| 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 | 61.2 | Low | 76 | Confident | 172 Ų | 172 | 100.8 Ų | 100.8 | 85% | 0.847 | 50% | 0.496 | S | S | * | . | 0 | -46.4 | 0 | -144 | -176.2 | -67.6 | 0 | 0 | 110.6 | T3 L4 N5 L33 | M1-T3 PolarHBondContact O-N 3.48Å; M1-L4 PolarHBondContact O-N 3.31Å; M1-N5 PolarHBondContact O-N 3.25Å; M1-L33 HydrophobicContact CG-CD2 4.02Å; M1-L33 HydrophobicContact SD-CD2 4.46Å | |||
| 2 | E | 72.9 | Confident | 76.4 | Confident | 166 Ų | 166 | 94.2 Ų | 94.2 | 78% | 0.776 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -57.5 | -42.6 | 178 | -67.2 | 173.3 | 171.5 | 0 | 0 | 114.5 | L4 N5 H6 | E2-L4 VanDerWaalsContact C-N 3.3Å; E2-L4 PolarHBondContact O-N 3.14Å; E2-N5 PolarHBondContact O-N 3.19Å; E2-H6 WeakPolarHBondContact O-CB 3.37Å; E2-H6 PolarHBondContact O-N 3.21Å |
| 3 | T | 75 | Confident | 76.5 | Confident | 107 Ų | 107 | 92.7 Ų | 92.7 | 66% | 0.656 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -64.5 | -34 | 178.8 | -17.3 | 0 | 0 | 0 | 0 | 112.8 | M1 K7 | M1-T3 PolarHBondContact O-N 3.48Å; T3-K7 WeakPolarHBondContact O-CG 3.5Å; T3-K7 PolarHBondContact O-N 2.86Å; T3-K7 VanDerWaalsContact O-N 3.16Å |
| 4 | L | 77.8 | Confident | 76.8 | Confident | 92 Ų | 92 | 95.1 Ų | 95.1 | 48% | 0.482 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -72.3 | -44.3 | 176 | 179.6 | 67.2 | 0 | 0 | 0 | 110.5 | M1 E2 H6 K7 L8 L33 | M1-L4 PolarHBondContact O-N 3.31Å; E2-L4 VanDerWaalsContact C-N 3.3Å; E2-L4 PolarHBondContact O-N 3.14Å; L4-H6 VanDerWaalsContact C-N 3.33Å; L4-H6 PolarHBondContact O-N 3.25Å; L4-K7 PolarHBondContact O-N 3.31Å; L4-L8 HydrophobicContact CD1-CD1 4.32Å; L4-L8 HydrophobicContact CG-CD1 4.03Å; L4-L8 WeakPolarHBondContact O-CB 3.26Å; L4-L8 PolarHBondContact O-N 3.06Å; L4-L33 HydrophobicContact CD2-CD1 4.35Å; L4-L33 HydrophobicContact CD2-CD2 4.31Å |
| 5 | N | 77.5 | Confident | 76.7 | Confident | 21 Ų | 21 | 100.7 Ų | 100.7 | 11% | 0.112 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -59.8 | -44.6 | 176 | -71.3 | -12 | 0 | 0 | 0 | 111.3 | M1 E2 K7 L8 N9 N31 | M1-N5 PolarHBondContact O-N 3.25Å; E2-N5 PolarHBondContact O-N 3.19Å; N5-K7 PolarHBondContact O-N 2.85Å; N5-L8 PolarHBondContact O-N 2.92Å; N5-N9 VanDerWaalsContact O-CB 3.3Å; N5-N9 WeakPolarHBondContact O-CB 3.4Å; N5-N9 PolarHBondContact O-N 3.1Å; N5-N9 PolarHBondContact O-ND2 3.42Å; N5-N31 WeakPolarHBondContact CB-OD1 3.42Å; N5-N31 PolarHBondContact ND2-OD1 2.95Å |
| 6 | H | 76.4 | Confident | 76.7 | Confident | 144 Ų | 144 | 97.1 Ų | 97.1 | 67% | 0.667 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.2 | -40.8 | 178.2 | -165.9 | -55.6 | 0 | 0 | 0 | 112.1 | E2 L4 A10 | E2-H6 WeakPolarHBondContact O-CB 3.37Å; E2-H6 PolarHBondContact O-N 3.21Å; L4-H6 VanDerWaalsContact C-N 3.33Å; L4-H6 PolarHBondContact O-N 3.25Å; H6-A10 VanDerWaalsContact O-CB 3.23Å; H6-A10 WeakPolarHBondContact O-CB 3.42Å; H6-A10 PolarHBondContact O-N 2.91Å |
| 7 | K | 81.8 | Confident | 76.7 | Confident | 152 Ų | 152 | 92.8 Ų | 92.8 | 66% | 0.661 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -65.7 | -43.1 | 175.6 | -76.8 | -177.9 | -179.8 | -173.9 | 0 | 112.2 | T3 L4 N5 Y11 | T3-K7 WeakPolarHBondContact O-CG 3.5Å; T3-K7 PolarHBondContact O-N 2.86Å; T3-K7 VanDerWaalsContact O-N 3.16Å; L4-K7 PolarHBondContact O-N 3.31Å; N5-K7 PolarHBondContact O-N 2.85Å; K7-Y11 WeakPolarHBondContact O-CB 3.41Å; K7-Y11 PolarHBondContact O-N 3.35Å |
| 8 | L | 79.1 | Confident | 76.7 | Confident | 49 Ų | 49 | 94.3 Ų | 94.3 | 26% | 0.257 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.4 | -46.9 | 176.8 | -86 | 163.2 | 0 | 0 | 0 | 111.6 | L4 N5 Y11 F12 L33 | L4-L8 HydrophobicContact CD1-CD1 4.32Å; L4-L8 HydrophobicContact CG-CD1 4.03Å; L4-L8 WeakPolarHBondContact O-CB 3.26Å; L4-L8 PolarHBondContact O-N 3.06Å; N5-L8 PolarHBondContact O-N 2.92Å; L8-Y11 WeakPolarHBondContact O-CB 3.01Å; L8-Y11 PolarHBondContact O-N 3.4Å; L8-F12 HydrophobicContact CB-CE2 4.4Å; L8-F12 HydrophobicContact CD2-CE2 4.22Å; L8-F12 HydrophobicContact CD2-CZ 4.32Å; L8-F12 WeakPolarHBondContact O-CD2 3.42Å; L8-F12 WeakPolarHBondContact O-CG 3.33Å; L8-F12 PolarHBondContact O-N 3.31Å; L8-L33 HydrophobicContact CD1-CD1 4.46Å |
| 9 | N | 76.7 | Confident | 76.9 | Confident | 20 Ų | 20 | 91.6 Ų | 91.6 | 11% | 0.107 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -63.3 | -44 | 178.6 | -71.6 | -12.1 | 0 | 0 | 0 | 111 | N5 Y11 F12 E13 D30 | N5-N9 VanDerWaalsContact O-CB 3.3Å; N5-N9 WeakPolarHBondContact O-CB 3.4Å; N5-N9 PolarHBondContact O-N 3.1Å; N5-N9 PolarHBondContact O-ND2 3.42Å; N9-Y11 VanDerWaalsContact C-N 3.33Å; N9-Y11 PolarHBondContact O-N 2.81Å; N9-F12 PolarHBondContact O-N 3.45Å; N9-E13 WeakPolarHBondContact O-CB 3.27Å; N9-E13 WeakPolarHBondContact O-CG 3.5Å; N9-E13 PolarHBondContact O-N 3.01Å; N9-D30 PolarHBondContact ND2-O 3.43Å |
| 10 | A | 76.4 | Confident | 77 | Confident | 38 Ų | 38 | 88.4 Ų | 88.4 | 31% | 0.314 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.8 | -38.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | H6 E13 T14 | H6-A10 VanDerWaalsContact O-CB 3.23Å; H6-A10 WeakPolarHBondContact O-CB 3.42Å; H6-A10 PolarHBondContact O-N 2.91Å; A10-E13 PolarHBondContact O-N 2.85Å; A10-T14 WeakPolarHBondContact O-CB 3.41Å; A10-T14 PolarHBondContact O-N 2.94Å; A10-T14 PolarHBondContact O-OG1 3.33Å |
| 11 | Y | 81.5 | Confident | 77.1 | Confident | 148 Ų | 148 | 92.3 Ų | 92.3 | 58% | 0.58 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -62.3 | -47.1 | 174.7 | 178.8 | -96.3 | 0 | 0 | 0 | 111.6 | K7 L8 N9 T14 W15 | K7-Y11 WeakPolarHBondContact O-CB 3.41Å; K7-Y11 PolarHBondContact O-N 3.35Å; L8-Y11 WeakPolarHBondContact O-CB 3.01Å; L8-Y11 PolarHBondContact O-N 3.4Å; N9-Y11 VanDerWaalsContact C-N 3.33Å; N9-Y11 PolarHBondContact O-N 2.81Å; Y11-T14 PolarHBondContact O-N 3.27Å; Y11-W15 WeakPolarHBondContact O-CB 2.89Å; Y11-W15 PolarHBondContact O-N 3.2Å |
| 12 | F | 80.9 | Confident | 78.1 | Confident | 21 Ų | 21 | 88 Ų | 88 | 9% | 0.092 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -65.5 | -40 | 177.5 | -67.2 | -48.7 | 0 | 0 | 0 | 112.7 | L8 N9 T14 W15 M16 Y32 W155 F156 W160 | L8-F12 HydrophobicContact CB-CE2 4.4Å; L8-F12 HydrophobicContact CD2-CE2 4.22Å; L8-F12 HydrophobicContact CD2-CZ 4.32Å; L8-F12 WeakPolarHBondContact O-CD2 3.42Å; L8-F12 WeakPolarHBondContact O-CG 3.33Å; L8-F12 PolarHBondContact O-N 3.31Å; N9-F12 PolarHBondContact O-N 3.45Å; F12-T14 VanDerWaalsContact C-N 3.31Å; F12-T14 PolarHBondContact O-N 2.91Å; F12-W15 PolarHBondContact O-N 3.09Å; F12-M16 HydrophobicContact CB-CE 4.33Å; F12-M16 HydrophobicContact CD1-CE 4.24Å; F12-M16 WeakPolarHBondContact O-CB 3.45Å; F12-M16 PolarHBondContact O-N 2.88Å; F12-Y32 AromaticContact CE2-CD1 3.83Å; F12-Y32 HydrophobicContact CE2-CD1 3.83Å; F12-Y32 AromaticContact CE2-CG 3.98Å; F12-Y32 HydrophobicContact CE2-CG 3.98Å; F12-Y32 AromaticContact CZ-CD1 3.83Å; F12-Y32 HydrophobicContact CZ-CD1 3.83Å; F12-Y32 HydrophobicContact CZ-CE1 4.24Å; F12-Y32 HydrophobicContact CZ-CG 4.31Å; F12-W155 HydrophobicContact CD2-CH2 4.48Å; F12-F156 HydrophobicContact CD1-CE1 4.11Å; F12-F156 AromaticContact CE1-CE1 3.89Å; F12-F156 HydrophobicContact CE1-CE1 3.89Å; F12-F156 HydrophobicContact CE1-CZ 4.04Å; F12-F156 HydrophobicContact CE2-CE1 4.49Å; F12-F156 HydrophobicContact CZ-CE1 4.09Å; F12-F156 HydrophobicContact CZ-CZ 4.07Å; F12-W160 HydrophobicContact CB-CH2 3.64Å; F12-W160 HydrophobicContact CB-CZ2 3.87Å; F12-W160 HydrophobicContact CG-CH2 4.34Å |
| 13 | E | 77.7 | Confident | 78.5 | Confident | 75 Ų | 75 | 80.2 Ų | 80.2 | 35% | 0.35 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.8 | -35.9 | 176.3 | -75.1 | 175 | -171.7 | 0 | 0 | 111.8 | N9 A10 G17 R19 | N9-E13 WeakPolarHBondContact O-CB 3.27Å; N9-E13 WeakPolarHBondContact O-CG 3.5Å; N9-E13 PolarHBondContact O-N 3.01Å; A10-E13 PolarHBondContact O-N 2.85Å; E13-G17 WeakPolarHBondContact CA-O 3.46Å; E13-G17 CarbonylContact O-C 3.41Å; E13-G17 WeakPolarHBondContact O-CA 2.84Å; E13-G17 PolarHBondContact O-N 3.36Å; E13-R19 HydrophobicContact CG-CG 4.34Å; E13-R19 IonicContact OE1-CZ 3.31Å; E13-R19 IonicContact OE1-NE 3.09Å; E13-R19 PolarHBondContact OE1-NE 3.09Å; E13-R19 IonicContact OE1-NH2 2.7Å; E13-R19 PolarHBondContact OE1-NH2 3.17Å |
| 14 | T | 80.4 | Confident | 78.7 | Confident | 126 Ų | 126 | 80.4 Ų | 80.4 | 77% | 0.773 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -66.6 | -38.6 | 174 | -53.8 | 0 | 0 | 0 | 0 | 111.6 | A10 Y11 F12 | A10-T14 WeakPolarHBondContact O-CB 3.41Å; A10-T14 PolarHBondContact O-N 2.94Å; A10-T14 PolarHBondContact O-OG1 3.33Å; Y11-T14 PolarHBondContact O-N 3.27Å; F12-T14 VanDerWaalsContact C-N 3.31Å; F12-T14 PolarHBondContact O-N 2.91Å |
| 15 | W | 75.8 | Confident | 78.7 | Confident | 180 Ų | 180 | 79 Ų | 79 | 68% | 0.682 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -83.1 | -39 | -175.1 | -173 | 55.1 | 0 | 0 | 0 | 113.8 | Y11 F12 | Y11-W15 WeakPolarHBondContact O-CB 2.89Å; Y11-W15 PolarHBondContact O-N 3.2Å; F12-W15 PolarHBondContact O-N 3.09Å |
| 16 | M | 75.8 | Confident | 79.1 | Confident | 43 Ų | 43 | 80 Ų | 80 | 21% | 0.212 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -111.9 | -6.6 | -173 | -64 | -163.4 | -71.4 | 0 | 0 | 114.1 | F12 F156 W160 W231 | F12-M16 HydrophobicContact CB-CE 4.33Å; F12-M16 HydrophobicContact CD1-CE 4.24Å; F12-M16 WeakPolarHBondContact O-CB 3.45Å; F12-M16 PolarHBondContact O-N 2.88Å; M16-F156 HydrophobicContact CE-CD1 3.36Å; M16-F156 HydrophobicContact CE-CE1 3.6Å; M16-F156 HydrophobicContact CE-CG 4.43Å; M16-F156 HydrophobicContact SD-CD1 4.43Å; M16-W160 HydrophobicContact CB-CD2 4.14Å; M16-W160 VanDerWaalsContact CB-CE2 3.49Å; M16-W160 HydrophobicContact CB-CG 4.38Å; M16-W160 HydrophobicContact CB-CZ2 3.87Å; M16-W160 VanDerWaalsContact CB-NE1 3.34Å; M16-W160 HydrophobicContact CE-CD2 3.92Å; M16-W160 HydrophobicContact CE-CE3 3.68Å; M16-W160 HydrophobicContact CE-CH2 3.32Å; M16-W160 HydrophobicContact CE-CZ2 3.52Å; M16-W160 HydrophobicContact CE-CZ3 3.41Å; M16-W160 VanDerWaalsContact CE-CZ3 3.41Å; M16-W160 PolarHBondContact O-NE1 2.64Å; M16-W160 HydrophobicContact SD-CD2 4.48Å; M16-W231 HydrophobicContact SD-CH2 3.64Å; M16-W231 HydrophobicContact SD-CZ2 3.63Å |
| 17 | G | 76.4 | Confident | 79.5 | Confident | 24 Ų | 24 | 78.5 Ų | 78.5 | 25% | 0.247 | 40% | 0.399 | C | S | . | . | trans | 89.5 | -175.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | E13 W160 | E13-G17 WeakPolarHBondContact CA-O 3.46Å; E13-G17 CarbonylContact O-C 3.41Å; E13-G17 WeakPolarHBondContact O-CA 2.84Å; E13-G17 PolarHBondContact O-N 3.36Å; G17-W160 PolarHBondContact O-NE1 3.05Å | ||
| 18 | P | 77.2 | Confident | 79.6 | Confident | 119 Ų | 119 | 73.3 Ų | 73.3 | 77% | 0.773 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 139.6 | -176 | 27.4 | -34.1 | 0 | 0 | 0 | 111.5 | ||
| 19 | R | 80.3 | Confident | 79.9 | Confident | 44 Ų | 44 | 71 Ų | 71 | 17% | 0.166 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -70.4 | 152.2 | 173.5 | -69.6 | -176 | -74.2 | 165.2 | -1.4 | 111.4 | E13 K21 D30 N159 W160 | E13-R19 HydrophobicContact CG-CG 4.34Å; E13-R19 IonicContact OE1-CZ 3.31Å; E13-R19 IonicContact OE1-NE 3.09Å; E13-R19 PolarHBondContact OE1-NE 3.09Å; E13-R19 IonicContact OE1-NH2 2.7Å; E13-R19 PolarHBondContact OE1-NH2 3.17Å; R19-K21 PolarHBondContact O-N 3.16Å; R19-D30 PolarHBondContact NH1-O 3.08Å; R19-N159 WeakPolarHBondContact CA-O 3.39Å; R19-N159 WeakPolarHBondContact CD-OD1 3.45Å; R19-N159 HydrophobicContact CG-CB 4.35Å; R19-W160 HydrophobicContact CG-CH2 4.12Å; R19-W160 HydrophobicContact CG-CZ2 3.84Å |
| 20 | D | 79 | Confident | 80.1 | Confident | 27 Ų | 27 | 73 Ų | 73 | 14% | 0.144 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 124.1 | 173.9 | -166 | -41.5 | 0 | 0 | 0 | 109.8 | R22 V23 N159 P162 | D20-R22 PolarHBondContact O-N 3.33Å; D20-R22 WeakPolarHBondContact OD1-CB 3.43Å; D20-R22 VanDerWaalsContact OD1-CG 3.28Å; D20-R22 WeakPolarHBondContact OD1-CG 3.38Å; D20-R22 IonicContact OD1-CZ 3.86Å; D20-R22 PolarHBondContact OD1-N 3.49Å; D20-R22 IonicContact OD1-NE 3.83Å; D20-R22 PolarHBondContact OD1-NE 3.27Å; D20-R22 VanDerWaalsContact OD1-NE 3.07Å; D20-R22 IonicContact OD2-CZ 4Å; D20-R22 VanDerWaalsContact OD2-CZ 3.31Å; D20-R22 IonicContact OD2-NE 3.07Å; D20-R22 PolarHBondContact OD2-NE 2.99Å; D20-R22 VanDerWaalsContact OD2-NE 3.09Å; D20-R22 IonicContact OD2-NH2 3.72Å; D20-R22 PolarHBondContact OD2-NH2 3.11Å; D20-V23 HydrophobicContact CB-CG2 4.32Å; D20-V23 WeakPolarHBondContact O-CG2 3.29Å; D20-N159 PolarHBondContact N-O 2.99Å; D20-P162 HydrophobicContact CB-CG 3.85Å; D20-P162 WeakPolarHBondContact OD2-CD 3.14Å; D20-P162 VanDerWaalsContact OD2-CG 3.27Å; D20-P162 WeakPolarHBondContact OD2-CG 3.45Å |
| 21 | K | 80.4 | Confident | 80.5 | Confident | 170 Ų | 170 | 73.7 Ų | 73.7 | 74% | 0.739 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -67.9 | -22.8 | -178.5 | -65.2 | -177.4 | -179.6 | 179.1 | 0 | 112.4 | R19 V23 Q24 | R19-K21 PolarHBondContact O-N 3.16Å; K21-V23 PolarHBondContact O-N 2.93Å; K21-Q24 PolarHBondContact O-N 3.11Å |
| 22 | R | 80.4 | Confident | 80.6 | Confident | 83 Ų | 83 | 68.4 Ų | 68.4 | 31% | 0.313 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -69.9 | -18.6 | -176.1 | -61.8 | 175.4 | -72.4 | -167 | -4.7 | 113.2 | D20 T99 D100 D106 I110 C163 | D20-R22 PolarHBondContact O-N 3.33Å; D20-R22 WeakPolarHBondContact OD1-CB 3.43Å; D20-R22 VanDerWaalsContact OD1-CG 3.28Å; D20-R22 WeakPolarHBondContact OD1-CG 3.38Å; D20-R22 IonicContact OD1-CZ 3.86Å; D20-R22 PolarHBondContact OD1-N 3.49Å; D20-R22 IonicContact OD1-NE 3.83Å; D20-R22 PolarHBondContact OD1-NE 3.27Å; D20-R22 VanDerWaalsContact OD1-NE 3.07Å; D20-R22 IonicContact OD2-CZ 4Å; D20-R22 VanDerWaalsContact OD2-CZ 3.31Å; D20-R22 IonicContact OD2-NE 3.07Å; D20-R22 PolarHBondContact OD2-NE 2.99Å; D20-R22 VanDerWaalsContact OD2-NE 3.09Å; D20-R22 IonicContact OD2-NH2 3.72Å; D20-R22 PolarHBondContact OD2-NH2 3.11Å; R22-T99 PolarHBondContact NH1-O 3.47Å; R22-T99 VanDerWaalsContact NH1-O 3.08Å; R22-T99 PolarHBondContact NH2-O 3.43Å; R22-T99 VanDerWaalsContact NH2-O 3.16Å; R22-D100 IonicContact NH1-OD1 2.64Å; R22-D100 IonicContact NH2-OD1 3.49Å; R22-D106 IonicContact NH1-OD2 2.77Å; R22-I110 HydrophobicContact CB-CD1 3.9Å; R22-I110 HydrophobicContact CG-CD1 4.39Å; R22-C163 PolarHBondContact NH2-SG 3.32Å |
| 23 | V | 81.8 | Confident | 80.9 | Confident | 2 Ų | 2 | 69.6 Ų | 69.6 | 1% | 0.012 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -102.3 | -1.7 | -180 | -62.5 | 0 | 0 | 0 | 0 | 113.8 | D20 K21 M26 L29 I110 M158 P162 | D20-V23 HydrophobicContact CB-CG2 4.32Å; D20-V23 WeakPolarHBondContact O-CG2 3.29Å; K21-V23 PolarHBondContact O-N 2.93Å; V23-M26 HydrophobicContact CB-SD 4.09Å; V23-M26 HydrophobicContact CG1-SD 4.13Å; V23-M26 WeakPolarHBondContact O-CB 3.38Å; V23-M26 WeakPolarHBondContact O-CG 3.31Å; V23-M26 PolarHBondContact O-N 3.16Å; V23-L29 HydrophobicContact CB-CD1 4.11Å; V23-I110 HydrophobicContact CG1-CG2 3.59Å; V23-M158 HydrophobicContact CG1-CE 4.14Å; V23-M158 WeakPolarHBondContact CG1-O 3.35Å; V23-M158 WeakPolarHBondContact CG2-O 3.41Å; V23-P162 HydrophobicContact CG1-CB 3.74Å; V23-P162 HydrophobicContact CG1-CG 3.87Å |
| 24 | Q | 78.6 | Confident | 81.5 | Confident | 111 Ų | 111 | 68.4 Ų | 68.4 | 52% | 0.519 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | 133.9 | -179.9 | -68 | -178.3 | -12.4 | 0 | 0 | 110.9 | K21 M26 | K21-Q24 PolarHBondContact O-N 3.11Å; Q24-M26 VanDerWaalsContact C-N 3.29Å |
| 25 | G | 79.6 | Confident | 81.9 | Confident | 62 Ų | 62 | 62.4 Ų | 62.4 | 64% | 0.639 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83 | -0.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | D30 | G25-D30 PolarHBondContact N-OD1 3.26Š|
| 26 | M | 84.4 | Confident | 82.6 | Confident | 43 Ų | 43 | 58.6 Ų | 58.6 | 21% | 0.212 | 31% | 0.312 | C | S | . | . | trans | -75 | 138.4 | 172.2 | -63.6 | -173.3 | 90.8 | 0 | 0 | 110.7 | V23 Q24 L28 L29 I110 W114 | V23-M26 HydrophobicContact CB-SD 4.09Å; V23-M26 HydrophobicContact CG1-SD 4.13Å; V23-M26 WeakPolarHBondContact O-CB 3.38Å; V23-M26 WeakPolarHBondContact O-CG 3.31Å; V23-M26 PolarHBondContact O-N 3.16Å; Q24-M26 VanDerWaalsContact C-N 3.29Å; M26-L28 PolarHBondContact O-N 3.24Å; M26-L29 HydrophobicContact CB-CB 4.37Å; M26-L29 HydrophobicContact CB-CD1 3.96Å; M26-L29 HydrophobicContact CB-CG 4.41Å; M26-L29 PolarHBondContact O-N 3.04Å; M26-L29 VanDerWaalsContact O-N 3.08Å; M26-L29 HydrophobicContact SD-CD1 4.26Å; M26-I110 HydrophobicContact SD-CG2 4.37Å; M26-W114 HydrophobicContact CE-CB 3.39Å; M26-W114 HydrophobicContact CE-CD2 4.12Å; M26-W114 HydrophobicContact CE-CG 3.43Å; M26-W114 VanDerWaalsContact CE-CG 3.43Å; M26-W114 HydrophobicContact SD-CB 4.35Å; M26-W114 HydrophobicContact SD-CG 4.38Å | ||
| 27 | L | 86.1 | Confident | 83.4 | Confident | 112 Ų | 112 | 59.2 Ų | 59.2 | 59% | 0.586 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 131.4 | -176.3 | -179 | 73.8 | 0 | 0 | 0 | 111.3 | L29 W114 | L27-L29 PolarHBondContact O-N 3.17Å; L27-W114 HydrophobicContact CB-CZ2 3.9Å; L27-W114 HydrophobicContact CD2-CZ2 4.23Å; L27-W114 PolarHBondContact O-NE1 3.23Å |
| 28 | L | 83.9 | Confident | 84.2 | Confident | 43 Ų | 43 | 59.9 Ų | 59.9 | 23% | 0.225 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.7 | 8.6 | -178.5 | -63.3 | 170.7 | 0 | 0 | 0 | 116.4 | M26 P34 L38 Y117 L121 W155 | M26-L28 PolarHBondContact O-N 3.24Å; L28-P34 HydrophobicContact CD2-CB 3.76Å; L28-L38 HydrophobicContact CD1-CD1 4.37Å; L28-L38 HydrophobicContact CD2-CD1 4.41Å; L28-Y117 HydrophobicContact CB-CE1 3.99Å; L28-Y117 PolarHBondContact O-OH 2.56Å; L28-L121 HydrophobicContact CD1-CD2 3.94Å; L28-W155 VanDerWaalsContact O-CD1 3.25Å; L28-W155 PolarHBondContact O-NE1 3.34Å; L28-W155 VanDerWaalsContact O-NE1 3.14Å |
| 29 | L | 84.3 | Confident | 84.9 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | -24.8 | 177.2 | -69.2 | -174.5 | 0 | 0 | 0 | 114.1 | V23 M26 L27 N31 Y117 W155 M158 N159 | V23-L29 HydrophobicContact CB-CD1 4.11Å; M26-L29 HydrophobicContact CB-CB 4.37Å; M26-L29 HydrophobicContact CB-CD1 3.96Å; M26-L29 HydrophobicContact CB-CG 4.41Å; M26-L29 PolarHBondContact O-N 3.04Å; M26-L29 VanDerWaalsContact O-N 3.08Å; M26-L29 HydrophobicContact SD-CD1 4.26Å; L27-L29 PolarHBondContact O-N 3.17Å; L29-N31 VanDerWaalsContact C-N 3.32Å; L29-N31 PolarHBondContact O-N 3.49Å; L29-Y117 HydrophobicContact CD2-CD1 4Å; L29-Y117 HydrophobicContact CD2-CE1 3.82Å; L29-Y117 HydrophobicContact CG-CE1 4.45Å; L29-W155 WeakPolarHBondContact O-CZ2 3.27Å; L29-W155 PolarHBondContact O-NE1 3.45Å; L29-M158 HydrophobicContact CD1-CB 3.83Å; L29-M158 HydrophobicContact CD1-CE 4Å; L29-M158 HydrophobicContact CD1-CG 4.37Å; L29-M158 HydrophobicContact CD2-CB 3.71Å; L29-M158 HydrophobicContact CD2-CG 4.3Å; L29-M158 HydrophobicContact CG-CB 4.48Å; L29-N159 PolarHBondContact O-ND2 3.46Å; L29-N159 PolarHBondContact O-OD1 3.45Å |
| 30 | D | 81.6 | Confident | 85.6 | Confident | 62 Ų | 62 | 55.4 Ų | 55.4 | 33% | 0.332 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -66.5 | -31.8 | -176.2 | -66.3 | -35.4 | 0 | 0 | 0 | 114.3 | N9 R19 G25 | N9-D30 PolarHBondContact ND2-O 3.43Å; R19-D30 PolarHBondContact NH1-O 3.08Å; G25-D30 PolarHBondContact N-OD1 3.26Å |
| 31 | N | 83.8 | Confident | 86.3 | Confident | 53 Ų | 53 | 58.7 Ų | 58.7 | 28% | 0.283 | 31% | 0.312 | S | S | . | . | trans | -129.2 | 136.5 | -176.5 | -63.6 | -74.1 | 0 | 0 | 0 | 109.8 | N5 L29 P34 W155 | N5-N31 WeakPolarHBondContact CB-OD1 3.42Å; N5-N31 PolarHBondContact ND2-OD1 2.95Å; L29-N31 VanDerWaalsContact C-N 3.32Å; L29-N31 PolarHBondContact O-N 3.49Å; N31-P34 HydrophobicContact CB-CG 4.21Å; N31-P34 WeakPolarHBondContact O-CD 3.41Å; N31-W155 PolarHBondContact O-NE1 3.46Å | ||
| 32 | Y | 85.4 | Confident | 87 | Confident | 36 Ų | 36 | 51 Ų | 51 | 14% | 0.141 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -76 | -29.6 | 175.3 | -177.4 | -122.4 | 0 | 0 | 0 | 112.9 | F12 T35 F36 N152 W155 F156 | F12-Y32 AromaticContact CE2-CD1 3.83Å; F12-Y32 HydrophobicContact CE2-CD1 3.83Å; F12-Y32 AromaticContact CE2-CG 3.98Å; F12-Y32 HydrophobicContact CE2-CG 3.98Å; F12-Y32 AromaticContact CZ-CD1 3.83Å; F12-Y32 HydrophobicContact CZ-CD1 3.83Å; F12-Y32 HydrophobicContact CZ-CE1 4.24Å; F12-Y32 HydrophobicContact CZ-CG 4.31Å; Y32-T35 WeakPolarHBondContact O-CB 3.43Å; Y32-T35 PolarHBondContact O-N 2.99Å; Y32-T35 VanDerWaalsContact O-N 3.11Å; Y32-F36 HydrophobicContact CD1-CB 4.4Å; Y32-F36 HydrophobicContact CE1-CB 4.01Å; Y32-F36 HydrophobicContact CE1-CD2 4.32Å; Y32-F36 HydrophobicContact CE1-CG 4.4Å; Y32-F36 PolarHBondContact O-N 2.83Å; Y32-N152 PolarHBondContact OH-OD1 2.88Å; Y32-W155 AromaticContact CD2-CD2 3.62Å; Y32-W155 HydrophobicContact CD2-CD2 3.62Å; Y32-W155 AromaticContact CD2-CE3 3.48Å; Y32-W155 HydrophobicContact CD2-CE3 3.48Å; Y32-W155 VanDerWaalsContact CD2-CE3 3.48Å; Y32-W155 HydrophobicContact CD2-CG 4.19Å; Y32-W155 HydrophobicContact CD2-CH2 4.3Å; Y32-W155 HydrophobicContact CD2-CZ2 4.39Å; Y32-W155 AromaticContact CD2-CZ3 3.83Å; Y32-W155 HydrophobicContact CD2-CZ3 3.83Å; Y32-W155 HydrophobicContact CE2-CD2 4.43Å; Y32-W155 HydrophobicContact CE2-CE3 4.19Å; Y32-W155 HydrophobicContact CG-CD2 4.49Å; Y32-W155 HydrophobicContact CG-CE3 4.26Å; Y32-W155 HydrophobicContact CG-CH2 4.32Å; Y32-W155 HydrophobicContact CG-CZ3 4.16Å; Y32-F156 HydrophobicContact CD2-CZ 4.38Å; Y32-F156 HydrophobicContact CE2-CE2 4.01Å; Y32-F156 HydrophobicContact CE2-CZ 4.01Å |
| 33 | L | 86.6 | Confident | 87.7 | Confident | 47 Ų | 47 | 50.7 Ų | 50.7 | 25% | 0.246 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.7 | -42.2 | -172.4 | -161.8 | 72.3 | 0 | 0 | 0 | 113.7 | M1 L4 L8 F36 A37 | M1-L33 HydrophobicContact CG-CD2 4.02Å; M1-L33 HydrophobicContact SD-CD2 4.46Å; L4-L33 HydrophobicContact CD2-CD1 4.35Å; L4-L33 HydrophobicContact CD2-CD2 4.31Å; L8-L33 HydrophobicContact CD1-CD1 4.46Å; L33-F36 PolarHBondContact O-N 3.3Å; L33-A37 VanDerWaalsContact O-CB 3.29Å; L33-A37 WeakPolarHBondContact O-CB 3.2Å; L33-A37 PolarHBondContact O-N 3.39Å |
| 34 | P | 89.5 | Confident | 88.3 | Confident | 50 Ų | 50 | 54.9 Ų | 54.9 | 33% | 0.325 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.5 | -45.2 | 173.7 | -25.1 | 35.9 | 0 | 0 | 0 | 113.4 | L28 N31 F36 A37 L38 | L28-P34 HydrophobicContact CD2-CB 3.76Å; N31-P34 HydrophobicContact CB-CG 4.21Å; N31-P34 WeakPolarHBondContact O-CD 3.41Å; P34-F36 PolarHBondContact O-N 3.02Å; P34-A37 PolarHBondContact O-N 2.9Å; P34-L38 WeakPolarHBondContact O-CB 3.38Å; P34-L38 VanDerWaalsContact O-CG 3.26Å; P34-L38 WeakPolarHBondContact O-CG 3.31Å; P34-L38 PolarHBondContact O-N 2.94Å |
| 35 | T | 89.1 | Confident | 89 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 179 | -54.4 | 0 | 0 | 0 | 0 | 111.8 | Y32 L38 T39 Y117 L151 W155 | Y32-T35 WeakPolarHBondContact O-CB 3.43Å; Y32-T35 PolarHBondContact O-N 2.99Å; Y32-T35 VanDerWaalsContact O-N 3.11Å; T35-L38 PolarHBondContact O-N 3.32Å; T35-T39 PolarHBondContact O-N 2.97Å; T35-T39 PolarHBondContact O-OG1 3.42Å; T35-Y117 HydrophobicContact CG2-CE2 4.38Å; T35-Y117 PolarHBondContact OG1-OH 3.05Å; T35-L151 HydrophobicContact CG2-CD2 4.06Å; T35-L151 HydrophobicContact CG2-CG 3.81Å; T35-W155 HydrophobicContact CG2-CB 4.09Å; T35-W155 HydrophobicContact CG2-CG 4.33Å; T35-W155 VanDerWaalsContact OG1-CD1 3.25Å |
| 36 | F | 89.8 | Confident | 89.7 | Confident | 100 Ų | 100 | 50.8 Ų | 50.8 | 44% | 0.439 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.4 | -45.9 | 174.6 | -177.8 | -105.9 | 0 | 0 | 0 | 111.5 | Y32 L33 P34 L38 T39 V40 | Y32-F36 HydrophobicContact CD1-CB 4.4Å; Y32-F36 HydrophobicContact CE1-CB 4.01Å; Y32-F36 HydrophobicContact CE1-CD2 4.32Å; Y32-F36 HydrophobicContact CE1-CG 4.4Å; Y32-F36 PolarHBondContact O-N 2.83Å; L33-F36 PolarHBondContact O-N 3.3Å; P34-F36 PolarHBondContact O-N 3.02Å; F36-L38 PolarHBondContact O-N 3.24Å; F36-T39 WeakPolarHBondContact O-CB 3.27Å; F36-T39 PolarHBondContact O-N 3.44Å; F36-T39 VanDerWaalsContact O-N 3.13Å; F36-V40 HydrophobicContact CD1-CG2 4.21Å; F36-V40 HydrophobicContact CE1-CG2 3.78Å; F36-V40 HydrophobicContact CE2-CG2 4.23Å; F36-V40 HydrophobicContact CZ-CG2 3.79Å; F36-V40 WeakPolarHBondContact O-CG2 3.16Å; F36-V40 PolarHBondContact O-N 2.9Å |
| 37 | A | 92.7 | Very high | 90 | Very high | 55 Ų | 55 | 56.2 Ų | 56.2 | 46% | 0.455 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.6 | -42.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L33 P34 T39 V40 M41 | L33-A37 VanDerWaalsContact O-CB 3.29Å; L33-A37 WeakPolarHBondContact O-CB 3.2Å; L33-A37 PolarHBondContact O-N 3.39Å; P34-A37 PolarHBondContact O-N 2.9Å; A37-T39 VanDerWaalsContact C-N 3.31Å; A37-T39 PolarHBondContact O-N 3.31Å; A37-V40 PolarHBondContact O-N 3.39Å; A37-M41 VanDerWaalsContact O-CB 3.31Å; A37-M41 WeakPolarHBondContact O-CB 3.44Å; A37-M41 PolarHBondContact O-N 3.16Å |
| 38 | L | 93.4 | Very high | 90.4 | Very high | 39 Ų | 39 | 55 Ų | 55 | 20% | 0.204 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.2 | -38.5 | 175 | -71.3 | 167.5 | 0 | 0 | 0 | 111.7 | L28 P34 T35 F36 M41 Y42 L121 L151 | L28-L38 HydrophobicContact CD1-CD1 4.37Å; L28-L38 HydrophobicContact CD2-CD1 4.41Å; P34-L38 WeakPolarHBondContact O-CB 3.38Å; P34-L38 VanDerWaalsContact O-CG 3.26Å; P34-L38 WeakPolarHBondContact O-CG 3.31Å; P34-L38 PolarHBondContact O-N 2.94Å; T35-L38 PolarHBondContact O-N 3.32Å; F36-L38 PolarHBondContact O-N 3.24Å; L38-M41 HydrophobicContact CD2-CE 3.79Å; L38-Y42 WeakPolarHBondContact O-CB 3.47Å; L38-Y42 PolarHBondContact O-N 2.99Å; L38-L121 HydrophobicContact CB-CD1 4.22Å; L38-L121 HydrophobicContact CD1-CD1 3.81Å; L38-L121 HydrophobicContact CD1-CD2 3.97Å; L38-L121 HydrophobicContact CD2-CD1 4.22Å; L38-L121 HydrophobicContact CG-CD1 4.31Å; L38-L151 HydrophobicContact CB-CD2 4.4Å |
| 39 | T | 93.3 | Very high | 90.7 | Very high | 10 Ų | 10 | 53.5 Ų | 53.5 | 6% | 0.061 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.7 | -45.2 | 175.6 | -54.1 | 0 | 0 | 0 | 0 | 111.8 | T35 F36 A37 M41 Y42 L43 A148 N152 | T35-T39 PolarHBondContact O-N 2.97Å; T35-T39 PolarHBondContact O-OG1 3.42Å; F36-T39 WeakPolarHBondContact O-CB 3.27Å; F36-T39 PolarHBondContact O-N 3.44Å; F36-T39 VanDerWaalsContact O-N 3.13Å; A37-T39 VanDerWaalsContact C-N 3.31Å; A37-T39 PolarHBondContact O-N 3.31Å; T39-M41 VanDerWaalsContact C-N 3.33Å; T39-M41 PolarHBondContact O-N 2.92Å; T39-Y42 WeakPolarHBondContact O-CB 3.34Å; T39-Y42 PolarHBondContact O-N 3.29Å; T39-L43 HydrophobicContact CG2-CD1 4.48Å; T39-L43 WeakPolarHBondContact O-CG 3.12Å; T39-L43 PolarHBondContact O-N 2.96Å; T39-A148 HydrophobicContact CG2-CB 4.11Å; T39-N152 WeakPolarHBondContact CG2-ND2 3.28Å; T39-N152 PolarHBondContact OG1-ND2 3.29Å |
| 40 | V | 94.1 | Very high | 91 | Very high | 58 Ų | 58 | 55.3 Ų | 55.3 | 35% | 0.352 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.8 | -44.8 | 176.4 | 171.8 | 0 | 0 | 0 | 0 | 110.4 | F36 A37 Y42 L43 L44 | F36-V40 HydrophobicContact CD1-CG2 4.21Å; F36-V40 HydrophobicContact CE1-CG2 3.78Å; F36-V40 HydrophobicContact CE2-CG2 4.23Å; F36-V40 HydrophobicContact CZ-CG2 3.79Å; F36-V40 WeakPolarHBondContact O-CG2 3.16Å; F36-V40 PolarHBondContact O-N 2.9Å; A37-V40 PolarHBondContact O-N 3.39Å; V40-Y42 VanDerWaalsContact C-N 3.33Å; V40-Y42 PolarHBondContact O-N 2.75Å; V40-L43 PolarHBondContact O-N 3.27Å; V40-L44 HydrophobicContact CG1-CD1 4.08Å; V40-L44 HydrophobicContact CG1-CG 4.4Å; V40-L44 VanDerWaalsContact O-CG 3.31Å; V40-L44 WeakPolarHBondContact O-CG 3.31Å; V40-L44 PolarHBondContact O-N 3.09Å |
| 41 | M | 94.8 | Very high | 91.5 | Very high | 96 Ų | 96 | 57.7 Ų | 57.7 | 47% | 0.473 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.1 | -44.2 | 175.5 | -175.9 | -173.6 | 67.8 | 0 | 0 | 111.5 | A37 L38 T39 L44 I45 | A37-M41 VanDerWaalsContact O-CB 3.31Å; A37-M41 WeakPolarHBondContact O-CB 3.44Å; A37-M41 PolarHBondContact O-N 3.16Å; L38-M41 HydrophobicContact CD2-CE 3.79Å; T39-M41 VanDerWaalsContact C-N 3.33Å; T39-M41 PolarHBondContact O-N 2.92Å; M41-L44 PolarHBondContact O-N 2.95Å; M41-I45 HydrophobicContact CG-CD1 4.01Å; M41-I45 VanDerWaalsContact O-CG1 3.31Å; M41-I45 WeakPolarHBondContact O-CG1 3.46Å; M41-I45 PolarHBondContact O-N 3.24Å |
| 42 | Y | 94.7 | Very high | 91.9 | Very high | 8 Ų | 8 | 61.9 Ų | 61.9 | 3% | 0.031 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -56.6 | -50.6 | 174.2 | 168.6 | -101.6 | 0 | 0 | 0 | 111.7 | L38 T39 V40 L44 I45 V46 F124 T127 V144 H147 A148 | L38-Y42 WeakPolarHBondContact O-CB 3.47Å; L38-Y42 PolarHBondContact O-N 2.99Å; T39-Y42 WeakPolarHBondContact O-CB 3.34Å; T39-Y42 PolarHBondContact O-N 3.29Å; V40-Y42 VanDerWaalsContact C-N 3.33Å; V40-Y42 PolarHBondContact O-N 2.75Å; Y42-L44 VanDerWaalsContact C-N 3.32Å; Y42-L44 PolarHBondContact O-N 2.8Å; Y42-I45 WeakPolarHBondContact O-CB 3.36Å; Y42-I45 PolarHBondContact O-N 2.99Å; Y42-I45 VanDerWaalsContact O-N 3.16Å; Y42-V46 HydrophobicContact CD1-CG2 4.48Å; Y42-V46 HydrophobicContact CD2-CG2 4.29Å; Y42-V46 HydrophobicContact CE1-CG2 4.05Å; Y42-V46 HydrophobicContact CE2-CG2 3.86Å; Y42-V46 WeakPolarHBondContact O-CG2 3.4Å; Y42-V46 PolarHBondContact O-N 3.41Å; Y42-F124 HydrophobicContact CD2-CB 3.88Å; Y42-F124 AromaticContact CD2-CD1 3.97Å; Y42-F124 HydrophobicContact CD2-CD1 3.97Å; Y42-F124 AromaticContact CD2-CD2 3.92Å; Y42-F124 HydrophobicContact CD2-CD2 3.92Å; Y42-F124 HydrophobicContact CD2-CE1 4.48Å; Y42-F124 HydrophobicContact CD2-CE2 4.41Å; Y42-F124 AromaticContact CD2-CG 3.66Å; Y42-F124 HydrophobicContact CD2-CG 3.66Å; Y42-F124 HydrophobicContact CE2-CB 4.26Å; Y42-F124 HydrophobicContact CE2-CD1 4.12Å; Y42-F124 HydrophobicContact CE2-CG 4.18Å; Y42-F124 HydrophobicContact CG-CD1 4.36Å; Y42-F124 HydrophobicContact CG-CD2 4.02Å; Y42-F124 HydrophobicContact CG-CE1 4.43Å; Y42-F124 HydrophobicContact CG-CE2 4.08Å; Y42-F124 HydrophobicContact CG-CG 4.15Å; Y42-F124 HydrophobicContact CG-CZ 4.28Å; Y42-T127 HydrophobicContact CE2-CG2 4.09Å; Y42-T127 VanDerWaalsContact CE2-OG1 3.29Å; Y42-T127 WeakPolarHBondContact CE2-OG1 3.43Å; Y42-T127 PolarHBondContact OH-OG1 2.95Å; Y42-V144 HydrophobicContact CE1-CG1 4.14Å; Y42-H147 HydrophobicContact CE1-CB 4.2Å; Y42-A148 HydrophobicContact CD1-CB 4.41Å; Y42-A148 HydrophobicContact CE1-CB 4.33Å |
| 43 | L | 94.4 | Very high | 92.2 | Very high | 78 Ų | 78 | 60.4 Ų | 60.4 | 41% | 0.408 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.5 | -38.7 | 179.1 | -67.7 | 175.1 | 0 | 0 | 0 | 112.3 | T39 V40 V46 W47 V144 A148 | T39-L43 HydrophobicContact CG2-CD1 4.48Å; T39-L43 WeakPolarHBondContact O-CG 3.12Å; T39-L43 PolarHBondContact O-N 2.96Å; V40-L43 PolarHBondContact O-N 3.27Å; L43-V46 PolarHBondContact O-N 3.22Å; L43-W47 WeakPolarHBondContact O-CB 3.24Å; L43-W47 PolarHBondContact O-N 3.44Å; L43-V144 HydrophobicContact CD2-CG1 3.74Å; L43-A148 HydrophobicContact CD2-CB 4.13Å |
| 44 | L | 94.9 | Very high | 92.3 | Very high | 89 Ų | 89 | 65.3 Ų | 65.3 | 47% | 0.466 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.5 | -43.4 | 173.9 | -72.1 | 173.9 | 0 | 0 | 0 | 111.6 | V40 M41 Y42 V46 W47 L48 | V40-L44 HydrophobicContact CG1-CD1 4.08Å; V40-L44 HydrophobicContact CG1-CG 4.4Å; V40-L44 VanDerWaalsContact O-CG 3.31Å; V40-L44 WeakPolarHBondContact O-CG 3.31Å; V40-L44 PolarHBondContact O-N 3.09Å; M41-L44 PolarHBondContact O-N 2.95Å; Y42-L44 VanDerWaalsContact C-N 3.32Å; Y42-L44 PolarHBondContact O-N 2.8Å; L44-V46 VanDerWaalsContact C-N 3.35Å; L44-W47 PolarHBondContact O-N 3.11Å; L44-L48 VanDerWaalsContact O-CB 3.27Å; L44-L48 WeakPolarHBondContact O-CB 3.33Å; L44-L48 WeakPolarHBondContact O-CG 3.42Å; L44-L48 PolarHBondContact O-N 3.15Å |
| 45 | I | 93.9 | Very high | 92.3 | Very high | 67 Ų | 67 | 70.9 Ų | 70.9 | 34% | 0.344 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.7 | -42.7 | 175.4 | -70 | 162.4 | 0 | 0 | 0 | 110.7 | M41 Y42 W47 G49 F128 I131 | M41-I45 HydrophobicContact CG-CD1 4.01Å; M41-I45 VanDerWaalsContact O-CG1 3.31Å; M41-I45 WeakPolarHBondContact O-CG1 3.46Å; M41-I45 PolarHBondContact O-N 3.24Å; Y42-I45 WeakPolarHBondContact O-CB 3.36Å; Y42-I45 PolarHBondContact O-N 2.99Å; Y42-I45 VanDerWaalsContact O-N 3.16Å; I45-W47 VanDerWaalsContact C-N 3.3Å; I45-W47 PolarHBondContact O-N 3.45Å; I45-G49 WeakPolarHBondContact O-CA 3.47Å; I45-G49 PolarHBondContact O-N 2.85Å; I45-F128 HydrophobicContact CG2-CD2 4.45Å; I45-I131 HydrophobicContact CG2-CD1 3.93Å |
| 46 | V | 93.4 | Very high | 92.3 | Very high | 21 Ų | 21 | 76.1 Ų | 76.1 | 13% | 0.127 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.6 | -36.2 | 177.5 | 173.1 | 0 | 0 | 0 | 0 | 112 | Y42 L43 L44 P50 T127 I139 V144 | Y42-V46 HydrophobicContact CD1-CG2 4.48Å; Y42-V46 HydrophobicContact CD2-CG2 4.29Å; Y42-V46 HydrophobicContact CE1-CG2 4.05Å; Y42-V46 HydrophobicContact CE2-CG2 3.86Å; Y42-V46 WeakPolarHBondContact O-CG2 3.4Å; Y42-V46 PolarHBondContact O-N 3.41Å; L43-V46 PolarHBondContact O-N 3.22Å; L44-V46 VanDerWaalsContact C-N 3.35Å; V46-P50 WeakPolarHBondContact O-CD 3.42Å; V46-P50 WeakPolarHBondContact O-CG 3.31Å; V46-T127 HydrophobicContact CG2-CG2 3.58Å; V46-I139 HydrophobicContact CG1-CG2 3.96Å; V46-V144 HydrophobicContact CG1-CG1 4.35Å; V46-V144 HydrophobicContact CG1-CG2 3.8Å |
| 47 | W | 91.3 | Very high | 92.3 | Very high | 157 Ų | 157 | 79 Ų | 79 | 60% | 0.595 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -80.6 | -42.5 | 179.9 | -175.7 | 76.4 | 0 | 0 | 0 | 113.5 | L43 L44 I45 | L43-W47 WeakPolarHBondContact O-CB 3.24Å; L43-W47 PolarHBondContact O-N 3.44Å; L44-W47 PolarHBondContact O-N 3.11Å; I45-W47 VanDerWaalsContact C-N 3.3Å; I45-W47 PolarHBondContact O-N 3.45Å |
| 48 | L | 93.3 | Very high | 92.1 | Very high | 87 Ų | 87 | 79.6 Ų | 79.6 | 46% | 0.455 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -82.6 | -35.5 | -178.9 | -69.6 | 171.8 | 0 | 0 | 0 | 112.7 | L44 K51 Y52 | L44-L48 VanDerWaalsContact O-CB 3.27Å; L44-L48 WeakPolarHBondContact O-CB 3.33Å; L44-L48 WeakPolarHBondContact O-CG 3.42Å; L44-L48 PolarHBondContact O-N 3.15Å; L48-K51 WeakPolarHBondContact O-CB 3.41Å; L48-K51 PolarHBondContact O-N 2.99Å; L48-K51 VanDerWaalsContact O-N 3.09Å; L48-Y52 WeakPolarHBondContact O-CB 3.39Å; L48-Y52 PolarHBondContact O-N 2.84Å |
| 49 | G | 91.1 | Very high | 91.8 | Very high | 10 Ų | 10 | 82.9 Ų | 82.9 | 10% | 0.103 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -56.1 | -51.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | I45 K51 Y52 M53 I131 | I45-G49 WeakPolarHBondContact O-CA 3.47Å; I45-G49 PolarHBondContact O-N 2.85Å; G49-K51 VanDerWaalsContact C-N 3.29Å; G49-K51 PolarHBondContact O-N 2.73Å; G49-Y52 PolarHBondContact O-N 2.73Å; G49-M53 WeakPolarHBondContact O-CB 3.23Å; G49-M53 WeakPolarHBondContact O-CG 3.44Å; G49-M53 PolarHBondContact O-N 3.3Å; G49-I131 VanDerWaalsContact C-CG2 3.46Å |
| 50 | P | 90.6 | Very high | 91 | Very high | 38 Ų | 38 | 86.4 Ų | 86.4 | 25% | 0.247 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -61.5 | -35 | 176 | -25.3 | 35.5 | 0 | 0 | 0 | 113.3 | V46 K54 I131 | V46-P50 WeakPolarHBondContact O-CD 3.42Å; V46-P50 WeakPolarHBondContact O-CG 3.31Å; P50-K54 PolarHBondContact O-N 2.9Å; P50-I131 HydrophobicContact CG-CG1 4.41Å |
| 51 | K | 91.6 | Very high | 90.4 | Very high | 113 Ų | 113 | 85.8 Ų | 85.8 | 49% | 0.491 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -67.3 | -43.9 | 176.6 | -62.6 | -177.7 | -177.2 | -179.6 | 0 | 111.1 | L48 G49 K54 | L48-K51 WeakPolarHBondContact O-CB 3.41Å; L48-K51 PolarHBondContact O-N 2.99Å; L48-K51 VanDerWaalsContact O-N 3.09Å; G49-K51 VanDerWaalsContact C-N 3.29Å; G49-K51 PolarHBondContact O-N 2.73Å; K51-K54 VanDerWaalsContact O-CB 3.26Å; K51-K54 WeakPolarHBondContact O-CB 3.5Å; K51-K54 PolarHBondContact O-N 3.46Å |
| 52 | Y | 91.6 | Very high | 89.9 | Confident | 141 Ų | 141 | 86.9 Ų | 86.9 | 55% | 0.553 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -64.1 | -42 | 176.7 | 177.2 | -104.5 | 0 | 0 | 0 | 112.2 | L48 G49 K54 R56 | L48-Y52 WeakPolarHBondContact O-CB 3.39Å; L48-Y52 PolarHBondContact O-N 2.84Å; G49-Y52 PolarHBondContact O-N 2.73Å; Y52-K54 VanDerWaalsContact C-N 3.26Å; Y52-K54 PolarHBondContact O-N 3.41Å; Y52-R56 PolarHBondContact OH-NE 3.39Å; Y52-R56 PolarHBondContact OH-NH1 3.21Å; Y52-R56 PolarHBondContact OH-NH2 2.87Å |
| 53 | M | 91.8 | Very high | 89.5 | Confident | 4 Ų | 4 | 89.3 Ų | 89.3 | 2% | 0.02 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -74.4 | -12.1 | 179.6 | -72.7 | -62.5 | -63.8 | 0 | 0 | 113.6 | G49 H55 R56 Y59 I131 L132 K134 | G49-M53 WeakPolarHBondContact O-CB 3.23Å; G49-M53 WeakPolarHBondContact O-CG 3.44Å; G49-M53 PolarHBondContact O-N 3.3Å; M53-H55 PolarHBondContact O-N 3.38Å; M53-H55 VanDerWaalsContact O-N 3.14Å; M53-R56 HydrophobicContact CE-CB 4.38Å; M53-R56 PolarHBondContact O-N 3.09Å; M53-R56 VanDerWaalsContact O-N 3.09Å; M53-R56 HydrophobicContact SD-CB 4.33Å; M53-Y59 HydrophobicContact CE-CD2 3.84Å; M53-Y59 HydrophobicContact CE-CE2 3.99Å; M53-Y59 HydrophobicContact SD-CD2 4.4Å; M53-Y59 HydrophobicContact SD-CE2 4.11Å; M53-I131 HydrophobicContact CG-CG2 3.92Å; M53-L132 VanDerWaalsContact CE-O 3.27Å; M53-L132 WeakPolarHBondContact CE-O 3.31Å; M53-L132 HydrophobicContact SD-CD2 4.29Å; M53-K134 HydrophobicContact CE-CG 4.38Å; M53-K134 WeakPolarHBondContact O-CE 3.38Å; M53-K134 PolarHBondContact O-NZ 3.3Å |
| 54 | K | 89.3 | Confident | 89.4 | Confident | 151 Ų | 151 | 90.3 Ų | 90.3 | 66% | 0.657 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.3 | -44.2 | -177.1 | -171 | 178.3 | -179.5 | -176.2 | 0 | 112.6 | P50 K51 Y52 K134 | P50-K54 PolarHBondContact O-N 2.9Å; K51-K54 VanDerWaalsContact O-CB 3.26Å; K51-K54 WeakPolarHBondContact O-CB 3.5Å; K51-K54 PolarHBondContact O-N 3.46Å; Y52-K54 VanDerWaalsContact C-N 3.26Å; Y52-K54 PolarHBondContact O-N 3.41Å; K54-K134 PolarHBondContact O-NZ 3Å |
| 55 | H | 90.2 | Very high | 89.1 | Confident | 167 Ų | 167 | 86.6 Ų | 86.6 | 77% | 0.773 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | 4.3 | -175.5 | -59.2 | -74.3 | 0 | 0 | 0 | 114.6 | M53 | M53-H55 PolarHBondContact O-N 3.38Å; M53-H55 VanDerWaalsContact O-N 3.14Å |
| 56 | R | 89.2 | Confident | 89 | Confident | 110 Ų | 110 | 85.7 Ų | 85.7 | 42% | 0.415 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -109 | 161.1 | -178.7 | -64.9 | -169.3 | 176.1 | -129.1 | -3.1 | 111.8 | Y52 M53 K134 | Y52-R56 PolarHBondContact OH-NE 3.39Å; Y52-R56 PolarHBondContact OH-NH1 3.21Å; Y52-R56 PolarHBondContact OH-NH2 2.87Å; M53-R56 HydrophobicContact CE-CB 4.38Å; M53-R56 PolarHBondContact O-N 3.09Å; M53-R56 VanDerWaalsContact O-N 3.09Å; M53-R56 HydrophobicContact SD-CB 4.33Å; R56-K134 WeakPolarHBondContact O-CE 3.35Å; R56-K134 PolarHBondContact O-NZ 2.86Å |
| 57 | Q | 88.1 | Confident | 89 | Confident | 159 Ų | 159 | 90.1 Ų | 90.1 | 74% | 0.743 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -78.5 | 149.9 | 171.9 | -67.3 | -64.1 | -9.8 | 0 | 0 | 111 | ||
| 58 | P | 89.8 | Confident | 89.1 | Confident | 68 Ų | 68 | 83.9 Ų | 83.9 | 44% | 0.442 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 136.9 | 177.6 | 28.5 | -33.2 | 0 | 0 | 0 | 110.9 | K134 | P58-K134 HydrophobicContact CB-CB 4.49Å; P58-K134 HydrophobicContact CB-CD 4.45Å; P58-K134 HydrophobicContact CB-CG 4.26Å |
| 59 | Y | 85.8 | Confident | 89.1 | Confident | 108 Ų | 108 | 80.4 Ų | 80.4 | 42% | 0.424 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -82.7 | 130.2 | 179.5 | -69.9 | -85.7 | 0 | 0 | 0 | 111.4 | M53 C61 L132 | M53-Y59 HydrophobicContact CE-CD2 3.84Å; M53-Y59 HydrophobicContact CE-CE2 3.99Å; M53-Y59 HydrophobicContact SD-CD2 4.4Å; M53-Y59 HydrophobicContact SD-CE2 4.11Å; Y59-C61 PolarHBondContact O-N 3Å; Y59-L132 HydrophobicContact CD2-CD2 4.02Å; Y59-L132 HydrophobicContact CE2-CD2 4.4Å; Y59-L132 PolarHBondContact N-O 3.49Å |
| 60 | S | 77.1 | Confident | 89.3 | Confident | 85 Ų | 85 | 84.6 Ų | 84.6 | 59% | 0.594 | 42% | 0.422 | S | S | * | . | trans | -94.6 | 67.7 | 177.1 | -178.2 | 0 | 0 | 0 | 0 | 111.9 | R62 | S60-R62 PolarHBondContact O-N 3.37Š| ||
| 61 | C | 82.3 | Confident | 89.5 | Confident | 45 Ų | 45 | 84.8 Ų | 84.8 | 30% | 0.304 | 43% | 0.431 | S | S | . | . | trans | -84.2 | 51.9 | 178.1 | -59.8 | 0 | 0 | 0 | 0 | 112.6 | Y59 L64 M65 | Y59-C61 PolarHBondContact O-N 3Å; C61-L64 HydrophobicContact CB-CB 4.23Å; C61-L64 PolarHBondContact O-N 3.48Å; C61-M65 WeakPolarHBondContact O-CG 3.37Å; C61-M65 PolarHBondContact O-N 3.32Å | ||
| 62 | R | 83.7 | Confident | 89.7 | Confident | 118 Ų | 118 | 79.7 Ų | 79.7 | 45% | 0.445 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63 | -47.2 | -171.9 | -67.4 | -178.4 | -170.2 | 175.5 | 0.3 | 113.6 | S60 L64 M65 V66 P190 | S60-R62 PolarHBondContact O-N 3.37Å; R62-L64 VanDerWaalsContact C-N 3.33Å; R62-L64 PolarHBondContact O-N 3.31Å; R62-M65 HydrophobicContact CB-CE 4.4Å; R62-M65 HydrophobicContact CG-CE 4.08Å; R62-M65 PolarHBondContact O-N 2.86Å; R62-V66 WeakPolarHBondContact O-CG2 3.2Å; R62-V66 PolarHBondContact O-N 2.91Å; R62-P190 VanDerWaalsContact NH1-CG 3.33Å |
| 63 | G | 87.1 | Confident | 89.9 | Confident | 59 Ų | 59 | 73.8 Ų | 73.8 | 61% | 0.608 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -60.3 | -43.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | M65 V66 L67 | G63-M65 PolarHBondContact O-N 3.46Å; G63-V66 PolarHBondContact O-N 2.94Å; G63-L67 PolarHBondContact O-N 2.86Å |
| 64 | L | 90.9 | Very high | 90.1 | Very high | 99 Ų | 99 | 77.1 Ų | 77.1 | 52% | 0.518 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.9 | -41.1 | 176.9 | -172.7 | 63.5 | 0 | 0 | 0 | 112.1 | C61 R62 L67 Y68 F129 | C61-L64 HydrophobicContact CB-CB 4.23Å; C61-L64 PolarHBondContact O-N 3.48Å; R62-L64 VanDerWaalsContact C-N 3.33Å; R62-L64 PolarHBondContact O-N 3.31Å; L64-L67 PolarHBondContact O-N 2.9Å; L64-Y68 WeakPolarHBondContact O-CB 3.29Å; L64-Y68 PolarHBondContact O-N 3.45Å; L64-F129 HydrophobicContact CD2-CE1 3.97Å; L64-F129 HydrophobicContact CD2-CZ 4.08Å; L64-F129 HydrophobicContact CG-CE1 4.19Å; L64-F129 HydrophobicContact CG-CZ 3.98Å |
| 65 | M | 89.3 | Confident | 90.4 | Very high | 11 Ų | 11 | 71.3 Ų | 71.3 | 5% | 0.054 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.9 | -40.5 | 175 | -74.8 | -175.8 | -66.7 | 0 | 0 | 112.3 | C61 R62 G63 Y68 N69 F129 R133 | C61-M65 WeakPolarHBondContact O-CG 3.37Å; C61-M65 PolarHBondContact O-N 3.32Å; R62-M65 HydrophobicContact CB-CE 4.4Å; R62-M65 HydrophobicContact CG-CE 4.08Å; R62-M65 PolarHBondContact O-N 2.86Å; G63-M65 PolarHBondContact O-N 3.46Å; M65-Y68 PolarHBondContact O-N 2.91Å; M65-N69 WeakPolarHBondContact O-CB 3.43Å; M65-N69 PolarHBondContact O-N 3.47Å; M65-N69 PolarHBondContact O-ND2 2.94Å; M65-F129 HydrophobicContact CG-CD1 3.71Å; M65-F129 HydrophobicContact CG-CD2 4.42Å; M65-F129 HydrophobicContact CG-CE1 3.89Å; M65-F129 HydrophobicContact CG-CG 4.02Å; M65-F129 HydrophobicContact CG-CZ 4.32Å; M65-F129 HydrophobicContact SD-CD1 4.45Å; M65-R133 WeakPolarHBondContact SD-CD 3.3Å; M65-R133 PolarHBondContact SD-NH1 3.28Å; M65-R133 VanDerWaalsContact SD-NH1 3.42Å |
| 66 | V | 90.8 | Very high | 90.6 | Very high | 48 Ų | 48 | 63.4 Ų | 63.4 | 29% | 0.291 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.8 | -48.3 | 177 | 172.8 | 0 | 0 | 0 | 0 | 110 | R62 G63 Y68 N69 L70 A188 I189 | R62-V66 WeakPolarHBondContact O-CG2 3.2Å; R62-V66 PolarHBondContact O-N 2.91Å; G63-V66 PolarHBondContact O-N 2.94Å; V66-Y68 VanDerWaalsContact C-N 3.34Å; V66-Y68 PolarHBondContact O-N 3.13Å; V66-N69 PolarHBondContact O-N 2.98Å; V66-L70 VanDerWaalsContact O-CB 3.29Å; V66-L70 WeakPolarHBondContact O-CB 3.4Å; V66-L70 PolarHBondContact O-N 2.92Å; V66-A188 HydrophobicContact CG2-CB 3.68Å; V66-I189 HydrophobicContact CG2-CG1 4.25Å |
| 67 | L | 93.6 | Very high | 91 | Very high | 115 Ų | 115 | 64.1 Ų | 64.1 | 60% | 0.602 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -60.2 | -44.8 | 178.3 | -178 | 63.7 | 0 | 0 | 0 | 111.8 | G63 L64 L70 G71 | G63-L67 PolarHBondContact O-N 2.86Å; L64-L67 PolarHBondContact O-N 2.9Å; L67-L70 PolarHBondContact O-N 3.49Å; L67-G71 PolarHBondContact O-N 3.33Å |
| 68 | Y | 94.2 | Very high | 91.4 | Very high | 26 Ų | 26 | 60.9 Ų | 60.9 | 10% | 0.102 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.9 | -51.9 | 177.1 | 166.7 | -92.9 | 0 | 0 | 0 | 111.9 | L64 M65 V66 L70 G71 V72 I122 I125 D126 F129 Y181 | L64-Y68 WeakPolarHBondContact O-CB 3.29Å; L64-Y68 PolarHBondContact O-N 3.45Å; M65-Y68 PolarHBondContact O-N 2.91Å; V66-Y68 VanDerWaalsContact C-N 3.34Å; V66-Y68 PolarHBondContact O-N 3.13Å; Y68-L70 VanDerWaalsContact C-N 3.27Å; Y68-L70 PolarHBondContact O-N 3.07Å; Y68-G71 PolarHBondContact O-N 3.26Å; Y68-G71 VanDerWaalsContact O-N 3.13Å; Y68-V72 HydrophobicContact CD2-CG2 4.2Å; Y68-V72 HydrophobicContact CE1-CG2 4.11Å; Y68-V72 HydrophobicContact CE2-CG2 3.75Å; Y68-V72 WeakPolarHBondContact O-CG2 3.46Å; Y68-V72 PolarHBondContact O-N 2.9Å; Y68-I122 HydrophobicContact CE2-CG2 3.9Å; Y68-I122 PolarHBondContact OH-O 3.28Å; Y68-I125 HydrophobicContact CD2-CB 4.49Å; Y68-I125 HydrophobicContact CD2-CG2 4.19Å; Y68-I125 HydrophobicContact CE2-CB 3.75Å; Y68-I125 HydrophobicContact CE2-CD1 4.18Å; Y68-I125 HydrophobicContact CE2-CG2 3.92Å; Y68-D126 WeakPolarHBondContact CE1-OD1 3.45Å; Y68-D126 VanDerWaalsContact OH-CG 3.23Å; Y68-D126 PolarHBondContact OH-OD1 2.85Å; Y68-F129 HydrophobicContact CD1-CD2 4.16Å; Y68-F129 AromaticContact CD1-CE2 3.69Å; Y68-F129 HydrophobicContact CD1-CE2 3.69Å; Y68-F129 HydrophobicContact CD2-CE2 4.03Å; Y68-F129 HydrophobicContact CE1-CD2 4.33Å; Y68-F129 HydrophobicContact CE1-CE2 4.19Å; Y68-F129 HydrophobicContact CE2-CE2 4.47Å; Y68-F129 HydrophobicContact CG-CD2 4.48Å; Y68-F129 AromaticContact CG-CE2 3.6Å; Y68-F129 HydrophobicContact CG-CE2 3.6Å; Y68-F129 HydrophobicContact CG-CZ 4.36Å; Y68-Y181 HydrophobicContact CE1-CE1 4.41Å |
| 69 | N | 93.7 | Very high | 91.6 | Very high | 13 Ų | 13 | 57.7 Ų | 57.7 | 7% | 0.07 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.2 | -37.2 | 179.9 | -75.2 | -62.9 | 0 | 0 | 0 | 111.4 | M65 V66 T73 Y181 Y184 | M65-N69 WeakPolarHBondContact O-CB 3.43Å; M65-N69 PolarHBondContact O-N 3.47Å; M65-N69 PolarHBondContact O-ND2 2.94Å; V66-N69 PolarHBondContact O-N 2.98Å; N69-T73 VanDerWaalsContact O-CB 3.3Å; N69-T73 WeakPolarHBondContact O-CB 3.29Å; N69-T73 PolarHBondContact O-N 3.43Å; N69-T73 PolarHBondContact O-OG1 3.49Å; N69-Y181 WeakPolarHBondContact OD1-CD1 3.34Å; N69-Y184 WeakPolarHBondContact OD1-CB 3.38Å |
| 70 | L | 94.3 | Very high | 92 | Very high | 98 Ų | 98 | 53.8 Ų | 53.8 | 51% | 0.513 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64 | -46.5 | 173.9 | -178.6 | 63.8 | 0 | 0 | 0 | 111.1 | V66 L67 Y68 V72 T73 C74 | V66-L70 VanDerWaalsContact O-CB 3.29Å; V66-L70 WeakPolarHBondContact O-CB 3.4Å; V66-L70 PolarHBondContact O-N 2.92Å; L67-L70 PolarHBondContact O-N 3.49Å; Y68-L70 VanDerWaalsContact C-N 3.27Å; Y68-L70 PolarHBondContact O-N 3.07Å; L70-V72 PolarHBondContact O-N 2.93Å; L70-T73 WeakPolarHBondContact O-CB 3.41Å; L70-T73 PolarHBondContact O-N 3.25Å; L70-C74 PolarHBondContact O-N 3Å; L70-C74 PolarHBondContact O-SG 2.83Å; L70-C74 VanDerWaalsContact O-SG 3.33Å |
| 71 | G | 95.1 | Very high | 92.8 | Very high | 42 Ų | 42 | 56 Ų | 56 | 43% | 0.433 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58.6 | -47.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L67 Y68 T73 C74 L75 | L67-G71 PolarHBondContact O-N 3.33Å; Y68-G71 PolarHBondContact O-N 3.26Å; Y68-G71 VanDerWaalsContact O-N 3.13Å; G71-T73 VanDerWaalsContact C-N 3.32Å; G71-T73 PolarHBondContact O-N 3.32Å; G71-C74 PolarHBondContact O-N 3.43Å; G71-L75 WeakPolarHBondContact O-CB 3.42Å; G71-L75 PolarHBondContact O-N 3.23Å |
| 72 | V | 95.4 | Very high | 93.3 | Very high | 6 Ų | 6 | 55.5 Ų | 55.5 | 4% | 0.036 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.8 | -36.2 | 176.9 | -177.8 | 0 | 0 | 0 | 0 | 111.4 | Y68 L70 L75 S76 I122 Y181 | Y68-V72 HydrophobicContact CD2-CG2 4.2Å; Y68-V72 HydrophobicContact CE1-CG2 4.11Å; Y68-V72 HydrophobicContact CE2-CG2 3.75Å; Y68-V72 WeakPolarHBondContact O-CG2 3.46Å; Y68-V72 PolarHBondContact O-N 2.9Å; L70-V72 PolarHBondContact O-N 2.93Å; V72-L75 PolarHBondContact O-N 3.44Å; V72-S76 VanDerWaalsContact O-CB 3.28Å; V72-S76 WeakPolarHBondContact O-CB 3.31Å; V72-S76 PolarHBondContact O-N 3.45Å; V72-S76 PolarHBondContact O-OG 3.12Å; V72-I122 HydrophobicContact CG2-CG2 4.01Å; V72-Y181 HydrophobicContact CB-CD1 4.14Å; V72-Y181 HydrophobicContact CB-CD2 4.3Å; V72-Y181 HydrophobicContact CB-CE1 4.41Å; V72-Y181 HydrophobicContact CB-CG 4.1Å; V72-Y181 HydrophobicContact CG1-CD1 3.95Å; V72-Y181 HydrophobicContact CG1-CD2 3.42Å; V72-Y181 VanDerWaalsContact CG1-CD2 3.42Å; V72-Y181 HydrophobicContact CG1-CE1 3.97Å; V72-Y181 HydrophobicContact CG1-CE2 3.43Å; V72-Y181 VanDerWaalsContact CG1-CE2 3.43Å; V72-Y181 HydrophobicContact CG1-CG 3.71Å |
| 73 | T | 95.7 | Very high | 93.6 | Very high | 17 Ų | 17 | 49.9 Ų | 49.9 | 10% | 0.104 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.3 | -48.3 | 174.1 | -59.6 | 0 | 0 | 0 | 0 | 111.2 | N69 L70 G71 L75 S76 F77 V178 Y181 S182 | N69-T73 VanDerWaalsContact O-CB 3.3Å; N69-T73 WeakPolarHBondContact O-CB 3.29Å; N69-T73 PolarHBondContact O-N 3.43Å; N69-T73 PolarHBondContact O-OG1 3.49Å; L70-T73 WeakPolarHBondContact O-CB 3.41Å; L70-T73 PolarHBondContact O-N 3.25Å; G71-T73 VanDerWaalsContact C-N 3.32Å; G71-T73 PolarHBondContact O-N 3.32Å; T73-L75 PolarHBondContact O-N 2.8Å; T73-S76 PolarHBondContact O-N 3.02Å; T73-F77 WeakPolarHBondContact O-CB 3.43Å; T73-F77 PolarHBondContact O-N 3.15Å; T73-V178 HydrophobicContact CG2-CG1 4.16Å; T73-Y181 WeakPolarHBondContact OG1-CB 3.47Å; T73-S182 VanDerWaalsContact CG2-OG 3.29Å; T73-S182 WeakPolarHBondContact CG2-OG 3.45Å; T73-S182 PolarHBondContact OG1-N 3.34Å |
| 74 | C | 96.4 | Very high | 93.8 | Very high | 74 Ų | 74 | 49.5 Ų | 49.5 | 50% | 0.5 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.8 | -42.7 | 178.1 | -68.2 | 0 | 0 | 0 | 0 | 111.8 | L70 G71 F77 Y78 | L70-C74 PolarHBondContact O-N 3Å; L70-C74 PolarHBondContact O-SG 2.83Å; L70-C74 VanDerWaalsContact O-SG 3.33Å; G71-C74 PolarHBondContact O-N 3.43Å; C74-F77 PolarHBondContact O-N 3.34Å; C74-Y78 WeakPolarHBondContact O-CB 3.26Å; C74-Y78 PolarHBondContact O-N 2.88Å |
| 75 | L | 95.6 | Very high | 93.7 | Very high | 30 Ų | 30 | 46 Ų | 46 | 16% | 0.157 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.6 | -45.2 | 175.3 | -178.4 | 62.5 | 0 | 0 | 0 | 111.1 | G71 V72 T73 F77 Y78 M79 W115 I122 | G71-L75 WeakPolarHBondContact O-CB 3.42Å; G71-L75 PolarHBondContact O-N 3.23Å; V72-L75 PolarHBondContact O-N 3.44Å; T73-L75 PolarHBondContact O-N 2.8Å; L75-F77 VanDerWaalsContact C-N 3.31Å; L75-F77 PolarHBondContact O-N 3.31Å; L75-Y78 HydrophobicContact CD1-CD1 4.49Å; L75-Y78 PolarHBondContact O-N 2.91Å; L75-M79 HydrophobicContact CG-CE 4.09Å; L75-M79 HydrophobicContact CG-SD 4.33Å; L75-M79 VanDerWaalsContact O-CG 3.29Å; L75-M79 WeakPolarHBondContact O-CG 3.42Å; L75-M79 PolarHBondContact O-N 3.35Å; L75-W115 HydrophobicContact CD1-CD2 4.46Å; L75-W115 HydrophobicContact CD1-CE3 3.97Å; L75-I122 HydrophobicContact CD2-CD1 3.92Å |
| 76 | S | 95.5 | Very high | 93.5 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.007 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.2 | -37.8 | 177.3 | -57.6 | 0 | 0 | 0 | 0 | 112.1 | V72 T73 C80 | V72-S76 VanDerWaalsContact O-CB 3.28Å; V72-S76 WeakPolarHBondContact O-CB 3.31Å; V72-S76 PolarHBondContact O-N 3.45Å; V72-S76 PolarHBondContact O-OG 3.12Å; T73-S76 PolarHBondContact O-N 3.02Å; S76-C80 VanDerWaalsContact O-CB 3.25Å; S76-C80 WeakPolarHBondContact O-CB 3.41Å; S76-C80 PolarHBondContact O-N 3.36Å |
| 77 | F | 95.9 | Very high | 93.2 | Very high | 125 Ų | 125 | 44 Ų | 44 | 55% | 0.548 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -67.1 | -46.6 | 176.4 | 179.3 | -99.5 | 0 | 0 | 0 | 111.3 | T73 C74 L75 M79 C80 Y81 V178 | T73-F77 WeakPolarHBondContact O-CB 3.43Å; T73-F77 PolarHBondContact O-N 3.15Å; C74-F77 PolarHBondContact O-N 3.34Å; L75-F77 VanDerWaalsContact C-N 3.31Å; L75-F77 PolarHBondContact O-N 3.31Å; F77-M79 PolarHBondContact O-N 2.95Å; F77-C80 PolarHBondContact O-N 3.21Å; F77-Y81 VanDerWaalsContact O-CB 3.3Å; F77-Y81 WeakPolarHBondContact O-CB 3.33Å; F77-Y81 PolarHBondContact O-N 2.64Å; F77-V178 HydrophobicContact CB-CG2 3.87Å; F77-V178 VanDerWaalsContact N-CG2 3.29Å |
| 78 | Y | 96.1 | Very high | 92.8 | Very high | 90 Ų | 90 | 47.3 Ų | 47.3 | 35% | 0.353 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -54.9 | -51.3 | 174 | 167.2 | -103.4 | 0 | 0 | 0 | 111.3 | C74 L75 C80 Y81 E82 W115 | C74-Y78 WeakPolarHBondContact O-CB 3.26Å; C74-Y78 PolarHBondContact O-N 2.88Å; L75-Y78 HydrophobicContact CD1-CD1 4.49Å; L75-Y78 PolarHBondContact O-N 2.91Å; Y78-C80 PolarHBondContact O-N 3.1Å; Y78-Y81 PolarHBondContact O-N 3.21Å; Y78-E82 HydrophobicContact CD2-CG 3.79Å; Y78-E82 HydrophobicContact CE1-CG 4.48Å; Y78-E82 HydrophobicContact CE2-CG 3.41Å; Y78-E82 VanDerWaalsContact CE2-CG 3.41Å; Y78-E82 HydrophobicContact CG-CG 4.47Å; Y78-E82 WeakPolarHBondContact O-CB 3.46Å; Y78-E82 WeakPolarHBondContact O-CG 3.35Å; Y78-E82 PolarHBondContact O-N 3.5Å; Y78-W115 HydrophobicContact CE1-CG 4.48Å |
| 79 | M | 95 | Very high | 92.3 | Very high | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.1 | -44.6 | 179.1 | -66.7 | -178.3 | -57.2 | 0 | 0 | 112.1 | L75 F77 L83 V112 W115 Y116 | L75-M79 HydrophobicContact CG-CE 4.09Å; L75-M79 HydrophobicContact CG-SD 4.33Å; L75-M79 VanDerWaalsContact O-CG 3.29Å; L75-M79 WeakPolarHBondContact O-CG 3.42Å; L75-M79 PolarHBondContact O-N 3.35Å; F77-M79 PolarHBondContact O-N 2.95Å; M79-L83 WeakPolarHBondContact O-CB 3.48Å; M79-L83 WeakPolarHBondContact O-CG 3.14Å; M79-L83 PolarHBondContact O-N 3.2Å; M79-V112 HydrophobicContact CB-CG1 4Å; M79-V112 HydrophobicContact CG-CG1 4.05Å; M79-W115 HydrophobicContact CG-CB 4.26Å; M79-W115 VanDerWaalsContact SD-C 3.56Å; M79-W115 HydrophobicContact SD-CB 4.12Å; M79-Y116 HydrophobicContact CE-CD2 4.34Å; M79-Y116 WeakPolarHBondContact SD-CA 3.48Å; M79-Y116 HydrophobicContact SD-CD2 4.26Å; M79-Y116 PolarHBondContact SD-N 3.05Å; M79-Y116 VanDerWaalsContact SD-N 3.39Å |
| 80 | C | 94.3 | Very high | 91.3 | Very high | 25 Ų | 25 | 56.4 Ų | 56.4 | 17% | 0.169 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.9 | -46.5 | 178 | -175.2 | 0 | 0 | 0 | 0 | 111.9 | S76 F77 Y78 A84 | S76-C80 VanDerWaalsContact O-CB 3.25Å; S76-C80 WeakPolarHBondContact O-CB 3.41Å; S76-C80 PolarHBondContact O-N 3.36Å; F77-C80 PolarHBondContact O-N 3.21Å; Y78-C80 PolarHBondContact O-N 3.1Å; C80-A84 WeakPolarHBondContact O-CB 3.38Å; C80-A84 PolarHBondContact O-N 3.42Å |
| 81 | Y | 93.6 | Very high | 90.3 | Very high | 133 Ų | 133 | 54.6 Ų | 54.6 | 52% | 0.522 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.3 | -48.5 | -179.3 | 175.6 | -99.1 | 0 | 0 | 0 | 111.2 | F77 Y78 A84 T85 | F77-Y81 VanDerWaalsContact O-CB 3.3Å; F77-Y81 WeakPolarHBondContact O-CB 3.33Å; F77-Y81 PolarHBondContact O-N 2.64Å; Y78-Y81 PolarHBondContact O-N 3.21Å; Y81-A84 PolarHBondContact O-N 3.18Å; Y81-T85 HydrophobicContact CD1-CG2 4.46Å; Y81-T85 HydrophobicContact CD2-CG2 4.03Å; Y81-T85 HydrophobicContact CE1-CG2 4.13Å; Y81-T85 HydrophobicContact CE2-CG2 3.67Å; Y81-T85 HydrophobicContact CG-CG2 4.41Å; Y81-T85 WeakPolarHBondContact O-CB 3.49Å; Y81-T85 VanDerWaalsContact O-CG2 3.3Å; Y81-T85 WeakPolarHBondContact O-CG2 3.36Å; Y81-T85 PolarHBondContact O-N 3.39Å; Y81-T85 PolarHBondContact O-OG1 2.91Å |
| 82 | E | 92.9 | Very high | 89.3 | Confident | 34 Ų | 34 | 53 Ų | 53 | 16% | 0.159 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.1 | -42.5 | -178.3 | -71.4 | -68.1 | 173.4 | 0 | 0 | 112.3 | Y78 T85 T86 K108 V112 | Y78-E82 HydrophobicContact CD2-CG 3.79Å; Y78-E82 HydrophobicContact CE1-CG 4.48Å; Y78-E82 HydrophobicContact CE2-CG 3.41Å; Y78-E82 VanDerWaalsContact CE2-CG 3.41Å; Y78-E82 HydrophobicContact CG-CG 4.47Å; Y78-E82 WeakPolarHBondContact O-CB 3.46Å; Y78-E82 WeakPolarHBondContact O-CG 3.35Å; Y78-E82 PolarHBondContact O-N 3.5Å; E82-T85 PolarHBondContact O-OG1 3.46Å; E82-T86 WeakPolarHBondContact O-CB 3.29Å; E82-T86 PolarHBondContact O-N 2.89Å; E82-T86 PolarHBondContact O-OG1 3.16Å; E82-K108 WeakPolarHBondContact OE2-CE 3.45Å; E82-K108 IonicContact OE2-NZ 3.68Å; E82-K108 PolarHBondContact OE2-NZ 3.22Å; E82-V112 HydrophobicContact CB-CG1 4.24Å; E82-V112 HydrophobicContact CB-CG2 3.75Å; E82-V112 HydrophobicContact CG-CG2 4.41Å |
| 83 | L | 90.8 | Very high | 88 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.8 | -42.6 | 176.6 | -69.8 | 169.9 | 0 | 0 | 0 | 111.5 | M79 A87 I109 V112 L113 A170 S171 | M79-L83 WeakPolarHBondContact O-CB 3.48Å; M79-L83 WeakPolarHBondContact O-CG 3.14Å; M79-L83 PolarHBondContact O-N 3.2Å; L83-A87 WeakPolarHBondContact O-CB 3.43Å; L83-A87 PolarHBondContact O-N 3.45Å; L83-I109 HydrophobicContact CD2-CB 4.5Å; L83-I109 HydrophobicContact CD2-CG1 4.32Å; L83-I109 HydrophobicContact CD2-CG2 4.05Å; L83-V112 HydrophobicContact CD1-CG1 4.29Å; L83-V112 HydrophobicContact CD2-CB 4.05Å; L83-V112 HydrophobicContact CD2-CG1 4.01Å; L83-V112 HydrophobicContact CG-CB 4.31Å; L83-V112 HydrophobicContact CG-CG1 3.73Å; L83-L113 HydrophobicContact CD1-CD2 4.34Å; L83-L113 HydrophobicContact CD2-CD2 4.14Å; L83-L113 HydrophobicContact CD2-CG 4.26Å; L83-A170 HydrophobicContact CD1-CB 3.95Å; L83-S171 WeakPolarHBondContact CB-OG 3.33Å |
| 84 | A | 89.8 | Confident | 86.4 | Confident | 51 Ų | 51 | 61.3 Ų | 61.3 | 42% | 0.421 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -67.4 | -46.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | C80 Y81 W88 | C80-A84 WeakPolarHBondContact O-CB 3.38Å; C80-A84 PolarHBondContact O-N 3.42Å; Y81-A84 PolarHBondContact O-N 3.18Å; A84-W88 WeakPolarHBondContact O-CB 3.5Å; A84-W88 PolarHBondContact O-N 3.3Å |
| 85 | T | 88.7 | Confident | 84.8 | Confident | 25 Ų | 25 | 65.4 Ų | 65.4 | 15% | 0.153 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.4 | -43.5 | 179.1 | 52.9 | 0 | 0 | 0 | 0 | 111.6 | Y81 E82 A87 W88 Y89 | Y81-T85 HydrophobicContact CD1-CG2 4.46Å; Y81-T85 HydrophobicContact CD2-CG2 4.03Å; Y81-T85 HydrophobicContact CE1-CG2 4.13Å; Y81-T85 HydrophobicContact CE2-CG2 3.67Å; Y81-T85 HydrophobicContact CG-CG2 4.41Å; Y81-T85 WeakPolarHBondContact O-CB 3.49Å; Y81-T85 VanDerWaalsContact O-CG2 3.3Å; Y81-T85 WeakPolarHBondContact O-CG2 3.36Å; Y81-T85 PolarHBondContact O-N 3.39Å; Y81-T85 PolarHBondContact O-OG1 2.91Å; E82-T85 PolarHBondContact O-OG1 3.46Å; T85-A87 VanDerWaalsContact C-N 3.34Å; T85-A87 PolarHBondContact O-N 3.09Å; T85-W88 PolarHBondContact O-N 3.38Å; T85-Y89 WeakPolarHBondContact O-CB 3.26Å; T85-Y89 WeakPolarHBondContact O-CD2 3.48Å; T85-Y89 PolarHBondContact O-N 2.92Å |
| 86 | T | 86.6 | Confident | 83.2 | Confident | 10 Ų | 10 | 64.6 Ų | 64.6 | 6% | 0.061 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.2 | -39.1 | 179.3 | -54.7 | 0 | 0 | 0 | 0 | 111.5 | E82 G90 A105 K108 I109 | E82-T86 WeakPolarHBondContact O-CB 3.29Å; E82-T86 PolarHBondContact O-N 2.89Å; E82-T86 PolarHBondContact O-OG1 3.16Å; T86-G90 VanDerWaalsContact O-CA 3.29Å; T86-G90 WeakPolarHBondContact O-CA 3.49Å; T86-G90 PolarHBondContact O-N 3.47Å; T86-A105 HydrophobicContact CG2-CB 3.94Å; T86-A105 WeakPolarHBondContact CG2-O 3.21Å; T86-K108 HydrophobicContact CG2-CB 3.98Å; T86-K108 HydrophobicContact CG2-CD 4.02Å; T86-K108 HydrophobicContact CG2-CG 4.11Å; T86-K108 VanDerWaalsContact OG1-CD 3.31Å; T86-K108 WeakPolarHBondContact OG1-CD 3.23Å; T86-K108 WeakPolarHBondContact OG1-CE 3.42Å; T86-K108 PolarHBondContact OG1-NZ 3.23Å; T86-I109 HydrophobicContact CG2-CD1 4.19Å; T86-I109 HydrophobicContact CG2-CG1 3.72Å |
| 87 | A | 84.8 | Confident | 81.8 | Confident | 6 Ų | 6 | 65.2 Ų | 65.2 | 5% | 0.05 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.5 | -42.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L83 T85 G91 Y92 Y167 | L83-A87 WeakPolarHBondContact O-CB 3.43Å; L83-A87 PolarHBondContact O-N 3.45Å; T85-A87 VanDerWaalsContact C-N 3.34Å; T85-A87 PolarHBondContact O-N 3.09Å; A87-G91 PolarHBondContact O-N 3.23Å; A87-Y92 HydrophobicContact CB-CD1 4.27Å; A87-Y92 HydrophobicContact CB-CG 4.17Å; A87-Y92 WeakPolarHBondContact O-CB 3.2Å; A87-Y92 PolarHBondContact O-N 3.39Å; A87-Y167 HydrophobicContact CB-CD2 4.03Å; A87-Y167 HydrophobicContact CB-CE2 3.55Å |
| 88 | W | 84.4 | Confident | 80.3 | Confident | 186 Ų | 186 | 61.4 Ų | 61.4 | 71% | 0.705 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -66.9 | -52.1 | -178.9 | -170.4 | -91 | 0 | 0 | 0 | 112.7 | A84 T85 G90 G91 F94 | A84-W88 WeakPolarHBondContact O-CB 3.5Å; A84-W88 PolarHBondContact O-N 3.3Å; T85-W88 PolarHBondContact O-N 3.38Å; W88-G90 VanDerWaalsContact C-N 3.34Å; W88-G91 PolarHBondContact O-N 2.96Å; W88-F94 HydrophobicContact CE3-CE2 4.38Å; W88-F94 HydrophobicContact CE3-CZ 4.08Å; W88-F94 HydrophobicContact CZ3-CE2 4.19Å; W88-F94 HydrophobicContact CZ3-CZ 4.05Å |
| 89 | Y | 82.9 | Confident | 78.6 | Confident | 200 Ų | 200 | 58.5 Ų | 58.5 | 78% | 0.784 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -72.7 | -28 | 178.8 | -69.8 | -66.1 | 0 | 0 | 0 | 112.7 | T85 G91 | T85-Y89 WeakPolarHBondContact O-CB 3.26Å; T85-Y89 WeakPolarHBondContact O-CD2 3.48Å; T85-Y89 PolarHBondContact O-N 2.92Å; Y89-G91 PolarHBondContact O-N 3.17Å |
| 90 | G | 72.9 | Confident | 77 | Confident | 29 Ų | 29 | 63.9 Ų | 63.9 | 30% | 0.299 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 0.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | T86 W88 Y92 | T86-G90 VanDerWaalsContact O-CA 3.29Å; T86-G90 WeakPolarHBondContact O-CA 3.49Å; T86-G90 PolarHBondContact O-N 3.47Å; W88-G90 VanDerWaalsContact C-N 3.34Å; G90-Y92 VanDerWaalsContact C-N 3.28Å; G90-Y92 PolarHBondContact O-N 2.69Å |
| 91 | G | 74.3 | Confident | 75.4 | Confident | 60 Ų | 60 | 66 Ų | 66 | 62% | 0.619 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | 30.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | A87 W88 Y89 N93 | A87-G91 PolarHBondContact O-N 3.23Å; W88-G91 PolarHBondContact O-N 2.96Å; Y89-G91 PolarHBondContact O-N 3.17Å; G91-N93 PolarHBondContact O-N 3.25Å |
| 92 | Y | 73.6 | Confident | 74.2 | Confident | 10 Ų | 10 | 60.5 Ų | 60.5 | 4% | 0.039 | 32% | 0.318 | C | S | . | . | trans | -61.6 | 132.8 | -179.2 | -92.2 | -138.2 | 0 | 0 | 0 | 110.9 | A87 G90 F94 Q97 A102 A105 D106 I109 Y167 | A87-Y92 HydrophobicContact CB-CD1 4.27Å; A87-Y92 HydrophobicContact CB-CG 4.17Å; A87-Y92 WeakPolarHBondContact O-CB 3.2Å; A87-Y92 PolarHBondContact O-N 3.39Å; G90-Y92 VanDerWaalsContact C-N 3.28Å; G90-Y92 PolarHBondContact O-N 2.69Å; Y92-F94 PolarHBondContact O-N 3.21Å; Y92-Q97 HydrophobicContact CD1-CB 4.22Å; Y92-Q97 HydrophobicContact CD1-CG 3.56Å; Y92-Q97 HydrophobicContact CD2-CG 4.36Å; Y92-Q97 HydrophobicContact CE1-CG 3.6Å; Y92-Q97 HydrophobicContact CE2-CG 4.38Å; Y92-Q97 HydrophobicContact CG-CG 3.92Å; Y92-A102 HydrophobicContact CE2-CB 3.96Å; Y92-A105 HydrophobicContact CE2-CB 3.93Å; Y92-D106 PolarHBondContact OH-OD1 3.11Å; Y92-I109 HydrophobicContact CD1-CD1 4.07Å; Y92-I109 HydrophobicContact CE1-CD1 3.33Å; Y92-I109 HydrophobicContact CE2-CD1 4.03Å; Y92-I109 WeakPolarHBondContact OH-CD1 3.33Å; Y92-Y167 AromaticContact CD1-CD1 3.79Å; Y92-Y167 HydrophobicContact CD1-CD1 3.79Å; Y92-Y167 AromaticContact CD1-CE1 3.69Å; Y92-Y167 HydrophobicContact CD1-CE1 3.69Å; Y92-Y167 HydrophobicContact CD1-CG 4.33Å; Y92-Y167 HydrophobicContact CE1-CD1 4.03Å; Y92-Y167 HydrophobicContact CE1-CE1 4.38Å; Y92-Y167 HydrophobicContact CE1-CG 4.44Å | ||
| 93 | N | 67.4 | Low | 73.2 | Confident | 84 Ų | 84 | 63 Ų | 63 | 45% | 0.449 | 34% | 0.337 | S | S | . | . | trans | -77.2 | 118.7 | 175.8 | -167.6 | -25.1 | 0 | 0 | 0 | 109.9 | G91 Y95 C96 | G91-N93 PolarHBondContact O-N 3.25Å; N93-Y95 PolarHBondContact O-N 3.36Å; N93-Y95 PolarHBondContact OD1-N 3.4Å; N93-Y95 VanDerWaalsContact OD1-N 3.08Å; N93-C96 WeakPolarHBondContact CB-O 3.15Å | ||
| 94 | F | 63.3 | Low | 72.6 | Confident | 113 Ų | 113 | 69.4 Ų | 69.4 | 50% | 0.496 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -60.2 | -30 | 179.7 | -76.8 | -81.5 | 0 | 0 | 0 | 113.6 | W88 Y92 | W88-F94 HydrophobicContact CE3-CE2 4.38Å; W88-F94 HydrophobicContact CE3-CZ 4.08Å; W88-F94 HydrophobicContact CZ3-CE2 4.19Å; W88-F94 HydrophobicContact CZ3-CZ 4.05Å; Y92-F94 PolarHBondContact O-N 3.21Å |
| 95 | Y | 61.3 | Low | 72.1 | Confident | 160 Ų | 160 | 67.6 Ų | 67.6 | 63% | 0.627 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -79.2 | -45.6 | -176.4 | -67 | -78.8 | 0 | 0 | 0 | 112.3 | N93 L219 | N93-Y95 PolarHBondContact O-N 3.36Å; N93-Y95 PolarHBondContact OD1-N 3.4Å; N93-Y95 VanDerWaalsContact OD1-N 3.08Å; Y95-L219 HydrophobicContact CD1-CD1 4.45Å |
| 96 | C | 62.4 | Low | 71.8 | Confident | 12 Ų | 12 | 66.4 Ų | 66.4 | 8% | 0.081 | 35% | 0.345 | C | S | . | . | trans | -162.8 | 120.3 | 179 | -160.3 | 0 | 0 | 0 | 0 | 109.6 | N93 W223 C225 | N93-C96 WeakPolarHBondContact CB-O 3.15Å; C96-W223 PolarHBondContact SG-O 3.05Å; C96-C225 HydrophobicContact CB-CB 3.48Å; C96-C225 VanDerWaalsContact CB-CB 3.48Å; C96-C225 WeakPolarHBondContact CB-SG 3.19Å; C96-C225 WeakPolarHBondContact SG-CB 3.28Å; C96-C225 PolarHBondContact SG-N 3.35Å; C96-C225 CovalentContact SG-SG 2.01Å; C96-C225 PolarHBondContact SG-SG 3.33Å | ||
| 97 | Q | 66 | Low | 71.7 | Confident | 14 Ų | 14 | 71.2 Ų | 71.2 | 7% | 0.065 | 37% | 0.365 | C | S | . | . | trans | -115.9 | 127 | 178.9 | -176.3 | 73.2 | 2.8 | 0 | 0 | 110.3 | Y92 G164 H165 | Y92-Q97 HydrophobicContact CD1-CB 4.22Å; Y92-Q97 HydrophobicContact CD1-CG 3.56Å; Y92-Q97 HydrophobicContact CD2-CG 4.36Å; Y92-Q97 HydrophobicContact CE1-CG 3.6Å; Y92-Q97 HydrophobicContact CE2-CG 4.38Å; Y92-Q97 HydrophobicContact CG-CG 3.92Å; Q97-G164 WeakPolarHBondContact O-CA 3.22Å; Q97-H165 PolarHBondContact O-N 2.98Å | ||
| 98 | N | 65.1 | Low | 71.8 | Confident | 46 Ų | 46 | 75.3 Ų | 75.3 | 25% | 0.246 | 38% | 0.381 | C | S | . | . | trans | -77.2 | 163.8 | 173 | -74.1 | -28.4 | 0 | 0 | 0 | 112.5 | D100 S101 C225 G226 F227 | N98-D100 VanDerWaalsContact C-N 3.3Å; N98-D100 PolarHBondContact O-N 2.91Å; N98-S101 WeakPolarHBondContact CB-OG 3.45Å; N98-C225 PolarHBondContact ND2-O 3.03Å; N98-C225 PolarHBondContact OD1-O 3.16Å; N98-C225 PolarHBondContact OD1-SG 3.48Å; N98-C225 VanDerWaalsContact OD1-SG 3.34Å; N98-G226 VanDerWaalsContact OD1-CA 3.28Å; N98-G226 WeakPolarHBondContact OD1-CA 3.46Å; N98-G226 PolarHBondContact OD1-N 3.3Å; N98-F227 PolarHBondContact OD1-N 2.96Å | ||
| 99 | T | 60.7 | Low | 72 | Confident | 29 Ų | 29 | 66.4 Ų | 66.4 | 18% | 0.178 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -9.2 | -175.6 | 46.5 | 0 | 0 | 0 | 0 | 115.2 | R22 C163 F227 | R22-T99 PolarHBondContact NH1-O 3.47Å; R22-T99 VanDerWaalsContact NH1-O 3.08Å; R22-T99 PolarHBondContact NH2-O 3.43Å; R22-T99 VanDerWaalsContact NH2-O 3.16Å; T99-C163 WeakPolarHBondContact CA-SG 3.34Å; T99-C163 VanDerWaalsContact CB-SG 3.54Å; T99-C163 PolarHBondContact O-SG 2.76Å; T99-F227 HydrophobicContact CG2-CD2 4.22Å; T99-F227 HydrophobicContact CG2-CE2 4.24Å |
| 100 | D | 62.1 | Low | 72.3 | Confident | 114 Ų | 114 | 57.1 Ų | 57.1 | 61% | 0.61 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.1 | 13.3 | -173.1 | -56.2 | -48.3 | 0 | 0 | 0 | 113.3 | R22 N98 | R22-D100 IonicContact NH1-OD1 2.64Å; R22-D100 IonicContact NH2-OD1 3.49Å; N98-D100 VanDerWaalsContact C-N 3.3Å; N98-D100 PolarHBondContact O-N 2.91Å |
| 101 | S | 60.3 | Low | 73.1 | Confident | 70 Ų | 70 | 58.3 Ų | 58.3 | 49% | 0.49 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -78.8 | -19.4 | -173.3 | -72.5 | 0 | 0 | 0 | 0 | 114.3 | N98 | N98-S101 WeakPolarHBondContact CB-OG 3.45Š|
| 102 | A | 66.9 | Low | 74 | Confident | 17 Ų | 17 | 55.5 Ų | 55.5 | 14% | 0.14 | 29% | 0.286 | C | S | . | . | trans | -148.5 | 79.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y92 E104 A105 D106 | Y92-A102 HydrophobicContact CE2-CB 3.96Å; A102-E104 VanDerWaalsContact C-N 3.31Å; A102-E104 PolarHBondContact O-N 3.26Å; A102-A105 HydrophobicContact CB-CB 3.92Å; A102-A105 PolarHBondContact O-N 2.92Å; A102-D106 VanDerWaalsContact C-CG 3.44Å; A102-D106 VanDerWaalsContact C-OD2 3.26Å; A102-D106 PolarHBondContact N-OD2 2.89Å; A102-D106 WeakPolarHBondContact O-CB 3.35Å; A102-D106 PolarHBondContact O-N 2.93Å; A102-D106 VanDerWaalsContact O-OD1 3.09Å | ||
| 103 | P | 72.4 | Confident | 74.8 | Confident | 86 Ų | 86 | 55 Ų | 55 | 56% | 0.558 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -53.6 | -38.3 | -164.6 | -27.4 | 33.1 | 0 | 0 | 0 | 115.8 | K107 | P103-K107 WeakPolarHBondContact O-CG 3.24Å; P103-K107 PolarHBondContact O-N 3.47Å |
| 104 | E | 78.1 | Confident | 76.1 | Confident | 135 Ų | 135 | 52.5 Ų | 52.5 | 63% | 0.631 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -79.6 | -36.8 | 179.7 | -65 | -53 | 129.4 | 0 | 0 | 112.9 | A102 K107 K108 | A102-E104 VanDerWaalsContact C-N 3.31Å; A102-E104 PolarHBondContact O-N 3.26Å; E104-K107 IonicContact OE1-NZ 2.76Å; E104-K107 PolarHBondContact OE1-NZ 2.87Å; E104-K107 IonicContact OE2-NZ 2.98Å; E104-K108 PolarHBondContact O-N 3.48Å |
| 105 | A | 80.2 | Confident | 77.5 | Confident | 13 Ų | 13 | 51.4 Ų | 51.4 | 11% | 0.107 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.8 | -38.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111 | T86 Y92 A102 K108 I109 | T86-A105 HydrophobicContact CG2-CB 3.94Å; T86-A105 WeakPolarHBondContact CG2-O 3.21Å; Y92-A105 HydrophobicContact CE2-CB 3.93Å; A102-A105 HydrophobicContact CB-CB 3.92Å; A102-A105 PolarHBondContact O-N 2.92Å; A105-K108 PolarHBondContact O-N 3.43Å; A105-I109 WeakPolarHBondContact O-CG1 3.35Å; A105-I109 PolarHBondContact O-N 3.44Å |
| 106 | D | 82.9 | Confident | 79.1 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.3 | -48 | 179.9 | -60.7 | -15.4 | 0 | 0 | 0 | 110.7 | R22 Y92 A102 K108 I109 I110 C163 | R22-D106 IonicContact NH1-OD2 2.77Å; Y92-D106 PolarHBondContact OH-OD1 3.11Å; A102-D106 VanDerWaalsContact C-CG 3.44Å; A102-D106 VanDerWaalsContact C-OD2 3.26Å; A102-D106 PolarHBondContact N-OD2 2.89Å; A102-D106 WeakPolarHBondContact O-CB 3.35Å; A102-D106 PolarHBondContact O-N 2.93Å; A102-D106 VanDerWaalsContact O-OD1 3.09Å; D106-K108 VanDerWaalsContact C-N 3.27Å; D106-K108 PolarHBondContact O-N 3.04Å; D106-I109 PolarHBondContact O-N 3Å; D106-I110 WeakPolarHBondContact O-CB 3.48Å; D106-I110 WeakPolarHBondContact O-CD1 3.18Å; D106-I110 WeakPolarHBondContact O-CG1 3.5Å; D106-I110 PolarHBondContact O-N 3.32Å; D106-C163 HydrophobicContact CB-CB 4.47Å |
| 107 | K | 84.2 | Confident | 80.5 | Confident | 111 Ų | 111 | 43.4 Ų | 43.4 | 48% | 0.483 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -55.8 | -43.4 | 176 | -73.3 | 170.2 | -170.5 | 165.5 | 0 | 112.2 | P103 E104 I110 S111 | P103-K107 WeakPolarHBondContact O-CG 3.24Å; P103-K107 PolarHBondContact O-N 3.47Å; E104-K107 IonicContact OE1-NZ 2.76Å; E104-K107 PolarHBondContact OE1-NZ 2.87Å; E104-K107 IonicContact OE2-NZ 2.98Å; K107-I110 PolarHBondContact O-N 3.42Å; K107-S111 PolarHBondContact O-N 3.27Å; K107-S111 VanDerWaalsContact O-N 3.1Å |
| 108 | K | 86.1 | Confident | 81.8 | Confident | 92 Ų | 92 | 45.1 Ų | 45.1 | 40% | 0.4 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -68.2 | -43.9 | -179.9 | -173.6 | 171.8 | -179.9 | -160.4 | 0 | 111.1 | E82 T86 E104 A105 D106 I110 S111 V112 | E82-K108 WeakPolarHBondContact OE2-CE 3.45Å; E82-K108 IonicContact OE2-NZ 3.68Å; E82-K108 PolarHBondContact OE2-NZ 3.22Å; T86-K108 HydrophobicContact CG2-CB 3.98Å; T86-K108 HydrophobicContact CG2-CD 4.02Å; T86-K108 HydrophobicContact CG2-CG 4.11Å; T86-K108 VanDerWaalsContact OG1-CD 3.31Å; T86-K108 WeakPolarHBondContact OG1-CD 3.23Å; T86-K108 WeakPolarHBondContact OG1-CE 3.42Å; T86-K108 PolarHBondContact OG1-NZ 3.23Å; E104-K108 PolarHBondContact O-N 3.48Å; A105-K108 PolarHBondContact O-N 3.43Å; D106-K108 VanDerWaalsContact C-N 3.27Å; D106-K108 PolarHBondContact O-N 3.04Å; K108-I110 PolarHBondContact O-N 2.8Å; K108-S111 WeakPolarHBondContact O-CB 3.48Å; K108-S111 PolarHBondContact O-N 3.47Å; K108-V112 WeakPolarHBondContact O-CG2 3.3Å; K108-V112 PolarHBondContact O-N 3.27Å |
| 109 | I | 88.1 | Confident | 83.2 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.3 | -43.6 | 174.8 | -71.8 | -179.3 | 0 | 0 | 0 | 111.4 | L83 T86 Y92 A105 D106 S111 V112 L113 | L83-I109 HydrophobicContact CD2-CB 4.5Å; L83-I109 HydrophobicContact CD2-CG1 4.32Å; L83-I109 HydrophobicContact CD2-CG2 4.05Å; T86-I109 HydrophobicContact CG2-CD1 4.19Å; T86-I109 HydrophobicContact CG2-CG1 3.72Å; Y92-I109 HydrophobicContact CD1-CD1 4.07Å; Y92-I109 HydrophobicContact CE1-CD1 3.33Å; Y92-I109 HydrophobicContact CE2-CD1 4.03Å; Y92-I109 WeakPolarHBondContact OH-CD1 3.33Å; A105-I109 WeakPolarHBondContact O-CG1 3.35Å; A105-I109 PolarHBondContact O-N 3.44Å; D106-I109 PolarHBondContact O-N 3Å; I109-S111 VanDerWaalsContact C-N 3.3Å; I109-S111 PolarHBondContact O-N 2.94Å; I109-V112 PolarHBondContact O-N 3.44Å; I109-V112 VanDerWaalsContact O-N 3.15Å; I109-L113 HydrophobicContact CG2-CD1 3.66Å; I109-L113 HydrophobicContact CG2-CG 3.97Å; I109-L113 WeakPolarHBondContact O-CB 3.46Å; I109-L113 VanDerWaalsContact O-CG 3.31Å; I109-L113 WeakPolarHBondContact O-CG 3.37Å; I109-L113 PolarHBondContact O-N 3.42Å |
| 110 | I | 89.4 | Confident | 84.7 | Confident | 5 Ų | 5 | 41.7 Ų | 41.7 | 3% | 0.026 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.6 | -45.9 | 176.4 | -67.8 | 162.2 | 0 | 0 | 0 | 110.6 | R22 V23 M26 D106 K107 K108 V112 L113 W114 M158 P162 C163 | R22-I110 HydrophobicContact CB-CD1 3.9Å; R22-I110 HydrophobicContact CG-CD1 4.39Å; V23-I110 HydrophobicContact CG1-CG2 3.59Å; M26-I110 HydrophobicContact SD-CG2 4.37Å; D106-I110 WeakPolarHBondContact O-CB 3.48Å; D106-I110 WeakPolarHBondContact O-CD1 3.18Å; D106-I110 WeakPolarHBondContact O-CG1 3.5Å; D106-I110 PolarHBondContact O-N 3.32Å; K107-I110 PolarHBondContact O-N 3.42Å; K108-I110 PolarHBondContact O-N 2.8Å; I110-V112 PolarHBondContact O-N 2.9Å; I110-L113 PolarHBondContact O-N 2.88Å; I110-W114 PolarHBondContact O-N 3.37Å; I110-M158 HydrophobicContact CG2-CE 4.32Å; I110-P162 HydrophobicContact CD1-CG 4.31Å; I110-P162 HydrophobicContact CG1-CB 3.93Å; I110-P162 HydrophobicContact CG1-CG 4.11Å; I110-P162 WeakPolarHBondContact CG1-O 3.36Å; I110-P162 HydrophobicContact CG2-CB 4.24Å; I110-C163 HydrophobicContact CG1-CB 4.22Å |
| 111 | S | 90.4 | Very high | 86.2 | Confident | 53 Ų | 53 | 38 Ų | 38 | 37% | 0.371 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -60.6 | -43.2 | 177.2 | -175.6 | 0 | 0 | 0 | 0 | 112.3 | K107 K108 I109 W114 W115 | K107-S111 PolarHBondContact O-N 3.27Å; K107-S111 VanDerWaalsContact O-N 3.1Å; K108-S111 WeakPolarHBondContact O-CB 3.48Å; K108-S111 PolarHBondContact O-N 3.47Å; I109-S111 VanDerWaalsContact C-N 3.3Å; I109-S111 PolarHBondContact O-N 2.94Å; S111-W114 WeakPolarHBondContact O-CB 3.22Å; S111-W114 PolarHBondContact O-N 3.19Å; S111-W115 PolarHBondContact O-N 3.33Å |
| 112 | V | 92.2 | Very high | 87.8 | Confident | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.012 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -72.9 | -34.4 | 178.4 | -175 | 0 | 0 | 0 | 0 | 112.4 | M79 E82 L83 K108 I109 I110 W114 W115 Y116 | M79-V112 HydrophobicContact CB-CG1 4Å; M79-V112 HydrophobicContact CG-CG1 4.05Å; E82-V112 HydrophobicContact CB-CG1 4.24Å; E82-V112 HydrophobicContact CB-CG2 3.75Å; E82-V112 HydrophobicContact CG-CG2 4.41Å; L83-V112 HydrophobicContact CD1-CG1 4.29Å; L83-V112 HydrophobicContact CD2-CB 4.05Å; L83-V112 HydrophobicContact CD2-CG1 4.01Å; L83-V112 HydrophobicContact CG-CB 4.31Å; L83-V112 HydrophobicContact CG-CG1 3.73Å; K108-V112 WeakPolarHBondContact O-CG2 3.3Å; K108-V112 PolarHBondContact O-N 3.27Å; I109-V112 PolarHBondContact O-N 3.44Å; I109-V112 VanDerWaalsContact O-N 3.15Å; I110-V112 PolarHBondContact O-N 2.9Å; V112-W114 VanDerWaalsContact C-N 3.27Å; V112-W114 PolarHBondContact O-N 3Å; V112-W115 WeakPolarHBondContact O-CB 2.99Å; V112-W115 PolarHBondContact O-N 3.04Å; V112-W115 VanDerWaalsContact O-N 3.16Å; V112-Y116 PolarHBondContact O-N 3Å |
| 113 | L | 91.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68.2 | -28.5 | 173.6 | -71.1 | -179.1 | 0 | 0 | 0 | 112.1 | L83 I109 I110 Y116 Y117 W154 M158 P162 A170 | L83-L113 HydrophobicContact CD1-CD2 4.34Å; L83-L113 HydrophobicContact CD2-CD2 4.14Å; L83-L113 HydrophobicContact CD2-CG 4.26Å; I109-L113 HydrophobicContact CG2-CD1 3.66Å; I109-L113 HydrophobicContact CG2-CG 3.97Å; I109-L113 WeakPolarHBondContact O-CB 3.46Å; I109-L113 VanDerWaalsContact O-CG 3.31Å; I109-L113 WeakPolarHBondContact O-CG 3.37Å; I109-L113 PolarHBondContact O-N 3.42Å; I110-L113 PolarHBondContact O-N 2.88Å; L113-Y116 WeakPolarHBondContact O-CB 3.13Å; L113-Y116 PolarHBondContact O-N 3.22Å; L113-Y117 PolarHBondContact O-N 3.42Å; L113-W154 HydrophobicContact CB-CZ3 4.45Å; L113-W154 HydrophobicContact CD2-CH2 3.89Å; L113-W154 HydrophobicContact CD2-CZ3 3.86Å; L113-M158 HydrophobicContact CB-CE 4.23Å; L113-M158 HydrophobicContact CB-SD 3.54Å; L113-M158 VanDerWaalsContact CB-SD 3.54Å; L113-P162 WeakPolarHBondContact CD1-O 3.29Å; L113-A170 HydrophobicContact CD2-CB 3.46Å; L113-A170 VanDerWaalsContact CD2-CB 3.46Å |
| 114 | W | 93.4 | Very high | 90.1 | Very high | 31 Ų | 31 | 32.8 Ų | 32.8 | 12% | 0.117 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.5 | -44.4 | 167.9 | 178.9 | 87.8 | 0 | 0 | 0 | 111.7 | M26 L27 I110 S111 V112 Y116 Y117 F118 M158 | M26-W114 HydrophobicContact CE-CB 3.39Å; M26-W114 HydrophobicContact CE-CD2 4.12Å; M26-W114 HydrophobicContact CE-CG 3.43Å; M26-W114 VanDerWaalsContact CE-CG 3.43Å; M26-W114 HydrophobicContact SD-CB 4.35Å; M26-W114 HydrophobicContact SD-CG 4.38Å; L27-W114 HydrophobicContact CB-CZ2 3.9Å; L27-W114 HydrophobicContact CD2-CZ2 4.23Å; L27-W114 PolarHBondContact O-NE1 3.23Å; I110-W114 PolarHBondContact O-N 3.37Å; S111-W114 WeakPolarHBondContact O-CB 3.22Å; S111-W114 PolarHBondContact O-N 3.19Å; V112-W114 VanDerWaalsContact C-N 3.27Å; V112-W114 PolarHBondContact O-N 3Å; W114-Y116 PolarHBondContact O-N 3.27Å; W114-Y117 WeakPolarHBondContact O-CB 3.4Å; W114-Y117 PolarHBondContact O-N 3.23Å; W114-F118 HydrophobicContact CH2-CB 4.35Å; W114-F118 HydrophobicContact CH2-CD2 4.32Å; W114-F118 HydrophobicContact CH2-CG 4.22Å; W114-F118 HydrophobicContact CZ2-CB 4.42Å; W114-F118 HydrophobicContact CZ2-CD2 4.21Å; W114-F118 HydrophobicContact CZ2-CG 4.42Å; W114-F118 WeakPolarHBondContact O-CB 3.49Å; W114-F118 PolarHBondContact O-N 3.1Å; W114-M158 HydrophobicContact CB-CE 3.91Å |
| 115 | W | 93.9 | Very high | 90.8 | Very high | 90 Ų | 90 | 29.7 Ų | 29.7 | 34% | 0.341 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -59.9 | -36.7 | 171.9 | -82.4 | 109.2 | 0 | 0 | 0 | 112.1 | L75 Y78 M79 S111 V112 F118 S119 | L75-W115 HydrophobicContact CD1-CD2 4.46Å; L75-W115 HydrophobicContact CD1-CE3 3.97Å; Y78-W115 HydrophobicContact CE1-CG 4.48Å; M79-W115 HydrophobicContact CG-CB 4.26Å; M79-W115 VanDerWaalsContact SD-C 3.56Å; M79-W115 HydrophobicContact SD-CB 4.12Å; S111-W115 PolarHBondContact O-N 3.33Å; V112-W115 WeakPolarHBondContact O-CB 2.99Å; V112-W115 PolarHBondContact O-N 3.04Å; V112-W115 VanDerWaalsContact O-N 3.16Å; W115-F118 HydrophobicContact CE3-CD1 4.28Å; W115-F118 HydrophobicContact CZ3-CD1 4.09Å; W115-F118 PolarHBondContact O-N 3.07Å; W115-S119 WeakPolarHBondContact O-CB 3.42Å; W115-S119 PolarHBondContact O-N 3.3Å |
| 116 | Y | 93.6 | Very high | 91.3 | Very high | 3 Ų | 3 | 29.6 Ų | 29.6 | 1% | 0.012 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.6 | -46.9 | 174.3 | -176.3 | -84.8 | 0 | 0 | 0 | 111.8 | M79 V112 L113 W114 F118 S119 K120 W154 A170 N173 | M79-Y116 HydrophobicContact CE-CD2 4.34Å; M79-Y116 WeakPolarHBondContact SD-CA 3.48Å; M79-Y116 HydrophobicContact SD-CD2 4.26Å; M79-Y116 PolarHBondContact SD-N 3.05Å; M79-Y116 VanDerWaalsContact SD-N 3.39Å; V112-Y116 PolarHBondContact O-N 3Å; L113-Y116 WeakPolarHBondContact O-CB 3.13Å; L113-Y116 PolarHBondContact O-N 3.22Å; W114-Y116 PolarHBondContact O-N 3.27Å; Y116-F118 PolarHBondContact O-N 2.9Å; Y116-S119 WeakPolarHBondContact O-CB 3.35Å; Y116-S119 PolarHBondContact O-N 3.46Å; Y116-S119 PolarHBondContact O-OG 3.43Å; Y116-K120 HydrophobicContact CE1-CD 4.5Å; Y116-K120 HydrophobicContact CE1-CG 4.5Å; Y116-K120 PolarHBondContact O-N 3.48Å; Y116-K120 VanDerWaalsContact OH-CE 3.24Å; Y116-K120 WeakPolarHBondContact OH-CE 3.45Å; Y116-W154 AromaticContact CD1-CD2 3.71Å; Y116-W154 HydrophobicContact CD1-CD2 3.71Å; Y116-W154 AromaticContact CD1-CE2 3.64Å; Y116-W154 AromaticContact CD1-CE3 3.92Å; Y116-W154 HydrophobicContact CD1-CE3 3.92Å; Y116-W154 HydrophobicContact CD1-CG 4.33Å; Y116-W154 AromaticContact CD1-CH2 3.98Å; Y116-W154 HydrophobicContact CD1-CH2 3.98Å; Y116-W154 AromaticContact CD1-CZ2 3.75Å; Y116-W154 HydrophobicContact CD1-CZ2 3.75Å; Y116-W154 HydrophobicContact CD1-CZ3 4.05Å; Y116-W154 AromaticContact CE1-CD1 3.92Å; Y116-W154 AromaticContact CE1-CD2 3.67Å; Y116-W154 HydrophobicContact CE1-CD2 3.67Å; Y116-W154 AromaticContact CE1-CE2 3.17Å; Y116-W154 HydrophobicContact CE1-CE3 4.31Å; Y116-W154 HydrophobicContact CE1-CG 4.12Å; Y116-W154 HydrophobicContact CE1-CH2 4.09Å; Y116-W154 AromaticContact CE1-CZ2 3.39Å; Y116-W154 HydrophobicContact CE1-CZ2 3.39Å; Y116-W154 HydrophobicContact CE1-CZ3 4.5Å; Y116-W154 AromaticContact CE1-NE1 3.36Å; Y116-A170 HydrophobicContact CD1-CB 4.37Å; Y116-A170 HydrophobicContact CD2-CB 3.97Å; Y116-A170 HydrophobicContact CE1-CB 4.5Å; Y116-A170 HydrophobicContact CE2-CB 4.04Å; Y116-A170 HydrophobicContact CG-CB 4.12Å; Y116-N173 HydrophobicContact CE2-CB 4.09Å; Y116-N173 VanDerWaalsContact CE2-OD1 3.22Å; Y116-N173 WeakPolarHBondContact CE2-OD1 3.21Å; Y116-N173 WeakPolarHBondContact OH-CB 3.25Å; Y116-N173 PolarHBondContact OH-OD1 2.85Å |
| 117 | Y | 93 | Very high | 91.7 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 0% | 0.004 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58.1 | -48.1 | 173.1 | 162.8 | -109.3 | 0 | 0 | 0 | 111.6 | L28 L29 T35 L113 W114 S119 K120 L151 W154 W155 | L28-Y117 HydrophobicContact CB-CE1 3.99Å; L28-Y117 PolarHBondContact O-OH 2.56Å; L29-Y117 HydrophobicContact CD2-CD1 4Å; L29-Y117 HydrophobicContact CD2-CE1 3.82Å; L29-Y117 HydrophobicContact CG-CE1 4.45Å; T35-Y117 HydrophobicContact CG2-CE2 4.38Å; T35-Y117 PolarHBondContact OG1-OH 3.05Å; L113-Y117 PolarHBondContact O-N 3.42Å; W114-Y117 WeakPolarHBondContact O-CB 3.4Å; W114-Y117 PolarHBondContact O-N 3.23Å; Y117-S119 VanDerWaalsContact C-N 3.27Å; Y117-S119 PolarHBondContact O-N 2.93Å; Y117-K120 WeakPolarHBondContact O-CB 3.42Å; Y117-K120 PolarHBondContact O-N 2.96Å; Y117-K120 VanDerWaalsContact O-N 3.1Å; Y117-L151 HydrophobicContact CD2-CD1 4.04Å; Y117-L151 HydrophobicContact CE2-CD1 3.53Å; Y117-L151 HydrophobicContact CE2-CG 4.23Å; Y117-L151 WeakPolarHBondContact CE2-O 3.37Å; Y117-W154 HydrophobicContact CD2-CB 3.89Å; Y117-W155 HydrophobicContact CE2-CB 3.98Å |
| 118 | F | 93.3 | Very high | 92.1 | Very high | 50 Ų | 50 | 29.1 Ų | 29.1 | 22% | 0.219 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.9 | -34.4 | 178.7 | -168.8 | -103.4 | 0 | 0 | 0 | 112.2 | W114 W115 Y116 K120 L121 I122 | W114-F118 HydrophobicContact CH2-CB 4.35Å; W114-F118 HydrophobicContact CH2-CD2 4.32Å; W114-F118 HydrophobicContact CH2-CG 4.22Å; W114-F118 HydrophobicContact CZ2-CB 4.42Å; W114-F118 HydrophobicContact CZ2-CD2 4.21Å; W114-F118 HydrophobicContact CZ2-CG 4.42Å; W114-F118 WeakPolarHBondContact O-CB 3.49Å; W114-F118 PolarHBondContact O-N 3.1Å; W115-F118 HydrophobicContact CE3-CD1 4.28Å; W115-F118 HydrophobicContact CZ3-CD1 4.09Å; W115-F118 PolarHBondContact O-N 3.07Å; Y116-F118 PolarHBondContact O-N 2.9Å; F118-K120 PolarHBondContact O-N 3.4Å; F118-L121 HydrophobicContact CE2-CD2 4.23Å; F118-L121 WeakPolarHBondContact O-CB 3.45Å; F118-L121 PolarHBondContact O-N 3.43Å; F118-I122 HydrophobicContact CD1-CD1 3.86Å; F118-I122 HydrophobicContact CD1-CG1 4.26Å; F118-I122 HydrophobicContact CE1-CD1 3.83Å; F118-I122 HydrophobicContact CE1-CG1 4.09Å; F118-I122 PolarHBondContact O-N 3.28Å |
| 119 | S | 93.9 | Very high | 92.3 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.007 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -58.1 | -35.4 | 175.3 | 81 | 0 | 0 | 0 | 0 | 111.9 | W115 Y116 Y117 L121 I122 E123 | W115-S119 WeakPolarHBondContact O-CB 3.42Å; W115-S119 PolarHBondContact O-N 3.3Å; Y116-S119 WeakPolarHBondContact O-CB 3.35Å; Y116-S119 PolarHBondContact O-N 3.46Å; Y116-S119 PolarHBondContact O-OG 3.43Å; Y117-S119 VanDerWaalsContact C-N 3.27Å; Y117-S119 PolarHBondContact O-N 2.93Å; S119-L121 PolarHBondContact O-N 3.12Å; S119-I122 WeakPolarHBondContact O-CA 3.24Å; S119-I122 WeakPolarHBondContact O-CB 3.41Å; S119-I122 PolarHBondContact O-N 3.33Å; S119-E123 VanDerWaalsContact O-CG 3.27Å; S119-E123 WeakPolarHBondContact O-CG 3.46Å; S119-E123 PolarHBondContact O-N 3.48Å |
| 120 | K | 93.4 | Very high | 92.4 | Very high | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.009 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.6 | -28.6 | 178.4 | -54 | -52 | 162.1 | -164.7 | 0 | 113.2 | Y116 Y117 F118 E123 F124 L151 N173 H177 | Y116-K120 HydrophobicContact CE1-CD 4.5Å; Y116-K120 HydrophobicContact CE1-CG 4.5Å; Y116-K120 PolarHBondContact O-N 3.48Å; Y116-K120 VanDerWaalsContact OH-CE 3.24Å; Y116-K120 WeakPolarHBondContact OH-CE 3.45Å; Y117-K120 WeakPolarHBondContact O-CB 3.42Å; Y117-K120 PolarHBondContact O-N 2.96Å; Y117-K120 VanDerWaalsContact O-N 3.1Å; F118-K120 PolarHBondContact O-N 3.4Å; K120-E123 VanDerWaalsContact CD-OE2 3.32Å; K120-E123 WeakPolarHBondContact CD-OE2 3.28Å; K120-E123 IonicContact NZ-OE1 3.29Å; K120-E123 PolarHBondContact NZ-OE1 3.38Å; K120-E123 IonicContact NZ-OE2 2.86Å; K120-E123 PolarHBondContact NZ-OE2 3.39Å; K120-F124 WeakPolarHBondContact O-CD1 3.12Å; K120-L151 HydrophobicContact CB-CD1 4.17Å; K120-N173 PolarHBondContact NZ-OD1 3.01Å; K120-H177 PolarHBondContact NZ-CE1 3.32Å; K120-H177 VanDerWaalsContact NZ-CE1 3.32Å |
| 121 | L | 93 | Very high | 92.5 | Very high | 37 Ų | 37 | 27 Ų | 27 | 19% | 0.194 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -71.1 | -41.4 | 170.6 | -176.2 | 61.4 | 0 | 0 | 0 | 111.5 | L28 L38 F118 S119 E123 F124 L151 | L28-L121 HydrophobicContact CD1-CD2 3.94Å; L38-L121 HydrophobicContact CB-CD1 4.22Å; L38-L121 HydrophobicContact CD1-CD1 3.81Å; L38-L121 HydrophobicContact CD1-CD2 3.97Å; L38-L121 HydrophobicContact CD2-CD1 4.22Å; L38-L121 HydrophobicContact CG-CD1 4.31Å; F118-L121 HydrophobicContact CE2-CD2 4.23Å; F118-L121 WeakPolarHBondContact O-CB 3.45Å; F118-L121 PolarHBondContact O-N 3.43Å; S119-L121 PolarHBondContact O-N 3.12Å; L121-E123 VanDerWaalsContact C-N 3.29Å; L121-E123 PolarHBondContact O-N 2.85Å; L121-F124 HydrophobicContact CD1-CD2 3.91Å; L121-F124 HydrophobicContact CD1-CE2 4.15Å; L121-F124 WeakPolarHBondContact O-CB 3.39Å; L121-F124 PolarHBondContact O-N 2.92Å; L121-L151 HydrophobicContact CB-CD1 4.21Å; L121-L151 HydrophobicContact CD1-CD2 4.3Å |
| 122 | I | 94.1 | Very high | 92.4 | Very high | 42 Ų | 42 | 25.9 Ų | 25.9 | 22% | 0.215 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.7 | -40.9 | 175.6 | -62 | 173.2 | 0 | 0 | 0 | 110.4 | Y68 V72 L75 F118 S119 F124 I125 | Y68-I122 HydrophobicContact CE2-CG2 3.9Å; Y68-I122 PolarHBondContact OH-O 3.28Å; V72-I122 HydrophobicContact CG2-CG2 4.01Å; L75-I122 HydrophobicContact CD2-CD1 3.92Å; F118-I122 HydrophobicContact CD1-CD1 3.86Å; F118-I122 HydrophobicContact CD1-CG1 4.26Å; F118-I122 HydrophobicContact CE1-CD1 3.83Å; F118-I122 HydrophobicContact CE1-CG1 4.09Å; F118-I122 PolarHBondContact O-N 3.28Å; S119-I122 WeakPolarHBondContact O-CA 3.24Å; S119-I122 WeakPolarHBondContact O-CB 3.41Å; S119-I122 PolarHBondContact O-N 3.33Å; I122-F124 PolarHBondContact O-N 3.29Å; I122-F124 VanDerWaalsContact O-N 3.1Å; I122-I125 HydrophobicContact CG2-CD1 4.4Å; I122-I125 VanDerWaalsContact O-CB 3.23Å; I122-I125 WeakPolarHBondContact O-CB 3.46Å; I122-I125 WeakPolarHBondContact O-CG1 3.45Å; I122-I125 PolarHBondContact O-N 3.42Å |
| 123 | E | 93.7 | Very high | 92.3 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -17.2 | 179.5 | -68.1 | 176.1 | -169.4 | 0 | 0 | 113.4 | S119 K120 L121 I125 D126 H147 H177 Y181 | S119-E123 VanDerWaalsContact O-CG 3.27Å; S119-E123 WeakPolarHBondContact O-CG 3.46Å; S119-E123 PolarHBondContact O-N 3.48Å; K120-E123 VanDerWaalsContact CD-OE2 3.32Å; K120-E123 WeakPolarHBondContact CD-OE2 3.28Å; K120-E123 IonicContact NZ-OE1 3.29Å; K120-E123 PolarHBondContact NZ-OE1 3.38Å; K120-E123 IonicContact NZ-OE2 2.86Å; K120-E123 PolarHBondContact NZ-OE2 3.39Å; L121-E123 VanDerWaalsContact C-N 3.29Å; L121-E123 PolarHBondContact O-N 2.85Å; E123-I125 PolarHBondContact O-N 3.02Å; E123-D126 VanDerWaalsContact O-CB 3.24Å; E123-D126 WeakPolarHBondContact O-CB 3.35Å; E123-D126 PolarHBondContact O-N 3.21Å; E123-H147 IonicContact OE2-CE1 3.77Å; E123-H177 VanDerWaalsContact CD-CE1 3.49Å; E123-H177 IonicContact OE1-CE1 3.37Å; E123-H177 PolarHBondContact OE1-CE1 3.07Å; E123-H177 IonicContact OE1-ND1 2.95Å; E123-H177 PolarHBondContact OE1-ND1 3.45Å; E123-H177 IonicContact OE2-CE1 2.9Å; E123-H177 PolarHBondContact OE2-CE1 2.94Å; E123-Y181 WeakPolarHBondContact CG-OH 3.37Å |
| 124 | F | 93.3 | Very high | 92 | Very high | 19 Ų | 19 | 33.8 Ų | 33.8 | 8% | 0.083 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.1 | -27.4 | 171.4 | -72.7 | -0.6 | 0 | 0 | 0 | 112.4 | Y42 K120 L121 I122 D126 T127 F128 H147 L151 | Y42-F124 HydrophobicContact CD2-CB 3.88Å; Y42-F124 AromaticContact CD2-CD1 3.97Å; Y42-F124 HydrophobicContact CD2-CD1 3.97Å; Y42-F124 AromaticContact CD2-CD2 3.92Å; Y42-F124 HydrophobicContact CD2-CD2 3.92Å; Y42-F124 HydrophobicContact CD2-CE1 4.48Å; Y42-F124 HydrophobicContact CD2-CE2 4.41Å; Y42-F124 AromaticContact CD2-CG 3.66Å; Y42-F124 HydrophobicContact CD2-CG 3.66Å; Y42-F124 HydrophobicContact CE2-CB 4.26Å; Y42-F124 HydrophobicContact CE2-CD1 4.12Å; Y42-F124 HydrophobicContact CE2-CG 4.18Å; Y42-F124 HydrophobicContact CG-CD1 4.36Å; Y42-F124 HydrophobicContact CG-CD2 4.02Å; Y42-F124 HydrophobicContact CG-CE1 4.43Å; Y42-F124 HydrophobicContact CG-CE2 4.08Å; Y42-F124 HydrophobicContact CG-CG 4.15Å; Y42-F124 HydrophobicContact CG-CZ 4.28Å; K120-F124 WeakPolarHBondContact O-CD1 3.12Å; L121-F124 HydrophobicContact CD1-CD2 3.91Å; L121-F124 HydrophobicContact CD1-CE2 4.15Å; L121-F124 WeakPolarHBondContact O-CB 3.39Å; L121-F124 PolarHBondContact O-N 2.92Å; I122-F124 PolarHBondContact O-N 3.29Å; I122-F124 VanDerWaalsContact O-N 3.1Å; F124-D126 PolarHBondContact O-N 3.27Å; F124-T127 PolarHBondContact O-N 3.22Å; F124-T127 VanDerWaalsContact O-N 3.15Å; F124-F128 PolarHBondContact O-N 3.37Å; F124-H147 HydrophobicContact CD1-CB 4.07Å; F124-H147 HydrophobicContact CE1-CB 3.92Å; F124-H147 WeakPolarHBondContact CE1-O 3.38Å; F124-L151 HydrophobicContact CE1-CB 4.42Å; F124-L151 HydrophobicContact CE2-CD2 3.61Å; F124-L151 HydrophobicContact CZ-CB 3.91Å; F124-L151 HydrophobicContact CZ-CD2 3.54Å; F124-L151 HydrophobicContact CZ-CG 4.31Å |
| 125 | I | 93 | Very high | 91.6 | Very high | 70 Ų | 70 | 33.9 Ų | 33.9 | 36% | 0.359 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -63.7 | -25.6 | 177.5 | -56.3 | 172.1 | 0 | 0 | 0 | 111 | Y68 I122 E123 T127 F128 F129 | Y68-I125 HydrophobicContact CD2-CB 4.49Å; Y68-I125 HydrophobicContact CD2-CG2 4.19Å; Y68-I125 HydrophobicContact CE2-CB 3.75Å; Y68-I125 HydrophobicContact CE2-CD1 4.18Å; Y68-I125 HydrophobicContact CE2-CG2 3.92Å; I122-I125 HydrophobicContact CG2-CD1 4.4Å; I122-I125 VanDerWaalsContact O-CB 3.23Å; I122-I125 WeakPolarHBondContact O-CB 3.46Å; I122-I125 WeakPolarHBondContact O-CG1 3.45Å; I122-I125 PolarHBondContact O-N 3.42Å; E123-I125 PolarHBondContact O-N 3.02Å; I125-T127 VanDerWaalsContact C-N 3.27Å; I125-T127 PolarHBondContact O-N 3.34Å; I125-F128 WeakPolarHBondContact O-CB 3.28Å; I125-F128 PolarHBondContact O-N 3.21Å; I125-F128 VanDerWaalsContact O-N 3.12Å; I125-F129 HydrophobicContact CG2-CD2 3.8Å; I125-F129 HydrophobicContact CG2-CE2 3.41Å; I125-F129 VanDerWaalsContact CG2-CE2 3.41Å; I125-F129 HydrophobicContact CG2-CZ 4.08Å; I125-F129 VanDerWaalsContact O-CD2 3.3Å; I125-F129 WeakPolarHBondContact O-CD2 3.48Å; I125-F129 PolarHBondContact O-N 3.46Å |
| 126 | D | 90.9 | Very high | 91.1 | Very high | 11 Ų | 11 | 33.4 Ų | 33.4 | 6% | 0.059 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -54.7 | -47.2 | 173.1 | -70.4 | -25.9 | 0 | 0 | 0 | 111.4 | Y68 E123 F124 F128 F129 F130 Y181 | Y68-D126 WeakPolarHBondContact CE1-OD1 3.45Å; Y68-D126 VanDerWaalsContact OH-CG 3.23Å; Y68-D126 PolarHBondContact OH-OD1 2.85Å; E123-D126 VanDerWaalsContact O-CB 3.24Å; E123-D126 WeakPolarHBondContact O-CB 3.35Å; E123-D126 PolarHBondContact O-N 3.21Å; F124-D126 PolarHBondContact O-N 3.27Å; D126-F128 VanDerWaalsContact C-N 3.29Å; D126-F128 PolarHBondContact O-N 3.37Å; D126-F129 PolarHBondContact O-N 2.93Å; D126-F130 WeakPolarHBondContact O-CD1 3.5Å; D126-F130 VanDerWaalsContact O-CG 3.29Å; D126-F130 WeakPolarHBondContact O-CG 3.46Å; D126-F130 PolarHBondContact O-N 3.32Å; D126-Y181 WeakPolarHBondContact OD2-CE1 3.35Å; D126-Y181 PolarHBondContact OD2-OH 3.06Å |
| 127 | T | 91.6 | Very high | 90.5 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.9 | -35.3 | -177.8 | -41 | 0 | 0 | 0 | 0 | 110.6 | Y42 V46 F124 I125 F130 I131 I139 H143 | Y42-T127 HydrophobicContact CE2-CG2 4.09Å; Y42-T127 VanDerWaalsContact CE2-OG1 3.29Å; Y42-T127 WeakPolarHBondContact CE2-OG1 3.43Å; Y42-T127 PolarHBondContact OH-OG1 2.95Å; V46-T127 HydrophobicContact CG2-CG2 3.58Å; F124-T127 PolarHBondContact O-N 3.22Å; F124-T127 VanDerWaalsContact O-N 3.15Å; I125-T127 VanDerWaalsContact C-N 3.27Å; I125-T127 PolarHBondContact O-N 3.34Å; T127-F130 PolarHBondContact O-N 3.49Å; T127-I131 HydrophobicContact CG2-CD1 4.43Å; T127-I131 VanDerWaalsContact O-CG1 3.28Å; T127-I131 WeakPolarHBondContact O-CG1 3.34Å; T127-I131 PolarHBondContact O-N 3.47Å; T127-I139 HydrophobicContact CG2-CD1 4.48Å; T127-I139 HydrophobicContact CG2-CG1 4.39Å; T127-I139 HydrophobicContact CG2-CG2 4.27Å; T127-H143 PolarHBondContact OG1-NE2 3.22Å |
| 128 | F | 91.3 | Very high | 90 | Very high | 101 Ų | 101 | 42.5 Ų | 42.5 | 44% | 0.443 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.1 | -44.2 | 173.6 | -174.9 | -110.5 | 0 | 0 | 0 | 111.6 | I45 F124 I125 D126 F130 I131 L132 | I45-F128 HydrophobicContact CG2-CD2 4.45Å; F124-F128 PolarHBondContact O-N 3.37Å; I125-F128 WeakPolarHBondContact O-CB 3.28Å; I125-F128 PolarHBondContact O-N 3.21Å; I125-F128 VanDerWaalsContact O-N 3.12Å; D126-F128 VanDerWaalsContact C-N 3.29Å; D126-F128 PolarHBondContact O-N 3.37Å; F128-F130 VanDerWaalsContact C-N 3.33Å; F128-F130 PolarHBondContact O-N 3.32Å; F128-I131 PolarHBondContact O-N 3.12Å; F128-L132 HydrophobicContact CD1-CD1 3.78Å; F128-L132 HydrophobicContact CD1-CG 4.31Å; F128-L132 HydrophobicContact CE1-CD1 3.28Å; F128-L132 HydrophobicContact CE1-CG 4.02Å; F128-L132 HydrophobicContact CE2-CD1 4.39Å; F128-L132 HydrophobicContact CE2-CD2 4.38Å; F128-L132 HydrophobicContact CE2-CG 4.29Å; F128-L132 HydrophobicContact CZ-CD1 3.64Å; F128-L132 HydrophobicContact CZ-CD2 4.14Å; F128-L132 HydrophobicContact CZ-CG 3.99Å; F128-L132 WeakPolarHBondContact O-CG 3.45Å; F128-L132 PolarHBondContact O-N 3.39Å |
| 129 | F | 90.8 | Very high | 89.8 | Confident | 17 Ų | 17 | 41.6 Ų | 41.6 | 8% | 0.075 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62 | -38.7 | 173.7 | -75.8 | -57.1 | 0 | 0 | 0 | 112.7 | L64 M65 Y68 I125 D126 R133 | L64-F129 HydrophobicContact CD2-CE1 3.97Å; L64-F129 HydrophobicContact CD2-CZ 4.08Å; L64-F129 HydrophobicContact CG-CE1 4.19Å; L64-F129 HydrophobicContact CG-CZ 3.98Å; M65-F129 HydrophobicContact CG-CD1 3.71Å; M65-F129 HydrophobicContact CG-CD2 4.42Å; M65-F129 HydrophobicContact CG-CE1 3.89Å; M65-F129 HydrophobicContact CG-CG 4.02Å; M65-F129 HydrophobicContact CG-CZ 4.32Å; M65-F129 HydrophobicContact SD-CD1 4.45Å; Y68-F129 HydrophobicContact CD1-CD2 4.16Å; Y68-F129 AromaticContact CD1-CE2 3.69Å; Y68-F129 HydrophobicContact CD1-CE2 3.69Å; Y68-F129 HydrophobicContact CD2-CE2 4.03Å; Y68-F129 HydrophobicContact CE1-CD2 4.33Å; Y68-F129 HydrophobicContact CE1-CE2 4.19Å; Y68-F129 HydrophobicContact CE2-CE2 4.47Å; Y68-F129 HydrophobicContact CG-CD2 4.48Å; Y68-F129 AromaticContact CG-CE2 3.6Å; Y68-F129 HydrophobicContact CG-CE2 3.6Å; Y68-F129 HydrophobicContact CG-CZ 4.36Å; I125-F129 HydrophobicContact CG2-CD2 3.8Å; I125-F129 HydrophobicContact CG2-CE2 3.41Å; I125-F129 VanDerWaalsContact CG2-CE2 3.41Å; I125-F129 HydrophobicContact CG2-CZ 4.08Å; I125-F129 VanDerWaalsContact O-CD2 3.3Å; I125-F129 WeakPolarHBondContact O-CD2 3.48Å; I125-F129 PolarHBondContact O-N 3.46Å; D126-F129 PolarHBondContact O-N 2.93Å; F129-R133 WeakPolarHBondContact O-CB 3.23Å; F129-R133 WeakPolarHBondContact O-CG 3.45Å; F129-R133 PolarHBondContact O-N 2.94Å; F129-R133 VanDerWaalsContact O-N 3.09Å |
| 130 | F | 90 | Very high | 89.5 | Confident | 29 Ų | 29 | 43.9 Ų | 43.9 | 13% | 0.127 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.8 | -43.6 | 176 | -61.5 | -18.2 | 0 | 0 | 0 | 111.7 | D126 T127 F128 R133 K134 N135 Q138 I139 H143 | D126-F130 WeakPolarHBondContact O-CD1 3.5Å; D126-F130 VanDerWaalsContact O-CG 3.29Å; D126-F130 WeakPolarHBondContact O-CG 3.46Å; D126-F130 PolarHBondContact O-N 3.32Å; T127-F130 PolarHBondContact O-N 3.49Å; F128-F130 VanDerWaalsContact C-N 3.33Å; F128-F130 PolarHBondContact O-N 3.32Å; F130-R133 PolarHBondContact O-N 3.22Å; F130-K134 PolarHBondContact O-N 3.15Å; F130-N135 PolarHBondContact O-N 3.23Å; F130-Q138 HydrophobicContact CD1-CB 4.42Å; F130-Q138 HydrophobicContact CD2-CB 3.83Å; F130-Q138 HydrophobicContact CE2-CB 3.95Å; F130-Q138 HydrophobicContact CG-CB 4.08Å; F130-Q138 HydrophobicContact CZ-CB 4.33Å; F130-I139 HydrophobicContact CB-CD1 4.08Å; F130-I139 HydrophobicContact CB-CG1 3.8Å; F130-I139 HydrophobicContact CD2-CG1 4.27Å; F130-H143 AromaticContact CE2-CE1 3.63Å; F130-H143 AromaticContact CE2-NE2 4Å |
| 131 | I | 91.1 | Very high | 89.2 | Confident | 5 Ų | 5 | 50.9 Ų | 50.9 | 3% | 0.026 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.3 | -50.3 | 177.2 | -67.5 | 165.4 | 0 | 0 | 0 | 110.9 | I45 G49 P50 M53 T127 F128 R133 K134 I139 | I45-I131 HydrophobicContact CG2-CD1 3.93Å; G49-I131 VanDerWaalsContact C-CG2 3.46Å; P50-I131 HydrophobicContact CG-CG1 4.41Å; M53-I131 HydrophobicContact CG-CG2 3.92Å; T127-I131 HydrophobicContact CG2-CD1 4.43Å; T127-I131 VanDerWaalsContact O-CG1 3.28Å; T127-I131 WeakPolarHBondContact O-CG1 3.34Å; T127-I131 PolarHBondContact O-N 3.47Å; F128-I131 PolarHBondContact O-N 3.12Å; I131-R133 PolarHBondContact O-N 2.84Å; I131-K134 PolarHBondContact O-N 3.31Å; I131-I139 HydrophobicContact CD1-CD1 4.44Å; I131-I139 HydrophobicContact CG1-CD1 3.5Å; I131-I139 VanDerWaalsContact CG1-CD1 3.5Å |
| 132 | L | 89.6 | Confident | 88.9 | Confident | 31 Ų | 31 | 50 Ų | 50 | 16% | 0.162 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.2 | -30.3 | -178.6 | -73.5 | -175.2 | 0 | 0 | 0 | 113.1 | M53 Y59 F128 K134 | M53-L132 VanDerWaalsContact CE-O 3.27Å; M53-L132 WeakPolarHBondContact CE-O 3.31Å; M53-L132 HydrophobicContact SD-CD2 4.29Å; Y59-L132 HydrophobicContact CD2-CD2 4.02Å; Y59-L132 HydrophobicContact CE2-CD2 4.4Å; Y59-L132 PolarHBondContact N-O 3.49Å; F128-L132 HydrophobicContact CD1-CD1 3.78Å; F128-L132 HydrophobicContact CD1-CG 4.31Å; F128-L132 HydrophobicContact CE1-CD1 3.28Å; F128-L132 HydrophobicContact CE1-CG 4.02Å; F128-L132 HydrophobicContact CE2-CD1 4.39Å; F128-L132 HydrophobicContact CE2-CD2 4.38Å; F128-L132 HydrophobicContact CE2-CG 4.29Å; F128-L132 HydrophobicContact CZ-CD1 3.64Å; F128-L132 HydrophobicContact CZ-CD2 4.14Å; F128-L132 HydrophobicContact CZ-CG 3.99Å; F128-L132 WeakPolarHBondContact O-CG 3.45Å; F128-L132 PolarHBondContact O-N 3.39Å; L132-K134 VanDerWaalsContact C-N 3.33Å |
| 133 | R | 88.4 | Confident | 88.7 | Confident | 91 Ų | 91 | 49.4 Ų | 49.4 | 34% | 0.343 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 3 | 176.5 | -71.6 | -175.4 | 62.6 | -165 | -7.5 | 114.1 | M65 F129 F130 I131 N135 | M65-R133 WeakPolarHBondContact SD-CD 3.3Å; M65-R133 PolarHBondContact SD-NH1 3.28Å; M65-R133 VanDerWaalsContact SD-NH1 3.42Å; F129-R133 WeakPolarHBondContact O-CB 3.23Å; F129-R133 WeakPolarHBondContact O-CG 3.45Å; F129-R133 PolarHBondContact O-N 2.94Å; F129-R133 VanDerWaalsContact O-N 3.09Å; F130-R133 PolarHBondContact O-N 3.22Å; I131-R133 PolarHBondContact O-N 2.84Å; R133-N135 HydrophobicContact CB-CB 4.38Å; R133-N135 PolarHBondContact O-N 3.46Å |
| 134 | K | 86.4 | Confident | 88.6 | Confident | 76 Ų | 76 | 50.7 Ų | 50.7 | 33% | 0.33 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 28.1 | -171.2 | -64.7 | -171.7 | 164.1 | -171.9 | 0 | 113.7 | M53 K54 R56 P58 F130 I131 L132 N136 | M53-K134 HydrophobicContact CE-CG 4.38Å; M53-K134 WeakPolarHBondContact O-CE 3.38Å; M53-K134 PolarHBondContact O-NZ 3.3Å; K54-K134 PolarHBondContact O-NZ 3Å; R56-K134 WeakPolarHBondContact O-CE 3.35Å; R56-K134 PolarHBondContact O-NZ 2.86Å; P58-K134 HydrophobicContact CB-CB 4.49Å; P58-K134 HydrophobicContact CB-CD 4.45Å; P58-K134 HydrophobicContact CB-CG 4.26Å; F130-K134 PolarHBondContact O-N 3.15Å; I131-K134 PolarHBondContact O-N 3.31Å; L132-K134 VanDerWaalsContact C-N 3.33Å; K134-N136 PolarHBondContact O-N 3.45Å |
| 135 | N | 84.7 | Confident | 88.4 | Confident | 33 Ų | 33 | 53.3 Ų | 53.3 | 18% | 0.176 | 25% | 0.25 | C | C | . | . | trans | -87.3 | 51.6 | -176.3 | -147.7 | 19.8 | 0 | 0 | 0 | 112.5 | F130 R133 H137 Q138 | F130-N135 PolarHBondContact O-N 3.23Å; R133-N135 HydrophobicContact CB-CB 4.38Å; R133-N135 PolarHBondContact O-N 3.46Å; N135-H137 PolarHBondContact O-N 2.87Å; N135-H137 PolarHBondContact OD1-CE1 3.17Å; N135-H137 PolarHBondContact OD1-ND1 3.05Å; N135-Q138 WeakPolarHBondContact ND2-CG 3.41Å; N135-Q138 PolarHBondContact ND2-NE2 3.49Å; N135-Q138 PolarHBondContact ND2-OE1 2.95Å; N135-Q138 PolarHBondContact O-N 3.36Å | ||
| 136 | N | 83.1 | Confident | 88.3 | Confident | 80 Ų | 80 | 51 Ų | 51 | 43% | 0.428 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -61.2 | -22.2 | -170.2 | -65.3 | -27.6 | 0 | 0 | 0 | 113.4 | K134 Q138 I139 | K134-N136 PolarHBondContact O-N 3.45Å; N136-Q138 PolarHBondContact O-N 3.4Å; N136-I139 PolarHBondContact O-N 3.07Å; N136-I139 VanDerWaalsContact O-N 3.16Å |
| 137 | H | 81.6 | Confident | 88.3 | Confident | 140 Ų | 140 | 51 Ų | 51 | 65% | 0.648 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -66 | -20.7 | 176 | 79.4 | -98.6 | 0 | 0 | 0 | 113.4 | N135 | N135-H137 PolarHBondContact O-N 2.87Å; N135-H137 PolarHBondContact OD1-CE1 3.17Å; N135-H137 PolarHBondContact OD1-ND1 3.05Å |
| 138 | Q | 83.3 | Confident | 88.3 | Confident | 56 Ų | 56 | 51.7 Ų | 51.7 | 26% | 0.262 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -83.8 | -23.1 | 175.8 | -64.5 | -170.2 | -41.8 | 0 | 0 | 112.3 | F130 N135 N136 T140 | F130-Q138 HydrophobicContact CD1-CB 4.42Å; F130-Q138 HydrophobicContact CD2-CB 3.83Å; F130-Q138 HydrophobicContact CE2-CB 3.95Å; F130-Q138 HydrophobicContact CG-CB 4.08Å; F130-Q138 HydrophobicContact CZ-CB 4.33Å; N135-Q138 WeakPolarHBondContact ND2-CG 3.41Å; N135-Q138 PolarHBondContact ND2-NE2 3.49Å; N135-Q138 PolarHBondContact ND2-OE1 2.95Å; N135-Q138 PolarHBondContact O-N 3.36Å; N136-Q138 PolarHBondContact O-N 3.4Å; Q138-T140 PolarHBondContact O-N 3.27Å |
| 139 | I | 87.9 | Confident | 88.3 | Confident | 31 Ų | 31 | 47.9 Ų | 47.9 | 16% | 0.159 | 23% | 0.229 | C | C | . | . | trans | -81.4 | 70.3 | 177.6 | -48.3 | 175.5 | 0 | 0 | 0 | 108.5 | V46 T127 F130 I131 N136 V144 | V46-I139 HydrophobicContact CG1-CG2 3.96Å; T127-I139 HydrophobicContact CG2-CD1 4.48Å; T127-I139 HydrophobicContact CG2-CG1 4.39Å; T127-I139 HydrophobicContact CG2-CG2 4.27Å; F130-I139 HydrophobicContact CB-CD1 4.08Å; F130-I139 HydrophobicContact CB-CG1 3.8Å; F130-I139 HydrophobicContact CD2-CG1 4.27Å; I131-I139 HydrophobicContact CD1-CD1 4.44Å; I131-I139 HydrophobicContact CG1-CD1 3.5Å; I131-I139 VanDerWaalsContact CG1-CD1 3.5Å; N136-I139 PolarHBondContact O-N 3.07Å; N136-I139 VanDerWaalsContact O-N 3.16Å; I139-V144 HydrophobicContact CG2-CG2 3.7Å | ||
| 140 | T | 88.8 | Confident | 88.3 | Confident | 48 Ų | 48 | 47.7 Ų | 47.7 | 29% | 0.294 | 23% | 0.228 | S | C | . | . | trans | -82.7 | 163.2 | 178.1 | 64.2 | 0 | 0 | 0 | 0 | 111.2 | Q138 L142 H143 V144 | Q138-T140 PolarHBondContact O-N 3.27Å; T140-L142 PolarHBondContact O-N 2.95Å; T140-H143 WeakPolarHBondContact O-CB 3.42Å; T140-H143 PolarHBondContact O-N 3.47Å; T140-H143 VanDerWaalsContact O-N 3.15Å; T140-H143 PolarHBondContact OG1-N 3.36Å; T140-V144 PolarHBondContact O-N 2.95Å; T140-V144 VanDerWaalsContact O-N 3.11Å | ||
| 141 | F | 87.4 | Confident | 88.3 | Confident | 149 Ų | 149 | 46.3 Ų | 46.3 | 65% | 0.654 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -53.5 | -42.9 | 171 | 174.3 | -99.4 | 0 | 0 | 0 | 111.7 | H143 V144 Y145 L245 | F141-H143 PolarHBondContact O-N 2.86Å; F141-V144 PolarHBondContact O-N 3.48Å; F141-Y145 WeakPolarHBondContact O-CB 3.35Å; F141-Y145 PolarHBondContact O-N 2.88Å; F141-L245 HydrophobicContact CD1-CD2 4.05Å; F141-L245 HydrophobicContact CE1-CD2 3.88Å |
| 142 | L | 85.8 | Confident | 88.3 | Confident | 20 Ų | 20 | 47.1 Ų | 47.1 | 11% | 0.105 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.5 | -45.4 | 177.9 | 174 | 56.5 | 0 | 0 | 0 | 112 | T140 H146 F242 L245 F246 F249 | T140-L142 PolarHBondContact O-N 2.95Å; L142-H146 VanDerWaalsContact O-CB 3.26Å; L142-H146 WeakPolarHBondContact O-CB 3.43Å; L142-H146 PolarHBondContact O-N 3.29Å; L142-F242 HydrophobicContact CD1-CE1 4.43Å; L142-L245 HydrophobicContact CD1-CB 3.76Å; L142-L245 HydrophobicContact CD1-CD1 4.24Å; L142-F246 HydrophobicContact CD1-CD2 3.82Å; L142-F246 HydrophobicContact CD1-CE2 3.68Å; L142-F246 HydrophobicContact CD2-CD1 4.19Å; L142-F246 HydrophobicContact CD2-CD2 3.76Å; L142-F246 HydrophobicContact CD2-CE1 4.2Å; L142-F246 HydrophobicContact CD2-CE2 3.77Å; L142-F246 HydrophobicContact CD2-CG 3.98Å; L142-F246 HydrophobicContact CD2-CZ 4Å; L142-F246 HydrophobicContact CG-CD2 4.33Å; L142-F246 HydrophobicContact CG-CE2 4.05Å; L142-F246 HydrophobicContact CG-CZ 4.46Å; L142-F249 HydrophobicContact CD2-CB 4.19Å; L142-F249 HydrophobicContact CD2-CG 4.5Å |
| 143 | H | 88.9 | Confident | 88.3 | Confident | 29 Ų | 29 | 46.6 Ų | 46.6 | 13% | 0.134 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.9 | -53.6 | 178.2 | -177.9 | 82.9 | 0 | 0 | 0 | 111.3 | T127 F130 T140 F141 H146 H147 | T127-H143 PolarHBondContact OG1-NE2 3.22Å; F130-H143 AromaticContact CE2-CE1 3.63Å; F130-H143 AromaticContact CE2-NE2 4Å; T140-H143 WeakPolarHBondContact O-CB 3.42Å; T140-H143 PolarHBondContact O-N 3.47Å; T140-H143 VanDerWaalsContact O-N 3.15Å; T140-H143 PolarHBondContact OG1-N 3.36Å; F141-H143 PolarHBondContact O-N 2.86Å; H143-H146 PolarHBondContact O-N 3.29Å; H143-H147 AromaticContact CD2-CD2 3.81Å; H143-H147 AromaticContact CE1-CD2 3.21Å; H143-H147 PolarHBondContact CE1-CD2 3.47Å; H143-H147 AromaticContact CE1-NE2 3.1Å; H143-H147 PolarHBondContact CE1-NE2 2.72Å; H143-H147 AromaticContact CG-CD2 3.94Å; H143-H147 AromaticContact ND1-CD2 3.61Å; H143-H147 AromaticContact ND1-NE2 3.59Å; H143-H147 AromaticContact NE2-CD2 3.36Å; H143-H147 PolarHBondContact NE2-CD2 2.92Å; H143-H147 AromaticContact NE2-NE2 3.71Å; H143-H147 PolarHBondContact O-CD2 3.29Å; H143-H147 PolarHBondContact O-N 3.34Å |
| 144 | V | 92.4 | Very high | 88.4 | Confident | 27 Ų | 27 | 43.3 Ų | 43.3 | 16% | 0.164 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.4 | -42.8 | -177.1 | -179.3 | 0 | 0 | 0 | 0 | 111.4 | Y42 L43 V46 I139 T140 F141 H146 A148 | Y42-V144 HydrophobicContact CE1-CG1 4.14Å; L43-V144 HydrophobicContact CD2-CG1 3.74Å; V46-V144 HydrophobicContact CG1-CG1 4.35Å; V46-V144 HydrophobicContact CG1-CG2 3.8Å; I139-V144 HydrophobicContact CG2-CG2 3.7Å; T140-V144 PolarHBondContact O-N 2.95Å; T140-V144 VanDerWaalsContact O-N 3.11Å; F141-V144 PolarHBondContact O-N 3.48Å; V144-H146 PolarHBondContact O-N 3.35Å; V144-A148 WeakPolarHBondContact O-CB 3.15Å; V144-A148 PolarHBondContact O-N 2.81Å |
| 145 | Y | 90.2 | Very high | 88.6 | Confident | 75 Ų | 75 | 39.7 Ų | 39.7 | 29% | 0.294 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -56.4 | -51 | 175.2 | 173.2 | -107 | 0 | 0 | 0 | 110.6 | F141 A148 S149 S241 F242 L245 | F141-Y145 WeakPolarHBondContact O-CB 3.35Å; F141-Y145 PolarHBondContact O-N 2.88Å; Y145-A148 PolarHBondContact O-N 3.42Å; Y145-S149 VanDerWaalsContact O-CB 3.31Å; Y145-S149 WeakPolarHBondContact O-CB 3.44Å; Y145-S149 PolarHBondContact O-N 3.37Å; Y145-S149 PolarHBondContact O-OG 3.16Å; Y145-S241 PolarHBondContact OH-OG 3.34Å; Y145-F242 HydrophobicContact CD1-CE2 4.12Å; Y145-F242 HydrophobicContact CD1-CZ 4.25Å; Y145-F242 HydrophobicContact CE1-CD2 4.22Å; Y145-F242 AromaticContact CE1-CE2 3.59Å; Y145-F242 HydrophobicContact CE1-CE2 3.59Å; Y145-F242 HydrophobicContact CE1-CZ 4.18Å; Y145-L245 HydrophobicContact CD1-CD1 3.68Å; Y145-L245 HydrophobicContact CE1-CD1 3.69Å |
| 146 | H | 89.9 | Confident | 88.8 | Confident | 22 Ų | 22 | 40 Ų | 40 | 10% | 0.102 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.3 | -52.6 | -179.9 | 168 | -98.3 | 0 | 0 | 0 | 113.1 | L142 H143 V144 A148 S149 M150 F242 | L142-H146 VanDerWaalsContact O-CB 3.26Å; L142-H146 WeakPolarHBondContact O-CB 3.43Å; L142-H146 PolarHBondContact O-N 3.29Å; H143-H146 PolarHBondContact O-N 3.29Å; V144-H146 PolarHBondContact O-N 3.35Å; H146-A148 PolarHBondContact O-N 3.14Å; H146-S149 PolarHBondContact O-N 3.4Å; H146-S149 PolarHBondContact O-OG 3.22Å; H146-M150 VanDerWaalsContact CD2-CG 3.46Å; H146-M150 WeakPolarHBondContact CD2-CG 3.35Å; H146-M150 VanDerWaalsContact NE2-CE 3.35Å; H146-M150 WeakPolarHBondContact NE2-CE 3.25Å; H146-M150 WeakPolarHBondContact NE2-CG 3.48Å; H146-M150 VanDerWaalsContact O-CB 3.22Å; H146-M150 WeakPolarHBondContact O-CB 3.48Å; H146-M150 WeakPolarHBondContact O-CG 3.39Å; H146-M150 PolarHBondContact O-N 3.39Å; H146-F242 HydrophobicContact CB-CE1 3.83Å; H146-F242 HydrophobicContact CB-CZ 3.64Å; H146-F242 AromaticContact CD2-CE1 3.33Å; H146-F242 WeakPolarHBondContact CD2-CE1 3.25Å; H146-F242 AromaticContact CD2-CZ 3.42Å; H146-F242 VanDerWaalsContact CD2-CZ 3.42Å; H146-F242 WeakPolarHBondContact CD2-CZ 3.39Å; H146-F242 AromaticContact CG-CE1 3.9Å; H146-F242 AromaticContact CG-CZ 3.91Å |
| 147 | H | 91 | Very high | 89 | Confident | 11 Ų | 11 | 36.6 Ų | 36.6 | 5% | 0.051 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.9 | -42.3 | -177.7 | -75.4 | -73.7 | 0 | 0 | 0 | 111.1 | Y42 E123 F124 H143 | Y42-H147 HydrophobicContact CE1-CB 4.2Å; E123-H147 IonicContact OE2-CE1 3.77Å; F124-H147 HydrophobicContact CD1-CB 4.07Å; F124-H147 HydrophobicContact CE1-CB 3.92Å; F124-H147 WeakPolarHBondContact CE1-O 3.38Å; H143-H147 AromaticContact CD2-CD2 3.81Å; H143-H147 AromaticContact CE1-CD2 3.21Å; H143-H147 PolarHBondContact CE1-CD2 3.47Å; H143-H147 AromaticContact CE1-NE2 3.1Å; H143-H147 PolarHBondContact CE1-NE2 2.72Å; H143-H147 AromaticContact CG-CD2 3.94Å; H143-H147 AromaticContact ND1-CD2 3.61Å; H143-H147 AromaticContact ND1-NE2 3.59Å; H143-H147 AromaticContact NE2-CD2 3.36Å; H143-H147 PolarHBondContact NE2-CD2 2.92Å; H143-H147 AromaticContact NE2-NE2 3.71Å; H143-H147 PolarHBondContact O-CD2 3.29Å; H143-H147 PolarHBondContact O-N 3.34Å |
| 148 | A | 91.5 | Very high | 89.3 | Confident | 15 Ų | 15 | 30 Ų | 30 | 12% | 0.124 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.9 | -41.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | T39 Y42 L43 V144 Y145 H146 N152 | T39-A148 HydrophobicContact CG2-CB 4.11Å; Y42-A148 HydrophobicContact CD1-CB 4.41Å; Y42-A148 HydrophobicContact CE1-CB 4.33Å; L43-A148 HydrophobicContact CD2-CB 4.13Å; V144-A148 WeakPolarHBondContact O-CB 3.15Å; V144-A148 PolarHBondContact O-N 2.81Å; Y145-A148 PolarHBondContact O-N 3.42Å; H146-A148 PolarHBondContact O-N 3.14Å; A148-N152 PolarHBondContact O-ND2 2.78Å |
| 149 | S | 91.1 | Very high | 89.4 | Confident | 21 Ų | 21 | 27.5 Ų | 27.5 | 15% | 0.147 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -75.2 | -41.7 | -178.2 | 63.9 | 0 | 0 | 0 | 0 | 112.7 | Y145 H146 L151 N152 I153 Y238 | Y145-S149 VanDerWaalsContact O-CB 3.31Å; Y145-S149 WeakPolarHBondContact O-CB 3.44Å; Y145-S149 PolarHBondContact O-N 3.37Å; Y145-S149 PolarHBondContact O-OG 3.16Å; H146-S149 PolarHBondContact O-N 3.4Å; H146-S149 PolarHBondContact O-OG 3.22Å; S149-L151 PolarHBondContact O-N 2.91Å; S149-N152 PolarHBondContact O-N 3.5Å; S149-I153 WeakPolarHBondContact O-CG1 3.45Å; S149-I153 PolarHBondContact O-N 2.97Å; S149-Y238 PolarHBondContact OG-OH 3.39Å |
| 150 | M | 90.4 | Very high | 89.1 | Confident | 12 Ų | 12 | 27.3 Ų | 27.3 | 6% | 0.059 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.9 | -43.7 | -173.4 | -78.2 | -65.3 | -130.7 | 0 | 0 | 112.7 | H146 N152 I153 W154 Y238 | H146-M150 VanDerWaalsContact CD2-CG 3.46Å; H146-M150 WeakPolarHBondContact CD2-CG 3.35Å; H146-M150 VanDerWaalsContact NE2-CE 3.35Å; H146-M150 WeakPolarHBondContact NE2-CE 3.25Å; H146-M150 WeakPolarHBondContact NE2-CG 3.48Å; H146-M150 VanDerWaalsContact O-CB 3.22Å; H146-M150 WeakPolarHBondContact O-CB 3.48Å; H146-M150 WeakPolarHBondContact O-CG 3.39Å; H146-M150 PolarHBondContact O-N 3.39Å; M150-N152 VanDerWaalsContact C-N 3.33Å; M150-N152 PolarHBondContact O-N 3.14Å; M150-I153 PolarHBondContact O-N 3.07Å; M150-W154 WeakPolarHBondContact O-CB 3.41Å; M150-W154 VanDerWaalsContact O-CD1 3.3Å; M150-W154 PolarHBondContact O-N 3.29Å; M150-Y238 WeakPolarHBondContact CG-OH 3.31Å; M150-Y238 HydrophobicContact SD-CE1 3.89Å; M150-Y238 PolarHBondContact SD-OH 3.06Å |
| 151 | L | 91.5 | Very high | 88.9 | Confident | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.5 | -42.8 | 179.9 | -175 | 69.4 | 0 | 0 | 0 | 111.6 | T35 L38 Y117 K120 L121 F124 S149 W155 | T35-L151 HydrophobicContact CG2-CD2 4.06Å; T35-L151 HydrophobicContact CG2-CG 3.81Å; L38-L151 HydrophobicContact CB-CD2 4.4Å; Y117-L151 HydrophobicContact CD2-CD1 4.04Å; Y117-L151 HydrophobicContact CE2-CD1 3.53Å; Y117-L151 HydrophobicContact CE2-CG 4.23Å; Y117-L151 WeakPolarHBondContact CE2-O 3.37Å; K120-L151 HydrophobicContact CB-CD1 4.17Å; L121-L151 HydrophobicContact CB-CD1 4.21Å; L121-L151 HydrophobicContact CD1-CD2 4.3Å; F124-L151 HydrophobicContact CE1-CB 4.42Å; F124-L151 HydrophobicContact CE2-CD2 3.61Å; F124-L151 HydrophobicContact CZ-CB 3.91Å; F124-L151 HydrophobicContact CZ-CD2 3.54Å; F124-L151 HydrophobicContact CZ-CG 4.31Å; S149-L151 PolarHBondContact O-N 2.91Å; L151-W155 PolarHBondContact O-N 3.1Å |
| 152 | N | 90.6 | Very high | 88.4 | Confident | 21 Ų | 21 | 18.3 Ų | 18.3 | 11% | 0.112 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -70.1 | -45.1 | -179.8 | -72.7 | -82.2 | 0 | 0 | 0 | 112 | Y32 T39 A148 S149 M150 W154 W155 F156 | Y32-N152 PolarHBondContact OH-OD1 2.88Å; T39-N152 WeakPolarHBondContact CG2-ND2 3.28Å; T39-N152 PolarHBondContact OG1-ND2 3.29Å; A148-N152 PolarHBondContact O-ND2 2.78Å; S149-N152 PolarHBondContact O-N 3.5Å; M150-N152 VanDerWaalsContact C-N 3.33Å; M150-N152 PolarHBondContact O-N 3.14Å; N152-W154 VanDerWaalsContact C-N 3.32Å; N152-W154 PolarHBondContact O-N 3.14Å; N152-W155 WeakPolarHBondContact O-CB 3.46Å; N152-W155 PolarHBondContact O-N 3.39Å; N152-F156 WeakPolarHBondContact O-CD2 3.32Å; N152-F156 PolarHBondContact O-N 3.18Å |
| 153 | I | 90.2 | Very high | 87.9 | Confident | 20 Ų | 20 | 17.3 Ų | 17.3 | 10% | 0.103 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -60.9 | -44.9 | 179 | -70.3 | 167.7 | 0 | 0 | 0 | 110.2 | S149 M150 W155 F156 V157 F234 Y238 | S149-I153 WeakPolarHBondContact O-CG1 3.45Å; S149-I153 PolarHBondContact O-N 2.97Å; M150-I153 PolarHBondContact O-N 3.07Å; I153-W155 VanDerWaalsContact C-N 3.3Å; I153-W155 PolarHBondContact O-N 3.43Å; I153-F156 WeakPolarHBondContact O-CB 3.39Å; I153-F156 PolarHBondContact O-N 2.88Å; I153-F156 VanDerWaalsContact O-N 3.14Å; I153-V157 HydrophobicContact CG2-CG2 4.21Å; I153-V157 WeakPolarHBondContact O-CG2 3.24Å; I153-V157 PolarHBondContact O-N 3.45Å; I153-F234 HydrophobicContact CD1-CE1 4.41Å; I153-F234 HydrophobicContact CD1-CZ 4.24Å; I153-F234 HydrophobicContact CG1-CE1 4.2Å; I153-F234 HydrophobicContact CG1-CZ 4.05Å; I153-F234 HydrophobicContact CG2-CE1 3.97Å; I153-Y238 HydrophobicContact CD1-CD1 4.12Å; I153-Y238 HydrophobicContact CD1-CD2 3.56Å; I153-Y238 HydrophobicContact CD1-CE1 3.84Å; I153-Y238 HydrophobicContact CD1-CE2 3.21Å; I153-Y238 HydrophobicContact CD1-CG 3.99Å |
| 154 | W | 90.1 | Very high | 87.5 | Confident | 22 Ų | 22 | 16 Ų | 16 | 8% | 0.083 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -68 | -28.6 | -179.6 | -86.8 | 93.1 | 0 | 0 | 0 | 113.7 | L113 Y116 Y117 M150 N152 F156 V157 M158 A170 | L113-W154 HydrophobicContact CB-CZ3 4.45Å; L113-W154 HydrophobicContact CD2-CH2 3.89Å; L113-W154 HydrophobicContact CD2-CZ3 3.86Å; Y116-W154 AromaticContact CD1-CD2 3.71Å; Y116-W154 HydrophobicContact CD1-CD2 3.71Å; Y116-W154 AromaticContact CD1-CE2 3.64Å; Y116-W154 AromaticContact CD1-CE3 3.92Å; Y116-W154 HydrophobicContact CD1-CE3 3.92Å; Y116-W154 HydrophobicContact CD1-CG 4.33Å; Y116-W154 AromaticContact CD1-CH2 3.98Å; Y116-W154 HydrophobicContact CD1-CH2 3.98Å; Y116-W154 AromaticContact CD1-CZ2 3.75Å; Y116-W154 HydrophobicContact CD1-CZ2 3.75Å; Y116-W154 HydrophobicContact CD1-CZ3 4.05Å; Y116-W154 AromaticContact CE1-CD1 3.92Å; Y116-W154 AromaticContact CE1-CD2 3.67Å; Y116-W154 HydrophobicContact CE1-CD2 3.67Å; Y116-W154 AromaticContact CE1-CE2 3.17Å; Y116-W154 HydrophobicContact CE1-CE3 4.31Å; Y116-W154 HydrophobicContact CE1-CG 4.12Å; Y116-W154 HydrophobicContact CE1-CH2 4.09Å; Y116-W154 AromaticContact CE1-CZ2 3.39Å; Y116-W154 HydrophobicContact CE1-CZ2 3.39Å; Y116-W154 HydrophobicContact CE1-CZ3 4.5Å; Y116-W154 AromaticContact CE1-NE1 3.36Å; Y117-W154 HydrophobicContact CD2-CB 3.89Å; M150-W154 WeakPolarHBondContact O-CB 3.41Å; M150-W154 VanDerWaalsContact O-CD1 3.3Å; M150-W154 PolarHBondContact O-N 3.29Å; N152-W154 VanDerWaalsContact C-N 3.32Å; N152-W154 PolarHBondContact O-N 3.14Å; W154-F156 VanDerWaalsContact C-N 3.33Å; W154-F156 PolarHBondContact O-N 3.37Å; W154-V157 HydrophobicContact CE3-CB 4.17Å; W154-V157 HydrophobicContact CE3-CG1 3.93Å; W154-V157 HydrophobicContact CH2-CG1 4.35Å; W154-V157 HydrophobicContact CZ3-CB 4.49Å; W154-V157 HydrophobicContact CZ3-CG1 3.76Å; W154-V157 PolarHBondContact O-N 3.49Å; W154-M158 HydrophobicContact CE3-CG 4.45Å; W154-M158 WeakPolarHBondContact O-CB 3.39Å; W154-M158 VanDerWaalsContact O-CG 3.25Å; W154-M158 WeakPolarHBondContact O-CG 3.46Å; W154-M158 PolarHBondContact O-N 3.25Å; W154-A170 HydrophobicContact CH2-CB 3.75Å; W154-A170 HydrophobicContact CZ2-CB 4.06Å |
| 155 | W | 90.5 | Very high | 86.8 | Confident | 1 Ų | 1 | 15.2 Ų | 15.2 | 0% | 0.004 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -61.1 | -43.5 | 170.5 | -174.5 | 91.2 | 0 | 0 | 0 | 111.8 | F12 L28 L29 N31 Y32 T35 Y117 L151 N152 I153 N159 W160 | F12-W155 HydrophobicContact CD2-CH2 4.48Å; L28-W155 VanDerWaalsContact O-CD1 3.25Å; L28-W155 PolarHBondContact O-NE1 3.34Å; L28-W155 VanDerWaalsContact O-NE1 3.14Å; L29-W155 WeakPolarHBondContact O-CZ2 3.27Å; L29-W155 PolarHBondContact O-NE1 3.45Å; N31-W155 PolarHBondContact O-NE1 3.46Å; Y32-W155 AromaticContact CD2-CD2 3.62Å; Y32-W155 HydrophobicContact CD2-CD2 3.62Å; Y32-W155 AromaticContact CD2-CE3 3.48Å; Y32-W155 HydrophobicContact CD2-CE3 3.48Å; Y32-W155 VanDerWaalsContact CD2-CE3 3.48Å; Y32-W155 HydrophobicContact CD2-CG 4.19Å; Y32-W155 HydrophobicContact CD2-CH2 4.3Å; Y32-W155 HydrophobicContact CD2-CZ2 4.39Å; Y32-W155 AromaticContact CD2-CZ3 3.83Å; Y32-W155 HydrophobicContact CD2-CZ3 3.83Å; Y32-W155 HydrophobicContact CE2-CD2 4.43Å; Y32-W155 HydrophobicContact CE2-CE3 4.19Å; Y32-W155 HydrophobicContact CG-CD2 4.49Å; Y32-W155 HydrophobicContact CG-CE3 4.26Å; Y32-W155 HydrophobicContact CG-CH2 4.32Å; Y32-W155 HydrophobicContact CG-CZ3 4.16Å; T35-W155 HydrophobicContact CG2-CB 4.09Å; T35-W155 HydrophobicContact CG2-CG 4.33Å; T35-W155 VanDerWaalsContact OG1-CD1 3.25Å; Y117-W155 HydrophobicContact CE2-CB 3.98Å; L151-W155 PolarHBondContact O-N 3.1Å; N152-W155 WeakPolarHBondContact O-CB 3.46Å; N152-W155 PolarHBondContact O-N 3.39Å; I153-W155 VanDerWaalsContact C-N 3.3Å; I153-W155 PolarHBondContact O-N 3.43Å; W155-N159 WeakPolarHBondContact CZ2-ND2 3.21Å; W155-N159 PolarHBondContact O-N 3.25Å; W155-N159 VanDerWaalsContact O-N 3.14Å; W155-N159 PolarHBondContact O-ND2 3.25Å; W155-W160 HydrophobicContact CE3-CZ3 4.48Å; W155-W160 HydrophobicContact CH2-CZ3 4.31Å; W155-W160 HydrophobicContact CZ3-CH2 4.23Å; W155-W160 AromaticContact CZ3-CZ3 3.76Å; W155-W160 HydrophobicContact CZ3-CZ3 3.76Å |
| 156 | F | 87.9 | Confident | 86.4 | Confident | 38 Ų | 38 | 12.5 Ų | 12.5 | 17% | 0.167 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -67.8 | -43.5 | 175.4 | -71.3 | -65.3 | 0 | 0 | 0 | 112 | F12 M16 Y32 N152 I153 W154 M158 N159 W160 W231 | F12-F156 HydrophobicContact CD1-CE1 4.11Å; F12-F156 AromaticContact CE1-CE1 3.89Å; F12-F156 HydrophobicContact CE1-CE1 3.89Å; F12-F156 HydrophobicContact CE1-CZ 4.04Å; F12-F156 HydrophobicContact CE2-CE1 4.49Å; F12-F156 HydrophobicContact CZ-CE1 4.09Å; F12-F156 HydrophobicContact CZ-CZ 4.07Å; M16-F156 HydrophobicContact CE-CD1 3.36Å; M16-F156 HydrophobicContact CE-CE1 3.6Å; M16-F156 HydrophobicContact CE-CG 4.43Å; M16-F156 HydrophobicContact SD-CD1 4.43Å; Y32-F156 HydrophobicContact CD2-CZ 4.38Å; Y32-F156 HydrophobicContact CE2-CE2 4.01Å; Y32-F156 HydrophobicContact CE2-CZ 4.01Å; N152-F156 WeakPolarHBondContact O-CD2 3.32Å; N152-F156 PolarHBondContact O-N 3.18Å; I153-F156 WeakPolarHBondContact O-CB 3.39Å; I153-F156 PolarHBondContact O-N 2.88Å; I153-F156 VanDerWaalsContact O-N 3.14Å; W154-F156 VanDerWaalsContact C-N 3.33Å; W154-F156 PolarHBondContact O-N 3.37Å; F156-M158 VanDerWaalsContact C-N 3.32Å; F156-M158 PolarHBondContact O-N 3.01Å; F156-N159 PolarHBondContact O-N 2.63Å; F156-W160 HydrophobicContact CD1-CE3 4.23Å; F156-W160 HydrophobicContact CD1-CH2 4.45Å; F156-W160 AromaticContact CD1-CZ3 3.7Å; F156-W160 HydrophobicContact CD1-CZ3 3.7Å; F156-W160 HydrophobicContact CE1-CZ3 4.37Å; F156-W160 PolarHBondContact O-N 2.86Å; F156-W160 VanDerWaalsContact O-N 3.16Å; F156-W231 HydrophobicContact CB-CH2 3.83Å; F156-W231 HydrophobicContact CB-CZ3 4.16Å |
| 157 | V | 88 | Confident | 86.2 | Confident | 10 Ų | 10 | 11.9 Ų | 11.9 | 6% | 0.061 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -58.5 | -45.8 | 176.5 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | I153 W154 N159 W160 I161 | I153-V157 HydrophobicContact CG2-CG2 4.21Å; I153-V157 WeakPolarHBondContact O-CG2 3.24Å; I153-V157 PolarHBondContact O-N 3.45Å; W154-V157 HydrophobicContact CE3-CB 4.17Å; W154-V157 HydrophobicContact CE3-CG1 3.93Å; W154-V157 HydrophobicContact CH2-CG1 4.35Å; W154-V157 HydrophobicContact CZ3-CB 4.49Å; W154-V157 HydrophobicContact CZ3-CG1 3.76Å; W154-V157 PolarHBondContact O-N 3.49Å; V157-N159 VanDerWaalsContact C-N 3.34Å; V157-N159 PolarHBondContact O-N 3.43Å; V157-W160 PolarHBondContact O-N 3.23Å; V157-I161 HydrophobicContact CB-CG1 4.36Å; V157-I161 HydrophobicContact CG1-CD1 4.2Å; V157-I161 HydrophobicContact CG1-CG1 4.05Å; V157-I161 HydrophobicContact CG2-CD1 4.29Å; V157-I161 CarbonylContact O-C 3.57Å; V157-I161 WeakPolarHBondContact O-CA 3.41Å; V157-I161 WeakPolarHBondContact O-CG1 3.35Å; V157-I161 PolarHBondContact O-N 3.29Å |
| 158 | M | 87.6 | Confident | 86 | Confident | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -65.1 | -34.5 | 178.9 | -72.8 | -58.3 | -62.2 | 0 | 0 | 113.3 | V23 L29 I110 L113 W114 W154 F156 P162 | V23-M158 HydrophobicContact CG1-CE 4.14Å; V23-M158 WeakPolarHBondContact CG1-O 3.35Å; V23-M158 WeakPolarHBondContact CG2-O 3.41Å; L29-M158 HydrophobicContact CD1-CB 3.83Å; L29-M158 HydrophobicContact CD1-CE 4Å; L29-M158 HydrophobicContact CD1-CG 4.37Å; L29-M158 HydrophobicContact CD2-CB 3.71Å; L29-M158 HydrophobicContact CD2-CG 4.3Å; L29-M158 HydrophobicContact CG-CB 4.48Å; I110-M158 HydrophobicContact CG2-CE 4.32Å; L113-M158 HydrophobicContact CB-CE 4.23Å; L113-M158 HydrophobicContact CB-SD 3.54Å; L113-M158 VanDerWaalsContact CB-SD 3.54Å; W114-M158 HydrophobicContact CB-CE 3.91Å; W154-M158 HydrophobicContact CE3-CG 4.45Å; W154-M158 WeakPolarHBondContact O-CB 3.39Å; W154-M158 VanDerWaalsContact O-CG 3.25Å; W154-M158 WeakPolarHBondContact O-CG 3.46Å; W154-M158 PolarHBondContact O-N 3.25Å; F156-M158 VanDerWaalsContact C-N 3.32Å; F156-M158 PolarHBondContact O-N 3.01Å; M158-P162 HydrophobicContact CE-CB 4.17Å; M158-P162 VanDerWaalsContact O-CB 3.32Å; M158-P162 WeakPolarHBondContact O-CB 3.49Å; M158-P162 HydrophobicContact SD-CB 4.32Å |
| 159 | N | 85.1 | Confident | 85.8 | Confident | 4 Ų | 4 | 13.1 Ų | 13.1 | 2% | 0.021 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -77.9 | -27.4 | -178 | -86.8 | -84 | 0 | 0 | 0 | 113.9 | R19 D20 L29 W155 F156 V157 | R19-N159 WeakPolarHBondContact CA-O 3.39Å; R19-N159 WeakPolarHBondContact CD-OD1 3.45Å; R19-N159 HydrophobicContact CG-CB 4.35Å; D20-N159 PolarHBondContact N-O 2.99Å; L29-N159 PolarHBondContact O-ND2 3.46Å; L29-N159 PolarHBondContact O-OD1 3.45Å; W155-N159 WeakPolarHBondContact CZ2-ND2 3.21Å; W155-N159 PolarHBondContact O-N 3.25Å; W155-N159 VanDerWaalsContact O-N 3.14Å; W155-N159 PolarHBondContact O-ND2 3.25Å; F156-N159 PolarHBondContact O-N 2.63Å; V157-N159 VanDerWaalsContact C-N 3.34Å; V157-N159 PolarHBondContact O-N 3.43Å |
| 160 | W | 83 | Confident | 85.7 | Confident | 27 Ų | 27 | 12.1 Ų | 12.1 | 10% | 0.102 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -116.4 | -31.1 | -175.2 | -80.2 | -87.9 | 0 | 0 | 0 | 115 | F12 M16 G17 R19 W155 F156 V157 W231 | F12-W160 HydrophobicContact CB-CH2 3.64Å; F12-W160 HydrophobicContact CB-CZ2 3.87Å; F12-W160 HydrophobicContact CG-CH2 4.34Å; M16-W160 HydrophobicContact CB-CD2 4.14Å; M16-W160 VanDerWaalsContact CB-CE2 3.49Å; M16-W160 HydrophobicContact CB-CG 4.38Å; M16-W160 HydrophobicContact CB-CZ2 3.87Å; M16-W160 VanDerWaalsContact CB-NE1 3.34Å; M16-W160 HydrophobicContact CE-CD2 3.92Å; M16-W160 HydrophobicContact CE-CE3 3.68Å; M16-W160 HydrophobicContact CE-CH2 3.32Å; M16-W160 HydrophobicContact CE-CZ2 3.52Å; M16-W160 HydrophobicContact CE-CZ3 3.41Å; M16-W160 VanDerWaalsContact CE-CZ3 3.41Å; M16-W160 PolarHBondContact O-NE1 2.64Å; M16-W160 HydrophobicContact SD-CD2 4.48Å; G17-W160 PolarHBondContact O-NE1 3.05Å; R19-W160 HydrophobicContact CG-CH2 4.12Å; R19-W160 HydrophobicContact CG-CZ2 3.84Å; W155-W160 HydrophobicContact CE3-CZ3 4.48Å; W155-W160 HydrophobicContact CH2-CZ3 4.31Å; W155-W160 HydrophobicContact CZ3-CH2 4.23Å; W155-W160 AromaticContact CZ3-CZ3 3.76Å; W155-W160 HydrophobicContact CZ3-CZ3 3.76Å; F156-W160 HydrophobicContact CD1-CE3 4.23Å; F156-W160 HydrophobicContact CD1-CH2 4.45Å; F156-W160 AromaticContact CD1-CZ3 3.7Å; F156-W160 HydrophobicContact CD1-CZ3 3.7Å; F156-W160 HydrophobicContact CE1-CZ3 4.37Å; F156-W160 PolarHBondContact O-N 2.86Å; F156-W160 VanDerWaalsContact O-N 3.16Å; V157-W160 PolarHBondContact O-N 3.23Å; W160-W231 HydrophobicContact CB-CZ2 3.7Å; W160-W231 HydrophobicContact CD2-CZ2 4.32Å; W160-W231 AromaticContact CG-CZ2 3.96Å; W160-W231 HydrophobicContact CG-CZ2 3.96Å |
| 161 | I | 82.8 | Confident | 85.8 | Confident | 8 Ų | 8 | 12.3 Ų | 12.3 | 4% | 0.041 | 6% | 0.064 | C | C | . | . | trans | -141.7 | 59 | -174.4 | 47.3 | 162 | 0 | 0 | 0 | 111.4 | V157 C163 S166 F227 P228 W231 | V157-I161 HydrophobicContact CB-CG1 4.36Å; V157-I161 HydrophobicContact CG1-CD1 4.2Å; V157-I161 HydrophobicContact CG1-CG1 4.05Å; V157-I161 HydrophobicContact CG2-CD1 4.29Å; V157-I161 CarbonylContact O-C 3.57Å; V157-I161 WeakPolarHBondContact O-CA 3.41Å; V157-I161 WeakPolarHBondContact O-CG1 3.35Å; V157-I161 PolarHBondContact O-N 3.29Å; I161-C163 PolarHBondContact O-N 3.49Å; I161-S166 PolarHBondContact O-OG 3.04Å; I161-F227 HydrophobicContact CB-CE2 4.16Å; I161-F227 HydrophobicContact CB-CZ 3.96Å; I161-F227 HydrophobicContact CD1-CE1 4.28Å; I161-F227 HydrophobicContact CD1-CZ 3.65Å; I161-F227 HydrophobicContact CG1-CZ 4.4Å; I161-F227 HydrophobicContact CG2-CE2 4.06Å; I161-F227 HydrophobicContact CG2-CZ 3.86Å; I161-P228 HydrophobicContact CG2-CG 4.21Å; I161-W231 HydrophobicContact CD1-CB 3.77Å; I161-W231 HydrophobicContact CD1-CD2 3.73Å; I161-W231 HydrophobicContact CD1-CE3 3.96Å; I161-W231 HydrophobicContact CD1-CG 3.64Å; I161-W231 HydrophobicContact CG1-CD2 4.23Å; I161-W231 HydrophobicContact CG1-CG 4.32Å; I161-W231 HydrophobicContact CG2-CG 4.35Å | ||
| 162 | P | 78.5 | Confident | 85.8 | Confident | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.073 | C | C | . | . | S | Bend | trans | -77.4 | 15.8 | -174 | 35.2 | -38.1 | 0 | 0 | 0 | 114.2 | D20 V23 I110 L113 M158 | D20-P162 HydrophobicContact CB-CG 3.85Å; D20-P162 WeakPolarHBondContact OD2-CD 3.14Å; D20-P162 VanDerWaalsContact OD2-CG 3.27Å; D20-P162 WeakPolarHBondContact OD2-CG 3.45Å; V23-P162 HydrophobicContact CG1-CB 3.74Å; V23-P162 HydrophobicContact CG1-CG 3.87Å; I110-P162 HydrophobicContact CD1-CG 4.31Å; I110-P162 HydrophobicContact CG1-CB 3.93Å; I110-P162 HydrophobicContact CG1-CG 4.11Å; I110-P162 WeakPolarHBondContact CG1-O 3.36Å; I110-P162 HydrophobicContact CG2-CB 4.24Å; L113-P162 WeakPolarHBondContact CD1-O 3.29Å; M158-P162 HydrophobicContact CE-CB 4.17Å; M158-P162 VanDerWaalsContact O-CB 3.32Å; M158-P162 WeakPolarHBondContact O-CB 3.49Å; M158-P162 HydrophobicContact SD-CB 4.32Å |
| 163 | C | 75.6 | Confident | 85.9 | Confident | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.069 | C | C | . | . | S | Bend | trans | -159.8 | -170.2 | 178.8 | 59.4 | 0 | 0 | 0 | 0 | 110.4 | R22 T99 D106 I110 I161 | R22-C163 PolarHBondContact NH2-SG 3.32Å; T99-C163 WeakPolarHBondContact CA-SG 3.34Å; T99-C163 VanDerWaalsContact CB-SG 3.54Å; T99-C163 PolarHBondContact O-SG 2.76Å; D106-C163 HydrophobicContact CB-CB 4.47Å; I110-C163 HydrophobicContact CG1-CB 4.22Å; I161-C163 PolarHBondContact O-N 3.49Å |
| 164 | G | 79.6 | Confident | 86.1 | Confident | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.3 | -142.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q97 S166 Y167 | Q97-G164 WeakPolarHBondContact O-CA 3.22Å; G164-S166 PolarHBondContact O-N 2.75Å; G164-Y167 VanDerWaalsContact O-CD1 3.23Å; G164-Y167 WeakPolarHBondContact O-CD1 3.34Å; G164-Y167 PolarHBondContact O-N 2.89Å; G164-Y167 VanDerWaalsContact O-N 3.08Å |
| 165 | H | 78.3 | Confident | 86.3 | Confident | 11 Ų | 11 | 16 Ų | 16 | 5% | 0.051 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.1 | -29.7 | -171.1 | -161.1 | 76.6 | 0 | 0 | 0 | 116.5 | Q97 Y167 F168 Q216 T217 F227 | Q97-H165 PolarHBondContact O-N 2.98Å; H165-Y167 PolarHBondContact O-N 2.91Å; H165-F168 PolarHBondContact O-N 3.15Å; H165-Q216 PolarHBondContact CE1-NE2 2.91Å; H165-Q216 PolarHBondContact CE1-O 2.86Å; H165-Q216 PolarHBondContact CE1-OE1 3.13Å; H165-Q216 PolarHBondContact NE2-OE1 3.33Å; H165-Q216 VanDerWaalsContact NE2-OE1 3.16Å; H165-T217 VanDerWaalsContact NE2-CA 3.31Å; H165-T217 WeakPolarHBondContact NE2-CA 3.2Å; H165-T217 PolarHBondContact NE2-OG1 3Å; H165-F227 HydrophobicContact CB-CD2 4.08Å; H165-F227 HydrophobicContact CB-CE2 3.98Å; H165-F227 HydrophobicContact CB-CG 4.4Å; H165-F227 HydrophobicContact CB-CZ 4.19Å |
| 166 | S | 80.6 | Confident | 86.5 | Confident | 19 Ų | 19 | 16.1 Ų | 16.1 | 13% | 0.133 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -58.5 | -25.9 | 179.1 | -54 | 0 | 0 | 0 | 0 | 114.2 | I161 G164 F168 | I161-S166 PolarHBondContact O-OG 3.04Å; G164-S166 PolarHBondContact O-N 2.75Å; S166-F168 VanDerWaalsContact C-N 3.34Å; S166-F168 PolarHBondContact O-N 3.39Å |
| 167 | Y | 85.3 | Confident | 86.8 | Confident | 8 Ų | 8 | 14.8 Ų | 14.8 | 3% | 0.031 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -62.5 | -38.7 | -177.1 | 91.4 | -85.2 | 0 | 0 | 0 | 112.4 | A87 Y92 G164 H165 G169 A170 S171 | A87-Y167 HydrophobicContact CB-CD2 4.03Å; A87-Y167 HydrophobicContact CB-CE2 3.55Å; Y92-Y167 AromaticContact CD1-CD1 3.79Å; Y92-Y167 HydrophobicContact CD1-CD1 3.79Å; Y92-Y167 AromaticContact CD1-CE1 3.69Å; Y92-Y167 HydrophobicContact CD1-CE1 3.69Å; Y92-Y167 HydrophobicContact CD1-CG 4.33Å; Y92-Y167 HydrophobicContact CE1-CD1 4.03Å; Y92-Y167 HydrophobicContact CE1-CE1 4.38Å; Y92-Y167 HydrophobicContact CE1-CG 4.44Å; G164-Y167 VanDerWaalsContact O-CD1 3.23Å; G164-Y167 WeakPolarHBondContact O-CD1 3.34Å; G164-Y167 PolarHBondContact O-N 2.89Å; G164-Y167 VanDerWaalsContact O-N 3.08Å; H165-Y167 PolarHBondContact O-N 2.91Å; Y167-G169 PolarHBondContact O-N 3Å; Y167-A170 PolarHBondContact O-N 3.15Å; Y167-S171 WeakPolarHBondContact O-CB 3.41Å; Y167-S171 PolarHBondContact O-N 3.14Å; Y167-S171 PolarHBondContact O-OG 3.2Å |
| 168 | F | 86.9 | Confident | 87.1 | Confident | 39 Ų | 39 | 15.5 Ų | 15.5 | 17% | 0.171 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -66.4 | -45 | -169.8 | -179.1 | -98.4 | 0 | 0 | 0 | 112.1 | H165 S166 A170 S171 L172 L212 Q216 | H165-F168 PolarHBondContact O-N 3.15Å; S166-F168 VanDerWaalsContact C-N 3.34Å; S166-F168 PolarHBondContact O-N 3.39Å; F168-A170 VanDerWaalsContact C-N 3.33Å; F168-A170 PolarHBondContact O-N 2.67Å; F168-S171 PolarHBondContact O-N 3.44Å; F168-L172 HydrophobicContact CD1-CD1 4.02Å; F168-L172 HydrophobicContact CE1-CD1 3.39Å; F168-L172 HydrophobicContact CE1-CG 4.27Å; F168-L172 HydrophobicContact CE2-CD1 4.36Å; F168-L172 HydrophobicContact CZ-CD1 3.6Å; F168-L172 HydrophobicContact CZ-CG 4.27Å; F168-L172 PolarHBondContact O-N 3.32Å; F168-L212 HydrophobicContact CE1-CB 4.5Å; F168-Q216 VanDerWaalsContact CB-NE2 3.3Å; F168-Q216 VanDerWaalsContact CB-OE1 3.3Å; F168-Q216 HydrophobicContact CD1-CB 4Å; F168-Q216 HydrophobicContact CD1-CG 3.95Å; F168-Q216 HydrophobicContact CE1-CB 3.78Å; F168-Q216 HydrophobicContact CE1-CG 4.03Å; F168-Q216 HydrophobicContact CG-CG 4.25Å; F168-Q216 VanDerWaalsContact CG-OE1 3.27Å; F168-Q216 HydrophobicContact CZ-CB 4.42Å; F168-Q216 HydrophobicContact CZ-CG 4.45Å |
| 169 | G | 87.8 | Confident | 87.4 | Confident | 14 Ų | 14 | 18 Ų | 18 | 14% | 0.144 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -62 | -40.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y167 N173 | Y167-G169 PolarHBondContact O-N 3Å; G169-N173 VanDerWaalsContact O-CB 3.25Å; G169-N173 WeakPolarHBondContact O-CB 3.26Å; G169-N173 PolarHBondContact O-N 3.12Å |
| 170 | A | 90.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -66.5 | -41 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L83 L113 Y116 W154 Y167 F168 N173 S174 | L83-A170 HydrophobicContact CD1-CB 3.95Å; L113-A170 HydrophobicContact CD2-CB 3.46Å; L113-A170 VanDerWaalsContact CD2-CB 3.46Å; Y116-A170 HydrophobicContact CD1-CB 4.37Å; Y116-A170 HydrophobicContact CD2-CB 3.97Å; Y116-A170 HydrophobicContact CE1-CB 4.5Å; Y116-A170 HydrophobicContact CE2-CB 4.04Å; Y116-A170 HydrophobicContact CG-CB 4.12Å; W154-A170 HydrophobicContact CH2-CB 3.75Å; W154-A170 HydrophobicContact CZ2-CB 4.06Å; Y167-A170 PolarHBondContact O-N 3.15Å; F168-A170 VanDerWaalsContact C-N 3.33Å; F168-A170 PolarHBondContact O-N 2.67Å; A170-N173 PolarHBondContact O-N 3.5Å; A170-S174 VanDerWaalsContact O-CB 3.28Å; A170-S174 WeakPolarHBondContact O-CB 3.33Å; A170-S174 PolarHBondContact O-N 3Å; A170-S174 PolarHBondContact O-OG 2.83Å |
| 171 | S | 91.4 | Very high | 88.3 | Confident | 15 Ų | 15 | 17.4 Ų | 17.4 | 11% | 0.105 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -60.9 | -51.6 | 176.4 | -63.7 | 0 | 0 | 0 | 0 | 111.5 | L83 Y167 F168 N173 S174 F175 | L83-S171 WeakPolarHBondContact CB-OG 3.33Å; Y167-S171 WeakPolarHBondContact O-CB 3.41Å; Y167-S171 PolarHBondContact O-N 3.14Å; Y167-S171 PolarHBondContact O-OG 3.2Å; F168-S171 PolarHBondContact O-N 3.44Å; S171-N173 PolarHBondContact O-N 3.26Å; S171-S174 PolarHBondContact O-N 3.36Å; S171-F175 PolarHBondContact O-N 3.45Å |
| 172 | L | 92 | Very high | 88.7 | Confident | 38 Ų | 38 | 19.2 Ų | 19.2 | 20% | 0.199 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.7 | -41.6 | 178.8 | -70.2 | -179.3 | 0 | 0 | 0 | 111.7 | F168 S174 F175 V176 Q209 L212 | F168-L172 HydrophobicContact CD1-CD1 4.02Å; F168-L172 HydrophobicContact CE1-CD1 3.39Å; F168-L172 HydrophobicContact CE1-CG 4.27Å; F168-L172 HydrophobicContact CE2-CD1 4.36Å; F168-L172 HydrophobicContact CZ-CD1 3.6Å; F168-L172 HydrophobicContact CZ-CG 4.27Å; F168-L172 PolarHBondContact O-N 3.32Å; L172-S174 VanDerWaalsContact C-N 3.34Å; L172-S174 PolarHBondContact O-N 3.33Å; L172-F175 PolarHBondContact O-N 3.21Å; L172-V176 WeakPolarHBondContact O-CG2 3.39Å; L172-V176 PolarHBondContact O-N 3.46Å; L172-Q209 HydrophobicContact CB-CG 3.94Å; L172-L212 HydrophobicContact CD1-CB 3.89Å; L172-L212 HydrophobicContact CD1-CD1 4.28Å |
| 173 | N | 93.4 | Very high | 89.4 | Confident | 6 Ų | 6 | 20.6 Ų | 20.6 | 3% | 0.032 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.1 | -43.9 | 175.6 | 178.4 | -98.4 | 0 | 0 | 0 | 111.5 | Y116 K120 G169 A170 S171 F175 V176 H177 | Y116-N173 HydrophobicContact CE2-CB 4.09Å; Y116-N173 VanDerWaalsContact CE2-OD1 3.22Å; Y116-N173 WeakPolarHBondContact CE2-OD1 3.21Å; Y116-N173 WeakPolarHBondContact OH-CB 3.25Å; Y116-N173 PolarHBondContact OH-OD1 2.85Å; K120-N173 PolarHBondContact NZ-OD1 3.01Å; G169-N173 VanDerWaalsContact O-CB 3.25Å; G169-N173 WeakPolarHBondContact O-CB 3.26Å; G169-N173 PolarHBondContact O-N 3.12Å; A170-N173 PolarHBondContact O-N 3.5Å; S171-N173 PolarHBondContact O-N 3.26Å; N173-F175 VanDerWaalsContact C-N 3.34Å; N173-F175 PolarHBondContact O-N 3.12Å; N173-V176 PolarHBondContact O-N 2.81Å; N173-H177 PolarHBondContact ND2-CD2 3.31Å; N173-H177 PolarHBondContact ND2-NE2 3.05Å; N173-H177 VanDerWaalsContact ND2-NE2 3.14Å; N173-H177 WeakPolarHBondContact O-CB 3.43Å; N173-H177 PolarHBondContact O-CD2 3.4Å; N173-H177 PolarHBondContact O-N 3.23Å; N173-H177 PolarHBondContact OD1-NE2 3.21Å |
| 174 | S | 93.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.4 | -43.1 | 177.8 | -59 | 0 | 0 | 0 | 0 | 111.2 | A170 S171 L172 V176 H177 V178 | A170-S174 VanDerWaalsContact O-CB 3.28Å; A170-S174 WeakPolarHBondContact O-CB 3.33Å; A170-S174 PolarHBondContact O-N 3Å; A170-S174 PolarHBondContact O-OG 2.83Å; S171-S174 PolarHBondContact O-N 3.36Å; L172-S174 VanDerWaalsContact C-N 3.34Å; L172-S174 PolarHBondContact O-N 3.33Å; S174-V176 PolarHBondContact O-N 3.37Å; S174-H177 PolarHBondContact O-N 2.7Å; S174-V178 WeakPolarHBondContact O-CG2 3.42Å; S174-V178 PolarHBondContact O-N 2.87Å |
| 175 | F | 94.8 | Very high | 90.3 | Very high | 98 Ų | 98 | 25.1 Ų | 25.1 | 43% | 0.43 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -58.7 | -48.6 | 173.9 | 174.1 | -106.9 | 0 | 0 | 0 | 112.5 | S171 L172 N173 H177 V178 V179 L205 | S171-F175 PolarHBondContact O-N 3.45Å; L172-F175 PolarHBondContact O-N 3.21Å; N173-F175 VanDerWaalsContact C-N 3.34Å; N173-F175 PolarHBondContact O-N 3.12Å; F175-H177 VanDerWaalsContact C-N 3.27Å; F175-H177 PolarHBondContact O-N 3.21Å; F175-V178 WeakPolarHBondContact O-CB 3.25Å; F175-V178 PolarHBondContact O-N 3.04Å; F175-V179 HydrophobicContact CZ-CG2 4.49Å; F175-V179 PolarHBondContact O-N 2.97Å; F175-L205 HydrophobicContact CE1-CD1 4.25Å; F175-L205 HydrophobicContact CE1-CD2 4.08Å |
| 176 | V | 94.1 | Very high | 90.8 | Very high | 3 Ų | 3 | 27.7 Ų | 27.7 | 2% | 0.018 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65 | -34.9 | 177.9 | 175.8 | 0 | 0 | 0 | 0 | 111.4 | L172 N173 S174 V179 M180 L205 Q206 Q209 | L172-V176 WeakPolarHBondContact O-CG2 3.39Å; L172-V176 PolarHBondContact O-N 3.46Å; N173-V176 PolarHBondContact O-N 2.81Å; S174-V176 PolarHBondContact O-N 3.37Å; V176-V179 PolarHBondContact O-N 3.44Å; V176-M180 VanDerWaalsContact O-CB 3.32Å; V176-M180 WeakPolarHBondContact O-CB 3.48Å; V176-M180 PolarHBondContact O-N 3.42Å; V176-L205 HydrophobicContact CG2-CD2 3.96Å; V176-L205 HydrophobicContact CG2-CG 3.82Å; V176-Q206 HydrophobicContact CG1-CG 3.51Å; V176-Q209 VanDerWaalsContact CB-OE1 3.24Å; V176-Q209 HydrophobicContact CG2-CB 4.1Å |
| 177 | H | 93.9 | Very high | 91.1 | Very high | 10 Ų | 10 | 28 Ų | 28 | 5% | 0.046 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65 | -38.8 | 175 | -82.2 | -136.7 | 0 | 0 | 0 | 111.7 | K120 E123 N173 S174 F175 V179 M180 Y181 | K120-H177 PolarHBondContact NZ-CE1 3.32Å; K120-H177 VanDerWaalsContact NZ-CE1 3.32Å; E123-H177 VanDerWaalsContact CD-CE1 3.49Å; E123-H177 IonicContact OE1-CE1 3.37Å; E123-H177 PolarHBondContact OE1-CE1 3.07Å; E123-H177 IonicContact OE1-ND1 2.95Å; E123-H177 PolarHBondContact OE1-ND1 3.45Å; E123-H177 IonicContact OE2-CE1 2.9Å; E123-H177 PolarHBondContact OE2-CE1 2.94Å; N173-H177 PolarHBondContact ND2-CD2 3.31Å; N173-H177 PolarHBondContact ND2-NE2 3.05Å; N173-H177 VanDerWaalsContact ND2-NE2 3.14Å; N173-H177 WeakPolarHBondContact O-CB 3.43Å; N173-H177 PolarHBondContact O-CD2 3.4Å; N173-H177 PolarHBondContact O-N 3.23Å; N173-H177 PolarHBondContact OD1-NE2 3.21Å; S174-H177 PolarHBondContact O-N 2.7Å; F175-H177 VanDerWaalsContact C-N 3.27Å; F175-H177 PolarHBondContact O-N 3.21Å; H177-V179 VanDerWaalsContact C-N 3.3Å; H177-V179 PolarHBondContact O-N 2.78Å; H177-M180 VanDerWaalsContact CD2-CE 3.42Å; H177-M180 WeakPolarHBondContact CD2-CE 3.32Å; H177-M180 WeakPolarHBondContact NE2-CE 3.5Å; H177-M180 PolarHBondContact O-N 3.26Å; H177-Y181 HydrophobicContact CB-CD2 4.02Å; H177-Y181 HydrophobicContact CB-CE2 4.16Å; H177-Y181 AromaticContact CG-CE2 3.98Å; H177-Y181 AromaticContact ND1-CE2 3.49Å; H177-Y181 WeakPolarHBondContact ND1-CE2 3.32Å; H177-Y181 WeakPolarHBondContact O-CB 3.4Å; H177-Y181 VanDerWaalsContact O-CD2 3.26Å; H177-Y181 WeakPolarHBondContact O-CD2 3.38Å; H177-Y181 PolarHBondContact O-N 3.46Å |
| 178 | V | 95.1 | Very high | 91 | Very high | 26 Ų | 26 | 27.9 Ų | 27.9 | 16% | 0.158 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -54.2 | -49.4 | 171.3 | 172.8 | 0 | 0 | 0 | 0 | 110.6 | T73 F77 S174 F175 S182 | T73-V178 HydrophobicContact CG2-CG1 4.16Å; F77-V178 HydrophobicContact CB-CG2 3.87Å; F77-V178 VanDerWaalsContact N-CG2 3.29Å; S174-V178 WeakPolarHBondContact O-CG2 3.42Å; S174-V178 PolarHBondContact O-N 2.87Å; F175-V178 WeakPolarHBondContact O-CB 3.25Å; F175-V178 PolarHBondContact O-N 3.04Å; V178-S182 WeakPolarHBondContact O-CB 3.31Å; V178-S182 PolarHBondContact O-N 3.25Å; V178-S182 PolarHBondContact O-OG 3.12Å |
| 179 | V | 94.4 | Very high | 91 | Very high | 51 Ų | 51 | 29.2 Ų | 29.2 | 31% | 0.309 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -67 | -44.6 | -178.6 | -179.2 | 0 | 0 | 0 | 0 | 111.5 | F175 V176 H177 Y183 I202 L205 | F175-V179 HydrophobicContact CZ-CG2 4.49Å; F175-V179 PolarHBondContact O-N 2.97Å; V176-V179 PolarHBondContact O-N 3.44Å; H177-V179 VanDerWaalsContact C-N 3.3Å; H177-V179 PolarHBondContact O-N 2.78Å; V179-Y183 PolarHBondContact O-N 3.2Å; V179-I202 HydrophobicContact CG1-CG1 4.19Å; V179-L205 HydrophobicContact CB-CD2 4.34Å; V179-L205 HydrophobicContact CG1-CD2 4.41Å; V179-L205 HydrophobicContact CG2-CD2 4.17Å |
| 180 | M | 93.2 | Very high | 90.6 | Very high | 16 Ų | 16 | 31.6 Ų | 31.6 | 8% | 0.079 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.9 | -47.7 | -177.8 | 175.4 | 177.3 | 48.9 | 0 | 0 | 112.5 | V176 H177 Y183 Y184 I202 Q206 | V176-M180 VanDerWaalsContact O-CB 3.32Å; V176-M180 WeakPolarHBondContact O-CB 3.48Å; V176-M180 PolarHBondContact O-N 3.42Å; H177-M180 VanDerWaalsContact CD2-CE 3.42Å; H177-M180 WeakPolarHBondContact CD2-CE 3.32Å; H177-M180 WeakPolarHBondContact NE2-CE 3.5Å; H177-M180 PolarHBondContact O-N 3.26Å; M180-Y183 WeakPolarHBondContact O-CB 3.38Å; M180-Y183 PolarHBondContact O-N 3.17Å; M180-Y184 HydrophobicContact CG-CD2 3.95Å; M180-Y184 HydrophobicContact CG-CE2 3.4Å; M180-Y184 VanDerWaalsContact CG-CE2 3.4Å; M180-Y184 WeakPolarHBondContact O-CD2 3.46Å; M180-Y184 PolarHBondContact O-N 3.36Å; M180-Y184 HydrophobicContact SD-CE2 3.9Å; M180-I202 HydrophobicContact CB-CG2 4.23Å; M180-Q206 PolarHBondContact SD-NE2 3.19Å; M180-Q206 VanDerWaalsContact SD-NE2 3.38Å |
| 181 | Y | 92.9 | Very high | 90.3 | Very high | 3 Ų | 3 | 35 Ų | 35 | 1% | 0.012 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -72.4 | -31.8 | 179.5 | -75.5 | -72.7 | 0 | 0 | 0 | 112.2 | Y68 N69 V72 T73 E123 D126 H177 Y183 Y184 G185 | Y68-Y181 HydrophobicContact CE1-CE1 4.41Å; N69-Y181 WeakPolarHBondContact OD1-CD1 3.34Å; V72-Y181 HydrophobicContact CB-CD1 4.14Å; V72-Y181 HydrophobicContact CB-CD2 4.3Å; V72-Y181 HydrophobicContact CB-CE1 4.41Å; V72-Y181 HydrophobicContact CB-CG 4.1Å; V72-Y181 HydrophobicContact CG1-CD1 3.95Å; V72-Y181 HydrophobicContact CG1-CD2 3.42Å; V72-Y181 VanDerWaalsContact CG1-CD2 3.42Å; V72-Y181 HydrophobicContact CG1-CE1 3.97Å; V72-Y181 HydrophobicContact CG1-CE2 3.43Å; V72-Y181 VanDerWaalsContact CG1-CE2 3.43Å; V72-Y181 HydrophobicContact CG1-CG 3.71Å; T73-Y181 WeakPolarHBondContact OG1-CB 3.47Å; E123-Y181 WeakPolarHBondContact CG-OH 3.37Å; D126-Y181 WeakPolarHBondContact OD2-CE1 3.35Å; D126-Y181 PolarHBondContact OD2-OH 3.06Å; H177-Y181 HydrophobicContact CB-CD2 4.02Å; H177-Y181 HydrophobicContact CB-CE2 4.16Å; H177-Y181 AromaticContact CG-CE2 3.98Å; H177-Y181 AromaticContact ND1-CE2 3.49Å; H177-Y181 WeakPolarHBondContact ND1-CE2 3.32Å; H177-Y181 WeakPolarHBondContact O-CB 3.4Å; H177-Y181 VanDerWaalsContact O-CD2 3.26Å; H177-Y181 WeakPolarHBondContact O-CD2 3.38Å; H177-Y181 PolarHBondContact O-N 3.46Å; Y181-Y183 VanDerWaalsContact C-N 3.3Å; Y181-Y183 PolarHBondContact O-N 2.96Å; Y181-Y184 HydrophobicContact CD1-CD2 4.16Å; Y181-Y184 HydrophobicContact CE1-CD2 4.41Å; Y181-Y184 PolarHBondContact O-N 3.33Å; Y181-G185 PolarHBondContact O-N 3.42Å |
| 182 | S | 92.3 | Very high | 89.9 | Confident | 46 Ų | 46 | 37.3 Ų | 37.3 | 32% | 0.322 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -58.2 | -45.3 | 167.9 | -64.1 | 0 | 0 | 0 | 0 | 110.8 | T73 V178 Y184 G185 L186 | T73-S182 VanDerWaalsContact CG2-OG 3.29Å; T73-S182 WeakPolarHBondContact CG2-OG 3.45Å; T73-S182 PolarHBondContact OG1-N 3.34Å; V178-S182 WeakPolarHBondContact O-CB 3.31Å; V178-S182 PolarHBondContact O-N 3.25Å; V178-S182 PolarHBondContact O-OG 3.12Å; S182-Y184 PolarHBondContact O-N 3.45Å; S182-G185 PolarHBondContact O-N 2.97Å; S182-L186 VanDerWaalsContact O-CG 3.25Å; S182-L186 WeakPolarHBondContact O-CG 3.36Å; S182-L186 PolarHBondContact O-N 2.8Å |
| 183 | Y | 91.4 | Very high | 89.4 | Confident | 30 Ų | 30 | 40.7 Ų | 40.7 | 12% | 0.118 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60 | -44.3 | 175.2 | 178.1 | -86.2 | 0 | 0 | 0 | 112.2 | V179 M180 Y181 L186 A187 L196 W198 K199 I202 | V179-Y183 PolarHBondContact O-N 3.2Å; M180-Y183 WeakPolarHBondContact O-CB 3.38Å; M180-Y183 PolarHBondContact O-N 3.17Å; Y181-Y183 VanDerWaalsContact C-N 3.3Å; Y181-Y183 PolarHBondContact O-N 2.96Å; Y183-L186 PolarHBondContact O-N 3.41Å; Y183-A187 HydrophobicContact CE1-CB 4.37Å; Y183-A187 VanDerWaalsContact O-CB 3.24Å; Y183-A187 WeakPolarHBondContact O-CB 3.48Å; Y183-A187 PolarHBondContact O-N 2.92Å; Y183-L196 HydrophobicContact CD2-CB 4.49Å; Y183-L196 HydrophobicContact CD2-CD2 4.01Å; Y183-L196 HydrophobicContact CE2-CB 3.65Å; Y183-L196 HydrophobicContact CE2-CD1 4.2Å; Y183-L196 HydrophobicContact CE2-CD2 4.02Å; Y183-L196 HydrophobicContact CE2-CG 4.17Å; Y183-W198 AromaticContact CD2-CD1 3.66Å; Y183-W198 AromaticContact CD2-NE1 3.51Å; Y183-W198 AromaticContact CE2-CD1 3.9Å; Y183-K199 HydrophobicContact CE1-CG 4.26Å; Y183-K199 HydrophobicContact CE2-CB 3.93Å; Y183-K199 HydrophobicContact CE2-CG 4.39Å; Y183-K199 WeakPolarHBondContact OH-CB 3.32Å; Y183-I202 VanDerWaalsContact CB-CD1 3.42Å; Y183-I202 HydrophobicContact CD1-CD1 4.14Å; Y183-I202 HydrophobicContact CD2-CD1 3.44Å; Y183-I202 VanDerWaalsContact CD2-CD1 3.44Å; Y183-I202 HydrophobicContact CE2-CD1 4.22Å; Y183-I202 HydrophobicContact CG-CD1 3.39Å |
| 184 | Y | 88 | Confident | 88.9 | Confident | 82 Ų | 82 | 45.1 Ų | 45.1 | 32% | 0.322 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -67.4 | -38.2 | 178.8 | -67.4 | -37.1 | 0 | 0 | 0 | 113.2 | N69 M180 Y181 S182 A187 A188 | N69-Y184 WeakPolarHBondContact OD1-CB 3.38Å; M180-Y184 HydrophobicContact CG-CD2 3.95Å; M180-Y184 HydrophobicContact CG-CE2 3.4Å; M180-Y184 VanDerWaalsContact CG-CE2 3.4Å; M180-Y184 WeakPolarHBondContact O-CD2 3.46Å; M180-Y184 PolarHBondContact O-N 3.36Å; M180-Y184 HydrophobicContact SD-CE2 3.9Å; Y181-Y184 HydrophobicContact CD1-CD2 4.16Å; Y181-Y184 HydrophobicContact CE1-CD2 4.41Å; Y181-Y184 PolarHBondContact O-N 3.33Å; S182-Y184 PolarHBondContact O-N 3.45Å; Y184-A187 PolarHBondContact O-N 3.2Å; Y184-A188 PolarHBondContact O-N 3.01Å |
| 185 | G | 87.9 | Confident | 88.5 | Confident | 13 Ų | 13 | 53.1 Ų | 53.1 | 13% | 0.134 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.9 | -48.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y181 S182 A187 A188 | Y181-G185 PolarHBondContact O-N 3.42Å; S182-G185 PolarHBondContact O-N 2.97Å; G185-A187 PolarHBondContact O-N 3.34Å; G185-A188 WeakPolarHBondContact O-CB 3.37Å; G185-A188 PolarHBondContact O-N 3.02Å |
| 186 | L | 88.1 | Confident | 88.1 | Confident | 65 Ų | 65 | 49.4 Ų | 49.4 | 34% | 0.34 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.8 | -39 | 176.1 | -64 | 170.4 | 0 | 0 | 0 | 111.7 | S182 Y183 A188 I189 L192 L196 | S182-L186 VanDerWaalsContact O-CG 3.25Å; S182-L186 WeakPolarHBondContact O-CG 3.36Å; S182-L186 PolarHBondContact O-N 2.8Å; Y183-L186 PolarHBondContact O-N 3.41Å; L186-A188 PolarHBondContact O-N 3.46Å; L186-I189 PolarHBondContact O-N 2.94Å; L186-I189 VanDerWaalsContact O-N 3.12Å; L186-L192 HydrophobicContact CB-CD1 4.48Å; L186-L192 HydrophobicContact CD2-CD1 3.66Å; L186-L196 HydrophobicContact CB-CD1 4.37Å; L186-L196 HydrophobicContact CB-CD2 4.03Å; L186-L196 HydrophobicContact CD1-CD2 4.33Å |
| 187 | A | 85.8 | Confident | 87.7 | Confident | 24 Ų | 24 | 58 Ų | 58 | 20% | 0.198 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.8 | -23.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y183 Y184 G185 I189 R193 L196 | Y183-A187 HydrophobicContact CE1-CB 4.37Å; Y183-A187 VanDerWaalsContact O-CB 3.24Å; Y183-A187 WeakPolarHBondContact O-CB 3.48Å; Y183-A187 PolarHBondContact O-N 2.92Å; Y184-A187 PolarHBondContact O-N 3.2Å; G185-A187 PolarHBondContact O-N 3.34Å; A187-I189 PolarHBondContact O-N 3.39Å; A187-R193 WeakPolarHBondContact O-CG 3.46Å; A187-R193 PolarHBondContact O-NE 2.9Å; A187-L196 VanDerWaalsContact CA-CD1 3.43Å; A187-L196 HydrophobicContact CB-CD1 3.58Å |
| 188 | A | 84.8 | Confident | 87.3 | Confident | 6 Ų | 6 | 63 Ų | 63 | 5% | 0.05 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.5 | -25.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | V66 Y184 G185 L186 P190 | V66-A188 HydrophobicContact CG2-CB 3.68Å; Y184-A188 PolarHBondContact O-N 3.01Å; G185-A188 WeakPolarHBondContact O-CB 3.37Å; G185-A188 PolarHBondContact O-N 3.02Å; L186-A188 PolarHBondContact O-N 3.46Å; A188-P190 WeakPolarHBondContact O-CD 3.39Å |
| 189 | I | 85.7 | Confident | 86.8 | Confident | 67 Ų | 67 | 66.7 Ų | 66.7 | 34% | 0.344 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -86.3 | 112.8 | 177.1 | -54.8 | 179.1 | 0 | 0 | 0 | 109.6 | V66 L186 A187 A191 L192 R193 | V66-I189 HydrophobicContact CG2-CG1 4.25Å; L186-I189 PolarHBondContact O-N 2.94Å; L186-I189 VanDerWaalsContact O-N 3.12Å; A187-I189 PolarHBondContact O-N 3.39Å; I189-A191 VanDerWaalsContact C-N 3.28Å; I189-A191 HydrophobicContact CG2-CB 4.39Å; I189-A191 PolarHBondContact O-N 2.9Å; I189-L192 HydrophobicContact CB-CB 4.38Å; I189-L192 HydrophobicContact CB-CD1 4.09Å; I189-L192 HydrophobicContact CB-CG 4.22Å; I189-L192 HydrophobicContact CD1-CD1 3.92Å; I189-L192 HydrophobicContact CG2-CD1 4.19Å; I189-L192 HydrophobicContact CG2-CG 4.03Å; I189-L192 PolarHBondContact O-N 2.87Å; I189-L192 VanDerWaalsContact O-N 3.07Å; I189-R193 PolarHBondContact O-N 2.91Å |
| 190 | P | 80.3 | Confident | 86.2 | Confident | 64 Ų | 64 | 69.3 Ų | 69.3 | 42% | 0.416 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -36.6 | -174.4 | -25 | 34 | 0 | 0 | 0 | 114.3 | R62 A188 L192 R193 | R62-P190 VanDerWaalsContact NH1-CG 3.33Å; A188-P190 WeakPolarHBondContact O-CD 3.39Å; P190-L192 PolarHBondContact O-N 2.95Å; P190-R193 PolarHBondContact O-N 2.84Å |
| 191 | A | 82.9 | Confident | 85.9 | Confident | 72 Ų | 72 | 75 Ų | 75 | 60% | 0.595 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -27.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | I189 P194 Y195 | I189-A191 VanDerWaalsContact C-N 3.28Å; I189-A191 HydrophobicContact CG2-CB 4.39Å; I189-A191 PolarHBondContact O-N 2.9Å; A191-P194 WeakPolarHBondContact O-CD 3.35Å; A191-Y195 WeakPolarHBondContact O-CE2 3.43Å |
| 192 | L | 84.2 | Confident | 85.7 | Confident | 63 Ų | 63 | 75.5 Ų | 75.5 | 33% | 0.33 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -18.5 | -176.6 | -62.5 | -179.5 | 0 | 0 | 0 | 113.4 | L186 I189 P190 P194 Y195 | L186-L192 HydrophobicContact CB-CD1 4.48Å; L186-L192 HydrophobicContact CD2-CD1 3.66Å; I189-L192 HydrophobicContact CB-CB 4.38Å; I189-L192 HydrophobicContact CB-CD1 4.09Å; I189-L192 HydrophobicContact CB-CG 4.22Å; I189-L192 HydrophobicContact CD1-CD1 3.92Å; I189-L192 HydrophobicContact CG2-CD1 4.19Å; I189-L192 HydrophobicContact CG2-CG 4.03Å; I189-L192 PolarHBondContact O-N 2.87Å; I189-L192 VanDerWaalsContact O-N 3.07Å; P190-L192 PolarHBondContact O-N 2.95Å; L192-P194 VanDerWaalsContact C-CD 3.43Å; L192-Y195 PolarHBondContact O-N 3.22Å |
| 193 | R | 82.1 | Confident | 85.4 | Confident | 109 Ų | 109 | 73.9 Ų | 73.9 | 41% | 0.411 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -49 | -44.6 | 179.1 | -68.1 | -176.7 | -177.2 | 173.1 | 5.1 | 115.6 | A187 I189 P190 Y195 L196 | A187-R193 WeakPolarHBondContact O-CG 3.46Å; A187-R193 PolarHBondContact O-NE 2.9Å; I189-R193 PolarHBondContact O-N 2.91Å; P190-R193 PolarHBondContact O-N 2.84Å; R193-Y195 PolarHBondContact O-N 3.33Å; R193-L196 PolarHBondContact O-N 3.08Å |
| 194 | P | 81.9 | Confident | 85.2 | Confident | 100 Ų | 100 | 75.6 Ų | 75.6 | 65% | 0.649 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -65.3 | -23.5 | -179.3 | 23.9 | -33.3 | 0 | 0 | 0 | 113.3 | A191 L192 L196 | A191-P194 WeakPolarHBondContact O-CD 3.35Å; L192-P194 VanDerWaalsContact C-CD 3.43Å; P194-L196 VanDerWaalsContact C-N 3.34Å |
| 195 | Y | 84.2 | Confident | 85.3 | Confident | 168 Ų | 168 | 74 Ų | 74 | 66% | 0.659 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -85.9 | -3.8 | -178.8 | -55.9 | -79.7 | 0 | 0 | 0 | 113.5 | A191 L192 R193 W197 | A191-Y195 WeakPolarHBondContact O-CE2 3.43Å; L192-Y195 PolarHBondContact O-N 3.22Å; R193-Y195 PolarHBondContact O-N 3.33Å; Y195-W197 VanDerWaalsContact C-N 3.29Å; Y195-W197 PolarHBondContact O-N 3.26Å; Y195-W197 VanDerWaalsContact O-N 3.07Å |
| 196 | L | 86.6 | Confident | 85.4 | Confident | 19 Ų | 19 | 74.6 Ų | 74.6 | 10% | 0.099 | 35% | 0.354 | C | S | . | . | trans | -88.3 | 51 | -174.1 | -68.4 | 177.8 | 0 | 0 | 0 | 113.7 | Y183 L186 A187 R193 P194 W198 | Y183-L196 HydrophobicContact CD2-CB 4.49Å; Y183-L196 HydrophobicContact CD2-CD2 4.01Å; Y183-L196 HydrophobicContact CE2-CB 3.65Å; Y183-L196 HydrophobicContact CE2-CD1 4.2Å; Y183-L196 HydrophobicContact CE2-CD2 4.02Å; Y183-L196 HydrophobicContact CE2-CG 4.17Å; L186-L196 HydrophobicContact CB-CD1 4.37Å; L186-L196 HydrophobicContact CB-CD2 4.03Å; L186-L196 HydrophobicContact CD1-CD2 4.33Å; A187-L196 VanDerWaalsContact CA-CD1 3.43Å; A187-L196 HydrophobicContact CB-CD1 3.58Å; R193-L196 PolarHBondContact O-N 3.08Å; P194-L196 VanDerWaalsContact C-N 3.34Å; L196-W198 VanDerWaalsContact C-N 3.28Å; L196-W198 PolarHBondContact O-N 3.27Å | ||
| 197 | W | 86 | Confident | 85.3 | Confident | 183 Ų | 183 | 74.1 Ų | 74.1 | 69% | 0.693 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -22 | -178.7 | 59.9 | -87.5 | 0 | 0 | 0 | 113.5 | Y195 K199 Y201 | Y195-W197 VanDerWaalsContact C-N 3.29Å; Y195-W197 PolarHBondContact O-N 3.26Å; Y195-W197 VanDerWaalsContact O-N 3.07Å; W197-K199 PolarHBondContact O-N 2.89Å; W197-Y201 HydrophobicContact CE3-CE2 4.09Å; W197-Y201 HydrophobicContact CH2-CE2 4.49Å; W197-Y201 HydrophobicContact CZ3-CD2 4.48Å; W197-Y201 AromaticContact CZ3-CE2 3.6Å; W197-Y201 HydrophobicContact CZ3-CE2 3.6Å |
| 198 | W | 86.1 | Confident | 85.5 | Confident | 116 Ų | 116 | 77.3 Ų | 77.3 | 44% | 0.439 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | 9.7 | -174.1 | 57.8 | 41.8 | 0 | 0 | 0 | 115.7 | Y183 L196 R200 Y201 | Y183-W198 AromaticContact CD2-CD1 3.66Å; Y183-W198 AromaticContact CD2-NE1 3.51Å; Y183-W198 AromaticContact CE2-CD1 3.9Å; L196-W198 VanDerWaalsContact C-N 3.28Å; L196-W198 PolarHBondContact O-N 3.27Å; W198-R200 PolarHBondContact O-N 3.28Å; W198-Y201 HydrophobicContact CB-CD2 3.82Å; W198-Y201 PolarHBondContact O-N 2.94Å |
| 199 | K | 83.3 | Confident | 85.8 | Confident | 104 Ų | 104 | 77.7 Ų | 77.7 | 45% | 0.452 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -49.6 | -37.5 | 179.2 | -171.8 | -178.5 | 176.3 | 179.7 | 0 | 112.8 | Y183 W197 Y201 I202 | Y183-K199 HydrophobicContact CE1-CG 4.26Å; Y183-K199 HydrophobicContact CE2-CB 3.93Å; Y183-K199 HydrophobicContact CE2-CG 4.39Å; Y183-K199 WeakPolarHBondContact OH-CB 3.32Å; W197-K199 PolarHBondContact O-N 2.89Å; K199-Y201 VanDerWaalsContact C-N 3.34Å; K199-Y201 PolarHBondContact O-N 3.49Å; K199-I202 PolarHBondContact O-N 2.88Å |
| 200 | R | 81.9 | Confident | 85.8 | Confident | 105 Ų | 105 | 75 Ų | 75 | 40% | 0.396 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.1 | -37 | 179.9 | -176.6 | 179.4 | 177.1 | -172.1 | -2.5 | 112.6 | W198 I202 T203 Q204 Y250 Y254 | W198-R200 PolarHBondContact O-N 3.28Å; R200-I202 VanDerWaalsContact C-N 3.28Å; R200-I202 PolarHBondContact O-N 3.41Å; R200-T203 PolarHBondContact O-N 3.2Å; R200-Q204 PolarHBondContact O-N 2.85Å; R200-Q204 VanDerWaalsContact O-N 3.15Å; R200-Y250 PolarHBondContact NH2-OH 3.35Å; R200-Y254 HydrophobicContact CB-CE1 4.17Å; R200-Y254 HydrophobicContact CG-CD1 4.36Å; R200-Y254 HydrophobicContact CG-CE1 4.25Å |
| 201 | Y | 88.2 | Confident | 86.2 | Confident | 135 Ų | 135 | 74.8 Ų | 74.8 | 53% | 0.529 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -69 | -29.5 | -179.9 | -62.8 | -79 | 0 | 0 | 0 | 111.8 | W197 W198 K199 Q204 L205 | W197-Y201 HydrophobicContact CE3-CE2 4.09Å; W197-Y201 HydrophobicContact CH2-CE2 4.49Å; W197-Y201 HydrophobicContact CZ3-CD2 4.48Å; W197-Y201 AromaticContact CZ3-CE2 3.6Å; W197-Y201 HydrophobicContact CZ3-CE2 3.6Å; W198-Y201 HydrophobicContact CB-CD2 3.82Å; W198-Y201 PolarHBondContact O-N 2.94Å; K199-Y201 VanDerWaalsContact C-N 3.34Å; K199-Y201 PolarHBondContact O-N 3.49Å; Y201-Q204 PolarHBondContact O-N 3.35Å; Y201-L205 WeakPolarHBondContact O-CB 3.42Å; Y201-L205 PolarHBondContact O-N 3.27Å |
| 202 | I | 89 | Confident | 86.6 | Confident | 14 Ų | 14 | 75.2 Ų | 75.2 | 7% | 0.072 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.5 | -45.1 | 174.3 | -57.1 | 176.2 | 0 | 0 | 0 | 110.3 | V179 M180 Y183 K199 R200 Q204 L205 Q206 | V179-I202 HydrophobicContact CG1-CG1 4.19Å; M180-I202 HydrophobicContact CB-CG2 4.23Å; Y183-I202 VanDerWaalsContact CB-CD1 3.42Å; Y183-I202 HydrophobicContact CD1-CD1 4.14Å; Y183-I202 HydrophobicContact CD2-CD1 3.44Å; Y183-I202 VanDerWaalsContact CD2-CD1 3.44Å; Y183-I202 HydrophobicContact CE2-CD1 4.22Å; Y183-I202 HydrophobicContact CG-CD1 3.39Å; K199-I202 PolarHBondContact O-N 2.88Å; R200-I202 VanDerWaalsContact C-N 3.28Å; R200-I202 PolarHBondContact O-N 3.41Å; I202-Q204 VanDerWaalsContact C-N 3.33Å; I202-Q204 PolarHBondContact O-N 2.85Å; I202-L205 WeakPolarHBondContact O-CB 3.38Å; I202-L205 PolarHBondContact O-N 2.8Å; I202-Q206 WeakPolarHBondContact O-CG 3.3Å; I202-Q206 PolarHBondContact O-N 3.25Å |
| 203 | T | 85.9 | Confident | 86.7 | Confident | 12 Ų | 12 | 72.4 Ų | 72.4 | 7% | 0.074 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67 | -35 | 177.5 | -47.9 | 0 | 0 | 0 | 0 | 112.1 | R200 Q206 L207 Y250 Y254 | R200-T203 PolarHBondContact O-N 3.2Å; T203-Q206 PolarHBondContact O-N 3.39Å; T203-L207 PolarHBondContact O-N 2.88Å; T203-L207 VanDerWaalsContact O-N 3.12Å; T203-Y250 HydrophobicContact CG2-CD2 4.04Å; T203-Y254 HydrophobicContact CG2-CE2 4.41Å |
| 204 | Q | 86.1 | Confident | 86.9 | Confident | 66 Ų | 66 | 68.8 Ų | 68.8 | 31% | 0.308 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65 | -41.7 | 172.6 | -70.5 | 178.4 | -29 | 0 | 0 | 111.4 | R200 Y201 I202 L207 I208 | R200-Q204 PolarHBondContact O-N 2.85Å; R200-Q204 VanDerWaalsContact O-N 3.15Å; Y201-Q204 PolarHBondContact O-N 3.35Å; I202-Q204 VanDerWaalsContact C-N 3.33Å; I202-Q204 PolarHBondContact O-N 2.85Å; Q204-L207 PolarHBondContact O-N 3.46Å; Q204-I208 VanDerWaalsContact O-CG1 3.28Å; Q204-I208 WeakPolarHBondContact O-CG1 3.44Å; Q204-I208 PolarHBondContact O-N 2.59Å |
| 205 | L | 90.7 | Very high | 87.1 | Confident | 48 Ų | 48 | 68 Ų | 68 | 25% | 0.251 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.6 | -42.4 | 176.9 | -173.4 | 68.4 | 0 | 0 | 0 | 111.8 | F175 V176 V179 Y201 I202 L207 I208 Q209 | F175-L205 HydrophobicContact CE1-CD1 4.25Å; F175-L205 HydrophobicContact CE1-CD2 4.08Å; V176-L205 HydrophobicContact CG2-CD2 3.96Å; V176-L205 HydrophobicContact CG2-CG 3.82Å; V179-L205 HydrophobicContact CB-CD2 4.34Å; V179-L205 HydrophobicContact CG1-CD2 4.41Å; V179-L205 HydrophobicContact CG2-CD2 4.17Å; Y201-L205 WeakPolarHBondContact O-CB 3.42Å; Y201-L205 PolarHBondContact O-N 3.27Å; I202-L205 WeakPolarHBondContact O-CB 3.38Å; I202-L205 PolarHBondContact O-N 2.8Å; L205-L207 VanDerWaalsContact C-N 3.35Å; L205-L207 PolarHBondContact O-N 3.04Å; L205-I208 PolarHBondContact O-N 3.39Å; L205-Q209 PolarHBondContact O-N 2.88Å |
| 206 | Q | 88.8 | Confident | 87.2 | Confident | 27 Ų | 27 | 60.7 Ų | 60.7 | 13% | 0.126 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.1 | -43.4 | 173.2 | -74.9 | 172.5 | -30.7 | 0 | 0 | 112.1 | V176 M180 I202 T203 Q209 F210 F246 | V176-Q206 HydrophobicContact CG1-CG 3.51Å; M180-Q206 PolarHBondContact SD-NE2 3.19Å; M180-Q206 VanDerWaalsContact SD-NE2 3.38Å; I202-Q206 WeakPolarHBondContact O-CG 3.3Å; I202-Q206 PolarHBondContact O-N 3.25Å; T203-Q206 PolarHBondContact O-N 3.39Å; Q206-Q209 WeakPolarHBondContact O-CB 3.28Å; Q206-Q209 PolarHBondContact O-N 3.48Å; Q206-F210 HydrophobicContact CB-CE2 4.5Å; Q206-F210 WeakPolarHBondContact O-CD2 3.5Å; Q206-F210 WeakPolarHBondContact O-CE2 3.28Å; Q206-F210 WeakPolarHBondContact O-CG 3.42Å; Q206-F210 PolarHBondContact O-N 3.29Å; Q206-F246 HydrophobicContact CB-CE1 4.43Å |
| 207 | L | 86.2 | Confident | 87.1 | Confident | 54 Ų | 54 | 59.9 Ų | 59.9 | 28% | 0.283 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.7 | -42 | 177.9 | -171.4 | 64.6 | 0 | 0 | 0 | 111.8 | T203 Q204 L205 Q209 F210 C211 | T203-L207 PolarHBondContact O-N 2.88Å; T203-L207 VanDerWaalsContact O-N 3.12Å; Q204-L207 PolarHBondContact O-N 3.46Å; L205-L207 VanDerWaalsContact C-N 3.35Å; L205-L207 PolarHBondContact O-N 3.04Å; L207-Q209 VanDerWaalsContact C-N 3.32Å; L207-Q209 PolarHBondContact O-N 3.18Å; L207-F210 PolarHBondContact O-N 2.86Å; L207-C211 PolarHBondContact O-N 3.2Å; L207-C211 PolarHBondContact O-SG 2.81Å; L207-C211 VanDerWaalsContact O-SG 3.37Å |
| 208 | I | 89.9 | Confident | 87 | Confident | 92 Ų | 92 | 53.1 Ų | 53.1 | 47% | 0.472 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60 | -43.8 | 175.5 | -70 | 165 | 0 | 0 | 0 | 110.4 | Q204 L205 F210 C211 L212 | Q204-I208 VanDerWaalsContact O-CG1 3.28Å; Q204-I208 WeakPolarHBondContact O-CG1 3.44Å; Q204-I208 PolarHBondContact O-N 2.59Å; L205-I208 PolarHBondContact O-N 3.39Å; I208-F210 VanDerWaalsContact C-N 3.32Å; I208-F210 PolarHBondContact O-N 3.33Å; I208-C211 PolarHBondContact O-N 3.48Å; I208-L212 HydrophobicContact CG2-CD1 3.79Å; I208-L212 HydrophobicContact CG2-CG 4.11Å; I208-L212 VanDerWaalsContact O-CG 3.32Å; I208-L212 WeakPolarHBondContact O-CG 3.29Å; I208-L212 PolarHBondContact O-N 2.93Å |
| 209 | Q | 91.1 | Very high | 86.9 | Confident | 14 Ų | 14 | 50.9 Ų | 50.9 | 7% | 0.065 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -54.1 | -47.8 | 175 | 166.3 | -165.5 | -24.6 | 0 | 0 | 111.6 | L172 V176 L205 Q206 L207 L212 T213 | L172-Q209 HydrophobicContact CB-CG 3.94Å; V176-Q209 VanDerWaalsContact CB-OE1 3.24Å; V176-Q209 HydrophobicContact CG2-CB 4.1Å; L205-Q209 PolarHBondContact O-N 2.88Å; Q206-Q209 WeakPolarHBondContact O-CB 3.28Å; Q206-Q209 PolarHBondContact O-N 3.48Å; L207-Q209 VanDerWaalsContact C-N 3.32Å; L207-Q209 PolarHBondContact O-N 3.18Å; Q209-L212 PolarHBondContact O-N 2.66Å; Q209-T213 WeakPolarHBondContact O-CB 3.42Å; Q209-T213 PolarHBondContact O-N 3.33Å; Q209-T213 PolarHBondContact O-OG1 3.39Å |
| 210 | F | 87.3 | Confident | 86.7 | Confident | 10 Ų | 10 | 46 Ų | 46 | 4% | 0.044 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.9 | -43.6 | 180 | -60.3 | -45.5 | 0 | 0 | 0 | 111.5 | Q206 L207 I208 L212 T213 V214 M239 F242 I243 F246 | Q206-F210 HydrophobicContact CB-CE2 4.5Å; Q206-F210 WeakPolarHBondContact O-CD2 3.5Å; Q206-F210 WeakPolarHBondContact O-CE2 3.28Å; Q206-F210 WeakPolarHBondContact O-CG 3.42Å; Q206-F210 PolarHBondContact O-N 3.29Å; L207-F210 PolarHBondContact O-N 2.86Å; I208-F210 VanDerWaalsContact C-N 3.32Å; I208-F210 PolarHBondContact O-N 3.33Å; F210-L212 PolarHBondContact O-N 2.88Å; F210-T213 PolarHBondContact O-N 3.46Å; F210-V214 WeakPolarHBondContact O-CG2 3.41Å; F210-V214 PolarHBondContact O-N 2.92Å; F210-M239 HydrophobicContact CD1-SD 3.99Å; F210-F242 HydrophobicContact CE1-CD1 4.07Å; F210-F242 HydrophobicContact CE2-CD1 4.35Å; F210-F242 AromaticContact CZ-CD1 3.78Å; F210-F242 HydrophobicContact CZ-CD1 3.78Å; F210-I243 HydrophobicContact CB-CD1 4.5Å; F210-I243 HydrophobicContact CB-CG1 3.94Å; F210-F246 HydrophobicContact CD2-CD2 4.42Å; F210-F246 HydrophobicContact CD2-CG 4.48Å; F210-F246 HydrophobicContact CE2-CB 4.43Å; F210-F246 HydrophobicContact CE2-CD1 4.1Å; F210-F246 AromaticContact CE2-CD2 3.51Å; F210-F246 HydrophobicContact CE2-CD2 3.51Å; F210-F246 HydrophobicContact CE2-CE1 4.22Å; F210-F246 AromaticContact CE2-CE2 3.65Å; F210-F246 HydrophobicContact CE2-CE2 3.65Å; F210-F246 AromaticContact CE2-CG 3.75Å; F210-F246 HydrophobicContact CE2-CG 3.75Å; F210-F246 HydrophobicContact CE2-CZ 4.01Å; F210-F246 HydrophobicContact CZ-CD2 4.04Å; F210-F246 AromaticContact CZ-CE2 3.74Å; F210-F246 HydrophobicContact CZ-CE2 3.74Å; F210-F246 HydrophobicContact CZ-CZ 4.09Å |
| 211 | C | 88.1 | Confident | 86.7 | Confident | 59 Ų | 59 | 42.7 Ų | 42.7 | 40% | 0.399 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -59.9 | -46.7 | 175.8 | -66.1 | 0 | 0 | 0 | 0 | 112 | L207 I208 T213 V214 T215 | L207-C211 PolarHBondContact O-N 3.2Å; L207-C211 PolarHBondContact O-SG 2.81Å; L207-C211 VanDerWaalsContact O-SG 3.37Å; I208-C211 PolarHBondContact O-N 3.48Å; C211-T213 VanDerWaalsContact C-N 3.35Å; C211-T213 PolarHBondContact O-N 2.73Å; C211-V214 PolarHBondContact O-N 3.08Å; C211-T215 PolarHBondContact O-N 3.39Å; C211-T215 PolarHBondContact O-OG1 3.48Å |
| 212 | L | 90.2 | Very high | 86.4 | Confident | 82 Ų | 82 | 41.1 Ų | 41.1 | 43% | 0.429 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.2 | -42.4 | 178.4 | -69.6 | 175.7 | 0 | 0 | 0 | 111.9 | F168 L172 I208 Q209 F210 T215 Q216 | F168-L212 HydrophobicContact CE1-CB 4.5Å; L172-L212 HydrophobicContact CD1-CB 3.89Å; L172-L212 HydrophobicContact CD1-CD1 4.28Å; I208-L212 HydrophobicContact CG2-CD1 3.79Å; I208-L212 HydrophobicContact CG2-CG 4.11Å; I208-L212 VanDerWaalsContact O-CG 3.32Å; I208-L212 WeakPolarHBondContact O-CG 3.29Å; I208-L212 PolarHBondContact O-N 2.93Å; Q209-L212 PolarHBondContact O-N 2.66Å; F210-L212 PolarHBondContact O-N 2.88Å; L212-T215 PolarHBondContact O-N 2.89Å; L212-Q216 WeakPolarHBondContact O-CB 3.42Å; L212-Q216 PolarHBondContact O-N 2.84Å |
| 213 | T | 87.1 | Confident | 85.8 | Confident | 3 Ų | 3 | 49.4 Ų | 49.4 | 2% | 0.018 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.6 | -41.3 | 178.5 | -53.7 | 0 | 0 | 0 | 0 | 111.3 | Q209 F210 C211 T217 M239 | Q209-T213 WeakPolarHBondContact O-CB 3.42Å; Q209-T213 PolarHBondContact O-N 3.33Å; Q209-T213 PolarHBondContact O-OG1 3.39Å; F210-T213 PolarHBondContact O-N 3.46Å; C211-T213 VanDerWaalsContact C-N 3.35Å; C211-T213 PolarHBondContact O-N 2.73Å; T213-T217 WeakPolarHBondContact O-CB 3.21Å; T213-T217 PolarHBondContact O-N 3.33Å; T213-T217 PolarHBondContact O-OG1 3.49Å; T213-M239 HydrophobicContact CG2-CG 4.37Å; T213-M239 HydrophobicContact CG2-SD 4.18Å |
| 214 | V | 86.8 | Confident | 85.1 | Confident | 34 Ų | 34 | 53.1 Ų | 53.1 | 21% | 0.206 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.6 | -47.3 | 175.7 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | F210 C211 Q216 T217 A218 M239 I243 | F210-V214 WeakPolarHBondContact O-CG2 3.41Å; F210-V214 PolarHBondContact O-N 2.92Å; C211-V214 PolarHBondContact O-N 3.08Å; V214-Q216 VanDerWaalsContact C-N 3.34Å; V214-Q216 PolarHBondContact O-N 3.18Å; V214-T217 PolarHBondContact O-N 3.24Å; V214-A218 WeakPolarHBondContact O-CB 3.39Å; V214-A218 PolarHBondContact O-N 2.72Å; V214-M239 HydrophobicContact CG2-CB 3.36Å; V214-M239 HydrophobicContact CG2-CG 4.05Å; V214-I243 HydrophobicContact CG2-CD1 3.92Å |
| 215 | T | 86.8 | Confident | 84.2 | Confident | 83 Ų | 83 | 51.8 Ų | 51.8 | 51% | 0.509 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -58.9 | -46.8 | 179.4 | -60.7 | 0 | 0 | 0 | 0 | 111.1 | C211 L212 T217 A218 L219 | C211-T215 PolarHBondContact O-N 3.39Å; C211-T215 PolarHBondContact O-OG1 3.48Å; L212-T215 PolarHBondContact O-N 2.89Å; T215-T217 VanDerWaalsContact C-N 3.34Å; T215-T217 PolarHBondContact O-N 3.47Å; T215-A218 PolarHBondContact O-N 2.85Å; T215-L219 HydrophobicContact CG2-CD1 4.4Å; T215-L219 WeakPolarHBondContact O-CG 3.18Å; T215-L219 PolarHBondContact O-N 3.29Å |
| 216 | Q | 85.1 | Confident | 83 | Confident | 15 Ų | 15 | 52.4 Ų | 52.4 | 7% | 0.07 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.1 | -41 | 178.2 | -169.2 | -126.1 | 8 | 0 | 0 | 111.6 | H165 F168 L212 V214 L219 A220 | H165-Q216 PolarHBondContact CE1-NE2 2.91Å; H165-Q216 PolarHBondContact CE1-O 2.86Å; H165-Q216 PolarHBondContact CE1-OE1 3.13Å; H165-Q216 PolarHBondContact NE2-OE1 3.33Å; H165-Q216 VanDerWaalsContact NE2-OE1 3.16Å; F168-Q216 VanDerWaalsContact CB-NE2 3.3Å; F168-Q216 VanDerWaalsContact CB-OE1 3.3Å; F168-Q216 HydrophobicContact CD1-CB 4Å; F168-Q216 HydrophobicContact CD1-CG 3.95Å; F168-Q216 HydrophobicContact CE1-CB 3.78Å; F168-Q216 HydrophobicContact CE1-CG 4.03Å; F168-Q216 HydrophobicContact CG-CG 4.25Å; F168-Q216 VanDerWaalsContact CG-OE1 3.27Å; F168-Q216 HydrophobicContact CZ-CB 4.42Å; F168-Q216 HydrophobicContact CZ-CG 4.45Å; L212-Q216 WeakPolarHBondContact O-CB 3.42Å; L212-Q216 PolarHBondContact O-N 2.84Å; V214-Q216 VanDerWaalsContact C-N 3.34Å; V214-Q216 PolarHBondContact O-N 3.18Å; Q216-L219 PolarHBondContact O-N 3.46Å; Q216-A220 PolarHBondContact O-N 2.93Å; Q216-A220 VanDerWaalsContact O-N 3.12Å |
| 217 | T | 83.9 | Confident | 82.2 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.006 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.3 | -37.7 | 175.6 | -50.1 | 0 | 0 | 0 | 0 | 112.4 | H165 T213 V214 T215 A220 V221 L232 Q235 I236 | H165-T217 VanDerWaalsContact NE2-CA 3.31Å; H165-T217 WeakPolarHBondContact NE2-CA 3.2Å; H165-T217 PolarHBondContact NE2-OG1 3Å; T213-T217 WeakPolarHBondContact O-CB 3.21Å; T213-T217 PolarHBondContact O-N 3.33Å; T213-T217 PolarHBondContact O-OG1 3.49Å; V214-T217 PolarHBondContact O-N 3.24Å; T215-T217 VanDerWaalsContact C-N 3.34Å; T215-T217 PolarHBondContact O-N 3.47Å; T217-A220 PolarHBondContact O-N 2.95Å; T217-V221 WeakPolarHBondContact O-CG2 3.46Å; T217-V221 PolarHBondContact O-N 3.22Å; T217-L232 HydrophobicContact CG2-CB 4.27Å; T217-L232 HydrophobicContact CG2-CD2 3.85Å; T217-Q235 HydrophobicContact CG2-CB 4.18Å; T217-Q235 HydrophobicContact CG2-CG 4Å; T217-I236 HydrophobicContact CG2-CD1 4.12Å; T217-I236 HydrophobicContact CG2-CG1 3.68Å |
| 218 | A | 84.5 | Confident | 81.8 | Confident | 42 Ų | 42 | 51.9 Ų | 51.9 | 35% | 0.347 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.5 | -39.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | V214 T215 A220 V221 V222 | V214-A218 WeakPolarHBondContact O-CB 3.39Å; V214-A218 PolarHBondContact O-N 2.72Å; T215-A218 PolarHBondContact O-N 2.85Å; A218-A220 VanDerWaalsContact C-N 3.33Å; A218-A220 PolarHBondContact O-N 3.47Å; A218-V221 WeakPolarHBondContact O-CB 3.36Å; A218-V221 PolarHBondContact O-N 3.5Å; A218-V221 VanDerWaalsContact O-N 3.17Å; A218-V222 WeakPolarHBondContact O-CG2 3.36Å; A218-V222 PolarHBondContact O-N 3.16Å; A218-V222 VanDerWaalsContact O-N 3.12Å |
| 219 | L | 83.8 | Confident | 81.2 | Confident | 68 Ų | 68 | 50.6 Ų | 50.6 | 36% | 0.356 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.4 | -40.9 | 174.3 | -69.9 | 172.7 | 0 | 0 | 0 | 111.9 | Y95 T215 Q216 V221 V222 W223 | Y95-L219 HydrophobicContact CD1-CD1 4.45Å; T215-L219 HydrophobicContact CG2-CD1 4.4Å; T215-L219 WeakPolarHBondContact O-CG 3.18Å; T215-L219 PolarHBondContact O-N 3.29Å; Q216-L219 PolarHBondContact O-N 3.46Å; L219-V221 VanDerWaalsContact C-N 3.27Å; L219-V221 PolarHBondContact O-N 2.86Å; L219-V222 PolarHBondContact O-N 3.34Å; L219-W223 PolarHBondContact O-N 3.12Å |
| 220 | A | 79.3 | Confident | 80.8 | Confident | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.008 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.6 | -26.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q216 T217 A218 W223 L232 | Q216-A220 PolarHBondContact O-N 2.93Å; Q216-A220 VanDerWaalsContact O-N 3.12Å; T217-A220 PolarHBondContact O-N 2.95Å; A218-A220 VanDerWaalsContact C-N 3.33Å; A218-A220 PolarHBondContact O-N 3.47Å; A220-W223 CarbonylContact O-C 3.02Å; A220-L232 HydrophobicContact CB-CD1 4.29Å; A220-L232 HydrophobicContact CB-CD2 4.25Å |
| 221 | V | 81.1 | Confident | 80.4 | Confident | 36 Ų | 36 | 61.6 Ų | 61.6 | 22% | 0.218 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -74.1 | -39.8 | 172.4 | 173.4 | 0 | 0 | 0 | 0 | 111.3 | T217 A218 L219 L232 Y233 I236 | T217-V221 WeakPolarHBondContact O-CG2 3.46Å; T217-V221 PolarHBondContact O-N 3.22Å; A218-V221 WeakPolarHBondContact O-CB 3.36Å; A218-V221 PolarHBondContact O-N 3.5Å; A218-V221 VanDerWaalsContact O-N 3.17Å; L219-V221 VanDerWaalsContact C-N 3.27Å; L219-V221 PolarHBondContact O-N 2.86Å; V221-L232 HydrophobicContact CG2-CB 3.79Å; V221-L232 HydrophobicContact CG2-CD1 4.02Å; V221-L232 HydrophobicContact CG2-CG 4.48Å; V221-Y233 HydrophobicContact CG1-CE1 4.37Å; V221-I236 HydrophobicContact CG2-CD1 3.92Å |
| 222 | V | 82.1 | Confident | 80.1 | Confident | 103 Ų | 103 | 59 Ų | 59 | 62% | 0.624 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -73.4 | -37.7 | 179.9 | 177.5 | 0 | 0 | 0 | 0 | 111.6 | A218 L219 P224 | A218-V222 WeakPolarHBondContact O-CG2 3.36Å; A218-V222 PolarHBondContact O-N 3.16Å; A218-V222 VanDerWaalsContact O-N 3.12Å; L219-V222 PolarHBondContact O-N 3.34Å; V222-P224 WeakPolarHBondContact O-CD 3.27Å |
| 223 | W | 77.9 | Confident | 79.7 | Confident | 187 Ų | 187 | 61.8 Ų | 61.8 | 71% | 0.708 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -113.2 | 81.2 | -179.8 | -68.3 | 85.3 | 0 | 0 | 0 | 109.9 | C96 L219 A220 C225 | C96-W223 PolarHBondContact SG-O 3.05Å; L219-W223 PolarHBondContact O-N 3.12Å; A220-W223 CarbonylContact O-C 3.02Å; W223-C225 PolarHBondContact O-N 3.43Å; W223-C225 VanDerWaalsContact O-N 3.11Å |
| 224 | P | 70.2 | Confident | 79.6 | Confident | 90 Ų | 90 | 66.1 Ų | 66.1 | 58% | 0.584 | 34% | 0.344 | S | S | * | . | trans | -64.2 | 113.8 | -175.7 | 25.6 | -34.4 | 0 | 0 | 0 | 110.7 | V222 M229 | V222-P224 WeakPolarHBondContact O-CD 3.27Å; P224-M229 HydrophobicContact CB-CE 3.5Å | ||
| 225 | C | 66.7 | Low | 79.4 | Confident | 39 Ų | 39 | 66.7 Ų | 66.7 | 26% | 0.264 | 34% | 0.344 | S | S | . | . | trans | -88 | -17.2 | 172.1 | 55.2 | 0 | 0 | 0 | 0 | 113.6 | C96 N98 W223 | C96-C225 HydrophobicContact CB-CB 3.48Å; C96-C225 VanDerWaalsContact CB-CB 3.48Å; C96-C225 WeakPolarHBondContact CB-SG 3.19Å; C96-C225 WeakPolarHBondContact SG-CB 3.28Å; C96-C225 PolarHBondContact SG-N 3.35Å; C96-C225 CovalentContact SG-SG 2.01Å; C96-C225 PolarHBondContact SG-SG 3.33Å; N98-C225 PolarHBondContact ND2-O 3.03Å; N98-C225 PolarHBondContact OD1-O 3.16Å; N98-C225 PolarHBondContact OD1-SG 3.48Å; N98-C225 VanDerWaalsContact OD1-SG 3.34Å; W223-C225 PolarHBondContact O-N 3.43Å; W223-C225 VanDerWaalsContact O-N 3.11Å | ||
| 226 | G | 66.3 | Low | 79.3 | Confident | 60 Ų | 60 | 65.1 Ų | 65.1 | 62% | 0.619 | 33% | 0.332 | S | S | * | . | S | Bend | trans | 124.3 | -2.2 | -172 | 0 | 0 | 0 | 0 | 0 | 114 | N98 | N98-G226 VanDerWaalsContact OD1-CA 3.28Å; N98-G226 WeakPolarHBondContact OD1-CA 3.46Å; N98-G226 PolarHBondContact OD1-N 3.3Å |
| 227 | F | 72.3 | Confident | 79.3 | Confident | 11 Ų | 11 | 68.2 Ų | 68.2 | 5% | 0.048 | 36% | 0.355 | C | S | . | . | trans | -67.8 | 143.5 | 171.8 | -164.6 | -90.7 | 0 | 0 | 0 | 111.7 | N98 T99 I161 H165 M229 W231 L232 | N98-F227 PolarHBondContact OD1-N 2.96Å; T99-F227 HydrophobicContact CG2-CD2 4.22Å; T99-F227 HydrophobicContact CG2-CE2 4.24Å; I161-F227 HydrophobicContact CB-CE2 4.16Å; I161-F227 HydrophobicContact CB-CZ 3.96Å; I161-F227 HydrophobicContact CD1-CE1 4.28Å; I161-F227 HydrophobicContact CD1-CZ 3.65Å; I161-F227 HydrophobicContact CG1-CZ 4.4Å; I161-F227 HydrophobicContact CG2-CE2 4.06Å; I161-F227 HydrophobicContact CG2-CZ 3.86Å; H165-F227 HydrophobicContact CB-CD2 4.08Å; H165-F227 HydrophobicContact CB-CE2 3.98Å; H165-F227 HydrophobicContact CB-CG 4.4Å; H165-F227 HydrophobicContact CB-CZ 4.19Å; F227-M229 PolarHBondContact O-N 3.5Å; F227-W231 HydrophobicContact CE1-CB 3.86Å; F227-L232 HydrophobicContact CD1-CD1 4.06Å; F227-L232 HydrophobicContact CD1-CD2 3.61Å; F227-L232 HydrophobicContact CD1-CG 3.62Å; F227-L232 HydrophobicContact CE1-CD2 3.78Å; F227-L232 HydrophobicContact CE1-CG 4.02Å | ||
| 228 | P | 76.8 | Confident | 79.4 | Confident | 59 Ų | 59 | 68.9 Ų | 68.9 | 38% | 0.383 | 36% | 0.358 | S | S | . | . | trans | -69.8 | 119.2 | -174.3 | -9.9 | 22.3 | 0 | 0 | 0 | 112.4 | I161 R230 W231 | I161-P228 HydrophobicContact CG2-CG 4.21Å; P228-R230 VanDerWaalsContact C-N 3.27Å; P228-R230 PolarHBondContact O-N 2.98Å; P228-R230 VanDerWaalsContact O-N 3.15Å; P228-W231 PolarHBondContact O-N 2.67Å; P228-W231 VanDerWaalsContact O-N 3.12Å | ||
| 229 | M | 78 | Confident | 79.3 | Confident | 65 Ų | 65 | 67.3 Ų | 67.3 | 32% | 0.32 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -56.6 | -34 | -174.2 | -71.7 | -65.9 | 171.4 | 0 | 0 | 114.7 | P224 F227 W231 L232 Y233 | P224-M229 HydrophobicContact CB-CE 3.5Å; F227-M229 PolarHBondContact O-N 3.5Å; M229-W231 VanDerWaalsContact C-N 3.27Å; M229-W231 PolarHBondContact O-N 2.87Å; M229-L232 PolarHBondContact O-N 3.12Å; M229-L232 VanDerWaalsContact O-N 3.15Å; M229-L232 HydrophobicContact SD-CD1 3.88Å; M229-Y233 HydrophobicContact CB-CD2 4.48Å; M229-Y233 HydrophobicContact CB-CE2 4.16Å; M229-Y233 WeakPolarHBondContact O-CD2 3.44Å; M229-Y233 PolarHBondContact O-N 3.26Å |
| 230 | R | 82.5 | Confident | 79.2 | Confident | 218 Ų | 218 | 70.5 Ų | 70.5 | 82% | 0.823 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -58.5 | -40 | 179.3 | -64 | -174.6 | -130.8 | -123.3 | 2.4 | 112.1 | P228 F234 | P228-R230 VanDerWaalsContact C-N 3.27Å; P228-R230 PolarHBondContact O-N 2.98Å; P228-R230 VanDerWaalsContact O-N 3.15Å; R230-F234 WeakPolarHBondContact O-CB 3.39Å; R230-F234 PolarHBondContact O-N 3.32Å; R230-F234 VanDerWaalsContact O-N 3.07Å |
| 231 | W | 80.1 | Confident | 79.5 | Confident | 38 Ų | 38 | 72 Ų | 72 | 14% | 0.144 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -70.7 | -35 | 178.3 | -71.1 | 113.2 | 0 | 0 | 0 | 112.2 | M16 F156 W160 I161 F227 P228 M229 F234 Q235 | M16-W231 HydrophobicContact SD-CH2 3.64Å; M16-W231 HydrophobicContact SD-CZ2 3.63Å; F156-W231 HydrophobicContact CB-CH2 3.83Å; F156-W231 HydrophobicContact CB-CZ3 4.16Å; W160-W231 HydrophobicContact CB-CZ2 3.7Å; W160-W231 HydrophobicContact CD2-CZ2 4.32Å; W160-W231 AromaticContact CG-CZ2 3.96Å; W160-W231 HydrophobicContact CG-CZ2 3.96Å; I161-W231 HydrophobicContact CD1-CB 3.77Å; I161-W231 HydrophobicContact CD1-CD2 3.73Å; I161-W231 HydrophobicContact CD1-CE3 3.96Å; I161-W231 HydrophobicContact CD1-CG 3.64Å; I161-W231 HydrophobicContact CG1-CD2 4.23Å; I161-W231 HydrophobicContact CG1-CG 4.32Å; I161-W231 HydrophobicContact CG2-CG 4.35Å; F227-W231 HydrophobicContact CE1-CB 3.86Å; P228-W231 PolarHBondContact O-N 2.67Å; P228-W231 VanDerWaalsContact O-N 3.12Å; M229-W231 VanDerWaalsContact C-N 3.27Å; M229-W231 PolarHBondContact O-N 2.87Å; W231-F234 HydrophobicContact CE3-CD1 4.46Å; W231-F234 PolarHBondContact O-N 3.31Å; W231-Q235 WeakPolarHBondContact O-CB 3.33Å; W231-Q235 PolarHBondContact O-N 2.7Å |
| 232 | L | 80.1 | Confident | 79.5 | Confident | 3 Ų | 3 | 70.3 Ų | 70.3 | 2% | 0.016 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65 | -45.3 | 175.3 | -62.6 | 172.9 | 0 | 0 | 0 | 111.5 | T217 A220 V221 F227 M229 F234 Q235 I236 | T217-L232 HydrophobicContact CG2-CB 4.27Å; T217-L232 HydrophobicContact CG2-CD2 3.85Å; A220-L232 HydrophobicContact CB-CD1 4.29Å; A220-L232 HydrophobicContact CB-CD2 4.25Å; V221-L232 HydrophobicContact CG2-CB 3.79Å; V221-L232 HydrophobicContact CG2-CD1 4.02Å; V221-L232 HydrophobicContact CG2-CG 4.48Å; F227-L232 HydrophobicContact CD1-CD1 4.06Å; F227-L232 HydrophobicContact CD1-CD2 3.61Å; F227-L232 HydrophobicContact CD1-CG 3.62Å; F227-L232 HydrophobicContact CE1-CD2 3.78Å; F227-L232 HydrophobicContact CE1-CG 4.02Å; M229-L232 PolarHBondContact O-N 3.12Å; M229-L232 VanDerWaalsContact O-N 3.15Å; M229-L232 HydrophobicContact SD-CD1 3.88Å; L232-F234 VanDerWaalsContact C-N 3.35Å; L232-F234 PolarHBondContact O-N 3.31Å; L232-Q235 PolarHBondContact O-N 3.07Å; L232-I236 WeakPolarHBondContact O-CG1 3.14Å; L232-I236 PolarHBondContact O-N 3.34Å |
| 233 | Y | 83.2 | Confident | 79.4 | Confident | 142 Ų | 142 | 67.2 Ų | 67.2 | 56% | 0.557 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -63.3 | -40.8 | 175.8 | -70.3 | -59.1 | 0 | 0 | 0 | 112.4 | V221 M229 I236 S237 | V221-Y233 HydrophobicContact CG1-CE1 4.37Å; M229-Y233 HydrophobicContact CB-CD2 4.48Å; M229-Y233 HydrophobicContact CB-CE2 4.16Å; M229-Y233 WeakPolarHBondContact O-CD2 3.44Å; M229-Y233 PolarHBondContact O-N 3.26Å; Y233-I236 PolarHBondContact O-N 3.33Å; Y233-S237 WeakPolarHBondContact O-CB 3.12Å; Y233-S237 PolarHBondContact O-N 3.36Å |
| 234 | F | 84.7 | Confident | 79.8 | Confident | 93 Ų | 93 | 62 Ų | 62 | 41% | 0.408 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.1 | -46.5 | 174.1 | 179.2 | -99 | 0 | 0 | 0 | 111.5 | I153 R230 W231 L232 I236 S237 Y238 | I153-F234 HydrophobicContact CD1-CE1 4.41Å; I153-F234 HydrophobicContact CD1-CZ 4.24Å; I153-F234 HydrophobicContact CG1-CE1 4.2Å; I153-F234 HydrophobicContact CG1-CZ 4.05Å; I153-F234 HydrophobicContact CG2-CE1 3.97Å; R230-F234 WeakPolarHBondContact O-CB 3.39Å; R230-F234 PolarHBondContact O-N 3.32Å; R230-F234 VanDerWaalsContact O-N 3.07Å; W231-F234 HydrophobicContact CE3-CD1 4.46Å; W231-F234 PolarHBondContact O-N 3.31Å; L232-F234 VanDerWaalsContact C-N 3.35Å; L232-F234 PolarHBondContact O-N 3.31Å; F234-I236 PolarHBondContact O-N 2.83Å; F234-S237 PolarHBondContact O-N 3.09Å; F234-Y238 WeakPolarHBondContact O-CB 3.44Å; F234-Y238 PolarHBondContact O-N 3.45Å |
| 235 | Q | 82.5 | Confident | 80.3 | Confident | 47 Ų | 47 | 59.7 Ų | 59.7 | 22% | 0.22 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.4 | -44.2 | 177.4 | -179.6 | 66.7 | 2 | 0 | 0 | 112.1 | T217 W231 L232 Y238 M239 | T217-Q235 HydrophobicContact CG2-CB 4.18Å; T217-Q235 HydrophobicContact CG2-CG 4Å; W231-Q235 WeakPolarHBondContact O-CB 3.33Å; W231-Q235 PolarHBondContact O-N 2.7Å; L232-Q235 PolarHBondContact O-N 3.07Å; Q235-Y238 PolarHBondContact O-N 3.22Å; Q235-M239 WeakPolarHBondContact O-CB 3.45Å; Q235-M239 VanDerWaalsContact O-CG 3.28Å; Q235-M239 WeakPolarHBondContact O-CG 3.4Å; Q235-M239 PolarHBondContact O-N 3.16Å |
| 236 | I | 83.4 | Confident | 80.8 | Confident | 49 Ų | 49 | 59.2 Ų | 59.2 | 25% | 0.251 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.9 | -47.6 | 176.7 | -69.6 | 168.9 | 0 | 0 | 0 | 110.7 | T217 V221 L232 Y233 F234 Y238 M239 F240 | T217-I236 HydrophobicContact CG2-CD1 4.12Å; T217-I236 HydrophobicContact CG2-CG1 3.68Å; V221-I236 HydrophobicContact CG2-CD1 3.92Å; L232-I236 WeakPolarHBondContact O-CG1 3.14Å; L232-I236 PolarHBondContact O-N 3.34Å; Y233-I236 PolarHBondContact O-N 3.33Å; F234-I236 PolarHBondContact O-N 2.83Å; I236-Y238 PolarHBondContact O-N 3.33Å; I236-M239 PolarHBondContact O-N 2.92Å; I236-F240 WeakPolarHBondContact O-CB 3.23Å; I236-F240 PolarHBondContact O-N 3.06Å |
| 237 | S | 86.3 | Confident | 81.3 | Confident | 80 Ų | 80 | 58.5 Ų | 58.5 | 56% | 0.559 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -59.6 | -46.1 | 178.9 | -177.4 | 0 | 0 | 0 | 0 | 111.8 | Y233 F234 F240 S241 | Y233-S237 WeakPolarHBondContact O-CB 3.12Å; Y233-S237 PolarHBondContact O-N 3.36Å; F234-S237 PolarHBondContact O-N 3.09Å; S237-F240 PolarHBondContact O-N 2.95Å; S237-S241 PolarHBondContact O-N 3.5Å; S237-S241 VanDerWaalsContact O-N 3.16Å |
| 238 | Y | 85 | Confident | 81.9 | Confident | 15 Ų | 15 | 62.7 Ų | 62.7 | 6% | 0.059 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.9 | -47.1 | 178.3 | -178.5 | -114.8 | 0 | 0 | 0 | 111.9 | S149 M150 I153 F234 Q235 I236 F240 S241 F242 | S149-Y238 PolarHBondContact OG-OH 3.39Å; M150-Y238 WeakPolarHBondContact CG-OH 3.31Å; M150-Y238 HydrophobicContact SD-CE1 3.89Å; M150-Y238 PolarHBondContact SD-OH 3.06Å; I153-Y238 HydrophobicContact CD1-CD1 4.12Å; I153-Y238 HydrophobicContact CD1-CD2 3.56Å; I153-Y238 HydrophobicContact CD1-CE1 3.84Å; I153-Y238 HydrophobicContact CD1-CE2 3.21Å; I153-Y238 HydrophobicContact CD1-CG 3.99Å; F234-Y238 WeakPolarHBondContact O-CB 3.44Å; F234-Y238 PolarHBondContact O-N 3.45Å; Q235-Y238 PolarHBondContact O-N 3.22Å; I236-Y238 PolarHBondContact O-N 3.33Å; Y238-F240 VanDerWaalsContact C-N 3.32Å; Y238-F240 PolarHBondContact O-N 3.45Å; Y238-S241 WeakPolarHBondContact O-CB 3.19Å; Y238-S241 PolarHBondContact O-N 3.16Å; Y238-S241 PolarHBondContact O-OG 3.24Å; Y238-F242 HydrophobicContact CD1-CD2 4.48Å; Y238-F242 HydrophobicContact CD2-CD2 4.38Å; Y238-F242 HydrophobicContact CD2-CE2 4.26Å; Y238-F242 HydrophobicContact CE1-CD2 4.08Å; Y238-F242 AromaticContact CE1-CE2 3.84Å; Y238-F242 HydrophobicContact CE1-CE2 3.84Å; Y238-F242 AromaticContact CE2-CD2 3.98Å; Y238-F242 HydrophobicContact CE2-CD2 3.98Å; Y238-F242 AromaticContact CE2-CE2 3.44Å; Y238-F242 HydrophobicContact CE2-CE2 3.44Å; Y238-F242 VanDerWaalsContact CE2-CE2 3.44Å; Y238-F242 HydrophobicContact CE2-CZ 4.49Å; Y238-F242 AromaticContact CZ-CD2 3.83Å; Y238-F242 AromaticContact CZ-CE2 3.19Å; Y238-F242 AromaticContact CZ-CZ 3.98Å; Y238-F242 PolarHBondContact O-N 3.31Å; Y238-F242 WeakPolarHBondContact OH-CE2 3.39Å; Y238-F242 WeakPolarHBondContact OH-CZ 3.29Å |
| 239 | M | 82.4 | Confident | 82.1 | Confident | 10 Ų | 10 | 63 Ų | 63 | 5% | 0.049 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63 | -36.5 | 177.4 | -72.8 | -64.1 | 103.2 | 0 | 0 | 112.8 | F210 T213 V214 Q235 I236 S241 F242 I243 | F210-M239 HydrophobicContact CD1-SD 3.99Å; T213-M239 HydrophobicContact CG2-CG 4.37Å; T213-M239 HydrophobicContact CG2-SD 4.18Å; V214-M239 HydrophobicContact CG2-CB 3.36Å; V214-M239 HydrophobicContact CG2-CG 4.05Å; Q235-M239 WeakPolarHBondContact O-CB 3.45Å; Q235-M239 VanDerWaalsContact O-CG 3.28Å; Q235-M239 WeakPolarHBondContact O-CG 3.4Å; Q235-M239 PolarHBondContact O-N 3.16Å; I236-M239 PolarHBondContact O-N 2.92Å; M239-S241 VanDerWaalsContact C-N 3.34Å; M239-S241 PolarHBondContact O-N 2.9Å; M239-F242 WeakPolarHBondContact O-CB 3.28Å; M239-F242 PolarHBondContact O-N 2.77Å; M239-F242 VanDerWaalsContact O-N 3.17Å; M239-I243 WeakPolarHBondContact O-CG1 3.47Å; M239-I243 PolarHBondContact O-N 3.15Å |
| 240 | F | 83.4 | Confident | 82 | Confident | 135 Ų | 135 | 62.6 Ų | 62.6 | 59% | 0.592 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -61.2 | -42.9 | 174.5 | -175.8 | -100 | 0 | 0 | 0 | 111.7 | I236 S237 Y238 F242 I243 V244 | I236-F240 WeakPolarHBondContact O-CB 3.23Å; I236-F240 PolarHBondContact O-N 3.06Å; S237-F240 PolarHBondContact O-N 2.95Å; Y238-F240 VanDerWaalsContact C-N 3.32Å; Y238-F240 PolarHBondContact O-N 3.45Å; F240-F242 PolarHBondContact O-N 3.47Å; F240-I243 PolarHBondContact O-N 3.34Å; F240-V244 HydrophobicContact CD1-CG2 4.33Å; F240-V244 HydrophobicContact CE1-CG2 3.93Å; F240-V244 HydrophobicContact CZ-CG2 4.08Å; F240-V244 WeakPolarHBondContact O-CG2 3.22Å; F240-V244 PolarHBondContact O-N 3.43Å; F240-V244 VanDerWaalsContact O-N 3.09Å |
| 241 | S | 85.1 | Confident | 81.9 | Confident | 31 Ų | 31 | 55.3 Ų | 55.3 | 22% | 0.217 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.4 | -39.8 | 174.7 | 80.9 | 0 | 0 | 0 | 0 | 112 | Y145 S237 Y238 M239 V244 L245 | Y145-S241 PolarHBondContact OH-OG 3.34Å; S237-S241 PolarHBondContact O-N 3.5Å; S237-S241 VanDerWaalsContact O-N 3.16Å; Y238-S241 WeakPolarHBondContact O-CB 3.19Å; Y238-S241 PolarHBondContact O-N 3.16Å; Y238-S241 PolarHBondContact O-OG 3.24Å; M239-S241 VanDerWaalsContact C-N 3.34Å; M239-S241 PolarHBondContact O-N 2.9Å; S241-V244 PolarHBondContact O-N 3.3Å; S241-L245 WeakPolarHBondContact O-CD1 3.04Å; S241-L245 WeakPolarHBondContact O-CG 3.3Å; S241-L245 PolarHBondContact O-N 2.85Å; S241-L245 VanDerWaalsContact O-N 3.09Å |
| 242 | F | 79.7 | Confident | 81.9 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 0% | 0.004 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.1 | -45.2 | 177 | -96 | -97.3 | 0 | 0 | 0 | 112.9 | L142 Y145 H146 F210 Y238 M239 F240 V244 L245 F246 | L142-F242 HydrophobicContact CD1-CE1 4.43Å; Y145-F242 HydrophobicContact CD1-CE2 4.12Å; Y145-F242 HydrophobicContact CD1-CZ 4.25Å; Y145-F242 HydrophobicContact CE1-CD2 4.22Å; Y145-F242 AromaticContact CE1-CE2 3.59Å; Y145-F242 HydrophobicContact CE1-CE2 3.59Å; Y145-F242 HydrophobicContact CE1-CZ 4.18Å; H146-F242 HydrophobicContact CB-CE1 3.83Å; H146-F242 HydrophobicContact CB-CZ 3.64Å; H146-F242 AromaticContact CD2-CE1 3.33Å; H146-F242 WeakPolarHBondContact CD2-CE1 3.25Å; H146-F242 AromaticContact CD2-CZ 3.42Å; H146-F242 VanDerWaalsContact CD2-CZ 3.42Å; H146-F242 WeakPolarHBondContact CD2-CZ 3.39Å; H146-F242 AromaticContact CG-CE1 3.9Å; H146-F242 AromaticContact CG-CZ 3.91Å; F210-F242 HydrophobicContact CE1-CD1 4.07Å; F210-F242 HydrophobicContact CE2-CD1 4.35Å; F210-F242 AromaticContact CZ-CD1 3.78Å; F210-F242 HydrophobicContact CZ-CD1 3.78Å; Y238-F242 HydrophobicContact CD1-CD2 4.48Å; Y238-F242 HydrophobicContact CD2-CD2 4.38Å; Y238-F242 HydrophobicContact CD2-CE2 4.26Å; Y238-F242 HydrophobicContact CE1-CD2 4.08Å; Y238-F242 AromaticContact CE1-CE2 3.84Å; Y238-F242 HydrophobicContact CE1-CE2 3.84Å; Y238-F242 AromaticContact CE2-CD2 3.98Å; Y238-F242 HydrophobicContact CE2-CD2 3.98Å; Y238-F242 AromaticContact CE2-CE2 3.44Å; Y238-F242 HydrophobicContact CE2-CE2 3.44Å; Y238-F242 VanDerWaalsContact CE2-CE2 3.44Å; Y238-F242 HydrophobicContact CE2-CZ 4.49Å; Y238-F242 AromaticContact CZ-CD2 3.83Å; Y238-F242 AromaticContact CZ-CE2 3.19Å; Y238-F242 AromaticContact CZ-CZ 3.98Å; Y238-F242 PolarHBondContact O-N 3.31Å; Y238-F242 WeakPolarHBondContact OH-CE2 3.39Å; Y238-F242 WeakPolarHBondContact OH-CZ 3.29Å; M239-F242 WeakPolarHBondContact O-CB 3.28Å; M239-F242 PolarHBondContact O-N 2.77Å; M239-F242 VanDerWaalsContact O-N 3.17Å; F240-F242 PolarHBondContact O-N 3.47Å; F242-V244 VanDerWaalsContact C-N 3.29Å; F242-V244 PolarHBondContact O-N 2.86Å; F242-L245 PolarHBondContact O-N 3.04Å; F242-F246 AromaticContact CD1-CD2 3.85Å; F242-F246 HydrophobicContact CD1-CD2 3.85Å; F242-F246 AromaticContact CD1-CE2 3.6Å; F242-F246 HydrophobicContact CD1-CE2 3.6Å; F242-F246 HydrophobicContact CE1-CD2 4.49Å; F242-F246 AromaticContact CE1-CE2 3.87Å; F242-F246 HydrophobicContact CE1-CE2 3.87Å; F242-F246 WeakPolarHBondContact O-CB 3.32Å; F242-F246 WeakPolarHBondContact O-CD2 3.19Å; F242-F246 PolarHBondContact O-N 3.3Å |
| 243 | I | 81.3 | Confident | 81.7 | Confident | 39 Ų | 39 | 61.4 Ų | 61.4 | 20% | 0.2 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.2 | -44.7 | 177.4 | -69.8 | 168.3 | 0 | 0 | 0 | 110.3 | F210 V214 M239 F240 S247 | F210-I243 HydrophobicContact CB-CD1 4.5Å; F210-I243 HydrophobicContact CB-CG1 3.94Å; V214-I243 HydrophobicContact CG2-CD1 3.92Å; M239-I243 WeakPolarHBondContact O-CG1 3.47Å; M239-I243 PolarHBondContact O-N 3.15Å; F240-I243 PolarHBondContact O-N 3.34Å; I243-S247 WeakPolarHBondContact O-CB 3.5Å; I243-S247 PolarHBondContact O-N 2.98Å; I243-S247 PolarHBondContact O-OG 2.01Å |
| 244 | V | 85.3 | Confident | 81.4 | Confident | 77 Ų | 77 | 56.4 Ų | 56.4 | 47% | 0.467 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.3 | -48.7 | 178.7 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | F240 S241 F242 S247 N248 | F240-V244 HydrophobicContact CD1-CG2 4.33Å; F240-V244 HydrophobicContact CE1-CG2 3.93Å; F240-V244 HydrophobicContact CZ-CG2 4.08Å; F240-V244 WeakPolarHBondContact O-CG2 3.22Å; F240-V244 PolarHBondContact O-N 3.43Å; F240-V244 VanDerWaalsContact O-N 3.09Å; S241-V244 PolarHBondContact O-N 3.3Å; F242-V244 VanDerWaalsContact C-N 3.29Å; F242-V244 PolarHBondContact O-N 2.86Å; V244-S247 PolarHBondContact O-N 3.47Å; V244-N248 WeakPolarHBondContact O-CB 3.46Å; V244-N248 PolarHBondContact O-N 3.33Å |
| 245 | L | 81.4 | Confident | 80.8 | Confident | 42 Ų | 42 | 57.8 Ų | 57.8 | 22% | 0.22 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.4 | -43.9 | -177.7 | -69.4 | 161.7 | 0 | 0 | 0 | 112.6 | F141 L142 Y145 S241 F242 N248 F249 | F141-L245 HydrophobicContact CD1-CD2 4.05Å; F141-L245 HydrophobicContact CE1-CD2 3.88Å; L142-L245 HydrophobicContact CD1-CB 3.76Å; L142-L245 HydrophobicContact CD1-CD1 4.24Å; Y145-L245 HydrophobicContact CD1-CD1 3.68Å; Y145-L245 HydrophobicContact CE1-CD1 3.69Å; S241-L245 WeakPolarHBondContact O-CD1 3.04Å; S241-L245 WeakPolarHBondContact O-CG 3.3Å; S241-L245 PolarHBondContact O-N 2.85Å; S241-L245 VanDerWaalsContact O-N 3.09Å; F242-L245 PolarHBondContact O-N 3.04Å; L245-N248 PolarHBondContact O-N 3.43Å; L245-F249 PolarHBondContact O-N 3.48Å |
| 246 | F | 76.7 | Confident | 80.3 | Confident | 28 Ų | 28 | 61.2 Ų | 61.2 | 12% | 0.123 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.7 | -37.4 | 177.2 | -92.7 | -93.8 | 0 | 0 | 0 | 112.2 | L142 Q206 F210 F242 F249 Y250 | L142-F246 HydrophobicContact CD1-CD2 3.82Å; L142-F246 HydrophobicContact CD1-CE2 3.68Å; L142-F246 HydrophobicContact CD2-CD1 4.19Å; L142-F246 HydrophobicContact CD2-CD2 3.76Å; L142-F246 HydrophobicContact CD2-CE1 4.2Å; L142-F246 HydrophobicContact CD2-CE2 3.77Å; L142-F246 HydrophobicContact CD2-CG 3.98Å; L142-F246 HydrophobicContact CD2-CZ 4Å; L142-F246 HydrophobicContact CG-CD2 4.33Å; L142-F246 HydrophobicContact CG-CE2 4.05Å; L142-F246 HydrophobicContact CG-CZ 4.46Å; Q206-F246 HydrophobicContact CB-CE1 4.43Å; F210-F246 HydrophobicContact CD2-CD2 4.42Å; F210-F246 HydrophobicContact CD2-CG 4.48Å; F210-F246 HydrophobicContact CE2-CB 4.43Å; F210-F246 HydrophobicContact CE2-CD1 4.1Å; F210-F246 AromaticContact CE2-CD2 3.51Å; F210-F246 HydrophobicContact CE2-CD2 3.51Å; F210-F246 HydrophobicContact CE2-CE1 4.22Å; F210-F246 AromaticContact CE2-CE2 3.65Å; F210-F246 HydrophobicContact CE2-CE2 3.65Å; F210-F246 AromaticContact CE2-CG 3.75Å; F210-F246 HydrophobicContact CE2-CG 3.75Å; F210-F246 HydrophobicContact CE2-CZ 4.01Å; F210-F246 HydrophobicContact CZ-CD2 4.04Å; F210-F246 AromaticContact CZ-CE2 3.74Å; F210-F246 HydrophobicContact CZ-CE2 3.74Å; F210-F246 HydrophobicContact CZ-CZ 4.09Å; F242-F246 AromaticContact CD1-CD2 3.85Å; F242-F246 HydrophobicContact CD1-CD2 3.85Å; F242-F246 AromaticContact CD1-CE2 3.6Å; F242-F246 HydrophobicContact CD1-CE2 3.6Å; F242-F246 HydrophobicContact CE1-CD2 4.49Å; F242-F246 AromaticContact CE1-CE2 3.87Å; F242-F246 HydrophobicContact CE1-CE2 3.87Å; F242-F246 WeakPolarHBondContact O-CB 3.32Å; F242-F246 WeakPolarHBondContact O-CD2 3.19Å; F242-F246 PolarHBondContact O-N 3.3Å; F246-F249 PolarHBondContact O-N 3.26Å; F246-Y250 WeakPolarHBondContact O-CB 2.97Å; F246-Y250 PolarHBondContact O-N 2.94Å |
| 247 | S | 77.7 | Confident | 79.6 | Confident | 45 Ų | 45 | 67 Ų | 67 | 32% | 0.315 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.1 | -42.8 | 175.1 | -63 | 0 | 0 | 0 | 0 | 111.2 | I243 V244 Y250 V251 | I243-S247 WeakPolarHBondContact O-CB 3.5Å; I243-S247 PolarHBondContact O-N 2.98Å; I243-S247 PolarHBondContact O-OG 2.01Å; V244-S247 PolarHBondContact O-N 3.47Å; S247-Y250 PolarHBondContact O-N 2.91Å; S247-V251 VanDerWaalsContact O-CG2 3.31Å; S247-V251 WeakPolarHBondContact O-CG2 3.38Å; S247-V251 PolarHBondContact O-N 2.69Å |
| 248 | N | 84.8 | Confident | 78.8 | Confident | 100 Ų | 100 | 67 Ų | 67 | 54% | 0.535 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.9 | -49 | 174.6 | -170.2 | -9.3 | 0 | 0 | 0 | 111.3 | V244 L245 Y250 V251 Q252 | V244-N248 WeakPolarHBondContact O-CB 3.46Å; V244-N248 PolarHBondContact O-N 3.33Å; L245-N248 PolarHBondContact O-N 3.43Å; N248-Y250 VanDerWaalsContact C-N 3.34Å; N248-Y250 PolarHBondContact O-N 3.34Å; N248-V251 PolarHBondContact O-N 3.11Å; N248-Q252 WeakPolarHBondContact O-CB 3.48Å; N248-Q252 PolarHBondContact O-N 3.1Å |
| 249 | F | 79.8 | Confident | 78.1 | Confident | 66 Ų | 66 | 70 Ų | 70 | 29% | 0.289 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -57.6 | -43.8 | 175.6 | 174.4 | -98.6 | 0 | 0 | 0 | 112.7 | L142 L245 F246 Q252 T253 | L142-F249 HydrophobicContact CD2-CB 4.19Å; L142-F249 HydrophobicContact CD2-CG 4.5Å; L245-F249 PolarHBondContact O-N 3.48Å; F246-F249 PolarHBondContact O-N 3.26Å; F249-Q252 PolarHBondContact O-N 3.25Å; F249-T253 WeakPolarHBondContact CE2-OG1 2.81Å; F249-T253 HydrophobicContact CZ-CG2 4.41Å; F249-T253 VanDerWaalsContact O-CB 3.24Å; F249-T253 WeakPolarHBondContact O-CB 3.41Å; F249-T253 PolarHBondContact O-N 3.27Å; F249-T253 PolarHBondContact O-OG1 2.84Å |
| 250 | Y | 77.2 | Confident | 77.3 | Confident | 55 Ų | 55 | 72.8 Ų | 72.8 | 22% | 0.216 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.2 | -46.4 | 179.7 | -179.5 | -93.8 | 0 | 0 | 0 | 111.7 | R200 T203 F246 S247 N248 Q252 T253 Y254 | R200-Y250 PolarHBondContact NH2-OH 3.35Å; T203-Y250 HydrophobicContact CG2-CD2 4.04Å; F246-Y250 WeakPolarHBondContact O-CB 2.97Å; F246-Y250 PolarHBondContact O-N 2.94Å; S247-Y250 PolarHBondContact O-N 2.91Å; N248-Y250 VanDerWaalsContact C-N 3.34Å; N248-Y250 PolarHBondContact O-N 3.34Å; Y250-Q252 PolarHBondContact O-N 3.37Å; Y250-T253 PolarHBondContact O-N 3.08Å; Y250-Y254 AromaticContact CD2-CD2 3.56Å; Y250-Y254 HydrophobicContact CD2-CD2 3.56Å; Y250-Y254 HydrophobicContact CD2-CE2 4.12Å; Y250-Y254 HydrophobicContact CD2-CG 4.34Å; Y250-Y254 AromaticContact CE2-CD2 3.86Å; Y250-Y254 HydrophobicContact CE2-CD2 3.86Å; Y250-Y254 HydrophobicContact CE2-CE2 4.49Å; Y250-Y254 HydrophobicContact CE2-CG 4.23Å; Y250-Y254 HydrophobicContact CG-CD2 4.22Å; Y250-Y254 WeakPolarHBondContact O-CB 3.42Å; Y250-Y254 PolarHBondContact O-N 3.08Å |
| 251 | V | 80.8 | Confident | 76.6 | Confident | 65 Ų | 65 | 71 Ų | 71 | 39% | 0.394 | 35% | 0.354 | S | S | . | . | I | π-helix | trans | -62 | -44.3 | 177.4 | 170.9 | 0 | 0 | 0 | 0 | 110.9 | S247 N248 K255 K256 | S247-V251 VanDerWaalsContact O-CG2 3.31Å; S247-V251 WeakPolarHBondContact O-CG2 3.38Å; S247-V251 PolarHBondContact O-N 2.69Å; N248-V251 PolarHBondContact O-N 3.11Å; V251-K255 HydrophobicContact CG1-CB 4.4Å; V251-K255 WeakPolarHBondContact O-CB 3.09Å; V251-K255 PolarHBondContact O-N 3.48Å; V251-K256 PolarHBondContact O-N 3.31Å |
| 252 | Q | 78.2 | Confident | 75.7 | Confident | 119 Ų | 119 | 75.5 Ų | 75.5 | 56% | 0.556 | 37% | 0.37 | S | S | * | . | I | π-helix | trans | -68.5 | -38.5 | -179 | -167.4 | 171.5 | 30.5 | 0 | 0 | 112.8 | N248 F249 Y250 | N248-Q252 WeakPolarHBondContact O-CB 3.48Å; N248-Q252 PolarHBondContact O-N 3.1Å; F249-Q252 PolarHBondContact O-N 3.25Å; Y250-Q252 PolarHBondContact O-N 3.37Å |
| 253 | T | 77.3 | Confident | 75.3 | Confident | 50 Ų | 50 | 82.2 Ų | 82.2 | 31% | 0.307 | 40% | 0.399 | S | S | . | . | I | π-helix | trans | -84.5 | -42.3 | -174.2 | -57.4 | 0 | 0 | 0 | 0 | 112.9 | F249 Y250 R257 | F249-T253 WeakPolarHBondContact CE2-OG1 2.81Å; F249-T253 HydrophobicContact CZ-CG2 4.41Å; F249-T253 VanDerWaalsContact O-CB 3.24Å; F249-T253 WeakPolarHBondContact O-CB 3.41Å; F249-T253 PolarHBondContact O-N 3.27Å; F249-T253 PolarHBondContact O-OG1 2.84Å; Y250-T253 PolarHBondContact O-N 3.08Å; T253-R257 WeakPolarHBondContact O-CB 3.38Å |
| 254 | Y | 75.6 | Confident | 74.6 | Confident | 38 Ų | 38 | 87.2 Ų | 87.2 | 15% | 0.149 | 42% | 0.422 | C | S | . | . | I | π-helix | trans | -105.2 | -47.9 | -170.9 | -63.6 | -79.9 | 0 | 0 | 0 | 112.4 | R200 T203 Y250 R257 I258 | R200-Y254 HydrophobicContact CB-CE1 4.17Å; R200-Y254 HydrophobicContact CG-CD1 4.36Å; R200-Y254 HydrophobicContact CG-CE1 4.25Å; T203-Y254 HydrophobicContact CG2-CE2 4.41Å; Y250-Y254 AromaticContact CD2-CD2 3.56Å; Y250-Y254 HydrophobicContact CD2-CD2 3.56Å; Y250-Y254 HydrophobicContact CD2-CE2 4.12Å; Y250-Y254 HydrophobicContact CD2-CG 4.34Å; Y250-Y254 AromaticContact CE2-CD2 3.86Å; Y250-Y254 HydrophobicContact CE2-CD2 3.86Å; Y250-Y254 HydrophobicContact CE2-CE2 4.49Å; Y250-Y254 HydrophobicContact CE2-CG 4.23Å; Y250-Y254 HydrophobicContact CG-CD2 4.22Å; Y250-Y254 WeakPolarHBondContact O-CB 3.42Å; Y250-Y254 PolarHBondContact O-N 3.08Å; Y254-R257 PolarHBondContact O-N 3.46Å; Y254-I258 WeakPolarHBondContact O-CD1 3.46Å; Y254-I258 VanDerWaalsContact O-CG1 3.23Å; Y254-I258 WeakPolarHBondContact O-CG1 3.34Å; Y254-I258 PolarHBondContact O-N 2.8Å; Y254-I258 VanDerWaalsContact O-N 3.08Å |
| 255 | K | 73.4 | Confident | 73.6 | Confident | 121 Ų | 121 | 93.4 Ų | 93.4 | 53% | 0.526 | 44% | 0.437 | S | S | . | . | I | π-helix | trans | -71.1 | -49.9 | -174.6 | -162.6 | 174.8 | -179.1 | -179.7 | 0 | 111.7 | V251 R257 I258 D259 | V251-K255 HydrophobicContact CG1-CB 4.4Å; V251-K255 WeakPolarHBondContact O-CB 3.09Å; V251-K255 PolarHBondContact O-N 3.48Å; K255-R257 VanDerWaalsContact C-N 3.26Å; K255-R257 PolarHBondContact O-N 3.31Å; K255-I258 PolarHBondContact O-N 2.89Å; K255-I258 VanDerWaalsContact O-N 3.17Å; K255-D259 PolarHBondContact O-N 3.48Å |
| 256 | K | 71.6 | Confident | 72.6 | Confident | 120 Ų | 120 | 96.8 Ų | 96.8 | 52% | 0.522 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -59.8 | -35.2 | 175.7 | -70.7 | -172.4 | 179.4 | -179.9 | 0 | 112.7 | V251 D259 S260 | V251-K256 PolarHBondContact O-N 3.31Å; K256-D259 PolarHBondContact O-N 3.23Å; K256-S260 WeakPolarHBondContact O-CB 3.3Å; K256-S260 PolarHBondContact O-N 2.92Å; K256-S260 PolarHBondContact O-OG 3.25Å; K256-S260 VanDerWaalsContact O-OG 3.06Å |
| 257 | R | 67.9 | Low | 71.6 | Confident | 169 Ų | 169 | 101.2 Ų | 101.2 | 64% | 0.638 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -68.7 | -39.8 | 177.8 | -166 | 178.3 | -173.5 | -167.3 | 1.2 | 112.3 | T253 Y254 K255 Q261 | T253-R257 WeakPolarHBondContact O-CB 3.38Å; Y254-R257 PolarHBondContact O-N 3.46Å; K255-R257 VanDerWaalsContact C-N 3.26Å; K255-R257 PolarHBondContact O-N 3.31Å; R257-Q261 WeakPolarHBondContact O-CB 3.21Å; R257-Q261 VanDerWaalsContact O-CG 3.29Å; R257-Q261 WeakPolarHBondContact O-CG 3.33Å; R257-Q261 PolarHBondContact O-N 3.22Å |
| 258 | I | 70.5 | Confident | 70.5 | Confident | 81 Ų | 81 | 101.9 Ų | 101.9 | 42% | 0.415 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.9 | -43.9 | 174.7 | -68.8 | 164.6 | 0 | 0 | 0 | 110.2 | Y254 K255 Q261 K262 | Y254-I258 WeakPolarHBondContact O-CD1 3.46Å; Y254-I258 VanDerWaalsContact O-CG1 3.23Å; Y254-I258 WeakPolarHBondContact O-CG1 3.34Å; Y254-I258 PolarHBondContact O-N 2.8Å; Y254-I258 VanDerWaalsContact O-N 3.08Å; K255-I258 PolarHBondContact O-N 2.89Å; K255-I258 VanDerWaalsContact O-N 3.17Å; I258-Q261 PolarHBondContact O-N 2.64Å; I258-K262 VanDerWaalsContact O-CB 3.31Å; I258-K262 WeakPolarHBondContact O-CB 3.35Å; I258-K262 PolarHBondContact O-N 3.41Å |
| 259 | D | 69.6 | Low | 68.7 | Low | 77 Ų | 77 | 101.3 Ų | 101.3 | 41% | 0.412 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.5 | -40.1 | 179.6 | -66.1 | -23.4 | 0 | 0 | 0 | 111.8 | K255 K256 K262 K263 | K255-D259 PolarHBondContact O-N 3.48Å; K256-D259 PolarHBondContact O-N 3.23Å; D259-K262 PolarHBondContact O-N 2.49Å; D259-K263 WeakPolarHBondContact O-CB 3.31Å; D259-K263 WeakPolarHBondContact O-CG 3.36Å; D259-K263 PolarHBondContact O-N 2.65Å |
| 260 | S | 67 | Low | 66.8 | Low | 69 Ų | 69 | 103 Ų | 103 | 48% | 0.483 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.9 | -43.5 | 172.8 | -64.9 | 0 | 0 | 0 | 0 | 112.3 | K256 K262 K263 E264 | K256-S260 WeakPolarHBondContact O-CB 3.3Å; K256-S260 PolarHBondContact O-N 2.92Å; K256-S260 PolarHBondContact O-OG 3.25Å; K256-S260 VanDerWaalsContact O-OG 3.06Å; S260-K262 VanDerWaalsContact C-N 3.32Å; S260-K262 PolarHBondContact O-N 3.01Å; S260-K263 PolarHBondContact O-N 2.75Å; S260-E264 PolarHBondContact O-N 3.42Å |
| 261 | Q | 67.1 | Low | 65 | Low | 97 Ų | 97 | 104.7 Ų | 104.7 | 45% | 0.453 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66 | -34.1 | 176.2 | -76.3 | -178.9 | -1.5 | 0 | 0 | 112.5 | R257 I258 R265 | R257-Q261 WeakPolarHBondContact O-CB 3.21Å; R257-Q261 VanDerWaalsContact O-CG 3.29Å; R257-Q261 WeakPolarHBondContact O-CG 3.33Å; R257-Q261 PolarHBondContact O-N 3.22Å; I258-Q261 PolarHBondContact O-N 2.64Å; Q261-R265 WeakPolarHBondContact O-CB 3.37Å; Q261-R265 WeakPolarHBondContact O-CG 3.42Å; Q261-R265 PolarHBondContact O-N 3.34Å |
| 262 | K | 67.9 | Low | 63.1 | Low | 127 Ų | 127 | 106.4 Ų | 106.4 | 55% | 0.552 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -70 | -40.1 | 174.9 | -169.7 | 176 | 178.9 | -177 | 0 | 111.3 | I258 D259 S260 R265 Q266 | I258-K262 VanDerWaalsContact O-CB 3.31Å; I258-K262 WeakPolarHBondContact O-CB 3.35Å; I258-K262 PolarHBondContact O-N 3.41Å; D259-K262 PolarHBondContact O-N 2.49Å; S260-K262 VanDerWaalsContact C-N 3.32Å; S260-K262 PolarHBondContact O-N 3.01Å; K262-R265 PolarHBondContact O-N 3.29Å; K262-Q266 WeakPolarHBondContact O-CB 3.17Å; K262-Q266 PolarHBondContact O-N 2.98Å |
| 263 | K | 69.4 | Low | 61.4 | Low | 141 Ų | 141 | 106.1 Ų | 106.1 | 61% | 0.613 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -65.4 | -42.5 | 172.9 | -79.6 | -178.3 | 175.3 | -174.7 | 0 | 112.7 | D259 S260 Q266 N267 | D259-K263 WeakPolarHBondContact O-CB 3.31Å; D259-K263 WeakPolarHBondContact O-CG 3.36Å; D259-K263 PolarHBondContact O-N 2.65Å; S260-K263 PolarHBondContact O-N 2.75Å; K263-Q266 PolarHBondContact O-N 2.9Å; K263-N267 WeakPolarHBondContact O-CB 3.48Å; K263-N267 PolarHBondContact O-N 3.43Å |
| 264 | E | 67.1 | Low | 59.4 | Low | 145 Ų | 145 | 111.5 Ų | 111.5 | 68% | 0.678 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63.1 | -40.8 | 173.8 | -80.1 | 178.4 | 170.1 | 0 | 0 | 111.9 | S260 G268 | S260-E264 PolarHBondContact O-N 3.42Å; E264-G268 PolarHBondContact O-N 2.98Å |
| 265 | R | 64 | Low | 57.2 | Low | 206 Ų | 206 | 113.4 Ų | 113.4 | 78% | 0.777 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -65.9 | -36.6 | 174.4 | -79 | -177.1 | 177.5 | -158.5 | -0.6 | 112.9 | Q261 K262 S269 | Q261-R265 WeakPolarHBondContact O-CB 3.37Å; Q261-R265 WeakPolarHBondContact O-CG 3.42Å; Q261-R265 PolarHBondContact O-N 3.34Å; K262-R265 PolarHBondContact O-N 3.29Å; R265-S269 WeakPolarHBondContact O-CB 3.29Å; R265-S269 PolarHBondContact O-N 2.77Å |
| 266 | Q | 61.2 | Low | 55.2 | Low | 113 Ų | 113 | 117.3 Ų | 117.3 | 53% | 0.528 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -70.4 | -45.4 | 175.1 | -81.2 | 178.4 | -26.6 | 0 | 0 | 111.7 | K262 K263 G268 S269 S270 | K262-Q266 WeakPolarHBondContact O-CB 3.17Å; K262-Q266 PolarHBondContact O-N 2.98Å; K263-Q266 PolarHBondContact O-N 2.9Å; Q266-G268 PolarHBondContact O-N 3.46Å; Q266-S269 PolarHBondContact O-N 3Å; Q266-S270 PolarHBondContact O-N 3.04Å; Q266-S270 PolarHBondContact O-OG 3.24Å |
| 267 | N | 56.7 | Low | 53.2 | Low | 122 Ų | 122 | 116.1 Ų | 116.1 | 65% | 0.652 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -70.2 | -31.4 | 179.4 | -71.7 | 2 | 0 | 0 | 0 | 113 | K263 S269 | K263-N267 WeakPolarHBondContact O-CB 3.48Å; K263-N267 PolarHBondContact O-N 3.43Å; N267-S269 VanDerWaalsContact C-N 3.32Å |
| 268 | G | 53.1 | Low | 51.4 | Low | 58 Ų | 58 | 116.3 Ų | 116.3 | 60% | 0.598 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -74.8 | -20 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | E264 Q266 | E264-G268 PolarHBondContact O-N 2.98Å; Q266-G268 PolarHBondContact O-N 3.46Å |
| 269 | S | 46.4 | Very low | 49.4 | Very low | 89 Ų | 89 | 115.5 Ų | 115.5 | 62% | 0.622 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -84.9 | -21.2 | 175.4 | -162.5 | 0 | 0 | 0 | 0 | 112.8 | R265 Q266 N267 A271 | R265-S269 WeakPolarHBondContact O-CB 3.29Å; R265-S269 PolarHBondContact O-N 2.77Å; Q266-S269 PolarHBondContact O-N 3Å; N267-S269 VanDerWaalsContact C-N 3.32Å; S269-A271 VanDerWaalsContact C-N 3.33Å |
| 270 | S | 40.3 | Very low | 47.4 | Very low | 101 Ų | 101 | 119 Ų | 119 | 71% | 0.706 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | -3.1 | 178.1 | -62.2 | 0 | 0 | 0 | 0 | 114.5 | Q266 | Q266-S270 PolarHBondContact O-N 3.04Å; Q266-S270 PolarHBondContact O-OG 3.24Å |
| 271 | A | 40.6 | Very low | 46 | Very low | 91 Ų | 91 | 120.7 Ų | 120.7 | 75% | 0.752 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | 8.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | S269 | S269-A271 VanDerWaalsContact C-N 3.33Š|
| 272 | S | 40.8 | Very low | 44 | Very low | 100 Ų | 100 | 121.5 Ų | 121.5 | 70% | 0.699 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -113.1 | 6.8 | -175.2 | -173.9 | 0 | 0 | 0 | 0 | 115.6 | ||
| 273 | V | 42.8 | Very low | 42.5 | Very low | 114 Ų | 114 | 124.3 Ų | 124.3 | 69% | 0.691 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -138.9 | 88.8 | -179.4 | -171.6 | 0 | 0 | 0 | 0 | 110.6 | ||
| 274 | N | 33.5 | Very low | 40.6 | Very low | 163 Ų | 163 | 125.7 Ų | 125.7 | 87% | 0.872 | 76% | 0.761 | S | S | * | * | 168.9 | 123.2 | 128.8 | -85.5 | -22.1 | 0 | 0 | 0 | 112 | |||||
| 275 | G | 30.7 | Very low | 38.7 | Very low | 78 Ų | 78 | 129.8 Ų | 129.8 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | 132.7 | 95.8 | 156 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 276 | H | 31.4 | Very low | 37 | Very low | 202 Ų | 202 | 127 Ų | 127 | 94% | 0.935 | 78% | 0.776 | S | S | * | * | trans | -67.8 | 132.3 | 162.7 | -114 | 39.7 | 0 | 0 | 0 | 111 | ||||
| 277 | A | 29.7 | Very low | 35.5 | Very low | 95 Ų | 95 | 125.8 Ų | 125.8 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | -178.8 | 117.6 | 134.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 278 | N | 30.6 | Very low | 34.3 | Very low | 173 Ų | 173 | 125.9 Ų | 125.9 | 93% | 0.925 | 79% | 0.793 | S | S | * | * | trans | 23.4 | 130 | 152.5 | -69.8 | -12.1 | 0 | 0 | 0 | 122.4 | ||||
| 279 | G | 27.9 | Very low | 33.4 | Very low | 64 Ų | 64 | 134.7 Ų | 134.7 | 66% | 0.66 | 81% | 0.808 | S | S | * | * | trans | 139.7 | 99.9 | 139.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 280 | T | 26.6 | Very low | 32.5 | Very low | 151 Ų | 151 | 140.1 Ų | 140.1 | 93% | 0.926 | 82% | 0.82 | S | S | * | * | trans | 63.9 | 137.7 | 148.8 | 46.9 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 281 | A | 38 | Very low | 32.3 | Very low | 104 Ų | 104 | 143 Ų | 143 | 86% | 0.86 | 83% | 0.827 | S | S | * | * | trans | -67.8 | 144.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 282 | S | 25.6 | Very low | 31.9 | Very low | 114 Ų | 114 | 150.3 Ų | 150.3 | 80% | 0.797 | 84% | 0.835 | S | S | * | * | trans | -152 | 131 | 141.1 | -170.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 283 | M | 37.1 | Very low | 31.3 | Very low | 186 Ų | 186 | 150.9 Ų | 150.9 | 92% | 0.916 | 84% | 0.835 | S | S | * | * | trans | -79.4 | 118.2 | 178.2 | -137.7 | 168.3 | 78.4 | 0 | 0 | 108.2 | ||||
| 284 | E | 27.9 | Very low | 31.2 | Very low | 170 Ų | 170 | 156.1 Ų | 156.1 | 79% | 0.794 | 86% | 0.859 | S | S | * | * | trans | -151 | 100.9 | 162.6 | -132.3 | 168.9 | 176.9 | 0 | 0 | 115.4 | ||||
| 285 | R | 27.3 | Very low | 31.1 | Very low | 231 Ų | 231 | 155.8 Ų | 155.8 | 87% | 0.872 | 86% | 0.858 | S | S | * | * | trans | 39.8 | 101.6 | 143.2 | -65.6 | -179.9 | -177.3 | -166.9 | 1 | 118.9 | A287 | R285-A287 PolarHBondContact O-N 3.41Å; R285-A287 VanDerWaalsContact O-N 3.1Å | ||
| 286 | T | 29.9 | Very low | 31.1 | Very low | 147 Ų | 147 | 159.9 Ų | 159.9 | 90% | 0.902 | 86% | 0.861 | S | S | * | * | trans | -55.7 | 104.4 | 151.8 | -34.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 287 | A | 28.8 | Very low | 31.1 | Very low | 89 Ų | 89 | 157.6 Ų | 157.6 | 74% | 0.736 | 86% | 0.857 | S | S | * | * | trans | -84.5 | 130 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | R285 | R285-A287 PolarHBondContact O-N 3.41Å; R285-A287 VanDerWaalsContact O-N 3.1Å | ||
| 288 | P | 32.5 | Very low | 31.2 | Very low | 123 Ų | 123 | 161.2 Ų | 161.2 | 80% | 0.799 | 86% | 0.861 | S | S | * | * | trans | -76 | 142.4 | 179.1 | 29.8 | -31.6 | 0 | 0 | 0 | 111.7 | K290 | P288-K290 PolarHBondContact O-N 2.87Å; P288-K290 VanDerWaalsContact O-N 3.16Å | ||
| 289 | R | 32.8 | Very low | 31.2 | Very low | 244 Ų | 244 | 160.5 Ų | 160.5 | 92% | 0.921 | 86% | 0.857 | S | S | * | * | trans | -43.8 | 109.3 | 173.9 | -164.5 | 176.2 | -172.9 | 171.1 | 2.2 | 111.9 | L291 | R289-L291 PolarHBondContact O-N 3.38Å; R289-L291 VanDerWaalsContact O-N 3.11Å | ||
| 290 | K | 28.2 | Very low | 31.4 | Very low | 202 Ų | 202 | 166.9 Ų | 166.9 | 88% | 0.878 | 87% | 0.87 | S | S | * | * | trans | -55.8 | 112.8 | 169.4 | -101.2 | 178.4 | 174.8 | 178.4 | 0 | 110.1 | P288 R292 | P288-K290 PolarHBondContact O-N 2.87Å; P288-K290 VanDerWaalsContact O-N 3.16Å; K290-R292 PolarHBondContact O-N 3.35Å | ||
| 291 | L | 35.4 | Very low | 31.8 | Very low | 163 Ų | 163 | 168.1 Ų | 168.1 | 85% | 0.853 | 87% | 0.866 | S | S | * | * | trans | -61.1 | 117.5 | 156.5 | -98.2 | 126.3 | 0 | 0 | 0 | 107.6 | R289 V293 | R289-L291 PolarHBondContact O-N 3.38Å; R289-L291 VanDerWaalsContact O-N 3.11Å; L291-V293 PolarHBondContact O-N 2.87Å; L291-V293 VanDerWaalsContact O-N 3.11Å | ||
| 292 | R | 31.6 | Very low | 31.3 | Very low | 243 Ų | 243 | 173 Ų | 173 | 92% | 0.917 | 87% | 0.867 | S | S | * | * | trans | -74.9 | 100.3 | 175.3 | -163.4 | -179.1 | -134.2 | 140.3 | 1.3 | 108.4 | K290 | K290-R292 PolarHBondContact O-N 3.35Š| ||
| 293 | V | 30 | Very low | 31.8 | Very low | 113 Ų | 113 | 177.9 Ų | 177.9 | 69% | 0.685 | 87% | 0.873 | S | S | * | * | trans | -85.5 | 127.7 | 156.4 | -175.2 | 0 | 0 | 0 | 0 | 106.1 | L291 | L291-V293 PolarHBondContact O-N 2.87Å; L291-V293 VanDerWaalsContact O-N 3.11Å | ||
| 294 | D | 40.1 | Very low | 31.3 | Very low | 224 Ų | 224 | 177.2 Ų | 177.2 | 100% | 1.198 | 87% | 0.869 | S | S | * | * | trans | 145.8 | 0 | 153.4 | -68.7 | -19 | 0 | 0 | 0 | 110.7 |
Retrieved 294 of 294 residues in 69.6 ms
(Link to these results)