | 112.1 | V269 T270 V271 F277 I323 | V269-M273 WeakPolarHBondContact O-CG 2.98Å; V269-M273 PolarHBondContact O-N 3.38Å; T270-M273 PolarHBondContact O-N 2.88Å; V271-M273 VanDerWaalsContact C-N 3.34Å; V271-M273 PolarHBondContact O-N 3.15Å; M273-F277 VanDerWaalsContact O-CB 3.28Å; M273-F277 WeakPolarHBondContact O-CB 3.23Å; M273-F277 PolarHBondContact O-N 2.04Å; M273-F277 VanDerWaalsContact O-N 3.11Å; M273-I323 HydrophobicContact CE-CG2 4.3Å; M273-I323 HydrophobicContact CG-CD1 4.01Å; M273-I323 HydrophobicContact CG-CG1 4.32Å; M273-I323 HydrophobicContact CG-CG2 3.9Å; M273-I323 HydrophobicContact SD-CG2 3.73Å |
| 274 | I | 89.9 | Confident | 87.2 | Confident | 28 Ų | 28 | 47.2 Ų | 47.2 | 14% | 0.144 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.4 | -50 | 174.7 | -65 | 166.5 | 0 | 0 | 0 | 110.5 | M246 H249 T270 V271 L272 V276 F277 V278 | M246-I274 HydrophobicContact CE-CG2 3.89Å; M246-I274 HydrophobicContact SD-CG2 3.93Å; H249-I274 HydrophobicContact CB-CD1 3.88Å; H249-I274 HydrophobicContact CB-CG1 3.83Å; T270-I274 WeakPolarHBondContact O-CG1 3.14Å; T270-I274 PolarHBondContact O-N 2.04Å; T270-I274 VanDerWaalsContact O-N 3.14Å; V271-I274 PolarHBondContact O-N 3.17Å; L272-I274 PolarHBondContact O-N 3.03Å; I274-V276 PolarHBondContact O-N 3.45Å; I274-F277 PolarHBondContact O-N 3.47Å; I274-V278 HydrophobicContact CG2-CG2 4.17Å; I274-V278 WeakPolarHBondContact O-CB 3.45Å; I274-V278 WeakPolarHBondContact O-CG2 3.39Å; I274-V278 PolarHBondContact O-N 2.95Å |
| 275 | L | 89.3 | Confident | 87.7 | Confident | 98 Ų | 98 | 44.3 Ų | 44.3 | 51% | 0.513 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.4 | -47.3 | -177.4 | -74.5 | 172.4 | 0 | 0 | 0 | 111.9 | V271 L272 F277 V278 V279 | V271-L275 HydrophobicContact CG1-CD1 3.87Å; V271-L275 HydrophobicContact CG1-CG 4.25Å; V271-L275 WeakPolarHBondContact O-CG 3.3Å; V271-L275 PolarHBondContact O-N 2.94Å; L272-L275 PolarHBondContact O-N 3.22Å; L275-F277 PolarHBondContact O-N 3.09Å; L275-V278 PolarHBondContact O-N 2.97Å; L275-V279 VanDerWaalsContact O-CB 3.29Å; L275-V279 WeakPolarHBondContact O-CB 3.48Å; L275-V279 VanDerWaalsContact O-CG2 3.26Å; L275-V279 WeakPolarHBondContact O-CG2 3.47Å; L275-V279 PolarHBondContact O-N 3.34Å |
| 276 | V | 87 | Confident | 88.1 | Confident | 16 Ų | 16 | 42.6 Ų | 42.6 | 10% | 0.097 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.4 | -46.8 | 177.6 | 175.5 | 0 | 0 | 0 | 0 | 110.1 | L272 I274 V278 V279 S280 N316 F319 | L272-V276 HydrophobicContact CD1-CG2 4.08Å; L272-V276 HydrophobicContact CG-CG2 4.31Å; L272-V276 WeakPolarHBondContact O-CB 3.5Å; L272-V276 VanDerWaalsContact O-CG2 3.31Å; L272-V276 WeakPolarHBondContact O-CG2 3.31Å; L272-V276 PolarHBondContact O-N 3.02Å; I274-V276 PolarHBondContact O-N 3.45Å; V276-V278 PolarHBondContact O-N 3.14Å; V276-V279 PolarHBondContact O-N 3.39Å; V276-S280 VanDerWaalsContact O-CB 3.31Å; V276-S280 WeakPolarHBondContact O-CB 3.31Å; V276-S280 PolarHBondContact O-N 3.23Å; V276-S280 PolarHBondContact O-OG 3.13Å; V276-N316 WeakPolarHBondContact CG1-OD1 3.43Å; V276-F319 HydrophobicContact CG1-CD2 3.65Å; V276-F319 HydrophobicContact CG1-CE2 4.18Å; V276-F319 HydrophobicContact CG1-CG 4.33Å; V276-F319 HydrophobicContact CG2-CD2 4.08Å; V276-F319 HydrophobicContact CG2-CE2 4.31Å; V276-F319 HydrophobicContact CG2-CG 4.25Å |
| 277 | F | 85 | Confident | 88.5 | Confident | 5 Ų | 5 | 42.5 Ų | 42.5 | 2% | 0.022 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62 | -42.7 | -179.6 | -166 | -101.8 | 0 | 0 | 0 | 112.5 | V149 L152 F242 V245 M273 I274 L275 L281 | V149-F277 HydrophobicContact CG1-CE2 4.42Å; V149-F277 HydrophobicContact CG1-CZ 4.15Å; V149-F277 HydrophobicContact CG2-CE2 4.03Å; V149-F277 HydrophobicContact CG2-CZ 4.34Å; L152-F277 HydrophobicContact CD1-CD2 3.94Å; L152-F277 HydrophobicContact CD1-CE2 4.04Å; F242-F277 HydrophobicContact CB-CE1 3.97Å; F242-F277 HydrophobicContact CB-CZ 4.47Å; F242-F277 AromaticContact CD2-CD1 3.89Å; F242-F277 HydrophobicContact CD2-CD1 3.89Å; F242-F277 AromaticContact CD2-CE1 3.42Å; F242-F277 HydrophobicContact CD2-CE1 3.42Å; F242-F277 VanDerWaalsContact CD2-CE1 3.42Å; F242-F277 HydrophobicContact CD2-CZ 4.5Å; F242-F277 HydrophobicContact CE2-CD1 4.25Å; F242-F277 HydrophobicContact CE2-CE1 4.22Å; F242-F277 AromaticContact CG-CE1 4Å; F242-F277 HydrophobicContact CG-CE1 4Å; V245-F277 HydrophobicContact CB-CE1 4.2Å; V245-F277 HydrophobicContact CB-CZ 4.38Å; V245-F277 HydrophobicContact CG1-CD1 4.11Å; V245-F277 HydrophobicContact CG1-CE1 4.15Å; V245-F277 HydrophobicContact CG1-CG 4.38Å; V245-F277 HydrophobicContact CG1-CZ 4.49Å; V245-F277 HydrophobicContact CG2-CE1 4.46Å; V245-F277 HydrophobicContact CG2-CE2 4.47Å; V245-F277 HydrophobicContact CG2-CZ 4.14Å; M273-F277 VanDerWaalsContact O-CB 3.28Å; M273-F277 WeakPolarHBondContact O-CB 3.23Å; M273-F277 PolarHBondContact O-N 2.04Å; M273-F277 VanDerWaalsContact O-N 3.11Å; I274-F277 PolarHBondContact O-N 3.47Å; L275-F277 PolarHBondContact O-N 3.09Å; F277-L281 HydrophobicContact CD2-CD1 3.45Å; F277-L281 VanDerWaalsContact CD2-CD1 3.45Å; F277-L281 HydrophobicContact CE2-CD1 3.68Å; F277-L281 HydrophobicContact CG-CD1 4.28Å; F277-L281 WeakPolarHBondContact O-CB 3.16Å; F277-L281 PolarHBondContact O-N 3.5Å |
| 278 | V | 89.1 | Confident | 88.7 | Confident | 48 Ų | 48 | 41.3 Ų | 41.3 | 29% | 0.291 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -72.3 | -38.3 | 178.2 | 172.9 | 0 | 0 | 0 | 0 | 112.4 | F242 M246 I274 L275 V276 L282 P283 | F242-V278 HydrophobicContact CE2-CG2 4.25Å; F242-V278 HydrophobicContact CZ-CG2 4.48Å; M246-V278 HydrophobicContact SD-CG2 4.24Å; I274-V278 HydrophobicContact CG2-CG2 4.17Å; I274-V278 WeakPolarHBondContact O-CB 3.45Å; I274-V278 WeakPolarHBondContact O-CG2 3.39Å; I274-V278 PolarHBondContact O-N 2.95Å; L275-V278 PolarHBondContact O-N 2.97Å; V276-V278 PolarHBondContact O-N 3.14Å; V278-L282 HydrophobicContact CG1-CD2 4.34Å; V278-L282 WeakPolarHBondContact O-CB 3.43Å; V278-P283 WeakPolarHBondContact O-CD 3.33Å |
| 279 | V | 88.4 | Confident | 88.9 | Confident | 97 Ų | 97 | 33.8 Ų | 33.8 | 59% | 0.588 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -82 | -34.3 | -176.8 | 174.1 | 0 | 0 | 0 | 0 | 112.4 | L275 V276 P283 | L275-V279 VanDerWaalsContact O-CB 3.29Å; L275-V279 WeakPolarHBondContact O-CB 3.48Å; L275-V279 VanDerWaalsContact O-CG2 3.26Å; L275-V279 WeakPolarHBondContact O-CG2 3.47Å; L275-V279 PolarHBondContact O-N 3.34Å; V276-V279 PolarHBondContact O-N 3.39Å; V279-P283 WeakPolarHBondContact O-CG 3.38Å |
| 280 | S | 86.1 | Confident | 88.9 | Confident | 8 Ų | 8 | 35.4 Ų | 35.4 | 6% | 0.056 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -95.4 | -35.4 | -173.7 | 67.4 | 0 | 0 | 0 | 0 | 114.5 | V276 S313 | V276-S280 VanDerWaalsContact O-CB 3.31Å; V276-S280 WeakPolarHBondContact O-CB 3.31Å; V276-S280 PolarHBondContact O-N 3.23Å; V276-S280 PolarHBondContact O-OG 3.13Å; S280-S313 WeakPolarHBondContact O-CA 3.46Å; S280-S313 WeakPolarHBondContact O-CB 3.42Å |
| 281 | L | 87.9 | Confident | 88.7 | Confident | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | -34.5 | -171.2 | -66.7 | 160.2 | 0 | 0 | 0 | 113.6 | M145 V149 F238 F277 N285 | M145-L281 HydrophobicContact CG-CD2 4.1Å; V149-L281 HydrophobicContact CG2-CD1 3.96Å; V149-L281 HydrophobicContact CG2-CD2 4.27Å; F238-L281 HydrophobicContact CE2-CB 4.15Å; F277-L281 HydrophobicContact CD2-CD1 3.45Å; F277-L281 VanDerWaalsContact CD2-CD1 3.45Å; F277-L281 HydrophobicContact CE2-CD1 3.68Å; F277-L281 HydrophobicContact CG-CD1 4.28Å; F277-L281 WeakPolarHBondContact O-CB 3.16Å; F277-L281 PolarHBondContact O-N 3.5Å; L281-N285 PolarHBondContact O-N 2.58Å; L281-N285 PolarHBondContact O-ND2 2.71Å |
| 282 | L | 91.3 | Very high | 88.3 | Confident | 51 Ų | 51 | 33 Ų | 33 | 27% | 0.267 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -67.9 | -51.4 | -179.8 | 174.7 | 68.6 | 0 | 0 | 0 | 112.8 | F238 F242 V278 C284 N285 V286 | F238-L282 HydrophobicContact CE1-CD1 3.58Å; F238-L282 HydrophobicContact CZ-CB 3.88Å; F238-L282 HydrophobicContact CZ-CD1 3.64Å; F238-L282 HydrophobicContact CZ-CG 4.4Å; F242-L282 HydrophobicContact CE2-CB 4.32Å; F242-L282 HydrophobicContact CE2-CD1 4.4Å; F242-L282 HydrophobicContact CE2-CD2 4.18Å; F242-L282 HydrophobicContact CZ-CD2 4.33Å; V278-L282 HydrophobicContact CG1-CD2 4.34Å; V278-L282 WeakPolarHBondContact O-CB 3.43Å; L282-C284 VanDerWaalsContact C-N 3.27Å; L282-C284 PolarHBondContact O-N 3.48Å; L282-N285 PolarHBondContact O-N 3Å; L282-V286 HydrophobicContact CD1-CG2 3.73Å; L282-V286 HydrophobicContact CG-CG2 4.29Å; L282-V286 WeakPolarHBondContact O-CG2 3.41Å; L282-V286 PolarHBondContact O-N 3.43Å |
| 283 | P | 91.9 | Very high | 88 | Confident | 50 Ų | 50 | 31.2 Ų | 31.2 | 33% | 0.325 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -55.3 | -41.8 | 175.8 | -29.5 | 36.5 | 0 | 0 | 0 | 112.8 | V278 V279 N285 V286 L287 S309 | V278-P283 WeakPolarHBondContact O-CD 3.33Å; V279-P283 WeakPolarHBondContact O-CG 3.38Å; P283-N285 PolarHBondContact O-N 3.15Å; P283-V286 PolarHBondContact O-N 3.49Å; P283-L287 VanDerWaalsContact O-CB 3.23Å; P283-L287 WeakPolarHBondContact O-CB 3.39Å; P283-L287 VanDerWaalsContact O-CG 3.25Å; P283-L287 WeakPolarHBondContact O-CG 3.37Å; P283-L287 PolarHBondContact O-N 2.95Å; P283-S309 WeakPolarHBondContact CB-OG 3.39Å |
| 284 | C | 91.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.2 | -46.3 | 180 | -179.2 | 0 | 0 | 0 | 0 | 111.7 | L282 L288 S309 | L282-C284 VanDerWaalsContact C-N 3.27Å; L282-C284 PolarHBondContact O-N 3.48Å; C284-L288 WeakPolarHBondContact O-CB 3.12Å; C284-L288 PolarHBondContact O-N 3.37Å; C284-S309 VanDerWaalsContact CA-OG 3.22Å; C284-S309 WeakPolarHBondContact CA-OG 3.41Å; C284-S309 PolarHBondContact N-OG 3.34Å |
| 285 | N | 92.2 | Very high | 85.9 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -73.1 | -32.1 | -178.4 | -80.7 | -89.7 | 0 | 0 | 0 | 112.4 | M145 F234 F238 L281 L282 P283 I289 | M145-N285 WeakPolarHBondContact CE-OD1 3.26Å; M145-N285 PolarHBondContact SD-ND2 3.47Å; F234-N285 HydrophobicContact CD2-CB 3.91Å; F234-N285 WeakPolarHBondContact CD2-O 3.47Å; F234-N285 HydrophobicContact CE2-CB 4.02Å; F238-N285 HydrophobicContact CB-CB 4.47Å; F238-N285 HydrophobicContact CD1-CB 3.82Å; F238-N285 HydrophobicContact CD2-CB 3.98Å; F238-N285 HydrophobicContact CE1-CB 4.08Å; F238-N285 HydrophobicContact CE2-CB 4.22Å; F238-N285 HydrophobicContact CG-CB 3.79Å; F238-N285 HydrophobicContact CZ-CB 4.29Å; L281-N285 PolarHBondContact O-N 2.58Å; L281-N285 PolarHBondContact O-ND2 2.71Å; L282-N285 PolarHBondContact O-N 3Å; P283-N285 PolarHBondContact O-N 3.15Å; N285-I289 PolarHBondContact O-N 3.46Å |
| 286 | V | 92 | Very high | 84.6 | Confident | 56 Ų | 56 | 36.8 Ų | 36.8 | 34% | 0.339 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -71.4 | -49.2 | 174.2 | 171.9 | 0 | 0 | 0 | 0 | 111 | F234 L282 P283 L288 I289 L290 | F234-V286 HydrophobicContact CE2-CG2 4.2Å; F234-V286 HydrophobicContact CZ-CG2 4.46Å; L282-V286 HydrophobicContact CD1-CG2 3.73Å; L282-V286 HydrophobicContact CG-CG2 4.29Å; L282-V286 WeakPolarHBondContact O-CG2 3.41Å; L282-V286 PolarHBondContact O-N 3.43Å; P283-V286 PolarHBondContact O-N 3.49Å; V286-L288 VanDerWaalsContact C-N 3.29Å; V286-L288 PolarHBondContact O-N 2.95Å; V286-I289 PolarHBondContact O-N 3.19Å; V286-I289 VanDerWaalsContact O-N 3.16Å; V286-L290 HydrophobicContact CG1-CD1 3.85Å; V286-L290 HydrophobicContact CG1-CG 4.36Å; V286-L290 WeakPolarHBondContact O-CG 3.31Å; V286-L290 PolarHBondContact O-N 3.03Å |
| 287 | L | 90.9 | Very high | 82.7 | Confident | 33 Ų | 33 | 41.2 Ų | 41.2 | 17% | 0.173 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.3 | -36.1 | 178 | -72.4 | 167 | 0 | 0 | 0 | 112 | P283 I289 L290 T291 L302 P305 Y306 | P283-L287 VanDerWaalsContact O-CB 3.23Å; P283-L287 WeakPolarHBondContact O-CB 3.39Å; P283-L287 VanDerWaalsContact O-CG 3.25Å; P283-L287 WeakPolarHBondContact O-CG 3.37Å; P283-L287 PolarHBondContact O-N 2.95Å; L287-I289 PolarHBondContact O-N 3.09Å; L287-L290 PolarHBondContact O-N 2.77Å; L287-T291 VanDerWaalsContact O-CB 3.27Å; L287-T291 WeakPolarHBondContact O-CB 3.42Å; L287-T291 PolarHBondContact O-N 3.24Å; L287-T291 PolarHBondContact O-OG1 3.47Å; L287-L302 HydrophobicContact CD2-CD2 4.49Å; L287-P305 HydrophobicContact CD1-CB 4.37Å; L287-P305 HydrophobicContact CD2-CB 4.39Å; L287-Y306 HydrophobicContact CB-CD2 4.4Å |
| 288 | L | 89.7 | Confident | 81.3 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -55 | -49.2 | 172.5 | 176.5 | 65.5 | 0 | 0 | 0 | 111.5 | Y142 F230 C284 V286 Y292 Y306 | Y142-L288 HydrophobicContact CE1-CD1 4.35Å; Y142-L288 HydrophobicContact CE1-CD2 4.16Å; F230-L288 HydrophobicContact CD1-CD1 4.42Å; F230-L288 HydrophobicContact CD1-CD2 3.74Å; F230-L288 HydrophobicContact CD1-CG 4.37Å; F230-L288 HydrophobicContact CE1-CD2 4.18Å; F230-L288 HydrophobicContact CG-CD2 4.39Å; C284-L288 WeakPolarHBondContact O-CB 3.12Å; C284-L288 PolarHBondContact O-N 3.37Å; V286-L288 VanDerWaalsContact C-N 3.29Å; V286-L288 PolarHBondContact O-N 2.95Å; L288-Y292 HydrophobicContact CD1-CD2 3.8Å; L288-Y292 HydrophobicContact CD1-CE2 3.79Å; L288-Y292 HydrophobicContact CG-CD2 4.32Å; L288-Y292 WeakPolarHBondContact O-CB 3.33Å; L288-Y292 WeakPolarHBondContact O-CD2 3.37Å; L288-Y292 PolarHBondContact O-N 3.25Å; L288-Y292 VanDerWaalsContact O-N 3.08Å; L288-Y306 HydrophobicContact CB-CD2 4.16Å; L288-Y306 HydrophobicContact CB-CE2 3.83Å; L288-Y306 HydrophobicContact CD1-CE2 3.68Å; L288-Y306 HydrophobicContact CG-CE2 4.34Å |
| 289 | I | 90.1 | Very high | 79.7 | Confident | 34 Ų | 34 | 48.3 Ų | 48.3 | 17% | 0.174 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.7 | -46.2 | 178.8 | -64.6 | -57.2 | 0 | 0 | 0 | 111.4 | F230 A231 F234 N285 V286 L287 T291 Y292 S293 | F230-I289 HydrophobicContact CB-CD1 4.25Å; A231-I289 HydrophobicContact CB-CD1 4.37Å; F234-I289 HydrophobicContact CB-CD1 3.82Å; F234-I289 HydrophobicContact CB-CG1 3.84Å; F234-I289 HydrophobicContact CD2-CG1 3.73Å; F234-I289 HydrophobicContact CE2-CG1 4.45Å; F234-I289 HydrophobicContact CG-CD1 4.32Å; F234-I289 HydrophobicContact CG-CG1 3.78Å; N285-I289 PolarHBondContact O-N 3.46Å; V286-I289 PolarHBondContact O-N 3.19Å; V286-I289 VanDerWaalsContact O-N 3.16Å; L287-I289 PolarHBondContact O-N 3.09Å; I289-T291 VanDerWaalsContact C-N 3.3Å; I289-T291 PolarHBondContact O-N 3.29Å; I289-Y292 CarbonylContact O-C 3.52Å; I289-Y292 PolarHBondContact O-N 2.75Å; I289-S293 WeakPolarHBondContact O-CB 3.42Å; I289-S293 PolarHBondContact O-N 2.89Å; I289-S293 PolarHBondContact O-OG 3.25Å; I289-S293 VanDerWaalsContact O-OG 3.12Å |
| 290 | L | 87.4 | Confident | 78.5 | Confident | 44 Ų | 44 | 50 Ų | 50 | 23% | 0.23 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61 | -38 | 179.7 | -67.3 | 173.2 | 0 | 0 | 0 | 112.7 | V286 L287 D294 W296 L302 | V286-L290 HydrophobicContact CG1-CD1 3.85Å; V286-L290 HydrophobicContact CG1-CG 4.36Å; V286-L290 WeakPolarHBondContact O-CG 3.31Å; V286-L290 PolarHBondContact O-N 3.03Å; L287-L290 PolarHBondContact O-N 2.77Å; L290-D294 PolarHBondContact O-N 3.47Å; L290-W296 HydrophobicContact CD1-CE3 4.32Å; L290-W296 HydrophobicContact CD1-CZ3 4.2Å; L290-L302 HydrophobicContact CB-CD1 3.63Å |
| 291 | T | 82.1 | Confident | 77.7 | Confident | 15 Ų | 15 | 51.3 Ų | 51.3 | 9% | 0.092 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.3 | -39.2 | 173.7 | -55.9 | 0 | 0 | 0 | 0 | 111 | R35 L287 I289 | R35-T291 WeakPolarHBondContact O-CG2 3.47Å; L287-T291 VanDerWaalsContact O-CB 3.27Å; L287-T291 WeakPolarHBondContact O-CB 3.42Å; L287-T291 PolarHBondContact O-N 3.24Å; L287-T291 PolarHBondContact O-OG1 3.47Å; I289-T291 VanDerWaalsContact C-N 3.3Å; I289-T291 PolarHBondContact O-N 3.29Å |
| 292 | Y | 80.2 | Confident | 77.3 | Confident | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.008 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -72.6 | -31.8 | 179 | -101.1 | -67.9 | 0 | 0 | 0 | 114.1 | R35 L217 Q222 F226 L227 F230 L288 I289 | R35-Y292 HydrophobicContact CG-CD1 4.44Å; R35-Y292 HydrophobicContact CG-CE1 3.85Å; R35-Y292 VanDerWaalsContact CZ-CZ 3.45Å; R35-Y292 PolarHBondContact NE-OH 3.43Å; R35-Y292 PolarHBondContact NH1-OH 2.88Å; R35-Y292 VanDerWaalsContact NH2-CE2 3.26Å; R35-Y292 PolarHBondContact NH2-OH 3.45Å; R35-Y292 VanDerWaalsContact NH2-OH 3.12Å; L217-Y292 HydrophobicContact CD2-CE1 4.13Å; Q222-Y292 HydrophobicContact CG-CD1 3.59Å; Q222-Y292 HydrophobicContact CG-CE1 3.79Å; Q222-Y292 PolarHBondContact NE2-O 2.76Å; F226-Y292 HydrophobicContact CB-CD1 4.25Å; F226-Y292 HydrophobicContact CB-CE1 3.33Å; F226-Y292 WeakPolarHBondContact CB-OH 3.44Å; F226-Y292 HydrophobicContact CG-CE1 4.38Å; L227-Y292 HydrophobicContact CB-CD1 4.32Å; F230-Y292 HydrophobicContact CB-CD2 4.26Å; F230-Y292 HydrophobicContact CB-CE2 4.38Å; F230-Y292 AromaticContact CD2-CD2 3.89Å; F230-Y292 HydrophobicContact CD2-CD2 3.89Å; F230-Y292 HydrophobicContact CD2-CE1 4.33Å; F230-Y292 AromaticContact CD2-CE2 3.17Å; F230-Y292 HydrophobicContact CD2-CE2 3.17Å; F230-Y292 AromaticContact CD2-CZ 3.45Å; F230-Y292 VanDerWaalsContact CD2-CZ 3.45Å; F230-Y292 AromaticContact CE2-CE2 3.52Å; F230-Y292 HydrophobicContact CE2-CE2 3.52Å; F230-Y292 AromaticContact CE2-CZ 3.63Å; F230-Y292 VanDerWaalsContact CE2-OH 3.23Å; F230-Y292 WeakPolarHBondContact CE2-OH 3.28Å; F230-Y292 HydrophobicContact CG-CD2 4.24Å; F230-Y292 AromaticContact CG-CE2 3.89Å; F230-Y292 HydrophobicContact CG-CE2 3.89Å; F230-Y292 HydrophobicContact CZ-CE2 4.45Å; L288-Y292 HydrophobicContact CD1-CD2 3.8Å; L288-Y292 HydrophobicContact CD1-CE2 3.79Å; L288-Y292 HydrophobicContact CG-CD2 4.32Å; L288-Y292 WeakPolarHBondContact O-CB 3.33Å; L288-Y292 WeakPolarHBondContact O-CD2 3.37Å; L288-Y292 PolarHBondContact O-N 3.25Å; L288-Y292 VanDerWaalsContact O-N 3.08Å; I289-Y292 CarbonylContact O-C 3.52Å; I289-Y292 PolarHBondContact O-N 2.75Å |
| 293 | S | 79.3 | Confident | 76.7 | Confident | 37 Ų | 37 | 49.9 Ų | 49.9 | 26% | 0.259 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | 3.1 | -176.6 | 69.7 | 0 | 0 | 0 | 0 | 114.3 | I289 S295 | I289-S293 WeakPolarHBondContact O-CB 3.42Å; I289-S293 PolarHBondContact O-N 2.89Å; I289-S293 PolarHBondContact O-OG 3.25Å; I289-S293 VanDerWaalsContact O-OG 3.12Å; S293-S295 VanDerWaalsContact CB-OG 3.25Å; S293-S295 WeakPolarHBondContact CB-OG 3.33Å; S293-S295 PolarHBondContact O-N 2.95Å; S293-S295 PolarHBondContact O-OG 2.8Å; S293-S295 WeakPolarHBondContact OG-CB 3.48Å; S293-S295 PolarHBondContact OG-OG 2.86Å |
| 294 | D | 70.8 | Confident | 76.3 | Confident | 79 Ų | 79 | 49 Ų | 49 | 42% | 0.422 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 26.4 | 179.7 | -165.3 | 52.1 | 0 | 0 | 0 | 113.9 | R33 L290 W296 | R33-D294 VanDerWaalsContact CZ-CG 3.48Å; R33-D294 IonicContact CZ-OD1 2.73Å; R33-D294 IonicContact CZ-OD2 2.72Å; R33-D294 IonicContact NE-OD2 3.64Å; R33-D294 PolarHBondContact NE-OD2 3.47Å; R33-D294 IonicContact NH1-OD1 3.48Å; R33-D294 PolarHBondContact NH1-OD1 3.33Å; R33-D294 IonicContact NH1-OD2 2.8Å; R33-D294 PolarHBondContact NH1-OD2 3.35Å; R33-D294 IonicContact NH2-OD1 3.8Å; R33-D294 IonicContact NH2-OD2 3.21Å; R33-D294 PolarHBondContact NH2-OD2 2.96Å; L290-D294 PolarHBondContact O-N 3.47Å; D294-W296 VanDerWaalsContact C-N 3.32Å; D294-W296 PolarHBondContact O-N 3.38Å |
| 295 | S | 61.6 | Low | 76.1 | Confident | 75 Ų | 75 | 51.9 Ų | 51.9 | 52% | 0.524 | 30% | 0.301 | S | S | . | . | trans | -90.6 | 18.7 | -162.3 | -51.4 | 0 | 0 | 0 | 0 | 114.6 | S293 | S293-S295 VanDerWaalsContact CB-OG 3.25Å; S293-S295 WeakPolarHBondContact CB-OG 3.33Å; S293-S295 PolarHBondContact O-N 2.95Å; S293-S295 PolarHBondContact O-OG 2.8Å; S293-S295 WeakPolarHBondContact OG-CB 3.48Å; S293-S295 PolarHBondContact OG-OG 2.86Å | ||
| 296 | W | 61.9 | Low | 76 | Confident | 117 Ų | 117 | 52 Ų | 52 | 44% | 0.443 | 30% | 0.302 | S | S | . | . | trans | -89.3 | 131 | -177.8 | -159.5 | -105.5 | 0 | 0 | 0 | 111.7 | L290 D294 D298 L302 | L290-W296 HydrophobicContact CD1-CE3 4.32Å; L290-W296 HydrophobicContact CD1-CZ3 4.2Å; D294-W296 VanDerWaalsContact C-N 3.32Å; D294-W296 PolarHBondContact O-N 3.38Å; W296-D298 VanDerWaalsContact C-N 3.33Å; W296-D298 PolarHBondContact O-N 3.49Å; W296-D298 VanDerWaalsContact O-N 3.15Å; W296-L302 HydrophobicContact CB-CD1 3.93Å; W296-L302 HydrophobicContact CB-CG 4.25Å; W296-L302 HydrophobicContact CD2-CD1 4.36Å; W296-L302 HydrophobicContact CD2-CD2 4.28Å; W296-L302 HydrophobicContact CE3-CD1 4.29Å; W296-L302 HydrophobicContact CG-CD1 4.22Å; W296-L302 HydrophobicContact CG-CD2 4.27Å; W296-L302 HydrophobicContact CG-CG 4.34Å | ||
| 297 | P | 48 | Very low | 75.8 | Confident | 109 Ų | 109 | 49.5 Ų | 49.5 | 71% | 0.708 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -23.7 | -160.5 | -25.4 | 36.5 | 0 | 0 | 0 | 117.1 | ||
| 298 | D | 55.9 | Low | 75.8 | Confident | 133 Ų | 133 | 50.1 Ų | 50.1 | 71% | 0.711 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.6 | 8.3 | -165.1 | -61.4 | -65.6 | 0 | 0 | 0 | 114.8 | W296 E300 | W296-D298 VanDerWaalsContact C-N 3.33Å; W296-D298 PolarHBondContact O-N 3.49Å; W296-D298 VanDerWaalsContact O-N 3.15Å; D298-E300 PolarHBondContact O-N 2.75Å |
| 299 | G | 53.6 | Low | 75.9 | Confident | 69 Ų | 69 | 50.7 Ų | 50.7 | 71% | 0.711 | 29% | 0.293 | S | S | * | . | trans | 69.1 | 19.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 300 | E | 63.1 | Low | 76 | Confident | 134 Ų | 134 | 49.2 Ų | 49.2 | 63% | 0.626 | 29% | 0.285 | S | S | * | . | trans | -70.4 | 147.5 | 167.1 | -66.4 | -157.5 | 136.5 | 0 | 0 | 111.8 | D298 L302 | D298-E300 PolarHBondContact O-N 2.75Å; E300-L302 PolarHBondContact O-N 3.28Å | ||
| 301 | D | 69.3 | Low | 76.3 | Confident | 34 Ų | 34 | 47.1 Ų | 47.1 | 18% | 0.182 | 27% | 0.274 | C | S | . | . | trans | -88.3 | 105.8 | -174.2 | -153.4 | -45.9 | 0 | 0 | 0 | 110.9 | A36 Q52 Y303 | A36-D301 VanDerWaalsContact O-OD1 3.07Å; Q52-D301 PolarHBondContact NE2-OD2 2.95Å; D301-Y303 PolarHBondContact O-N 3.16Å; D301-Y303 WeakPolarHBondContact OD1-CB 3.14Å; D301-Y303 PolarHBondContact OD1-N 3.48Å; D301-Y303 VanDerWaalsContact OD1-N 3.14Å | ||
| 302 | L | 80.2 | Confident | 76.8 | Confident | 22 Ų | 22 | 49.3 Ų | 49.3 | 12% | 0.115 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -4.8 | -179.2 | -68.9 | -175.8 | 0 | 0 | 0 | 113.7 | L287 L290 W296 E300 V304 P305 Y306 | L287-L302 HydrophobicContact CD2-CD2 4.49Å; L290-L302 HydrophobicContact CB-CD1 3.63Å; W296-L302 HydrophobicContact CB-CD1 3.93Å; W296-L302 HydrophobicContact CB-CG 4.25Å; W296-L302 HydrophobicContact CD2-CD1 4.36Å; W296-L302 HydrophobicContact CD2-CD2 4.28Å; W296-L302 HydrophobicContact CE3-CD1 4.29Å; W296-L302 HydrophobicContact CG-CD1 4.22Å; W296-L302 HydrophobicContact CG-CD2 4.27Å; W296-L302 HydrophobicContact CG-CG 4.34Å; E300-L302 PolarHBondContact O-N 3.28Å; L302-V304 PolarHBondContact O-N 2.97Å; L302-P305 WeakPolarHBondContact O-CD 3.4Å; L302-Y306 VanDerWaalsContact O-CB 3.27Å; L302-Y306 WeakPolarHBondContact O-CB 3.28Å; L302-Y306 PolarHBondContact O-N 2.78Å |
| 303 | Y | 79.1 | Confident | 77.4 | Confident | 3 Ų | 3 | 49.6 Ų | 49.6 | 1% | 0.012 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -56 | -51.4 | -178 | 174.8 | -102.8 | 0 | 0 | 0 | 113.5 | A36 F37 T61 D215 D301 Y306 M307 | A36-Y303 HydrophobicContact CB-CD2 3.19Å; A36-Y303 HydrophobicContact CB-CE2 3.68Å; A36-Y303 HydrophobicContact CB-CG 3.75Å; F37-Y303 AromaticContact CE1-CD1 3.87Å; F37-Y303 HydrophobicContact CE1-CD1 3.87Å; F37-Y303 HydrophobicContact CE1-CE1 4.39Å; F37-Y303 HydrophobicContact CE1-CG 4.16Å; F37-Y303 HydrophobicContact CE2-CD1 4.14Å; F37-Y303 HydrophobicContact CE2-CD2 4.43Å; F37-Y303 AromaticContact CE2-CE1 4Å; F37-Y303 HydrophobicContact CE2-CE1 4Å; F37-Y303 HydrophobicContact CE2-CE2 4.23Å; F37-Y303 HydrophobicContact CE2-CG 4.34Å; F37-Y303 AromaticContact CZ-CD1 3.31Å; F37-Y303 HydrophobicContact CZ-CD1 3.31Å; F37-Y303 HydrophobicContact CZ-CD2 4.29Å; F37-Y303 AromaticContact CZ-CE1 3.42Å; F37-Y303 HydrophobicContact CZ-CE1 3.42Å; F37-Y303 VanDerWaalsContact CZ-CE1 3.42Å; F37-Y303 HydrophobicContact CZ-CE2 4.33Å; F37-Y303 AromaticContact CZ-CG 3.76Å; F37-Y303 HydrophobicContact CZ-CG 3.76Å; F37-Y303 AromaticContact CZ-CZ 3.93Å; T61-Y303 HydrophobicContact CG2-CE1 4.09Å; D215-Y303 HydrophobicContact CB-CE2 4.06Å; D215-Y303 WeakPolarHBondContact CB-OH 3.07Å; D301-Y303 PolarHBondContact O-N 3.16Å; D301-Y303 WeakPolarHBondContact OD1-CB 3.14Å; D301-Y303 PolarHBondContact OD1-N 3.48Å; D301-Y303 VanDerWaalsContact OD1-N 3.14Å; Y303-Y306 PolarHBondContact O-N 2.97Å; Y303-M307 HydrophobicContact CD1-CG 4.49Å; Y303-M307 HydrophobicContact CD2-CE 4.14Å; Y303-M307 HydrophobicContact CD2-CG 4.16Å; Y303-M307 HydrophobicContact CE1-CG 4.07Å; Y303-M307 HydrophobicContact CE2-CE 3.31Å; Y303-M307 HydrophobicContact CE2-CG 3.77Å; Y303-M307 HydrophobicContact CE2-SD 4.43Å; Y303-M307 WeakPolarHBondContact O-CG 3.19Å; Y303-M307 PolarHBondContact O-N 3.38Å |
| 304 | V | 83.4 | Confident | 78.1 | Confident | 31 Ų | 31 | 48 Ų | 48 | 19% | 0.188 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.8 | -47.3 | -176.8 | 179 | 0 | 0 | 0 | 0 | 111.5 | E55 T60 L302 Y306 M307 M308 | E55-V304 HydrophobicContact CB-CG2 4.41Å; T60-V304 HydrophobicContact CG2-CG1 3.63Å; L302-V304 PolarHBondContact O-N 2.97Å; V304-Y306 VanDerWaalsContact C-N 3.34Å; V304-Y306 PolarHBondContact O-N 3.25Å; V304-M307 PolarHBondContact O-N 3.04Å; V304-M308 HydrophobicContact CG1-CG 4.37Å; V304-M308 WeakPolarHBondContact O-CB 3.42Å; V304-M308 VanDerWaalsContact O-CG 3.31Å; V304-M308 WeakPolarHBondContact O-CG 3.33Å; V304-M308 PolarHBondContact O-N 2.65Å |
| 305 | P | 88 | Confident | 79.1 | Confident | 61 Ų | 61 | 47.4 Ų | 47.4 | 40% | 0.396 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -53.6 | -45.5 | 169.7 | -28.3 | 34.7 | 0 | 0 | 0 | 113.8 | L287 L302 M308 S309 | L287-P305 HydrophobicContact CD1-CB 4.37Å; L287-P305 HydrophobicContact CD2-CB 4.39Å; L302-P305 WeakPolarHBondContact O-CD 3.4Å; P305-M308 PolarHBondContact O-N 2.73Å; P305-S309 WeakPolarHBondContact O-CB 3.42Å; P305-S309 PolarHBondContact O-N 3.4Å |
| 306 | Y | 88.7 | Confident | 80.5 | Confident | 3 Ų | 3 | 44.2 Ų | 44.2 | 1% | 0.012 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.8 | -49.3 | 177.6 | 160.6 | -112.5 | 0 | 0 | 0 | 111.7 | Y142 L287 L288 L302 Y303 V304 M308 S309 L310 | Y142-Y306 PolarHBondContact OH-OH 2.96Å; L287-Y306 HydrophobicContact CB-CD2 4.4Å; L288-Y306 HydrophobicContact CB-CD2 4.16Å; L288-Y306 HydrophobicContact CB-CE2 3.83Å; L288-Y306 HydrophobicContact CD1-CE2 3.68Å; L288-Y306 HydrophobicContact CG-CE2 4.34Å; L302-Y306 VanDerWaalsContact O-CB 3.27Å; L302-Y306 WeakPolarHBondContact O-CB 3.28Å; L302-Y306 PolarHBondContact O-N 2.78Å; Y303-Y306 PolarHBondContact O-N 2.97Å; V304-Y306 VanDerWaalsContact C-N 3.34Å; V304-Y306 PolarHBondContact O-N 3.25Å; Y306-M308 PolarHBondContact O-N 3.26Å; Y306-S309 CarbonylContact O-C 3.5Å; Y306-S309 PolarHBondContact O-N 3.13Å; Y306-L310 HydrophobicContact CE2-CB 4.41Å; Y306-L310 WeakPolarHBondContact O-CB 3.17Å; Y306-L310 PolarHBondContact O-N 2.8Å |
| 307 | M | 88.1 | Confident | 81.9 | Confident | 3 Ų | 3 | 38.7 Ų | 38.7 | 2% | 0.015 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.9 | -40.9 | 179.7 | -75.8 | -62.5 | 174.9 | 0 | 0 | 112.8 | L65 D215 Y303 V304 S309 L310 A311 | L65-M307 HydrophobicContact CD1-CB 3.81Å; L65-M307 HydrophobicContact CD1-CG 4.48Å; L65-M307 HydrophobicContact CD2-CB 4.14Å; L65-M307 WeakPolarHBondContact CD2-O 3.32Å; D215-M307 HydrophobicContact CB-CE 4.3Å; D215-M307 WeakPolarHBondContact OD1-CE 3.36Å; Y303-M307 HydrophobicContact CD1-CG 4.49Å; Y303-M307 HydrophobicContact CD2-CE 4.14Å; Y303-M307 HydrophobicContact CD2-CG 4.16Å; Y303-M307 HydrophobicContact CE1-CG 4.07Å; Y303-M307 HydrophobicContact CE2-CE 3.31Å; Y303-M307 HydrophobicContact CE2-CG 3.77Å; Y303-M307 HydrophobicContact CE2-SD 4.43Å; Y303-M307 WeakPolarHBondContact O-CG 3.19Å; Y303-M307 PolarHBondContact O-N 3.38Å; V304-M307 PolarHBondContact O-N 3.04Å; M307-S309 VanDerWaalsContact C-N 3.31Å; M307-S309 PolarHBondContact O-N 3.35Å; M307-L310 PolarHBondContact O-N 3.12Å; M307-L310 HydrophobicContact SD-CD2 4.23Å; M307-A311 PolarHBondContact O-N 3.48Å |
| 308 | M | 90.7 | Very high | 84 | Confident | 46 Ų | 46 | 33.6 Ų | 33.6 | 23% | 0.227 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.4 | -40.4 | 173.9 | -74.1 | -63.1 | -59.4 | 0 | 0 | 111.4 | T60 L64 L65 I68 V304 P305 Y306 T312 | T60-M308 HydrophobicContact CG2-CG 4.14Å; T60-M308 HydrophobicContact CG2-SD 3.84Å; L64-M308 HydrophobicContact CD2-CE 3.54Å; L64-M308 HydrophobicContact CD2-SD 3.99Å; L64-M308 HydrophobicContact CG-CE 3.96Å; L64-M308 HydrophobicContact CG-SD 4.2Å; L65-M308 HydrophobicContact CD2-CG 4.22Å; L65-M308 HydrophobicContact CD2-SD 3.56Å; L65-M308 VanDerWaalsContact CD2-SD 3.56Å; L65-M308 HydrophobicContact CG-SD 4.29Å; I68-M308 HydrophobicContact CD1-CE 3.61Å; I68-M308 HydrophobicContact CD1-SD 4.26Å; V304-M308 HydrophobicContact CG1-CG 4.37Å; V304-M308 WeakPolarHBondContact O-CB 3.42Å; V304-M308 VanDerWaalsContact O-CG 3.31Å; V304-M308 WeakPolarHBondContact O-CG 3.33Å; V304-M308 PolarHBondContact O-N 2.65Å; P305-M308 PolarHBondContact O-N 2.73Å; Y306-M308 PolarHBondContact O-N 3.26Å; M308-T312 WeakPolarHBondContact O-CB 3.18Å; M308-T312 PolarHBondContact O-N 3.26Å; M308-T312 PolarHBondContact O-OG1 3.36Å |
| 309 | S | 92.9 | Very high | 85.6 | Confident | 13 Ų | 13 | 30.6 Ų | 30.6 | 9% | 0.091 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -69.6 | -36.1 | 176.4 | -167.1 | 0 | 0 | 0 | 0 | 112.8 | P283 C284 P305 Y306 M307 T312 S313 | P283-S309 WeakPolarHBondContact CB-OG 3.39Å; C284-S309 VanDerWaalsContact CA-OG 3.22Å; C284-S309 WeakPolarHBondContact CA-OG 3.41Å; C284-S309 PolarHBondContact N-OG 3.34Å; P305-S309 WeakPolarHBondContact O-CB 3.42Å; P305-S309 PolarHBondContact O-N 3.4Å; Y306-S309 CarbonylContact O-C 3.5Å; Y306-S309 PolarHBondContact O-N 3.13Å; M307-S309 VanDerWaalsContact C-N 3.31Å; M307-S309 PolarHBondContact O-N 3.35Å; S309-T312 PolarHBondContact O-N 3.07Å; S309-S313 WeakPolarHBondContact O-CB 3.33Å; S309-S313 PolarHBondContact O-N 2.79Å |
| 310 | L | 92.1 | Very high | 87.1 | Confident | 4 Ų | 4 | 27.5 Ų | 27.5 | 2% | 0.021 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.3 | -44.3 | 174.3 | -180 | 67.3 | 0 | 0 | 0 | 111.4 | L141 Y306 M307 T312 S313 T314 | L141-L310 HydrophobicContact CD2-CD2 4.16Å; Y306-L310 HydrophobicContact CE2-CB 4.41Å; Y306-L310 WeakPolarHBondContact O-CB 3.17Å; Y306-L310 PolarHBondContact O-N 2.8Å; M307-L310 PolarHBondContact O-N 3.12Å; M307-L310 HydrophobicContact SD-CD2 4.23Å; L310-T312 VanDerWaalsContact C-N 3.33Å; L310-T312 PolarHBondContact O-N 3.46Å; L310-S313 PolarHBondContact O-N 3.5Å; L310-S313 PolarHBondContact O-OG 3.16Å; L310-T314 PolarHBondContact O-N 3.02Å |
| 311 | A | 93.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.8 | -45.5 | 174 | 0 | 0 | 0 | 0 | 0 | 110.9 | L65 I68 Y69 M307 S313 T314 | L65-A311 HydrophobicContact CD2-CB 3.78Å; I68-A311 HydrophobicContact CB-CB 4.11Å; I68-A311 HydrophobicContact CD1-CB 4.43Å; I68-A311 HydrophobicContact CG2-CB 3.73Å; Y69-A311 HydrophobicContact CD1-CB 4.42Å; Y69-A311 HydrophobicContact CE1-CB 3.91Å; Y69-A311 HydrophobicContact CE2-CB 4.09Å; M307-A311 PolarHBondContact O-N 3.48Å; A311-S313 VanDerWaalsContact C-N 3.3Å; A311-S313 PolarHBondContact O-N 3.05Å; A311-T314 PolarHBondContact O-N 3.06Å; A311-T314 PolarHBondContact O-OG1 2.88Å |
| 312 | T | 91.9 | Very high | 88.7 | Confident | 60 Ų | 60 | 25.4 Ų | 25.4 | 37% | 0.368 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -61.7 | -35.6 | 175.5 | -54.9 | 0 | 0 | 0 | 0 | 112.4 | M308 S309 L310 T314 F315 | M308-T312 WeakPolarHBondContact O-CB 3.18Å; M308-T312 PolarHBondContact O-N 3.26Å; M308-T312 PolarHBondContact O-OG1 3.36Å; S309-T312 PolarHBondContact O-N 3.07Å; L310-T312 VanDerWaalsContact C-N 3.33Å; L310-T312 PolarHBondContact O-N 3.46Å; T312-T314 VanDerWaalsContact C-N 3.31Å; T312-T314 PolarHBondContact O-N 2.89Å; T312-F315 WeakPolarHBondContact O-CB 3.39Å; T312-F315 PolarHBondContact O-N 3.41Å |
| 313 | S | 93.5 | Very high | 88.7 | Confident | 9 Ų | 9 | 25 Ų | 25 | 6% | 0.063 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -66.3 | -32.2 | 177.9 | 82.7 | 0 | 0 | 0 | 0 | 112.3 | S280 S309 L310 A311 F315 N316 | S280-S313 WeakPolarHBondContact O-CA 3.46Å; S280-S313 WeakPolarHBondContact O-CB 3.42Å; S309-S313 WeakPolarHBondContact O-CB 3.33Å; S309-S313 PolarHBondContact O-N 2.79Å; L310-S313 PolarHBondContact O-N 3.5Å; L310-S313 PolarHBondContact O-OG 3.16Å; A311-S313 VanDerWaalsContact C-N 3.3Å; A311-S313 PolarHBondContact O-N 3.05Å; S313-F315 VanDerWaalsContact C-N 3.26Å; S313-F315 PolarHBondContact O-N 3.1Å; S313-N316 WeakPolarHBondContact O-CB 3.38Å; S313-N316 PolarHBondContact O-N 3.49Å |
| 314 | T | 93.8 | Very high | 88.7 | Confident | 4 Ų | 4 | 25.4 Ų | 25.4 | 3% | 0.025 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.7 | -29.3 | 174.6 | 66.4 | 0 | 0 | 0 | 0 | 112.9 | Y69 T72 L110 L114 L141 L310 A311 T312 N316 S317 | Y69-T314 HydrophobicContact CD1-CG2 4.36Å; Y69-T314 HydrophobicContact CE1-CG2 3.9Å; T72-T314 WeakPolarHBondContact CG2-O 3.1Å; L110-T314 HydrophobicContact CD1-CG2 4.12Å; L110-T314 HydrophobicContact CD2-CG2 4.34Å; L114-T314 HydrophobicContact CD2-CG2 4.34Å; L141-T314 HydrophobicContact CD1-CG2 3.83Å; L310-T314 PolarHBondContact O-N 3.02Å; A311-T314 PolarHBondContact O-N 3.06Å; A311-T314 PolarHBondContact O-OG1 2.88Å; T312-T314 VanDerWaalsContact C-N 3.31Å; T312-T314 PolarHBondContact O-N 2.89Å; T314-N316 PolarHBondContact O-N 3.06Å; T314-S317 PolarHBondContact O-N 3.29Å |
| 315 | F | 91.2 | Very high | 88.5 | Confident | 66 Ų | 66 | 27.8 Ų | 27.8 | 29% | 0.289 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -16.4 | 176.2 | -160.2 | -90.5 | 0 | 0 | 0 | 112.9 | T72 T312 S313 S317 C318 F319 | T72-F315 WeakPolarHBondContact OG1-CD2 3.37Å; T312-F315 WeakPolarHBondContact O-CB 3.39Å; T312-F315 PolarHBondContact O-N 3.41Å; S313-F315 VanDerWaalsContact C-N 3.26Å; S313-F315 PolarHBondContact O-N 3.1Å; F315-S317 PolarHBondContact O-N 2.9Å; F315-C318 HydrophobicContact CD1-CB 4.4Å; F315-C318 HydrophobicContact CE1-CB 4.3Å; F315-C318 HydrophobicContact CZ-CB 4.37Å; F315-C318 VanDerWaalsContact O-CB 3.29Å; F315-C318 WeakPolarHBondContact O-CB 3.43Å; F315-C318 PolarHBondContact O-N 2.94Å; F315-F319 HydrophobicContact CD1-CD2 4.46Å; F315-F319 AromaticContact CD1-CE2 3.67Å; F315-F319 HydrophobicContact CD1-CE2 3.67Å; F315-F319 AromaticContact CD1-CZ 3.97Å; F315-F319 HydrophobicContact CD1-CZ 3.97Å; F315-F319 HydrophobicContact CE1-CE1 4.47Å; F315-F319 AromaticContact CE1-CE2 3.94Å; F315-F319 HydrophobicContact CE1-CE2 3.94Å; F315-F319 AromaticContact CE1-CZ 3.76Å; F315-F319 HydrophobicContact CE1-CZ 3.76Å |
| 316 | N | 91.4 | Very high | 87.7 | Confident | 7 Ų | 7 | 29 Ų | 29 | 4% | 0.037 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -51 | -43.4 | 171.4 | 172.8 | 64 | 0 | 0 | 0 | 112.1 | V276 S313 T314 C318 F319 H320 | V276-N316 WeakPolarHBondContact CG1-OD1 3.43Å; S313-N316 WeakPolarHBondContact O-CB 3.38Å; S313-N316 PolarHBondContact O-N 3.49Å; T314-N316 PolarHBondContact O-N 3.06Å; N316-C318 PolarHBondContact O-N 2.9Å; N316-C318 VanDerWaalsContact O-N 3.15Å; N316-F319 PolarHBondContact O-N 3.14Å; N316-H320 PolarHBondContact ND2-CE1 3.16Å; N316-H320 PolarHBondContact ND2-NE2 3.32Å; N316-H320 VanDerWaalsContact ND2-NE2 3.12Å |
| 317 | S | 92.8 | Very high | 86.8 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.007 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64 | -17.7 | -178.2 | -68 | 0 | 0 | 0 | 0 | 113.9 | N80 D107 T314 F315 F319 | N80-S317 PolarHBondContact ND2-O 3.07Å; D107-S317 VanDerWaalsContact OD1-CB 3.25Å; D107-S317 WeakPolarHBondContact OD1-CB 3.41Å; D107-S317 PolarHBondContact OD1-OG 3.3Å; T314-S317 PolarHBondContact O-N 3.29Å; F315-S317 PolarHBondContact O-N 2.9Å; S317-F319 VanDerWaalsContact C-N 3.34Å |
| 318 | C | 91.9 | Very high | 86 | Confident | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.014 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -70.5 | -28.7 | 170.9 | -61.6 | 0 | 0 | 0 | 0 | 112.2 | V75 F315 N316 Y322 | V75-C318 HydrophobicContact CG1-CB 4.2Å; F315-C318 HydrophobicContact CD1-CB 4.4Å; F315-C318 HydrophobicContact CE1-CB 4.3Å; F315-C318 HydrophobicContact CZ-CB 4.37Å; F315-C318 VanDerWaalsContact O-CB 3.29Å; F315-C318 WeakPolarHBondContact O-CB 3.43Å; F315-C318 PolarHBondContact O-N 2.94Å; N316-C318 PolarHBondContact O-N 2.9Å; N316-C318 VanDerWaalsContact O-N 3.15Å; C318-Y322 WeakPolarHBondContact O-CD2 3.38Å; C318-Y322 VanDerWaalsContact O-CE2 3.3Å; C318-Y322 WeakPolarHBondContact O-CE2 3.34Å |
| 319 | F | 88.2 | Confident | 85.1 | Confident | 71 Ų | 71 | 39.2 Ų | 39.2 | 31% | 0.311 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -79.5 | -22.6 | -175.2 | -66.8 | -69.8 | 0 | 0 | 0 | 114.1 | V276 F315 N316 S317 Y322 I323 | V276-F319 HydrophobicContact CG1-CD2 3.65Å; V276-F319 HydrophobicContact CG1-CE2 4.18Å; V276-F319 HydrophobicContact CG1-CG 4.33Å; V276-F319 HydrophobicContact CG2-CD2 4.08Å; V276-F319 HydrophobicContact CG2-CE2 4.31Å; V276-F319 HydrophobicContact CG2-CG 4.25Å; F315-F319 HydrophobicContact CD1-CD2 4.46Å; F315-F319 AromaticContact CD1-CE2 3.67Å; F315-F319 HydrophobicContact CD1-CE2 3.67Å; F315-F319 AromaticContact CD1-CZ 3.97Å; F315-F319 HydrophobicContact CD1-CZ 3.97Å; F315-F319 HydrophobicContact CE1-CE1 4.47Å; F315-F319 AromaticContact CE1-CE2 3.94Å; F315-F319 HydrophobicContact CE1-CE2 3.94Å; F315-F319 AromaticContact CE1-CZ 3.76Å; F315-F319 HydrophobicContact CE1-CZ 3.76Å; N316-F319 PolarHBondContact O-N 3.14Å; S317-F319 VanDerWaalsContact C-N 3.34Å; F319-Y322 PolarHBondContact O-N 2.96Å; F319-I323 HydrophobicContact CB-CD1 4.05Å; F319-I323 WeakPolarHBondContact O-CG1 3.39Å; F319-I323 PolarHBondContact O-N 3.38Å |
| 320 | H | 86.8 | Confident | 84.1 | Confident | 3 Ų | 3 | 40.1 Ų | 40.1 | 1% | 0.014 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59 | -46.9 | -173.4 | -54.9 | 148.6 | 0 | 0 | 0 | 113.6 | L103 D107 N316 Y322 I323 F324 | L103-H320 HydrophobicContact CD2-CB 4.46Å; D107-H320 IonicContact OD1-CE1 3.44Å; D107-H320 IonicContact OD1-ND1 3.78Å; D107-H320 IonicContact OD2-CE1 2.8Å; D107-H320 IonicContact OD2-CG 3Å; D107-H320 IonicContact OD2-ND1 2.77Å; D107-H320 PolarHBondContact OD2-ND1 3.02Å; N316-H320 PolarHBondContact ND2-CE1 3.16Å; N316-H320 PolarHBondContact ND2-NE2 3.32Å; N316-H320 VanDerWaalsContact ND2-NE2 3.12Å; H320-Y322 VanDerWaalsContact C-N 3.35Å; H320-Y322 PolarHBondContact O-N 3.39Å; H320-I323 PolarHBondContact O-N 3.49Å; H320-F324 HydrophobicContact CB-CE1 4.2Å; H320-F324 HydrophobicContact CB-CE2 4.2Å; H320-F324 HydrophobicContact CB-CZ 3.76Å; H320-F324 WeakPolarHBondContact O-CD1 3.38Å; H320-F324 WeakPolarHBondContact O-CD2 3.45Å; H320-F324 WeakPolarHBondContact O-CE1 3.33Å; H320-F324 WeakPolarHBondContact O-CG 3.37Å; H320-F324 PolarHBondContact O-N 3.39Å |
| 321 | P | 84.6 | Confident | 83.2 | Confident | 11 Ų | 11 | 40.3 Ų | 40.3 | 7% | 0.071 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59 | -40 | 175.7 | -27.4 | 38 | 0 | 0 | 0 | 113.9 | N80 A83 F324 Y325 | N80-P321 HydrophobicContact CB-CG 4.5Å; N80-P321 WeakPolarHBondContact OD1-CG 3.29Å; A83-P321 HydrophobicContact CB-CB 4.1Å; A83-P321 HydrophobicContact CB-CG 4.14Å; P321-F324 PolarHBondContact O-N 3Å; P321-Y325 PolarHBondContact O-N 3.14Å |
| 322 | Y | 80.4 | Confident | 82.6 | Confident | 113 Ų | 113 | 44.5 Ų | 44.5 | 44% | 0.443 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -65 | -44.6 | 176.1 | -61.3 | -86.6 | 0 | 0 | 0 | 111.2 | C318 F319 H320 F324 Y325 F326 | C318-Y322 WeakPolarHBondContact O-CD2 3.38Å; C318-Y322 VanDerWaalsContact O-CE2 3.3Å; C318-Y322 WeakPolarHBondContact O-CE2 3.34Å; F319-Y322 PolarHBondContact O-N 2.96Å; H320-Y322 VanDerWaalsContact C-N 3.35Å; H320-Y322 PolarHBondContact O-N 3.39Å; Y322-F324 VanDerWaalsContact C-N 3.28Å; Y322-F324 PolarHBondContact O-N 3.04Å; Y322-Y325 WeakPolarHBondContact O-CB 3.5Å; Y322-Y325 PolarHBondContact O-N 2.88Å; Y322-F326 WeakPolarHBondContact O-CD2 3.36Å; Y322-F326 PolarHBondContact O-N 2.8Å |
| 323 | I | 79.6 | Confident | 82.2 | Confident | 14 Ų | 14 | 47.1 Ų | 47.1 | 7% | 0.072 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58 | -43.1 | 174.3 | -67.7 | 159.7 | 0 | 0 | 0 | 109.9 | V269 M273 F319 H320 Y325 F326 V327 | V269-I323 HydrophobicContact CG1-CG2 4.11Å; M273-I323 HydrophobicContact CE-CG2 4.3Å; M273-I323 HydrophobicContact CG-CD1 4.01Å; M273-I323 HydrophobicContact CG-CG1 4.32Å; M273-I323 HydrophobicContact CG-CG2 3.9Å; M273-I323 HydrophobicContact SD-CG2 3.73Å; F319-I323 HydrophobicContact CB-CD1 4.05Å; F319-I323 WeakPolarHBondContact O-CG1 3.39Å; F319-I323 PolarHBondContact O-N 3.38Å; H320-I323 PolarHBondContact O-N 3.49Å; I323-Y325 PolarHBondContact O-N 3.12Å; I323-F326 PolarHBondContact O-N 2.96Å; I323-V327 HydrophobicContact CG2-CG2 4.05Å; I323-V327 WeakPolarHBondContact O-CB 3.45Å; I323-V327 VanDerWaalsContact O-CG2 3.28Å; I323-V327 WeakPolarHBondContact O-CG2 3.49Å; I323-V327 PolarHBondContact O-N 2.87Å |
| 324 | F | 80.5 | Confident | 81.7 | Confident | 12 Ų | 12 | 52 Ų | 52 | 5% | 0.053 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.7 | -40.9 | 178.2 | -54.6 | -17 | 0 | 0 | 0 | 112.4 | L87 L100 L103 T104 H320 P321 Y322 F326 V327 S328 F331 | L87-F324 HydrophobicContact CD1-CD2 4.4Å; L87-F324 HydrophobicContact CD1-CE2 4.41Å; L100-F324 HydrophobicContact CB-CE2 4.43Å; L100-F324 HydrophobicContact CB-CZ 4.44Å; L100-F324 HydrophobicContact CD2-CD1 3.92Å; L100-F324 HydrophobicContact CD2-CE1 3.56Å; L100-F324 HydrophobicContact CD2-CZ 3.91Å; L103-F324 HydrophobicContact CD2-CZ 4.09Å; T104-F324 HydrophobicContact CG2-CE2 3.69Å; H320-F324 HydrophobicContact CB-CE1 4.2Å; H320-F324 HydrophobicContact CB-CE2 4.2Å; H320-F324 HydrophobicContact CB-CZ 3.76Å; H320-F324 WeakPolarHBondContact O-CD1 3.38Å; H320-F324 WeakPolarHBondContact O-CD2 3.45Å; H320-F324 WeakPolarHBondContact O-CE1 3.33Å; H320-F324 WeakPolarHBondContact O-CG 3.37Å; H320-F324 PolarHBondContact O-N 3.39Å; P321-F324 PolarHBondContact O-N 3Å; Y322-F324 VanDerWaalsContact C-N 3.28Å; Y322-F324 PolarHBondContact O-N 3.04Å; F324-F326 VanDerWaalsContact C-N 3.32Å; F324-F326 PolarHBondContact O-N 3.49Å; F324-V327 PolarHBondContact O-N 2.84Å; F324-S328 VanDerWaalsContact O-CB 3.32Å; F324-S328 WeakPolarHBondContact O-CB 3.37Å; F324-S328 PolarHBondContact O-N 2.91Å; F324-F331 HydrophobicContact CB-CD1 4.02Å; F324-F331 HydrophobicContact CB-CE1 4.02Å; F324-F331 HydrophobicContact CB-CG 4.37Å; F324-F331 HydrophobicContact CB-CZ 4.38Å |
| 325 | Y | 78 | Confident | 81 | Confident | 80 Ų | 80 | 52.4 Ų | 52.4 | 31% | 0.314 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.5 | -38.9 | 173.6 | -175 | -94.1 | 0 | 0 | 0 | 112.8 | P321 Y322 I323 R332 T335 | P321-Y325 PolarHBondContact O-N 3.14Å; Y322-Y325 WeakPolarHBondContact O-CB 3.5Å; Y322-Y325 PolarHBondContact O-N 2.88Å; I323-Y325 PolarHBondContact O-N 3.12Å; Y325-R332 HydrophobicContact CD1-CG 4.47Å; Y325-R332 HydrophobicContact CD2-CB 4.25Å; Y325-R332 HydrophobicContact CD2-CG 4Å; Y325-R332 HydrophobicContact CE1-CG 4.13Å; Y325-R332 HydrophobicContact CE2-CB 4.29Å; Y325-R332 HydrophobicContact CE2-CG 3.61Å; Y325-R332 HydrophobicContact CG-CG 4.41Å; Y325-T335 HydrophobicContact CD2-CG2 3.96Å; Y325-T335 HydrophobicContact CE2-CG2 4.01Å |
| 326 | F | 72.3 | Confident | 80.6 | Confident | 86 Ų | 86 | 57.7 Ų | 57.7 | 38% | 0.377 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -83.4 | -30.4 | 178.8 | -66 | -58.2 | 0 | 0 | 0 | 114.3 | H265 V269 Y322 I323 F324 | H265-F326 AromaticContact CE1-CD1 3.78Å; H265-F326 PolarHBondContact NE2-O 3.4Å; V269-F326 HydrophobicContact CG2-CB 3.65Å; Y322-F326 WeakPolarHBondContact O-CD2 3.36Å; Y322-F326 PolarHBondContact O-N 2.8Å; I323-F326 PolarHBondContact O-N 2.96Å; F324-F326 VanDerWaalsContact C-N 3.32Å; F324-F326 PolarHBondContact O-N 3.49Å |
| 327 | V | 68.6 | Low | 80.2 | Confident | 57 Ų | 57 | 59.8 Ų | 59.8 | 35% | 0.345 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -84.1 | -35.9 | 179.2 | 179.1 | 0 | 0 | 0 | 0 | 112.9 | R159 V269 I323 F324 | R159-V327 VanDerWaalsContact CZ-CG1 3.47Å; V269-V327 HydrophobicContact CB-CG2 4.31Å; V269-V327 HydrophobicContact CG1-CG2 3.46Å; V269-V327 VanDerWaalsContact CG1-CG2 3.46Å; I323-V327 HydrophobicContact CG2-CG2 4.05Å; I323-V327 WeakPolarHBondContact O-CB 3.45Å; I323-V327 VanDerWaalsContact O-CG2 3.28Å; I323-V327 WeakPolarHBondContact O-CG2 3.49Å; I323-V327 PolarHBondContact O-N 2.87Å; F324-V327 PolarHBondContact O-N 2.84Å |
| 328 | S | 71.4 | Confident | 79.6 | Confident | 27 Ų | 27 | 60.6 Ų | 60.6 | 19% | 0.189 | 27% | 0.268 | C | S | . | . | trans | -110.9 | 108.4 | -168.1 | -175.9 | 0 | 0 | 0 | 0 | 112.4 | F324 D330 F331 R332 | F324-S328 VanDerWaalsContact O-CB 3.32Å; F324-S328 WeakPolarHBondContact O-CB 3.37Å; F324-S328 PolarHBondContact O-N 2.91Å; S328-D330 VanDerWaalsContact C-N 3.34Å; S328-D330 PolarHBondContact O-N 3.04Å; S328-F331 PolarHBondContact O-N 3.2Å; S328-F331 PolarHBondContact OG-N 3.49Å; S328-R332 WeakPolarHBondContact O-CB 3.49Å; S328-R332 PolarHBondContact O-N 3.47Å | ||
| 329 | R | 71.8 | Confident | 79.2 | Confident | 184 Ų | 184 | 64.7 Ų | 64.7 | 69% | 0.694 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -57.1 | -44.7 | 175 | -65.4 | -171.2 | -177.1 | -170.5 | 0.9 | 112.5 | F331 R332 E333 | R329-F331 PolarHBondContact O-N 2.7Å; R329-R332 WeakPolarHBondContact O-CB 3.44Å; R329-R332 PolarHBondContact O-N 2.98Å; R329-E333 WeakPolarHBondContact O-CB 3.36Å; R329-E333 WeakPolarHBondContact O-CG 3.38Å; R329-E333 PolarHBondContact O-N 3.2Å |
| 330 | D | 72.7 | Confident | 78.7 | Confident | 32 Ų | 32 | 64.2 Ų | 64.2 | 17% | 0.171 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.5 | -45.7 | 177.4 | -169.7 | 24.3 | 0 | 0 | 0 | 110.9 | S328 R334 | S328-D330 VanDerWaalsContact C-N 3.34Å; S328-D330 PolarHBondContact O-N 3.04Å; D330-R334 WeakPolarHBondContact O-CG 3.44Å; D330-R334 PolarHBondContact O-N 3.38Å; D330-R334 VanDerWaalsContact O-N 3.12Å |
| 331 | F | 73.2 | Confident | 77.9 | Confident | 8 Ų | 8 | 66.9 Ų | 66.9 | 4% | 0.035 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.2 | -44 | 176.1 | -176.4 | -93.4 | 0 | 0 | 0 | 111.7 | A83 I86 L87 F324 S328 R329 E333 R334 T335 | A83-F331 HydrophobicContact CB-CE2 4.17Å; A83-F331 HydrophobicContact CB-CZ 3.83Å; I86-F331 HydrophobicContact CB-CD2 4.35Å; I86-F331 HydrophobicContact CB-CE2 3.9Å; I86-F331 HydrophobicContact CG2-CD2 3.58Å; I86-F331 HydrophobicContact CG2-CE2 3.63Å; I86-F331 HydrophobicContact CG2-CG 4.41Å; L87-F331 HydrophobicContact CD2-CD2 3.89Å; L87-F331 HydrophobicContact CD2-CE2 4.22Å; L87-F331 HydrophobicContact CG-CD2 4.14Å; L87-F331 HydrophobicContact CG-CE2 3.97Å; F324-F331 HydrophobicContact CB-CD1 4.02Å; F324-F331 HydrophobicContact CB-CE1 4.02Å; F324-F331 HydrophobicContact CB-CG 4.37Å; F324-F331 HydrophobicContact CB-CZ 4.38Å; S328-F331 PolarHBondContact O-N 3.2Å; S328-F331 PolarHBondContact OG-N 3.49Å; R329-F331 PolarHBondContact O-N 2.7Å; F331-E333 PolarHBondContact O-N 3.2Å; F331-R334 PolarHBondContact O-N 2.9Å; F331-T335 WeakPolarHBondContact CE1-OG1 3.37Å; F331-T335 WeakPolarHBondContact O-CB 3.25Å; F331-T335 PolarHBondContact O-N 3.36Å; F331-T335 PolarHBondContact O-OG1 3.38Å |
| 332 | R | 80.8 | Confident | 77.1 | Confident | 87 Ų | 87 | 71 Ų | 71 | 33% | 0.328 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.8 | -46 | 178.8 | -174.6 | 171.9 | 68.3 | -175.3 | 6.3 | 113 | Y325 S328 R329 T335 R336 | Y325-R332 HydrophobicContact CD1-CG 4.47Å; Y325-R332 HydrophobicContact CD2-CB 4.25Å; Y325-R332 HydrophobicContact CD2-CG 4Å; Y325-R332 HydrophobicContact CE1-CG 4.13Å; Y325-R332 HydrophobicContact CE2-CB 4.29Å; Y325-R332 HydrophobicContact CE2-CG 3.61Å; Y325-R332 HydrophobicContact CG-CG 4.41Å; S328-R332 WeakPolarHBondContact O-CB 3.49Å; S328-R332 PolarHBondContact O-N 3.47Å; R329-R332 WeakPolarHBondContact O-CB 3.44Å; R329-R332 PolarHBondContact O-N 2.98Å; R332-T335 PolarHBondContact O-N 3.01Å; R332-R336 PolarHBondContact O-N 3.01Å |
| 333 | E | 82.3 | Confident | 76.4 | Confident | 116 Ų | 116 | 71.2 Ų | 71.2 | 54% | 0.542 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.1 | -41.9 | 177.9 | -73.7 | 158.4 | -152 | 0 | 0 | 111.2 | R329 F331 S337 | R329-E333 WeakPolarHBondContact O-CB 3.36Å; R329-E333 WeakPolarHBondContact O-CG 3.38Å; R329-E333 PolarHBondContact O-N 3.2Å; F331-E333 PolarHBondContact O-N 3.2Å; E333-S337 WeakPolarHBondContact O-CB 3.46Å; E333-S337 PolarHBondContact O-N 3.24Å |
| 334 | R | 83.3 | Confident | 75.6 | Confident | 111 Ų | 111 | 75.6 Ų | 75.6 | 42% | 0.419 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -68.8 | -35.9 | 174.9 | -62.2 | -63.2 | 176.9 | -176.2 | -0.1 | 113.1 | I86 R90 D330 F331 S337 A338 | I86-R334 HydrophobicContact CG2-CB 3.9Å; R90-R334 HydrophobicContact CB-CB 4.21Å; R90-R334 HydrophobicContact CB-CG 4.28Å; R90-R334 WeakPolarHBondContact O-CD 3.34Å; R90-R334 WeakPolarHBondContact O-CG 3.49Å; R90-R334 PolarHBondContact O-NE 3.38Å; D330-R334 WeakPolarHBondContact O-CG 3.44Å; D330-R334 PolarHBondContact O-N 3.38Å; D330-R334 VanDerWaalsContact O-N 3.12Å; F331-R334 PolarHBondContact O-N 2.9Å; R334-S337 PolarHBondContact O-N 3.06Å; R334-A338 WeakPolarHBondContact O-CB 3.24Å; R334-A338 PolarHBondContact O-N 3.06Å |
| 335 | T | 79 | Confident | 74.5 | Confident | 12 Ų | 12 | 82.2 Ų | 82.2 | 7% | 0.074 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -64.7 | -48.3 | 175 | -53.5 | 0 | 0 | 0 | 0 | 110.5 | I86 Y325 F331 R332 S337 A338 L339 | I86-T335 HydrophobicContact CD1-CG2 4.26Å; Y325-T335 HydrophobicContact CD2-CG2 3.96Å; Y325-T335 HydrophobicContact CE2-CG2 4.01Å; F331-T335 WeakPolarHBondContact CE1-OG1 3.37Å; F331-T335 WeakPolarHBondContact O-CB 3.25Å; F331-T335 PolarHBondContact O-N 3.36Å; F331-T335 PolarHBondContact O-OG1 3.38Å; R332-T335 PolarHBondContact O-N 3.01Å; T335-S337 VanDerWaalsContact C-N 3.35Å; T335-S337 PolarHBondContact O-N 2.71Å; T335-A338 PolarHBondContact O-N 2.66Å; T335-L339 HydrophobicContact CG2-CD1 3.98Å; T335-L339 HydrophobicContact CG2-CG 4.48Å; T335-L339 WeakPolarHBondContact O-CG 3.33Å; T335-L339 PolarHBondContact O-N 3.01Å |
| 336 | R | 83.9 | Confident | 73.6 | Confident | 178 Ų | 178 | 86.4 Ų | 86.4 | 67% | 0.672 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -59.1 | -45.7 | 176.2 | -173.3 | 179.1 | -179.1 | -173.7 | 1.3 | 111.5 | R332 A338 L339 C340 | R332-R336 PolarHBondContact O-N 3.01Å; R336-A338 PolarHBondContact O-N 3.1Å; R336-L339 PolarHBondContact O-N 3.16Å; R336-C340 PolarHBondContact O-N 3.28Å; R336-C340 PolarHBondContact O-SG 3.25Å |
| 337 | S | 83.1 | Confident | 72.8 | Confident | 51 Ų | 51 | 87.6 Ų | 87.6 | 36% | 0.357 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60.6 | -41.2 | 175.7 | 168.7 | 0 | 0 | 0 | 0 | 112.7 | E333 R334 T335 C341 | E333-S337 WeakPolarHBondContact O-CB 3.46Å; E333-S337 PolarHBondContact O-N 3.24Å; R334-S337 PolarHBondContact O-N 3.06Å; T335-S337 VanDerWaalsContact C-N 3.35Å; T335-S337 PolarHBondContact O-N 2.71Å; S337-C341 PolarHBondContact O-N 3.38Å; S337-C341 VanDerWaalsContact O-N 3.09Å; S337-C341 PolarHBondContact O-SG 2.78Å |
| 338 | A | 80.3 | Confident | 71.6 | Confident | 17 Ų | 17 | 92.9 Ų | 92.9 | 14% | 0.14 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -66.2 | -42.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R334 T335 R336 C341 L342 | R334-A338 WeakPolarHBondContact O-CB 3.24Å; R334-A338 PolarHBondContact O-N 3.06Å; T335-A338 PolarHBondContact O-N 2.66Å; R336-A338 PolarHBondContact O-N 3.1Å; A338-C341 PolarHBondContact O-N 3.13Å; A338-L342 WeakPolarHBondContact O-CG 3.41Å; A338-L342 PolarHBondContact O-N 3.41Å; A338-L342 VanDerWaalsContact O-N 3.14Å |
| 339 | L | 82.3 | Confident | 70.3 | Confident | 89 Ų | 89 | 97 Ų | 97 | 47% | 0.466 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.7 | -40.6 | 177.4 | -68.6 | 170.2 | 0 | 0 | 0 | 112.4 | T335 R336 L342 H343 | T335-L339 HydrophobicContact CG2-CD1 3.98Å; T335-L339 HydrophobicContact CG2-CG 4.48Å; T335-L339 WeakPolarHBondContact O-CG 3.33Å; T335-L339 PolarHBondContact O-N 3.01Å; R336-L339 PolarHBondContact O-N 3.16Å; L339-L342 HydrophobicContact CD2-CD1 4.47Å; L339-L342 PolarHBondContact O-N 2.98Å; L339-H343 PolarHBondContact O-N 2.96Å; L339-H343 VanDerWaalsContact O-N 3.1Å |
| 340 | C | 78.3 | Confident | 69 | Low | 60 Ų | 60 | 94 Ų | 94 | 41% | 0.405 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.9 | -44.1 | 173.4 | -67.9 | 0 | 0 | 0 | 0 | 111.7 | R336 L342 H343 D344 | R336-C340 PolarHBondContact O-N 3.28Å; R336-C340 PolarHBondContact O-SG 3.25Å; C340-L342 PolarHBondContact O-N 3.27Å; C340-H343 WeakPolarHBondContact O-CB 3.15Å; C340-H343 PolarHBondContact O-N 2.97Å; C340-H343 VanDerWaalsContact O-N 3.14Å; C340-D344 VanDerWaalsContact O-CG 3.29Å; C340-D344 PolarHBondContact O-N 3.42Å |
| 341 | C | 69.8 | Low | 67.5 | Low | 60 Ų | 60 | 97.8 Ų | 97.8 | 41% | 0.405 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.4 | -21.3 | 177.2 | -66 | 0 | 0 | 0 | 0 | 114.3 | S337 A338 M345 | S337-C341 PolarHBondContact O-N 3.38Å; S337-C341 VanDerWaalsContact O-N 3.09Å; S337-C341 PolarHBondContact O-SG 2.78Å; A338-C341 PolarHBondContact O-N 3.13Å; C341-M345 WeakPolarHBondContact O-CG 3.43Å |
| 342 | L | 67.9 | Low | 66 | Low | 96 Ų | 96 | 106.3 Ų | 106.3 | 50% | 0.503 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -74.7 | -46.2 | 170.3 | -72.6 | 164.7 | 0 | 0 | 0 | 110.3 | A338 L339 C340 D344 M345 E346 | A338-L342 WeakPolarHBondContact O-CG 3.41Å; A338-L342 PolarHBondContact O-N 3.41Å; A338-L342 VanDerWaalsContact O-N 3.14Å; L339-L342 HydrophobicContact CD2-CD1 4.47Å; L339-L342 PolarHBondContact O-N 2.98Å; C340-L342 PolarHBondContact O-N 3.27Å; L342-D344 VanDerWaalsContact C-N 3.35Å; L342-D344 PolarHBondContact O-N 3.43Å; L342-M345 WeakPolarHBondContact O-CB 3.39Å; L342-M345 PolarHBondContact O-N 2.83Å; L342-E346 PolarHBondContact O-N 3.28Å; L342-E346 VanDerWaalsContact O-N 3.1Å |
| 343 | H | 64.7 | Low | 64.1 | Low | 118 Ų | 118 | 106 Ų | 106 | 55% | 0.546 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -57.8 | -44.2 | 175.3 | -156.8 | -67.3 | 0 | 0 | 0 | 112.3 | L339 C340 M345 E346 D347 | L339-H343 PolarHBondContact O-N 2.96Å; L339-H343 VanDerWaalsContact O-N 3.1Å; C340-H343 WeakPolarHBondContact O-CB 3.15Å; C340-H343 PolarHBondContact O-N 2.97Å; C340-H343 VanDerWaalsContact O-N 3.14Å; H343-M345 PolarHBondContact O-N 3.05Å; H343-M345 VanDerWaalsContact O-N 3.16Å; H343-E346 PolarHBondContact O-N 3.29Å; H343-E346 VanDerWaalsContact O-N 3.13Å; H343-D347 IonicContact CE1-OD2 2.96Å; H343-D347 PolarHBondContact CE1-OD2 2.99Å; H343-D347 IonicContact ND1-OD2 2.83Å; H343-D347 PolarHBondContact ND1-OD2 3Å; H343-D347 PolarHBondContact O-N 3.16Å |
| 344 | D | 63.5 | Low | 61.8 | Low | 106 Ų | 106 | 106.9 Ų | 106.9 | 57% | 0.567 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -64.6 | -15.8 | 176.4 | -65 | -31.6 | 0 | 0 | 0 | 113.6 | C340 L342 | C340-D344 VanDerWaalsContact O-CG 3.29Å; C340-D344 PolarHBondContact O-N 3.42Å; L342-D344 VanDerWaalsContact C-N 3.35Å; L342-D344 PolarHBondContact O-N 3.43Å |
| 345 | M | 57.8 | Low | 59.9 | Low | 152 Ų | 152 | 110.3 Ų | 110.3 | 75% | 0.749 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -93.6 | -28.1 | 173.2 | -73.1 | -169.7 | -179.1 | 0 | 0 | 113 | C341 L342 H343 | C341-M345 WeakPolarHBondContact O-CG 3.43Å; L342-M345 WeakPolarHBondContact O-CB 3.39Å; L342-M345 PolarHBondContact O-N 2.83Å; H343-M345 PolarHBondContact O-N 3.05Å; H343-M345 VanDerWaalsContact O-N 3.16Å |
| 346 | E | 58.3 | Low | 57.6 | Low | 167 Ų | 167 | 116.7 Ų | 116.7 | 78% | 0.78 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -77.5 | -34.3 | 174.1 | -114.3 | 163.7 | 128.8 | 0 | 0 | 112.1 | L342 H343 K348 | L342-E346 PolarHBondContact O-N 3.28Å; L342-E346 VanDerWaalsContact O-N 3.1Å; H343-E346 PolarHBondContact O-N 3.29Å; H343-E346 VanDerWaalsContact O-N 3.13Å; E346-K348 PolarHBondContact O-N 3.27Å; E346-K348 VanDerWaalsContact O-N 3.13Å |
| 347 | D | 55.4 | Low | 55.5 | Low | 111 Ų | 111 | 114 Ų | 114 | 59% | 0.594 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | 19.2 | 179.2 | -87.3 | -27 | 0 | 0 | 0 | 115.1 | H343 P349 | H343-D347 IonicContact CE1-OD2 2.96Å; H343-D347 PolarHBondContact CE1-OD2 2.99Å; H343-D347 IonicContact ND1-OD2 2.83Å; H343-D347 PolarHBondContact ND1-OD2 3Å; H343-D347 PolarHBondContact O-N 3.16Å; D347-P349 VanDerWaalsContact O-CD 3.29Å; D347-P349 WeakPolarHBondContact O-CD 3.29Å |
| 348 | K | 43.5 | Very low | 53.1 | Low | 169 Ų | 169 | 117.6 Ų | 117.6 | 74% | 0.735 | 68% | 0.679 | S | S | * | * | trans | -98.8 | 104.2 | 170.6 | -86.4 | -172.2 | 175.5 | -179.1 | 0 | 111.1 | E346 S350 | E346-K348 PolarHBondContact O-N 3.27Å; E346-K348 VanDerWaalsContact O-N 3.13Å; K348-S350 PolarHBondContact O-N 3.13Å | ||
| 349 | P | 43.8 | Very low | 51 | Low | 114 Ų | 114 | 122.3 Ų | 122.3 | 74% | 0.74 | 71% | 0.71 | S | S | * | * | trans | -61.6 | 140.3 | 165.4 | -13.8 | 28.2 | 0 | 0 | 0 | 109.2 | D347 S351 | D347-P349 VanDerWaalsContact O-CD 3.29Å; D347-P349 WeakPolarHBondContact O-CD 3.29Å; P349-S351 PolarHBondContact O-N 3.42Å | ||
| 350 | S | 45.4 | Very low | 48.6 | Very low | 120 Ų | 120 | 123 Ų | 123 | 84% | 0.839 | 73% | 0.729 | S | S | * | * | trans | -71.6 | 74 | 172.6 | 45.5 | 0 | 0 | 0 | 0 | 111.3 | K348 Q352 | K348-S350 PolarHBondContact O-N 3.13Å; S350-Q352 PolarHBondContact O-N 3.5Å | ||
| 351 | S | 41.9 | Very low | 46.4 | Very low | 112 Ų | 112 | 123.8 Ų | 123.8 | 78% | 0.783 | 75% | 0.747 | S | S | * | * | trans | -69.9 | 100.9 | 164.7 | 49 | 0 | 0 | 0 | 0 | 109.4 | P349 G353 | P349-S351 PolarHBondContact O-N 3.42Å; S351-G353 PolarHBondContact O-N 2.85Å | ||
| 352 | Q | 41 | Very low | 44.5 | Very low | 187 Ų | 187 | 130.5 Ų | 130.5 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | trans | -54.2 | 134.1 | 164.8 | -76.2 | 176.6 | -26.8 | 0 | 0 | 109.2 | S350 | S350-Q352 PolarHBondContact O-N 3.5Š| ||
| 353 | G | 41.6 | Very low | 42.9 | Very low | 79 Ų | 79 | 137.5 Ų | 137.5 | 81% | 0.814 | 79% | 0.792 | S | S | * | * | trans | -72.9 | 129.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | S351 | S351-G353 PolarHBondContact O-N 2.85Š| ||
| 354 | T | 33.6 | Very low | 41.3 | Very low | 136 Ų | 136 | 137.9 Ų | 137.9 | 83% | 0.834 | 81% | 0.808 | S | S | * | * | trans | -122.1 | 124 | 157.5 | -51.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 355 | H | 42.3 | Very low | 39.9 | Very low | 183 Ų | 183 | 142.4 Ų | 142.4 | 85% | 0.847 | 82% | 0.823 | S | S | * | * | trans | -64.8 | 135 | 175 | -76.3 | -105.5 | 0 | 0 | 0 | 111 | ||||
| 356 | T | 32.2 | Very low | 38.6 | Very low | 145 Ų | 145 | 141.7 Ų | 141.7 | 89% | 0.89 | 83% | 0.827 | S | S | * | * | trans | -150.4 | 141.3 | 136.2 | 29.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 357 | S | 38.4 | Very low | 37.5 | Very low | 122 Ų | 122 | 140.3 Ų | 140.3 | 85% | 0.853 | 83% | 0.83 | S | S | * | * | trans | -91.6 | 139.6 | -177.9 | 50.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 358 | S | 33.8 | Very low | 36.3 | Very low | 127 Ų | 127 | 142.4 Ų | 142.4 | 89% | 0.888 | 84% | 0.84 | S | S | * | * | trans | -154.3 | 149.6 | 153.9 | -171.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 359 | S | 35.7 | Very low | 35.7 | Very low | 115 Ų | 115 | 140.3 Ų | 140.3 | 80% | 0.804 | 84% | 0.836 | S | S | * | * | trans | -116.7 | 139.6 | -169.7 | 107 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 360 | A | 32.5 | Very low | 35 | Very low | 104 Ų | 104 | 139.7 Ų | 139.7 | 86% | 0.86 | 84% | 0.841 | S | S | * | * | trans | -163.8 | 134.9 | 141.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 361 | G | 32.1 | Very low | 34.4 | Very low | 76 Ų | 76 | 141.5 Ų | 141.5 | 78% | 0.784 | 84% | 0.838 | S | S | * | * | trans | -118.5 | 166 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 362 | Q | 29.8 | Very low | 33.8 | Very low | 202 Ų | 202 | 143 Ų | 143 | 94% | 0.944 | 84% | 0.842 | S | S | * | * | trans | -148.3 | 129.3 | 161.4 | -142.1 | 151.1 | -5.4 | 0 | 0 | 111.8 | ||||
| 363 | R | 32.7 | Very low | 33.1 | Very low | 243 Ų | 243 | 137 Ų | 137 | 92% | 0.917 | 83% | 0.83 | S | S | * | * | trans | -98 | 111.3 | -174.3 | -176.3 | 179.3 | -175.5 | 175.6 | 1.9 | 108.8 | K365 | R363-K365 PolarHBondContact O-N 3.04Š| ||
| 364 | S | 32.5 | Very low | 32.5 | Very low | 125 Ų | 125 | 141.3 Ų | 141.3 | 87% | 0.874 | 83% | 0.834 | S | S | * | * | trans | -63.8 | 121.8 | -175.5 | -64.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 365 | K | 33.8 | Very low | 32.3 | Very low | 202 Ų | 202 | 143.4 Ų | 143.4 | 88% | 0.878 | 83% | 0.834 | S | S | * | * | trans | -101.7 | 142.6 | 146 | -74.2 | -178 | 175.9 | -179.8 | 0 | 107.4 | R363 | R363-K365 PolarHBondContact O-N 3.04Š| ||
| 366 | V | 30.5 | Very low | 31.6 | Very low | 137 Ų | 137 | 137.4 Ų | 137.4 | 83% | 0.83 | 82% | 0.822 | S | S | * | * | trans | 178.8 | 120.8 | 131.2 | 148.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 367 | T | 35.2 | Very low | 31.6 | Very low | 137 Ų | 137 | 137.3 Ų | 137.3 | 84% | 0.84 | 82% | 0.822 | S | S | * | * | trans | -132.8 | 113.6 | 166 | -62.2 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 368 | L | 30.7 | Very low | 31.9 | Very low | 155 Ų | 155 | 136.8 Ų | 136.8 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | trans | 176.7 | 140.1 | 170.3 | -112.7 | 116.5 | 0 | 0 | 0 | 105.3 | ||||
| 369 | L | 30.8 | Very low | 32 | Very low | 126 Ų | 126 | 138.2 Ų | 138.2 | 66% | 0.66 | 81% | 0.813 | S | S | * | * | cis | -159.6 | 148.3 | -8.8 | -132.3 | -172.9 | 0 | 0 | 0 | 107.3 | M371 | L369-M371 HydrophobicContact CD2-CG 3.98Š| ||
| 370 | A | 28.4 | Very low | 32.5 | Very low | 100 Ų | 100 | 138.4 Ų | 138.4 | 83% | 0.826 | 81% | 0.812 | S | S | * | * | trans | -151.1 | 102.5 | 156.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 371 | M | 32.3 | Very low | 32.6 | Very low | 159 Ų | 159 | 138.1 Ų | 138.1 | 78% | 0.783 | 81% | 0.809 | S | S | * | * | trans | -77.1 | 151.1 | 165.6 | -66 | -175.8 | 156.7 | 0 | 0 | 108.1 | L369 | L369-M371 HydrophobicContact CD2-CG 3.98Š| ||
| 372 | T | 29.6 | Very low | 32.7 | Very low | 142 Ų | 142 | 139 Ų | 139 | 87% | 0.871 | 81% | 0.809 | S | S | * | * | -161.9 | 164.7 | 58.3 | 38.1 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 373 | G | 26.7 | Very low | 32.8 | Very low | 61 Ų | 61 | 141.4 Ų | 141.4 | 63% | 0.629 | 81% | 0.81 | S | S | * | * | cis | 143.4 | 146.7 | 6.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 374 | L | 28.6 | Very low | 32.7 | Very low | 170 Ų | 170 | 133.1 Ų | 133.1 | 89% | 0.89 | 80% | 0.799 | S | S | * | * | trans | 75.3 | 153.8 | -175.9 | -48.1 | 157.9 | 0 | 0 | 0 | 114.4 | ||||
| 375 | Q | 29.4 | Very low | 32.8 | Very low | 180 Ų | 180 | 135.2 Ų | 135.2 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | cis | -179.5 | 142.9 | -23.7 | 172.6 | 174 | -11.5 | 0 | 0 | 106.9 | ||||
| 376 | G | 27.8 | Very low | 32.8 | Very low | 57 Ų | 57 | 132.9 Ų | 132.9 | 59% | 0.588 | 79% | 0.787 | S | S | * | * | cis | 170.3 | 150.6 | -9.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 377 | T | 32.8 | Very low | 33 | Very low | 144 Ų | 144 | 133 Ų | 133 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | trans | 59.6 | 177.2 | 172.1 | 66.5 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 378 | P | 44.5 | Very low | 33.3 | Very low | 110 Ų | 110 | 133.4 Ų | 133.4 | 71% | 0.714 | 78% | 0.78 | S | S | * | * | -129.2 | 170.6 | -80.5 | 40.2 | -24.6 | 0 | 0 | 0 | 115.2 | |||||
| 379 | D | 36.5 | Very low | 33.8 | Very low | 158 Ų | 158 | 132.6 Ų | 132.6 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | trans | -65 | 149.6 | 162.3 | -101 | -33.9 | 0 | 0 | 0 | 111.5 | ||||
| 380 | P | 46.1 | Very low | 34.7 | Very low | 119 Ų | 119 | 132.6 Ų | 132.6 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | -141.6 | 162.6 | 112.8 | 38.9 | -27.3 | 0 | 0 | 0 | 114.9 | |||||
| 381 | A | 34.6 | Very low | 35.4 | Very low | 98 Ų | 98 | 133.8 Ų | 133.8 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | trans | -90.7 | 167.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 382 | A | 33.5 | Very low | 35.6 | Very low | 95 Ų | 95 | 135.3 Ų | 135.3 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | trans | 99.7 | 144.7 | 153.6 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 383 | R | 32.1 | Very low | 35.9 | Very low | 252 Ų | 252 | 135 Ų | 135 | 95% | 0.951 | 81% | 0.807 | S | S | * | * | trans | 68.2 | 143.5 | -175.8 | -59.4 | -178.7 | -179.5 | 172.1 | 0.4 | 115.4 | ||||
| 384 | G | 31.2 | Very low | 36.4 | Very low | 68 Ų | 68 | 138.8 Ų | 138.8 | 70% | 0.701 | 82% | 0.816 | S | S | * | * | cis | 127.6 | 88.8 | -5.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 385 | Q | 33.4 | Very low | 36.8 | Very low | 169 Ų | 169 | 137.1 Ų | 137.1 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | trans | 73 | 130.9 | 141.3 | -158.2 | 161.7 | 1.9 | 0 | 0 | 120.2 | ||||
| 386 | H | 34.4 | Very low | 37.2 | Very low | 153 Ų | 153 | 134.6 Ų | 134.6 | 71% | 0.708 | 81% | 0.81 | S | S | * | * | trans | 61.8 | 149.7 | 169.9 | -74.2 | -60.5 | 0 | 0 | 0 | 116.6 | ||||
| 387 | D | 34.9 | Very low | 37.8 | Very low | 141 Ų | 141 | 139.4 Ų | 139.4 | 75% | 0.754 | 82% | 0.824 | S | S | * | * | cis | -148.1 | 166.1 | 2.1 | -114.5 | -32.3 | 0 | 0 | 0 | 111.6 | ||||
| 388 | D | 42 | Very low | 38.2 | Very low | 144 Ų | 144 | 139.1 Ų | 139.1 | 77% | 0.77 | 82% | 0.82 | S | S | * | * | trans | -81.2 | 156.9 | 167.4 | -140.4 | -22.5 | 0 | 0 | 0 | 110.6 | ||||
| 389 | V | 41.3 | Very low | 37.7 | Very low | 138 Ų | 138 | 141.2 Ų | 141.2 | 84% | 0.836 | 83% | 0.828 | S | S | * | * | trans | 158.9 | 121 | 147.2 | 157 | 0 | 0 | 0 | 0 | 111 | ||||
| 390 | T | 47.8 | Very low | 37.8 | Very low | 127 Ų | 127 | 139.9 Ų | 139.9 | 78% | 0.779 | 83% | 0.826 | S | S | * | * | trans | -85 | 158.3 | 174.3 | -32.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 391 | V | 44.3 | Very low | 37.1 | Very low | 125 Ų | 125 | 141.7 Ų | 141.7 | 76% | 0.758 | 83% | 0.831 | S | S | * | * | trans | -67.5 | 142 | 174 | 167.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 392 | S | 35.8 | Very low | 37.3 | Very low | 190 Ų | 190 | 145.6 Ų | 145.6 | 100% | 1.329 | 83% | 0.833 | S | S | * | * | trans | 75.5 | 0 | 165.1 | -66.3 | 0 | 0 | 0 | 0 | 118.9 |
Retrieved 392 of 392 residues in 524.8 ms
(Link to these results)