| 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 | 52.3 | Low | 68.6 | Low | 185 Ų | 185 | 124.4 Ų | 124.4 | 91% | 0.911 | 62% | 0.622 | S | S | * | * | 0 | -85.3 | 0 | -63.2 | -63.4 | -86.2 | 0 | 0 | 113.4 | E4 R5 | M1-E4 PolarHBondContact N-OE2 3.3Å; M1-E4 PolarHBondContact O-N 2.9Å; M1-R5 PolarHBondContact O-N 3.07Å; M1-R5 VanDerWaalsContact O-N 3.07Å | |||
| 2 | E | 62.3 | Low | 68.9 | Low | 178 Ų | 178 | 122.3 Ų | 122.3 | 83% | 0.832 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -67.8 | -40.5 | -176.6 | -79.5 | -175.2 | 155.1 | 0 | 0 | 114.3 | E4 R5 A6 | E2-E4 PolarHBondContact O-N 3.01Å; E2-R5 PolarHBondContact O-N 3.39Å; E2-A6 PolarHBondContact O-N 3.46Å |
| 3 | K | 66.4 | Low | 69.1 | Low | 188 Ų | 188 | 126.4 Ų | 126.4 | 82% | 0.817 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -63.2 | -37.1 | 174.5 | -91.4 | -176.3 | 173.9 | 179.5 | 0 | 113.5 | A6 N7 | K3-A6 PolarHBondContact O-N 3.01Å; K3-N7 PolarHBondContact O-N 3.46Å |
| 4 | E | 65.1 | Low | 69.5 | Low | 129 Ų | 129 | 126.6 Ų | 126.6 | 60% | 0.603 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -68.9 | -39.7 | 175.6 | -79.2 | 167.3 | 132 | 0 | 0 | 111.7 | M1 E2 A6 N7 V8 | M1-E4 PolarHBondContact N-OE2 3.3Å; M1-E4 PolarHBondContact O-N 2.9Å; E2-E4 PolarHBondContact O-N 3.01Å; E4-A6 VanDerWaalsContact C-N 3.29Å; E4-A6 PolarHBondContact O-N 3.43Å; E4-N7 PolarHBondContact O-N 3.01Å; E4-V8 WeakPolarHBondContact O-CG2 3.44Å; E4-V8 PolarHBondContact O-N 2.86Å |
| 5 | R | 68.9 | Low | 69.5 | Low | 194 Ų | 194 | 125.3 Ų | 125.3 | 73% | 0.732 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -63.3 | -38.3 | 176.2 | -143.4 | 178.4 | -169.3 | 173.7 | 3 | 111.5 | M1 E2 L9 | M1-R5 PolarHBondContact O-N 3.07Å; M1-R5 VanDerWaalsContact O-N 3.07Å; E2-R5 PolarHBondContact O-N 3.39Å; R5-L9 WeakPolarHBondContact O-CB 3.4Å; R5-L9 PolarHBondContact O-N 3.22Å |
| 6 | A | 70.6 | Confident | 69.5 | Low | 58 Ų | 58 | 120.1 Ų | 120.1 | 48% | 0.479 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -64.9 | -43 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E2 K3 E4 L9 S10 | E2-A6 PolarHBondContact O-N 3.46Å; K3-A6 PolarHBondContact O-N 3.01Å; E4-A6 VanDerWaalsContact C-N 3.29Å; E4-A6 PolarHBondContact O-N 3.43Å; A6-L9 PolarHBondContact O-N 3.37Å; A6-S10 WeakPolarHBondContact O-CB 3.41Å; A6-S10 PolarHBondContact O-N 2.89Å |
| 7 | N | 74.2 | Confident | 69.7 | Low | 109 Ų | 109 | 122.8 Ų | 122.8 | 58% | 0.583 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -64.9 | -41.8 | 176 | -92.6 | 4.4 | 0 | 0 | 0 | 112.7 | K3 E4 S10 N11 | K3-N7 PolarHBondContact O-N 3.46Å; E4-N7 PolarHBondContact O-N 3.01Å; N7-S10 WeakPolarHBondContact O-CB 3.38Å; N7-S10 PolarHBondContact O-N 3.45Å; N7-N11 WeakPolarHBondContact O-CB 3.2Å; N7-N11 VanDerWaalsContact O-CG 3.29Å; N7-N11 PolarHBondContact O-N 2.87Å; N7-N11 PolarHBondContact O-OD1 2.8Å |
| 8 | V | 73.4 | Confident | 69.9 | Low | 82 Ų | 82 | 120.7 Ų | 120.7 | 50% | 0.497 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -65.5 | -40.8 | 176.6 | 174.3 | 0 | 0 | 0 | 0 | 110.9 | E4 S10 N11 I12 | E4-V8 WeakPolarHBondContact O-CG2 3.44Å; E4-V8 PolarHBondContact O-N 2.86Å; V8-S10 VanDerWaalsContact C-N 3.33Å; V8-S10 PolarHBondContact O-N 3.27Å; V8-N11 PolarHBondContact O-N 3.4Å; V8-I12 HydrophobicContact CG1-CD1 3.72Å; V8-I12 HydrophobicContact CG1-CG1 4.32Å; V8-I12 WeakPolarHBondContact O-CB 3.45Å; V8-I12 VanDerWaalsContact O-CG1 3.23Å; V8-I12 WeakPolarHBondContact O-CG1 3.5Å; V8-I12 PolarHBondContact O-N 3.44Å |
| 9 | L | 73.2 | Confident | 70.2 | Confident | 90 Ų | 90 | 117.6 Ų | 117.6 | 47% | 0.471 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.7 | -36.6 | 173.9 | -87 | 161.5 | 0 | 0 | 0 | 112.6 | R5 A6 R13 | R5-L9 WeakPolarHBondContact O-CB 3.4Å; R5-L9 PolarHBondContact O-N 3.22Å; A6-L9 PolarHBondContact O-N 3.37Å; L9-R13 WeakPolarHBondContact O-CB 3.23Å; L9-R13 VanDerWaalsContact O-CG 3.29Å; L9-R13 WeakPolarHBondContact O-CG 3.34Å; L9-R13 PolarHBondContact O-N 2.84Å |
| 10 | S | 73.7 | Confident | 70.5 | Confident | 56 Ų | 56 | 119 Ų | 119 | 39% | 0.392 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64.7 | -48.3 | 173.6 | -166.3 | 0 | 0 | 0 | 0 | 111 | A6 N7 V8 I12 R13 E14 | A6-S10 WeakPolarHBondContact O-CB 3.41Å; A6-S10 PolarHBondContact O-N 2.89Å; N7-S10 WeakPolarHBondContact O-CB 3.38Å; N7-S10 PolarHBondContact O-N 3.45Å; V8-S10 VanDerWaalsContact C-N 3.33Å; V8-S10 PolarHBondContact O-N 3.27Å; S10-I12 PolarHBondContact O-N 2.84Å; S10-R13 PolarHBondContact O-N 3.49Å; S10-R13 VanDerWaalsContact O-N 3.15Å; S10-E14 PolarHBondContact O-N 3.15Å |
| 11 | N | 75 | Confident | 71 | Confident | 99 Ų | 99 | 115.2 Ų | 115.2 | 53% | 0.529 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64 | -39.1 | 178.5 | -71.5 | -1.4 | 0 | 0 | 0 | 112 | N7 V8 E14 L15 | N7-N11 WeakPolarHBondContact O-CB 3.2Å; N7-N11 VanDerWaalsContact O-CG 3.29Å; N7-N11 PolarHBondContact O-N 2.87Å; N7-N11 PolarHBondContact O-OD1 2.8Å; V8-N11 PolarHBondContact O-N 3.4Å; N11-E14 PolarHBondContact O-N 2.94Å; N11-L15 WeakPolarHBondContact O-CB 3.29Å; N11-L15 PolarHBondContact O-N 3.5Å |
| 12 | I | 71.4 | Confident | 72.3 | Confident | 99 Ų | 99 | 110.3 Ų | 110.3 | 51% | 0.508 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.3 | -39.6 | 174.4 | -69.9 | 168.4 | 0 | 0 | 0 | 110.4 | V8 S10 L15 A16 | V8-I12 HydrophobicContact CG1-CD1 3.72Å; V8-I12 HydrophobicContact CG1-CG1 4.32Å; V8-I12 WeakPolarHBondContact O-CB 3.45Å; V8-I12 VanDerWaalsContact O-CG1 3.23Å; V8-I12 WeakPolarHBondContact O-CG1 3.5Å; V8-I12 PolarHBondContact O-N 3.44Å; S10-I12 PolarHBondContact O-N 2.84Å; I12-L15 PolarHBondContact O-N 3.18Å; I12-A16 WeakPolarHBondContact O-CB 3.11Å; I12-A16 PolarHBondContact O-N 2.81Å |
| 13 | R | 72 | Confident | 73.2 | Confident | 176 Ų | 176 | 107.2 Ų | 107.2 | 66% | 0.664 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.4 | -43.6 | 175.7 | -80.3 | 177.2 | 179.7 | 165.1 | 0.4 | 111.9 | L9 S10 A16 F17 | L9-R13 WeakPolarHBondContact O-CB 3.23Å; L9-R13 VanDerWaalsContact O-CG 3.29Å; L9-R13 WeakPolarHBondContact O-CG 3.34Å; L9-R13 PolarHBondContact O-N 2.84Å; S10-R13 PolarHBondContact O-N 3.49Å; S10-R13 VanDerWaalsContact O-N 3.15Å; R13-A16 PolarHBondContact O-N 3.08Å; R13-F17 WeakPolarHBondContact O-CB 3.26Å; R13-F17 PolarHBondContact O-N 3.48Å |
| 14 | E | 75 | Confident | 73.9 | Confident | 129 Ų | 129 | 102.5 Ų | 102.5 | 60% | 0.603 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.4 | -43 | 174.6 | -85.2 | -174.3 | 159.9 | 0 | 0 | 111.4 | S10 N11 F17 S18 | S10-E14 PolarHBondContact O-N 3.15Å; N11-E14 PolarHBondContact O-N 2.94Å; E14-F17 PolarHBondContact O-N 3.01Å; E14-S18 VanDerWaalsContact O-CB 3.26Å; E14-S18 WeakPolarHBondContact O-CB 3.33Å; E14-S18 PolarHBondContact O-N 3.18Å; E14-S18 PolarHBondContact O-OG 3.3Å |
| 15 | L | 69.5 | Low | 74.8 | Confident | 107 Ų | 107 | 106 Ų | 106 | 56% | 0.56 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -67.2 | -37.5 | 177.2 | -163.8 | 76.2 | 0 | 0 | 0 | 112 | N11 I12 S18 N19 | N11-L15 WeakPolarHBondContact O-CB 3.29Å; N11-L15 PolarHBondContact O-N 3.5Å; I12-L15 PolarHBondContact O-N 3.18Å; L15-S18 WeakPolarHBondContact CA-OG 3.35Å; L15-S18 PolarHBondContact O-OG 2.73Å; L15-N19 VanDerWaalsContact O-CB 3.31Å; L15-N19 WeakPolarHBondContact O-CB 3.48Å; L15-N19 PolarHBondContact O-N 3.39Å; L15-N19 VanDerWaalsContact O-N 3.08Å; L15-N19 PolarHBondContact O-ND2 3.07Å |
| 16 | A | 69.6 | Low | 75.5 | Confident | 42 Ų | 42 | 100.9 Ų | 100.9 | 35% | 0.347 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -68.4 | -37.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I12 R13 Y20 | I12-A16 WeakPolarHBondContact O-CB 3.11Å; I12-A16 PolarHBondContact O-N 2.81Å; R13-A16 PolarHBondContact O-N 3.08Å; A16-Y20 VanDerWaalsContact O-CA 3.23Å; A16-Y20 WeakPolarHBondContact O-CA 3.22Å; A16-Y20 VanDerWaalsContact O-CB 3.22Å; A16-Y20 WeakPolarHBondContact O-CB 3.23Å; A16-Y20 PolarHBondContact O-N 3.44Å |
| 17 | F | 71.5 | Confident | 76.2 | Confident | 167 Ų | 167 | 102.7 Ų | 102.7 | 73% | 0.732 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -73 | -40.9 | 175.1 | -113.9 | -84 | 0 | 0 | 0 | 112.2 | R13 E14 N19 Y20 | R13-F17 WeakPolarHBondContact O-CB 3.26Å; R13-F17 PolarHBondContact O-N 3.48Å; E14-F17 PolarHBondContact O-N 3.01Å; F17-N19 VanDerWaalsContact C-N 3.28Å; F17-N19 PolarHBondContact O-N 2.79Å; F17-Y20 VanDerWaalsContact O-CD1 3.27Å; F17-Y20 WeakPolarHBondContact O-CD1 3.31Å |
| 18 | S | 74.2 | Confident | 76.8 | Confident | 84 Ų | 84 | 105.3 Ų | 105.3 | 59% | 0.587 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -69.4 | -30.5 | -179.8 | 70.4 | 0 | 0 | 0 | 0 | 111.6 | E14 L15 | E14-S18 VanDerWaalsContact O-CB 3.26Å; E14-S18 WeakPolarHBondContact O-CB 3.33Å; E14-S18 PolarHBondContact O-N 3.18Å; E14-S18 PolarHBondContact O-OG 3.3Å; L15-S18 WeakPolarHBondContact CA-OG 3.35Å; L15-S18 PolarHBondContact O-OG 2.73Å |
| 19 | N | 74.7 | Confident | 77.3 | Confident | 63 Ų | 63 | 104.6 Ų | 104.6 | 34% | 0.337 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | 15.6 | -177.3 | -60.8 | -70.5 | 0 | 0 | 0 | 113.7 | L15 F17 G21 T22 F23 | L15-N19 VanDerWaalsContact O-CB 3.31Å; L15-N19 WeakPolarHBondContact O-CB 3.48Å; L15-N19 PolarHBondContact O-N 3.39Å; L15-N19 VanDerWaalsContact O-N 3.08Å; L15-N19 PolarHBondContact O-ND2 3.07Å; F17-N19 VanDerWaalsContact C-N 3.28Å; F17-N19 PolarHBondContact O-N 2.79Å; N19-G21 PolarHBondContact O-N 2.94Å; N19-G21 VanDerWaalsContact O-N 3.16Å; N19-T22 WeakPolarHBondContact O-CA 3.46Å; N19-T22 WeakPolarHBondContact O-CB 3.24Å; N19-T22 PolarHBondContact O-N 2.93Å; N19-T22 PolarHBondContact O-OG1 3.16Å; N19-F23 HydrophobicContact CB-CD2 4.34Å; N19-F23 HydrophobicContact CB-CE2 4.07Å; N19-F23 VanDerWaalsContact O-CD2 3.24Å; N19-F23 WeakPolarHBondContact O-CD2 3.27Å; N19-F23 PolarHBondContact O-N 3.26Å |
| 20 | Y | 77 | Confident | 77.8 | Confident | 144 Ų | 144 | 103.8 Ų | 103.8 | 57% | 0.565 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -57.1 | -35.6 | -177.1 | 88.4 | -82.1 | 0 | 0 | 0 | 111.8 | A16 F17 T22 F23 I24 | A16-Y20 VanDerWaalsContact O-CA 3.23Å; A16-Y20 WeakPolarHBondContact O-CA 3.22Å; A16-Y20 VanDerWaalsContact O-CB 3.22Å; A16-Y20 WeakPolarHBondContact O-CB 3.23Å; A16-Y20 PolarHBondContact O-N 3.44Å; F17-Y20 VanDerWaalsContact O-CD1 3.27Å; F17-Y20 WeakPolarHBondContact O-CD1 3.31Å; Y20-T22 VanDerWaalsContact C-N 3.31Å; Y20-T22 PolarHBondContact O-N 3.42Å; Y20-F23 PolarHBondContact O-N 2.79Å; Y20-I24 HydrophobicContact CD2-CD1 3.6Å; Y20-I24 HydrophobicContact CD2-CG1 4.39Å; Y20-I24 HydrophobicContact CE2-CD1 3.87Å; Y20-I24 WeakPolarHBondContact O-CG1 3.3Å; Y20-I24 PolarHBondContact O-N 2.93Å |
| 21 | G | 81.5 | Confident | 78.5 | Confident | 41 Ų | 41 | 106.7 Ų | 106.7 | 42% | 0.423 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.2 | -36.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | N19 R25 | N19-G21 PolarHBondContact O-N 2.94Å; N19-G21 VanDerWaalsContact O-N 3.16Å; G21-R25 VanDerWaalsContact O-CB 3.3Å; G21-R25 WeakPolarHBondContact O-CB 3.21Å; G21-R25 PolarHBondContact O-N 3.46Å |
| 22 | T | 79.2 | Confident | 79.2 | Confident | 81 Ų | 81 | 106.2 Ų | 106.2 | 50% | 0.497 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.1 | -45.1 | 174 | -27.4 | 0 | 0 | 0 | 0 | 110.2 | N19 Y20 R25 T26 | N19-T22 WeakPolarHBondContact O-CA 3.46Å; N19-T22 WeakPolarHBondContact O-CB 3.24Å; N19-T22 PolarHBondContact O-N 2.93Å; N19-T22 PolarHBondContact O-OG1 3.16Å; Y20-T22 VanDerWaalsContact C-N 3.31Å; Y20-T22 PolarHBondContact O-N 3.42Å; T22-R25 PolarHBondContact O-N 3.24Å; T22-T26 WeakPolarHBondContact O-CB 3.43Å; T22-T26 PolarHBondContact O-N 2.82Å; T22-T26 PolarHBondContact O-OG1 3.39Å |
| 23 | F | 81.1 | Confident | 79.9 | Confident | 113 Ų | 113 | 105 Ų | 105 | 50% | 0.496 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.3 | -45.1 | 176.1 | -70.8 | -67.2 | 0 | 0 | 0 | 112.5 | N19 Y20 R25 T26 I27 | N19-F23 HydrophobicContact CB-CD2 4.34Å; N19-F23 HydrophobicContact CB-CE2 4.07Å; N19-F23 VanDerWaalsContact O-CD2 3.24Å; N19-F23 WeakPolarHBondContact O-CD2 3.27Å; N19-F23 PolarHBondContact O-N 3.26Å; Y20-F23 PolarHBondContact O-N 2.79Å; F23-R25 VanDerWaalsContact C-N 3.33Å; F23-R25 PolarHBondContact O-N 2.98Å; F23-T26 PolarHBondContact O-N 3.22Å; F23-I27 WeakPolarHBondContact O-CB 3.42Å; F23-I27 WeakPolarHBondContact O-CG1 3.22Å; F23-I27 PolarHBondContact O-N 3.47Å |
| 24 | I | 80.8 | Confident | 80.7 | Confident | 90 Ų | 90 | 103.7 Ų | 103.7 | 46% | 0.462 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.2 | -42.3 | 175.9 | -69.1 | 178.1 | 0 | 0 | 0 | 110.4 | Y20 I27 R28 | Y20-I24 HydrophobicContact CD2-CD1 3.6Å; Y20-I24 HydrophobicContact CD2-CG1 4.39Å; Y20-I24 HydrophobicContact CE2-CD1 3.87Å; Y20-I24 WeakPolarHBondContact O-CG1 3.3Å; Y20-I24 PolarHBondContact O-N 2.93Å; I24-I27 PolarHBondContact O-N 3.3Å; I24-R28 HydrophobicContact CG2-CG 4.45Å; I24-R28 WeakPolarHBondContact O-CB 3.43Å; I24-R28 WeakPolarHBondContact O-CG 3.4Å; I24-R28 PolarHBondContact O-N 2.81Å |
| 25 | R | 83.4 | Confident | 81.4 | Confident | 201 Ų | 201 | 104.3 Ų | 104.3 | 76% | 0.758 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66.7 | -38.7 | 178.2 | -165.1 | 172.3 | -170.8 | 155.2 | 1.9 | 111.9 | G21 T22 F23 C29 | G21-R25 VanDerWaalsContact O-CB 3.3Å; G21-R25 WeakPolarHBondContact O-CB 3.21Å; G21-R25 PolarHBondContact O-N 3.46Å; T22-R25 PolarHBondContact O-N 3.24Å; F23-R25 VanDerWaalsContact C-N 3.33Å; F23-R25 PolarHBondContact O-N 2.98Å; R25-C29 WeakPolarHBondContact O-CB 3.44Å; R25-C29 PolarHBondContact O-N 3.36Å |
| 26 | T | 84 | Confident | 82.4 | Confident | 88 Ų | 88 | 107.6 Ų | 107.6 | 54% | 0.54 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.6 | -40.2 | 174.3 | -58.1 | 0 | 0 | 0 | 0 | 111.4 | T22 F23 C29 S30 | T22-T26 WeakPolarHBondContact O-CB 3.43Å; T22-T26 PolarHBondContact O-N 2.82Å; T22-T26 PolarHBondContact O-OG1 3.39Å; F23-T26 PolarHBondContact O-N 3.22Å; T26-C29 PolarHBondContact O-N 2.84Å; T26-S30 WeakPolarHBondContact O-CB 3.16Å; T26-S30 PolarHBondContact O-N 2.85Å |
| 27 | I | 85.6 | Confident | 83.3 | Confident | 96 Ų | 96 | 113.6 Ų | 113.6 | 49% | 0.492 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.6 | -49.7 | 175.1 | -69.5 | 164 | 0 | 0 | 0 | 110 | F23 I24 C29 S30 E31 | F23-I27 WeakPolarHBondContact O-CB 3.42Å; F23-I27 WeakPolarHBondContact O-CG1 3.22Å; F23-I27 PolarHBondContact O-N 3.47Å; I24-I27 PolarHBondContact O-N 3.3Å; I27-C29 VanDerWaalsContact C-N 3.33Å; I27-C29 PolarHBondContact O-N 3.18Å; I27-S30 CarbonylContact O-C 3Å; I27-S30 WeakPolarHBondContact O-CB 3.17Å; I27-S30 PolarHBondContact O-N 2.78Å; I27-S30 VanDerWaalsContact O-N 3.11Å; I27-E31 HydrophobicContact CG2-CG 4.41Å; I27-E31 WeakPolarHBondContact O-CG 3.47Å; I27-E31 PolarHBondContact O-N 3.11Å |
| 28 | R | 86.2 | Confident | 84.2 | Confident | 163 Ų | 163 | 109 Ų | 109 | 62% | 0.615 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -59.9 | -42.4 | 176.3 | -74.5 | -172.9 | 78.6 | -176.4 | 4.8 | 112.2 | I24 S30 E31 E32 | I24-R28 HydrophobicContact CG2-CG 4.45Å; I24-R28 WeakPolarHBondContact O-CB 3.43Å; I24-R28 WeakPolarHBondContact O-CG 3.4Å; I24-R28 PolarHBondContact O-N 2.81Å; R28-S30 VanDerWaalsContact C-N 3.34Å; R28-E31 PolarHBondContact O-N 2.86Å; R28-E32 PolarHBondContact O-N 2.84Å |
| 29 | C | 84.3 | Confident | 85 | Confident | 67 Ų | 67 | 106.4 Ų | 106.4 | 45% | 0.453 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.8 | -38.7 | 176.2 | -167.6 | 0 | 0 | 0 | 0 | 111.2 | R25 T26 I27 E32 V33 | R25-C29 WeakPolarHBondContact O-CB 3.44Å; R25-C29 PolarHBondContact O-N 3.36Å; T26-C29 PolarHBondContact O-N 2.84Å; I27-C29 VanDerWaalsContact C-N 3.33Å; I27-C29 PolarHBondContact O-N 3.18Å; C29-E32 PolarHBondContact O-N 2.88Å; C29-V33 WeakPolarHBondContact O-CB 3.39Å; C29-V33 WeakPolarHBondContact O-CG2 3.36Å; C29-V33 PolarHBondContact O-N 3.31Å |
| 30 | S | 84.9 | Confident | 85.8 | Confident | 74 Ų | 74 | 108 Ų | 108 | 52% | 0.517 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.8 | -36 | 174.3 | -175.1 | 0 | 0 | 0 | 0 | 112.3 | T26 I27 R28 K34 | T26-S30 WeakPolarHBondContact O-CB 3.16Å; T26-S30 PolarHBondContact O-N 2.85Å; I27-S30 CarbonylContact O-C 3Å; I27-S30 WeakPolarHBondContact O-CB 3.17Å; I27-S30 PolarHBondContact O-N 2.78Å; I27-S30 VanDerWaalsContact O-N 3.11Å; R28-S30 VanDerWaalsContact C-N 3.34Å; S30-K34 WeakPolarHBondContact O-CB 3.34Å; S30-K34 PolarHBondContact O-N 3.49Å |
| 31 | E | 88.2 | Confident | 86.4 | Confident | 117 Ų | 117 | 106.8 Ų | 106.8 | 55% | 0.547 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.9 | -47.3 | 174.9 | -75.4 | 174.2 | 164.8 | 0 | 0 | 110.7 | I27 R28 V33 K34 E35 | I27-E31 HydrophobicContact CG2-CG 4.41Å; I27-E31 WeakPolarHBondContact O-CG 3.47Å; I27-E31 PolarHBondContact O-N 3.11Å; R28-E31 PolarHBondContact O-N 2.86Å; E31-V33 VanDerWaalsContact C-N 3.34Å; E31-V33 PolarHBondContact O-N 2.83Å; E31-K34 PolarHBondContact O-N 2.93Å; E31-E35 WeakPolarHBondContact O-CB 3.44Å; E31-E35 PolarHBondContact O-N 3.43Å |
| 32 | E | 88.6 | Confident | 86.9 | Confident | 89 Ų | 89 | 109.6 Ų | 109.6 | 42% | 0.416 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.8 | -41.4 | 173.9 | -78.2 | -177.5 | -164.3 | 0 | 0 | 112.3 | R28 C29 K34 E35 R36 | R28-E32 PolarHBondContact O-N 2.84Å; C29-E32 PolarHBondContact O-N 2.88Å; E32-K34 VanDerWaalsContact C-N 3.34Å; E32-E35 PolarHBondContact O-N 3.49Å; E32-R36 WeakPolarHBondContact O-CB 3.4Å; E32-R36 WeakPolarHBondContact O-CG 3.18Å; E32-R36 PolarHBondContact O-N 2.89Å; E32-R36 IonicContact OE2-NH1 3.78Å |
| 33 | V | 87.3 | Confident | 87.5 | Confident | 74 Ų | 74 | 110.9 Ų | 110.9 | 45% | 0.448 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65 | -42.2 | 175.9 | 168 | 0 | 0 | 0 | 0 | 110 | C29 E31 R36 Y37 | C29-V33 WeakPolarHBondContact O-CB 3.39Å; C29-V33 WeakPolarHBondContact O-CG2 3.36Å; C29-V33 PolarHBondContact O-N 3.31Å; E31-V33 VanDerWaalsContact C-N 3.34Å; E31-V33 PolarHBondContact O-N 2.83Å; V33-R36 PolarHBondContact O-N 3.4Å; V33-Y37 WeakPolarHBondContact O-CB 3.45Å; V33-Y37 PolarHBondContact O-N 3.44Å |
| 34 | K | 89.2 | Confident | 88 | Confident | 147 Ų | 147 | 109.4 Ų | 109.4 | 64% | 0.639 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.1 | -43.5 | 178.1 | -170.6 | 178.4 | -178.2 | -176 | 0 | 111.3 | S30 E31 E32 Y37 T38 | S30-K34 WeakPolarHBondContact O-CB 3.34Å; S30-K34 PolarHBondContact O-N 3.49Å; E31-K34 PolarHBondContact O-N 2.93Å; E32-K34 VanDerWaalsContact C-N 3.34Å; K34-Y37 PolarHBondContact O-N 2.94Å; K34-T38 WeakPolarHBondContact O-CG2 3.41Å; K34-T38 PolarHBondContact O-N 3.12Å; K34-T38 PolarHBondContact O-OG1 2.89Å; K34-T38 VanDerWaalsContact O-OG1 3.12Å |
| 35 | E | 89.1 | Confident | 88.5 | Confident | 143 Ų | 143 | 109 Ų | 109 | 67% | 0.668 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.1 | -42 | 176.9 | -168.4 | 176.1 | -166.1 | 0 | 0 | 111.7 | E31 E32 Y37 T38 G39 | E31-E35 WeakPolarHBondContact O-CB 3.44Å; E31-E35 PolarHBondContact O-N 3.43Å; E32-E35 PolarHBondContact O-N 3.49Å; E35-Y37 VanDerWaalsContact C-N 3.35Å; E35-T38 WeakPolarHBondContact CA-OG1 3.27Å; E35-T38 PolarHBondContact O-N 2.82Å; E35-T38 PolarHBondContact O-OG1 2.86Å; E35-G39 PolarHBondContact O-N 3.21Å |
| 36 | R | 89.8 | Confident | 88.9 | Confident | 175 Ų | 175 | 105.5 Ų | 105.5 | 66% | 0.66 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.4 | -38.6 | 171.6 | -76.4 | -170.9 | -178.1 | 107.9 | 1.3 | 112.4 | E32 V33 G39 L40 | E32-R36 WeakPolarHBondContact O-CB 3.4Å; E32-R36 WeakPolarHBondContact O-CG 3.18Å; E32-R36 PolarHBondContact O-N 2.89Å; E32-R36 IonicContact OE2-NH1 3.78Å; V33-R36 PolarHBondContact O-N 3.4Å; R36-G39 PolarHBondContact O-N 3.44Å; R36-L40 WeakPolarHBondContact O-CB 3.42Å; R36-L40 PolarHBondContact O-N 2.93Å |
| 37 | Y | 89.6 | Confident | 89.4 | Confident | 169 Ų | 169 | 106.8 Ų | 106.8 | 66% | 0.663 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -68.5 | -38 | 178.7 | -130.6 | -85.6 | 0 | 0 | 0 | 111.6 | V33 K34 E35 H41 | V33-Y37 WeakPolarHBondContact O-CB 3.45Å; V33-Y37 PolarHBondContact O-N 3.44Å; K34-Y37 PolarHBondContact O-N 2.94Å; E35-Y37 VanDerWaalsContact C-N 3.35Å; Y37-H41 VanDerWaalsContact O-CB 3.27Å; Y37-H41 WeakPolarHBondContact O-CB 3.33Å; Y37-H41 PolarHBondContact O-N 2.81Å |
| 38 | T | 89.6 | Confident | 89.7 | Confident | 70 Ų | 70 | 106.7 Ų | 106.7 | 43% | 0.429 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.1 | -42.9 | 173.7 | 48.4 | 0 | 0 | 0 | 0 | 111 | K34 E35 L40 H41 D42 | K34-T38 WeakPolarHBondContact O-CG2 3.41Å; K34-T38 PolarHBondContact O-N 3.12Å; K34-T38 PolarHBondContact O-OG1 2.89Å; K34-T38 VanDerWaalsContact O-OG1 3.12Å; E35-T38 WeakPolarHBondContact CA-OG1 3.27Å; E35-T38 PolarHBondContact O-N 2.82Å; E35-T38 PolarHBondContact O-OG1 2.86Å; T38-L40 PolarHBondContact O-N 3.47Å; T38-H41 WeakPolarHBondContact O-CB 3.47Å; T38-H41 PolarHBondContact O-N 3.32Å; T38-D42 VanDerWaalsContact O-CG 3.26Å; T38-D42 PolarHBondContact O-N 2.9Å |
| 39 | G | 92.2 | Very high | 90 | Very high | 30 Ų | 30 | 104.7 Ų | 104.7 | 31% | 0.309 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.4 | -43.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E35 R36 H41 D42 D43 | E35-G39 PolarHBondContact O-N 3.21Å; R36-G39 PolarHBondContact O-N 3.44Å; G39-H41 VanDerWaalsContact C-N 3.31Å; G39-H41 PolarHBondContact O-N 3.43Å; G39-D42 PolarHBondContact O-N 3.17Å; G39-D43 PolarHBondContact O-N 3.5Å |
| 40 | L | 89.7 | Confident | 90.5 | Very high | 97 Ų | 97 | 106.2 Ų | 106.2 | 51% | 0.508 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.8 | -37.4 | 175 | -163.5 | 88.7 | 0 | 0 | 0 | 111.7 | R36 T38 D43 I44 | R36-L40 WeakPolarHBondContact O-CB 3.42Å; R36-L40 PolarHBondContact O-N 2.93Å; T38-L40 PolarHBondContact O-N 3.47Å; L40-D43 PolarHBondContact O-N 2.87Å; L40-I44 HydrophobicContact CD2-CD1 4.08Å; L40-I44 HydrophobicContact CG-CD1 4.06Å; L40-I44 WeakPolarHBondContact O-CB 3.34Å; L40-I44 WeakPolarHBondContact O-CD1 3.35Å; L40-I44 WeakPolarHBondContact O-CG1 3.33Å; L40-I44 PolarHBondContact O-N 2.94Å |
| 41 | H | 90.2 | Very high | 90.9 | Very high | 118 Ų | 118 | 108.4 Ų | 108.4 | 55% | 0.546 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.3 | -45.2 | 176.4 | -170.2 | 70.5 | 0 | 0 | 0 | 111.2 | Y37 T38 G39 I44 E45 | Y37-H41 VanDerWaalsContact O-CB 3.27Å; Y37-H41 WeakPolarHBondContact O-CB 3.33Å; Y37-H41 PolarHBondContact O-N 2.81Å; T38-H41 WeakPolarHBondContact O-CB 3.47Å; T38-H41 PolarHBondContact O-N 3.32Å; G39-H41 VanDerWaalsContact C-N 3.31Å; G39-H41 PolarHBondContact O-N 3.43Å; H41-I44 PolarHBondContact O-N 2.87Å; H41-E45 WeakPolarHBondContact O-CB 3.19Å; H41-E45 PolarHBondContact O-N 3.33Å |
| 42 | D | 91.2 | Very high | 91.1 | Very high | 99 Ų | 99 | 110.3 Ų | 110.3 | 53% | 0.529 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.7 | -41.8 | 177.3 | -66.2 | -18.5 | 0 | 0 | 0 | 111.4 | T38 G39 E45 K46 | T38-D42 VanDerWaalsContact O-CG 3.26Å; T38-D42 PolarHBondContact O-N 2.9Å; G39-D42 PolarHBondContact O-N 3.17Å; D42-E45 PolarHBondContact O-N 2.88Å; D42-K46 WeakPolarHBondContact O-CB 3.4Å; D42-K46 PolarHBondContact O-N 3.32Å |
| 43 | D | 92.5 | Very high | 91.2 | Very high | 109 Ų | 109 | 109.6 Ų | 109.6 | 58% | 0.583 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.4 | -41.8 | 175.8 | -77.5 | -21.4 | 0 | 0 | 0 | 112 | G39 L40 K46 L47 | G39-D43 PolarHBondContact O-N 3.5Å; L40-D43 PolarHBondContact O-N 2.87Å; D43-K46 PolarHBondContact O-N 3Å; D43-L47 WeakPolarHBondContact O-CB 3.45Å; D43-L47 PolarHBondContact O-N 2.83Å |
| 44 | I | 91.2 | Very high | 91.5 | Very high | 82 Ų | 82 | 110.4 Ų | 110.4 | 42% | 0.421 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.4 | -41.1 | 175.3 | -71.5 | 166.9 | 0 | 0 | 0 | 110.4 | L40 H41 K46 L47 M48 | L40-I44 HydrophobicContact CD2-CD1 4.08Å; L40-I44 HydrophobicContact CG-CD1 4.06Å; L40-I44 WeakPolarHBondContact O-CB 3.34Å; L40-I44 WeakPolarHBondContact O-CD1 3.35Å; L40-I44 WeakPolarHBondContact O-CG1 3.33Å; L40-I44 PolarHBondContact O-N 2.94Å; H41-I44 PolarHBondContact O-N 2.87Å; I44-K46 VanDerWaalsContact C-N 3.33Å; I44-K46 PolarHBondContact O-N 2.83Å; I44-L47 PolarHBondContact O-N 3.38Å; I44-M48 HydrophobicContact CG2-CG 4.42Å; I44-M48 HydrophobicContact CG2-SD 4.27Å; I44-M48 WeakPolarHBondContact O-CB 3.31Å; I44-M48 WeakPolarHBondContact O-CG 3.38Å; I44-M48 PolarHBondContact O-N 3.5Å |
| 45 | E | 91.8 | Very high | 91.6 | Very high | 82 Ų | 82 | 109.8 Ų | 109.8 | 38% | 0.383 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.1 | -38.7 | 178.4 | -156 | -167.9 | 145 | 0 | 0 | 111.2 | H41 D42 M48 K49 | H41-E45 WeakPolarHBondContact O-CB 3.19Å; H41-E45 PolarHBondContact O-N 3.33Å; D42-E45 PolarHBondContact O-N 2.88Å; E45-M48 PolarHBondContact O-N 3.49Å; E45-K49 WeakPolarHBondContact O-CG 3.38Å; E45-K49 PolarHBondContact O-N 2.74Å; E45-K49 VanDerWaalsContact OE1-CE 3.31Å; E45-K49 WeakPolarHBondContact OE1-CE 3.34Å; E45-K49 IonicContact OE1-NZ 2.74Å; E45-K49 PolarHBondContact OE1-NZ 2.85Å |
| 46 | K | 92.5 | Very high | 91.8 | Very high | 127 Ų | 127 | 107.4 Ų | 107.4 | 55% | 0.552 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.7 | -47.4 | 173.4 | -171 | -178.9 | 176.4 | -171.8 | 0 | 111.6 | D42 D43 I44 M48 K49 E50 | D42-K46 WeakPolarHBondContact O-CB 3.4Å; D42-K46 PolarHBondContact O-N 3.32Å; D43-K46 PolarHBondContact O-N 3Å; I44-K46 VanDerWaalsContact C-N 3.33Å; I44-K46 PolarHBondContact O-N 2.83Å; K46-M48 VanDerWaalsContact C-N 3.3Å; K46-M48 PolarHBondContact O-N 3.39Å; K46-K49 WeakPolarHBondContact O-CB 3.27Å; K46-K49 PolarHBondContact O-N 3.45Å; K46-K49 VanDerWaalsContact O-N 3.12Å; K46-E50 VanDerWaalsContact CE-OE1 3.31Å; K46-E50 WeakPolarHBondContact CE-OE1 3.34Å; K46-E50 PolarHBondContact O-N 3.21Å |
| 47 | L | 92.9 | Very high | 91.9 | Very high | 114 Ų | 114 | 105.2 Ų | 105.2 | 60% | 0.597 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60 | -41 | 176.2 | -171.2 | 78.6 | 0 | 0 | 0 | 111.2 | D43 I44 K49 E50 L51 | D43-L47 WeakPolarHBondContact O-CB 3.45Å; D43-L47 PolarHBondContact O-N 2.83Å; I44-L47 PolarHBondContact O-N 3.38Å; L47-K49 VanDerWaalsContact C-N 3.34Å; L47-K49 PolarHBondContact O-N 3.49Å; L47-E50 PolarHBondContact O-N 3.39Å; L47-L51 VanDerWaalsContact O-CB 3.27Å; L47-L51 WeakPolarHBondContact O-CB 3.48Å; L47-L51 PolarHBondContact O-N 3.47Å |
| 48 | M | 93.2 | Very high | 92 | Very high | 95 Ų | 95 | 98.6 Ų | 98.6 | 47% | 0.468 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.1 | -37.5 | 175.6 | -81.1 | -174.7 | 51.8 | 0 | 0 | 112.6 | I44 E45 K46 R52 | I44-M48 HydrophobicContact CG2-CG 4.42Å; I44-M48 HydrophobicContact CG2-SD 4.27Å; I44-M48 WeakPolarHBondContact O-CB 3.31Å; I44-M48 WeakPolarHBondContact O-CG 3.38Å; I44-M48 PolarHBondContact O-N 3.5Å; E45-M48 PolarHBondContact O-N 3.49Å; K46-M48 VanDerWaalsContact C-N 3.3Å; K46-M48 PolarHBondContact O-N 3.39Å; M48-R52 VanDerWaalsContact O-CG 3.3Å; M48-R52 WeakPolarHBondContact O-CG 3.49Å; M48-R52 PolarHBondContact O-N 3.11Å; M48-R52 VanDerWaalsContact O-N 3.11Å |
| 49 | K | 92.2 | Very high | 92.1 | Very high | 120 Ų | 120 | 97.5 Ų | 97.5 | 52% | 0.522 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.2 | -46.8 | 174.5 | -75.8 | 170.2 | -174.1 | 159.9 | 0 | 111.1 | E45 K46 L47 L51 R52 T53 | E45-K49 WeakPolarHBondContact O-CG 3.38Å; E45-K49 PolarHBondContact O-N 2.74Å; E45-K49 VanDerWaalsContact OE1-CE 3.31Å; E45-K49 WeakPolarHBondContact OE1-CE 3.34Å; E45-K49 IonicContact OE1-NZ 2.74Å; E45-K49 PolarHBondContact OE1-NZ 2.85Å; K46-K49 WeakPolarHBondContact O-CB 3.27Å; K46-K49 PolarHBondContact O-N 3.45Å; K46-K49 VanDerWaalsContact O-N 3.12Å; L47-K49 VanDerWaalsContact C-N 3.34Å; L47-K49 PolarHBondContact O-N 3.49Å; K49-L51 PolarHBondContact O-N 2.91Å; K49-R52 PolarHBondContact O-N 3.44Å; K49-T53 PolarHBondContact O-N 2.85Å; K49-T53 PolarHBondContact O-OG1 3.4Å |
| 50 | E | 93.7 | Very high | 92.1 | Very high | 99 Ų | 99 | 102.1 Ų | 102.1 | 46% | 0.463 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.7 | -39.5 | 177.4 | -71.3 | 178.2 | -173.8 | 0 | 0 | 112.2 | K46 L47 R52 T53 V54 | K46-E50 VanDerWaalsContact CE-OE1 3.31Å; K46-E50 WeakPolarHBondContact CE-OE1 3.34Å; K46-E50 PolarHBondContact O-N 3.21Å; L47-E50 PolarHBondContact O-N 3.39Å; E50-R52 VanDerWaalsContact C-N 3.31Å; E50-R52 PolarHBondContact O-N 3.44Å; E50-T53 WeakPolarHBondContact CA-OG1 3.38Å; E50-T53 PolarHBondContact O-N 2.86Å; E50-T53 PolarHBondContact O-OG1 3.19Å; E50-V54 WeakPolarHBondContact O-CG2 3.35Å; E50-V54 PolarHBondContact O-N 3.43Å |
| 51 | L | 93.4 | Very high | 92.2 | Very high | 121 Ų | 121 | 104 Ų | 104 | 63% | 0.634 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.1 | -37.3 | 176.8 | -165.4 | 72.8 | 0 | 0 | 0 | 111.5 | L47 K49 Q55 | L47-L51 VanDerWaalsContact O-CB 3.27Å; L47-L51 WeakPolarHBondContact O-CB 3.48Å; L47-L51 PolarHBondContact O-N 3.47Å; K49-L51 PolarHBondContact O-N 2.91Å; L51-Q55 WeakPolarHBondContact O-CB 3.35Å; L51-Q55 PolarHBondContact O-N 3.25Å |
| 52 | R | 93.3 | Very high | 92.3 | Very high | 157 Ų | 157 | 103.3 Ų | 103.3 | 59% | 0.592 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67 | -42.4 | 174.3 | -75.5 | 178.1 | -177.4 | -152.5 | 2.5 | 112 | M48 K49 E50 V54 Q55 D56 | M48-R52 VanDerWaalsContact O-CG 3.3Å; M48-R52 WeakPolarHBondContact O-CG 3.49Å; M48-R52 PolarHBondContact O-N 3.11Å; M48-R52 VanDerWaalsContact O-N 3.11Å; K49-R52 PolarHBondContact O-N 3.44Å; E50-R52 VanDerWaalsContact C-N 3.31Å; E50-R52 PolarHBondContact O-N 3.44Å; R52-V54 VanDerWaalsContact C-N 3.34Å; R52-V54 PolarHBondContact O-N 3.01Å; R52-Q55 PolarHBondContact O-N 2.93Å; R52-D56 WeakPolarHBondContact O-CB 3.3Å; R52-D56 PolarHBondContact O-N 3.12Å |
| 53 | T | 91.6 | Very high | 92.4 | Very high | 74 Ų | 74 | 105.1 Ų | 105.1 | 45% | 0.454 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 175.8 | 50.8 | 0 | 0 | 0 | 0 | 111.6 | K49 E50 Q55 D56 E57 | K49-T53 PolarHBondContact O-N 2.85Å; K49-T53 PolarHBondContact O-OG1 3.4Å; E50-T53 WeakPolarHBondContact CA-OG1 3.38Å; E50-T53 PolarHBondContact O-N 2.86Å; E50-T53 PolarHBondContact O-OG1 3.19Å; T53-Q55 VanDerWaalsContact C-N 3.33Å; T53-Q55 PolarHBondContact O-N 3.47Å; T53-D56 PolarHBondContact O-N 2.87Å; T53-E57 WeakPolarHBondContact O-CB 3.38Å; T53-E57 WeakPolarHBondContact O-CG 3.34Å; T53-E57 PolarHBondContact O-N 3.45Å |
| 54 | V | 92.4 | Very high | 92.3 | Very high | 91 Ų | 91 | 103.7 Ų | 103.7 | 55% | 0.552 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.7 | -38.2 | 175 | 172.3 | 0 | 0 | 0 | 0 | 111.4 | E50 R52 G58 | E50-V54 WeakPolarHBondContact O-CG2 3.35Å; E50-V54 PolarHBondContact O-N 3.43Å; R52-V54 VanDerWaalsContact C-N 3.34Å; R52-V54 PolarHBondContact O-N 3.01Å; V54-G58 PolarHBondContact O-N 3.32Å |
| 55 | Q | 92.5 | Very high | 92.3 | Very high | 133 Ų | 133 | 105.2 Ų | 105.2 | 62% | 0.621 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.4 | -43 | 175.6 | -176.3 | 177.5 | 4.8 | 0 | 0 | 111.8 | L51 R52 T53 G58 S59 | L51-Q55 WeakPolarHBondContact O-CB 3.35Å; L51-Q55 PolarHBondContact O-N 3.25Å; R52-Q55 PolarHBondContact O-N 2.93Å; T53-Q55 VanDerWaalsContact C-N 3.33Å; T53-Q55 PolarHBondContact O-N 3.47Å; Q55-G58 PolarHBondContact O-N 2.81Å; Q55-S59 WeakPolarHBondContact O-CB 3.31Å; Q55-S59 PolarHBondContact O-N 2.92Å |
| 56 | D | 92 | Very high | 92.3 | Very high | 94 Ų | 94 | 107.3 Ų | 107.3 | 50% | 0.503 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.4 | -47.1 | 178.2 | -75.3 | -20.7 | 0 | 0 | 0 | 110.9 | R52 T53 G58 S59 Q60 | R52-D56 WeakPolarHBondContact O-CB 3.3Å; R52-D56 PolarHBondContact O-N 3.12Å; T53-D56 PolarHBondContact O-N 2.87Å; D56-G58 VanDerWaalsContact C-N 3.35Å; D56-G58 PolarHBondContact O-N 2.96Å; D56-S59 PolarHBondContact O-N 3.31Å; D56-S59 PolarHBondContact O-OG 3.47Å; D56-Q60 WeakPolarHBondContact O-CG 3.38Å; D56-Q60 PolarHBondContact O-N 2.9Å |
| 57 | E | 92.9 | Very high | 92.2 | Very high | 129 Ų | 129 | 106 Ų | 106 | 60% | 0.603 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.2 | -42.9 | 173.6 | -74.4 | 179.1 | -175.8 | 0 | 0 | 111.8 | T53 S59 Q60 F61 | T53-E57 WeakPolarHBondContact O-CB 3.38Å; T53-E57 WeakPolarHBondContact O-CG 3.34Å; T53-E57 PolarHBondContact O-N 3.45Å; E57-S59 VanDerWaalsContact C-N 3.33Å; E57-S59 PolarHBondContact O-N 2.73Å; E57-Q60 PolarHBondContact O-N 3.47Å; E57-F61 VanDerWaalsContact O-CB 3.31Å; E57-F61 WeakPolarHBondContact O-CB 3.41Å; E57-F61 PolarHBondContact O-N 2.93Å |
| 58 | G | 91.3 | Very high | 91.9 | Very high | 30 Ų | 30 | 106 Ų | 106 | 31% | 0.309 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.9 | -39.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V54 Q55 D56 F61 L62 | V54-G58 PolarHBondContact O-N 3.32Å; Q55-G58 PolarHBondContact O-N 2.81Å; D56-G58 VanDerWaalsContact C-N 3.35Å; D56-G58 PolarHBondContact O-N 2.96Å; G58-F61 PolarHBondContact O-N 2.77Å; G58-L62 WeakPolarHBondContact O-CB 3.43Å; G58-L62 VanDerWaalsContact O-CG 3.31Å; G58-L62 WeakPolarHBondContact O-CG 3.29Å; G58-L62 PolarHBondContact O-N 3.3Å |
| 59 | S | 90.8 | Very high | 91.7 | Very high | 46 Ų | 46 | 104.3 Ų | 104.3 | 32% | 0.322 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69.3 | -38.3 | 176.7 | 80.6 | 0 | 0 | 0 | 0 | 112.4 | Q55 D56 E57 L62 K63 | Q55-S59 WeakPolarHBondContact O-CB 3.31Å; Q55-S59 PolarHBondContact O-N 2.92Å; D56-S59 PolarHBondContact O-N 3.31Å; D56-S59 PolarHBondContact O-OG 3.47Å; E57-S59 VanDerWaalsContact C-N 3.33Å; E57-S59 PolarHBondContact O-N 2.73Å; S59-L62 PolarHBondContact O-N 3.06Å; S59-K63 WeakPolarHBondContact O-CG 3.5Å; S59-K63 PolarHBondContact O-N 3.5Å |
| 60 | Q | 92.3 | Very high | 91.7 | Very high | 127 Ų | 127 | 102.8 Ų | 102.8 | 59% | 0.593 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67.2 | -43.8 | 173.9 | -71.7 | -178.4 | 16.3 | 0 | 0 | 110.8 | D56 E57 L62 K63 T64 | D56-Q60 WeakPolarHBondContact O-CG 3.38Å; D56-Q60 PolarHBondContact O-N 2.9Å; E57-Q60 PolarHBondContact O-N 3.47Å; Q60-L62 VanDerWaalsContact C-N 3.34Å; Q60-L62 PolarHBondContact O-N 3.17Å; Q60-K63 PolarHBondContact O-N 3.24Å; Q60-T64 PolarHBondContact O-N 2.8Å; Q60-T64 PolarHBondContact O-OG1 3.31Å |
| 61 | F | 92.8 | Very high | 91.4 | Very high | 136 Ų | 136 | 103.4 Ų | 103.4 | 60% | 0.596 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -59.3 | -44.9 | 175 | 178.1 | -99.9 | 0 | 0 | 0 | 111.5 | E57 G58 K63 T64 F65 | E57-F61 VanDerWaalsContact O-CB 3.31Å; E57-F61 WeakPolarHBondContact O-CB 3.41Å; E57-F61 PolarHBondContact O-N 2.93Å; G58-F61 PolarHBondContact O-N 2.77Å; F61-K63 PolarHBondContact O-N 3.44Å; F61-T64 PolarHBondContact O-N 3.02Å; F61-F65 VanDerWaalsContact O-CB 3.24Å; F61-F65 WeakPolarHBondContact O-CB 3.31Å; F61-F65 PolarHBondContact O-N 3.49Å |
| 62 | L | 93 | Very high | 91.2 | Very high | 104 Ų | 104 | 106.6 Ų | 106.6 | 55% | 0.545 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.6 | -41.5 | 176.3 | -77.6 | 170.6 | 0 | 0 | 0 | 112.5 | G58 S59 Q60 F65 Q66 | G58-L62 WeakPolarHBondContact O-CB 3.43Å; G58-L62 VanDerWaalsContact O-CG 3.31Å; G58-L62 WeakPolarHBondContact O-CG 3.29Å; G58-L62 PolarHBondContact O-N 3.3Å; S59-L62 PolarHBondContact O-N 3.06Å; Q60-L62 VanDerWaalsContact C-N 3.34Å; Q60-L62 PolarHBondContact O-N 3.17Å; L62-F65 PolarHBondContact O-N 3.31Å; L62-Q66 WeakPolarHBondContact O-CB 3.44Å; L62-Q66 VanDerWaalsContact O-CG 3.29Å; L62-Q66 WeakPolarHBondContact O-CG 3.18Å; L62-Q66 PolarHBondContact O-N 3.46Å |
| 63 | K | 91.3 | Very high | 90.9 | Very high | 137 Ų | 137 | 102.5 Ų | 102.5 | 60% | 0.596 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.4 | -47.3 | 174.9 | -74.3 | 174.2 | -178.1 | 175.4 | 0 | 111.5 | S59 Q60 F61 F65 Q66 V67 | S59-K63 WeakPolarHBondContact O-CG 3.5Å; S59-K63 PolarHBondContact O-N 3.5Å; Q60-K63 PolarHBondContact O-N 3.24Å; F61-K63 PolarHBondContact O-N 3.44Å; K63-F65 VanDerWaalsContact C-N 3.35Å; K63-F65 PolarHBondContact O-N 2.93Å; K63-Q66 PolarHBondContact O-N 3.46Å; K63-V67 PolarHBondContact O-N 2.77Å; K63-V67 VanDerWaalsContact O-N 3.17Å |
| 64 | T | 91.1 | Very high | 90.8 | Very high | 80 Ų | 80 | 103.8 Ų | 103.8 | 49% | 0.491 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.2 | -42.2 | 177.6 | -54.7 | 0 | 0 | 0 | 0 | 111.2 | Q60 F61 Q66 V67 M68 | Q60-T64 PolarHBondContact O-N 2.8Å; Q60-T64 PolarHBondContact O-OG1 3.31Å; F61-T64 PolarHBondContact O-N 3.02Å; T64-Q66 VanDerWaalsContact C-N 3.35Å; T64-Q66 PolarHBondContact O-N 3.3Å; T64-V67 PolarHBondContact O-N 2.76Å; T64-M68 HydrophobicContact CG2-CG 4.42Å; T64-M68 HydrophobicContact CG2-SD 4.18Å; T64-M68 WeakPolarHBondContact O-CB 3.24Å; T64-M68 WeakPolarHBondContact O-CG 3.31Å; T64-M68 PolarHBondContact O-N 3.05Å |
| 65 | F | 91.9 | Very high | 90.5 | Very high | 114 Ų | 114 | 104.7 Ų | 104.7 | 50% | 0.5 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.7 | -40 | 176.8 | -178.1 | -97.1 | 0 | 0 | 0 | 112 | F61 L62 K63 M68 S69 | F61-F65 VanDerWaalsContact O-CB 3.24Å; F61-F65 WeakPolarHBondContact O-CB 3.31Å; F61-F65 PolarHBondContact O-N 3.49Å; L62-F65 PolarHBondContact O-N 3.31Å; K63-F65 VanDerWaalsContact C-N 3.35Å; K63-F65 PolarHBondContact O-N 2.93Å; F65-M68 PolarHBondContact O-N 3.24Å; F65-S69 WeakPolarHBondContact O-CB 3.33Å; F65-S69 PolarHBondContact O-N 3.29Å |
| 66 | Q | 90.8 | Very high | 90.2 | Very high | 126 Ų | 126 | 102.2 Ų | 102.2 | 59% | 0.589 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62 | -44.9 | 175.6 | -77.1 | 174.1 | -10.4 | 0 | 0 | 111.9 | L62 K63 T64 S69 V70 | L62-Q66 WeakPolarHBondContact O-CB 3.44Å; L62-Q66 VanDerWaalsContact O-CG 3.29Å; L62-Q66 WeakPolarHBondContact O-CG 3.18Å; L62-Q66 PolarHBondContact O-N 3.46Å; K63-Q66 PolarHBondContact O-N 3.46Å; T64-Q66 VanDerWaalsContact C-N 3.35Å; T64-Q66 PolarHBondContact O-N 3.3Å; Q66-S69 PolarHBondContact O-N 3.45Å; Q66-V70 WeakPolarHBondContact O-CG2 3.47Å; Q66-V70 PolarHBondContact O-N 2.9Å |
| 67 | V | 91 | Very high | 89.9 | Confident | 98 Ų | 98 | 100.6 Ų | 100.6 | 59% | 0.594 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.1 | -48.9 | 175.8 | 175.8 | 0 | 0 | 0 | 0 | 110.7 | K63 T64 S69 V70 E71 | K63-V67 PolarHBondContact O-N 2.77Å; K63-V67 VanDerWaalsContact O-N 3.17Å; T64-V67 PolarHBondContact O-N 2.76Å; V67-S69 VanDerWaalsContact C-N 3.27Å; V67-S69 PolarHBondContact O-N 3.41Å; V67-V70 PolarHBondContact O-N 2.94Å; V67-E71 PolarHBondContact O-N 3.33Å |
| 68 | M | 87.1 | Confident | 89.6 | Confident | 115 Ų | 115 | 96.9 Ų | 96.9 | 57% | 0.567 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.8 | -32.9 | 177.4 | -71 | -175.6 | 74.8 | 0 | 0 | 112.8 | T64 F65 R72 | T64-M68 HydrophobicContact CG2-CG 4.42Å; T64-M68 HydrophobicContact CG2-SD 4.18Å; T64-M68 WeakPolarHBondContact O-CB 3.24Å; T64-M68 WeakPolarHBondContact O-CG 3.31Å; T64-M68 PolarHBondContact O-N 3.05Å; F65-M68 PolarHBondContact O-N 3.24Å; M68-R72 WeakPolarHBondContact O-CB 3.43Å; M68-R72 PolarHBondContact O-N 2.93Å |
| 69 | S | 89.5 | Confident | 89.2 | Confident | 60 Ų | 60 | 102.8 Ų | 102.8 | 42% | 0.42 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68.7 | -42 | 177.2 | -175.4 | 0 | 0 | 0 | 0 | 111.3 | F65 Q66 V67 S73 | F65-S69 WeakPolarHBondContact O-CB 3.33Å; F65-S69 PolarHBondContact O-N 3.29Å; Q66-S69 PolarHBondContact O-N 3.45Å; V67-S69 VanDerWaalsContact C-N 3.27Å; V67-S69 PolarHBondContact O-N 3.41Å; S69-S73 WeakPolarHBondContact O-CB 3.17Å; S69-S73 PolarHBondContact O-N 2.82Å |
| 70 | V | 90.5 | Very high | 88.9 | Confident | 88 Ų | 88 | 106.1 Ų | 106.1 | 53% | 0.533 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.4 | -44.4 | 174.4 | 173.8 | 0 | 0 | 0 | 0 | 110.4 | Q66 V67 R72 S73 N74 | Q66-V70 WeakPolarHBondContact O-CG2 3.47Å; Q66-V70 PolarHBondContact O-N 2.9Å; V67-V70 PolarHBondContact O-N 2.94Å; V70-R72 PolarHBondContact O-N 3.45Å; V70-S73 WeakPolarHBondContact O-CB 3.35Å; V70-S73 PolarHBondContact O-N 2.93Å; V70-N74 VanDerWaalsContact O-CG 3.27Å; V70-N74 PolarHBondContact O-N 2.88Å |
| 71 | E | 88.9 | Confident | 88.4 | Confident | 112 Ų | 112 | 103.1 Ų | 103.1 | 52% | 0.523 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62 | -44.2 | 176.7 | -170 | 177.3 | -178.9 | 0 | 0 | 111.7 | V67 S73 N74 L75 | V67-E71 PolarHBondContact O-N 3.33Å; E71-S73 VanDerWaalsContact C-N 3.33Å; E71-S73 PolarHBondContact O-N 3.44Å; E71-N74 PolarHBondContact O-N 2.83Å; E71-L75 HydrophobicContact CG-CD1 4.31Å; E71-L75 WeakPolarHBondContact O-CB 3.39Å; E71-L75 WeakPolarHBondContact O-CG 3.37Å; E71-L75 PolarHBondContact O-N 2.97Å |
| 72 | R | 88.6 | Confident | 87.9 | Confident | 187 Ų | 187 | 100.3 Ų | 100.3 | 71% | 0.706 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.2 | -38.5 | 174.9 | -175.5 | 174.8 | 176.7 | 159.6 | -0.5 | 112.1 | M68 V70 N74 L75 T76 | M68-R72 WeakPolarHBondContact O-CB 3.43Å; M68-R72 PolarHBondContact O-N 2.93Å; V70-R72 PolarHBondContact O-N 3.45Å; R72-N74 VanDerWaalsContact C-N 3.35Å; R72-L75 PolarHBondContact O-N 2.9Å; R72-T76 WeakPolarHBondContact O-CB 3.38Å; R72-T76 WeakPolarHBondContact O-CG2 3.43Å; R72-T76 PolarHBondContact O-N 3.44Å; R72-T76 PolarHBondContact O-OG1 3.22Å |
| 73 | S | 86.8 | Confident | 87.5 | Confident | 71 Ų | 71 | 100.3 Ų | 100.3 | 50% | 0.497 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.7 | -42.8 | 173.3 | -170.1 | 0 | 0 | 0 | 0 | 111.2 | S69 V70 E71 T76 A77 | S69-S73 WeakPolarHBondContact O-CB 3.17Å; S69-S73 PolarHBondContact O-N 2.82Å; V70-S73 WeakPolarHBondContact O-CB 3.35Å; V70-S73 PolarHBondContact O-N 2.93Å; E71-S73 VanDerWaalsContact C-N 3.33Å; E71-S73 PolarHBondContact O-N 3.44Å; S73-T76 WeakPolarHBondContact CA-OG1 3.49Å; S73-T76 PolarHBondContact O-N 2.82Å; S73-T76 PolarHBondContact O-OG1 3.48Å; S73-A77 WeakPolarHBondContact O-CB 3.48Å; S73-A77 PolarHBondContact O-N 3.17Å |
| 74 | N | 88.4 | Confident | 87.2 | Confident | 102 Ų | 102 | 97.3 Ų | 97.3 | 55% | 0.545 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.6 | -40.9 | 176.8 | -68.7 | -16 | 0 | 0 | 0 | 111.9 | V70 E71 R72 A77 A78 | V70-N74 VanDerWaalsContact O-CG 3.27Å; V70-N74 PolarHBondContact O-N 2.88Å; E71-N74 PolarHBondContact O-N 2.83Å; R72-N74 VanDerWaalsContact C-N 3.35Å; N74-A77 PolarHBondContact O-N 2.72Å; N74-A78 WeakPolarHBondContact O-CB 3.36Å; N74-A78 PolarHBondContact O-N 3.48Å |
| 75 | L | 86.5 | Confident | 86.8 | Confident | 110 Ų | 110 | 96.3 Ų | 96.3 | 58% | 0.576 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.1 | -38.9 | 176.7 | -73.8 | 171.4 | 0 | 0 | 0 | 112.3 | E71 R72 A78 K79 | E71-L75 HydrophobicContact CG-CD1 4.31Å; E71-L75 WeakPolarHBondContact O-CB 3.39Å; E71-L75 WeakPolarHBondContact O-CG 3.37Å; E71-L75 PolarHBondContact O-N 2.97Å; R72-L75 PolarHBondContact O-N 2.9Å; L75-A78 PolarHBondContact O-N 3.47Å; L75-K79 WeakPolarHBondContact O-CB 3.45Å; L75-K79 PolarHBondContact O-N 3.44Å |
| 76 | T | 87.8 | Confident | 86.5 | Confident | 80 Ų | 80 | 97 Ų | 97 | 49% | 0.491 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69 | -41.4 | 175.9 | 44.8 | 0 | 0 | 0 | 0 | 111.8 | R72 S73 K79 H80 | R72-T76 WeakPolarHBondContact O-CB 3.38Å; R72-T76 WeakPolarHBondContact O-CG2 3.43Å; R72-T76 PolarHBondContact O-N 3.44Å; R72-T76 PolarHBondContact O-OG1 3.22Å; S73-T76 WeakPolarHBondContact CA-OG1 3.49Å; S73-T76 PolarHBondContact O-N 2.82Å; S73-T76 PolarHBondContact O-OG1 3.48Å; T76-K79 PolarHBondContact O-N 3.06Å; T76-H80 PolarHBondContact O-N 3.39Å |
| 77 | A | 85.9 | Confident | 86.2 | Confident | 60 Ų | 60 | 96.5 Ų | 96.5 | 50% | 0.496 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62 | -44.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S73 N74 K79 H80 S81 | S73-A77 WeakPolarHBondContact O-CB 3.48Å; S73-A77 PolarHBondContact O-N 3.17Å; N74-A77 PolarHBondContact O-N 2.72Å; A77-K79 PolarHBondContact O-N 3.44Å; A77-H80 PolarHBondContact O-N 2.88Å; A77-S81 WeakPolarHBondContact O-CB 3.43Å; A77-S81 PolarHBondContact O-N 2.8Å; A77-S81 PolarHBondContact O-OG 3.01Å |
| 78 | A | 84.5 | Confident | 85.9 | Confident | 51 Ų | 51 | 93.1 Ų | 93.1 | 42% | 0.421 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.9 | -43.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | N74 L75 H80 S81 S82 | N74-A78 WeakPolarHBondContact O-CB 3.36Å; N74-A78 PolarHBondContact O-N 3.48Å; L75-A78 PolarHBondContact O-N 3.47Å; A78-H80 PolarHBondContact O-N 2.87Å; A78-S81 WeakPolarHBondContact CA-OG 3.49Å; A78-S81 PolarHBondContact O-N 2.86Å; A78-S81 PolarHBondContact O-OG 3Å; A78-S82 PolarHBondContact O-N 3.41Å |
| 79 | K | 84.9 | Confident | 85.8 | Confident | 154 Ų | 154 | 92.2 Ų | 92.2 | 67% | 0.67 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -59.4 | -45.2 | 175.4 | -175.9 | 179.6 | 177.9 | -177.8 | 0 | 111.8 | L75 T76 A77 S82 | L75-K79 WeakPolarHBondContact O-CB 3.45Å; L75-K79 PolarHBondContact O-N 3.44Å; T76-K79 PolarHBondContact O-N 3.06Å; A77-K79 PolarHBondContact O-N 3.44Å; K79-S82 WeakPolarHBondContact O-CB 3.36Å; K79-S82 PolarHBondContact O-N 2.84Å |
| 80 | H | 84.2 | Confident | 85.8 | Confident | 117 Ų | 117 | 93.7 Ų | 93.7 | 54% | 0.542 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.5 | -44.5 | 177.7 | -164.6 | 56.5 | 0 | 0 | 0 | 111.5 | T76 A77 A78 S82 E83 D84 | T76-H80 PolarHBondContact O-N 3.39Å; A77-H80 PolarHBondContact O-N 2.88Å; A78-H80 PolarHBondContact O-N 2.87Å; H80-S82 PolarHBondContact O-N 3.44Å; H80-E83 WeakPolarHBondContact O-CB 3.22Å; H80-E83 PolarHBondContact O-N 3.06Å; H80-D84 PolarHBondContact O-N 3.26Å |
| 81 | S | 81.4 | Confident | 85.7 | Confident | 63 Ų | 63 | 90.1 Ų | 90.1 | 44% | 0.441 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.7 | -30.6 | 175.9 | 74.7 | 0 | 0 | 0 | 0 | 112.8 | A77 A78 E83 D84 V85 | A77-S81 WeakPolarHBondContact O-CB 3.43Å; A77-S81 PolarHBondContact O-N 2.8Å; A77-S81 PolarHBondContact O-OG 3.01Å; A78-S81 WeakPolarHBondContact CA-OG 3.49Å; A78-S81 PolarHBondContact O-N 2.86Å; A78-S81 PolarHBondContact O-OG 3Å; S81-E83 VanDerWaalsContact C-N 3.3Å; S81-E83 PolarHBondContact O-N 3.12Å; S81-D84 PolarHBondContact O-N 3.06Å; S81-V85 WeakPolarHBondContact O-CG2 3.18Å; S81-V85 PolarHBondContact O-N 3.45Å |
| 82 | S | 81.7 | Confident | 85.7 | Confident | 77 Ų | 77 | 86 Ų | 86 | 54% | 0.538 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65.7 | -30.8 | 176.5 | -175.6 | 0 | 0 | 0 | 0 | 112.7 | A78 K79 H80 K86 | A78-S82 PolarHBondContact O-N 3.41Å; K79-S82 WeakPolarHBondContact O-CB 3.36Å; K79-S82 PolarHBondContact O-N 2.84Å; H80-S82 PolarHBondContact O-N 3.44Å; S82-K86 PolarHBondContact O-N 3.26Å; S82-K86 VanDerWaalsContact O-N 3.12Å |
| 83 | E | 85.7 | Confident | 85.7 | Confident | 104 Ų | 104 | 79 Ų | 79 | 49% | 0.486 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -70.4 | -38.7 | 174.6 | -69.2 | -176 | 171.8 | 0 | 0 | 111.3 | H80 S81 K86 K87 | H80-E83 WeakPolarHBondContact O-CB 3.22Å; H80-E83 PolarHBondContact O-N 3.06Å; S81-E83 VanDerWaalsContact C-N 3.3Å; S81-E83 PolarHBondContact O-N 3.12Å; E83-K86 WeakPolarHBondContact O-CB 3.36Å; E83-K86 PolarHBondContact O-N 2.98Å; E83-K87 WeakPolarHBondContact O-CG 3.35Å; E83-K87 PolarHBondContact O-N 2.88Å |
| 84 | D | 84 | Confident | 85.9 | Confident | 75 Ų | 75 | 79.5 Ų | 79.5 | 40% | 0.401 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -70.1 | -37.2 | 178 | -67.2 | -28.7 | 0 | 0 | 0 | 112 | H80 S81 K86 K87 L88 | H80-D84 PolarHBondContact O-N 3.26Å; S81-D84 PolarHBondContact O-N 3.06Å; D84-K86 VanDerWaalsContact C-N 3.29Å; D84-K86 PolarHBondContact O-N 3.48Å; D84-K87 PolarHBondContact O-N 3.41Å; D84-K87 IonicContact OD1-NZ 2.77Å; D84-K87 PolarHBondContact OD1-NZ 3.22Å; D84-L88 PolarHBondContact O-N 2.87Å |
| 85 | V | 83.2 | Confident | 86 | Confident | 58 Ų | 58 | 74.7 Ų | 74.7 | 35% | 0.352 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61 | -39.2 | 170.3 | 171.8 | 0 | 0 | 0 | 0 | 111 | S81 L88 F89 | S81-V85 WeakPolarHBondContact O-CG2 3.18Å; S81-V85 PolarHBondContact O-N 3.45Å; V85-L88 WeakPolarHBondContact O-CB 3.39Å; V85-L88 PolarHBondContact O-N 3.29Å; V85-F89 HydrophobicContact CG1-CD2 3.91Å; V85-F89 HydrophobicContact CG1-CE2 3.49Å; V85-F89 VanDerWaalsContact CG1-CE2 3.49Å; V85-F89 WeakPolarHBondContact O-CD2 3.4Å; V85-F89 PolarHBondContact O-N 3.47Å; V85-F89 VanDerWaalsContact O-N 3.11Å |
| 86 | K | 84.8 | Confident | 86.2 | Confident | 130 Ų | 130 | 72.6 Ų | 72.6 | 57% | 0.565 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -63.5 | -44.9 | 175.5 | -169.8 | -172.5 | 177.6 | -160.8 | 0 | 112 | S82 E83 D84 L88 F89 E90 | S82-K86 PolarHBondContact O-N 3.26Å; S82-K86 VanDerWaalsContact O-N 3.12Å; E83-K86 WeakPolarHBondContact O-CB 3.36Å; E83-K86 PolarHBondContact O-N 2.98Å; D84-K86 VanDerWaalsContact C-N 3.29Å; D84-K86 PolarHBondContact O-N 3.48Å; K86-L88 PolarHBondContact O-N 2.94Å; K86-F89 PolarHBondContact O-N 3.24Å; K86-F89 VanDerWaalsContact O-N 3.12Å; K86-E90 WeakPolarHBondContact CE-OE1 3.44Å; K86-E90 IonicContact NZ-OE1 3.95Å; K86-E90 WeakPolarHBondContact O-CG 3.44Å; K86-E90 PolarHBondContact O-N 3.29Å |
| 87 | K | 85.3 | Confident | 86.3 | Confident | 115 Ų | 115 | 74.1 Ų | 74.1 | 50% | 0.5 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59.3 | -36.7 | 175.1 | -66.6 | 170.7 | -162.7 | 154.9 | 0 | 111.6 | E83 D84 E90 L91 | E83-K87 WeakPolarHBondContact O-CG 3.35Å; E83-K87 PolarHBondContact O-N 2.88Å; D84-K87 PolarHBondContact O-N 3.41Å; D84-K87 IonicContact OD1-NZ 2.77Å; D84-K87 PolarHBondContact OD1-NZ 3.22Å; K87-E90 PolarHBondContact O-N 3.3Å; K87-L91 PolarHBondContact O-N 3.46Å; K87-L91 VanDerWaalsContact O-N 3.11Å |
| 88 | L | 84.9 | Confident | 86.6 | Confident | 26 Ų | 26 | 71.8 Ų | 71.8 | 14% | 0.136 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.3 | -42.9 | 175.3 | -175.6 | 69.9 | 0 | 0 | 0 | 111.7 | D84 V85 K86 E90 L91 L117 I126 V127 V130 | D84-L88 PolarHBondContact O-N 2.87Å; V85-L88 WeakPolarHBondContact O-CB 3.39Å; V85-L88 PolarHBondContact O-N 3.29Å; K86-L88 PolarHBondContact O-N 2.94Å; L88-E90 VanDerWaalsContact C-N 3.35Å; L88-L91 WeakPolarHBondContact O-CB 3.39Å; L88-L91 PolarHBondContact O-N 3.19Å; L88-L117 HydrophobicContact CD1-CD1 3.82Å; L88-I126 HydrophobicContact CD2-CG2 4.43Å; L88-V127 HydrophobicContact CD2-CG2 3.99Å; L88-V130 HydrophobicContact CD1-CG1 4.09Å; L88-V130 HydrophobicContact CD2-CG2 4.4Å; L88-V130 HydrophobicContact CG-CB 4.36Å; L88-V130 HydrophobicContact CG-CG1 4.1Å; L88-V130 HydrophobicContact CG-CG2 4.14Å |
| 89 | F | 84.5 | Confident | 86.8 | Confident | 96 Ų | 96 | 69.5 Ų | 69.5 | 42% | 0.421 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66.8 | -35.6 | 174.1 | -73.9 | -64.6 | 0 | 0 | 0 | 112.8 | V85 K86 L91 S92 I126 V130 | V85-F89 HydrophobicContact CG1-CD2 3.91Å; V85-F89 HydrophobicContact CG1-CE2 3.49Å; V85-F89 VanDerWaalsContact CG1-CE2 3.49Å; V85-F89 WeakPolarHBondContact O-CD2 3.4Å; V85-F89 PolarHBondContact O-N 3.47Å; V85-F89 VanDerWaalsContact O-N 3.11Å; K86-F89 PolarHBondContact O-N 3.24Å; K86-F89 VanDerWaalsContact O-N 3.12Å; F89-L91 PolarHBondContact O-N 3.36Å; F89-S92 PolarHBondContact O-OG 3.33Å; F89-I126 HydrophobicContact CE1-CG2 3.84Å; F89-I126 HydrophobicContact CE2-CG2 4.04Å; F89-I126 HydrophobicContact CZ-CG2 3.39Å; F89-V130 HydrophobicContact CD1-CG2 3.97Å; F89-V130 HydrophobicContact CE1-CG2 4.18Å |
| 90 | E | 88.6 | Confident | 87 | Confident | 92 Ų | 92 | 69.6 Ų | 69.6 | 43% | 0.43 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.9 | -24 | 177.3 | -71.8 | 175.8 | -172 | 0 | 0 | 112.4 | K86 K87 L88 S92 S93 L94 | K86-E90 WeakPolarHBondContact CE-OE1 3.44Å; K86-E90 IonicContact NZ-OE1 3.95Å; K86-E90 WeakPolarHBondContact O-CG 3.44Å; K86-E90 PolarHBondContact O-N 3.29Å; K87-E90 PolarHBondContact O-N 3.3Å; L88-E90 VanDerWaalsContact C-N 3.35Å; E90-S92 PolarHBondContact O-N 3.22Å; E90-S93 PolarHBondContact O-N 2.93Å; E90-S93 PolarHBondContact O-OG 3.19Å; E90-L94 WeakPolarHBondContact O-CB 3.34Å; E90-L94 PolarHBondContact O-N 3.38Å |
| 91 | L | 89.3 | Confident | 87.2 | Confident | 12 Ų | 12 | 71.5 Ų | 71.5 | 6% | 0.063 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -54.5 | -46.5 | -177.6 | -171.4 | 61.6 | 0 | 0 | 0 | 113.1 | K87 L88 F89 L94 I95 L110 A114 | K87-L91 PolarHBondContact O-N 3.46Å; K87-L91 VanDerWaalsContact O-N 3.11Å; L88-L91 WeakPolarHBondContact O-CB 3.39Å; L88-L91 PolarHBondContact O-N 3.19Å; F89-L91 PolarHBondContact O-N 3.36Å; L91-L94 PolarHBondContact O-N 3.31Å; L91-I95 HydrophobicContact CD1-CD1 4.47Å; L91-I95 HydrophobicContact CG-CD1 4.14Å; L91-I95 WeakPolarHBondContact O-CD1 3.45Å; L91-I95 VanDerWaalsContact O-CG1 3.28Å; L91-I95 WeakPolarHBondContact O-CG1 3.35Å; L91-I95 PolarHBondContact O-N 3.01Å; L91-L110 HydrophobicContact CD1-CB 3.85Å; L91-L110 HydrophobicContact CD1-CD1 4.49Å; L91-L110 HydrophobicContact CD1-CD2 3.62Å; L91-L110 HydrophobicContact CD1-CG 4.17Å; L91-A114 HydrophobicContact CD2-CB 3.72Å |
| 92 | S | 87.9 | Confident | 87.3 | Confident | 26 Ų | 26 | 70.4 Ų | 70.4 | 18% | 0.182 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.9 | -45.4 | 179.7 | 60.1 | 0 | 0 | 0 | 0 | 111.4 | F89 E90 L94 I95 E96 | F89-S92 PolarHBondContact O-OG 3.33Å; E90-S92 PolarHBondContact O-N 3.22Å; S92-L94 VanDerWaalsContact C-N 3.31Å; S92-L94 PolarHBondContact O-N 3Å; S92-I95 PolarHBondContact O-N 3.17Å; S92-E96 PolarHBondContact O-N 2.96Å; S92-E96 VanDerWaalsContact O-N 3.07Å |
| 93 | S | 89.8 | Confident | 87.7 | Confident | 41 Ų | 41 | 70.9 Ų | 70.9 | 29% | 0.287 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -67.6 | -31.7 | 177.4 | 80.7 | 0 | 0 | 0 | 0 | 112.7 | E90 K97 | E90-S93 PolarHBondContact O-N 2.93Å; E90-S93 PolarHBondContact O-OG 3.19Å; S93-K97 VanDerWaalsContact O-CG 3.25Å; S93-K97 WeakPolarHBondContact O-CG 3.45Å; S93-K97 PolarHBondContact O-N 3.49Å |
| 94 | L | 91.2 | Very high | 87.9 | Confident | 81 Ų | 81 | 66.5 Ų | 66.5 | 42% | 0.424 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -71.2 | -44.2 | 178.4 | -173.4 | 65.3 | 0 | 0 | 0 | 110.3 | E90 L91 S92 E96 K97 C98 L110 | E90-L94 WeakPolarHBondContact O-CB 3.34Å; E90-L94 PolarHBondContact O-N 3.38Å; L91-L94 PolarHBondContact O-N 3.31Å; S92-L94 VanDerWaalsContact C-N 3.31Å; S92-L94 PolarHBondContact O-N 3Å; L94-E96 VanDerWaalsContact C-N 3.34Å; L94-E96 PolarHBondContact O-N 2.69Å; L94-K97 PolarHBondContact O-N 2.9Å; L94-C98 PolarHBondContact O-N 3.48Å; L94-C98 PolarHBondContact O-SG 2.92Å; L94-C98 VanDerWaalsContact O-SG 3.35Å; L94-L110 HydrophobicContact CB-CD1 4.28Å; L94-L110 HydrophobicContact CD2-CD1 3.62Å; L94-L110 HydrophobicContact CD2-CD2 4.2Å; L94-L110 HydrophobicContact CG-CD1 3.71Å |
| 95 | I | 90 | Very high | 88.1 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -57.4 | -50.5 | 173 | -67.4 | 160.9 | 0 | 0 | 0 | 109.4 | L91 S92 K97 C98 V99 A107 L110 I111 V134 Q137 | L91-I95 HydrophobicContact CD1-CD1 4.47Å; L91-I95 HydrophobicContact CG-CD1 4.14Å; L91-I95 WeakPolarHBondContact O-CD1 3.45Å; L91-I95 VanDerWaalsContact O-CG1 3.28Å; L91-I95 WeakPolarHBondContact O-CG1 3.35Å; L91-I95 PolarHBondContact O-N 3.01Å; S92-I95 PolarHBondContact O-N 3.17Å; I95-K97 VanDerWaalsContact C-N 3.28Å; I95-K97 PolarHBondContact O-N 2.96Å; I95-C98 WeakPolarHBondContact O-CB 3.41Å; I95-C98 PolarHBondContact O-N 3.38Å; I95-V99 HydrophobicContact CG2-CG2 4.12Å; I95-V99 VanDerWaalsContact O-CG2 3.31Å; I95-V99 WeakPolarHBondContact O-CG2 3.34Å; I95-V99 PolarHBondContact O-N 3.32Å; I95-A107 HydrophobicContact CG2-CB 4.36Å; I95-L110 HydrophobicContact CD1-CB 3.93Å; I95-L110 HydrophobicContact CG1-CB 3.49Å; I95-L110 VanDerWaalsContact CG1-CB 3.49Å; I95-L110 HydrophobicContact CG1-CD1 3.92Å; I95-L110 HydrophobicContact CG1-CG 4.38Å; I95-I111 HydrophobicContact CD1-CG1 3.99Å; I95-I111 HydrophobicContact CG1-CG1 4.44Å; I95-I111 HydrophobicContact CG2-CD1 4.19Å; I95-I111 HydrophobicContact CG2-CG1 4.11Å; I95-V134 HydrophobicContact CD1-CB 4.39Å; I95-V134 HydrophobicContact CD1-CG1 3.83Å; I95-V134 HydrophobicContact CD1-CG2 3.75Å; I95-Q137 HydrophobicContact CB-CB 4.39Å; I95-Q137 HydrophobicContact CG2-CB 3.68Å; I95-Q137 HydrophobicContact CG2-CG 4.36Å |
| 96 | E | 90.3 | Very high | 88.4 | Confident | 66 Ų | 66 | 68.9 Ų | 68.9 | 31% | 0.308 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -54.9 | -44 | 178.6 | -169.6 | -174.5 | 144.2 | 0 | 0 | 112.3 | S92 L94 V99 R100 | S92-E96 PolarHBondContact O-N 2.96Å; S92-E96 VanDerWaalsContact O-N 3.07Å; L94-E96 VanDerWaalsContact C-N 3.34Å; L94-E96 PolarHBondContact O-N 2.69Å; E96-V99 PolarHBondContact O-N 3Å; E96-R100 WeakPolarHBondContact O-CB 3.18Å; E96-R100 PolarHBondContact O-N 3.33Å; E96-R100 IonicContact OE1-CZ 2.66Å; E96-R100 IonicContact OE1-NH1 2.91Å; E96-R100 IonicContact OE1-NH2 3.11Å; E96-R100 PolarHBondContact OE1-NH2 3.25Å |
| 97 | K | 91.2 | Very high | 88.7 | Confident | 112 Ų | 112 | 62.7 Ų | 62.7 | 49% | 0.487 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.5 | -43.6 | 175.7 | -73.3 | 166.6 | -173.8 | 167.8 | 0 | 112 | S93 L94 I95 R100 K101 | S93-K97 VanDerWaalsContact O-CG 3.25Å; S93-K97 WeakPolarHBondContact O-CG 3.45Å; S93-K97 PolarHBondContact O-N 3.49Å; L94-K97 PolarHBondContact O-N 2.9Å; I95-K97 VanDerWaalsContact C-N 3.28Å; I95-K97 PolarHBondContact O-N 2.96Å; K97-R100 PolarHBondContact O-N 2.74Å; K97-K101 WeakPolarHBondContact O-CB 3.34Å; K97-K101 WeakPolarHBondContact O-CG 3.15Å; K97-K101 PolarHBondContact O-N 3.26Å |
| 98 | C | 91.6 | Very high | 88.8 | Confident | 12 Ų | 12 | 57.6 Ų | 57.6 | 8% | 0.081 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.3 | -45.6 | 176.8 | -71.6 | 0 | 0 | 0 | 0 | 111 | L94 I95 R100 K101 G102 H103 A107 | L94-C98 PolarHBondContact O-N 3.48Å; L94-C98 PolarHBondContact O-SG 2.92Å; L94-C98 VanDerWaalsContact O-SG 3.35Å; I95-C98 WeakPolarHBondContact O-CB 3.41Å; I95-C98 PolarHBondContact O-N 3.38Å; C98-R100 PolarHBondContact O-N 2.9Å; C98-K101 PolarHBondContact O-N 3.11Å; C98-G102 PolarHBondContact O-N 3.03Å; C98-G102 VanDerWaalsContact O-N 3.1Å; C98-H103 HydrophobicContact CB-CB 4.24Å; C98-H103 PolarHBondContact O-N 3.23Å; C98-A107 HydrophobicContact CB-CB 3.96Å |
| 99 | V | 89.4 | Confident | 89 | Confident | 2 Ų | 2 | 62.5 Ų | 62.5 | 1% | 0.012 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.8 | -46.3 | 176.8 | -179.1 | 0 | 0 | 0 | 0 | 110.7 | I95 E96 K101 G102 Y104 A107 Y140 L141 | I95-V99 HydrophobicContact CG2-CG2 4.12Å; I95-V99 VanDerWaalsContact O-CG2 3.31Å; I95-V99 WeakPolarHBondContact O-CG2 3.34Å; I95-V99 PolarHBondContact O-N 3.32Å; E96-V99 PolarHBondContact O-N 3Å; V99-K101 VanDerWaalsContact C-N 3.27Å; V99-K101 PolarHBondContact O-N 3.28Å; V99-G102 PolarHBondContact O-N 3.44Å; V99-Y104 HydrophobicContact CG1-CE1 4.06Å; V99-Y104 WeakPolarHBondContact O-CE1 3.46Å; V99-A107 HydrophobicContact CG2-CB 3.96Å; V99-Y140 HydrophobicContact CB-CD1 4.16Å; V99-Y140 HydrophobicContact CB-CE1 4.18Å; V99-Y140 HydrophobicContact CG1-CD1 3.57Å; V99-Y140 HydrophobicContact CG1-CE1 3.58Å; V99-L141 HydrophobicContact CB-CD1 4.46Å; V99-L141 HydrophobicContact CG1-CB 4.24Å; V99-L141 HydrophobicContact CG1-CD1 3.89Å; V99-L141 HydrophobicContact CG2-CB 3.95Å; V99-L141 HydrophobicContact CG2-CD1 3.95Å; V99-L141 HydrophobicContact CG2-CG 4.33Å |
| 100 | R | 88.5 | Confident | 89.3 | Confident | 156 Ų | 156 | 59.5 Ų | 59.5 | 59% | 0.589 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -62.8 | -32.6 | 178.8 | -171.7 | 178.7 | -64.8 | 137.2 | 6.1 | 113 | E96 K97 C98 G102 | E96-R100 WeakPolarHBondContact O-CB 3.18Å; E96-R100 PolarHBondContact O-N 3.33Å; E96-R100 IonicContact OE1-CZ 2.66Å; E96-R100 IonicContact OE1-NH1 2.91Å; E96-R100 IonicContact OE1-NH2 3.11Å; E96-R100 PolarHBondContact OE1-NH2 3.25Å; K97-R100 PolarHBondContact O-N 2.74Å; C98-R100 PolarHBondContact O-N 2.9Å; R100-G102 VanDerWaalsContact C-N 3.32Å |
| 101 | K | 88 | Confident | 89.4 | Confident | 158 Ų | 158 | 55.6 Ų | 55.6 | 69% | 0.687 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -82.9 | -5.4 | 176 | -71.2 | -178.6 | 178.4 | -174.3 | 0 | 113.8 | K97 C98 V99 H103 | K97-K101 WeakPolarHBondContact O-CB 3.34Å; K97-K101 WeakPolarHBondContact O-CG 3.15Å; K97-K101 PolarHBondContact O-N 3.26Å; C98-K101 PolarHBondContact O-N 3.11Å; V99-K101 VanDerWaalsContact C-N 3.27Å; V99-K101 PolarHBondContact O-N 3.28Å; K101-H103 VanDerWaalsContact C-N 3.28Å; K101-H103 PolarHBondContact O-CD2 3.12Å |
| 102 | G | 84.2 | Confident | 89.3 | Confident | 40 Ų | 40 | 59 Ų | 59 | 41% | 0.412 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | 12.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | C98 V99 R100 Y104 | C98-G102 PolarHBondContact O-N 3.03Å; C98-G102 VanDerWaalsContact O-N 3.1Å; V99-G102 PolarHBondContact O-N 3.44Å; R100-G102 VanDerWaalsContact C-N 3.32Å; G102-Y104 VanDerWaalsContact C-N 3.25Å; G102-Y104 PolarHBondContact O-N 3.44Å |
| 103 | H | 89.3 | Confident | 89.3 | Confident | 86 Ų | 86 | 61.8 Ų | 61.8 | 40% | 0.398 | 30% | 0.299 | S | S | . | . | trans | -83.6 | 69.8 | 177.4 | -67.1 | -163.2 | 0 | 0 | 0 | 110.4 | C98 K101 E106 A107 | C98-H103 HydrophobicContact CB-CB 4.24Å; C98-H103 PolarHBondContact O-N 3.23Å; K101-H103 VanDerWaalsContact C-N 3.28Å; K101-H103 PolarHBondContact O-CD2 3.12Å; H103-E106 HydrophobicContact CB-CB 4.39Å; H103-E106 HydrophobicContact CB-CG 4.43Å; H103-E106 WeakPolarHBondContact CB-OE2 3.49Å; H103-E106 IonicContact CG-OE1 3.09Å; H103-E106 IonicContact CG-OE2 2.86Å; H103-E106 IonicContact ND1-OE1 3.58Å; H103-E106 PolarHBondContact ND1-OE1 3.33Å; H103-E106 IonicContact ND1-OE2 3.14Å; H103-E106 PolarHBondContact ND1-OE2 3Å; H103-A107 PolarHBondContact O-N 3.31Å; H103-A107 VanDerWaalsContact O-N 3.15Å | ||
| 104 | Y | 89.3 | Confident | 89.3 | Confident | 12 Ų | 12 | 59.9 Ų | 59.9 | 5% | 0.047 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -71.2 | -34.9 | -171.2 | -61.8 | -25.6 | 0 | 0 | 0 | 113.7 | V99 G102 E106 A107 F108 L141 S144 Q148 L161 F164 | V99-Y104 HydrophobicContact CG1-CE1 4.06Å; V99-Y104 WeakPolarHBondContact O-CE1 3.46Å; G102-Y104 VanDerWaalsContact C-N 3.25Å; G102-Y104 PolarHBondContact O-N 3.44Å; Y104-E106 PolarHBondContact O-N 3.11Å; Y104-A107 WeakPolarHBondContact O-CB 3.46Å; Y104-A107 PolarHBondContact O-N 3.46Å; Y104-F108 WeakPolarHBondContact O-CD2 3.16Å; Y104-F108 PolarHBondContact O-N 3.39Å; Y104-L141 HydrophobicContact CD1-CD1 3.18Å; Y104-L141 HydrophobicContact CD2-CD1 4.37Å; Y104-L141 HydrophobicContact CE1-CD1 3.35Å; Y104-L141 HydrophobicContact CG-CD1 3.72Å; Y104-S144 PolarHBondContact OH-OG 3.28Å; Y104-Q148 PolarHBondContact OH-NE2 3.43Å; Y104-L161 HydrophobicContact CE2-CD2 4.09Å; Y104-F164 AromaticContact CD2-CD2 3.75Å; Y104-F164 HydrophobicContact CD2-CD2 3.75Å; Y104-F164 AromaticContact CD2-CE2 3.69Å; Y104-F164 HydrophobicContact CD2-CE2 3.69Å; Y104-F164 HydrophobicContact CG-CD2 4.4Å; Y104-F164 HydrophobicContact CG-CE2 4.25Å |
| 105 | E | 89.2 | Confident | 89.1 | Confident | 93 Ų | 93 | 58.5 Ų | 58.5 | 44% | 0.435 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -57.8 | -50 | 176 | -71.4 | -65.9 | 171.7 | 0 | 0 | 112 | A107 F108 E109 F164 R167 | E105-A107 VanDerWaalsContact C-N 3.33Å; E105-A107 PolarHBondContact O-N 2.76Å; E105-F108 WeakPolarHBondContact O-CB 3.4Å; E105-F108 PolarHBondContact O-N 3.18Å; E105-F108 VanDerWaalsContact O-N 3.12Å; E105-E109 PolarHBondContact O-N 2.95Å; E105-F164 HydrophobicContact CG-CE1 4.04Å; E105-F164 HydrophobicContact CG-CZ 4.15Å; E105-F164 VanDerWaalsContact OE1-CE1 3.26Å; E105-F164 WeakPolarHBondContact OE1-CE1 3.38Å; E105-R167 IonicContact OE1-NH1 3.34Å; E105-R167 PolarHBondContact OE1-NH1 3.33Å; E105-R167 IonicContact OE2-CZ 2.69Å; E105-R167 IonicContact OE2-NH1 3.21Å; E105-R167 PolarHBondContact OE2-NH1 2.91Å; E105-R167 IonicContact OE2-NH2 2.65Å; E105-R167 PolarHBondContact OE2-NH2 3.45Å; E105-R167 VanDerWaalsContact OE2-NH2 3.11Å |
| 106 | E | 88.8 | Confident | 89 | Confident | 91 Ų | 91 | 66.2 Ų | 66.2 | 43% | 0.425 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.5 | -43.9 | 176.5 | -62.7 | 162.8 | -167.9 | 0 | 0 | 110.8 | H103 Y104 F108 E109 L110 | H103-E106 HydrophobicContact CB-CB 4.39Å; H103-E106 HydrophobicContact CB-CG 4.43Å; H103-E106 WeakPolarHBondContact CB-OE2 3.49Å; H103-E106 IonicContact CG-OE1 3.09Å; H103-E106 IonicContact CG-OE2 2.86Å; H103-E106 IonicContact ND1-OE1 3.58Å; H103-E106 PolarHBondContact ND1-OE1 3.33Å; H103-E106 IonicContact ND1-OE2 3.14Å; H103-E106 PolarHBondContact ND1-OE2 3Å; Y104-E106 PolarHBondContact O-N 3.11Å; E106-F108 VanDerWaalsContact C-N 3.29Å; E106-F108 PolarHBondContact O-N 3.26Å; E106-E109 PolarHBondContact O-N 3.08Å; E106-L110 VanDerWaalsContact O-CG 3.28Å; E106-L110 WeakPolarHBondContact O-CG 3.45Å; E106-L110 PolarHBondContact O-N 2.67Å; E106-L110 VanDerWaalsContact O-N 3.08Å |
| 107 | A | 91.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.5 | -40.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | I95 C98 V99 H103 Y104 E105 L110 I111 L141 | I95-A107 HydrophobicContact CG2-CB 4.36Å; C98-A107 HydrophobicContact CB-CB 3.96Å; V99-A107 HydrophobicContact CG2-CB 3.96Å; H103-A107 PolarHBondContact O-N 3.31Å; H103-A107 VanDerWaalsContact O-N 3.15Å; Y104-A107 WeakPolarHBondContact O-CB 3.46Å; Y104-A107 PolarHBondContact O-N 3.46Å; E105-A107 VanDerWaalsContact C-N 3.33Å; E105-A107 PolarHBondContact O-N 2.76Å; A107-L110 PolarHBondContact O-N 3.21Å; A107-I111 WeakPolarHBondContact O-CB 3.39Å; A107-I111 WeakPolarHBondContact O-CD1 3.43Å; A107-I111 WeakPolarHBondContact O-CG1 3.19Å; A107-I111 PolarHBondContact O-N 2.94Å; A107-L141 HydrophobicContact CB-CD2 4.41Å |
| 108 | F | 87.9 | Confident | 88.8 | Confident | 7 Ų | 7 | 60.9 Ų | 60.9 | 3% | 0.031 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.2 | -43.8 | 177 | -91.8 | -73 | 0 | 0 | 0 | 112.8 | Y104 E105 E106 L110 I111 Q112 L141 F164 R167 M168 | Y104-F108 WeakPolarHBondContact O-CD2 3.16Å; Y104-F108 PolarHBondContact O-N 3.39Å; E105-F108 WeakPolarHBondContact O-CB 3.4Å; E105-F108 PolarHBondContact O-N 3.18Å; E105-F108 VanDerWaalsContact O-N 3.12Å; E106-F108 VanDerWaalsContact C-N 3.29Å; E106-F108 PolarHBondContact O-N 3.26Å; F108-L110 VanDerWaalsContact C-N 3.3Å; F108-L110 PolarHBondContact O-N 2.9Å; F108-I111 PolarHBondContact O-N 3.46Å; F108-Q112 WeakPolarHBondContact O-CG 3.35Å; F108-Q112 PolarHBondContact O-N 3.02Å; F108-L141 HydrophobicContact CD2-CD2 4.18Å; F108-L141 HydrophobicContact CE2-CD2 3.8Å; F108-L141 HydrophobicContact CZ-CD2 4.06Å; F108-F164 AromaticContact CD2-CD1 3.77Å; F108-F164 HydrophobicContact CD2-CD1 3.77Å; F108-F164 HydrophobicContact CD2-CE1 4.27Å; F108-F164 HydrophobicContact CE2-CB 3.7Å; F108-F164 AromaticContact CE2-CD1 3.44Å; F108-F164 HydrophobicContact CE2-CD1 3.44Å; F108-F164 VanDerWaalsContact CE2-CD1 3.44Å; F108-F164 HydrophobicContact CE2-CE1 4.34Å; F108-F164 AromaticContact CE2-CG 3.82Å; F108-F164 HydrophobicContact CE2-CG 3.82Å; F108-F164 HydrophobicContact CZ-CB 4.1Å; F108-F164 HydrophobicContact CZ-CD1 4.41Å; F108-F164 VanDerWaalsContact CZ-O 3.28Å; F108-F164 WeakPolarHBondContact CZ-O 3.46Å; F108-R167 HydrophobicContact CD1-CB 4.48Å; F108-R167 HydrophobicContact CE1-CB 3.97Å; F108-R167 HydrophobicContact CZ-CB 4.22Å; F108-M168 HydrophobicContact CE1-CG 3.61Å; F108-M168 HydrophobicContact CE2-CE 4.2Å; F108-M168 HydrophobicContact CZ-CE 3.62Å; F108-M168 HydrophobicContact CZ-CG 3.42Å; F108-M168 VanDerWaalsContact CZ-CG 3.42Å; F108-M168 HydrophobicContact CZ-SD 4.37Å |
| 109 | E | 89.1 | Confident | 88.6 | Confident | 129 Ų | 129 | 70.7 Ų | 70.7 | 60% | 0.603 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -59.9 | -43.4 | 177 | -70.2 | -173.6 | 170.4 | 0 | 0 | 111.2 | E105 E106 Q112 L113 | E105-E109 PolarHBondContact O-N 2.95Å; E106-E109 PolarHBondContact O-N 3.08Å; E109-Q112 PolarHBondContact O-N 3.39Å; E109-L113 WeakPolarHBondContact O-CB 3.2Å; E109-L113 PolarHBondContact O-N 2.66Å |
| 110 | L | 90.6 | Very high | 88.6 | Confident | 33 Ų | 33 | 75.7 Ų | 75.7 | 17% | 0.173 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -66.3 | -39 | 176.9 | -64.7 | 176.1 | 0 | 0 | 0 | 112.4 | L91 L94 I95 E106 A107 F108 L113 A114 | L91-L110 HydrophobicContact CD1-CB 3.85Å; L91-L110 HydrophobicContact CD1-CD1 4.49Å; L91-L110 HydrophobicContact CD1-CD2 3.62Å; L91-L110 HydrophobicContact CD1-CG 4.17Å; L94-L110 HydrophobicContact CB-CD1 4.28Å; L94-L110 HydrophobicContact CD2-CD1 3.62Å; L94-L110 HydrophobicContact CD2-CD2 4.2Å; L94-L110 HydrophobicContact CG-CD1 3.71Å; I95-L110 HydrophobicContact CD1-CB 3.93Å; I95-L110 HydrophobicContact CG1-CB 3.49Å; I95-L110 VanDerWaalsContact CG1-CB 3.49Å; I95-L110 HydrophobicContact CG1-CD1 3.92Å; I95-L110 HydrophobicContact CG1-CG 4.38Å; E106-L110 VanDerWaalsContact O-CG 3.28Å; E106-L110 WeakPolarHBondContact O-CG 3.45Å; E106-L110 PolarHBondContact O-N 2.67Å; E106-L110 VanDerWaalsContact O-N 3.08Å; A107-L110 PolarHBondContact O-N 3.21Å; F108-L110 VanDerWaalsContact C-N 3.3Å; F108-L110 PolarHBondContact O-N 2.9Å; L110-L113 PolarHBondContact O-N 3.45Å; L110-A114 WeakPolarHBondContact O-CB 3.28Å; L110-A114 PolarHBondContact O-N 2.72Å |
| 111 | I | 89.7 | Confident | 88.4 | Confident | 11 Ų | 11 | 71.9 Ų | 71.9 | 6% | 0.056 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.9 | -40.8 | 174.7 | -70.4 | 163.3 | 0 | 0 | 0 | 110.8 | I95 A107 F108 A114 S115 V134 R138 L141 | I95-I111 HydrophobicContact CD1-CG1 3.99Å; I95-I111 HydrophobicContact CG1-CG1 4.44Å; I95-I111 HydrophobicContact CG2-CD1 4.19Å; I95-I111 HydrophobicContact CG2-CG1 4.11Å; A107-I111 WeakPolarHBondContact O-CB 3.39Å; A107-I111 WeakPolarHBondContact O-CD1 3.43Å; A107-I111 WeakPolarHBondContact O-CG1 3.19Å; A107-I111 PolarHBondContact O-N 2.94Å; F108-I111 PolarHBondContact O-N 3.46Å; I111-A114 PolarHBondContact O-N 3.29Å; I111-S115 WeakPolarHBondContact O-CB 3.31Å; I111-S115 PolarHBondContact O-N 2.89Å; I111-S115 PolarHBondContact O-OG 3.44Å; I111-V134 HydrophobicContact CB-CG1 4.28Å; I111-V134 HydrophobicContact CG1-CG1 3.93Å; I111-V134 HydrophobicContact CG2-CG1 4.25Å; I111-R138 HydrophobicContact CD1-CB 4.26Å; I111-L141 HydrophobicContact CD1-CD2 4Å |
| 112 | Q | 88.6 | Confident | 88 | Confident | 83 Ų | 83 | 66 Ų | 66 | 39% | 0.388 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.7 | -41.1 | 175.9 | -72.9 | -178.9 | 20.9 | 0 | 0 | 111.6 | F108 E109 S115 R116 | F108-Q112 WeakPolarHBondContact O-CG 3.35Å; F108-Q112 PolarHBondContact O-N 3.02Å; E109-Q112 PolarHBondContact O-N 3.39Å; Q112-S115 PolarHBondContact O-N 3.11Å; Q112-R116 WeakPolarHBondContact O-CG 3.42Å; Q112-R116 PolarHBondContact O-N 3.12Å |
| 113 | L | 88.1 | Confident | 88 | Confident | 84 Ų | 84 | 72.3 Ų | 72.3 | 44% | 0.44 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59.3 | -50.4 | 174 | 178.6 | 66.6 | 0 | 0 | 0 | 111.1 | E109 L110 S115 R116 L117 | E109-L113 WeakPolarHBondContact O-CB 3.2Å; E109-L113 PolarHBondContact O-N 2.66Å; L110-L113 PolarHBondContact O-N 3.45Å; L113-S115 VanDerWaalsContact C-N 3.3Å; L113-S115 PolarHBondContact O-N 3.01Å; L113-R116 PolarHBondContact O-N 2.85Å; L113-L117 HydrophobicContact CD1-CD1 4.47Å; L113-L117 HydrophobicContact CG-CD1 4.16Å; L113-L117 WeakPolarHBondContact O-CG 3.17Å; L113-L117 PolarHBondContact O-N 3.44Å |
| 114 | A | 88 | Confident | 87.8 | Confident | 2 Ų | 2 | 72.2 Ų | 72.2 | 2% | 0.017 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -58.3 | -42.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | L91 L110 I111 R116 L117 G118 V134 | L91-A114 HydrophobicContact CD2-CB 3.72Å; L110-A114 WeakPolarHBondContact O-CB 3.28Å; L110-A114 PolarHBondContact O-N 2.72Å; I111-A114 PolarHBondContact O-N 3.29Å; A114-R116 VanDerWaalsContact C-N 3.35Å; A114-R116 PolarHBondContact O-N 3.36Å; A114-L117 PolarHBondContact O-N 3.43Å; A114-G118 PolarHBondContact O-N 2.78Å; A114-V134 HydrophobicContact CB-CB 3.99Å; A114-V134 HydrophobicContact CB-CG1 3.68Å; A114-V134 HydrophobicContact CB-CG2 3.74Å |
| 115 | S | 88 | Confident | 87.7 | Confident | 51 Ų | 51 | 75.4 Ų | 75.4 | 36% | 0.357 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.4 | -37.7 | 179.4 | -59.5 | 0 | 0 | 0 | 0 | 112.1 | I111 Q112 L113 R119 | I111-S115 WeakPolarHBondContact O-CB 3.31Å; I111-S115 PolarHBondContact O-N 2.89Å; I111-S115 PolarHBondContact O-OG 3.44Å; Q112-S115 PolarHBondContact O-N 3.11Å; L113-S115 VanDerWaalsContact C-N 3.3Å; L113-S115 PolarHBondContact O-N 3.01Å; S115-R119 WeakPolarHBondContact O-CG 3.48Å; S115-R119 PolarHBondContact O-N 3.27Å |
| 116 | R | 88.7 | Confident | 87.5 | Confident | 162 Ų | 162 | 74.2 Ų | 74.2 | 61% | 0.611 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -66 | -45.2 | 173.3 | -74 | 174.1 | 178.7 | 170.2 | 1.9 | 111.2 | Q112 L113 A114 G118 R119 C120 | Q112-R116 WeakPolarHBondContact O-CG 3.42Å; Q112-R116 PolarHBondContact O-N 3.12Å; L113-R116 PolarHBondContact O-N 2.85Å; A114-R116 VanDerWaalsContact C-N 3.35Å; A114-R116 PolarHBondContact O-N 3.36Å; R116-G118 VanDerWaalsContact C-N 3.35Å; R116-G118 PolarHBondContact O-N 2.82Å; R116-R119 PolarHBondContact O-N 2.93Å; R116-C120 PolarHBondContact O-N 3.34Å; R116-C120 PolarHBondContact O-SG 3.12Å |
| 117 | L | 87.5 | Confident | 87.4 | Confident | 52 Ų | 52 | 70.3 Ų | 70.3 | 27% | 0.272 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.5 | -44.4 | 176.2 | -72.1 | 168 | 0 | 0 | 0 | 111.8 | L88 L113 A114 R119 C120 L121 | L88-L117 HydrophobicContact CD1-CD1 3.82Å; L113-L117 HydrophobicContact CD1-CD1 4.47Å; L113-L117 HydrophobicContact CG-CD1 4.16Å; L113-L117 WeakPolarHBondContact O-CG 3.17Å; L113-L117 PolarHBondContact O-N 3.44Å; A114-L117 PolarHBondContact O-N 3.43Å; L117-R119 VanDerWaalsContact C-N 3.3Å; L117-R119 PolarHBondContact O-N 3.08Å; L117-C120 PolarHBondContact O-N 2.96Å; L117-L121 HydrophobicContact CD2-CD1 4.24Å; L117-L121 WeakPolarHBondContact O-CB 3.31Å; L117-L121 PolarHBondContact O-N 3.26Å |
| 118 | G | 87.9 | Confident | 87.2 | Confident | 15 Ų | 15 | 76.1 Ų | 76.1 | 16% | 0.155 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -61.3 | -34.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | A114 R116 G122 | A114-G118 PolarHBondContact O-N 2.78Å; R116-G118 VanDerWaalsContact C-N 3.35Å; R116-G118 PolarHBondContact O-N 2.82Å; G118-G122 WeakPolarHBondContact O-CA 3.28Å; G118-G122 PolarHBondContact O-N 3.18Å; G118-G122 VanDerWaalsContact O-N 3.12Å |
| 119 | R | 88.6 | Confident | 87.2 | Confident | 217 Ų | 217 | 80.6 Ų | 80.6 | 82% | 0.819 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -71.5 | -41 | 174.9 | -71.6 | 176.6 | -171.7 | 178.3 | 2.6 | 112.7 | S115 R116 L117 | S115-R119 WeakPolarHBondContact O-CG 3.48Å; S115-R119 PolarHBondContact O-N 3.27Å; R116-R119 PolarHBondContact O-N 2.93Å; L117-R119 VanDerWaalsContact C-N 3.3Å; L117-R119 PolarHBondContact O-N 3.08Å |
| 120 | C | 88.6 | Confident | 87.2 | Confident | 107 Ų | 107 | 74.7 Ų | 74.7 | 72% | 0.723 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -79.8 | -32.9 | -176.8 | -65.1 | 0 | 0 | 0 | 0 | 113.2 | R116 L117 | R116-C120 PolarHBondContact O-N 3.34Å; R116-C120 PolarHBondContact O-SG 3.12Å; L117-C120 PolarHBondContact O-N 2.96Å |
| 121 | L | 84.8 | Confident | 87.1 | Confident | 77 Ų | 77 | 74.3 Ų | 74.3 | 40% | 0.403 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -125.4 | 22.2 | -168.9 | -59.4 | 173.3 | 0 | 0 | 0 | 112.8 | L117 N123 I124 V127 | L117-L121 HydrophobicContact CD2-CD1 4.24Å; L117-L121 WeakPolarHBondContact O-CB 3.31Å; L117-L121 PolarHBondContact O-N 3.26Å; L121-N123 PolarHBondContact O-N 3.49Å; L121-I124 HydrophobicContact CB-CD1 4.24Å; L121-I124 HydrophobicContact CD2-CD1 4.27Å; L121-I124 PolarHBondContact O-N 2.81Å; L121-V127 HydrophobicContact CB-CB 4.41Å; L121-V127 HydrophobicContact CB-CG1 4.11Å; L121-V127 HydrophobicContact CB-CG2 4.1Å |
| 122 | G | 78.6 | Confident | 87.1 | Confident | 33 Ų | 33 | 77 Ų | 77 | 34% | 0.34 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -16.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | G118 I124 | G118-G122 WeakPolarHBondContact O-CA 3.28Å; G118-G122 PolarHBondContact O-N 3.18Å; G118-G122 VanDerWaalsContact O-N 3.12Å; G122-I124 PolarHBondContact O-N 3.33Å |
| 123 | N | 84.3 | Confident | 87.1 | Confident | 174 Ų | 174 | 77 Ų | 77 | 93% | 0.93 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -12.7 | 175.9 | -65.4 | -13.9 | 0 | 0 | 0 | 113.2 | L121 | L121-N123 PolarHBondContact O-N 3.49Š|
| 124 | I | 86.7 | Confident | 87.2 | Confident | 83 Ų | 83 | 73.1 Ų | 73.1 | 43% | 0.426 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -92.4 | 118.5 | -178.9 | -55.8 | 177.7 | 0 | 0 | 0 | 109 | L121 G122 I126 V127 F128 | L121-I124 HydrophobicContact CB-CD1 4.24Å; L121-I124 HydrophobicContact CD2-CD1 4.27Å; L121-I124 PolarHBondContact O-N 2.81Å; G122-I124 PolarHBondContact O-N 3.33Å; I124-I126 VanDerWaalsContact C-N 3.27Å; I124-I126 HydrophobicContact CG2-CB 4.46Å; I124-I126 PolarHBondContact O-N 3.15Å; I124-V127 HydrophobicContact CB-CB 4.28Å; I124-V127 HydrophobicContact CB-CG2 3.95Å; I124-V127 HydrophobicContact CG2-CG2 4.08Å; I124-V127 PolarHBondContact O-N 3.13Å; I124-F128 PolarHBondContact O-N 2.9Å |
| 125 | A | 87.5 | Confident | 87.3 | Confident | 79 Ų | 79 | 77.2 Ų | 77.2 | 65% | 0.653 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -52.5 | -41.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | F128 E129 | A125-F128 WeakPolarHBondContact O-CB 3.28Å; A125-F128 PolarHBondContact O-N 3.06Å; A125-E129 PolarHBondContact O-N 3.07Å |
| 126 | I | 84.8 | Confident | 87.4 | Confident | 69 Ų | 69 | 79.1 Ų | 79.1 | 35% | 0.354 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.4 | -43 | 178.9 | -61.9 | 170.9 | 0 | 0 | 0 | 111.4 | L88 F89 I124 F128 E129 V130 | L88-I126 HydrophobicContact CD2-CG2 4.43Å; F89-I126 HydrophobicContact CE1-CG2 3.84Å; F89-I126 HydrophobicContact CE2-CG2 4.04Å; F89-I126 HydrophobicContact CZ-CG2 3.39Å; I124-I126 VanDerWaalsContact C-N 3.27Å; I124-I126 HydrophobicContact CG2-CB 4.46Å; I124-I126 PolarHBondContact O-N 3.15Å; I126-F128 VanDerWaalsContact C-N 3.3Å; I126-F128 PolarHBondContact O-N 3.23Å; I126-E129 PolarHBondContact O-N 3.46Å; I126-V130 WeakPolarHBondContact O-CG2 3.39Å; I126-V130 PolarHBondContact O-N 2.84Å |
| 127 | V | 86.6 | Confident | 87.4 | Confident | 9 Ų | 9 | 72.8 Ų | 72.8 | 6% | 0.055 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -67 | -38.5 | 179 | -179.5 | 0 | 0 | 0 | 0 | 110.1 | L88 L121 I124 V130 T131 | L88-V127 HydrophobicContact CD2-CG2 3.99Å; L121-V127 HydrophobicContact CB-CB 4.41Å; L121-V127 HydrophobicContact CB-CG1 4.11Å; L121-V127 HydrophobicContact CB-CG2 4.1Å; I124-V127 HydrophobicContact CB-CB 4.28Å; I124-V127 HydrophobicContact CB-CG2 3.95Å; I124-V127 HydrophobicContact CG2-CG2 4.08Å; I124-V127 PolarHBondContact O-N 3.13Å; V127-V130 PolarHBondContact O-N 3.36Å; V127-T131 WeakPolarHBondContact O-CB 3.48Å; V127-T131 PolarHBondContact O-N 3.46Å; V127-T131 PolarHBondContact O-OG1 3.44Å |
| 128 | F | 87 | Confident | 87.6 | Confident | 121 Ų | 121 | 74.5 Ų | 74.5 | 53% | 0.531 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.9 | -49.6 | 174.8 | -178.7 | -94.5 | 0 | 0 | 0 | 111.6 | I124 A125 I126 V130 T131 E132 | I124-F128 PolarHBondContact O-N 2.9Å; A125-F128 WeakPolarHBondContact O-CB 3.28Å; A125-F128 PolarHBondContact O-N 3.06Å; I126-F128 VanDerWaalsContact C-N 3.3Å; I126-F128 PolarHBondContact O-N 3.23Å; F128-V130 PolarHBondContact O-N 3.17Å; F128-T131 PolarHBondContact O-N 3.25Å; F128-E132 HydrophobicContact CD1-CG 4.42Å; F128-E132 HydrophobicContact CE1-CG 3.96Å; F128-E132 HydrophobicContact CZ-CG 4.1Å; F128-E132 PolarHBondContact O-N 2.83Å |
| 129 | E | 88.2 | Confident | 87.7 | Confident | 102 Ų | 102 | 77.5 Ų | 77.5 | 48% | 0.477 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -58.5 | -47.7 | 177.3 | -175.6 | 178.9 | -174.1 | 0 | 0 | 111.9 | A125 I126 T131 E132 H133 | A125-E129 PolarHBondContact O-N 3.07Å; I126-E129 PolarHBondContact O-N 3.46Å; E129-T131 VanDerWaalsContact C-N 3.31Å; E129-T131 PolarHBondContact O-N 3Å; E129-E132 PolarHBondContact O-N 3.2Å; E129-H133 PolarHBondContact O-CD2 3.33Å; E129-H133 PolarHBondContact O-N 3.18Å; E129-H133 IonicContact OE1-NE2 3.35Å |
| 130 | V | 88 | Confident | 87.9 | Confident | 5 Ų | 5 | 71.9 Ų | 71.9 | 3% | 0.03 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.7 | -40.8 | 176.9 | 172.5 | 0 | 0 | 0 | 0 | 111.3 | L88 F89 I126 V127 F128 E132 H133 V134 | L88-V130 HydrophobicContact CD1-CG1 4.09Å; L88-V130 HydrophobicContact CD2-CG2 4.4Å; L88-V130 HydrophobicContact CG-CB 4.36Å; L88-V130 HydrophobicContact CG-CG1 4.1Å; L88-V130 HydrophobicContact CG-CG2 4.14Å; F89-V130 HydrophobicContact CD1-CG2 3.97Å; F89-V130 HydrophobicContact CE1-CG2 4.18Å; I126-V130 WeakPolarHBondContact O-CG2 3.39Å; I126-V130 PolarHBondContact O-N 2.84Å; V127-V130 PolarHBondContact O-N 3.36Å; F128-V130 PolarHBondContact O-N 3.17Å; V130-E132 VanDerWaalsContact C-N 3.33Å; V130-E132 PolarHBondContact O-N 3.44Å; V130-H133 PolarHBondContact O-N 3.27Å; V130-V134 HydrophobicContact CG1-CG2 4.43Å; V130-V134 VanDerWaalsContact O-CG2 3.31Å; V130-V134 WeakPolarHBondContact O-CG2 3.38Å; V130-V134 PolarHBondContact O-N 3.27Å |
| 131 | T | 88.1 | Confident | 88 | Confident | 24 Ų | 24 | 66.8 Ų | 66.8 | 15% | 0.147 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.9 | -39.1 | 177.9 | -54.5 | 0 | 0 | 0 | 0 | 111.4 | V127 F128 E129 V134 K135 | V127-T131 WeakPolarHBondContact O-CB 3.48Å; V127-T131 PolarHBondContact O-N 3.46Å; V127-T131 PolarHBondContact O-OG1 3.44Å; F128-T131 PolarHBondContact O-N 3.25Å; E129-T131 VanDerWaalsContact C-N 3.31Å; E129-T131 PolarHBondContact O-N 3Å; T131-V134 PolarHBondContact O-N 3.5Å; T131-K135 WeakPolarHBondContact O-CG 3.41Å; T131-K135 PolarHBondContact O-N 3.13Å |
| 132 | E | 89.5 | Confident | 88.4 | Confident | 67 Ų | 67 | 64.2 Ų | 64.2 | 31% | 0.313 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.8 | -44.6 | 172.8 | -76.3 | -58.2 | 129.4 | 0 | 0 | 112.1 | F128 E129 V130 V134 K135 N136 | F128-E132 HydrophobicContact CD1-CG 4.42Å; F128-E132 HydrophobicContact CE1-CG 3.96Å; F128-E132 HydrophobicContact CZ-CG 4.1Å; F128-E132 PolarHBondContact O-N 2.83Å; E129-E132 PolarHBondContact O-N 3.2Å; V130-E132 VanDerWaalsContact C-N 3.33Å; V130-E132 PolarHBondContact O-N 3.44Å; E132-V134 VanDerWaalsContact C-N 3.27Å; E132-V134 PolarHBondContact O-N 3.19Å; E132-K135 WeakPolarHBondContact O-CB 3.24Å; E132-K135 PolarHBondContact O-N 2.81Å; E132-K135 VanDerWaalsContact O-N 3.13Å; E132-K135 WeakPolarHBondContact OE1-CE 3.48Å; E132-K135 IonicContact OE1-NZ 2.84Å; E132-K135 PolarHBondContact OE1-NZ 3.04Å; E132-N136 PolarHBondContact O-N 3.48Å; E132-N136 VanDerWaalsContact O-N 3.12Å |
| 133 | H | 89.7 | Confident | 89.1 | Confident | 83 Ų | 83 | 65.4 Ų | 65.4 | 38% | 0.384 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.2 | -39.6 | 173.4 | -74.7 | -67.2 | 0 | 0 | 0 | 112.1 | E129 V130 K135 N136 Q137 | E129-H133 PolarHBondContact O-CD2 3.33Å; E129-H133 PolarHBondContact O-N 3.18Å; E129-H133 IonicContact OE1-NE2 3.35Å; V130-H133 PolarHBondContact O-N 3.27Å; H133-K135 PolarHBondContact O-N 3.37Å; H133-N136 WeakPolarHBondContact O-CB 3.4Å; H133-N136 PolarHBondContact O-N 3.33Å; H133-Q137 WeakPolarHBondContact O-CG 3.4Å; H133-Q137 PolarHBondContact O-N 3Å |
| 134 | V | 90.1 | Very high | 89.5 | Confident | 4 Ų | 4 | 58.3 Ų | 58.3 | 2% | 0.024 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67 | -34.9 | 176.9 | 173.6 | 0 | 0 | 0 | 0 | 112.1 | I95 I111 A114 V130 T131 E132 N136 Q137 R138 | I95-V134 HydrophobicContact CD1-CB 4.39Å; I95-V134 HydrophobicContact CD1-CG1 3.83Å; I95-V134 HydrophobicContact CD1-CG2 3.75Å; I111-V134 HydrophobicContact CB-CG1 4.28Å; I111-V134 HydrophobicContact CG1-CG1 3.93Å; I111-V134 HydrophobicContact CG2-CG1 4.25Å; A114-V134 HydrophobicContact CB-CB 3.99Å; A114-V134 HydrophobicContact CB-CG1 3.68Å; A114-V134 HydrophobicContact CB-CG2 3.74Å; V130-V134 HydrophobicContact CG1-CG2 4.43Å; V130-V134 VanDerWaalsContact O-CG2 3.31Å; V130-V134 WeakPolarHBondContact O-CG2 3.38Å; V130-V134 PolarHBondContact O-N 3.27Å; T131-V134 PolarHBondContact O-N 3.5Å; E132-V134 VanDerWaalsContact C-N 3.27Å; E132-V134 PolarHBondContact O-N 3.19Å; V134-N136 VanDerWaalsContact C-N 3.3Å; V134-N136 PolarHBondContact O-N 2.88Å; V134-Q137 PolarHBondContact O-N 2.85Å; V134-R138 PolarHBondContact O-N 2.73Å |
| 135 | K | 89.1 | Confident | 89.8 | Confident | 88 Ų | 88 | 54.4 Ų | 54.4 | 38% | 0.383 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.5 | -40.8 | 171 | -70.7 | 174.6 | -175.1 | 172.2 | 0 | 111.6 | T131 E132 H133 Q137 R138 N139 | T131-K135 WeakPolarHBondContact O-CG 3.41Å; T131-K135 PolarHBondContact O-N 3.13Å; E132-K135 WeakPolarHBondContact O-CB 3.24Å; E132-K135 PolarHBondContact O-N 2.81Å; E132-K135 VanDerWaalsContact O-N 3.13Å; E132-K135 WeakPolarHBondContact OE1-CE 3.48Å; E132-K135 IonicContact OE1-NZ 2.84Å; E132-K135 PolarHBondContact OE1-NZ 3.04Å; H133-K135 PolarHBondContact O-N 3.37Å; K135-Q137 VanDerWaalsContact C-N 3.35Å; K135-R138 WeakPolarHBondContact O-CB 3.26Å; K135-R138 PolarHBondContact O-N 3.12Å; K135-N139 PolarHBondContact O-N 2.85Å |
| 136 | N | 90.3 | Very high | 90.2 | Very high | 91 Ų | 91 | 51.3 Ų | 51.3 | 49% | 0.487 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63 | -41.9 | 174.5 | -68.2 | -29.4 | 0 | 0 | 0 | 111.6 | E132 H133 V134 R138 N139 Y140 | E132-N136 PolarHBondContact O-N 3.48Å; E132-N136 VanDerWaalsContact O-N 3.12Å; H133-N136 WeakPolarHBondContact O-CB 3.4Å; H133-N136 PolarHBondContact O-N 3.33Å; V134-N136 VanDerWaalsContact C-N 3.3Å; V134-N136 PolarHBondContact O-N 2.88Å; N136-R138 VanDerWaalsContact C-N 3.33Å; N136-R138 PolarHBondContact O-N 2.82Å; N136-N139 PolarHBondContact O-N 3.3Å; N136-Y140 PolarHBondContact O-N 2.9Å |
| 137 | Q | 90 | Very high | 90.7 | Very high | 28 Ų | 28 | 53.7 Ų | 53.7 | 13% | 0.131 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.4 | -34.9 | 175 | -62.7 | -56.3 | -29.1 | 0 | 0 | 112.7 | I95 H133 V134 K135 Y140 L141 | I95-Q137 HydrophobicContact CB-CB 4.39Å; I95-Q137 HydrophobicContact CG2-CB 3.68Å; I95-Q137 HydrophobicContact CG2-CG 4.36Å; H133-Q137 WeakPolarHBondContact O-CG 3.4Å; H133-Q137 PolarHBondContact O-N 3Å; V134-Q137 PolarHBondContact O-N 2.85Å; K135-Q137 VanDerWaalsContact C-N 3.35Å; Q137-Y140 WeakPolarHBondContact O-CB 3.42Å; Q137-Y140 PolarHBondContact O-N 3.41Å; Q137-L141 PolarHBondContact O-N 3.25Å |
| 138 | R | 90.4 | Very high | 91.1 | Very high | 89 Ų | 89 | 56.7 Ų | 56.7 | 34% | 0.336 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 172 | -175.2 | -168.6 | 67.1 | 171.1 | 2.3 | 111.4 | I111 V134 K135 N136 Y140 L141 L142 | I111-R138 HydrophobicContact CD1-CB 4.26Å; V134-R138 PolarHBondContact O-N 2.73Å; K135-R138 WeakPolarHBondContact O-CB 3.26Å; K135-R138 PolarHBondContact O-N 3.12Å; N136-R138 VanDerWaalsContact C-N 3.33Å; N136-R138 PolarHBondContact O-N 2.82Å; R138-Y140 VanDerWaalsContact C-N 3.3Å; R138-Y140 PolarHBondContact O-N 3.26Å; R138-L141 WeakPolarHBondContact O-CB 3.17Å; R138-L141 PolarHBondContact O-N 3.49Å; R138-L142 PolarHBondContact O-N 3.23Å |
| 139 | N | 91.4 | Very high | 91.6 | Very high | 77 Ų | 77 | 50.9 Ų | 50.9 | 41% | 0.412 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.7 | -34.8 | 176.2 | -65.2 | -16.2 | 0 | 0 | 0 | 111.8 | K135 N136 L142 S143 | K135-N139 PolarHBondContact O-N 2.85Å; N136-N139 PolarHBondContact O-N 3.3Å; N139-L142 WeakPolarHBondContact O-CB 2.87Å; N139-L142 PolarHBondContact O-N 3.15Å; N139-S143 PolarHBondContact O-N 3.34Å; N139-S143 PolarHBondContact O-OG 2.91Å |
| 140 | Y | 91.2 | Very high | 92 | Very high | 100 Ų | 100 | 49.9 Ų | 49.9 | 39% | 0.392 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -66.6 | -39.9 | 172.2 | -178.5 | -106.9 | 0 | 0 | 0 | 112.4 | V99 N136 Q137 R138 S143 S144 | V99-Y140 HydrophobicContact CB-CD1 4.16Å; V99-Y140 HydrophobicContact CB-CE1 4.18Å; V99-Y140 HydrophobicContact CG1-CD1 3.57Å; V99-Y140 HydrophobicContact CG1-CE1 3.58Å; N136-Y140 PolarHBondContact O-N 2.9Å; Q137-Y140 WeakPolarHBondContact O-CB 3.42Å; Q137-Y140 PolarHBondContact O-N 3.41Å; R138-Y140 VanDerWaalsContact C-N 3.3Å; R138-Y140 PolarHBondContact O-N 3.26Å; Y140-S143 PolarHBondContact O-N 3.35Å; Y140-S143 PolarHBondContact O-OG 3.22Å; Y140-S144 WeakPolarHBondContact O-CB 3.35Å; Y140-S144 PolarHBondContact O-N 3.47Å |
| 141 | L | 91.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63 | -43.7 | 173.1 | 179.5 | 58.9 | 0 | 0 | 0 | 111.2 | V99 Y104 A107 F108 I111 Q137 R138 S143 S144 C145 M168 | V99-L141 HydrophobicContact CB-CD1 4.46Å; V99-L141 HydrophobicContact CG1-CB 4.24Å; V99-L141 HydrophobicContact CG1-CD1 3.89Å; V99-L141 HydrophobicContact CG2-CB 3.95Å; V99-L141 HydrophobicContact CG2-CD1 3.95Å; V99-L141 HydrophobicContact CG2-CG 4.33Å; Y104-L141 HydrophobicContact CD1-CD1 3.18Å; Y104-L141 HydrophobicContact CD2-CD1 4.37Å; Y104-L141 HydrophobicContact CE1-CD1 3.35Å; Y104-L141 HydrophobicContact CG-CD1 3.72Å; A107-L141 HydrophobicContact CB-CD2 4.41Å; F108-L141 HydrophobicContact CD2-CD2 4.18Å; F108-L141 HydrophobicContact CE2-CD2 3.8Å; F108-L141 HydrophobicContact CZ-CD2 4.06Å; I111-L141 HydrophobicContact CD1-CD2 4Å; Q137-L141 PolarHBondContact O-N 3.25Å; R138-L141 WeakPolarHBondContact O-CB 3.17Å; R138-L141 PolarHBondContact O-N 3.49Å; L141-S143 PolarHBondContact O-N 3.44Å; L141-S144 WeakPolarHBondContact O-CB 3.47Å; L141-S144 PolarHBondContact O-N 2.88Å; L141-C145 PolarHBondContact O-N 2.96Å; L141-C145 PolarHBondContact O-SG 3.07Å; L141-C145 VanDerWaalsContact O-SG 3.36Å; L141-M168 HydrophobicContact CB-CE 4.17Å; L141-M168 HydrophobicContact CD1-CE 4.49Å; L141-M168 HydrophobicContact CD2-CE 3.74Å; L141-M168 HydrophobicContact CG-CE 3.46Å; L141-M168 VanDerWaalsContact CG-CE 3.46Å |
| 142 | L | 93.6 | Very high | 92.6 | Very high | 22 Ų | 22 | 54.7 Ų | 54.7 | 12% | 0.115 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -55.9 | -51.5 | 174.5 | 175.1 | 61.7 | 0 | 0 | 0 | 111.5 | R138 N139 S144 C145 L146 L165 M168 V170 Y171 | R138-L142 PolarHBondContact O-N 3.23Å; N139-L142 WeakPolarHBondContact O-CB 2.87Å; N139-L142 PolarHBondContact O-N 3.15Å; L142-S144 VanDerWaalsContact C-N 3.28Å; L142-S144 PolarHBondContact O-N 3.01Å; L142-C145 PolarHBondContact O-N 2.86Å; L142-L146 HydrophobicContact CD1-CD1 4.22Å; L142-L146 HydrophobicContact CD1-CG 4.3Å; L142-L146 HydrophobicContact CG-CD1 4.26Å; L142-L146 WeakPolarHBondContact O-CG 3.49Å; L142-L146 PolarHBondContact O-N 3.05Å; L142-L165 HydrophobicContact CD1-CD2 3.42Å; L142-L165 VanDerWaalsContact CD1-CD2 3.42Å; L142-M168 HydrophobicContact CB-CE 4.49Å; L142-M168 HydrophobicContact CB-SD 3.76Å; L142-M168 HydrophobicContact CD1-SD 4.11Å; L142-V170 HydrophobicContact CD2-CG1 4.04Å; L142-V170 HydrophobicContact CD2-CG2 4.46Å; L142-Y171 HydrophobicContact CD1-CE2 3.85Å |
| 143 | S | 93.1 | Very high | 92.8 | Very high | 58 Ų | 58 | 52.4 Ų | 52.4 | 41% | 0.406 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.5 | -36.6 | 179.8 | 67.7 | 0 | 0 | 0 | 0 | 112 | N139 Y140 L141 L146 Q147 | N139-S143 PolarHBondContact O-N 3.34Å; N139-S143 PolarHBondContact O-OG 2.91Å; Y140-S143 PolarHBondContact O-N 3.35Å; Y140-S143 PolarHBondContact O-OG 3.22Å; L141-S143 PolarHBondContact O-N 3.44Å; S143-L146 PolarHBondContact O-N 2.84Å; S143-Q147 VanDerWaalsContact O-CB 3.31Å; S143-Q147 WeakPolarHBondContact O-CB 3.14Å; S143-Q147 PolarHBondContact O-N 2.95Å |
| 144 | S | 92.3 | Very high | 93 | Very high | 26 Ų | 26 | 52.2 Ų | 52.2 | 18% | 0.182 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.5 | -46.3 | 174.1 | -165.1 | 0 | 0 | 0 | 0 | 112 | Y104 Y140 L141 L142 Q147 Q148 | Y104-S144 PolarHBondContact OH-OG 3.28Å; Y140-S144 WeakPolarHBondContact O-CB 3.35Å; Y140-S144 PolarHBondContact O-N 3.47Å; L141-S144 WeakPolarHBondContact O-CB 3.47Å; L141-S144 PolarHBondContact O-N 2.88Å; L142-S144 VanDerWaalsContact C-N 3.28Å; L142-S144 PolarHBondContact O-N 3.01Å; S144-Q147 PolarHBondContact O-N 3.46Å; S144-Q148 WeakPolarHBondContact O-CG 3.38Å; S144-Q148 PolarHBondContact O-N 3.02Å |
| 145 | C | 93.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.2 | -46.3 | 176.1 | -69.2 | 0 | 0 | 0 | 0 | 112 | L141 L142 Q147 Q148 L149 L161 L165 | L141-C145 PolarHBondContact O-N 2.96Å; L141-C145 PolarHBondContact O-SG 3.07Å; L141-C145 VanDerWaalsContact O-SG 3.36Å; L142-C145 PolarHBondContact O-N 2.86Å; C145-Q147 VanDerWaalsContact C-N 3.31Å; C145-Q147 PolarHBondContact O-N 3.17Å; C145-Q148 PolarHBondContact O-N 2.98Å; C145-L149 PolarHBondContact O-N 3.26Å; C145-L161 HydrophobicContact CB-CD2 4.21Å; C145-L165 HydrophobicContact CB-CD2 3.91Å; C145-L165 HydrophobicContact CB-CG 4.34Å |
| 146 | L | 95.7 | Very high | 93.4 | Very high | 15 Ų | 15 | 55 Ų | 55 | 8% | 0.079 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.2 | -38.2 | 177.1 | -65.9 | 175.5 | 0 | 0 | 0 | 111.7 | L142 S143 Q148 L149 R150 L165 | L142-L146 HydrophobicContact CD1-CD1 4.22Å; L142-L146 HydrophobicContact CD1-CG 4.3Å; L142-L146 HydrophobicContact CG-CD1 4.26Å; L142-L146 WeakPolarHBondContact O-CG 3.49Å; L142-L146 PolarHBondContact O-N 3.05Å; S143-L146 PolarHBondContact O-N 2.84Å; L146-Q148 VanDerWaalsContact C-N 3.33Å; L146-Q148 PolarHBondContact O-N 3.38Å; L146-L149 HydrophobicContact CD2-CD1 4.46Å; L146-L149 PolarHBondContact O-N 2.83Å; L146-R150 PolarHBondContact O-N 3.43Å; L146-L165 HydrophobicContact CD2-CD1 4.18Å; L146-L165 HydrophobicContact CD2-CD2 4.36Å |
| 147 | Q | 95.1 | Very high | 93.6 | Very high | 119 Ų | 119 | 55.1 Ų | 55.1 | 56% | 0.556 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -65.7 | -36.4 | 176.9 | -172.1 | 59.2 | 20.8 | 0 | 0 | 112.2 | S143 S144 C145 R150 | S143-Q147 VanDerWaalsContact O-CB 3.31Å; S143-Q147 WeakPolarHBondContact O-CB 3.14Å; S143-Q147 PolarHBondContact O-N 2.95Å; S144-Q147 PolarHBondContact O-N 3.46Å; C145-Q147 VanDerWaalsContact C-N 3.31Å; C145-Q147 PolarHBondContact O-N 3.17Å; Q147-R150 PolarHBondContact O-N 3.44Å |
| 148 | Q | 94.8 | Very high | 93.8 | Very high | 71 Ų | 71 | 53.8 Ų | 53.8 | 33% | 0.332 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.1 | -36.6 | 172.8 | -69.2 | -169.4 | 25.3 | 0 | 0 | 112.2 | Y104 S144 C145 L146 R150 A151 L153 L161 | Y104-Q148 PolarHBondContact OH-NE2 3.43Å; S144-Q148 WeakPolarHBondContact O-CG 3.38Å; S144-Q148 PolarHBondContact O-N 3.02Å; C145-Q148 PolarHBondContact O-N 2.98Å; L146-Q148 VanDerWaalsContact C-N 3.33Å; L146-Q148 PolarHBondContact O-N 3.38Å; Q148-R150 PolarHBondContact O-N 2.99Å; Q148-A151 WeakPolarHBondContact O-CB 3.43Å; Q148-A151 PolarHBondContact O-N 3.42Å; Q148-L153 VanDerWaalsContact O-CD1 3.25Å; Q148-L153 WeakPolarHBondContact O-CD1 3.5Å; Q148-L153 WeakPolarHBondContact O-CG 3.45Å; Q148-L161 HydrophobicContact CB-CD1 3.65Å; Q148-L161 HydrophobicContact CB-CD2 4.22Å |
| 149 | L | 96.3 | Very high | 94 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.4 | -25.8 | 173.9 | -72.1 | 176 | 0 | 0 | 0 | 113.3 | C145 L146 A151 L153 L161 L165 F180 C183 R184 | C145-L149 PolarHBondContact O-N 3.26Å; L146-L149 HydrophobicContact CD2-CD1 4.46Å; L146-L149 PolarHBondContact O-N 2.83Å; L149-A151 VanDerWaalsContact C-N 3.26Å; L149-A151 PolarHBondContact O-N 2.91Å; L149-L153 HydrophobicContact CD2-CD1 3.81Å; L149-L161 HydrophobicContact CD2-CB 4.09Å; L149-L161 HydrophobicContact CD2-CD1 4.05Å; L149-L161 HydrophobicContact CG-CB 4.43Å; L149-L161 HydrophobicContact CG-CD1 4.3Å; L149-L165 HydrophobicContact CD1-CD1 3.58Å; L149-F180 HydrophobicContact CD2-CD2 4.36Å; L149-F180 HydrophobicContact CD2-CE2 4.43Å; L149-C183 HydrophobicContact CB-CB 3.58Å; L149-R184 WeakPolarHBondContact O-CD 3.45Å; L149-R184 PolarHBondContact O-NH1 3.39Å; L149-R184 VanDerWaalsContact O-NH1 3.09Å |
| 150 | R | 97.1 | Very high | 94.1 | Very high | 81 Ų | 81 | 55.9 Ų | 55.9 | 31% | 0.306 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 3.9 | 173.4 | -63.5 | -176.8 | -174.8 | 98 | 7.8 | 114.4 | L146 Q147 Q148 C183 W187 | L146-R150 PolarHBondContact O-N 3.43Å; Q147-R150 PolarHBondContact O-N 3.44Å; Q148-R150 PolarHBondContact O-N 2.99Å; R150-C183 HydrophobicContact CG-CB 3.87Å; R150-W187 WeakPolarHBondContact O-CB 3.39Å |
| 151 | A | 95.1 | Very high | 94.3 | Very high | 36 Ų | 36 | 51.3 Ų | 51.3 | 30% | 0.298 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -111.9 | 165.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q148 L149 L153 R184 | Q148-A151 WeakPolarHBondContact O-CB 3.43Å; Q148-A151 PolarHBondContact O-N 3.42Å; L149-A151 VanDerWaalsContact C-N 3.26Å; L149-A151 PolarHBondContact O-N 2.91Å; A151-L153 PolarHBondContact O-N 3.24Å; A151-R184 PolarHBondContact O-NH1 2.81Å |
| 152 | P | 93.6 | Very high | 94.4 | Very high | 94 Ų | 94 | 51.3 Ų | 51.3 | 61% | 0.61 | 28% | 0.275 | S | S | * | . | trans | -57.9 | 131.4 | 168.7 | 24.3 | -34.3 | 0 | 0 | 0 | 110 | W187 | P152-W187 HydrophobicContact CB-CZ2 4.4Š| ||
| 153 | L | 93.7 | Very high | 94.4 | Very high | 19 Ų | 19 | 51.6 Ų | 51.6 | 10% | 0.099 | 28% | 0.283 | C | S | . | . | trans | -141.6 | 141.8 | -177.6 | -64.4 | 168.7 | 0 | 0 | 0 | 110.8 | Q148 L149 A151 Q157 L161 R184 Q221 | Q148-L153 VanDerWaalsContact O-CD1 3.25Å; Q148-L153 WeakPolarHBondContact O-CD1 3.5Å; Q148-L153 WeakPolarHBondContact O-CG 3.45Å; L149-L153 HydrophobicContact CD2-CD1 3.81Å; A151-L153 PolarHBondContact O-N 3.24Å; L153-Q157 HydrophobicContact CB-CB 4.43Å; L153-Q157 HydrophobicContact CD2-CB 4.07Å; L153-L161 HydrophobicContact CD1-CD1 3.64Å; L153-L161 HydrophobicContact CD2-CD1 3.94Å; L153-L161 HydrophobicContact CG-CD1 4.47Å; L153-R184 PolarHBondContact O-NH2 2.88Å; L153-Q221 PolarHBondContact O-NE2 3.28Å | ||
| 154 | T | 94.9 | Very high | 94.3 | Very high | 79 Ų | 79 | 49.8 Ų | 49.8 | 49% | 0.485 | 27% | 0.268 | S | S | . | . | trans | -72.5 | 159.2 | 167 | 62.8 | 0 | 0 | 0 | 0 | 111.2 | T156 Q157 C158 | T154-T156 VanDerWaalsContact C-N 3.27Å; T154-T156 PolarHBondContact O-N 3Å; T154-Q157 PolarHBondContact O-N 3.46Å; T154-Q157 VanDerWaalsContact O-N 3.16Å; T154-Q157 VanDerWaalsContact OG1-CG 3.26Å; T154-Q157 WeakPolarHBondContact OG1-CG 3.31Å; T154-Q157 PolarHBondContact OG1-N 3.29Å; T154-Q157 PolarHBondContact OG1-OE1 2.97Å; T154-C158 WeakPolarHBondContact O-CB 3.47Å; T154-C158 PolarHBondContact O-N 3.46Å | ||
| 155 | L | 92.8 | Very high | 94.4 | Very high | 64 Ų | 64 | 48.8 Ų | 48.8 | 34% | 0.335 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -55.3 | -41.9 | 176.7 | -171.6 | 60.9 | 0 | 0 | 0 | 112.5 | C158 L159 Q221 A224 | L155-C158 WeakPolarHBondContact O-CB 3.41Å; L155-C158 PolarHBondContact O-N 3.46Å; L155-L159 HydrophobicContact CG-CD1 4.46Å; L155-L159 WeakPolarHBondContact O-CG 3.07Å; L155-L159 PolarHBondContact O-N 3.09Å; L155-Q221 HydrophobicContact CD1-CB 4.23Å; L155-Q221 HydrophobicContact CD1-CG 3.77Å; L155-A224 HydrophobicContact CD1-CB 3.63Å; L155-A224 HydrophobicContact CD2-CB 4.4Å; L155-A224 HydrophobicContact CG-CB 4.4Å |
| 156 | T | 94.7 | Very high | 94.3 | Very high | 87 Ų | 87 | 53.2 Ų | 53.2 | 53% | 0.534 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.3 | -42.3 | 178.7 | -50.8 | 0 | 0 | 0 | 0 | 112.3 | T154 C158 K160 | T154-T156 VanDerWaalsContact C-N 3.27Å; T154-T156 PolarHBondContact O-N 3Å; T156-C158 VanDerWaalsContact C-N 3.34Å; T156-K160 WeakPolarHBondContact O-CG 3.25Å; T156-K160 PolarHBondContact O-N 3.21Å; T156-K160 VanDerWaalsContact O-N 3.16Å |
| 157 | Q | 94 | Very high | 94.1 | Very high | 92 Ų | 92 | 57.4 Ų | 57.4 | 43% | 0.43 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66 | -40.8 | 176 | -72.4 | 163 | -31.3 | 0 | 0 | 111.1 | L153 T154 K160 L161 | L153-Q157 HydrophobicContact CB-CB 4.43Å; L153-Q157 HydrophobicContact CD2-CB 4.07Å; T154-Q157 PolarHBondContact O-N 3.46Å; T154-Q157 VanDerWaalsContact O-N 3.16Å; T154-Q157 VanDerWaalsContact OG1-CG 3.26Å; T154-Q157 WeakPolarHBondContact OG1-CG 3.31Å; T154-Q157 PolarHBondContact OG1-N 3.29Å; T154-Q157 PolarHBondContact OG1-OE1 2.97Å; Q157-K160 PolarHBondContact O-N 3.48Å; Q157-L161 WeakPolarHBondContact O-CB 3.36Å; Q157-L161 WeakPolarHBondContact O-CG 3.26Å; Q157-L161 PolarHBondContact O-N 3.16Å |
| 158 | C | 95.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.3 | -50.7 | 176 | -179.4 | 0 | 0 | 0 | 0 | 111.8 | T154 L155 T156 K160 L161 V162 F180 Q221 | T154-C158 WeakPolarHBondContact O-CB 3.47Å; T154-C158 PolarHBondContact O-N 3.46Å; L155-C158 WeakPolarHBondContact O-CB 3.41Å; L155-C158 PolarHBondContact O-N 3.46Å; T156-C158 VanDerWaalsContact C-N 3.34Å; C158-K160 VanDerWaalsContact C-N 3.33Å; C158-K160 PolarHBondContact O-N 2.88Å; C158-L161 PolarHBondContact O-N 3.01Å; C158-V162 WeakPolarHBondContact O-CG2 3.48Å; C158-V162 PolarHBondContact O-N 3.03Å; C158-F180 VanDerWaalsContact SG-CE2 3.52Å; C158-Q221 HydrophobicContact CB-CG 4.36Å |
| 159 | L | 94.7 | Very high | 93.4 | Very high | 78 Ų | 78 | 55.8 Ų | 55.8 | 41% | 0.408 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.2 | -42.8 | 177.9 | -71.2 | 169.4 | 0 | 0 | 0 | 112.1 | L155 G163 A224 V225 | L155-L159 HydrophobicContact CG-CD1 4.46Å; L155-L159 WeakPolarHBondContact O-CG 3.07Å; L155-L159 PolarHBondContact O-N 3.09Å; L159-G163 PolarHBondContact O-N 3.28Å; L159-A224 HydrophobicContact CD2-CB 4.41Å; L159-V225 HydrophobicContact CD2-CG2 3.84Å |
| 160 | K | 93.1 | Very high | 93.1 | Very high | 133 Ų | 133 | 58.6 Ų | 58.6 | 58% | 0.578 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -62.3 | -48.6 | 176.6 | -73.2 | 179.9 | 178.4 | -173.2 | 0 | 112 | T156 Q157 C158 V162 G163 F164 | T156-K160 WeakPolarHBondContact O-CG 3.25Å; T156-K160 PolarHBondContact O-N 3.21Å; T156-K160 VanDerWaalsContact O-N 3.16Å; Q157-K160 PolarHBondContact O-N 3.48Å; C158-K160 VanDerWaalsContact C-N 3.33Å; C158-K160 PolarHBondContact O-N 2.88Å; K160-V162 PolarHBondContact O-N 2.79Å; K160-G163 PolarHBondContact O-N 3.49Å; K160-F164 HydrophobicContact CB-CE2 4.23Å; K160-F164 WeakPolarHBondContact O-CD2 3.37Å; K160-F164 WeakPolarHBondContact O-CG 3.46Å; K160-F164 PolarHBondContact O-N 2.94Å |
| 161 | L | 93.9 | Very high | 92.8 | Very high | 4 Ų | 4 | 57.2 Ų | 57.2 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.9 | -44 | -179.7 | -74.2 | 171.3 | 0 | 0 | 0 | 112 | Y104 C145 Q148 L149 L153 Q157 C158 G163 F164 L165 | Y104-L161 HydrophobicContact CE2-CD2 4.09Å; C145-L161 HydrophobicContact CB-CD2 4.21Å; Q148-L161 HydrophobicContact CB-CD1 3.65Å; Q148-L161 HydrophobicContact CB-CD2 4.22Å; L149-L161 HydrophobicContact CD2-CB 4.09Å; L149-L161 HydrophobicContact CD2-CD1 4.05Å; L149-L161 HydrophobicContact CG-CB 4.43Å; L149-L161 HydrophobicContact CG-CD1 4.3Å; L153-L161 HydrophobicContact CD1-CD1 3.64Å; L153-L161 HydrophobicContact CD2-CD1 3.94Å; L153-L161 HydrophobicContact CG-CD1 4.47Å; Q157-L161 WeakPolarHBondContact O-CB 3.36Å; Q157-L161 WeakPolarHBondContact O-CG 3.26Å; Q157-L161 PolarHBondContact O-N 3.16Å; C158-L161 PolarHBondContact O-N 3.01Å; L161-G163 VanDerWaalsContact C-N 3.35Å; L161-F164 WeakPolarHBondContact O-CB 3.38Å; L161-F164 PolarHBondContact O-N 3.23Å; L161-L165 WeakPolarHBondContact O-CG 3.4Å; L161-L165 PolarHBondContact O-N 3.33Å |
| 162 | V | 94.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68.7 | -36.9 | 177.2 | -177.6 | 0 | 0 | 0 | 0 | 111.1 | C158 K160 F164 L165 R166 L176 F180 V225 F226 | C158-V162 WeakPolarHBondContact O-CG2 3.48Å; C158-V162 PolarHBondContact O-N 3.03Å; K160-V162 PolarHBondContact O-N 2.79Å; V162-F164 VanDerWaalsContact C-N 3.31Å; V162-F164 PolarHBondContact O-N 2.83Å; V162-L165 PolarHBondContact O-N 3.19Å; V162-L165 VanDerWaalsContact O-N 3.17Å; V162-R166 WeakPolarHBondContact O-CG 3.47Å; V162-R166 PolarHBondContact O-N 3.33Å; V162-L176 HydrophobicContact CG1-CD1 4.38Å; V162-L176 HydrophobicContact CG1-CD2 3.82Å; V162-L176 HydrophobicContact CG1-CG 4.24Å; V162-F180 HydrophobicContact CG2-CD2 4.02Å; V162-F180 HydrophobicContact CG2-CE2 4.49Å; V162-V225 HydrophobicContact CB-CG1 3.8Å; V162-V225 HydrophobicContact CG1-CG1 3.44Å; V162-V225 VanDerWaalsContact CG1-CG1 3.44Å; V162-V225 HydrophobicContact CG2-CG1 3.87Å; V162-V225 HydrophobicContact CG2-CG2 4.23Å; V162-F226 HydrophobicContact CG1-CZ 4.46Å |
| 163 | G | 93.1 | Very high | 92.4 | Very high | 27 Ų | 27 | 57.1 Ų | 57.1 | 28% | 0.278 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58.2 | -41.1 | 171 | 0 | 0 | 0 | 0 | 0 | 112.9 | L159 K160 L161 R166 R167 | L159-G163 PolarHBondContact O-N 3.28Å; K160-G163 PolarHBondContact O-N 3.49Å; L161-G163 VanDerWaalsContact C-N 3.35Å; G163-R166 PolarHBondContact O-N 2.92Å; G163-R167 WeakPolarHBondContact O-CG 3.42Å; G163-R167 PolarHBondContact O-N 3.29Å |
| 164 | F | 91.5 | Very high | 92.2 | Very high | 21 Ų | 21 | 58.6 Ų | 58.6 | 9% | 0.092 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.3 | -44.9 | 172.6 | -67.5 | -42.6 | 0 | 0 | 0 | 112.2 | Y104 E105 F108 K160 L161 V162 R166 R167 M168 | Y104-F164 AromaticContact CD2-CD2 3.75Å; Y104-F164 HydrophobicContact CD2-CD2 3.75Å; Y104-F164 AromaticContact CD2-CE2 3.69Å; Y104-F164 HydrophobicContact CD2-CE2 3.69Å; Y104-F164 HydrophobicContact CG-CD2 4.4Å; Y104-F164 HydrophobicContact CG-CE2 4.25Å; E105-F164 HydrophobicContact CG-CE1 4.04Å; E105-F164 HydrophobicContact CG-CZ 4.15Å; E105-F164 VanDerWaalsContact OE1-CE1 3.26Å; E105-F164 WeakPolarHBondContact OE1-CE1 3.38Å; F108-F164 AromaticContact CD2-CD1 3.77Å; F108-F164 HydrophobicContact CD2-CD1 3.77Å; F108-F164 HydrophobicContact CD2-CE1 4.27Å; F108-F164 HydrophobicContact CE2-CB 3.7Å; F108-F164 AromaticContact CE2-CD1 3.44Å; F108-F164 HydrophobicContact CE2-CD1 3.44Å; F108-F164 VanDerWaalsContact CE2-CD1 3.44Å; F108-F164 HydrophobicContact CE2-CE1 4.34Å; F108-F164 AromaticContact CE2-CG 3.82Å; F108-F164 HydrophobicContact CE2-CG 3.82Å; F108-F164 HydrophobicContact CZ-CB 4.1Å; F108-F164 HydrophobicContact CZ-CD1 4.41Å; F108-F164 VanDerWaalsContact CZ-O 3.28Å; F108-F164 WeakPolarHBondContact CZ-O 3.46Å; K160-F164 HydrophobicContact CB-CE2 4.23Å; K160-F164 WeakPolarHBondContact O-CD2 3.37Å; K160-F164 WeakPolarHBondContact O-CG 3.46Å; K160-F164 PolarHBondContact O-N 2.94Å; L161-F164 WeakPolarHBondContact O-CB 3.38Å; L161-F164 PolarHBondContact O-N 3.23Å; V162-F164 VanDerWaalsContact C-N 3.31Å; V162-F164 PolarHBondContact O-N 2.83Å; F164-R166 VanDerWaalsContact C-N 3.34Å; F164-R166 PolarHBondContact O-N 2.98Å; F164-R167 PolarHBondContact O-N 2.92Å; F164-R167 VanDerWaalsContact O-N 3.15Å; F164-M168 WeakPolarHBondContact O-CG 3.42Å; F164-M168 PolarHBondContact O-N 2.88Å |
| 165 | L | 93.8 | Very high | 92.1 | Very high | 4 Ų | 4 | 59.5 Ų | 59.5 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.1 | -41.3 | 177.6 | -68.7 | 173.4 | 0 | 0 | 0 | 112.1 | L142 C145 L146 L149 L161 V162 R167 M168 L176 | L142-L165 HydrophobicContact CD1-CD2 3.42Å; L142-L165 VanDerWaalsContact CD1-CD2 3.42Å; C145-L165 HydrophobicContact CB-CD2 3.91Å; C145-L165 HydrophobicContact CB-CG 4.34Å; L146-L165 HydrophobicContact CD2-CD1 4.18Å; L146-L165 HydrophobicContact CD2-CD2 4.36Å; L149-L165 HydrophobicContact CD1-CD1 3.58Å; L161-L165 WeakPolarHBondContact O-CG 3.4Å; L161-L165 PolarHBondContact O-N 3.33Å; V162-L165 PolarHBondContact O-N 3.19Å; V162-L165 VanDerWaalsContact O-N 3.17Å; L165-R167 VanDerWaalsContact C-N 3.34Å; L165-R167 PolarHBondContact O-N 3.3Å; L165-M168 PolarHBondContact O-N 3.05Å; L165-L176 HydrophobicContact CB-CD1 3.73Å; L165-L176 HydrophobicContact CD1-CD1 3.86Å; L165-L176 HydrophobicContact CG-CD1 4.44Å |
| 166 | R | 93.4 | Very high | 92.2 | Very high | 93 Ų | 93 | 56.6 Ų | 56.6 | 35% | 0.351 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60 | -42.7 | 173.1 | -71.9 | -175.5 | 179.8 | 128 | -0.3 | 111.8 | V162 G163 F164 M168 D169 E173 L176 V225 | V162-R166 WeakPolarHBondContact O-CG 3.47Å; V162-R166 PolarHBondContact O-N 3.33Å; G163-R166 PolarHBondContact O-N 2.92Å; F164-R166 VanDerWaalsContact C-N 3.34Å; F164-R166 PolarHBondContact O-N 2.98Å; R166-M168 VanDerWaalsContact C-N 3.28Å; R166-M168 PolarHBondContact O-N 2.97Å; R166-D169 PolarHBondContact O-N 3.29Å; R166-D169 VanDerWaalsContact O-N 3.13Å; R166-E173 IonicContact CZ-OE1 3.01Å; R166-E173 IonicContact NE-OE1 2.98Å; R166-E173 PolarHBondContact NE-OE1 3.06Å; R166-E173 IonicContact NE-OE2 2.67Å; R166-E173 PolarHBondContact NE-OE2 3.39Å; R166-E173 IonicContact NH2-OE1 2.63Å; R166-E173 PolarHBondContact NH2-OE1 3.43Å; R166-L176 HydrophobicContact CG-CD2 3.43Å; R166-L176 VanDerWaalsContact CG-CD2 3.43Å; R166-V225 PolarHBondContact NH2-O 2.69Å |
| 167 | R | 90.1 | Very high | 92.1 | Very high | 104 Ų | 104 | 53.1 Ų | 53.1 | 39% | 0.392 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -67.3 | -24.2 | 178 | -75 | 171.5 | 64 | -179.8 | -0.3 | 114.2 | E105 F108 G163 F164 L165 | E105-R167 IonicContact OE1-NH1 3.34Å; E105-R167 PolarHBondContact OE1-NH1 3.33Å; E105-R167 IonicContact OE2-CZ 2.69Å; E105-R167 IonicContact OE2-NH1 3.21Å; E105-R167 PolarHBondContact OE2-NH1 2.91Å; E105-R167 IonicContact OE2-NH2 2.65Å; E105-R167 PolarHBondContact OE2-NH2 3.45Å; E105-R167 VanDerWaalsContact OE2-NH2 3.11Å; F108-R167 HydrophobicContact CD1-CB 4.48Å; F108-R167 HydrophobicContact CE1-CB 3.97Å; F108-R167 HydrophobicContact CZ-CB 4.22Å; G163-R167 WeakPolarHBondContact O-CG 3.42Å; G163-R167 PolarHBondContact O-N 3.29Å; F164-R167 PolarHBondContact O-N 2.92Å; F164-R167 VanDerWaalsContact O-N 3.15Å; L165-R167 VanDerWaalsContact C-N 3.34Å; L165-R167 PolarHBondContact O-N 3.3Å |
| 168 | M | 88.4 | Confident | 92.1 | Very high | 12 Ų | 12 | 53.8 Ų | 53.8 | 6% | 0.059 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -72.3 | -20.8 | 174 | -62.7 | -163.9 | -159.2 | 0 | 0 | 112.8 | F108 L141 L142 F164 L165 R166 V170 | F108-M168 HydrophobicContact CE1-CG 3.61Å; F108-M168 HydrophobicContact CE2-CE 4.2Å; F108-M168 HydrophobicContact CZ-CE 3.62Å; F108-M168 HydrophobicContact CZ-CG 3.42Å; F108-M168 VanDerWaalsContact CZ-CG 3.42Å; F108-M168 HydrophobicContact CZ-SD 4.37Å; L141-M168 HydrophobicContact CB-CE 4.17Å; L141-M168 HydrophobicContact CD1-CE 4.49Å; L141-M168 HydrophobicContact CD2-CE 3.74Å; L141-M168 HydrophobicContact CG-CE 3.46Å; L141-M168 VanDerWaalsContact CG-CE 3.46Å; L142-M168 HydrophobicContact CB-CE 4.49Å; L142-M168 HydrophobicContact CB-SD 3.76Å; L142-M168 HydrophobicContact CD1-SD 4.11Å; F164-M168 WeakPolarHBondContact O-CG 3.42Å; F164-M168 PolarHBondContact O-N 2.88Å; L165-M168 PolarHBondContact O-N 3.05Å; R166-M168 VanDerWaalsContact C-N 3.28Å; R166-M168 PolarHBondContact O-N 2.97Å; M168-V170 HydrophobicContact CB-CG2 3.85Å; M168-V170 PolarHBondContact O-N 3.1Å |
| 169 | D | 88.5 | Confident | 92.1 | Very high | 144 Ų | 144 | 56 Ų | 56 | 77% | 0.77 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 41 | 179.2 | -161.1 | 33.9 | 0 | 0 | 0 | 112.4 | R166 | R166-D169 PolarHBondContact O-N 3.29Å; R166-D169 VanDerWaalsContact O-N 3.13Å |
| 170 | V | 88.8 | Confident | 92.2 | Very high | 59 Ų | 59 | 52.4 Ų | 52.4 | 36% | 0.358 | 26% | 0.262 | S | S | . | . | trans | -95.3 | -29.7 | 179 | 176 | 0 | 0 | 0 | 0 | 111.6 | L142 M168 | L142-V170 HydrophobicContact CD2-CG1 4.04Å; L142-V170 HydrophobicContact CD2-CG2 4.46Å; M168-V170 HydrophobicContact CB-CG2 3.85Å; M168-V170 PolarHBondContact O-N 3.1Å | ||
| 171 | Y | 92 | Very high | 92.3 | Very high | 52 Ų | 52 | 46.3 Ų | 46.3 | 20% | 0.204 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -119.1 | 140.1 | -176.6 | -59 | -57.3 | 0 | 0 | 0 | 109.7 | L142 E175 L176 Q179 | L142-Y171 HydrophobicContact CD1-CE2 3.85Å; Y171-E175 HydrophobicContact CD1-CB 4.19Å; Y171-E175 HydrophobicContact CG-CB 4.43Å; Y171-L176 HydrophobicContact CD2-CD1 4.26Å; Y171-Q179 HydrophobicContact CD1-CG 4.33Å; Y171-Q179 HydrophobicContact CE1-CG 4.02Å; Y171-Q179 HydrophobicContact CE2-CG 4.27Å |
| 172 | S | 91.1 | Very high | 92.5 | Very high | 62 Ų | 62 | 49.5 Ų | 49.5 | 43% | 0.434 | 25% | 0.253 | S | S | . | . | trans | -62.2 | 162.6 | 158.1 | 63.8 | 0 | 0 | 0 | 0 | 110.7 | A174 E175 L176 | S172-A174 VanDerWaalsContact C-N 3.26Å; S172-A174 PolarHBondContact O-N 3.23Å; S172-E175 WeakPolarHBondContact CB-OE2 3.5Å; S172-E175 PolarHBondContact N-OE2 2.84Å; S172-E175 PolarHBondContact O-N 3.02Å; S172-E175 VanDerWaalsContact O-N 3.17Å; S172-E175 WeakPolarHBondContact OG-CB 3.38Å; S172-E175 VanDerWaalsContact OG-CD 3.22Å; S172-E175 VanDerWaalsContact OG-CG 3.24Å; S172-E175 WeakPolarHBondContact OG-CG 3.42Å; S172-E175 PolarHBondContact OG-N 3.44Å; S172-E175 PolarHBondContact OG-OE2 3.36Å; S172-L176 WeakPolarHBondContact O-CB 3.36Å; S172-L176 PolarHBondContact O-N 3.32Å | ||
| 173 | E | 88.9 | Confident | 92.6 | Very high | 66 Ų | 66 | 49.5 Ų | 49.5 | 31% | 0.308 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.6 | -36.5 | -178.8 | -167.3 | 63.3 | -161.2 | 0 | 0 | 112.3 | R166 L176 Q177 F226 | R166-E173 IonicContact CZ-OE1 3.01Å; R166-E173 IonicContact NE-OE1 2.98Å; R166-E173 PolarHBondContact NE-OE1 3.06Å; R166-E173 IonicContact NE-OE2 2.67Å; R166-E173 PolarHBondContact NE-OE2 3.39Å; R166-E173 IonicContact NH2-OE1 2.63Å; R166-E173 PolarHBondContact NH2-OE1 3.43Å; E173-L176 PolarHBondContact O-N 2.85Å; E173-Q177 WeakPolarHBondContact O-CG 3.15Å; E173-Q177 PolarHBondContact O-N 3.47Å; E173-F226 WeakPolarHBondContact OE1-CD1 3.5Å; E173-F226 VanDerWaalsContact OE1-CE1 3.31Å; E173-F226 WeakPolarHBondContact OE1-CE1 3.35Å |
| 174 | A | 89.4 | Confident | 92.8 | Very high | 49 Ų | 49 | 48.3 Ų | 48.3 | 41% | 0.405 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -67.1 | -43.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S172 L176 Q177 F178 | S172-A174 VanDerWaalsContact C-N 3.26Å; S172-A174 PolarHBondContact O-N 3.23Å; A174-L176 VanDerWaalsContact C-N 3.31Å; A174-L176 PolarHBondContact O-N 3.05Å; A174-Q177 PolarHBondContact O-N 3.06Å; A174-F178 PolarHBondContact O-N 2.94Å; A174-F178 VanDerWaalsContact O-N 3.09Å |
| 175 | E | 92.6 | Very high | 93.1 | Very high | 99 Ų | 99 | 48.6 Ų | 48.6 | 46% | 0.463 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64 | -38.5 | 174.5 | -71.9 | 165.4 | 144 | 0 | 0 | 111.2 | Y171 S172 F178 Q179 | Y171-E175 HydrophobicContact CD1-CB 4.19Å; Y171-E175 HydrophobicContact CG-CB 4.43Å; S172-E175 WeakPolarHBondContact CB-OE2 3.5Å; S172-E175 PolarHBondContact N-OE2 2.84Å; S172-E175 PolarHBondContact O-N 3.02Å; S172-E175 VanDerWaalsContact O-N 3.17Å; S172-E175 WeakPolarHBondContact OG-CB 3.38Å; S172-E175 VanDerWaalsContact OG-CD 3.22Å; S172-E175 VanDerWaalsContact OG-CG 3.24Å; S172-E175 WeakPolarHBondContact OG-CG 3.42Å; S172-E175 PolarHBondContact OG-N 3.44Å; S172-E175 PolarHBondContact OG-OE2 3.36Å; E175-F178 PolarHBondContact O-N 2.64Å; E175-Q179 WeakPolarHBondContact O-CB 3.45Å; E175-Q179 VanDerWaalsContact O-CG 3.25Å; E175-Q179 WeakPolarHBondContact O-CG 3.25Å; E175-Q179 PolarHBondContact O-N 3.4Å |
| 176 | L | 94 | Very high | 93.3 | Very high | 3 Ų | 3 | 50.9 Ų | 50.9 | 2% | 0.016 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.7 | -42.2 | 178.3 | -178.6 | 59.7 | 0 | 0 | 0 | 111.9 | V162 L165 R166 Y171 S172 E173 A174 F178 Q179 F180 F226 | V162-L176 HydrophobicContact CG1-CD1 4.38Å; V162-L176 HydrophobicContact CG1-CD2 3.82Å; V162-L176 HydrophobicContact CG1-CG 4.24Å; L165-L176 HydrophobicContact CB-CD1 3.73Å; L165-L176 HydrophobicContact CD1-CD1 3.86Å; L165-L176 HydrophobicContact CG-CD1 4.44Å; R166-L176 HydrophobicContact CG-CD2 3.43Å; R166-L176 VanDerWaalsContact CG-CD2 3.43Å; Y171-L176 HydrophobicContact CD2-CD1 4.26Å; S172-L176 WeakPolarHBondContact O-CB 3.36Å; S172-L176 PolarHBondContact O-N 3.32Å; E173-L176 PolarHBondContact O-N 2.85Å; A174-L176 VanDerWaalsContact C-N 3.31Å; A174-L176 PolarHBondContact O-N 3.05Å; L176-F178 VanDerWaalsContact C-N 3.34Å; L176-Q179 PolarHBondContact O-N 3.24Å; L176-F180 VanDerWaalsContact O-CB 3.26Å; L176-F180 WeakPolarHBondContact O-CB 3.27Å; L176-F180 PolarHBondContact O-N 3.44Å; L176-F226 HydrophobicContact CD2-CE1 4.43Å; L176-F226 HydrophobicContact CG-CE1 4.29Å; L176-F226 HydrophobicContact CG-CZ 4.37Å |
| 177 | Q | 93.9 | Very high | 93.4 | Very high | 13 Ų | 13 | 47.1 Ų | 47.1 | 6% | 0.061 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.3 | -44.5 | 173 | -74.7 | 178.9 | 17.1 | 0 | 0 | 112 | E173 A174 F180 L181 Y222 F226 C246 V249 | E173-Q177 WeakPolarHBondContact O-CG 3.15Å; E173-Q177 PolarHBondContact O-N 3.47Å; A174-Q177 PolarHBondContact O-N 3.06Å; Q177-F180 PolarHBondContact O-N 3.24Å; Q177-L181 WeakPolarHBondContact O-CG 3.43Å; Q177-L181 PolarHBondContact O-N 2.9Å; Q177-Y222 HydrophobicContact CB-CE2 4.18Å; Q177-Y222 HydrophobicContact CG-CE2 4.24Å; Q177-Y222 PolarHBondContact OE1-OH 2.83Å; Q177-F226 HydrophobicContact CB-CE1 4.35Å; Q177-F226 HydrophobicContact CB-CE2 4.49Å; Q177-F226 HydrophobicContact CB-CZ 4.24Å; Q177-F226 HydrophobicContact CG-CD1 3.41Å; Q177-F226 VanDerWaalsContact CG-CD1 3.41Å; Q177-F226 HydrophobicContact CG-CD2 3.99Å; Q177-F226 HydrophobicContact CG-CE1 3.36Å; Q177-F226 HydrophobicContact CG-CE2 3.96Å; Q177-F226 HydrophobicContact CG-CG 3.74Å; Q177-F226 HydrophobicContact CG-CZ 3.66Å; Q177-C246 VanDerWaalsContact CD-SG 3.57Å; Q177-C246 PolarHBondContact OE1-SG 2.74Å; Q177-V249 HydrophobicContact CB-CG1 4.33Å |
| 178 | F | 94 | Very high | 93.7 | Very high | 107 Ų | 107 | 42.1 Ų | 42.1 | 47% | 0.469 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -64.9 | -46 | 177.7 | -174.1 | -106.6 | 0 | 0 | 0 | 111.6 | A174 E175 L176 F180 L181 L182 V249 | A174-F178 PolarHBondContact O-N 2.94Å; A174-F178 VanDerWaalsContact O-N 3.09Å; E175-F178 PolarHBondContact O-N 2.64Å; L176-F178 VanDerWaalsContact C-N 3.34Å; F178-F180 VanDerWaalsContact C-N 3.32Å; F178-F180 PolarHBondContact O-N 3.43Å; F178-L181 PolarHBondContact O-N 2.88Å; F178-L182 HydrophobicContact CD1-CD1 3.64Å; F178-L182 HydrophobicContact CD1-CG 4.11Å; F178-L182 HydrophobicContact CE1-CD1 3.31Å; F178-L182 HydrophobicContact CE1-CD2 4.27Å; F178-L182 HydrophobicContact CE1-CG 3.84Å; F178-L182 HydrophobicContact CZ-CD1 4Å; F178-L182 HydrophobicContact CZ-CD2 4.1Å; F178-L182 HydrophobicContact CZ-CG 4.08Å; F178-L182 WeakPolarHBondContact O-CB 3.33Å; F178-L182 WeakPolarHBondContact O-CG 3.49Å; F178-L182 PolarHBondContact O-N 3.02Å; F178-V249 HydrophobicContact CD2-CG2 4.1Å |
| 179 | Q | 95 | Very high | 94.1 | Very high | 47 Ų | 47 | 44.9 Ų | 44.9 | 22% | 0.22 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.4 | -38.8 | 176.6 | -73.1 | -61.1 | -23.8 | 0 | 0 | 112.4 | Y171 E175 L176 L182 C183 | Y171-Q179 HydrophobicContact CD1-CG 4.33Å; Y171-Q179 HydrophobicContact CE1-CG 4.02Å; Y171-Q179 HydrophobicContact CE2-CG 4.27Å; E175-Q179 WeakPolarHBondContact O-CB 3.45Å; E175-Q179 VanDerWaalsContact O-CG 3.25Å; E175-Q179 WeakPolarHBondContact O-CG 3.25Å; E175-Q179 PolarHBondContact O-N 3.4Å; L176-Q179 PolarHBondContact O-N 3.24Å; Q179-L182 PolarHBondContact O-N 3.43Å; Q179-C183 WeakPolarHBondContact O-CB 3.38Å; Q179-C183 PolarHBondContact O-N 3.24Å; Q179-C183 PolarHBondContact O-SG 2.95Å |
| 180 | F | 96.1 | Very high | 94.4 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 0% | 0.004 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.8 | -52.1 | 173.5 | 171.9 | -90.3 | 0 | 0 | 0 | 110.7 | L149 C158 V162 L176 Q177 F178 L182 C183 R184 V218 Q221 Y222 F226 | L149-F180 HydrophobicContact CD2-CD2 4.36Å; L149-F180 HydrophobicContact CD2-CE2 4.43Å; C158-F180 VanDerWaalsContact SG-CE2 3.52Å; V162-F180 HydrophobicContact CG2-CD2 4.02Å; V162-F180 HydrophobicContact CG2-CE2 4.49Å; L176-F180 VanDerWaalsContact O-CB 3.26Å; L176-F180 WeakPolarHBondContact O-CB 3.27Å; L176-F180 PolarHBondContact O-N 3.44Å; Q177-F180 PolarHBondContact O-N 3.24Å; F178-F180 VanDerWaalsContact C-N 3.32Å; F178-F180 PolarHBondContact O-N 3.43Å; F180-L182 PolarHBondContact O-N 3.46Å; F180-C183 PolarHBondContact O-N 2.99Å; F180-R184 HydrophobicContact CD1-CG 4.32Å; F180-R184 HydrophobicContact CD2-CG 4.43Å; F180-R184 HydrophobicContact CE1-CG 3.77Å; F180-R184 HydrophobicContact CE2-CG 3.88Å; F180-R184 HydrophobicContact CZ-CG 3.53Å; F180-R184 WeakPolarHBondContact O-CB 3.48Å; F180-R184 PolarHBondContact O-N 2.91Å; F180-V218 HydrophobicContact CE1-CG1 4.43Å; F180-Q221 HydrophobicContact CZ-CB 3.94Å; F180-Y222 AromaticContact CD1-CD2 3.76Å; F180-Y222 HydrophobicContact CD1-CD2 3.76Å; F180-Y222 AromaticContact CE1-CD2 3.91Å; F180-Y222 HydrophobicContact CE1-CD2 3.91Å; F180-Y222 HydrophobicContact CE1-CG 4.4Å; F180-F226 HydrophobicContact CB-CE2 4.03Å; F180-F226 HydrophobicContact CB-CZ 4.04Å; F180-F226 AromaticContact CD1-CE2 3.93Å; F180-F226 HydrophobicContact CD1-CE2 3.93Å; F180-F226 HydrophobicContact CD2-CE2 4.48Å; F180-F226 AromaticContact CG-CE2 3.86Å; F180-F226 HydrophobicContact CG-CE2 3.86Å; F180-F226 HydrophobicContact CG-CZ 4.29Å |
| 181 | L | 96.1 | Very high | 94.6 | Very high | 5 Ų | 5 | 40.2 Ų | 40.2 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.3 | -45.5 | 179 | -72 | 173.3 | 0 | 0 | 0 | 110.6 | Q177 F178 C183 R184 D185 V218 Y222 V249 V250 W253 | Q177-L181 WeakPolarHBondContact O-CG 3.43Å; Q177-L181 PolarHBondContact O-N 2.9Å; F178-L181 PolarHBondContact O-N 2.88Å; L181-C183 VanDerWaalsContact C-N 3.33Å; L181-C183 PolarHBondContact O-N 3.43Å; L181-R184 PolarHBondContact O-N 3.32Å; L181-D185 WeakPolarHBondContact O-CA 3.19Å; L181-D185 WeakPolarHBondContact O-CB 3.4Å; L181-D185 PolarHBondContact O-N 3.42Å; L181-V218 HydrophobicContact CD2-CG1 4.22Å; L181-Y222 HydrophobicContact CD1-CD2 4.37Å; L181-Y222 HydrophobicContact CD1-CE2 3.94Å; L181-Y222 HydrophobicContact CD2-CD2 3.78Å; L181-Y222 HydrophobicContact CD2-CE2 4.2Å; L181-Y222 HydrophobicContact CG-CD2 4Å; L181-Y222 HydrophobicContact CG-CE2 3.98Å; L181-V249 HydrophobicContact CD1-CB 4.44Å; L181-V249 HydrophobicContact CD1-CG1 3.91Å; L181-V249 HydrophobicContact CD1-CG2 3.99Å; L181-V250 HydrophobicContact CD1-CB 4.5Å; L181-W253 HydrophobicContact CD1-CB 4.07Å; L181-W253 HydrophobicContact CD1-CG 4.47Å; L181-W253 HydrophobicContact CD2-CB 4.44Å; L181-W253 HydrophobicContact CD2-CD2 4.06Å; L181-W253 HydrophobicContact CD2-CE3 4.3Å; L181-W253 HydrophobicContact CD2-CG 4.1Å |
| 182 | L | 96.6 | Very high | 94.7 | Very high | 72 Ų | 72 | 39.1 Ų | 39.1 | 38% | 0.377 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -56.6 | -42.7 | 175.5 | -76.2 | 178.9 | 0 | 0 | 0 | 113.3 | F178 Q179 F180 S186 | F178-L182 HydrophobicContact CD1-CD1 3.64Å; F178-L182 HydrophobicContact CD1-CG 4.11Å; F178-L182 HydrophobicContact CE1-CD1 3.31Å; F178-L182 HydrophobicContact CE1-CD2 4.27Å; F178-L182 HydrophobicContact CE1-CG 3.84Å; F178-L182 HydrophobicContact CZ-CD1 4Å; F178-L182 HydrophobicContact CZ-CD2 4.1Å; F178-L182 HydrophobicContact CZ-CG 4.08Å; F178-L182 WeakPolarHBondContact O-CB 3.33Å; F178-L182 WeakPolarHBondContact O-CG 3.49Å; F178-L182 PolarHBondContact O-N 3.02Å; Q179-L182 PolarHBondContact O-N 3.43Å; F180-L182 PolarHBondContact O-N 3.46Å; L182-S186 WeakPolarHBondContact O-CB 3.34Å; L182-S186 PolarHBondContact O-N 3.49Å |
| 183 | C | 98 | Very high | 94.7 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.8 | -44.1 | 179 | -67.2 | 0 | 0 | 0 | 0 | 111.2 | L149 R150 Q179 F180 L181 D185 S186 W187 | L149-C183 HydrophobicContact CB-CB 3.58Å; R150-C183 HydrophobicContact CG-CB 3.87Å; Q179-C183 WeakPolarHBondContact O-CB 3.38Å; Q179-C183 PolarHBondContact O-N 3.24Å; Q179-C183 PolarHBondContact O-SG 2.95Å; F180-C183 PolarHBondContact O-N 2.99Å; L181-C183 VanDerWaalsContact C-N 3.33Å; L181-C183 PolarHBondContact O-N 3.43Å; C183-D185 VanDerWaalsContact C-N 3.31Å; C183-D185 PolarHBondContact O-N 2.91Å; C183-S186 PolarHBondContact O-N 3.39Å; C183-W187 PolarHBondContact O-N 3.25Å; C183-W187 VanDerWaalsContact O-N 3.1Å |
| 184 | R | 97.2 | Very high | 94.3 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 0% | 0.004 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.7 | -36.6 | 177.1 | -78.5 | -41 | -146.1 | 177.3 | 18.1 | 113.3 | L149 A151 L153 F180 L181 W187 L188 V218 | L149-R184 WeakPolarHBondContact O-CD 3.45Å; L149-R184 PolarHBondContact O-NH1 3.39Å; L149-R184 VanDerWaalsContact O-NH1 3.09Å; A151-R184 PolarHBondContact O-NH1 2.81Å; L153-R184 PolarHBondContact O-NH2 2.88Å; F180-R184 HydrophobicContact CD1-CG 4.32Å; F180-R184 HydrophobicContact CD2-CG 4.43Å; F180-R184 HydrophobicContact CE1-CG 3.77Å; F180-R184 HydrophobicContact CE2-CG 3.88Å; F180-R184 HydrophobicContact CZ-CG 3.53Å; F180-R184 WeakPolarHBondContact O-CB 3.48Å; F180-R184 PolarHBondContact O-N 2.91Å; L181-R184 PolarHBondContact O-N 3.32Å; R184-W187 WeakPolarHBondContact O-CB 3.31Å; R184-W187 PolarHBondContact O-N 3.45Å; R184-L188 PolarHBondContact O-N 3.47Å; R184-V218 HydrophobicContact CB-CB 4.47Å; R184-V218 HydrophobicContact CB-CG1 3.89Å; R184-V218 HydrophobicContact CB-CG2 3.69Å; R184-V218 HydrophobicContact CG-CG1 4.19Å; R184-V218 HydrophobicContact CG-CG2 3.97Å |
| 185 | D | 97.4 | Very high | 93.5 | Very high | 27 Ų | 27 | 51.6 Ų | 51.6 | 14% | 0.144 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.4 | -45.7 | 174.9 | -171.3 | 74.9 | 0 | 0 | 0 | 111.8 | L181 C183 W187 L188 Q189 W253 R257 | L181-D185 WeakPolarHBondContact O-CA 3.19Å; L181-D185 WeakPolarHBondContact O-CB 3.4Å; L181-D185 PolarHBondContact O-N 3.42Å; C183-D185 VanDerWaalsContact C-N 3.31Å; C183-D185 PolarHBondContact O-N 2.91Å; D185-W187 VanDerWaalsContact C-N 3.29Å; D185-W187 PolarHBondContact O-N 2.85Å; D185-L188 PolarHBondContact O-N 3.38Å; D185-Q189 WeakPolarHBondContact O-CB 3.44Å; D185-Q189 PolarHBondContact O-N 2.92Å; D185-W253 PolarHBondContact OD1-NE1 3.16Å; D185-R257 IonicContact OD1-CZ 2.66Å; D185-R257 IonicContact OD1-NE 3.49Å; D185-R257 PolarHBondContact OD1-NE 3.37Å; D185-R257 IonicContact OD1-NH2 2.81Å; D185-R257 PolarHBondContact OD1-NH2 2.61Å; D185-R257 IonicContact OD2-CZ 3.68Å; D185-R257 IonicContact OD2-NH2 3.57Å; D185-R257 PolarHBondContact OD2-NH2 3.32Å |
| 186 | S | 97 | Very high | 92.8 | Very high | 53 Ų | 53 | 52.1 Ų | 52.1 | 37% | 0.371 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.4 | -37 | 173.6 | 176.1 | 0 | 0 | 0 | 0 | 112.5 | L182 C183 S190 | L182-S186 WeakPolarHBondContact O-CB 3.34Å; L182-S186 PolarHBondContact O-N 3.49Å; C183-S186 PolarHBondContact O-N 3.39Å; S186-S190 PolarHBondContact O-N 2.95Å |
| 187 | W | 96.5 | Very high | 92.5 | Very high | 13 Ų | 13 | 54.9 Ų | 54.9 | 5% | 0.049 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.2 | -50.3 | 173.5 | 169.7 | 63.3 | 0 | 0 | 0 | 111.5 | R150 P152 C183 R184 D185 Q189 S190 Q191 A214 V218 | R150-W187 WeakPolarHBondContact O-CB 3.39Å; P152-W187 HydrophobicContact CB-CZ2 4.4Å; C183-W187 PolarHBondContact O-N 3.25Å; C183-W187 VanDerWaalsContact O-N 3.1Å; R184-W187 WeakPolarHBondContact O-CB 3.31Å; R184-W187 PolarHBondContact O-N 3.45Å; D185-W187 VanDerWaalsContact C-N 3.29Å; D185-W187 PolarHBondContact O-N 2.85Å; W187-Q189 VanDerWaalsContact C-N 3.3Å; W187-Q189 PolarHBondContact O-N 3.28Å; W187-S190 WeakPolarHBondContact O-CB 3.33Å; W187-S190 PolarHBondContact O-N 2.89Å; W187-S190 VanDerWaalsContact O-N 3.08Å; W187-S190 PolarHBondContact O-OG 3.34Å; W187-Q191 HydrophobicContact CZ2-CG 4.46Å; W187-Q191 PolarHBondContact O-N 2.81Å; W187-Q191 VanDerWaalsContact O-N 3.15Å; W187-A214 HydrophobicContact CE3-CB 4.36Å; W187-A214 HydrophobicContact CH2-CB 3.81Å; W187-A214 HydrophobicContact CZ3-CB 3.57Å; W187-V218 HydrophobicContact CE3-CG2 4.31Å; W187-V218 HydrophobicContact CZ3-CG2 4.12Å |
| 188 | L | 96.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -56.1 | -45.8 | 177 | 176.4 | 146.6 | 0 | 0 | 0 | 111 | R184 D185 S190 Q191 L192 A214 M215 W253 | R184-L188 PolarHBondContact O-N 3.47Å; D185-L188 PolarHBondContact O-N 3.38Å; L188-S190 VanDerWaalsContact C-N 3.32Å; L188-S190 PolarHBondContact O-N 2.94Å; L188-Q191 WeakPolarHBondContact O-CB 3.45Å; L188-Q191 PolarHBondContact O-N 2.9Å; L188-Q191 VanDerWaalsContact O-N 3.08Å; L188-L192 HydrophobicContact CD2-CD1 3.7Å; L188-L192 HydrophobicContact CD2-CG 4.47Å; L188-L192 PolarHBondContact O-N 3.16Å; L188-L192 VanDerWaalsContact O-N 3.17Å; L188-A214 HydrophobicContact CB-CB 4.27Å; L188-A214 HydrophobicContact CD1-CB 3.68Å; L188-A214 HydrophobicContact CG-CB 4.06Å; L188-M215 HydrophobicContact CD1-CG 4.12Å; L188-M215 HydrophobicContact CD1-SD 3.69Å; L188-W253 HydrophobicContact CD1-CZ2 4.46Å |
| 189 | Q | 96.1 | Very high | 91.8 | Very high | 69 Ų | 69 | 57.1 Ų | 57.1 | 32% | 0.322 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.7 | -42.2 | 176.7 | -170.2 | 60.9 | 50.5 | 0 | 0 | 111.8 | D185 W187 Q191 L192 D193 | D185-Q189 WeakPolarHBondContact O-CB 3.44Å; D185-Q189 PolarHBondContact O-N 2.92Å; W187-Q189 VanDerWaalsContact C-N 3.3Å; W187-Q189 PolarHBondContact O-N 3.28Å; Q189-Q191 PolarHBondContact O-N 3.29Å; Q189-L192 PolarHBondContact O-N 3.31Å; Q189-D193 PolarHBondContact NE2-OD1 2.73Å; Q189-D193 PolarHBondContact O-N 2.99Å |
| 190 | S | 94.7 | Very high | 91.4 | Very high | 55 Ų | 55 | 57 Ų | 57 | 39% | 0.385 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.8 | -28.8 | 176.8 | 79.1 | 0 | 0 | 0 | 0 | 113.5 | S186 W187 L188 | S186-S190 PolarHBondContact O-N 2.95Å; W187-S190 WeakPolarHBondContact O-CB 3.33Å; W187-S190 PolarHBondContact O-N 2.89Å; W187-S190 VanDerWaalsContact O-N 3.08Å; W187-S190 PolarHBondContact O-OG 3.34Å; L188-S190 VanDerWaalsContact C-N 3.32Å; L188-S190 PolarHBondContact O-N 2.94Å |
| 191 | Q | 93.8 | Very high | 91.2 | Very high | 51 Ų | 51 | 58.1 Ų | 58.1 | 24% | 0.238 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -75.6 | -32.4 | 175.2 | -62.2 | -51.4 | -53.7 | 0 | 0 | 112.1 | W187 L188 Q189 H206 V210 | W187-Q191 HydrophobicContact CZ2-CG 4.46Å; W187-Q191 PolarHBondContact O-N 2.81Å; W187-Q191 VanDerWaalsContact O-N 3.15Å; L188-Q191 WeakPolarHBondContact O-CB 3.45Å; L188-Q191 PolarHBondContact O-N 2.9Å; L188-Q191 VanDerWaalsContact O-N 3.08Å; Q189-Q191 PolarHBondContact O-N 3.29Å; Q191-H206 PolarHBondContact O-NE2 3.26Å; Q191-V210 HydrophobicContact CB-CG1 3.54Å; Q191-V210 HydrophobicContact CB-CG2 4.05Å |
| 192 | L | 94.1 | Very high | 90.9 | Very high | 29 Ų | 29 | 62 Ų | 62 | 15% | 0.152 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -75.2 | -30.2 | 175.7 | -65.2 | 174.6 | 0 | 0 | 0 | 112.5 | L188 Q189 K194 I207 V210 Y211 | L188-L192 HydrophobicContact CD2-CD1 3.7Å; L188-L192 HydrophobicContact CD2-CG 4.47Å; L188-L192 PolarHBondContact O-N 3.16Å; L188-L192 VanDerWaalsContact O-N 3.17Å; Q189-L192 PolarHBondContact O-N 3.31Å; L192-K194 PolarHBondContact O-N 3.37Å; L192-I207 HydrophobicContact CD2-CB 4.44Å; L192-I207 HydrophobicContact CD2-CG1 4.27Å; L192-I207 HydrophobicContact CD2-CG2 4.18Å; L192-V210 HydrophobicContact CD2-CB 3.92Å; L192-V210 HydrophobicContact CD2-CG1 3.58Å; L192-V210 HydrophobicContact CG-CG1 3.9Å; L192-Y211 HydrophobicContact CD1-CD2 4.37Å; L192-Y211 HydrophobicContact CD1-CE2 3.56Å; L192-Y211 HydrophobicContact CD2-CD2 3.84Å; L192-Y211 HydrophobicContact CD2-CE2 3.71Å; L192-Y211 HydrophobicContact CG-CE2 4.29Å |
| 193 | D | 91.5 | Very high | 90.7 | Very high | 91 Ų | 91 | 63.3 Ų | 63.3 | 49% | 0.487 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | 1.6 | -176.8 | -69.7 | -15.4 | 0 | 0 | 0 | 114.5 | Q189 R195 | Q189-D193 PolarHBondContact NE2-OD1 2.73Å; Q189-D193 PolarHBondContact O-N 2.99Å; D193-R195 WeakPolarHBondContact O-CG 3.29Å; D193-R195 PolarHBondContact O-N 3.03Å |
| 194 | K | 80.2 | Confident | 90.5 | Very high | 110 Ų | 110 | 63.4 Ų | 63.4 | 48% | 0.478 | 32% | 0.319 | S | S | . | . | trans | -59.3 | 124.9 | 171.3 | -66.8 | -175 | -165.9 | 170 | 0 | 108.9 | L192 F197 | L192-K194 PolarHBondContact O-N 3.37Å; K194-F197 HydrophobicContact CB-CZ 4.32Å; K194-F197 WeakPolarHBondContact O-CE2 3.38Å | ||
| 195 | R | 72.4 | Confident | 90.3 | Very high | 237 Ų | 237 | 64.1 Ų | 64.1 | 89% | 0.894 | 32% | 0.323 | S | S | * | . | trans | -102.5 | -19.9 | -166.7 | -60.7 | -169 | 178.3 | 178 | -3.2 | 115.9 | D193 F197 | D193-R195 WeakPolarHBondContact O-CG 3.29Å; D193-R195 PolarHBondContact O-N 3.03Å; R195-F197 PolarHBondContact O-N 3.41Å | ||
| 196 | S | 78.7 | Confident | 90.1 | Very high | 111 Ų | 111 | 64.1 Ų | 64.1 | 78% | 0.776 | 32% | 0.322 | S | S | * | . | trans | -93.2 | 99.8 | -171.4 | 56.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 197 | F | 86.7 | Confident | 90 | Very high | 61 Ų | 61 | 62.1 Ų | 62.1 | 27% | 0.268 | 31% | 0.307 | S | S | . | . | trans | -127.5 | 147 | 168 | -56.8 | -73.5 | 0 | 0 | 0 | 109.4 | K194 R195 Q202 R203 H206 | K194-F197 HydrophobicContact CB-CZ 4.32Å; K194-F197 WeakPolarHBondContact O-CE2 3.38Å; R195-F197 PolarHBondContact O-N 3.41Å; F197-Q202 HydrophobicContact CB-CB 4.43Å; F197-Q202 HydrophobicContact CD1-CB 4.33Å; F197-R203 HydrophobicContact CB-CB 3.95Å; F197-R203 HydrophobicContact CD1-CB 4.36Å; F197-R203 HydrophobicContact CD2-CB 3.55Å; F197-R203 HydrophobicContact CD2-CG 3.65Å; F197-R203 HydrophobicContact CE2-CB 4.14Å; F197-R203 HydrophobicContact CE2-CG 3.88Å; F197-R203 HydrophobicContact CG-CB 3.68Å; F197-R203 HydrophobicContact CG-CG 4.3Å; F197-H206 HydrophobicContact CD1-CB 4.46Å; F197-H206 HydrophobicContact CE1-CB 3.49Å; F197-H206 VanDerWaalsContact CE1-CB 3.49Å; F197-H206 AromaticContact CE1-CD2 3.98Å; F197-H206 AromaticContact CE1-CG 3.61Å; F197-H206 HydrophobicContact CZ-CB 3.75Å; F197-H206 AromaticContact CZ-CD2 3.36Å; F197-H206 WeakPolarHBondContact CZ-CD2 3.25Å; F197-H206 AromaticContact CZ-CG 3.5Å | ||
| 198 | S | 85.6 | Confident | 90 | Very high | 95 Ų | 95 | 61.7 Ų | 61.7 | 66% | 0.664 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -77.2 | -30.7 | 178.2 | 63.8 | 0 | 0 | 0 | 0 | 112.6 | Q202 | S198-Q202 PolarHBondContact OG-NE2 3Å; S198-Q202 PolarHBondContact OG-OE1 3.48Å |
| 199 | D | 87.4 | Confident | 89.8 | Confident | 71 Ų | 71 | 67 Ų | 67 | 38% | 0.38 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -146.7 | 169.1 | 179.6 | 60.3 | 23.5 | 0 | 0 | 0 | 111.5 | Y201 Q202 R203 | D199-Y201 VanDerWaalsContact C-N 3.26Å; D199-Y201 PolarHBondContact O-N 2.89Å; D199-Y201 PolarHBondContact OD1-N 3.38Å; D199-Q202 PolarHBondContact O-N 3.22Å; D199-Q202 VanDerWaalsContact OD1-CB 3.24Å; D199-Q202 WeakPolarHBondContact OD1-CB 3.5Å; D199-Q202 WeakPolarHBondContact OD1-CG 3.26Å; D199-Q202 PolarHBondContact OD1-N 2.99Å; D199-R203 PolarHBondContact O-N 3.28Å |
| 200 | E | 87.8 | Confident | 89.8 | Confident | 44 Ų | 44 | 64.3 Ų | 64.3 | 21% | 0.206 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -69.7 | -25.6 | -179.9 | -161.1 | 64.6 | -158.2 | 0 | 0 | 112 | R203 L204 C268 H271 | E200-R203 PolarHBondContact O-N 3.49Å; E200-R203 WeakPolarHBondContact OE1-CD 3.37Å; E200-R203 IonicContact OE1-CZ 3.3Å; E200-R203 IonicContact OE1-NE 3.63Å; E200-R203 IonicContact OE1-NH1 2.64Å; E200-R203 PolarHBondContact OE1-NH1 2.74Å; E200-R203 IonicContact OE2-NH1 3.96Å; E200-R203 PolarHBondContact OE2-NH1 2.94Å; E200-R203 VanDerWaalsContact OE2-NH1 3.14Å; E200-L204 WeakPolarHBondContact O-CB 3.11Å; E200-L204 PolarHBondContact O-N 3.24Å; E200-C268 HydrophobicContact CG-CB 4.15Å; E200-C268 PolarHBondContact OE1-SG 2.85Å; E200-H271 HydrophobicContact CB-CB 4.28Å; E200-H271 HydrophobicContact CG-CB 4.16Å |
| 201 | Y | 90.5 | Very high | 89.8 | Confident | 25 Ų | 25 | 61.9 Ų | 61.9 | 10% | 0.098 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.5 | -49.6 | 174.9 | 171.1 | -95.6 | 0 | 0 | 0 | 111.4 | D199 R203 L204 N205 R276 S279 I280 | D199-Y201 VanDerWaalsContact C-N 3.26Å; D199-Y201 PolarHBondContact O-N 2.89Å; D199-Y201 PolarHBondContact OD1-N 3.38Å; Y201-R203 VanDerWaalsContact C-N 3.34Å; Y201-L204 PolarHBondContact O-N 2.79Å; Y201-N205 WeakPolarHBondContact CD1-ND2 3.45Å; Y201-N205 WeakPolarHBondContact CE1-ND2 3.5Å; Y201-N205 VanDerWaalsContact CE2-ND2 3.34Å; Y201-N205 WeakPolarHBondContact CE2-ND2 3.32Å; Y201-N205 PolarHBondContact O-N 3.36Å; Y201-N205 PolarHBondContact O-ND2 3.48Å; Y201-R276 HydrophobicContact CD2-CB 3.55Å; Y201-R276 HydrophobicContact CD2-CG 4.16Å; Y201-R276 HydrophobicContact CE2-CB 3.64Å; Y201-R276 HydrophobicContact CE2-CG 4.32Å; Y201-R276 HydrophobicContact CG-CB 4.43Å; Y201-R276 PolarHBondContact OH-NH2 3.09Å; Y201-S279 PolarHBondContact OH-OG 3.08Å; Y201-I280 HydrophobicContact CD2-CD1 3.4Å; Y201-I280 VanDerWaalsContact CD2-CD1 3.4Å; Y201-I280 HydrophobicContact CD2-CG1 3.77Å; Y201-I280 HydrophobicContact CE2-CD1 3.83Å; Y201-I280 HydrophobicContact CE2-CG1 3.68Å; Y201-I280 HydrophobicContact CG-CD1 4.5Å |
| 202 | Q | 90.8 | Very high | 89.8 | Confident | 86 Ų | 86 | 61.5 Ų | 61.5 | 40% | 0.402 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.4 | -41.8 | 176.5 | -75.6 | 177.4 | 14.2 | 0 | 0 | 111.6 | F197 S198 D199 L204 N205 H206 | F197-Q202 HydrophobicContact CB-CB 4.43Å; F197-Q202 HydrophobicContact CD1-CB 4.33Å; S198-Q202 PolarHBondContact OG-NE2 3Å; S198-Q202 PolarHBondContact OG-OE1 3.48Å; D199-Q202 PolarHBondContact O-N 3.22Å; D199-Q202 VanDerWaalsContact OD1-CB 3.24Å; D199-Q202 WeakPolarHBondContact OD1-CB 3.5Å; D199-Q202 WeakPolarHBondContact OD1-CG 3.26Å; D199-Q202 PolarHBondContact OD1-N 2.99Å; Q202-L204 VanDerWaalsContact C-N 3.33Å; Q202-L204 PolarHBondContact O-N 3.24Å; Q202-N205 PolarHBondContact O-N 3.25Å; Q202-H206 WeakPolarHBondContact O-CB 3.3Å; Q202-H206 PolarHBondContact O-N 3.19Å |
| 203 | R | 92.2 | Very high | 89.7 | Confident | 101 Ų | 101 | 66 Ų | 66 | 38% | 0.381 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -57.7 | -47.4 | 174.7 | 178.5 | 176.1 | 165.5 | -154.3 | -1.4 | 111.1 | F197 D199 E200 Y201 H206 I207 | F197-R203 HydrophobicContact CB-CB 3.95Å; F197-R203 HydrophobicContact CD1-CB 4.36Å; F197-R203 HydrophobicContact CD2-CB 3.55Å; F197-R203 HydrophobicContact CD2-CG 3.65Å; F197-R203 HydrophobicContact CE2-CB 4.14Å; F197-R203 HydrophobicContact CE2-CG 3.88Å; F197-R203 HydrophobicContact CG-CB 3.68Å; F197-R203 HydrophobicContact CG-CG 4.3Å; D199-R203 PolarHBondContact O-N 3.28Å; E200-R203 PolarHBondContact O-N 3.49Å; E200-R203 WeakPolarHBondContact OE1-CD 3.37Å; E200-R203 IonicContact OE1-CZ 3.3Å; E200-R203 IonicContact OE1-NE 3.63Å; E200-R203 IonicContact OE1-NH1 2.64Å; E200-R203 PolarHBondContact OE1-NH1 2.74Å; E200-R203 IonicContact OE2-NH1 3.96Å; E200-R203 PolarHBondContact OE2-NH1 2.94Å; E200-R203 VanDerWaalsContact OE2-NH1 3.14Å; Y201-R203 VanDerWaalsContact C-N 3.34Å; R203-H206 PolarHBondContact O-N 3.24Å; R203-I207 HydrophobicContact CG-CD1 3.83Å; R203-I207 VanDerWaalsContact O-CG1 3.25Å; R203-I207 WeakPolarHBondContact O-CG1 3.36Å; R203-I207 PolarHBondContact O-N 2.88Å |
| 204 | L | 92.9 | Very high | 89.8 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.6 | -41.4 | -179.4 | -175.4 | 54.8 | 0 | 0 | 0 | 112.1 | E200 Y201 Q202 I207 V208 L265 C268 L269 I280 | E200-L204 WeakPolarHBondContact O-CB 3.11Å; E200-L204 PolarHBondContact O-N 3.24Å; Y201-L204 PolarHBondContact O-N 2.79Å; Q202-L204 VanDerWaalsContact C-N 3.33Å; Q202-L204 PolarHBondContact O-N 3.24Å; L204-I207 PolarHBondContact O-N 3.1Å; L204-V208 HydrophobicContact CD1-CG2 4.35Å; L204-V208 VanDerWaalsContact O-CG2 3.3Å; L204-V208 WeakPolarHBondContact O-CG2 3.47Å; L204-V208 PolarHBondContact O-N 3.4Å; L204-L265 HydrophobicContact CD1-CD1 3.81Å; L204-L265 HydrophobicContact CD2-CD1 3.88Å; L204-L265 HydrophobicContact CG-CD1 4.37Å; L204-C268 HydrophobicContact CB-CB 4.35Å; L204-C268 HydrophobicContact CD1-CB 3.97Å; L204-C268 HydrophobicContact CD2-CB 4.02Å; L204-C268 HydrophobicContact CG-CB 4.35Å; L204-L269 HydrophobicContact CD2-CD2 4.18Å; L204-I280 HydrophobicContact CD2-CD1 3.88Å; L204-I280 HydrophobicContact CD2-CG1 4.18Å; L204-I280 HydrophobicContact CD2-CG2 3.57Å; L204-I280 HydrophobicContact CG-CG2 4.25Å |
| 205 | N | 93 | Very high | 90.4 | Very high | 16 Ų | 16 | 56.6 Ų | 56.6 | 9% | 0.086 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.3 | -46.9 | 174.5 | -74.6 | -61.4 | 0 | 0 | 0 | 111.9 | Y201 Q202 I207 V208 E209 H283 | Y201-N205 WeakPolarHBondContact CD1-ND2 3.45Å; Y201-N205 WeakPolarHBondContact CE1-ND2 3.5Å; Y201-N205 VanDerWaalsContact CE2-ND2 3.34Å; Y201-N205 WeakPolarHBondContact CE2-ND2 3.32Å; Y201-N205 PolarHBondContact O-N 3.36Å; Y201-N205 PolarHBondContact O-ND2 3.48Å; Q202-N205 PolarHBondContact O-N 3.25Å; N205-I207 VanDerWaalsContact C-N 3.28Å; N205-I207 PolarHBondContact O-N 3.43Å; N205-V208 PolarHBondContact O-N 2.89Å; N205-E209 WeakPolarHBondContact O-CB 3.15Å; N205-E209 WeakPolarHBondContact O-CG 3.45Å; N205-E209 PolarHBondContact O-N 2.94Å; N205-H283 PolarHBondContact OD1-CE1 3.42Å; N205-H283 PolarHBondContact OD1-ND1 3.43Å |
| 206 | H | 94.1 | Very high | 91.3 | Very high | 27 Ų | 27 | 48.4 Ų | 48.4 | 13% | 0.125 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -57.6 | -42.9 | 175.3 | 173.2 | 75.5 | 0 | 0 | 0 | 111.7 | Q191 F197 Q202 R203 E209 V210 | Q191-H206 PolarHBondContact O-NE2 3.26Å; F197-H206 HydrophobicContact CD1-CB 4.46Å; F197-H206 HydrophobicContact CE1-CB 3.49Å; F197-H206 VanDerWaalsContact CE1-CB 3.49Å; F197-H206 AromaticContact CE1-CD2 3.98Å; F197-H206 AromaticContact CE1-CG 3.61Å; F197-H206 HydrophobicContact CZ-CB 3.75Å; F197-H206 AromaticContact CZ-CD2 3.36Å; F197-H206 WeakPolarHBondContact CZ-CD2 3.25Å; F197-H206 AromaticContact CZ-CG 3.5Å; Q202-H206 WeakPolarHBondContact O-CB 3.3Å; Q202-H206 PolarHBondContact O-N 3.19Å; R203-H206 PolarHBondContact O-N 3.24Å; H206-E209 PolarHBondContact O-N 3.35Å; H206-V210 WeakPolarHBondContact CE1-CG2 3.34Å; H206-V210 WeakPolarHBondContact NE2-CG2 3.24Å; H206-V210 WeakPolarHBondContact O-CB 3.47Å; H206-V210 VanDerWaalsContact O-CG2 3.3Å; H206-V210 WeakPolarHBondContact O-CG2 3.48Å; H206-V210 PolarHBondContact O-N 3.33Å |
| 207 | I | 95.3 | Very high | 92 | Very high | 12 Ų | 12 | 45.3 Ų | 45.3 | 6% | 0.062 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.1 | -49.2 | 176.7 | -69.8 | 164.1 | 0 | 0 | 0 | 110.5 | L192 R203 L204 N205 E209 V210 Y211 F261 T264 | L192-I207 HydrophobicContact CD2-CB 4.44Å; L192-I207 HydrophobicContact CD2-CG1 4.27Å; L192-I207 HydrophobicContact CD2-CG2 4.18Å; R203-I207 HydrophobicContact CG-CD1 3.83Å; R203-I207 VanDerWaalsContact O-CG1 3.25Å; R203-I207 WeakPolarHBondContact O-CG1 3.36Å; R203-I207 PolarHBondContact O-N 2.88Å; L204-I207 PolarHBondContact O-N 3.1Å; N205-I207 VanDerWaalsContact C-N 3.28Å; N205-I207 PolarHBondContact O-N 3.43Å; I207-E209 VanDerWaalsContact C-N 3.33Å; I207-E209 PolarHBondContact O-N 3.42Å; I207-V210 PolarHBondContact O-N 3.04Å; I207-Y211 HydrophobicContact CG2-CD2 3.72Å; I207-Y211 HydrophobicContact CG2-CE2 3.87Å; I207-Y211 WeakPolarHBondContact O-CB 2.98Å; I207-Y211 WeakPolarHBondContact O-CD2 3.42Å; I207-Y211 PolarHBondContact O-N 2.91Å; I207-F261 HydrophobicContact CG2-CD2 4.16Å; I207-F261 HydrophobicContact CG2-CE2 4.13Å; I207-T264 HydrophobicContact CD1-CG2 3.86Å |
| 208 | V | 95.1 | Very high | 92.4 | Very high | 3 Ų | 3 | 42.4 Ų | 42.4 | 2% | 0.018 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.9 | -44 | 179.5 | 176.4 | 0 | 0 | 0 | 0 | 111.2 | L204 N205 Y211 Q212 F261 H283 F287 | L204-V208 HydrophobicContact CD1-CG2 4.35Å; L204-V208 VanDerWaalsContact O-CG2 3.3Å; L204-V208 WeakPolarHBondContact O-CG2 3.47Å; L204-V208 PolarHBondContact O-N 3.4Å; N205-V208 PolarHBondContact O-N 2.89Å; V208-Y211 PolarHBondContact O-N 3.44Å; V208-Q212 VanDerWaalsContact O-CB 3.27Å; V208-Q212 WeakPolarHBondContact O-CB 3.46Å; V208-Q212 PolarHBondContact O-N 3.34Å; V208-F261 HydrophobicContact CG2-CE2 4.02Å; V208-F261 HydrophobicContact CG2-CZ 3.98Å; V208-H283 HydrophobicContact CG1-CB 4.12Å; V208-F287 HydrophobicContact CG1-CB 3.95Å |
| 209 | E | 94 | Very high | 92.6 | Very high | 112 Ų | 112 | 38.2 Ų | 38.2 | 52% | 0.523 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -61.7 | -47.9 | 177.1 | -73.2 | 172.2 | -170.9 | 0 | 0 | 111.9 | N205 H206 I207 Y211 Q212 E213 | N205-E209 WeakPolarHBondContact O-CB 3.15Å; N205-E209 WeakPolarHBondContact O-CG 3.45Å; N205-E209 PolarHBondContact O-N 2.94Å; H206-E209 PolarHBondContact O-N 3.35Å; I207-E209 VanDerWaalsContact C-N 3.33Å; I207-E209 PolarHBondContact O-N 3.42Å; E209-Y211 PolarHBondContact O-N 2.77Å; E209-Q212 PolarHBondContact O-N 3.03Å; E209-E213 PolarHBondContact O-N 3.11Å |
| 210 | V | 95.4 | Very high | 92.8 | Very high | 12 Ų | 12 | 38.5 Ų | 38.5 | 7% | 0.073 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.2 | -46.3 | 177.2 | 168.3 | 0 | 0 | 0 | 0 | 111.1 | Q191 L192 H206 I207 Q212 A214 | Q191-V210 HydrophobicContact CB-CG1 3.54Å; Q191-V210 HydrophobicContact CB-CG2 4.05Å; L192-V210 HydrophobicContact CD2-CB 3.92Å; L192-V210 HydrophobicContact CD2-CG1 3.58Å; L192-V210 HydrophobicContact CG-CG1 3.9Å; H206-V210 WeakPolarHBondContact CE1-CG2 3.34Å; H206-V210 WeakPolarHBondContact NE2-CG2 3.24Å; H206-V210 WeakPolarHBondContact O-CB 3.47Å; H206-V210 VanDerWaalsContact O-CG2 3.3Å; H206-V210 WeakPolarHBondContact O-CG2 3.48Å; H206-V210 PolarHBondContact O-N 3.33Å; I207-V210 PolarHBondContact O-N 3.04Å; V210-Q212 VanDerWaalsContact C-N 3.3Å; V210-Q212 PolarHBondContact O-N 3.19Å; V210-A214 WeakPolarHBondContact O-CB 3.49Å; V210-A214 PolarHBondContact O-N 3.41Å |
| 211 | Y | 95.2 | Very high | 93 | Very high | 5 Ų | 5 | 36.7 Ų | 36.7 | 2% | 0.02 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.3 | -42.4 | 176.6 | -93.4 | -89.2 | 0 | 0 | 0 | 111.1 | L192 I207 V208 E209 M215 R257 F261 | L192-Y211 HydrophobicContact CD1-CD2 4.37Å; L192-Y211 HydrophobicContact CD1-CE2 3.56Å; L192-Y211 HydrophobicContact CD2-CD2 3.84Å; L192-Y211 HydrophobicContact CD2-CE2 3.71Å; L192-Y211 HydrophobicContact CG-CE2 4.29Å; I207-Y211 HydrophobicContact CG2-CD2 3.72Å; I207-Y211 HydrophobicContact CG2-CE2 3.87Å; I207-Y211 WeakPolarHBondContact O-CB 2.98Å; I207-Y211 WeakPolarHBondContact O-CD2 3.42Å; I207-Y211 PolarHBondContact O-N 2.91Å; V208-Y211 PolarHBondContact O-N 3.44Å; E209-Y211 PolarHBondContact O-N 2.77Å; Y211-M215 HydrophobicContact CD1-CG 3.85Å; Y211-M215 HydrophobicContact CD1-SD 4.32Å; Y211-M215 WeakPolarHBondContact O-CB 3.05Å; Y211-M215 WeakPolarHBondContact O-CG 3.22Å; Y211-M215 PolarHBondContact O-N 3.18Å; Y211-R257 HydrophobicContact CE1-CB 4.31Å; Y211-R257 WeakPolarHBondContact CE1-O 3.4Å; Y211-F261 HydrophobicContact CD1-CB 4.04Å; Y211-F261 HydrophobicContact CD1-CD2 4.08Å; Y211-F261 HydrophobicContact CD1-CG 4.27Å; Y211-F261 AromaticContact CD2-CD2 3.54Å; Y211-F261 HydrophobicContact CD2-CD2 3.54Å; Y211-F261 HydrophobicContact CD2-CE2 4.19Å; Y211-F261 HydrophobicContact CD2-CG 4.45Å; Y211-F261 HydrophobicContact CE1-CB 3.67Å; Y211-F261 HydrophobicContact CE1-CD2 4.33Å; Y211-F261 HydrophobicContact CE1-CG 4.36Å; Y211-F261 HydrophobicContact CE2-CB 4.25Å; Y211-F261 AromaticContact CE2-CD2 3.8Å; Y211-F261 HydrophobicContact CE2-CD2 3.8Å; Y211-F261 HydrophobicContact CG-CB 4.48Å; Y211-F261 AromaticContact CG-CD2 3.68Å; Y211-F261 HydrophobicContact CG-CD2 3.68Å; Y211-F261 HydrophobicContact CG-CE2 4.29Å; Y211-F261 HydrophobicContact CG-CG 4.32Å |
| 212 | Q | 93.5 | Very high | 93.2 | Very high | 42 Ų | 42 | 36.2 Ų | 36.2 | 20% | 0.196 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61 | -51.5 | 178.9 | 175.4 | 169.8 | 3.5 | 0 | 0 | 112.8 | V208 E209 V210 F216 F287 | V208-Q212 VanDerWaalsContact O-CB 3.27Å; V208-Q212 WeakPolarHBondContact O-CB 3.46Å; V208-Q212 PolarHBondContact O-N 3.34Å; E209-Q212 PolarHBondContact O-N 3.03Å; V210-Q212 VanDerWaalsContact C-N 3.3Å; V210-Q212 PolarHBondContact O-N 3.19Å; Q212-F216 VanDerWaalsContact O-CB 3.22Å; Q212-F216 WeakPolarHBondContact O-CB 3.4Å; Q212-F216 PolarHBondContact O-N 3.07Å; Q212-F287 HydrophobicContact CB-CB 4.43Å; Q212-F287 HydrophobicContact CB-CD2 3.85Å |
| 213 | E | 92.2 | Very high | 93.1 | Very high | 125 Ų | 125 | 37 Ų | 37 | 58% | 0.584 | 17% | 0.168 | S | C | * | . | H | α-helix | trans | -69.4 | -54.3 | -178.5 | -174.9 | -178.8 | 165.8 | 0 | 0 | 110.8 | E209 F216 D217 | E209-E213 PolarHBondContact O-N 3.11Å; E213-F216 PolarHBondContact O-N 3.34Å; E213-D217 WeakPolarHBondContact O-CB 3.18Å; E213-D217 PolarHBondContact O-N 3.44Å |
| 214 | A | 93.5 | Very high | 93 | Very high | 2 Ų | 2 | 34.6 Ų | 34.6 | 2% | 0.017 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -69.2 | -41.1 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | W187 L188 V210 D217 V218 | W187-A214 HydrophobicContact CE3-CB 4.36Å; W187-A214 HydrophobicContact CH2-CB 3.81Å; W187-A214 HydrophobicContact CZ3-CB 3.57Å; L188-A214 HydrophobicContact CB-CB 4.27Å; L188-A214 HydrophobicContact CD1-CB 3.68Å; L188-A214 HydrophobicContact CG-CB 4.06Å; V210-A214 WeakPolarHBondContact O-CB 3.49Å; V210-A214 PolarHBondContact O-N 3.41Å; A214-D217 PolarHBondContact O-N 2.98Å; A214-V218 WeakPolarHBondContact O-CB 3.35Å; A214-V218 WeakPolarHBondContact O-CG2 3.29Å; A214-V218 PolarHBondContact O-N 3.38Å |
| 215 | M | 92.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.6 | -42.2 | 177.9 | -64.9 | -68.7 | -67.9 | 0 | 0 | 111.3 | L188 Y211 M219 W253 L254 R257 M291 | L188-M215 HydrophobicContact CD1-CG 4.12Å; L188-M215 HydrophobicContact CD1-SD 3.69Å; Y211-M215 HydrophobicContact CD1-CG 3.85Å; Y211-M215 HydrophobicContact CD1-SD 4.32Å; Y211-M215 WeakPolarHBondContact O-CB 3.05Å; Y211-M215 WeakPolarHBondContact O-CG 3.22Å; Y211-M215 PolarHBondContact O-N 3.18Å; M215-M219 VanDerWaalsContact O-CB 3.32Å; M215-M219 WeakPolarHBondContact O-CB 3.39Å; M215-M219 WeakPolarHBondContact O-CG 3.02Å; M215-M219 PolarHBondContact O-N 2.93Å; M215-W253 HydrophobicContact CE-CE3 4.35Å; M215-W253 HydrophobicContact CE-CH2 3.78Å; M215-W253 HydrophobicContact CE-CZ3 3.6Å; M215-W253 HydrophobicContact SD-CH2 3.31Å; M215-W253 WeakPolarHBondContact SD-CH2 3.16Å; M215-W253 HydrophobicContact SD-CZ2 3.98Å; M215-W253 HydrophobicContact SD-CZ3 3.81Å; M215-L254 HydrophobicContact CE-CD1 3.22Å; M215-R257 HydrophobicContact CE-CB 3.66Å; M215-R257 HydrophobicContact CE-CG 4.43Å; M215-R257 HydrophobicContact SD-CB 3.73Å; M215-R257 HydrophobicContact SD-CG 4.08Å; M215-M291 HydrophobicContact CB-CE 3.95Å; M215-M291 HydrophobicContact CB-SD 3.61Å; M215-M291 HydrophobicContact CE-CE 4.18Å |
| 216 | F | 91.3 | Very high | 92.8 | Very high | 65 Ų | 65 | 34.7 Ų | 34.7 | 29% | 0.285 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -60.5 | -48.2 | 177.3 | -177 | -91.6 | 0 | 0 | 0 | 111.1 | Q212 E213 M219 L220 R293 V294 | Q212-F216 VanDerWaalsContact O-CB 3.22Å; Q212-F216 WeakPolarHBondContact O-CB 3.4Å; Q212-F216 PolarHBondContact O-N 3.07Å; E213-F216 PolarHBondContact O-N 3.34Å; F216-M219 PolarHBondContact O-N 3.45Å; F216-L220 HydrophobicContact CE1-CD2 4.14Å; F216-L220 WeakPolarHBondContact O-CB 3.31Å; F216-L220 PolarHBondContact O-N 3.46Å; F216-R293 HydrophobicContact CE2-CB 4.34Å; F216-V294 HydrophobicContact CD2-CG1 3.64Å; F216-V294 HydrophobicContact CE2-CG1 3.82Å; F216-V294 HydrophobicContact CG-CG1 4.46Å |
| 217 | D | 92.6 | Very high | 91.7 | Very high | 46 Ų | 46 | 37.1 Ų | 37.1 | 25% | 0.246 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.2 | -48.5 | -179.9 | -88.4 | 6.4 | 0 | 0 | 0 | 112.6 | E213 A214 M219 L220 Q221 | E213-D217 WeakPolarHBondContact O-CB 3.18Å; E213-D217 PolarHBondContact O-N 3.44Å; A214-D217 PolarHBondContact O-N 2.98Å; D217-M219 VanDerWaalsContact C-N 3.3Å; D217-M219 PolarHBondContact O-N 2.98Å; D217-L220 PolarHBondContact O-N 3.5Å; D217-Q221 VanDerWaalsContact O-CB 3.3Å; D217-Q221 WeakPolarHBondContact O-CB 3.04Å; D217-Q221 WeakPolarHBondContact O-CG 3.04Å; D217-Q221 PolarHBondContact O-N 2.88Å; D217-Q221 PolarHBondContact O-OE1 3.43Å |
| 218 | V | 94.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.4 | -42.3 | 179.5 | 173.2 | 0 | 0 | 0 | 0 | 110.5 | F180 L181 R184 W187 A214 Y222 W253 | F180-V218 HydrophobicContact CE1-CG1 4.43Å; L181-V218 HydrophobicContact CD2-CG1 4.22Å; R184-V218 HydrophobicContact CB-CB 4.47Å; R184-V218 HydrophobicContact CB-CG1 3.89Å; R184-V218 HydrophobicContact CB-CG2 3.69Å; R184-V218 HydrophobicContact CG-CG1 4.19Å; R184-V218 HydrophobicContact CG-CG2 3.97Å; W187-V218 HydrophobicContact CE3-CG2 4.31Å; W187-V218 HydrophobicContact CZ3-CG2 4.12Å; A214-V218 WeakPolarHBondContact O-CB 3.35Å; A214-V218 WeakPolarHBondContact O-CG2 3.29Å; A214-V218 PolarHBondContact O-N 3.38Å; V218-Y222 WeakPolarHBondContact O-CB 3.39Å; V218-Y222 PolarHBondContact O-N 3Å; V218-W253 HydrophobicContact CB-CH2 3.77Å; V218-W253 HydrophobicContact CB-CZ2 4.44Å; V218-W253 HydrophobicContact CB-CZ3 4.3Å; V218-W253 HydrophobicContact CG1-CE3 4.47Å; V218-W253 HydrophobicContact CG1-CH2 3.49Å; V218-W253 VanDerWaalsContact CG1-CH2 3.49Å; V218-W253 HydrophobicContact CG1-CZ2 3.93Å; V218-W253 HydrophobicContact CG1-CZ3 3.81Å; V218-W253 HydrophobicContact CG2-CH2 4.31Å |
| 219 | M | 91.7 | Very high | 87.7 | Confident | 7 Ų | 7 | 50.5 Ų | 50.5 | 3% | 0.034 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.2 | -42.2 | 177.6 | -72.1 | -60.1 | -62.1 | 0 | 0 | 112.6 | M215 F216 D217 R223 V250 W253 L254 V294 | M215-M219 VanDerWaalsContact O-CB 3.32Å; M215-M219 WeakPolarHBondContact O-CB 3.39Å; M215-M219 WeakPolarHBondContact O-CG 3.02Å; M215-M219 PolarHBondContact O-N 2.93Å; F216-M219 PolarHBondContact O-N 3.45Å; D217-M219 VanDerWaalsContact C-N 3.3Å; D217-M219 PolarHBondContact O-N 2.98Å; M219-R223 WeakPolarHBondContact O-CB 3.36Å; M219-R223 WeakPolarHBondContact O-CG 3.48Å; M219-R223 PolarHBondContact O-N 2.95Å; M219-V250 HydrophobicContact CE-CG2 3.78Å; M219-V250 HydrophobicContact SD-CG2 3.48Å; M219-V250 WeakPolarHBondContact SD-CG2 3.45Å; M219-W253 HydrophobicContact CG-CZ3 4.45Å; M219-W253 HydrophobicContact SD-CE3 4.44Å; M219-W253 HydrophobicContact SD-CZ3 4.16Å; M219-L254 HydrophobicContact CE-CD2 4.32Å; M219-L254 HydrophobicContact SD-CD2 4.47Å; M219-V294 HydrophobicContact CB-CB 4Å; M219-V294 HydrophobicContact CB-CG1 3.95Å; M219-V294 HydrophobicContact CB-CG2 4.26Å; M219-V294 HydrophobicContact CG-CB 4.43Å; M219-V294 HydrophobicContact CG-CG2 4.21Å |
| 220 | L | 90.3 | Very high | 85.3 | Confident | 78 Ų | 78 | 48.9 Ų | 48.9 | 41% | 0.408 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64 | -45.2 | 177.9 | -178.8 | 62.5 | 0 | 0 | 0 | 111.2 | F216 D217 R223 A224 | F216-L220 HydrophobicContact CE1-CD2 4.14Å; F216-L220 WeakPolarHBondContact O-CB 3.31Å; F216-L220 PolarHBondContact O-N 3.46Å; D217-L220 PolarHBondContact O-N 3.5Å; L220-R223 PolarHBondContact O-N 3.1Å; L220-A224 WeakPolarHBondContact O-CB 3.4Å; L220-A224 PolarHBondContact O-N 3.28Å |
| 221 | Q | 93.3 | Very high | 82.7 | Confident | 5 Ų | 5 | 52.4 Ų | 52.4 | 2% | 0.023 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.3 | -44.4 | 178.7 | -69.4 | 154.6 | 11.8 | 0 | 0 | 111.9 | L153 L155 C158 F180 D217 R223 A224 V225 | L153-Q221 PolarHBondContact O-NE2 3.28Å; L155-Q221 HydrophobicContact CD1-CB 4.23Å; L155-Q221 HydrophobicContact CD1-CG 3.77Å; C158-Q221 HydrophobicContact CB-CG 4.36Å; F180-Q221 HydrophobicContact CZ-CB 3.94Å; D217-Q221 VanDerWaalsContact O-CB 3.3Å; D217-Q221 WeakPolarHBondContact O-CB 3.04Å; D217-Q221 WeakPolarHBondContact O-CG 3.04Å; D217-Q221 PolarHBondContact O-N 2.88Å; D217-Q221 PolarHBondContact O-OE1 3.43Å; Q221-R223 VanDerWaalsContact C-N 3.3Å; Q221-R223 PolarHBondContact O-N 3.26Å; Q221-A224 PolarHBondContact O-N 3.35Å; Q221-V225 WeakPolarHBondContact O-CB 3.5Å; Q221-V225 WeakPolarHBondContact O-CG2 3.48Å; Q221-V225 PolarHBondContact O-N 3.38Å |
| 222 | Y | 93.1 | Very high | 80 | Confident | 16 Ų | 16 | 59.3 Ų | 59.3 | 6% | 0.063 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -56.7 | -47.9 | 176.3 | -175.8 | -86.1 | 0 | 0 | 0 | 110.4 | Q177 F180 L181 V218 V225 F226 V249 V250 | Q177-Y222 HydrophobicContact CB-CE2 4.18Å; Q177-Y222 HydrophobicContact CG-CE2 4.24Å; Q177-Y222 PolarHBondContact OE1-OH 2.83Å; F180-Y222 AromaticContact CD1-CD2 3.76Å; F180-Y222 HydrophobicContact CD1-CD2 3.76Å; F180-Y222 AromaticContact CE1-CD2 3.91Å; F180-Y222 HydrophobicContact CE1-CD2 3.91Å; F180-Y222 HydrophobicContact CE1-CG 4.4Å; L181-Y222 HydrophobicContact CD1-CD2 4.37Å; L181-Y222 HydrophobicContact CD1-CE2 3.94Å; L181-Y222 HydrophobicContact CD2-CD2 3.78Å; L181-Y222 HydrophobicContact CD2-CE2 4.2Å; L181-Y222 HydrophobicContact CG-CD2 4Å; L181-Y222 HydrophobicContact CG-CE2 3.98Å; V218-Y222 WeakPolarHBondContact O-CB 3.39Å; V218-Y222 PolarHBondContact O-N 3Å; Y222-V225 PolarHBondContact O-N 2.77Å; Y222-F226 HydrophobicContact CD1-CD2 4.23Å; Y222-F226 AromaticContact CD2-CD2 3.54Å; Y222-F226 HydrophobicContact CD2-CD2 3.54Å; Y222-F226 AromaticContact CD2-CE2 3.77Å; Y222-F226 HydrophobicContact CD2-CE2 3.77Å; Y222-F226 HydrophobicContact CE1-CB 4.34Å; Y222-F226 HydrophobicContact CE1-CD2 4.24Å; Y222-F226 AromaticContact CE2-CD2 3.56Å; Y222-F226 HydrophobicContact CE2-CD2 3.56Å; Y222-F226 AromaticContact CE2-CE2 3.84Å; Y222-F226 HydrophobicContact CE2-CE2 3.84Å; Y222-F226 HydrophobicContact CE2-CG 4.42Å; Y222-F226 AromaticContact CG-CD2 3.88Å; Y222-F226 HydrophobicContact CG-CD2 3.88Å; Y222-F226 HydrophobicContact CG-CE2 4.47Å; Y222-F226 AromaticContact CZ-CD2 3.92Å; Y222-F226 WeakPolarHBondContact O-CB 3.36Å; Y222-F226 VanDerWaalsContact O-CD2 3.27Å; Y222-F226 WeakPolarHBondContact O-CD2 3.48Å; Y222-F226 PolarHBondContact O-N 2.65Å; Y222-V249 WeakPolarHBondContact OH-CG1 3.33Å; Y222-V250 HydrophobicContact CD1-CB 3.92Å; Y222-V250 HydrophobicContact CD1-CG1 4.2Å; Y222-V250 HydrophobicContact CD1-CG2 3.77Å; Y222-V250 HydrophobicContact CD2-CB 4.49Å; Y222-V250 HydrophobicContact CD2-CG2 4.42Å; Y222-V250 HydrophobicContact CE1-CB 3.56Å; Y222-V250 HydrophobicContact CE1-CG1 3.66Å; Y222-V250 HydrophobicContact CE1-CG2 3.97Å; Y222-V250 HydrophobicContact CE2-CB 4.19Å; Y222-V250 HydrophobicContact CG-CB 4.38Å; Y222-V250 HydrophobicContact CG-CG2 4.02Å |
| 223 | R | 89.1 | Confident | 77.6 | Confident | 103 Ų | 103 | 61.5 Ų | 61.5 | 39% | 0.389 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.5 | -50 | 175.7 | -75.5 | -172.6 | 171.6 | 116 | -0 | 111.8 | M219 L220 Q221 V225 F226 S227 V294 | M219-R223 WeakPolarHBondContact O-CB 3.36Å; M219-R223 WeakPolarHBondContact O-CG 3.48Å; M219-R223 PolarHBondContact O-N 2.95Å; L220-R223 PolarHBondContact O-N 3.1Å; Q221-R223 VanDerWaalsContact C-N 3.3Å; Q221-R223 PolarHBondContact O-N 3.26Å; R223-V225 PolarHBondContact O-N 3.25Å; R223-F226 PolarHBondContact O-N 3.4Å; R223-S227 WeakPolarHBondContact O-CA 3.44Å; R223-S227 WeakPolarHBondContact O-CB 3.46Å; R223-S227 PolarHBondContact O-N 2.9Å; R223-V294 VanDerWaalsContact NH1-CA 3.31Å; R223-V294 PolarHBondContact NH1-O 2.96Å; R223-V294 PolarHBondContact NH2-O 2.97Å |
| 224 | A | 90 | Very high | 74.9 | Confident | 50 Ų | 50 | 61 Ų | 61 | 41% | 0.413 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -59.9 | -33.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L155 L159 L220 Q221 | L155-A224 HydrophobicContact CD1-CB 3.63Å; L155-A224 HydrophobicContact CD2-CB 4.4Å; L155-A224 HydrophobicContact CG-CB 4.4Å; L159-A224 HydrophobicContact CD2-CB 4.41Å; L220-A224 WeakPolarHBondContact O-CB 3.4Å; L220-A224 PolarHBondContact O-N 3.28Å; Q221-A224 PolarHBondContact O-N 3.35Å |
| 225 | V | 91.9 | Very high | 72.2 | Confident | 9 Ų | 9 | 65.7 Ų | 65.7 | 6% | 0.055 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -81 | -34.5 | -177.4 | 172.2 | 0 | 0 | 0 | 0 | 112.6 | L159 V162 R166 Q221 Y222 R223 | L159-V225 HydrophobicContact CD2-CG2 3.84Å; V162-V225 HydrophobicContact CB-CG1 3.8Å; V162-V225 HydrophobicContact CG1-CG1 3.44Å; V162-V225 VanDerWaalsContact CG1-CG1 3.44Å; V162-V225 HydrophobicContact CG2-CG1 3.87Å; V162-V225 HydrophobicContact CG2-CG2 4.23Å; R166-V225 PolarHBondContact NH2-O 2.69Å; Q221-V225 WeakPolarHBondContact O-CB 3.5Å; Q221-V225 WeakPolarHBondContact O-CG2 3.48Å; Q221-V225 PolarHBondContact O-N 3.38Å; Y222-V225 PolarHBondContact O-N 2.77Å; R223-V225 PolarHBondContact O-N 3.25Å |
| 226 | F | 89.7 | Confident | 69.7 | Low | 10 Ų | 10 | 69.6 Ų | 69.6 | 4% | 0.044 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -121.2 | -2.9 | -167.8 | -58.8 | -67.3 | 0 | 0 | 0 | 115 | V162 E173 L176 Q177 F180 Y222 R223 E228 | V162-F226 HydrophobicContact CG1-CZ 4.46Å; E173-F226 WeakPolarHBondContact OE1-CD1 3.5Å; E173-F226 VanDerWaalsContact OE1-CE1 3.31Å; E173-F226 WeakPolarHBondContact OE1-CE1 3.35Å; L176-F226 HydrophobicContact CD2-CE1 4.43Å; L176-F226 HydrophobicContact CG-CE1 4.29Å; L176-F226 HydrophobicContact CG-CZ 4.37Å; Q177-F226 HydrophobicContact CB-CE1 4.35Å; Q177-F226 HydrophobicContact CB-CE2 4.49Å; Q177-F226 HydrophobicContact CB-CZ 4.24Å; Q177-F226 HydrophobicContact CG-CD1 3.41Å; Q177-F226 VanDerWaalsContact CG-CD1 3.41Å; Q177-F226 HydrophobicContact CG-CD2 3.99Å; Q177-F226 HydrophobicContact CG-CE1 3.36Å; Q177-F226 HydrophobicContact CG-CE2 3.96Å; Q177-F226 HydrophobicContact CG-CG 3.74Å; Q177-F226 HydrophobicContact CG-CZ 3.66Å; F180-F226 HydrophobicContact CB-CE2 4.03Å; F180-F226 HydrophobicContact CB-CZ 4.04Å; F180-F226 AromaticContact CD1-CE2 3.93Å; F180-F226 HydrophobicContact CD1-CE2 3.93Å; F180-F226 HydrophobicContact CD2-CE2 4.48Å; F180-F226 AromaticContact CG-CE2 3.86Å; F180-F226 HydrophobicContact CG-CE2 3.86Å; F180-F226 HydrophobicContact CG-CZ 4.29Å; Y222-F226 HydrophobicContact CD1-CD2 4.23Å; Y222-F226 AromaticContact CD2-CD2 3.54Å; Y222-F226 HydrophobicContact CD2-CD2 3.54Å; Y222-F226 AromaticContact CD2-CE2 3.77Å; Y222-F226 HydrophobicContact CD2-CE2 3.77Å; Y222-F226 HydrophobicContact CE1-CB 4.34Å; Y222-F226 HydrophobicContact CE1-CD2 4.24Å; Y222-F226 AromaticContact CE2-CD2 3.56Å; Y222-F226 HydrophobicContact CE2-CD2 3.56Å; Y222-F226 AromaticContact CE2-CE2 3.84Å; Y222-F226 HydrophobicContact CE2-CE2 3.84Å; Y222-F226 HydrophobicContact CE2-CG 4.42Å; Y222-F226 AromaticContact CG-CD2 3.88Å; Y222-F226 HydrophobicContact CG-CD2 3.88Å; Y222-F226 HydrophobicContact CG-CE2 4.47Å; Y222-F226 AromaticContact CZ-CD2 3.92Å; Y222-F226 WeakPolarHBondContact O-CB 3.36Å; Y222-F226 VanDerWaalsContact O-CD2 3.27Å; Y222-F226 WeakPolarHBondContact O-CD2 3.48Å; Y222-F226 PolarHBondContact O-N 2.65Å; R223-F226 PolarHBondContact O-N 3.4Å; F226-E228 PolarHBondContact O-N 2.88Å |
| 227 | S | 72 | Confident | 67.2 | Low | 78 Ų | 78 | 71.2 Ų | 71.2 | 55% | 0.545 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -16.9 | -170.8 | -172 | 0 | 0 | 0 | 0 | 115.4 | R223 | R223-S227 WeakPolarHBondContact O-CA 3.44Å; R223-S227 WeakPolarHBondContact O-CB 3.46Å; R223-S227 PolarHBondContact O-N 2.9Å |
| 228 | E | 54.4 | Low | 64.6 | Low | 167 Ų | 167 | 78.7 Ų | 78.7 | 78% | 0.78 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -29.7 | -176.9 | -67.1 | -155.6 | 160 | 0 | 0 | 114.2 | F226 S230 | F226-E228 PolarHBondContact O-N 2.88Å; E228-S230 PolarHBondContact O-N 3.03Å |
| 229 | E | 51.4 | Low | 61.9 | Low | 129 Ų | 129 | 88.8 Ų | 88.8 | 60% | 0.603 | 51% | 0.505 | S | S | * | . | G | 310 helix | trans | -80.7 | -23.3 | -166.5 | -134.6 | 69.7 | -149.6 | 0 | 0 | 114.2 | S231 H232 | E229-S231 VanDerWaalsContact C-N 3.26Å; E229-S231 PolarHBondContact O-N 2.88Å; E229-H232 PolarHBondContact O-N 3.28Å |
| 230 | S | 44.1 | Very low | 59.3 | Low | 77 Ų | 77 | 96.9 Ų | 96.9 | 54% | 0.538 | 55% | 0.548 | S | S | . | . | G | 310 helix | trans | -73.1 | -13.8 | -173.3 | 63.4 | 0 | 0 | 0 | 0 | 114.7 | E228 | E228-S230 PolarHBondContact O-N 3.03Š|
| 231 | S | 39.9 | Very low | 57 | Low | 87 Ų | 87 | 96.8 Ų | 96.8 | 61% | 0.608 | 56% | 0.559 | S | S | * | * | G | 310 helix | trans | -89.2 | -9.3 | 179.5 | -63.3 | 0 | 0 | 0 | 0 | 114.1 | E229 | E229-S231 VanDerWaalsContact C-N 3.26Å; E229-S231 PolarHBondContact O-N 2.88Å |
| 232 | H | 40 | Very low | 54.4 | Low | 150 Ų | 150 | 104.6 Ų | 104.6 | 69% | 0.694 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -110.6 | 5.5 | -171.8 | -69.1 | -50.8 | 0 | 0 | 0 | 115.8 | E229 S234 | E229-H232 PolarHBondContact O-N 3.28Å; H232-S234 VanDerWaalsContact C-N 3.33Å; H232-S234 PolarHBondContact O-N 3.34Å |
| 233 | S | 41.2 | Very low | 51.6 | Low | 87 Ų | 87 | 111.4 Ų | 111.4 | 61% | 0.608 | 63% | 0.632 | S | S | * | * | trans | -90.5 | 18.7 | 176.5 | 57.4 | 0 | 0 | 0 | 0 | 114.9 | S235 | S233-S235 VanDerWaalsContact C-N 3.29Å; S233-S235 PolarHBondContact O-N 3Å | ||
| 234 | S | 35.6 | Very low | 49.3 | Very low | 115 Ų | 115 | 114 Ų | 114 | 80% | 0.804 | 65% | 0.646 | S | S | * | * | trans | -90.9 | 53 | 167.2 | 54.5 | 0 | 0 | 0 | 0 | 112 | H232 | H232-S234 VanDerWaalsContact C-N 3.33Å; H232-S234 PolarHBondContact O-N 3.34Å | ||
| 235 | S | 37.9 | Very low | 47.1 | Very low | 100 Ų | 100 | 118.8 Ų | 118.8 | 70% | 0.699 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -142.1 | 93.4 | 164.8 | 63.6 | 0 | 0 | 0 | 0 | 111.3 | S233 | S233-S235 VanDerWaalsContact C-N 3.29Å; S233-S235 PolarHBondContact O-N 3Å |
| 236 | G | 39.2 | Very low | 45.2 | Very low | 83 Ų | 83 | 120 Ų | 120 | 86% | 0.856 | 67% | 0.668 | S | S | * | * | trans | 50.7 | 86.1 | 145.3 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 237 | S | 40.3 | Very low | 43.9 | Very low | 98 Ų | 98 | 123.3 Ų | 123.3 | 69% | 0.685 | 69% | 0.691 | S | S | * | * | trans | -164.6 | 100.5 | 145.5 | 164.5 | 0 | 0 | 0 | 0 | 109.2 | R239 | S237-R239 PolarHBondContact O-N 2.9Š| ||
| 238 | Q | 37.6 | Very low | 44.1 | Very low | 203 Ų | 203 | 122.2 Ų | 122.2 | 95% | 0.949 | 68% | 0.683 | S | S | * | * | trans | -57 | 99.6 | 161.9 | -75.5 | 172.1 | -12.2 | 0 | 0 | 109.1 | ||||
| 239 | R | 37.7 | Very low | 45.8 | Very low | 212 Ų | 212 | 115.6 Ų | 115.6 | 80% | 0.8 | 65% | 0.654 | S | S | * | * | trans | -140.9 | 124.9 | 155.6 | -76 | -166.2 | 176.4 | 178.6 | -0.6 | 107.9 | S237 A241 | S237-R239 PolarHBondContact O-N 2.9Å; R239-A241 PolarHBondContact O-N 2.63Å | ||
| 240 | D | 37.6 | Very low | 47.6 | Very low | 178 Ų | 178 | 110.4 Ų | 110.4 | 95% | 0.952 | 63% | 0.631 | S | S | * | * | trans | -63.1 | 44.6 | -179.1 | -62.2 | -51.9 | 0 | 0 | 0 | 114.4 | ||||
| 241 | A | 40.5 | Very low | 49.8 | Very low | 75 Ų | 75 | 109.2 Ų | 109.2 | 62% | 0.62 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -87.6 | 107.9 | 163.2 | 0 | 0 | 0 | 0 | 0 | 106.5 | R239 Q243 | R239-A241 PolarHBondContact O-N 2.63Å; A241-Q243 VanDerWaalsContact C-N 3.32Å; A241-Q243 WeakPolarHBondContact O-CA 3.49Å; A241-Q243 PolarHBondContact O-N 3.01Å |
| 242 | L | 39 | Very low | 52.2 | Low | 170 Ų | 170 | 108.3 Ų | 108.3 | 89% | 0.89 | 62% | 0.62 | S | S | * | * | trans | -31.4 | 92.6 | 171.1 | -72.1 | 160.2 | 0 | 0 | 0 | 110.9 | F244 | L242-F244 PolarHBondContact O-N 2.98Š| ||
| 243 | Q | 35.4 | Very low | 54.8 | Low | 159 Ų | 159 | 102.1 Ų | 102.1 | 74% | 0.743 | 59% | 0.59 | S | S | * | * | trans | -80.9 | 84 | -172.2 | -148.7 | 160.6 | 29.5 | 0 | 0 | 106 | A241 H245 | A241-Q243 VanDerWaalsContact C-N 3.32Å; A241-Q243 WeakPolarHBondContact O-CA 3.49Å; A241-Q243 PolarHBondContact O-N 3.01Å; Q243-H245 PolarHBondContact O-N 2.91Å | ||
| 244 | F | 40.5 | Very low | 57.2 | Low | 157 Ų | 157 | 98.4 Ų | 98.4 | 69% | 0.689 | 56% | 0.564 | S | S | * | * | trans | -55.5 | 103.5 | 175.9 | -128.5 | -91.6 | 0 | 0 | 0 | 107 | L242 C246 | L242-F244 PolarHBondContact O-N 2.98Å; F244-C246 PolarHBondContact O-N 3.47Å | ||
| 245 | H | 42.5 | Very low | 59.9 | Low | 151 Ų | 151 | 98.8 Ų | 98.8 | 70% | 0.699 | 55% | 0.553 | S | S | * | * | trans | -61.4 | 101.5 | 179 | -103.3 | -90.6 | 0 | 0 | 0 | 108.1 | Q243 P247 S248 | Q243-H245 PolarHBondContact O-N 2.91Å; H245-P247 VanDerWaalsContact C-N 3.33Å; H245-P247 WeakPolarHBondContact O-CD 3.25Å; H245-P247 VanDerWaalsContact O-N 3.16Å; H245-S248 WeakPolarHBondContact O-CB 3.5Å; H245-S248 PolarHBondContact O-N 3.34Å | ||
| 246 | C | 52 | Low | 62.7 | Low | 33 Ų | 33 | 99.4 Ų | 99.4 | 22% | 0.223 | 54% | 0.54 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -28 | -172.8 | -81.7 | 0 | 0 | 0 | 0 | 117.1 | Q177 F244 S248 V249 | Q177-C246 VanDerWaalsContact CD-SG 3.57Å; Q177-C246 PolarHBondContact OE1-SG 2.74Å; F244-C246 PolarHBondContact O-N 3.47Å; C246-S248 PolarHBondContact O-N 2.97Å; C246-V249 WeakPolarHBondContact O-CG1 3.2Å; C246-V249 PolarHBondContact O-N 3.35Å |
| 247 | P | 62.4 | Low | 65.3 | Low | 80 Ų | 80 | 95.6 Ų | 95.6 | 52% | 0.519 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -54.5 | -25.6 | 169.6 | -25.4 | 34.5 | 0 | 0 | 0 | 112.8 | H245 V250 A251 | H245-P247 VanDerWaalsContact C-N 3.33Å; H245-P247 WeakPolarHBondContact O-CD 3.25Å; H245-P247 VanDerWaalsContact O-N 3.16Å; P247-V250 WeakPolarHBondContact O-CG1 3.44Å; P247-A251 WeakPolarHBondContact O-CB 3.46Å; P247-A251 PolarHBondContact O-N 3.28Å |
| 248 | S | 78 | Confident | 67.9 | Low | 56 Ų | 56 | 91.6 Ų | 91.6 | 39% | 0.392 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.2 | -35.6 | 177 | -170.3 | 0 | 0 | 0 | 0 | 113.2 | H245 C246 A251 S252 | H245-S248 WeakPolarHBondContact O-CB 3.5Å; H245-S248 PolarHBondContact O-N 3.34Å; C246-S248 PolarHBondContact O-N 2.97Å; S248-A251 PolarHBondContact O-N 2.88Å; S248-S252 VanDerWaalsContact O-CB 3.29Å; S248-S252 WeakPolarHBondContact O-CB 3.1Å; S248-S252 PolarHBondContact O-N 3.38Å; S248-S252 PolarHBondContact O-OG 2.65Å |
| 249 | V | 88.7 | Confident | 70.7 | Confident | 28 Ų | 28 | 86.2 Ų | 86.2 | 17% | 0.17 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -72.4 | -42.6 | -171.2 | 75.6 | 0 | 0 | 0 | 0 | 111.7 | Q177 F178 L181 Y222 C246 S252 W253 | Q177-V249 HydrophobicContact CB-CG1 4.33Å; F178-V249 HydrophobicContact CD2-CG2 4.1Å; L181-V249 HydrophobicContact CD1-CB 4.44Å; L181-V249 HydrophobicContact CD1-CG1 3.91Å; L181-V249 HydrophobicContact CD1-CG2 3.99Å; Y222-V249 WeakPolarHBondContact OH-CG1 3.33Å; C246-V249 WeakPolarHBondContact O-CG1 3.2Å; C246-V249 PolarHBondContact O-N 3.35Å; V249-S252 PolarHBondContact O-N 2.87Å; V249-W253 WeakPolarHBondContact O-CB 3.46Å; V249-W253 PolarHBondContact O-N 3.06Å |
| 250 | V | 90.1 | Very high | 73.5 | Confident | 19 Ų | 19 | 77.3 Ų | 77.3 | 12% | 0.115 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -68 | -37.4 | 175.1 | 65.1 | 0 | 0 | 0 | 0 | 111.3 | L181 M219 Y222 P247 W253 L254 | L181-V250 HydrophobicContact CD1-CB 4.5Å; M219-V250 HydrophobicContact CE-CG2 3.78Å; M219-V250 HydrophobicContact SD-CG2 3.48Å; M219-V250 WeakPolarHBondContact SD-CG2 3.45Å; Y222-V250 HydrophobicContact CD1-CB 3.92Å; Y222-V250 HydrophobicContact CD1-CG1 4.2Å; Y222-V250 HydrophobicContact CD1-CG2 3.77Å; Y222-V250 HydrophobicContact CD2-CB 4.49Å; Y222-V250 HydrophobicContact CD2-CG2 4.42Å; Y222-V250 HydrophobicContact CE1-CB 3.56Å; Y222-V250 HydrophobicContact CE1-CG1 3.66Å; Y222-V250 HydrophobicContact CE1-CG2 3.97Å; Y222-V250 HydrophobicContact CE2-CB 4.19Å; Y222-V250 HydrophobicContact CG-CB 4.38Å; Y222-V250 HydrophobicContact CG-CG2 4.02Å; P247-V250 WeakPolarHBondContact O-CG1 3.44Å; V250-W253 PolarHBondContact O-N 3.45Å; V250-L254 VanDerWaalsContact O-CB 3.24Å; V250-L254 WeakPolarHBondContact O-CB 3.44Å; V250-L254 PolarHBondContact O-N 2.98Å |
| 251 | A | 89.5 | Confident | 76.3 | Confident | 53 Ų | 53 | 68.9 Ų | 68.9 | 44% | 0.438 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.9 | -42.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | P247 S248 L254 H255 | P247-A251 WeakPolarHBondContact O-CB 3.46Å; P247-A251 PolarHBondContact O-N 3.28Å; S248-A251 PolarHBondContact O-N 2.88Å; A251-L254 PolarHBondContact O-N 2.89Å; A251-H255 WeakPolarHBondContact O-CB 3.32Å; A251-H255 PolarHBondContact O-N 2.89Å |
| 252 | S | 91.5 | Very high | 78.9 | Confident | 67 Ų | 67 | 66.7 Ų | 66.7 | 47% | 0.469 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.9 | -43.2 | 175.1 | -66.1 | 0 | 0 | 0 | 0 | 111.9 | S248 V249 H255 Y256 | S248-S252 VanDerWaalsContact O-CB 3.29Å; S248-S252 WeakPolarHBondContact O-CB 3.1Å; S248-S252 PolarHBondContact O-N 3.38Å; S248-S252 PolarHBondContact O-OG 2.65Å; V249-S252 PolarHBondContact O-N 2.87Å; S252-H255 PolarHBondContact O-N 3.43Å; S252-Y256 WeakPolarHBondContact O-CB 3.46Å; S252-Y256 PolarHBondContact O-N 3.22Å |
| 253 | W | 93.7 | Very high | 81.6 | Confident | 20 Ų | 20 | 63.2 Ų | 63.2 | 8% | 0.076 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.9 | -44.8 | 175.2 | 176 | 80.9 | 0 | 0 | 0 | 111.9 | L181 D185 L188 M215 V218 M219 V249 V250 Y256 R257 | L181-W253 HydrophobicContact CD1-CB 4.07Å; L181-W253 HydrophobicContact CD1-CG 4.47Å; L181-W253 HydrophobicContact CD2-CB 4.44Å; L181-W253 HydrophobicContact CD2-CD2 4.06Å; L181-W253 HydrophobicContact CD2-CE3 4.3Å; L181-W253 HydrophobicContact CD2-CG 4.1Å; D185-W253 PolarHBondContact OD1-NE1 3.16Å; L188-W253 HydrophobicContact CD1-CZ2 4.46Å; M215-W253 HydrophobicContact CE-CE3 4.35Å; M215-W253 HydrophobicContact CE-CH2 3.78Å; M215-W253 HydrophobicContact CE-CZ3 3.6Å; M215-W253 HydrophobicContact SD-CH2 3.31Å; M215-W253 WeakPolarHBondContact SD-CH2 3.16Å; M215-W253 HydrophobicContact SD-CZ2 3.98Å; M215-W253 HydrophobicContact SD-CZ3 3.81Å; V218-W253 HydrophobicContact CB-CH2 3.77Å; V218-W253 HydrophobicContact CB-CZ2 4.44Å; V218-W253 HydrophobicContact CB-CZ3 4.3Å; V218-W253 HydrophobicContact CG1-CE3 4.47Å; V218-W253 HydrophobicContact CG1-CH2 3.49Å; V218-W253 VanDerWaalsContact CG1-CH2 3.49Å; V218-W253 HydrophobicContact CG1-CZ2 3.93Å; V218-W253 HydrophobicContact CG1-CZ3 3.81Å; V218-W253 HydrophobicContact CG2-CH2 4.31Å; M219-W253 HydrophobicContact CG-CZ3 4.45Å; M219-W253 HydrophobicContact SD-CE3 4.44Å; M219-W253 HydrophobicContact SD-CZ3 4.16Å; V249-W253 WeakPolarHBondContact O-CB 3.46Å; V249-W253 PolarHBondContact O-N 3.06Å; V250-W253 PolarHBondContact O-N 3.45Å; W253-Y256 PolarHBondContact O-N 2.86Å; W253-R257 HydrophobicContact CD2-CG 4.36Å; W253-R257 HydrophobicContact CZ2-CG 3.93Å; W253-R257 PolarHBondContact O-N 2.94Å |
| 254 | L | 92.5 | Very high | 84.4 | Confident | 9 Ų | 9 | 57.7 Ų | 57.7 | 5% | 0.047 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.3 | -45.4 | 177.7 | 176.4 | 56.4 | 0 | 0 | 0 | 111.6 | M215 M219 V250 A251 R257 L258 M291 T296 | M215-L254 HydrophobicContact CE-CD1 3.22Å; M219-L254 HydrophobicContact CE-CD2 4.32Å; M219-L254 HydrophobicContact SD-CD2 4.47Å; V250-L254 VanDerWaalsContact O-CB 3.24Å; V250-L254 WeakPolarHBondContact O-CB 3.44Å; V250-L254 PolarHBondContact O-N 2.98Å; A251-L254 PolarHBondContact O-N 2.89Å; L254-R257 PolarHBondContact O-N 3.23Å; L254-L258 HydrophobicContact CD1-CD1 4.06Å; L254-L258 HydrophobicContact CD1-CG 4.18Å; L254-L258 HydrophobicContact CG-CD1 4.18Å; L254-L258 WeakPolarHBondContact O-CB 3.39Å; L254-L258 WeakPolarHBondContact O-CG 3.27Å; L254-L258 PolarHBondContact O-N 3Å; L254-M291 HydrophobicContact CD1-CE 3.48Å; L254-M291 VanDerWaalsContact CD1-CE 3.48Å; L254-T296 HydrophobicContact CD2-CG2 3.8Å; L254-T296 WeakPolarHBondContact CD2-OG1 3.49Å; L254-T296 HydrophobicContact CG-CG2 4.3Å |
| 255 | H | 92.3 | Very high | 87 | Confident | 124 Ų | 124 | 50.3 Ų | 50.3 | 57% | 0.574 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -59.8 | -48.6 | 175.4 | 178.5 | 72.1 | 0 | 0 | 0 | 111.6 | A251 S252 R257 L258 Q259 | A251-H255 WeakPolarHBondContact O-CB 3.32Å; A251-H255 PolarHBondContact O-N 2.89Å; S252-H255 PolarHBondContact O-N 3.43Å; H255-R257 VanDerWaalsContact C-N 3.32Å; H255-R257 PolarHBondContact O-N 3.17Å; H255-L258 PolarHBondContact O-N 3.24Å; H255-Q259 WeakPolarHBondContact O-CB 3.49Å; H255-Q259 PolarHBondContact O-N 2.94Å |
| 256 | Y | 95.1 | Very high | 89.5 | Confident | 112 Ų | 112 | 45.4 Ų | 45.4 | 44% | 0.439 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -55.2 | -47.3 | 176.3 | 165.3 | -112.7 | 0 | 0 | 0 | 111.8 | S252 W253 Q259 C260 | S252-Y256 WeakPolarHBondContact O-CB 3.46Å; S252-Y256 PolarHBondContact O-N 3.22Å; W253-Y256 PolarHBondContact O-N 2.86Å; Y256-Q259 WeakPolarHBondContact O-CB 3.3Å; Y256-Q259 PolarHBondContact O-N 3.41Å; Y256-C260 VanDerWaalsContact CE2-SG 3.51Å; Y256-C260 PolarHBondContact O-N 3.08Å; Y256-C260 PolarHBondContact O-SG 3.15Å; Y256-C260 VanDerWaalsContact O-SG 3.34Å |
| 257 | R | 95.3 | Very high | 91.5 | Very high | 4 Ų | 4 | 48.6 Ų | 48.6 | 2% | 0.015 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.9 | -38.1 | -179.9 | -75.7 | -69.3 | 168.2 | -141.8 | 16.4 | 113.4 | D185 Y211 M215 W253 L254 H255 Q259 C260 F261 | D185-R257 IonicContact OD1-CZ 2.66Å; D185-R257 IonicContact OD1-NE 3.49Å; D185-R257 PolarHBondContact OD1-NE 3.37Å; D185-R257 IonicContact OD1-NH2 2.81Å; D185-R257 PolarHBondContact OD1-NH2 2.61Å; D185-R257 IonicContact OD2-CZ 3.68Å; D185-R257 IonicContact OD2-NH2 3.57Å; D185-R257 PolarHBondContact OD2-NH2 3.32Å; Y211-R257 HydrophobicContact CE1-CB 4.31Å; Y211-R257 WeakPolarHBondContact CE1-O 3.4Å; M215-R257 HydrophobicContact CE-CB 3.66Å; M215-R257 HydrophobicContact CE-CG 4.43Å; M215-R257 HydrophobicContact SD-CB 3.73Å; M215-R257 HydrophobicContact SD-CG 4.08Å; W253-R257 HydrophobicContact CD2-CG 4.36Å; W253-R257 HydrophobicContact CZ2-CG 3.93Å; W253-R257 PolarHBondContact O-N 2.94Å; L254-R257 PolarHBondContact O-N 3.23Å; H255-R257 VanDerWaalsContact C-N 3.32Å; H255-R257 PolarHBondContact O-N 3.17Å; R257-Q259 VanDerWaalsContact C-N 3.32Å; R257-C260 PolarHBondContact O-N 3.38Å; R257-F261 WeakPolarHBondContact O-CB 3.48Å; R257-F261 PolarHBondContact O-N 3.08Å |
| 258 | L | 94.3 | Very high | 92.8 | Very high | 13 Ų | 13 | 44.9 Ų | 44.9 | 7% | 0.068 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63 | -40.8 | 172.4 | -74.8 | 173.1 | 0 | 0 | 0 | 111.3 | L254 H255 F261 T262 F287 T296 A298 | L254-L258 HydrophobicContact CD1-CD1 4.06Å; L254-L258 HydrophobicContact CD1-CG 4.18Å; L254-L258 HydrophobicContact CG-CD1 4.18Å; L254-L258 WeakPolarHBondContact O-CB 3.39Å; L254-L258 WeakPolarHBondContact O-CG 3.27Å; L254-L258 PolarHBondContact O-N 3Å; H255-L258 PolarHBondContact O-N 3.24Å; L258-F261 WeakPolarHBondContact O-CB 3.34Å; L258-F261 PolarHBondContact O-N 3.17Å; L258-T262 VanDerWaalsContact O-CG2 3.32Å; L258-T262 WeakPolarHBondContact O-CG2 3.46Å; L258-T262 PolarHBondContact O-N 2.86Å; L258-T262 PolarHBondContact O-OG1 3.25Å; L258-F287 HydrophobicContact CD2-CE1 4.44Å; L258-F287 HydrophobicContact CD2-CZ 4.22Å; L258-T296 HydrophobicContact CD1-CG2 3.91Å; L258-A298 HydrophobicContact CD2-CB 3.86Å |
| 259 | Q | 95.7 | Very high | 93.6 | Very high | 90 Ų | 90 | 42.2 Ų | 42.2 | 42% | 0.421 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.2 | -50.8 | 175.3 | -174.3 | -178 | -13.4 | 0 | 0 | 111.2 | H255 Y256 R257 F261 T262 E263 | H255-Q259 WeakPolarHBondContact O-CB 3.49Å; H255-Q259 PolarHBondContact O-N 2.94Å; Y256-Q259 WeakPolarHBondContact O-CB 3.3Å; Y256-Q259 PolarHBondContact O-N 3.41Å; R257-Q259 VanDerWaalsContact C-N 3.32Å; Q259-F261 VanDerWaalsContact C-N 3.26Å; Q259-F261 PolarHBondContact O-N 3.27Å; Q259-T262 WeakPolarHBondContact CA-OG1 3.3Å; Q259-T262 PolarHBondContact O-N 2.74Å; Q259-T262 VanDerWaalsContact O-N 3.12Å; Q259-T262 PolarHBondContact O-OG1 2.97Å; Q259-E263 WeakPolarHBondContact CG-OE1 3.36Å; Q259-E263 PolarHBondContact NE2-OE1 3.05Å; Q259-E263 WeakPolarHBondContact O-CG 3.29Å; Q259-E263 PolarHBondContact O-N 2.95Å |
| 260 | C | 96.2 | Very high | 93.7 | Very high | 26 Ų | 26 | 46.4 Ų | 46.4 | 18% | 0.176 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -55.7 | -41.8 | 175.6 | -66.2 | 0 | 0 | 0 | 0 | 112.3 | Y256 R257 T264 | Y256-C260 VanDerWaalsContact CE2-SG 3.51Å; Y256-C260 PolarHBondContact O-N 3.08Å; Y256-C260 PolarHBondContact O-SG 3.15Å; Y256-C260 VanDerWaalsContact O-SG 3.34Å; R257-C260 PolarHBondContact O-N 3.38Å; C260-T264 WeakPolarHBondContact O-CB 3.48Å; C260-T264 PolarHBondContact O-N 2.75Å; C260-T264 PolarHBondContact O-OG1 3.12Å |
| 261 | F | 96.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.8 | -48 | 176.2 | 179.4 | -105.5 | 0 | 0 | 0 | 111.8 | I207 V208 Y211 R257 L258 Q259 E263 T264 L265 F287 L302 | I207-F261 HydrophobicContact CG2-CD2 4.16Å; I207-F261 HydrophobicContact CG2-CE2 4.13Å; V208-F261 HydrophobicContact CG2-CE2 4.02Å; V208-F261 HydrophobicContact CG2-CZ 3.98Å; Y211-F261 HydrophobicContact CD1-CB 4.04Å; Y211-F261 HydrophobicContact CD1-CD2 4.08Å; Y211-F261 HydrophobicContact CD1-CG 4.27Å; Y211-F261 AromaticContact CD2-CD2 3.54Å; Y211-F261 HydrophobicContact CD2-CD2 3.54Å; Y211-F261 HydrophobicContact CD2-CE2 4.19Å; Y211-F261 HydrophobicContact CD2-CG 4.45Å; Y211-F261 HydrophobicContact CE1-CB 3.67Å; Y211-F261 HydrophobicContact CE1-CD2 4.33Å; Y211-F261 HydrophobicContact CE1-CG 4.36Å; Y211-F261 HydrophobicContact CE2-CB 4.25Å; Y211-F261 AromaticContact CE2-CD2 3.8Å; Y211-F261 HydrophobicContact CE2-CD2 3.8Å; Y211-F261 HydrophobicContact CG-CB 4.48Å; Y211-F261 AromaticContact CG-CD2 3.68Å; Y211-F261 HydrophobicContact CG-CD2 3.68Å; Y211-F261 HydrophobicContact CG-CE2 4.29Å; Y211-F261 HydrophobicContact CG-CG 4.32Å; R257-F261 WeakPolarHBondContact O-CB 3.48Å; R257-F261 PolarHBondContact O-N 3.08Å; L258-F261 WeakPolarHBondContact O-CB 3.34Å; L258-F261 PolarHBondContact O-N 3.17Å; Q259-F261 VanDerWaalsContact C-N 3.26Å; Q259-F261 PolarHBondContact O-N 3.27Å; F261-E263 PolarHBondContact O-N 2.87Å; F261-T264 PolarHBondContact O-N 2.9Å; F261-L265 HydrophobicContact CE1-CD2 4.14Å; F261-L265 HydrophobicContact CZ-CD2 4.49Å; F261-L265 VanDerWaalsContact O-CB 3.29Å; F261-L265 WeakPolarHBondContact O-CB 3.43Å; F261-L265 PolarHBondContact O-N 3.43Å; F261-F287 AromaticContact CD1-CE1 3.85Å; F261-F287 HydrophobicContact CD1-CE1 3.85Å; F261-F287 AromaticContact CE1-CD1 3.87Å; F261-F287 HydrophobicContact CE1-CD1 3.87Å; F261-F287 AromaticContact CE1-CE1 3.61Å; F261-F287 HydrophobicContact CE1-CE1 3.61Å; F261-F287 HydrophobicContact CG-CE1 4.43Å; F261-F287 AromaticContact CZ-CD1 3.97Å; F261-F287 HydrophobicContact CZ-CD1 3.97Å; F261-F287 HydrophobicContact CZ-CE1 4Å; F261-L302 HydrophobicContact CD1-CD2 3.92Å; F261-L302 HydrophobicContact CE1-CD1 4.06Å; F261-L302 HydrophobicContact CE1-CD2 3.56Å; F261-L302 HydrophobicContact CE1-CG 4.47Å |
| 262 | T | 95.7 | Very high | 93.7 | Very high | 29 Ų | 29 | 50 Ų | 50 | 18% | 0.178 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64 | -38.3 | -178.9 | 53.8 | 0 | 0 | 0 | 0 | 113.1 | L258 Q259 S266 L302 I305 | L258-T262 VanDerWaalsContact O-CG2 3.32Å; L258-T262 WeakPolarHBondContact O-CG2 3.46Å; L258-T262 PolarHBondContact O-N 2.86Å; L258-T262 PolarHBondContact O-OG1 3.25Å; Q259-T262 WeakPolarHBondContact CA-OG1 3.3Å; Q259-T262 PolarHBondContact O-N 2.74Å; Q259-T262 VanDerWaalsContact O-N 3.12Å; Q259-T262 PolarHBondContact O-OG1 2.97Å; T262-S266 WeakPolarHBondContact O-CB 3.44Å; T262-S266 PolarHBondContact O-N 3.01Å; T262-S266 PolarHBondContact O-OG 3.43Å; T262-L302 HydrophobicContact CG2-CD2 4.2Å; T262-I305 HydrophobicContact CG2-CD1 3.68Å |
| 263 | E | 95.8 | Very high | 93.6 | Very high | 98 Ų | 98 | 49.5 Ų | 49.5 | 46% | 0.458 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66.2 | -44.3 | 174.4 | -71.5 | 173.7 | -168.9 | 0 | 0 | 110.7 | Q259 F261 N267 | Q259-E263 WeakPolarHBondContact CG-OE1 3.36Å; Q259-E263 PolarHBondContact NE2-OE1 3.05Å; Q259-E263 WeakPolarHBondContact O-CG 3.29Å; Q259-E263 PolarHBondContact O-N 2.95Å; F261-E263 PolarHBondContact O-N 2.87Å; E263-N267 PolarHBondContact O-N 2.94Å; E263-N267 PolarHBondContact O-ND2 3.28Å |
| 264 | T | 94.1 | Very high | 93.3 | Very high | 43 Ų | 43 | 50.5 Ų | 50.5 | 26% | 0.264 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.3 | -47.7 | 177.2 | -57 | 0 | 0 | 0 | 0 | 111 | I207 C260 F261 S266 N267 C268 | I207-T264 HydrophobicContact CD1-CG2 3.86Å; C260-T264 WeakPolarHBondContact O-CB 3.48Å; C260-T264 PolarHBondContact O-N 2.75Å; C260-T264 PolarHBondContact O-OG1 3.12Å; F261-T264 PolarHBondContact O-N 2.9Å; T264-S266 PolarHBondContact O-N 3.1Å; T264-N267 PolarHBondContact O-N 3.24Å; T264-C268 WeakPolarHBondContact O-CB 3.33Å; T264-C268 PolarHBondContact O-N 3.4Å; T264-C268 PolarHBondContact O-SG 3.11Å |
| 265 | L | 95.8 | Very high | 93.1 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -56.9 | -51.2 | 178.8 | 176.3 | 61.8 | 0 | 0 | 0 | 111.1 | L204 F261 N267 C268 L269 L302 I305 F306 | L204-L265 HydrophobicContact CD1-CD1 3.81Å; L204-L265 HydrophobicContact CD2-CD1 3.88Å; L204-L265 HydrophobicContact CG-CD1 4.37Å; F261-L265 HydrophobicContact CE1-CD2 4.14Å; F261-L265 HydrophobicContact CZ-CD2 4.49Å; F261-L265 VanDerWaalsContact O-CB 3.29Å; F261-L265 WeakPolarHBondContact O-CB 3.43Å; F261-L265 PolarHBondContact O-N 3.43Å; L265-N267 VanDerWaalsContact C-N 3.27Å; L265-N267 PolarHBondContact O-N 3.46Å; L265-C268 PolarHBondContact O-N 3.49Å; L265-L269 HydrophobicContact CD1-CD1 3.99Å; L265-L269 HydrophobicContact CD1-CD2 4.31Å; L265-L269 HydrophobicContact CD1-CG 3.95Å; L265-L269 HydrophobicContact CG-CD1 3.99Å; L265-L269 HydrophobicContact CG-CG 4.36Å; L265-L269 WeakPolarHBondContact O-CB 3.34Å; L265-L269 VanDerWaalsContact O-CG 3.25Å; L265-L269 WeakPolarHBondContact O-CG 3.41Å; L265-L269 PolarHBondContact O-N 3.33Å; L265-L302 HydrophobicContact CD2-CD2 3.96Å; L265-I305 HydrophobicContact CD2-CD1 4.14Å; L265-I305 HydrophobicContact CD2-CG2 4.23Å; L265-I305 HydrophobicContact CG-CG2 4.23Å; L265-F306 HydrophobicContact CD1-CZ 4.24Å; L265-F306 HydrophobicContact CD2-CE2 4.21Å; L265-F306 HydrophobicContact CD2-CZ 4.41Å |
| 266 | S | 95.2 | Very high | 93 | Very high | 48 Ų | 48 | 54.5 Ų | 54.5 | 34% | 0.336 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -55.8 | -42.4 | 178.6 | -59.1 | 0 | 0 | 0 | 0 | 112.2 | T262 T264 | T262-S266 WeakPolarHBondContact O-CB 3.44Å; T262-S266 PolarHBondContact O-N 3.01Å; T262-S266 PolarHBondContact O-OG 3.43Å; T264-S266 PolarHBondContact O-N 3.1Å |
| 267 | N | 93.1 | Very high | 92.8 | Very high | 100 Ų | 100 | 49.2 Ų | 49.2 | 54% | 0.535 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -71.5 | -40 | 179.2 | -72.4 | -40.3 | 0 | 0 | 0 | 113.2 | E263 T264 L265 H271 | E263-N267 PolarHBondContact O-N 2.94Å; E263-N267 PolarHBondContact O-ND2 3.28Å; T264-N267 PolarHBondContact O-N 3.24Å; L265-N267 VanDerWaalsContact C-N 3.27Å; L265-N267 PolarHBondContact O-N 3.46Å; N267-H271 PolarHBondContact O-ND1 3.04Å; N267-H271 VanDerWaalsContact O-ND1 3.14Å |
| 268 | C | 91.2 | Very high | 92.7 | Very high | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.014 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.2 | -39.8 | 177.7 | -67.4 | 0 | 0 | 0 | 0 | 111.4 | E200 L204 T264 L265 L270 H271 C272 | E200-C268 HydrophobicContact CG-CB 4.15Å; E200-C268 PolarHBondContact OE1-SG 2.85Å; L204-C268 HydrophobicContact CB-CB 4.35Å; L204-C268 HydrophobicContact CD1-CB 3.97Å; L204-C268 HydrophobicContact CD2-CB 4.02Å; L204-C268 HydrophobicContact CG-CB 4.35Å; T264-C268 WeakPolarHBondContact O-CB 3.33Å; T264-C268 PolarHBondContact O-N 3.4Å; T264-C268 PolarHBondContact O-SG 3.11Å; L265-C268 PolarHBondContact O-N 3.49Å; C268-L270 PolarHBondContact O-N 3.43Å; C268-H271 PolarHBondContact O-N 3.43Å; C268-H271 VanDerWaalsContact O-N 3.08Å; C268-C272 PolarHBondContact O-N 2.92Å |
| 269 | L | 93.3 | Very high | 92.7 | Very high | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.5 | -33.9 | -179 | -74.5 | 174.8 | 0 | 0 | 0 | 112.8 | L204 L265 H271 C272 L277 I280 I305 F306 H309 | L204-L269 HydrophobicContact CD2-CD2 4.18Å; L265-L269 HydrophobicContact CD1-CD1 3.99Å; L265-L269 HydrophobicContact CD1-CD2 4.31Å; L265-L269 HydrophobicContact CD1-CG 3.95Å; L265-L269 HydrophobicContact CG-CD1 3.99Å; L265-L269 HydrophobicContact CG-CG 4.36Å; L265-L269 WeakPolarHBondContact O-CB 3.34Å; L265-L269 VanDerWaalsContact O-CG 3.25Å; L265-L269 WeakPolarHBondContact O-CG 3.41Å; L265-L269 PolarHBondContact O-N 3.33Å; L269-H271 PolarHBondContact O-N 2.84Å; L269-C272 PolarHBondContact O-N 2.9Å; L269-C272 VanDerWaalsContact O-N 3.11Å; L269-L277 HydrophobicContact CD2-CD2 3.81Å; L269-I280 HydrophobicContact CD2-CG2 4.23Å; L269-I305 HydrophobicContact CD1-CG2 3.77Å; L269-F306 HydrophobicContact CD1-CD1 4.15Å; L269-F306 HydrophobicContact CD1-CE1 3.99Å; L269-F306 HydrophobicContact CD1-CZ 4.46Å; L269-F306 HydrophobicContact CD2-CD1 4.41Å; L269-F306 HydrophobicContact CD2-CE1 3.75Å; L269-F306 HydrophobicContact CD2-CZ 4.47Å; L269-H309 VanDerWaalsContact C-CE1 3.43Å; L269-H309 HydrophobicContact CD1-CB 4.38Å; L269-H309 PolarHBondContact O-CE1 3.39Å; L269-H309 PolarHBondContact O-NE2 3.43Å |
| 270 | L | 91.1 | Very high | 92.6 | Very high | 115 Ų | 115 | 48.1 Ų | 48.1 | 60% | 0.602 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -24.9 | 176.6 | -64.7 | 174.2 | 0 | 0 | 0 | 114.1 | C268 | C268-L270 PolarHBondContact O-N 3.43Š|
| 271 | H | 90.4 | Very high | 92.5 | Very high | 138 Ų | 138 | 48.6 Ų | 48.6 | 64% | 0.639 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.9 | 1 | -176.6 | -51.8 | 89.2 | 0 | 0 | 0 | 112.3 | E200 N267 C268 L269 | E200-H271 HydrophobicContact CB-CB 4.28Å; E200-H271 HydrophobicContact CG-CB 4.16Å; N267-H271 PolarHBondContact O-ND1 3.04Å; N267-H271 VanDerWaalsContact O-ND1 3.14Å; C268-H271 PolarHBondContact O-N 3.43Å; C268-H271 VanDerWaalsContact O-N 3.08Å; L269-H271 PolarHBondContact O-N 2.84Å |
| 272 | C | 89.3 | Confident | 92.4 | Very high | 11 Ų | 11 | 54.5 Ų | 54.5 | 7% | 0.074 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -79.6 | 137.4 | -179.6 | -174.9 | 0 | 0 | 0 | 0 | 110.8 | C268 L269 V274 I280 | C268-C272 PolarHBondContact O-N 2.92Å; L269-C272 PolarHBondContact O-N 2.9Å; L269-C272 VanDerWaalsContact O-N 3.11Å; C272-V274 PolarHBondContact O-N 3.18Å; C272-I280 HydrophobicContact CB-CD1 4.33Å; C272-I280 WeakPolarHBondContact SG-CD1 3.25Å |
| 273 | P | 88.5 | Confident | 92.4 | Very high | 56 Ų | 56 | 56.7 Ų | 56.7 | 36% | 0.364 | 29% | 0.294 | S | S | . | . | trans | -58.6 | 135.8 | 169 | -22.6 | 33.6 | 0 | 0 | 0 | 112.1 | D275 R276 | P273-D275 VanDerWaalsContact C-N 3.3Å; P273-D275 WeakPolarHBondContact CB-OD1 3.18Å; P273-D275 PolarHBondContact O-N 3.32Å; P273-R276 HydrophobicContact CB-CG 4.13Å; P273-R276 PolarHBondContact O-N 2.91Å; P273-R276 VanDerWaalsContact O-N 3.16Å | ||
| 274 | V | 88.6 | Confident | 92.4 | Very high | 40 Ų | 40 | 52 Ų | 52 | 24% | 0.242 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -63 | -36.5 | -176.3 | -178.5 | 0 | 0 | 0 | 0 | 111.9 | C272 R276 L277 L313 K384 L385 | C272-V274 PolarHBondContact O-N 3.18Å; V274-R276 PolarHBondContact O-N 2.96Å; V274-R276 VanDerWaalsContact O-N 3.12Å; V274-L277 HydrophobicContact CB-CD1 4.3Å; V274-L277 HydrophobicContact CG1-CD1 3.95Å; V274-L277 WeakPolarHBondContact O-CB 3.44Å; V274-L277 WeakPolarHBondContact O-CG 3.29Å; V274-L277 PolarHBondContact O-N 3.38Å; V274-L313 HydrophobicContact CG2-CD1 4.04Å; V274-L313 HydrophobicContact CG2-CD2 4.4Å; V274-K384 HydrophobicContact CG1-CB 4.12Å; V274-L385 HydrophobicContact CG1-CD2 3.69Å |
| 275 | D | 87.1 | Confident | 92.4 | Very high | 110 Ų | 110 | 51.9 Ų | 51.9 | 59% | 0.588 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -68.4 | -5.4 | 178.9 | 63.5 | -51.9 | 0 | 0 | 0 | 114 | P273 | P273-D275 VanDerWaalsContact C-N 3.3Å; P273-D275 WeakPolarHBondContact CB-OD1 3.18Å; P273-D275 PolarHBondContact O-N 3.32Å |
| 276 | R | 90.2 | Very high | 92.3 | Very high | 107 Ų | 107 | 58.4 Ų | 58.4 | 40% | 0.404 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -113.8 | -0 | 178 | -55.3 | -66 | -75.4 | -173.2 | -2.2 | 113.1 | Y201 P273 V274 D278 S279 I280 | Y201-R276 HydrophobicContact CD2-CB 3.55Å; Y201-R276 HydrophobicContact CD2-CG 4.16Å; Y201-R276 HydrophobicContact CE2-CB 3.64Å; Y201-R276 HydrophobicContact CE2-CG 4.32Å; Y201-R276 HydrophobicContact CG-CB 4.43Å; Y201-R276 PolarHBondContact OH-NH2 3.09Å; P273-R276 HydrophobicContact CB-CG 4.13Å; P273-R276 PolarHBondContact O-N 2.91Å; P273-R276 VanDerWaalsContact O-N 3.16Å; V274-R276 PolarHBondContact O-N 2.96Å; V274-R276 VanDerWaalsContact O-N 3.12Å; R276-D278 VanDerWaalsContact C-N 3.32Å; R276-D278 PolarHBondContact O-N 3.08Å; R276-S279 PolarHBondContact O-N 3.07Å; R276-I280 PolarHBondContact O-N 2.83Å |
| 277 | L | 92.1 | Very high | 92.2 | Very high | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.3 | -36.1 | -176.6 | -74.7 | 174.1 | 0 | 0 | 0 | 112.6 | L269 V274 I280 M281 L313 C388 | L269-L277 HydrophobicContact CD2-CD2 3.81Å; V274-L277 HydrophobicContact CB-CD1 4.3Å; V274-L277 HydrophobicContact CG1-CD1 3.95Å; V274-L277 WeakPolarHBondContact O-CB 3.44Å; V274-L277 WeakPolarHBondContact O-CG 3.29Å; V274-L277 PolarHBondContact O-N 3.38Å; L277-I280 PolarHBondContact O-N 3.14Å; L277-M281 VanDerWaalsContact O-CB 3.23Å; L277-M281 WeakPolarHBondContact O-CB 3.2Å; L277-M281 PolarHBondContact O-N 3.45Å; L277-L313 HydrophobicContact CD1-CD1 3.73Å; L277-C388 HydrophobicContact CB-CB 4.43Å |
| 278 | D | 92.9 | Very high | 92.3 | Very high | 55 Ų | 55 | 51.4 Ų | 51.4 | 29% | 0.294 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -57.9 | -48.3 | 176 | 66.5 | -36.5 | 0 | 0 | 0 | 111.7 | R276 M281 M282 C388 | R276-D278 VanDerWaalsContact C-N 3.32Å; R276-D278 PolarHBondContact O-N 3.08Å; D278-M281 PolarHBondContact O-N 3.02Å; D278-M282 WeakPolarHBondContact O-CB 3.4Å; D278-M282 VanDerWaalsContact O-CG 3.29Å; D278-M282 WeakPolarHBondContact O-CG 3.43Å; D278-M282 PolarHBondContact O-N 3.24Å; D278-C388 HydrophobicContact CB-CB 3.99Å |
| 279 | S | 93.4 | Very high | 92.3 | Very high | 29 Ų | 29 | 53.1 Ų | 53.1 | 20% | 0.203 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.6 | -46.6 | 179.6 | 171.6 | 0 | 0 | 0 | 0 | 111.4 | Y201 R276 M282 H283 | Y201-S279 PolarHBondContact OH-OG 3.08Å; R276-S279 PolarHBondContact O-N 3.07Å; S279-M282 PolarHBondContact O-N 3.28Å; S279-H283 PolarHBondContact O-N 3.17Å; S279-H283 PolarHBondContact O-ND1 2.73Å |
| 280 | I | 94.3 | Very high | 92 | Very high | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64 | -45.6 | 177.5 | -75.6 | 157.3 | 0 | 0 | 0 | 110.9 | Y201 L204 L269 C272 R276 L277 M282 H283 C284 F306 | Y201-I280 HydrophobicContact CD2-CD1 3.4Å; Y201-I280 VanDerWaalsContact CD2-CD1 3.4Å; Y201-I280 HydrophobicContact CD2-CG1 3.77Å; Y201-I280 HydrophobicContact CE2-CD1 3.83Å; Y201-I280 HydrophobicContact CE2-CG1 3.68Å; Y201-I280 HydrophobicContact CG-CD1 4.5Å; L204-I280 HydrophobicContact CD2-CD1 3.88Å; L204-I280 HydrophobicContact CD2-CG1 4.18Å; L204-I280 HydrophobicContact CD2-CG2 3.57Å; L204-I280 HydrophobicContact CG-CG2 4.25Å; L269-I280 HydrophobicContact CD2-CG2 4.23Å; C272-I280 HydrophobicContact CB-CD1 4.33Å; C272-I280 WeakPolarHBondContact SG-CD1 3.25Å; R276-I280 PolarHBondContact O-N 2.83Å; L277-I280 PolarHBondContact O-N 3.14Å; I280-M282 VanDerWaalsContact C-N 3.28Å; I280-M282 PolarHBondContact O-N 3.18Å; I280-H283 PolarHBondContact O-N 2.75Å; I280-C284 WeakPolarHBondContact O-CB 3.37Å; I280-C284 PolarHBondContact O-N 3.49Å; I280-C284 PolarHBondContact O-SG 3.29Å; I280-C284 VanDerWaalsContact O-SG 3.42Å; I280-F306 HydrophobicContact CG2-CE1 3.99Å; I280-F306 HydrophobicContact CG2-CZ 3.87Å |
| 281 | M | 94.6 | Very high | 91.9 | Very high | 36 Ų | 36 | 48 Ų | 48 | 18% | 0.177 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.7 | -44.2 | 179 | -173.4 | 175.1 | 68.7 | 0 | 0 | 110.5 | L277 D278 H283 C284 M285 F306 C388 | L277-M281 VanDerWaalsContact O-CB 3.23Å; L277-M281 WeakPolarHBondContact O-CB 3.2Å; L277-M281 PolarHBondContact O-N 3.45Å; D278-M281 PolarHBondContact O-N 3.02Å; M281-H283 PolarHBondContact O-N 3.11Å; M281-C284 PolarHBondContact O-N 2.79Å; M281-M285 HydrophobicContact CG-CG 4.5Å; M281-M285 VanDerWaalsContact O-CG 3.29Å; M281-M285 WeakPolarHBondContact O-CG 3.31Å; M281-M285 PolarHBondContact O-N 3.03Å; M281-F306 HydrophobicContact CB-CD1 4.11Å; M281-F306 HydrophobicContact CB-CE1 3.9Å; M281-F306 HydrophobicContact CB-CE2 4.36Å; M281-F306 HydrophobicContact CB-CG 4.43Å; M281-F306 HydrophobicContact CB-CZ 4.06Å; M281-F306 HydrophobicContact CG-CD1 4.21Å; M281-F306 HydrophobicContact CG-CD2 3.98Å; M281-F306 HydrophobicContact CG-CE1 4.36Å; M281-F306 HydrophobicContact CG-CE2 4.17Å; M281-F306 HydrophobicContact CG-CG 4.04Å; M281-F306 HydrophobicContact CG-CZ 4.36Å; M281-F306 HydrophobicContact SD-CB 4.3Å; M281-F306 HydrophobicContact SD-CG 4.25Å; M281-C388 HydrophobicContact CE-CB 4.05Å; M281-C388 WeakPolarHBondContact CE-O 3.39Å |
| 282 | M | 94.4 | Very high | 91.8 | Very high | 123 Ų | 123 | 42.9 Ų | 42.9 | 61% | 0.606 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -60.9 | -44 | 175.8 | -74.8 | -60.6 | -63.8 | 0 | 0 | 112.7 | D278 S279 I280 M285 Y286 | D278-M282 WeakPolarHBondContact O-CB 3.4Å; D278-M282 VanDerWaalsContact O-CG 3.29Å; D278-M282 WeakPolarHBondContact O-CG 3.43Å; D278-M282 PolarHBondContact O-N 3.24Å; S279-M282 PolarHBondContact O-N 3.28Å; I280-M282 VanDerWaalsContact C-N 3.28Å; I280-M282 PolarHBondContact O-N 3.18Å; M282-M285 PolarHBondContact O-N 2.95Å; M282-Y286 PolarHBondContact O-N 3.18Å |
| 283 | H | 94.1 | Very high | 91.5 | Very high | 76 Ų | 76 | 51.3 Ų | 51.3 | 35% | 0.352 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.1 | -43 | 175.3 | -65.9 | 154.6 | 0 | 0 | 0 | 111.9 | N205 V208 S279 I280 M281 M285 Y286 F287 | N205-H283 PolarHBondContact OD1-CE1 3.42Å; N205-H283 PolarHBondContact OD1-ND1 3.43Å; V208-H283 HydrophobicContact CG1-CB 4.12Å; S279-H283 PolarHBondContact O-N 3.17Å; S279-H283 PolarHBondContact O-ND1 2.73Å; I280-H283 PolarHBondContact O-N 2.75Å; M281-H283 PolarHBondContact O-N 3.11Å; H283-M285 PolarHBondContact O-N 3.41Å; H283-Y286 PolarHBondContact O-N 3.49Å; H283-F287 PolarHBondContact O-N 3.3Å |
| 284 | C | 96.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63 | -38.8 | 174.9 | -72.6 | 0 | 0 | 0 | 0 | 112.6 | I280 M281 F287 G288 L302 F306 | I280-C284 WeakPolarHBondContact O-CB 3.37Å; I280-C284 PolarHBondContact O-N 3.49Å; I280-C284 PolarHBondContact O-SG 3.29Å; I280-C284 VanDerWaalsContact O-SG 3.42Å; M281-C284 PolarHBondContact O-N 2.79Å; C284-F287 WeakPolarHBondContact O-CB 3.38Å; C284-F287 PolarHBondContact O-N 2.75Å; C284-G288 PolarHBondContact O-N 3.37Å; C284-L302 HydrophobicContact CB-CD1 4.03Å; C284-L302 WeakPolarHBondContact O-CD1 3.33Å; C284-F306 HydrophobicContact CB-CE2 3.79Å; C284-F306 HydrophobicContact CB-CZ 4.03Å |
| 285 | M | 94.9 | Very high | 90.7 | Very high | 40 Ų | 40 | 50 Ų | 50 | 20% | 0.197 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.7 | -39.7 | 175.5 | -70.5 | -52.7 | 112 | 0 | 0 | 111.9 | M281 M282 H283 G288 A289 R299 L302 V303 F306 | M281-M285 HydrophobicContact CG-CG 4.5Å; M281-M285 VanDerWaalsContact O-CG 3.29Å; M281-M285 WeakPolarHBondContact O-CG 3.31Å; M281-M285 PolarHBondContact O-N 3.03Å; M282-M285 PolarHBondContact O-N 2.95Å; H283-M285 PolarHBondContact O-N 3.41Å; M285-G288 PolarHBondContact O-N 3.02Å; M285-A289 WeakPolarHBondContact O-CB 3.33Å; M285-A289 PolarHBondContact O-N 2.91Å; M285-R299 HydrophobicContact SD-CB 4.09Å; M285-R299 HydrophobicContact SD-CG 3.97Å; M285-L302 HydrophobicContact CE-CB 3.75Å; M285-V303 HydrophobicContact CE-CG2 3.88Å; M285-V303 HydrophobicContact SD-CG2 3.92Å; M285-F306 HydrophobicContact CE-CD2 4.39Å; M285-F306 HydrophobicContact CE-CE2 4.44Å |
| 286 | Y | 93.6 | Very high | 90.6 | Very high | 138 Ų | 138 | 46.8 Ų | 46.8 | 54% | 0.541 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.3 | -43.3 | 174.7 | -174.2 | -115.8 | 0 | 0 | 0 | 111.7 | M282 H283 A289 S290 | M282-Y286 PolarHBondContact O-N 3.18Å; H283-Y286 PolarHBondContact O-N 3.49Å; Y286-A289 PolarHBondContact O-N 3.34Å; Y286-S290 WeakPolarHBondContact O-CB 3.41Å; Y286-S290 PolarHBondContact O-N 3.12Å |
| 287 | F | 94.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -55.3 | -54.6 | 170.5 | 162.1 | -118.1 | 0 | 0 | 0 | 111.3 | V208 Q212 L258 F261 H283 C284 A289 S290 M291 L302 | V208-F287 HydrophobicContact CG1-CB 3.95Å; Q212-F287 HydrophobicContact CB-CB 4.43Å; Q212-F287 HydrophobicContact CB-CD2 3.85Å; L258-F287 HydrophobicContact CD2-CE1 4.44Å; L258-F287 HydrophobicContact CD2-CZ 4.22Å; F261-F287 AromaticContact CD1-CE1 3.85Å; F261-F287 HydrophobicContact CD1-CE1 3.85Å; F261-F287 AromaticContact CE1-CD1 3.87Å; F261-F287 HydrophobicContact CE1-CD1 3.87Å; F261-F287 AromaticContact CE1-CE1 3.61Å; F261-F287 HydrophobicContact CE1-CE1 3.61Å; F261-F287 HydrophobicContact CG-CE1 4.43Å; F261-F287 AromaticContact CZ-CD1 3.97Å; F261-F287 HydrophobicContact CZ-CD1 3.97Å; F261-F287 HydrophobicContact CZ-CE1 4Å; H283-F287 PolarHBondContact O-N 3.3Å; C284-F287 WeakPolarHBondContact O-CB 3.38Å; C284-F287 PolarHBondContact O-N 2.75Å; F287-A289 VanDerWaalsContact C-N 3.29Å; F287-A289 PolarHBondContact O-N 3Å; F287-S290 WeakPolarHBondContact O-CB 3.29Å; F287-S290 PolarHBondContact O-N 2.92Å; F287-S290 PolarHBondContact O-OG 3.38Å; F287-M291 HydrophobicContact CD2-CG 3.85Å; F287-M291 HydrophobicContact CE2-CG 3.35Å; F287-M291 HydrophobicContact CE2-SD 3.91Å; F287-M291 HydrophobicContact CZ-CG 3.8Å; F287-M291 WeakPolarHBondContact O-CG 3.44Å; F287-M291 PolarHBondContact O-N 3.28Å; F287-L302 HydrophobicContact CD1-CD1 3.92Å; F287-L302 HydrophobicContact CE1-CD1 4.32Å |
| 288 | G | 93.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.2 | -39.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | C284 M285 M291 G292 | C284-G288 PolarHBondContact O-N 3.37Å; M285-G288 PolarHBondContact O-N 3.02Å; G288-M291 PolarHBondContact O-N 3.02Å; G288-G292 PolarHBondContact O-N 3.42Å; G288-G292 VanDerWaalsContact O-N 3.07Å |
| 289 | A | 90.7 | Very high | 90.4 | Very high | 38 Ų | 38 | 46.9 Ų | 46.9 | 31% | 0.314 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -66.9 | -39 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | M285 Y286 F287 M291 G292 | M285-A289 WeakPolarHBondContact O-CB 3.33Å; M285-A289 PolarHBondContact O-N 2.91Å; Y286-A289 PolarHBondContact O-N 3.34Å; F287-A289 VanDerWaalsContact C-N 3.29Å; F287-A289 PolarHBondContact O-N 3Å; A289-M291 VanDerWaalsContact C-N 3.29Å; A289-M291 PolarHBondContact O-N 2.87Å; A289-G292 PolarHBondContact O-N 2.87Å |
| 290 | S | 88.9 | Confident | 90.3 | Very high | 9 Ų | 9 | 51.2 Ų | 51.2 | 6% | 0.063 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63 | -38.1 | 174.9 | 77.6 | 0 | 0 | 0 | 0 | 111.4 | Y286 F287 G292 R293 | Y286-S290 WeakPolarHBondContact O-CB 3.41Å; Y286-S290 PolarHBondContact O-N 3.12Å; F287-S290 WeakPolarHBondContact O-CB 3.29Å; F287-S290 PolarHBondContact O-N 2.92Å; F287-S290 PolarHBondContact O-OG 3.38Å; S290-G292 VanDerWaalsContact C-N 3.3Å; S290-G292 PolarHBondContact O-N 3.36Å; S290-R293 VanDerWaalsContact O-CB 3.29Å; S290-R293 WeakPolarHBondContact O-CB 3.48Å; S290-R293 PolarHBondContact O-N 3.37Å; S290-R293 VanDerWaalsContact O-N 3.11Å |
| 291 | M | 88.1 | Confident | 90.3 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.1 | -29.6 | 175.2 | -68.7 | -61.3 | -63.3 | 0 | 0 | 112.4 | M215 L254 F287 G288 A289 R293 V294 G295 T296 | M215-M291 HydrophobicContact CB-CE 3.95Å; M215-M291 HydrophobicContact CB-SD 3.61Å; M215-M291 HydrophobicContact CE-CE 4.18Å; L254-M291 HydrophobicContact CD1-CE 3.48Å; L254-M291 VanDerWaalsContact CD1-CE 3.48Å; F287-M291 HydrophobicContact CD2-CG 3.85Å; F287-M291 HydrophobicContact CE2-CG 3.35Å; F287-M291 HydrophobicContact CE2-SD 3.91Å; F287-M291 HydrophobicContact CZ-CG 3.8Å; F287-M291 WeakPolarHBondContact O-CG 3.44Å; F287-M291 PolarHBondContact O-N 3.28Å; G288-M291 PolarHBondContact O-N 3.02Å; A289-M291 VanDerWaalsContact C-N 3.29Å; A289-M291 PolarHBondContact O-N 2.87Å; M291-R293 PolarHBondContact O-N 3.23Å; M291-V294 HydrophobicContact CB-CG2 4.49Å; M291-V294 HydrophobicContact CE-CG2 3.73Å; M291-V294 CarbonylContact O-C 3.41Å; M291-V294 WeakPolarHBondContact O-CG2 3.23Å; M291-V294 PolarHBondContact O-N 3.35Å; M291-V294 HydrophobicContact SD-CG2 3.99Å; M291-G295 PolarHBondContact O-N 3.37Å; M291-T296 CarbonylContact C-O 3.59Å; M291-T296 WeakPolarHBondContact CB-O 3.28Å; M291-T296 CarbonylContact O-C 3.54Å; M291-T296 PolarHBondContact O-N 3.14Å; M291-T296 VanDerWaalsContact O-O 3.12Å |
| 292 | G | 87.3 | Confident | 90.3 | Very high | 30 Ų | 30 | 53 Ų | 53 | 31% | 0.309 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -54.8 | -32.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | G288 A289 S290 V294 G295 T296 | G288-G292 PolarHBondContact O-N 3.42Å; G288-G292 VanDerWaalsContact O-N 3.07Å; A289-G292 PolarHBondContact O-N 2.87Å; S290-G292 VanDerWaalsContact C-N 3.3Å; S290-G292 PolarHBondContact O-N 3.36Å; G292-V294 VanDerWaalsContact C-N 3.29Å; G292-V294 PolarHBondContact O-N 2.98Å; G292-G295 WeakPolarHBondContact O-CA 3.3Å; G292-G295 PolarHBondContact O-N 3.49Å; G292-T296 PolarHBondContact N-O 2.85Å |
| 293 | R | 84.2 | Confident | 90.2 | Very high | 189 Ų | 189 | 49.6 Ų | 49.6 | 71% | 0.713 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -68.7 | -27.5 | 176.6 | -56.9 | -180 | -179.4 | 177.6 | 0.6 | 113.1 | F216 S290 M291 G295 | F216-R293 HydrophobicContact CE2-CB 4.34Å; S290-R293 VanDerWaalsContact O-CB 3.29Å; S290-R293 WeakPolarHBondContact O-CB 3.48Å; S290-R293 PolarHBondContact O-N 3.37Å; S290-R293 VanDerWaalsContact O-N 3.11Å; M291-R293 PolarHBondContact O-N 3.23Å; R293-G295 VanDerWaalsContact C-N 3.26Å |
| 294 | V | 81 | Confident | 90.2 | Very high | 6 Ų | 6 | 49.6 Ų | 49.6 | 4% | 0.036 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | 14.3 | 171.7 | -60.8 | 0 | 0 | 0 | 0 | 111.8 | F216 M219 R223 M291 G292 | F216-V294 HydrophobicContact CD2-CG1 3.64Å; F216-V294 HydrophobicContact CE2-CG1 3.82Å; F216-V294 HydrophobicContact CG-CG1 4.46Å; M219-V294 HydrophobicContact CB-CB 4Å; M219-V294 HydrophobicContact CB-CG1 3.95Å; M219-V294 HydrophobicContact CB-CG2 4.26Å; M219-V294 HydrophobicContact CG-CB 4.43Å; M219-V294 HydrophobicContact CG-CG2 4.21Å; R223-V294 VanDerWaalsContact NH1-CA 3.31Å; R223-V294 PolarHBondContact NH1-O 2.96Å; R223-V294 PolarHBondContact NH2-O 2.97Å; M291-V294 HydrophobicContact CB-CG2 4.49Å; M291-V294 HydrophobicContact CE-CG2 3.73Å; M291-V294 CarbonylContact O-C 3.41Å; M291-V294 WeakPolarHBondContact O-CG2 3.23Å; M291-V294 PolarHBondContact O-N 3.35Å; M291-V294 HydrophobicContact SD-CG2 3.99Å; G292-V294 VanDerWaalsContact C-N 3.29Å; G292-V294 PolarHBondContact O-N 2.98Å |
| 295 | G | 79.3 | Confident | 90.2 | Very high | 61 Ų | 61 | 50.7 Ų | 50.7 | 63% | 0.629 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.8 | 15.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | M291 G292 R293 | M291-G295 PolarHBondContact O-N 3.37Å; G292-G295 WeakPolarHBondContact O-CA 3.3Å; G292-G295 PolarHBondContact O-N 3.49Å; R293-G295 VanDerWaalsContact C-N 3.26Å |
| 296 | T | 84.9 | Confident | 90.2 | Very high | 44 Ų | 44 | 48.8 Ų | 48.8 | 27% | 0.27 | 26% | 0.261 | S | S | . | . | trans | -139.6 | 92 | 179.3 | -56.6 | 0 | 0 | 0 | 0 | 110.3 | L254 L258 M291 G292 A298 | L254-T296 HydrophobicContact CD2-CG2 3.8Å; L254-T296 WeakPolarHBondContact CD2-OG1 3.49Å; L254-T296 HydrophobicContact CG-CG2 4.3Å; L258-T296 HydrophobicContact CD1-CG2 3.91Å; M291-T296 CarbonylContact C-O 3.59Å; M291-T296 WeakPolarHBondContact CB-O 3.28Å; M291-T296 CarbonylContact O-C 3.54Å; M291-T296 PolarHBondContact O-N 3.14Å; M291-T296 VanDerWaalsContact O-O 3.12Å; G292-T296 PolarHBondContact N-O 2.85Å; T296-A298 PolarHBondContact O-N 3.25Å | ||
| 297 | D | 88.6 | Confident | 90.2 | Very high | 55 Ų | 55 | 44.5 Ų | 44.5 | 29% | 0.294 | 25% | 0.246 | S | C | . | . | trans | -80.4 | 106.1 | 177.1 | -168.4 | -27.1 | 0 | 0 | 0 | 110.8 | R299 H300 | D297-R299 VanDerWaalsContact C-N 3.32Å; D297-R299 PolarHBondContact O-N 2.96Å; D297-R299 VanDerWaalsContact OD1-CB 3.25Å; D297-R299 WeakPolarHBondContact OD1-CB 3.27Å; D297-R299 WeakPolarHBondContact OD1-CG 3.32Å; D297-R299 IonicContact OD1-CZ 3.86Å; D297-R299 PolarHBondContact OD1-N 3.26Å; D297-R299 IonicContact OD1-NE 3.39Å; D297-R299 PolarHBondContact OD1-NE 3.46Å; D297-R299 IonicContact OD2-CZ 3.33Å; D297-R299 IonicContact OD2-NE 2.82Å; D297-R299 PolarHBondContact OD2-NE 3.46Å; D297-R299 IonicContact OD2-NH2 3.04Å; D297-R299 PolarHBondContact OD2-NH2 3.37Å; D297-H300 PolarHBondContact O-CE1 3.19Å; D297-H300 PolarHBondContact O-ND1 2.5Å | ||
| 298 | A | 90.1 | Very high | 90.3 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.008 | 27% | 0.266 | C | S | . | . | trans | -82.6 | -5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | L258 T296 H300 L301 L302 | L258-A298 HydrophobicContact CD2-CB 3.86Å; T296-A298 PolarHBondContact O-N 3.25Å; A298-H300 VanDerWaalsContact C-N 3.26Å; A298-H300 PolarHBondContact O-N 3.01Å; A298-H300 VanDerWaalsContact O-N 3.16Å; A298-L301 WeakPolarHBondContact O-CB 3.32Å; A298-L301 PolarHBondContact O-N 2.93Å; A298-L302 WeakPolarHBondContact O-CG 3.36Å; A298-L302 PolarHBondContact O-N 2.87Å | ||
| 299 | R | 93.3 | Very high | 90.3 | Very high | 108 Ų | 108 | 49.1 Ų | 49.1 | 41% | 0.408 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -56.4 | -39.4 | -170.6 | -70.2 | 178.8 | -70.7 | 170.1 | -0.5 | 113.1 | M285 D297 L301 L302 V303 | M285-R299 HydrophobicContact SD-CB 4.09Å; M285-R299 HydrophobicContact SD-CG 3.97Å; D297-R299 VanDerWaalsContact C-N 3.32Å; D297-R299 PolarHBondContact O-N 2.96Å; D297-R299 VanDerWaalsContact OD1-CB 3.25Å; D297-R299 WeakPolarHBondContact OD1-CB 3.27Å; D297-R299 WeakPolarHBondContact OD1-CG 3.32Å; D297-R299 IonicContact OD1-CZ 3.86Å; D297-R299 PolarHBondContact OD1-N 3.26Å; D297-R299 IonicContact OD1-NE 3.39Å; D297-R299 PolarHBondContact OD1-NE 3.46Å; D297-R299 IonicContact OD2-CZ 3.33Å; D297-R299 IonicContact OD2-NE 2.82Å; D297-R299 PolarHBondContact OD2-NE 3.46Å; D297-R299 IonicContact OD2-NH2 3.04Å; D297-R299 PolarHBondContact OD2-NH2 3.37Å; R299-L301 VanDerWaalsContact C-N 3.29Å; R299-L301 PolarHBondContact O-N 3.17Å; R299-L302 PolarHBondContact O-N 2.87Å; R299-L302 VanDerWaalsContact O-N 3.11Å; R299-V303 VanDerWaalsContact O-CG2 3.3Å; R299-V303 WeakPolarHBondContact O-CG2 3.24Å; R299-V303 PolarHBondContact O-N 2.91Å |
| 300 | H | 91.3 | Very high | 90.5 | Very high | 121 Ų | 121 | 47.3 Ų | 47.3 | 56% | 0.56 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -58.3 | -39.1 | 178.1 | 66.9 | -77.5 | 0 | 0 | 0 | 112.9 | D297 A298 C304 | D297-H300 PolarHBondContact O-CE1 3.19Å; D297-H300 PolarHBondContact O-ND1 2.5Å; A298-H300 VanDerWaalsContact C-N 3.26Å; A298-H300 PolarHBondContact O-N 3.01Å; A298-H300 VanDerWaalsContact O-N 3.16Å; H300-C304 PolarHBondContact O-SG 2.84Å |
| 301 | L | 92.7 | Very high | 90.8 | Very high | 72 Ų | 72 | 48.4 Ų | 48.4 | 38% | 0.377 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -68.5 | -40.5 | 176 | -58.4 | 175.2 | 0 | 0 | 0 | 111.2 | A298 R299 | A298-L301 WeakPolarHBondContact O-CB 3.32Å; A298-L301 PolarHBondContact O-N 2.93Å; R299-L301 VanDerWaalsContact C-N 3.29Å; R299-L301 PolarHBondContact O-N 3.17Å |
| 302 | L | 94.6 | Very high | 91.1 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -72.5 | -40.3 | -176.1 | -54.6 | -175.3 | 0 | 0 | 0 | 111.7 | F261 T262 L265 C284 M285 F287 A298 R299 C304 I305 F306 | F261-L302 HydrophobicContact CD1-CD2 3.92Å; F261-L302 HydrophobicContact CE1-CD1 4.06Å; F261-L302 HydrophobicContact CE1-CD2 3.56Å; F261-L302 HydrophobicContact CE1-CG 4.47Å; T262-L302 HydrophobicContact CG2-CD2 4.2Å; L265-L302 HydrophobicContact CD2-CD2 3.96Å; C284-L302 HydrophobicContact CB-CD1 4.03Å; C284-L302 WeakPolarHBondContact O-CD1 3.33Å; M285-L302 HydrophobicContact CE-CB 3.75Å; F287-L302 HydrophobicContact CD1-CD1 3.92Å; F287-L302 HydrophobicContact CE1-CD1 4.32Å; A298-L302 WeakPolarHBondContact O-CG 3.36Å; A298-L302 PolarHBondContact O-N 2.87Å; R299-L302 PolarHBondContact O-N 2.87Å; R299-L302 VanDerWaalsContact O-N 3.11Å; L302-C304 VanDerWaalsContact C-N 3.3Å; L302-C304 PolarHBondContact O-N 3.05Å; L302-I305 HydrophobicContact CD2-CD1 4.42Å; L302-I305 WeakPolarHBondContact O-CB 3.41Å; L302-I305 PolarHBondContact O-N 3.46Å; L302-I305 VanDerWaalsContact O-N 3.08Å; L302-F306 WeakPolarHBondContact O-CD2 3.49Å; L302-F306 PolarHBondContact O-N 3.22Å; L302-F306 VanDerWaalsContact O-N 3.14Å |
| 303 | V | 93 | Very high | 91.5 | Very high | 52 Ų | 52 | 52.7 Ų | 52.7 | 32% | 0.315 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -56.5 | -45.2 | 176.9 | 169.4 | 0 | 0 | 0 | 0 | 110.8 | M285 R299 I305 F306 E307 | M285-V303 HydrophobicContact CE-CG2 3.88Å; M285-V303 HydrophobicContact SD-CG2 3.92Å; R299-V303 VanDerWaalsContact O-CG2 3.3Å; R299-V303 WeakPolarHBondContact O-CG2 3.24Å; R299-V303 PolarHBondContact O-N 2.91Å; V303-I305 PolarHBondContact O-N 3.29Å; V303-F306 PolarHBondContact O-N 3.17Å; V303-E307 HydrophobicContact CG1-CG 4.14Å; V303-E307 WeakPolarHBondContact CG1-OE1 3.1Å; V303-E307 WeakPolarHBondContact O-CB 3.45Å; V303-E307 WeakPolarHBondContact O-CG 3.46Å; V303-E307 PolarHBondContact O-N 3.21Å |
| 304 | C | 93.5 | Very high | 91.9 | Very high | 76 Ų | 76 | 44.1 Ų | 44.1 | 51% | 0.514 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.2 | -35.2 | 177.7 | -64.3 | 0 | 0 | 0 | 0 | 113 | H300 L302 D308 | H300-C304 PolarHBondContact O-SG 2.84Å; L302-C304 VanDerWaalsContact C-N 3.3Å; L302-C304 PolarHBondContact O-N 3.05Å; C304-D308 WeakPolarHBondContact O-CB 3.3Å; C304-D308 PolarHBondContact O-N 2.89Å; C304-D308 VanDerWaalsContact O-N 3.08Å |
| 305 | I | 95.9 | Very high | 92.6 | Very high | 23 Ų | 23 | 48.2 Ų | 48.2 | 12% | 0.118 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -68.8 | -44.3 | 177.9 | -63.9 | 167.4 | 0 | 0 | 0 | 110.7 | T262 L265 L269 L302 V303 H309 | T262-I305 HydrophobicContact CG2-CD1 3.68Å; L265-I305 HydrophobicContact CD2-CD1 4.14Å; L265-I305 HydrophobicContact CD2-CG2 4.23Å; L265-I305 HydrophobicContact CG-CG2 4.23Å; L269-I305 HydrophobicContact CD1-CG2 3.77Å; L302-I305 HydrophobicContact CD2-CD1 4.42Å; L302-I305 WeakPolarHBondContact O-CB 3.41Å; L302-I305 PolarHBondContact O-N 3.46Å; L302-I305 VanDerWaalsContact O-N 3.08Å; V303-I305 PolarHBondContact O-N 3.29Å; I305-H309 VanDerWaalsContact O-CB 3.29Å; I305-H309 WeakPolarHBondContact O-CB 3.29Å; I305-H309 PolarHBondContact O-N 3.26Å |
| 306 | F | 95.3 | Very high | 93.4 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 0% | 0.004 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.2 | -40.9 | 177.1 | -74.2 | -75.7 | 0 | 0 | 0 | 112.1 | L265 L269 I280 M281 C284 M285 L302 V303 H309 I310 | L265-F306 HydrophobicContact CD1-CZ 4.24Å; L265-F306 HydrophobicContact CD2-CE2 4.21Å; L265-F306 HydrophobicContact CD2-CZ 4.41Å; L269-F306 HydrophobicContact CD1-CD1 4.15Å; L269-F306 HydrophobicContact CD1-CE1 3.99Å; L269-F306 HydrophobicContact CD1-CZ 4.46Å; L269-F306 HydrophobicContact CD2-CD1 4.41Å; L269-F306 HydrophobicContact CD2-CE1 3.75Å; L269-F306 HydrophobicContact CD2-CZ 4.47Å; I280-F306 HydrophobicContact CG2-CE1 3.99Å; I280-F306 HydrophobicContact CG2-CZ 3.87Å; M281-F306 HydrophobicContact CB-CD1 4.11Å; M281-F306 HydrophobicContact CB-CE1 3.9Å; M281-F306 HydrophobicContact CB-CE2 4.36Å; M281-F306 HydrophobicContact CB-CG 4.43Å; M281-F306 HydrophobicContact CB-CZ 4.06Å; M281-F306 HydrophobicContact CG-CD1 4.21Å; M281-F306 HydrophobicContact CG-CD2 3.98Å; M281-F306 HydrophobicContact CG-CE1 4.36Å; M281-F306 HydrophobicContact CG-CE2 4.17Å; M281-F306 HydrophobicContact CG-CG 4.04Å; M281-F306 HydrophobicContact CG-CZ 4.36Å; M281-F306 HydrophobicContact SD-CB 4.3Å; M281-F306 HydrophobicContact SD-CG 4.25Å; C284-F306 HydrophobicContact CB-CE2 3.79Å; C284-F306 HydrophobicContact CB-CZ 4.03Å; M285-F306 HydrophobicContact CE-CD2 4.39Å; M285-F306 HydrophobicContact CE-CE2 4.44Å; L302-F306 WeakPolarHBondContact O-CD2 3.49Å; L302-F306 PolarHBondContact O-N 3.22Å; L302-F306 VanDerWaalsContact O-N 3.14Å; V303-F306 PolarHBondContact O-N 3.17Å; F306-H309 PolarHBondContact O-N 2.85Å; F306-I310 HydrophobicContact CB-CD1 4.48Å; F306-I310 VanDerWaalsContact O-CB 3.3Å; F306-I310 WeakPolarHBondContact O-CB 3.25Å; F306-I310 WeakPolarHBondContact O-CG1 3.35Å; F306-I310 PolarHBondContact O-N 3.14Å |
| 307 | E | 94.2 | Very high | 93.9 | Very high | 48 Ų | 48 | 51.5 Ų | 51.5 | 22% | 0.224 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.6 | -50.9 | 176.2 | -77.5 | 178 | 175.9 | 0 | 0 | 111.6 | V303 H309 I310 L311 P390 S392 L393 | V303-E307 HydrophobicContact CG1-CG 4.14Å; V303-E307 WeakPolarHBondContact CG1-OE1 3.1Å; V303-E307 WeakPolarHBondContact O-CB 3.45Å; V303-E307 WeakPolarHBondContact O-CG 3.46Å; V303-E307 PolarHBondContact O-N 3.21Å; E307-H309 VanDerWaalsContact C-N 3.35Å; E307-H309 PolarHBondContact O-N 3.14Å; E307-I310 PolarHBondContact O-N 2.86Å; E307-L311 VanDerWaalsContact O-CB 3.24Å; E307-L311 WeakPolarHBondContact O-CB 3.48Å; E307-L311 PolarHBondContact O-N 3.09Å; E307-P390 HydrophobicContact CG-CB 4.01Å; E307-P390 HydrophobicContact CG-CG 3.84Å; E307-S392 VanDerWaalsContact CD-OG 3.28Å; E307-S392 VanDerWaalsContact OE1-CB 3.32Å; E307-S392 WeakPolarHBondContact OE1-CB 3.27Å; E307-S392 PolarHBondContact OE1-OG 3.44Å; E307-L393 HydrophobicContact CB-CD2 4.18Å; E307-L393 HydrophobicContact CG-CD2 4.35Å; E307-L393 HydrophobicContact CG-CG 4.4Å |
| 308 | D | 94.8 | Very high | 94.2 | Very high | 81 Ų | 81 | 49.8 Ų | 49.8 | 43% | 0.433 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -61.4 | -42.6 | 178 | 176.5 | 66.8 | 0 | 0 | 0 | 111.8 | C304 K312 | C304-D308 WeakPolarHBondContact O-CB 3.3Å; C304-D308 PolarHBondContact O-N 2.89Å; C304-D308 VanDerWaalsContact O-N 3.08Å; D308-K312 VanDerWaalsContact CG-NZ 3.26Å; D308-K312 WeakPolarHBondContact O-CB 3.16Å; D308-K312 VanDerWaalsContact O-CG 3.3Å; D308-K312 WeakPolarHBondContact O-CG 3.44Å; D308-K312 PolarHBondContact O-N 3.21Å; D308-K312 WeakPolarHBondContact OD1-CE 3.3Å; D308-K312 IonicContact OD1-NZ 3.66Å; D308-K312 PolarHBondContact OD1-NZ 2.66Å; D308-K312 VanDerWaalsContact OD1-NZ 3.09Å; D308-K312 WeakPolarHBondContact OD2-CE 3.45Å; D308-K312 IonicContact OD2-NZ 3.86Å; D308-K312 PolarHBondContact OD2-NZ 3.46Å |
| 309 | H | 95.5 | Very high | 94.6 | Very high | 15 Ų | 15 | 51.5 Ų | 51.5 | 7% | 0.069 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66 | -47.3 | 178.7 | -177.5 | 68.9 | 0 | 0 | 0 | 112.6 | L269 I305 F306 E307 K312 L313 | L269-H309 VanDerWaalsContact C-CE1 3.43Å; L269-H309 HydrophobicContact CD1-CB 4.38Å; L269-H309 PolarHBondContact O-CE1 3.39Å; L269-H309 PolarHBondContact O-NE2 3.43Å; I305-H309 VanDerWaalsContact O-CB 3.29Å; I305-H309 WeakPolarHBondContact O-CB 3.29Å; I305-H309 PolarHBondContact O-N 3.26Å; F306-H309 PolarHBondContact O-N 2.85Å; E307-H309 VanDerWaalsContact C-N 3.35Å; E307-H309 PolarHBondContact O-N 3.14Å; H309-K312 PolarHBondContact O-N 3.03Å; H309-L313 WeakPolarHBondContact NE2-CD1 3.29Å; H309-L313 WeakPolarHBondContact O-CG 3.43Å; H309-L313 PolarHBondContact O-N 2.86Å |
| 310 | I | 94.9 | Very high | 94.8 | Very high | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.5 | -43.1 | 179.5 | -69.7 | 167.8 | 0 | 0 | 0 | 110.1 | F306 E307 K312 L313 M314 L385 C388 V389 P390 L393 | F306-I310 HydrophobicContact CB-CD1 4.48Å; F306-I310 VanDerWaalsContact O-CB 3.3Å; F306-I310 WeakPolarHBondContact O-CB 3.25Å; F306-I310 WeakPolarHBondContact O-CG1 3.35Å; F306-I310 PolarHBondContact O-N 3.14Å; E307-I310 PolarHBondContact O-N 2.86Å; I310-K312 PolarHBondContact O-N 3.02Å; I310-L313 WeakPolarHBondContact O-CB 3.44Å; I310-L313 PolarHBondContact O-N 3.25Å; I310-M314 HydrophobicContact CG2-CG 4.39Å; I310-M314 HydrophobicContact CG2-SD 3.92Å; I310-M314 VanDerWaalsContact O-CG 3.28Å; I310-M314 WeakPolarHBondContact O-CG 3.28Å; I310-M314 PolarHBondContact O-N 3.28Å; I310-L385 HydrophobicContact CG2-CD2 4.3Å; I310-C388 WeakPolarHBondContact CD1-O 3.5Å; I310-V389 HydrophobicContact CG2-CG2 4.39Å; I310-P390 HydrophobicContact CD1-CG 4.37Å; I310-L393 HydrophobicContact CB-CD1 3.97Å; I310-L393 HydrophobicContact CG2-CD1 3.68Å |
| 311 | L | 93.9 | Very high | 95.1 | Very high | 32 Ų | 32 | 45 Ų | 45 | 17% | 0.168 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.9 | -47.2 | 176.9 | -177.1 | 62.1 | 0 | 0 | 0 | 111.2 | E307 L313 M314 E315 L393 F396 L400 | E307-L311 VanDerWaalsContact O-CB 3.24Å; E307-L311 WeakPolarHBondContact O-CB 3.48Å; E307-L311 PolarHBondContact O-N 3.09Å; L311-L313 VanDerWaalsContact C-N 3.34Å; L311-L313 PolarHBondContact O-N 3.43Å; L311-M314 WeakPolarHBondContact O-CB 3.11Å; L311-M314 PolarHBondContact O-N 2.89Å; L311-M314 VanDerWaalsContact O-N 3.14Å; L311-E315 WeakPolarHBondContact O-CG 3.24Å; L311-E315 PolarHBondContact O-N 2.95Å; L311-L393 HydrophobicContact CB-CD1 4.47Å; L311-L393 HydrophobicContact CB-CD2 4.4Å; L311-F396 HydrophobicContact CD1-CB 3.78Å; L311-L400 HydrophobicContact CD1-CD1 3.76Å |
| 312 | K | 95.1 | Very high | 95.2 | Very high | 90 Ų | 90 | 41.9 Ų | 41.9 | 39% | 0.391 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.7 | -40.6 | 175.9 | -75.2 | 169.3 | -179.3 | 164.6 | 0 | 112.8 | D308 H309 I310 M314 E315 Q316 | D308-K312 VanDerWaalsContact CG-NZ 3.26Å; D308-K312 WeakPolarHBondContact O-CB 3.16Å; D308-K312 VanDerWaalsContact O-CG 3.3Å; D308-K312 WeakPolarHBondContact O-CG 3.44Å; D308-K312 PolarHBondContact O-N 3.21Å; D308-K312 WeakPolarHBondContact OD1-CE 3.3Å; D308-K312 IonicContact OD1-NZ 3.66Å; D308-K312 PolarHBondContact OD1-NZ 2.66Å; D308-K312 VanDerWaalsContact OD1-NZ 3.09Å; D308-K312 WeakPolarHBondContact OD2-CE 3.45Å; D308-K312 IonicContact OD2-NZ 3.86Å; D308-K312 PolarHBondContact OD2-NZ 3.46Å; H309-K312 PolarHBondContact O-N 3.03Å; I310-K312 PolarHBondContact O-N 3.02Å; K312-M314 VanDerWaalsContact C-N 3.32Å; K312-M314 PolarHBondContact O-N 3.44Å; K312-E315 PolarHBondContact O-N 3.36Å; K312-Q316 WeakPolarHBondContact O-CB 3.44Å; K312-Q316 VanDerWaalsContact O-CG 3.22Å; K312-Q316 WeakPolarHBondContact O-CG 3.21Å; K312-Q316 PolarHBondContact O-N 3.3Å |
| 313 | L | 94.6 | Very high | 95.4 | Very high | 30 Ų | 30 | 44.1 Ų | 44.1 | 16% | 0.157 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.9 | -41.5 | 175 | -76.3 | 175.4 | 0 | 0 | 0 | 111.6 | V274 L277 H309 I310 L311 S317 | V274-L313 HydrophobicContact CG2-CD1 4.04Å; V274-L313 HydrophobicContact CG2-CD2 4.4Å; L277-L313 HydrophobicContact CD1-CD1 3.73Å; H309-L313 WeakPolarHBondContact NE2-CD1 3.29Å; H309-L313 WeakPolarHBondContact O-CG 3.43Å; H309-L313 PolarHBondContact O-N 2.86Å; I310-L313 WeakPolarHBondContact O-CB 3.44Å; I310-L313 PolarHBondContact O-N 3.25Å; L311-L313 VanDerWaalsContact C-N 3.34Å; L311-L313 PolarHBondContact O-N 3.43Å; L313-S317 WeakPolarHBondContact O-CB 3.34Å; L313-S317 PolarHBondContact O-N 3.17Å; L313-S317 PolarHBondContact O-OG 3.46Å |
| 314 | M | 93.2 | Very high | 95.5 | Very high | 8 Ų | 8 | 48.2 Ų | 48.2 | 4% | 0.039 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.5 | -47.6 | 177.1 | -69.5 | 177 | 77.9 | 0 | 0 | 111.5 | I310 L311 K312 Q316 S317 L318 L385 T397 L400 | I310-M314 HydrophobicContact CG2-CG 4.39Å; I310-M314 HydrophobicContact CG2-SD 3.92Å; I310-M314 VanDerWaalsContact O-CG 3.28Å; I310-M314 WeakPolarHBondContact O-CG 3.28Å; I310-M314 PolarHBondContact O-N 3.28Å; L311-M314 WeakPolarHBondContact O-CB 3.11Å; L311-M314 PolarHBondContact O-N 2.89Å; L311-M314 VanDerWaalsContact O-N 3.14Å; K312-M314 VanDerWaalsContact C-N 3.32Å; K312-M314 PolarHBondContact O-N 3.44Å; M314-Q316 PolarHBondContact O-N 3.46Å; M314-S317 PolarHBondContact O-N 3.42Å; M314-L318 WeakPolarHBondContact O-CB 3.44Å; M314-L318 PolarHBondContact O-N 3.23Å; M314-L385 HydrophobicContact CE-CD1 4.36Å; M314-L385 HydrophobicContact CG-CD1 3.21Å; M314-L385 HydrophobicContact SD-CD1 3.8Å; M314-T397 HydrophobicContact CE-CG2 3.25Å; M314-T397 WeakPolarHBondContact CE-OG1 3.4Å; M314-L400 HydrophobicContact CB-CD1 4.23Å |
| 315 | E | 96.1 | Very high | 95.7 | Very high | 92 Ų | 92 | 44.8 Ų | 44.8 | 43% | 0.43 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -55.5 | -49.9 | 175.9 | -74.8 | 179.5 | 165.4 | 0 | 0 | 111.9 | L311 K312 G319 L400 | L311-E315 WeakPolarHBondContact O-CG 3.24Å; L311-E315 PolarHBondContact O-N 2.95Å; K312-E315 PolarHBondContact O-N 3.36Å; E315-G319 WeakPolarHBondContact O-CA 3.2Å; E315-G319 PolarHBondContact O-N 2.82Å; E315-L400 HydrophobicContact CG-CD1 3.62Å; E315-L400 HydrophobicContact CG-CD2 3.65Å; E315-L400 HydrophobicContact CG-CG 4.29Å |
| 316 | Q | 95.8 | Very high | 95.7 | Very high | 127 Ų | 127 | 45.6 Ų | 45.6 | 59% | 0.593 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -67.2 | -44.2 | -179 | -70.5 | 173.4 | 7.3 | 0 | 0 | 112.2 | K312 M314 T320 | K312-Q316 WeakPolarHBondContact O-CB 3.44Å; K312-Q316 VanDerWaalsContact O-CG 3.22Å; K312-Q316 WeakPolarHBondContact O-CG 3.21Å; K312-Q316 PolarHBondContact O-N 3.3Å; M314-Q316 PolarHBondContact O-N 3.46Å; Q316-T320 WeakPolarHBondContact O-CB 3.41Å; Q316-T320 PolarHBondContact O-N 2.76Å; Q316-T320 PolarHBondContact O-OG1 3.49Å |
| 317 | S | 95.1 | Very high | 95.6 | Very high | 47 Ų | 47 | 50 Ų | 50 | 33% | 0.329 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -67.2 | -48.7 | -178.5 | -59.7 | 0 | 0 | 0 | 0 | 110.9 | L313 M314 T320 V321 | L313-S317 WeakPolarHBondContact O-CB 3.34Å; L313-S317 PolarHBondContact O-N 3.17Å; L313-S317 PolarHBondContact O-OG 3.46Å; M314-S317 PolarHBondContact O-N 3.42Å; S317-T320 PolarHBondContact O-N 2.89Å; S317-V321 WeakPolarHBondContact O-CG2 3.48Å; S317-V321 PolarHBondContact O-N 3.36Å |
| 318 | L | 95.9 | Very high | 95.5 | Very high | 19 Ų | 19 | 50.1 Ų | 50.1 | 10% | 0.099 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.9 | -38.8 | 178.8 | -171.5 | 64.9 | 0 | 0 | 0 | 111.3 | M314 T320 V321 T322 I378 L400 L401 | M314-L318 WeakPolarHBondContact O-CB 3.44Å; M314-L318 PolarHBondContact O-N 3.23Å; L318-T320 VanDerWaalsContact C-N 3.31Å; L318-T320 PolarHBondContact O-N 2.99Å; L318-V321 PolarHBondContact O-N 2.81Å; L318-T322 VanDerWaalsContact O-CB 3.32Å; L318-T322 WeakPolarHBondContact O-CB 3.45Å; L318-T322 PolarHBondContact O-N 3.42Å; L318-T322 PolarHBondContact O-OG1 3.43Å; L318-I378 HydrophobicContact CD1-CD1 3.93Å; L318-I378 HydrophobicContact CD1-CG1 3.8Å; L318-L400 VanDerWaalsContact CD2-C 3.47Å; L318-L400 HydrophobicContact CD2-CB 3.89Å; L318-L400 VanDerWaalsContact CD2-O 3.26Å; L318-L400 WeakPolarHBondContact CD2-O 3.32Å; L318-L401 HydrophobicContact CD1-CD1 4.49Å |
| 319 | G | 97.3 | Very high | 95.4 | Very high | 38 Ų | 38 | 46.3 Ų | 46.3 | 39% | 0.392 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -57.6 | -43.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E315 T322 A323 | E315-G319 WeakPolarHBondContact O-CA 3.2Å; E315-G319 PolarHBondContact O-N 2.82Å; G319-T322 PolarHBondContact O-N 3.47Å; G319-A323 WeakPolarHBondContact O-CB 3.21Å; G319-A323 PolarHBondContact O-N 3.22Å |
| 320 | T | 97.5 | Very high | 95.1 | Very high | 74 Ų | 74 | 52.9 Ų | 52.9 | 45% | 0.454 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.6 | -43.6 | 176.2 | -58.8 | 0 | 0 | 0 | 0 | 112.3 | Q316 S317 L318 K324 | Q316-T320 WeakPolarHBondContact O-CB 3.41Å; Q316-T320 PolarHBondContact O-N 2.76Å; Q316-T320 PolarHBondContact O-OG1 3.49Å; S317-T320 PolarHBondContact O-N 2.89Å; L318-T320 VanDerWaalsContact C-N 3.31Å; L318-T320 PolarHBondContact O-N 2.99Å; T320-K324 HydrophobicContact CG2-CD 4.5Å; T320-K324 WeakPolarHBondContact O-CG 3.42Å; T320-K324 PolarHBondContact O-N 3.13Å; T320-K324 VanDerWaalsContact O-N 3.16Å |
| 321 | V | 97.2 | Very high | 94.7 | Very high | 18 Ų | 18 | 55.3 Ų | 55.3 | 11% | 0.109 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.4 | -43 | 177.7 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | S317 L318 K324 L325 Y374 R377 I378 I381 | S317-V321 WeakPolarHBondContact O-CG2 3.48Å; S317-V321 PolarHBondContact O-N 3.36Å; L318-V321 PolarHBondContact O-N 2.81Å; V321-K324 PolarHBondContact O-N 2.88Å; V321-L325 PolarHBondContact O-N 3.4Å; V321-L325 VanDerWaalsContact O-N 3.14Å; V321-Y374 HydrophobicContact CG1-CD2 3.57Å; V321-Y374 HydrophobicContact CG1-CE2 3.99Å; V321-Y374 HydrophobicContact CG1-CG 4.38Å; V321-R377 HydrophobicContact CB-CB 4.37Å; V321-R377 HydrophobicContact CG1-CB 3.79Å; V321-R377 HydrophobicContact CG2-CB 3.57Å; V321-R377 HydrophobicContact CG2-CG 4.33Å; V321-I378 HydrophobicContact CG1-CG1 4.29Å; V321-I381 HydrophobicContact CG2-CD1 3.94Å |
| 322 | T | 96.8 | Very high | 94 | Very high | 7 Ų | 7 | 57.5 Ų | 57.5 | 4% | 0.043 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.7 | -50 | 177.3 | -51.1 | 0 | 0 | 0 | 0 | 110.5 | L318 G319 K324 L325 L326 S404 L407 | L318-T322 VanDerWaalsContact O-CB 3.32Å; L318-T322 WeakPolarHBondContact O-CB 3.45Å; L318-T322 PolarHBondContact O-N 3.42Å; L318-T322 PolarHBondContact O-OG1 3.43Å; G319-T322 PolarHBondContact O-N 3.47Å; T322-K324 VanDerWaalsContact C-N 3.33Å; T322-K324 PolarHBondContact O-N 3.37Å; T322-L325 WeakPolarHBondContact O-CB 3.38Å; T322-L325 PolarHBondContact O-N 3.47Å; T322-L325 VanDerWaalsContact O-N 3.08Å; T322-L326 HydrophobicContact CG2-CD1 4.09Å; T322-L326 HydrophobicContact CG2-CG 4.22Å; T322-L326 VanDerWaalsContact O-CG 3.3Å; T322-L326 WeakPolarHBondContact O-CG 3.11Å; T322-L326 PolarHBondContact O-N 2.83Å; T322-S404 WeakPolarHBondContact OG1-CB 3.36Å; T322-S404 PolarHBondContact OG1-OG 2.9Å; T322-L407 HydrophobicContact CG2-CB 4.25Å; T322-L407 HydrophobicContact CG2-CD1 4.14Å |
| 323 | A | 97.4 | Very high | 93.5 | Very high | 47 Ų | 47 | 59.8 Ų | 59.8 | 39% | 0.388 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -56.6 | -44.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | G319 L325 L326 D327 | G319-A323 WeakPolarHBondContact O-CB 3.21Å; G319-A323 PolarHBondContact O-N 3.22Å; A323-L325 VanDerWaalsContact C-N 3.33Å; A323-L325 PolarHBondContact O-N 2.76Å; A323-L326 PolarHBondContact O-N 2.98Å; A323-D327 PolarHBondContact O-N 3.34Å |
| 324 | K | 96.6 | Very high | 93 | Very high | 138 Ų | 138 | 58.7 Ų | 58.7 | 60% | 0.6 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -62.1 | -38.9 | 176.7 | -73.1 | 176.7 | -179.1 | 178 | 0 | 112.8 | T320 V321 T322 S328 | T320-K324 HydrophobicContact CG2-CD 4.5Å; T320-K324 WeakPolarHBondContact O-CG 3.42Å; T320-K324 PolarHBondContact O-N 3.13Å; T320-K324 VanDerWaalsContact O-N 3.16Å; V321-K324 PolarHBondContact O-N 2.88Å; T322-K324 VanDerWaalsContact C-N 3.33Å; T322-K324 PolarHBondContact O-N 3.37Å; K324-S328 PolarHBondContact O-N 3.39Å; K324-S328 VanDerWaalsContact O-N 3.09Å; K324-S328 PolarHBondContact O-OG 3.07Å |
| 325 | L | 95.7 | Very high | 92.8 | Very high | 5 Ų | 5 | 58.6 Ų | 58.6 | 3% | 0.026 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.4 | -50 | 174.3 | 177.2 | 69.8 | 0 | 0 | 0 | 110.7 | V321 T322 A323 D327 S328 L329 P370 Y374 M408 | V321-L325 PolarHBondContact O-N 3.4Å; V321-L325 VanDerWaalsContact O-N 3.14Å; T322-L325 WeakPolarHBondContact O-CB 3.38Å; T322-L325 PolarHBondContact O-N 3.47Å; T322-L325 VanDerWaalsContact O-N 3.08Å; A323-L325 VanDerWaalsContact C-N 3.33Å; A323-L325 PolarHBondContact O-N 2.76Å; L325-D327 VanDerWaalsContact C-N 3.26Å; L325-D327 PolarHBondContact O-N 2.92Å; L325-S328 CarbonylContact O-C 3.49Å; L325-S328 WeakPolarHBondContact O-CA 3.5Å; L325-S328 VanDerWaalsContact O-CB 3.32Å; L325-S328 WeakPolarHBondContact O-CB 3.41Å; L325-S328 PolarHBondContact O-N 3.44Å; L325-L329 HydrophobicContact CD1-CD1 4.46Å; L325-L329 HydrophobicContact CD1-CD2 4.5Å; L325-L329 HydrophobicContact CD1-CG 4.25Å; L325-L329 HydrophobicContact CD2-CD1 4.41Å; L325-L329 HydrophobicContact CG-CD1 4.05Å; L325-L329 HydrophobicContact CG-CG 4.22Å; L325-L329 WeakPolarHBondContact O-CG 3.28Å; L325-L329 PolarHBondContact O-N 3.21Å; L325-P370 HydrophobicContact CD1-CB 4Å; L325-Y374 HydrophobicContact CB-CD2 3.89Å; L325-Y374 HydrophobicContact CB-CG 4.48Å; L325-Y374 HydrophobicContact CD2-CD1 4.31Å; L325-Y374 HydrophobicContact CD2-CD2 3.54Å; L325-Y374 HydrophobicContact CD2-CE2 3.91Å; L325-Y374 HydrophobicContact CD2-CG 3.75Å; L325-Y374 HydrophobicContact CG-CD2 4.25Å; L325-Y374 HydrophobicContact CG-CG 4.5Å; L325-M408 HydrophobicContact CD2-CB 4.18Å; L325-M408 HydrophobicContact CD2-CE 3.16Å; L325-M408 HydrophobicContact CD2-CG 3.67Å; L325-M408 HydrophobicContact CD2-SD 3.93Å |
| 326 | L | 95.9 | Very high | 92.2 | Very high | 39 Ų | 39 | 62.1 Ų | 62.1 | 20% | 0.204 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -58.2 | -39.9 | -179.7 | -63.7 | 179.8 | 0 | 0 | 0 | 111.7 | T322 A323 S328 L329 K330 L407 | T322-L326 HydrophobicContact CG2-CD1 4.09Å; T322-L326 HydrophobicContact CG2-CG 4.22Å; T322-L326 VanDerWaalsContact O-CG 3.3Å; T322-L326 WeakPolarHBondContact O-CG 3.11Å; T322-L326 PolarHBondContact O-N 2.83Å; A323-L326 PolarHBondContact O-N 2.98Å; L326-S328 VanDerWaalsContact C-N 3.35Å; L326-L329 PolarHBondContact O-N 3.26Å; L326-K330 PolarHBondContact O-N 3.36Å; L326-L407 HydrophobicContact CD1-CB 4.29Å; L326-L407 HydrophobicContact CD2-CB 4.49Å; L326-L407 WeakPolarHBondContact CD2-O 3.17Å |
| 327 | D | 94.6 | Very high | 91.6 | Very high | 93 Ų | 93 | 61.8 Ų | 61.8 | 50% | 0.497 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.2 | -40.8 | 173.4 | -76.4 | -25 | 0 | 0 | 0 | 112.2 | A323 L325 L329 K330 | A323-D327 PolarHBondContact O-N 3.34Å; L325-D327 VanDerWaalsContact C-N 3.26Å; L325-D327 PolarHBondContact O-N 2.92Å; D327-L329 VanDerWaalsContact C-N 3.34Å; D327-L329 PolarHBondContact O-N 3.11Å; D327-K330 WeakPolarHBondContact O-CB 3.32Å; D327-K330 PolarHBondContact O-N 3.28Å; D327-K330 IonicContact OD1-NZ 2.82Å; D327-K330 PolarHBondContact OD1-NZ 3.14Å |
| 328 | S | 92.8 | Very high | 91 | Very high | 52 Ų | 52 | 61.2 Ų | 61.2 | 36% | 0.364 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63 | -41.1 | 175.5 | -56.2 | 0 | 0 | 0 | 0 | 111.5 | K324 L325 L326 K330 S331 A334 | K324-S328 PolarHBondContact O-N 3.39Å; K324-S328 VanDerWaalsContact O-N 3.09Å; K324-S328 PolarHBondContact O-OG 3.07Å; L325-S328 CarbonylContact O-C 3.49Å; L325-S328 WeakPolarHBondContact O-CA 3.5Å; L325-S328 VanDerWaalsContact O-CB 3.32Å; L325-S328 WeakPolarHBondContact O-CB 3.41Å; L325-S328 PolarHBondContact O-N 3.44Å; L326-S328 VanDerWaalsContact C-N 3.35Å; S328-K330 PolarHBondContact O-N 3.06Å; S328-S331 PolarHBondContact O-N 3.29Å; S328-A334 VanDerWaalsContact O-CB 3.31Å; S328-A334 WeakPolarHBondContact O-CB 3.47Å |
| 329 | L | 91.5 | Very high | 90 | Very high | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -68 | -12.1 | -179.7 | -66.6 | 179.1 | 0 | 0 | 0 | 114.3 | L325 L326 D327 S331 A334 F335 M408 L412 S415 F428 | L325-L329 HydrophobicContact CD1-CD1 4.46Å; L325-L329 HydrophobicContact CD1-CD2 4.5Å; L325-L329 HydrophobicContact CD1-CG 4.25Å; L325-L329 HydrophobicContact CD2-CD1 4.41Å; L325-L329 HydrophobicContact CG-CD1 4.05Å; L325-L329 HydrophobicContact CG-CG 4.22Å; L325-L329 WeakPolarHBondContact O-CG 3.28Å; L325-L329 PolarHBondContact O-N 3.21Å; L326-L329 PolarHBondContact O-N 3.26Å; D327-L329 VanDerWaalsContact C-N 3.34Å; D327-L329 PolarHBondContact O-N 3.11Å; L329-S331 VanDerWaalsContact C-N 3.28Å; L329-A334 HydrophobicContact CD2-CB 4.35Å; L329-F335 HydrophobicContact CB-CZ 4.39Å; L329-F335 HydrophobicContact CD2-CE1 3.77Å; L329-F335 HydrophobicContact CD2-CZ 3.92Å; L329-M408 HydrophobicContact CD1-CG 4.06Å; L329-L412 HydrophobicContact CD1-CD2 4.23Å; L329-L412 HydrophobicContact CD1-CG 4.47Å; L329-L412 HydrophobicContact CD2-CD2 4.12Å; L329-S415 PolarHBondContact O-OG 2.89Å; L329-F428 HydrophobicContact CD2-CE1 4.15Å; L329-F428 HydrophobicContact CD2-CE2 4.14Å; L329-F428 HydrophobicContact CD2-CZ 3.79Å |
| 330 | K | 88.9 | Confident | 88.5 | Confident | 154 Ų | 154 | 70.7 Ų | 70.7 | 67% | 0.67 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -24.8 | 170.6 | -66 | 169.7 | -174.8 | 164.9 | 0 | 112.2 | L326 D327 S328 | L326-K330 PolarHBondContact O-N 3.36Å; D327-K330 WeakPolarHBondContact O-CB 3.32Å; D327-K330 PolarHBondContact O-N 3.28Å; D327-K330 IonicContact OD1-NZ 2.82Å; D327-K330 PolarHBondContact OD1-NZ 3.14Å; S328-K330 PolarHBondContact O-N 3.06Å |
| 331 | S | 86.9 | Confident | 86.5 | Confident | 52 Ų | 52 | 71.4 Ų | 71.4 | 36% | 0.364 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -86.9 | 133.3 | 177.4 | -179.8 | 0 | 0 | 0 | 0 | 110.9 | S328 L329 E333 A334 | S328-S331 PolarHBondContact O-N 3.29Å; L329-S331 VanDerWaalsContact C-N 3.28Å; S331-E333 PolarHBondContact O-N 3.08Å; S331-E333 VanDerWaalsContact O-N 3.14Å; S331-E333 PolarHBondContact OG-N 2.92Å; S331-A334 WeakPolarHBondContact O-CB 3.43Å; S331-A334 PolarHBondContact O-N 3.32Å; S331-A334 VanDerWaalsContact O-N 3.1Å |
| 332 | T | 79.8 | Confident | 84.4 | Confident | 78 Ų | 78 | 75.3 Ų | 75.3 | 48% | 0.479 | 41% | 0.405 | S | S | . | . | G | 310 helix | trans | -60.6 | -22.5 | 173.2 | -41.5 | 0 | 0 | 0 | 0 | 112.3 | A334 F335 | T332-A334 PolarHBondContact O-N 3.07Å; T332-F335 PolarHBondContact O-N 2.87Å |
| 333 | E | 84.5 | Confident | 82.3 | Confident | 137 Ų | 137 | 78.8 Ų | 78.8 | 64% | 0.64 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -66.1 | -24.2 | 177.2 | -63.4 | -176.3 | 161.5 | 0 | 0 | 113 | S331 F335 R336 | S331-E333 PolarHBondContact O-N 3.08Å; S331-E333 VanDerWaalsContact O-N 3.14Å; S331-E333 PolarHBondContact OG-N 2.92Å; E333-F335 PolarHBondContact O-N 3.41Å; E333-F335 VanDerWaalsContact O-N 3.14Å; E333-R336 PolarHBondContact O-N 3.22Å |
| 334 | A | 84.5 | Confident | 80.3 | Confident | 7 Ų | 7 | 79.9 Ų | 79.9 | 6% | 0.058 | 44% | 0.435 | C | S | . | . | G | 310 helix | trans | -63.1 | -20.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S328 L329 S331 T332 P370 | S328-A334 VanDerWaalsContact O-CB 3.31Å; S328-A334 WeakPolarHBondContact O-CB 3.47Å; L329-A334 HydrophobicContact CD2-CB 4.35Å; S331-A334 WeakPolarHBondContact O-CB 3.43Å; S331-A334 PolarHBondContact O-N 3.32Å; S331-A334 VanDerWaalsContact O-N 3.1Å; T332-A334 PolarHBondContact O-N 3.07Å; A334-P370 HydrophobicContact CB-CG 4.03Å |
| 335 | F | 87.7 | Confident | 78.1 | Confident | 7 Ų | 7 | 77.6 Ų | 77.6 | 3% | 0.031 | 44% | 0.437 | C | S | . | . | G | 310 helix | trans | -101.7 | 3.6 | -177.6 | -51.1 | -67.3 | 0 | 0 | 0 | 113.4 | L329 T332 E333 Y368 L412 V425 F428 | L329-F335 HydrophobicContact CB-CZ 4.39Å; L329-F335 HydrophobicContact CD2-CE1 3.77Å; L329-F335 HydrophobicContact CD2-CZ 3.92Å; T332-F335 PolarHBondContact O-N 2.87Å; E333-F335 PolarHBondContact O-N 3.41Å; E333-F335 VanDerWaalsContact O-N 3.14Å; F335-Y368 WeakPolarHBondContact O-CE1 3.42Å; F335-L412 HydrophobicContact CE1-CD2 3.63Å; F335-L412 HydrophobicContact CZ-CD2 4.27Å; F335-V425 HydrophobicContact CB-CG2 4.39Å; F335-V425 HydrophobicContact CD1-CB 4.24Å; F335-V425 HydrophobicContact CD1-CG1 4.47Å; F335-V425 HydrophobicContact CD1-CG2 3.85Å; F335-V425 HydrophobicContact CD2-CG2 3.89Å; F335-V425 HydrophobicContact CE1-CB 4.43Å; F335-V425 HydrophobicContact CE1-CG1 4.19Å; F335-V425 HydrophobicContact CE1-CG2 4.07Å; F335-V425 HydrophobicContact CE2-CG2 4.11Å; F335-V425 HydrophobicContact CG-CG2 3.75Å; F335-V425 HydrophobicContact CZ-CG2 4.2Å; F335-F428 HydrophobicContact CD1-CB 4.16Å; F335-F428 HydrophobicContact CD1-CD2 4.27Å; F335-F428 HydrophobicContact CD1-CG 4.28Å; F335-F428 HydrophobicContact CE1-CG 4.45Å |
| 336 | R | 84.8 | Confident | 75.5 | Confident | 165 Ų | 165 | 84.4 Ų | 84.4 | 62% | 0.623 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -82.7 | 129.9 | 173.9 | -70.2 | -174.9 | 174.7 | 168.3 | 0.1 | 109.8 | E333 A338 | E333-R336 PolarHBondContact O-N 3.22Å; R336-A338 PolarHBondContact O-N 3.26Å |
| 337 | I | 82.8 | Confident | 73.1 | Confident | 121 Ų | 121 | 88 Ų | 88 | 62% | 0.621 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 123.1 | 176.4 | -64.1 | 170.3 | 0 | 0 | 0 | 108.7 | S367 Y368 | I337-S367 WeakPolarHBondContact CA-O 3.29Å; I337-Y368 HydrophobicContact CG1-CE1 4.19Å; I337-Y368 WeakPolarHBondContact CG1-OH 3.41Å |
| 338 | A | 82.7 | Confident | 70.5 | Confident | 35 Ų | 35 | 89.1 Ų | 89.1 | 29% | 0.289 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -79.8 | 134.7 | 168 | 0 | 0 | 0 | 0 | 0 | 109.6 | R336 V340 S367 P369 | R336-A338 PolarHBondContact O-N 3.26Å; A338-V340 PolarHBondContact O-N 2.78Å; A338-S367 PolarHBondContact N-O 2.95Å; A338-P369 HydrophobicContact CB-CG 3.94Å |
| 339 | E | 75.3 | Confident | 68.3 | Low | 196 Ų | 196 | 92 Ų | 92 | 92% | 0.916 | 52% | 0.52 | S | S | * | . | trans | -68.3 | 104 | 173 | -69.6 | -174.1 | 172.7 | 0 | 0 | 109.4 | S341 | E339-S341 PolarHBondContact O-N 2.91Š| ||
| 340 | V | 64.8 | Low | 65.8 | Low | 60 Ų | 60 | 101.7 Ų | 101.7 | 36% | 0.364 | 56% | 0.558 | S | S | . | * | trans | -77.8 | 108.1 | 172.6 | -175.1 | 0 | 0 | 0 | 0 | 107.1 | A338 S342 L366 | A338-V340 PolarHBondContact O-N 2.78Å; V340-S342 PolarHBondContact O-N 3.28Å; V340-L366 HydrophobicContact CG1-CB 4.22Å; V340-L366 HydrophobicContact CG1-CD1 4.19Å; V340-L366 HydrophobicContact CG2-CB 3.69Å | ||
| 341 | S | 56.5 | Low | 63.5 | Low | 89 Ų | 89 | 101.8 Ų | 101.8 | 62% | 0.622 | 57% | 0.565 | S | S | * | * | trans | -58.7 | 129 | 175.4 | -168.5 | 0 | 0 | 0 | 0 | 109.9 | E339 A343 | E339-S341 PolarHBondContact O-N 2.91Å; S341-A343 PolarHBondContact O-N 3.01Å | ||
| 342 | S | 53.1 | Low | 61.3 | Low | 100 Ų | 100 | 104.8 Ų | 104.8 | 70% | 0.699 | 58% | 0.577 | S | S | * | * | G | 310 helix | trans | -57.7 | -12.1 | -175.9 | -28.4 | 0 | 0 | 0 | 0 | 114.4 | V340 V344 S345 | V340-S342 PolarHBondContact O-N 3.28Å; S342-V344 PolarHBondContact O-N 3.37Å; S342-V344 VanDerWaalsContact O-N 3.1Å; S342-S345 WeakPolarHBondContact O-CB 3.38Å; S342-S345 PolarHBondContact O-N 3.08Å; S342-S345 VanDerWaalsContact O-N 3.17Å; S342-S345 PolarHBondContact O-OG 3.18Å |
| 343 | A | 52.1 | Low | 59.4 | Low | 80 Ų | 80 | 107.5 Ų | 107.5 | 66% | 0.661 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -61.9 | -13.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | S341 S345 | S341-A343 PolarHBondContact O-N 3.01Å; A343-S345 VanDerWaalsContact C-N 3.27Å; A343-S345 PolarHBondContact O-N 2.85Å |
| 344 | V | 54.2 | Low | 57.4 | Low | 69 Ų | 69 | 109.6 Ų | 109.6 | 42% | 0.418 | 60% | 0.6 | S | S | . | * | G | 310 helix | trans | -77.7 | -14.1 | 177.4 | -168.5 | 0 | 0 | 0 | 0 | 112.3 | S342 D346 | S342-V344 PolarHBondContact O-N 3.37Å; S342-V344 VanDerWaalsContact O-N 3.1Å; V344-D346 VanDerWaalsContact C-N 3.33Å; V344-D346 PolarHBondContact O-N 3.16Å |
| 345 | S | 50.1 | Low | 55.2 | Low | 90 Ų | 90 | 115.7 Ų | 115.7 | 63% | 0.629 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -75.1 | -18.7 | -174.6 | -39.9 | 0 | 0 | 0 | 0 | 114 | S342 A343 | S342-S345 WeakPolarHBondContact O-CB 3.38Å; S342-S345 PolarHBondContact O-N 3.08Å; S342-S345 VanDerWaalsContact O-N 3.17Å; S342-S345 PolarHBondContact O-OG 3.18Å; A343-S345 VanDerWaalsContact C-N 3.27Å; A343-S345 PolarHBondContact O-N 2.85Å |
| 346 | D | 41.9 | Very low | 53.1 | Low | 148 Ų | 148 | 117.4 Ų | 117.4 | 79% | 0.791 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -101.2 | 24 | -170.3 | -82.7 | -16.8 | 0 | 0 | 0 | 114.7 | V344 D348 | V344-D346 VanDerWaalsContact C-N 3.33Å; V344-D346 PolarHBondContact O-N 3.16Å; D346-D348 PolarHBondContact O-N 3.12Å |
| 347 | V | 45.8 | Very low | 51.5 | Low | 116 Ų | 116 | 114.9 Ų | 114.9 | 70% | 0.703 | 67% | 0.667 | S | S | * | * | trans | -76.8 | 96.2 | 172.2 | -170.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 348 | D | 39.7 | Very low | 50.3 | Low | 116 Ų | 116 | 112.4 Ų | 112.4 | 62% | 0.62 | 66% | 0.66 | S | S | * | * | trans | -18.4 | 128.5 | 176 | -96.9 | -40.4 | 0 | 0 | 0 | 117.2 | D346 Y350 | D346-D348 PolarHBondContact O-N 3.12Å; D348-Y350 PolarHBondContact O-N 2.9Å; D348-Y350 VanDerWaalsContact O-N 3.08Å | ||
| 349 | P | 46.3 | Very low | 49.8 | Very low | 112 Ų | 112 | 113.6 Ų | 113.6 | 73% | 0.727 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -64.9 | -3.9 | 170.2 | -18.4 | 30.5 | 0 | 0 | 0 | 115.3 | ||
| 350 | Y | 39.6 | Very low | 50.1 | Low | 204 Ų | 204 | 112 Ų | 112 | 80% | 0.8 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -87.1 | -1.3 | -168.4 | -102.2 | -87 | 0 | 0 | 0 | 116.2 | D348 | D348-Y350 PolarHBondContact O-N 2.9Å; D348-Y350 VanDerWaalsContact O-N 3.08Å |
| 351 | L | 41.2 | Very low | 51 | Low | 155 Ų | 155 | 111.3 Ų | 111.3 | 81% | 0.812 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -93.7 | 14.8 | 177.6 | -73.2 | 171.7 | 0 | 0 | 0 | 114.5 | V353 | L351-V353 PolarHBondContact O-N 3.16Š|
| 352 | D | 39.6 | Very low | 52.4 | Low | 116 Ų | 116 | 108.7 Ų | 108.7 | 62% | 0.62 | 63% | 0.633 | S | S | * | * | trans | -82.1 | 42.6 | -177.7 | -141.4 | 23.7 | 0 | 0 | 0 | 113.6 | K354 | D352-K354 VanDerWaalsContact C-N 3.34Š| ||
| 353 | V | 40.5 | Very low | 54 | Low | 134 Ų | 134 | 108.6 Ų | 108.6 | 81% | 0.812 | 62% | 0.623 | S | S | * | * | trans | -91 | 4.5 | 175.2 | -173.6 | 0 | 0 | 0 | 0 | 112.1 | L351 | L351-V353 PolarHBondContact O-N 3.16Š| ||
| 354 | K | 41.4 | Very low | 55.7 | Low | 182 Ų | 182 | 107.1 Ų | 107.1 | 79% | 0.791 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -106.7 | 95.3 | 171 | -68.5 | -170.8 | 179.7 | -177.9 | 0 | 109.6 | D352 G356 | D352-K354 VanDerWaalsContact C-N 3.34Å; K354-G356 PolarHBondContact O-N 3.24Å |
| 355 | S | 38.3 | Very low | 57.3 | Low | 134 Ų | 134 | 104 Ų | 104 | 94% | 0.937 | 59% | 0.592 | S | S | * | * | trans | -63.1 | 63.5 | 178.8 | 56.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 356 | G | 44.4 | Very low | 59.2 | Low | 43 Ų | 43 | 103.2 Ų | 103.2 | 44% | 0.443 | 58% | 0.581 | S | S | . | * | S | Bend | trans | -129.2 | 157.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | K354 S358 | K354-G356 PolarHBondContact O-N 3.24Å; G356-S358 PolarHBondContact O-N 3.38Å |
| 357 | P | 50.6 | Low | 61.4 | Low | 113 Ų | 113 | 97.4 Ų | 97.4 | 73% | 0.734 | 55% | 0.552 | S | S | * | * | trans | -61.9 | 97.7 | 175.3 | 26.1 | -32.1 | 0 | 0 | 0 | 108.9 | I359 | P357-I359 VanDerWaalsContact C-N 3.32Å; P357-I359 PolarHBondContact O-N 3.48Å | ||
| 358 | S | 58.3 | Low | 63.6 | Low | 68 Ų | 68 | 92.2 Ų | 92.2 | 48% | 0.476 | 52% | 0.519 | S | S | . | . | trans | -75.5 | 86.9 | -178.6 | 60.6 | 0 | 0 | 0 | 0 | 109.3 | G356 K360 | G356-S358 PolarHBondContact O-N 3.38Å; S358-K360 PolarHBondContact O-N 3.48Å | ||
| 359 | I | 73.1 | Confident | 66 | Low | 61 Ų | 61 | 89.5 Ų | 89.5 | 31% | 0.313 | 51% | 0.508 | S | S | . | . | trans | -67.8 | 98.9 | 170.8 | -67.1 | -177.9 | 0 | 0 | 0 | 107.6 | P357 F439 K442 V446 | P357-I359 VanDerWaalsContact C-N 3.32Å; P357-I359 PolarHBondContact O-N 3.48Å; I359-F439 HydrophobicContact CG2-CD2 3.95Å; I359-F439 HydrophobicContact CG2-CE2 3.25Å; I359-F439 HydrophobicContact CG2-CZ 3.86Å; I359-K442 HydrophobicContact CD1-CB 4.07Å; I359-K442 WeakPolarHBondContact CD1-O 3.36Å; I359-V446 HydrophobicContact CD1-CB 4.02Å; I359-V446 HydrophobicContact CD1-CG2 3.27Å; I359-V446 HydrophobicContact CG1-CG2 4.34Å | ||
| 360 | K | 80.9 | Confident | 68.2 | Low | 162 Ų | 162 | 85.2 Ų | 85.2 | 70% | 0.704 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -86.8 | 131.5 | 176.6 | -66.2 | -176 | -178.6 | -179.1 | 0 | 110.2 | S358 F439 | S358-K360 PolarHBondContact O-N 3.48Å; K360-F439 WeakPolarHBondContact O-CE2 3.26Å |
| 361 | A | 83.2 | Confident | 70.8 | Confident | 46 Ų | 46 | 75.5 Ų | 75.5 | 38% | 0.38 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 141.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | I363 F439 | A361-I363 PolarHBondContact O-N 3.36Å; A361-F439 VanDerWaalsContact CA-CE2 3.48Å; A361-F439 HydrophobicContact CB-CE2 4.33Å; A361-F439 HydrophobicContact CB-CZ 4.09Å |
| 362 | P | 86.6 | Confident | 73.2 | Confident | 33 Ų | 33 | 68.4 Ų | 68.4 | 21% | 0.214 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 120.6 | -178 | -12.6 | 26.2 | 0 | 0 | 0 | 110.9 | A364 L365 F439 | P362-A364 PolarHBondContact O-N 3.48Å; P362-A364 VanDerWaalsContact O-N 3.16Å; P362-L365 HydrophobicContact CB-CG 4.16Å; P362-L365 HydrophobicContact CG-CD1 4.19Å; P362-L365 HydrophobicContact CG-CG 4.31Å; P362-L365 WeakPolarHBondContact O-CB 3.47Å; P362-L365 WeakPolarHBondContact O-CG 3.36Å; P362-L365 PolarHBondContact O-N 3.33Å; P362-F439 HydrophobicContact CG-CB 3.84Å; P362-F439 HydrophobicContact CG-CD2 4.07Å; P362-F439 HydrophobicContact CG-CG 3.98Å |
| 363 | I | 86.2 | Confident | 75.8 | Confident | 98 Ų | 98 | 67.7 Ų | 67.7 | 50% | 0.503 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -59.2 | -30.3 | -179.7 | -57.4 | 171.9 | 0 | 0 | 0 | 111.1 | A361 L365 L366 | A361-I363 PolarHBondContact O-N 3.36Å; I363-L365 PolarHBondContact O-N 3.45Å; I363-L365 VanDerWaalsContact O-N 3.14Å; I363-L366 HydrophobicContact CG2-CD1 4.11Å; I363-L366 VanDerWaalsContact O-CB 3.31Å; I363-L366 WeakPolarHBondContact O-CB 3.3Å; I363-L366 WeakPolarHBondContact O-CG 3.48Å; I363-L366 PolarHBondContact O-N 3.04Å |
| 364 | A | 87.9 | Confident | 78.4 | Confident | 49 Ų | 49 | 61.5 Ų | 61.5 | 41% | 0.405 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -57.1 | -27.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | P362 L366 S367 L431 | P362-A364 PolarHBondContact O-N 3.48Å; P362-A364 VanDerWaalsContact O-N 3.16Å; A364-L366 PolarHBondContact O-N 3.49Å; A364-S367 PolarHBondContact O-N 3.14Å; A364-S367 PolarHBondContact O-OG 3.44Å; A364-L431 HydrophobicContact CB-CD1 3.61Å; A364-L431 WeakPolarHBondContact O-CD2 3.44Å |
| 365 | L | 88.3 | Confident | 81 | Confident | 5 Ų | 5 | 52.8 Ų | 52.8 | 3% | 0.026 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -61.3 | -25.1 | 176.3 | -59.6 | -175.5 | 0 | 0 | 0 | 113 | P362 I363 S367 Y368 L371 A372 C375 L431 L436 | P362-L365 HydrophobicContact CB-CG 4.16Å; P362-L365 HydrophobicContact CG-CD1 4.19Å; P362-L365 HydrophobicContact CG-CG 4.31Å; P362-L365 WeakPolarHBondContact O-CB 3.47Å; P362-L365 WeakPolarHBondContact O-CG 3.36Å; P362-L365 PolarHBondContact O-N 3.33Å; I363-L365 PolarHBondContact O-N 3.45Å; I363-L365 VanDerWaalsContact O-N 3.14Å; L365-S367 PolarHBondContact O-N 2.88Å; L365-Y368 CarbonylContact O-C 3.47Å; L365-Y368 PolarHBondContact O-N 3.44Å; L365-Y368 VanDerWaalsContact O-N 3.13Å; L365-Y368 VanDerWaalsContact O-O 3.12Å; L365-L371 HydrophobicContact CD2-CD2 3.7Å; L365-L371 HydrophobicContact CD2-CG 4.11Å; L365-A372 HydrophobicContact CB-CB 4.34Å; L365-C375 HydrophobicContact CD1-CB 3.77Å; L365-L431 HydrophobicContact CD2-CD1 4.26Å; L365-L431 HydrophobicContact CD2-CD2 4.08Å; L365-L431 HydrophobicContact CD2-CG 3.81Å; L365-L436 HydrophobicContact CD1-CD1 4.13Å; L365-L436 HydrophobicContact CD2-CB 4.25Å |
| 366 | L | 88.9 | Confident | 83.6 | Confident | 73 Ų | 73 | 50.1 Ų | 50.1 | 38% | 0.382 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -66.2 | -19.7 | -179.4 | -63.6 | 176.4 | 0 | 0 | 0 | 113.4 | V340 I363 A364 Y368 A372 | V340-L366 HydrophobicContact CG1-CB 4.22Å; V340-L366 HydrophobicContact CG1-CD1 4.19Å; V340-L366 HydrophobicContact CG2-CB 3.69Å; I363-L366 HydrophobicContact CG2-CD1 4.11Å; I363-L366 VanDerWaalsContact O-CB 3.31Å; I363-L366 WeakPolarHBondContact O-CB 3.3Å; I363-L366 WeakPolarHBondContact O-CG 3.48Å; I363-L366 PolarHBondContact O-N 3.04Å; A364-L366 PolarHBondContact O-N 3.49Å; L366-Y368 PolarHBondContact O-N 3.27Å; L366-A372 HydrophobicContact CD2-CB 4.28Å |
| 367 | S | 88.9 | Confident | 86.1 | Confident | 26 Ų | 26 | 53.7 Ų | 53.7 | 18% | 0.182 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -65.8 | -20.5 | 175.1 | 68.2 | 0 | 0 | 0 | 0 | 112.4 | I337 A338 A364 L365 | I337-S367 WeakPolarHBondContact CA-O 3.29Å; A338-S367 PolarHBondContact N-O 2.95Å; A364-S367 PolarHBondContact O-N 3.14Å; A364-S367 PolarHBondContact O-OG 3.44Å; L365-S367 PolarHBondContact O-N 2.88Å |
| 368 | Y | 90.9 | Very high | 88.2 | Confident | 7 Ų | 7 | 48.4 Ų | 48.4 | 3% | 0.027 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -128.1 | 91.5 | 176.8 | -64.6 | -79.7 | 0 | 0 | 0 | 110.3 | F335 I337 L365 L366 P370 L371 A372 A427 F428 L431 | F335-Y368 WeakPolarHBondContact O-CE1 3.42Å; I337-Y368 HydrophobicContact CG1-CE1 4.19Å; I337-Y368 WeakPolarHBondContact CG1-OH 3.41Å; L365-Y368 CarbonylContact O-C 3.47Å; L365-Y368 PolarHBondContact O-N 3.44Å; L365-Y368 VanDerWaalsContact O-N 3.13Å; L365-Y368 VanDerWaalsContact O-O 3.12Å; L366-Y368 PolarHBondContact O-N 3.27Å; Y368-P370 VanDerWaalsContact C-CD 3.41Å; Y368-P370 VanDerWaalsContact C-N 3.34Å; Y368-P370 VanDerWaalsContact O-N 3.16Å; Y368-L371 WeakPolarHBondContact O-CB 3.06Å; Y368-L371 PolarHBondContact O-N 3.45Å; Y368-A372 PolarHBondContact O-N 3.45Å; Y368-A372 VanDerWaalsContact O-N 3.12Å; Y368-A427 WeakPolarHBondContact OH-CB 3.37Å; Y368-F428 HydrophobicContact CD1-CB 4.45Å; Y368-F428 AromaticContact CD1-CD2 3.6Å; Y368-F428 HydrophobicContact CD1-CD2 3.6Å; Y368-F428 HydrophobicContact CD1-CE2 4.39Å; Y368-F428 HydrophobicContact CD1-CG 4.49Å; Y368-F428 HydrophobicContact CD2-CD2 4.38Å; Y368-F428 HydrophobicContact CE1-CB 4.31Å; Y368-F428 HydrophobicContact CE1-CD2 4.26Å; Y368-F428 AromaticContact CG-CD2 3.65Å; Y368-F428 HydrophobicContact CG-CD2 3.65Å; Y368-F428 HydrophobicContact CG-CE2 4.25Å; Y368-L431 HydrophobicContact CD2-CD2 3.54Å; Y368-L431 HydrophobicContact CE2-CD2 4.13Å |
| 369 | P | 90.9 | Very high | 89.8 | Confident | 58 Ų | 58 | 47.7 Ų | 47.7 | 38% | 0.377 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -51.2 | -40.7 | -175.2 | -26.9 | 33.4 | 0 | 0 | 0 | 115.4 | A338 L371 A372 I373 | A338-P369 HydrophobicContact CB-CG 3.94Å; P369-L371 VanDerWaalsContact C-N 3.27Å; P369-L371 PolarHBondContact O-N 2.78Å; P369-A372 PolarHBondContact O-N 2.98Å; P369-I373 WeakPolarHBondContact O-CB 3.43Å; P369-I373 VanDerWaalsContact O-CG1 3.24Å; P369-I373 WeakPolarHBondContact O-CG1 3.45Å; P369-I373 PolarHBondContact O-N 2.83Å |
| 370 | P | 93.1 | Very high | 90.7 | Very high | 22 Ų | 22 | 48.4 Ų | 48.4 | 14% | 0.143 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.1 | -37.6 | 176.3 | -24.8 | 35.5 | 0 | 0 | 0 | 113.2 | L325 A334 Y368 Y374 | L325-P370 HydrophobicContact CD1-CB 4Å; A334-P370 HydrophobicContact CB-CG 4.03Å; Y368-P370 VanDerWaalsContact C-CD 3.41Å; Y368-P370 VanDerWaalsContact C-N 3.34Å; Y368-P370 VanDerWaalsContact O-N 3.16Å; P370-Y374 WeakPolarHBondContact O-CB 3.07Å; P370-Y374 PolarHBondContact O-N 2.84Å |
| 371 | L | 92.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -72.1 | -42.5 | 179 | -168.4 | 62.1 | 0 | 0 | 0 | 111.7 | L365 Y368 P369 I373 Y374 C375 M408 F428 L431 V432 L436 | L365-L371 HydrophobicContact CD2-CD2 3.7Å; L365-L371 HydrophobicContact CD2-CG 4.11Å; Y368-L371 WeakPolarHBondContact O-CB 3.06Å; Y368-L371 PolarHBondContact O-N 3.45Å; P369-L371 VanDerWaalsContact C-N 3.27Å; P369-L371 PolarHBondContact O-N 2.78Å; L371-I373 VanDerWaalsContact C-N 3.35Å; L371-Y374 PolarHBondContact O-N 2.82Å; L371-C375 WeakPolarHBondContact O-CB 3.15Å; L371-C375 PolarHBondContact O-N 2.94Å; L371-M408 HydrophobicContact CD1-CE 4.16Å; L371-M408 HydrophobicContact CD1-SD 4.19Å; L371-F428 HydrophobicContact CB-CE2 3.8Å; L371-F428 HydrophobicContact CB-CZ 3.68Å; L371-F428 HydrophobicContact CD1-CE1 3.94Å; L371-F428 HydrophobicContact CD1-CZ 3.79Å; L371-F428 HydrophobicContact CD2-CE1 4.41Å; L371-F428 HydrophobicContact CD2-CZ 4.3Å; L371-F428 HydrophobicContact CG-CZ 4.14Å; L371-L431 HydrophobicContact CD2-CB 4.31Å; L371-L431 HydrophobicContact CD2-CD2 3.83Å; L371-L431 HydrophobicContact CD2-CG 3.99Å; L371-V432 HydrophobicContact CD1-CG2 3.79Å; L371-V432 HydrophobicContact CD2-CG2 4.06Å; L371-L436 HydrophobicContact CD1-CD2 3.56Å; L371-L436 HydrophobicContact CG-CD2 4.46Å |
| 372 | A | 92.9 | Very high | 91.8 | Very high | 7 Ų | 7 | 40.4 Ų | 40.4 | 6% | 0.058 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.7 | -44.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L365 L366 Y368 P369 C375 N376 | L365-A372 HydrophobicContact CB-CB 4.34Å; L366-A372 HydrophobicContact CD2-CB 4.28Å; Y368-A372 PolarHBondContact O-N 3.45Å; Y368-A372 VanDerWaalsContact O-N 3.12Å; P369-A372 PolarHBondContact O-N 2.98Å; A372-C375 PolarHBondContact O-N 3.26Å; A372-N376 WeakPolarHBondContact O-CB 3.47Å; A372-N376 VanDerWaalsContact O-CG 3.24Å; A372-N376 PolarHBondContact O-N 2.97Å; A372-N376 PolarHBondContact O-ND2 3.32Å |
| 373 | I | 93.8 | Very high | 91.9 | Very high | 100 Ų | 100 | 44 Ų | 44 | 51% | 0.513 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.3 | -48 | 176.4 | -67.1 | 164.8 | 0 | 0 | 0 | 110.1 | P369 L371 C375 N376 R377 | P369-I373 WeakPolarHBondContact O-CB 3.43Å; P369-I373 VanDerWaalsContact O-CG1 3.24Å; P369-I373 WeakPolarHBondContact O-CG1 3.45Å; P369-I373 PolarHBondContact O-N 2.83Å; L371-I373 VanDerWaalsContact C-N 3.35Å; I373-C375 PolarHBondContact O-N 3.11Å; I373-N376 PolarHBondContact O-N 2.75Å; I373-R377 HydrophobicContact CG2-CG 4.26Å; I373-R377 VanDerWaalsContact O-CG 3.27Å; I373-R377 WeakPolarHBondContact O-CG 3.02Å; I373-R377 PolarHBondContact O-N 3.46Å |
| 374 | Y | 95.8 | Very high | 92 | Very high | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.016 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -55.7 | -49.6 | 177.1 | 171.7 | -95.2 | 0 | 0 | 0 | 112 | V321 L325 P370 L371 R377 I378 S404 L405 M408 L436 | V321-Y374 HydrophobicContact CG1-CD2 3.57Å; V321-Y374 HydrophobicContact CG1-CE2 3.99Å; V321-Y374 HydrophobicContact CG1-CG 4.38Å; L325-Y374 HydrophobicContact CB-CD2 3.89Å; L325-Y374 HydrophobicContact CB-CG 4.48Å; L325-Y374 HydrophobicContact CD2-CD1 4.31Å; L325-Y374 HydrophobicContact CD2-CD2 3.54Å; L325-Y374 HydrophobicContact CD2-CE2 3.91Å; L325-Y374 HydrophobicContact CD2-CG 3.75Å; L325-Y374 HydrophobicContact CG-CD2 4.25Å; L325-Y374 HydrophobicContact CG-CG 4.5Å; P370-Y374 WeakPolarHBondContact O-CB 3.07Å; P370-Y374 PolarHBondContact O-N 2.84Å; L371-Y374 PolarHBondContact O-N 2.82Å; Y374-R377 PolarHBondContact O-N 3.4Å; Y374-I378 HydrophobicContact CD1-CD1 3.96Å; Y374-I378 HydrophobicContact CD2-CD1 4.4Å; Y374-I378 HydrophobicContact CE1-CD1 3.32Å; Y374-I378 HydrophobicContact CE2-CD1 3.85Å; Y374-I378 HydrophobicContact CG-CD1 4.46Å; Y374-I378 PolarHBondContact O-N 3.13Å; Y374-I378 VanDerWaalsContact O-N 3.09Å; Y374-I378 WeakPolarHBondContact OH-CD1 3.15Å; Y374-S404 PolarHBondContact OH-OG 3.23Å; Y374-L405 HydrophobicContact CE1-CD2 4.18Å; Y374-M408 HydrophobicContact CD1-CE 3.57Å; Y374-M408 HydrophobicContact CD2-CE 4.38Å; Y374-M408 HydrophobicContact CE1-CE 3.24Å; Y374-M408 HydrophobicContact CE2-CE 4.1Å; Y374-M408 HydrophobicContact CG-CE 4.13Å; Y374-L436 HydrophobicContact CD1-CD2 3.94Å; Y374-L436 HydrophobicContact CE1-CD2 3.81Å |
| 375 | C | 94.8 | Very high | 92 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.9 | -51.4 | 177.6 | -173 | 0 | 0 | 0 | 0 | 111.6 | L365 L371 A372 I373 R377 I378 I379 L436 | L365-C375 HydrophobicContact CD1-CB 3.77Å; L371-C375 WeakPolarHBondContact O-CB 3.15Å; L371-C375 PolarHBondContact O-N 2.94Å; A372-C375 PolarHBondContact O-N 3.26Å; I373-C375 PolarHBondContact O-N 3.11Å; C375-R377 VanDerWaalsContact C-N 3.29Å; C375-R377 PolarHBondContact O-N 3.33Å; C375-I378 PolarHBondContact O-N 3.41Å; C375-I378 VanDerWaalsContact O-N 3.08Å; C375-I379 WeakPolarHBondContact O-CG1 3.44Å; C375-I379 PolarHBondContact O-N 3.47Å; C375-L436 HydrophobicContact CB-CD1 3.63Å; C375-L436 VanDerWaalsContact SG-CD1 3.6Å |
| 376 | N | 94.2 | Very high | 92 | Very high | 77 Ų | 77 | 48.2 Ų | 48.2 | 41% | 0.412 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.7 | -38.5 | -179.5 | -72.1 | -14.6 | 0 | 0 | 0 | 112.2 | A372 I373 I378 I379 E380 | A372-N376 WeakPolarHBondContact O-CB 3.47Å; A372-N376 VanDerWaalsContact O-CG 3.24Å; A372-N376 PolarHBondContact O-N 2.97Å; A372-N376 PolarHBondContact O-ND2 3.32Å; I373-N376 PolarHBondContact O-N 2.75Å; N376-I378 VanDerWaalsContact C-N 3.34Å; N376-I378 PolarHBondContact O-N 3.35Å; N376-I379 PolarHBondContact O-N 2.88Å; N376-E380 WeakPolarHBondContact O-CG 3.48Å; N376-E380 PolarHBondContact O-N 3.46Å |
| 377 | R | 95.8 | Very high | 92 | Very high | 119 Ų | 119 | 47.5 Ų | 47.5 | 45% | 0.449 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -67.9 | -32.9 | 176.5 | -66.5 | -55.9 | -176.8 | -176.3 | -4.4 | 112.9 | V321 I373 Y374 C375 E380 I381 | V321-R377 HydrophobicContact CB-CB 4.37Å; V321-R377 HydrophobicContact CG1-CB 3.79Å; V321-R377 HydrophobicContact CG2-CB 3.57Å; V321-R377 HydrophobicContact CG2-CG 4.33Å; I373-R377 HydrophobicContact CG2-CG 4.26Å; I373-R377 VanDerWaalsContact O-CG 3.27Å; I373-R377 WeakPolarHBondContact O-CG 3.02Å; I373-R377 PolarHBondContact O-N 3.46Å; Y374-R377 PolarHBondContact O-N 3.4Å; C375-R377 VanDerWaalsContact C-N 3.29Å; C375-R377 PolarHBondContact O-N 3.33Å; R377-E380 WeakPolarHBondContact CD-OE2 3.26Å; R377-E380 IonicContact CZ-OE1 3.09Å; R377-E380 IonicContact CZ-OE2 3.86Å; R377-E380 IonicContact NE-OE2 3.72Å; R377-E380 VanDerWaalsContact NH1-CD 3.32Å; R377-E380 IonicContact NH1-OE1 2.69Å; R377-E380 PolarHBondContact NH1-OE1 3.14Å; R377-E380 VanDerWaalsContact NH1-OE1 3.09Å; R377-E380 IonicContact NH1-OE2 2.81Å; R377-E380 PolarHBondContact NH1-OE2 3Å; R377-E380 PolarHBondContact O-N 2.91Å; R377-I381 VanDerWaalsContact O-CG1 3.31Å; R377-I381 WeakPolarHBondContact O-CG1 3.3Å; R377-I381 PolarHBondContact O-N 3.43Å; R377-I381 VanDerWaalsContact O-N 3.1Å |
| 378 | I | 94.5 | Very high | 92 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.9 | -42.8 | 172.2 | -68.9 | 174.6 | 0 | 0 | 0 | 110.7 | L318 V321 Y374 C375 N376 E380 I381 F382 L401 L440 | L318-I378 HydrophobicContact CD1-CD1 3.93Å; L318-I378 HydrophobicContact CD1-CG1 3.8Å; V321-I378 HydrophobicContact CG1-CG1 4.29Å; Y374-I378 HydrophobicContact CD1-CD1 3.96Å; Y374-I378 HydrophobicContact CD2-CD1 4.4Å; Y374-I378 HydrophobicContact CE1-CD1 3.32Å; Y374-I378 HydrophobicContact CE2-CD1 3.85Å; Y374-I378 HydrophobicContact CG-CD1 4.46Å; Y374-I378 PolarHBondContact O-N 3.13Å; Y374-I378 VanDerWaalsContact O-N 3.09Å; Y374-I378 WeakPolarHBondContact OH-CD1 3.15Å; C375-I378 PolarHBondContact O-N 3.41Å; C375-I378 VanDerWaalsContact O-N 3.08Å; N376-I378 VanDerWaalsContact C-N 3.34Å; N376-I378 PolarHBondContact O-N 3.35Å; I378-E380 VanDerWaalsContact C-N 3.29Å; I378-E380 PolarHBondContact O-N 3.24Å; I378-I381 WeakPolarHBondContact O-CB 3.49Å; I378-I381 PolarHBondContact O-N 3.38Å; I378-I381 VanDerWaalsContact O-N 3.1Å; I378-F382 HydrophobicContact CG2-CD1 4.48Å; I378-F382 HydrophobicContact CG2-CD2 3.96Å; I378-F382 HydrophobicContact CG2-CE1 4.08Å; I378-F382 HydrophobicContact CG2-CE2 3.53Å; I378-F382 HydrophobicContact CG2-CG 4.43Å; I378-F382 HydrophobicContact CG2-CZ 3.6Å; I378-F382 WeakPolarHBondContact O-CG 3.44Å; I378-F382 PolarHBondContact O-N 2.8Å; I378-L401 HydrophobicContact CD1-CD1 3.83Å; I378-L401 HydrophobicContact CG2-CD1 4.39Å; I378-L440 HydrophobicContact CB-CD2 4.35Å; I378-L440 HydrophobicContact CD1-CD1 4.36Å; I378-L440 HydrophobicContact CG2-CD2 3.79Å |
| 379 | I | 92.5 | Very high | 92 | Very high | 53 Ų | 53 | 47 Ų | 47 | 27% | 0.272 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -57.9 | -44.8 | 174.1 | -61.4 | 167.7 | 0 | 0 | 0 | 110.1 | C375 N376 I381 F382 D383 F439 | C375-I379 WeakPolarHBondContact O-CG1 3.44Å; C375-I379 PolarHBondContact O-N 3.47Å; N376-I379 PolarHBondContact O-N 2.88Å; I379-I381 VanDerWaalsContact C-N 3.29Å; I379-I381 PolarHBondContact O-N 3.18Å; I379-F382 PolarHBondContact O-N 3.22Å; I379-D383 VanDerWaalsContact O-CB 3.26Å; I379-D383 WeakPolarHBondContact O-CB 3.17Å; I379-D383 PolarHBondContact O-N 2.95Å; I379-F439 HydrophobicContact CD1-CE1 3.61Å; I379-F439 HydrophobicContact CD1-CZ 3.72Å; I379-F439 HydrophobicContact CG1-CE1 3.93Å; I379-F439 HydrophobicContact CG1-CZ 4.29Å |
| 380 | E | 92.6 | Very high | 91.9 | Very high | 76 Ų | 76 | 45.3 Ų | 45.3 | 36% | 0.355 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.4 | -36.9 | 176 | -73.9 | 172.5 | -161.1 | 0 | 0 | 112.7 | N376 R377 I378 K384 | N376-E380 WeakPolarHBondContact O-CG 3.48Å; N376-E380 PolarHBondContact O-N 3.46Å; R377-E380 WeakPolarHBondContact CD-OE2 3.26Å; R377-E380 IonicContact CZ-OE1 3.09Å; R377-E380 IonicContact CZ-OE2 3.86Å; R377-E380 IonicContact NE-OE2 3.72Å; R377-E380 VanDerWaalsContact NH1-CD 3.32Å; R377-E380 IonicContact NH1-OE1 2.69Å; R377-E380 PolarHBondContact NH1-OE1 3.14Å; R377-E380 VanDerWaalsContact NH1-OE1 3.09Å; R377-E380 IonicContact NH1-OE2 2.81Å; R377-E380 PolarHBondContact NH1-OE2 3Å; R377-E380 PolarHBondContact O-N 2.91Å; I378-E380 VanDerWaalsContact C-N 3.29Å; I378-E380 PolarHBondContact O-N 3.24Å; E380-K384 WeakPolarHBondContact O-CB 3.45Å; E380-K384 VanDerWaalsContact O-CG 3.27Å; E380-K384 WeakPolarHBondContact O-CG 3.37Å; E380-K384 PolarHBondContact O-N 3.1Å |
| 381 | I | 93.1 | Very high | 91.6 | Very high | 20 Ų | 20 | 46.4 Ų | 46.4 | 10% | 0.103 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.6 | -49 | 175.4 | -67.6 | 164.4 | 0 | 0 | 0 | 110 | V321 R377 I378 I379 K384 L385 | V321-I381 HydrophobicContact CG2-CD1 3.94Å; R377-I381 VanDerWaalsContact O-CG1 3.31Å; R377-I381 WeakPolarHBondContact O-CG1 3.3Å; R377-I381 PolarHBondContact O-N 3.43Å; R377-I381 VanDerWaalsContact O-N 3.1Å; I378-I381 WeakPolarHBondContact O-CB 3.49Å; I378-I381 PolarHBondContact O-N 3.38Å; I378-I381 VanDerWaalsContact O-N 3.1Å; I379-I381 VanDerWaalsContact C-N 3.29Å; I379-I381 PolarHBondContact O-N 3.18Å; I381-K384 PolarHBondContact O-N 3.1Å; I381-L385 HydrophobicContact CG2-CD1 4.01Å; I381-L385 WeakPolarHBondContact O-CG 3.22Å; I381-L385 PolarHBondContact O-N 3.48Å |
| 382 | F | 92.3 | Very high | 91.3 | Very high | 20 Ų | 20 | 49.3 Ų | 49.3 | 9% | 0.088 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.9 | -42.5 | -179.7 | -66.9 | -13.5 | 0 | 0 | 0 | 111.9 | I378 I379 K384 L385 H386 T397 L401 C443 L444 L447 | I378-F382 HydrophobicContact CG2-CD1 4.48Å; I378-F382 HydrophobicContact CG2-CD2 3.96Å; I378-F382 HydrophobicContact CG2-CE1 4.08Å; I378-F382 HydrophobicContact CG2-CE2 3.53Å; I378-F382 HydrophobicContact CG2-CG 4.43Å; I378-F382 HydrophobicContact CG2-CZ 3.6Å; I378-F382 WeakPolarHBondContact O-CG 3.44Å; I378-F382 PolarHBondContact O-N 2.8Å; I379-F382 PolarHBondContact O-N 3.22Å; F382-K384 VanDerWaalsContact C-N 3.34Å; F382-K384 PolarHBondContact O-N 3.46Å; F382-L385 PolarHBondContact O-N 2.79Å; F382-L385 VanDerWaalsContact O-N 3.16Å; F382-H386 WeakPolarHBondContact O-CB 3.4Å; F382-H386 PolarHBondContact O-N 2.91Å; F382-T397 HydrophobicContact CE1-CG2 4.18Å; F382-L401 HydrophobicContact CZ-CD2 4.43Å; F382-C443 HydrophobicContact CD2-CB 3.9Å; F382-C443 HydrophobicContact CE2-CB 4Å; F382-L444 HydrophobicContact CE2-CD2 4.21Å; F382-L444 HydrophobicContact CZ-CD2 3.85Å; F382-L447 HydrophobicContact CB-CD2 4.41Å; F382-L447 HydrophobicContact CD1-CD2 3.89Å; F382-L447 HydrophobicContact CE1-CD2 4.29Å; F382-L447 HydrophobicContact CG-CD2 4.09Å |
| 383 | D | 89.2 | Confident | 91.2 | Very high | 110 Ų | 110 | 49.2 Ų | 49.2 | 59% | 0.588 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -61.4 | -41.2 | 178.2 | -172.3 | 61.8 | 0 | 0 | 0 | 111.7 | I379 L385 H386 | I379-D383 VanDerWaalsContact O-CB 3.26Å; I379-D383 WeakPolarHBondContact O-CB 3.17Å; I379-D383 PolarHBondContact O-N 2.95Å; D383-L385 VanDerWaalsContact C-N 3.28Å; D383-L385 PolarHBondContact O-N 3.35Å; D383-H386 PolarHBondContact O-ND1 2.73Å |
| 384 | K | 89.2 | Confident | 90.8 | Very high | 117 Ų | 117 | 44.6 Ų | 44.6 | 51% | 0.509 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -66.1 | -28.3 | 176 | -76.4 | 177.2 | -178.5 | -178.6 | 0 | 114.1 | V274 E380 I381 F382 | V274-K384 HydrophobicContact CG1-CB 4.12Å; E380-K384 WeakPolarHBondContact O-CB 3.45Å; E380-K384 VanDerWaalsContact O-CG 3.27Å; E380-K384 WeakPolarHBondContact O-CG 3.37Å; E380-K384 PolarHBondContact O-N 3.1Å; I381-K384 PolarHBondContact O-N 3.1Å; F382-K384 VanDerWaalsContact C-N 3.34Å; F382-K384 PolarHBondContact O-N 3.46Å |
| 385 | L | 88.4 | Confident | 90.3 | Very high | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.026 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -102.7 | -12.6 | -173.9 | -65.9 | 175.4 | 0 | 0 | 0 | 113.5 | V274 I310 M314 I381 F382 D383 S387 C388 V389 | V274-L385 HydrophobicContact CG1-CD2 3.69Å; I310-L385 HydrophobicContact CG2-CD2 4.3Å; M314-L385 HydrophobicContact CE-CD1 4.36Å; M314-L385 HydrophobicContact CG-CD1 3.21Å; M314-L385 HydrophobicContact SD-CD1 3.8Å; I381-L385 HydrophobicContact CG2-CD1 4.01Å; I381-L385 WeakPolarHBondContact O-CG 3.22Å; I381-L385 PolarHBondContact O-N 3.48Å; F382-L385 PolarHBondContact O-N 2.79Å; F382-L385 VanDerWaalsContact O-N 3.16Å; D383-L385 VanDerWaalsContact C-N 3.28Å; D383-L385 PolarHBondContact O-N 3.35Å; L385-S387 PolarHBondContact O-N 3.14Å; L385-S387 VanDerWaalsContact O-N 3.08Å; L385-C388 PolarHBondContact O-N 3.41Å; L385-V389 WeakPolarHBondContact O-CB 3.18Å; L385-V389 PolarHBondContact O-N 3.18Å |
| 386 | H | 88.3 | Confident | 89.9 | Confident | 117 Ų | 117 | 53.7 Ų | 53.7 | 54% | 0.542 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -31.8 | -170.7 | 85.9 | -82.6 | 0 | 0 | 0 | 113.6 | F382 D383 C388 L447 | F382-H386 WeakPolarHBondContact O-CB 3.4Å; F382-H386 PolarHBondContact O-N 2.91Å; D383-H386 PolarHBondContact O-ND1 2.73Å; H386-C388 VanDerWaalsContact C-N 3.34Å; H386-L447 HydrophobicContact CB-CD1 3.81Å |
| 387 | S | 87.1 | Confident | 89.6 | Confident | 58 Ų | 58 | 50.1 Ų | 50.1 | 41% | 0.406 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -17.9 | -177.9 | 56 | 0 | 0 | 0 | 0 | 113.4 | L385 | L385-S387 PolarHBondContact O-N 3.14Å; L385-S387 VanDerWaalsContact O-N 3.08Å |
| 388 | C | 90.3 | Very high | 89.1 | Confident | 4 Ų | 4 | 45 Ų | 45 | 3% | 0.027 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -129.2 | -6.6 | -171.9 | 66.4 | 0 | 0 | 0 | 0 | 115 | L277 D278 M281 I310 L385 H386 P390 | L277-C388 HydrophobicContact CB-CB 4.43Å; D278-C388 HydrophobicContact CB-CB 3.99Å; M281-C388 HydrophobicContact CE-CB 4.05Å; M281-C388 WeakPolarHBondContact CE-O 3.39Å; I310-C388 WeakPolarHBondContact CD1-O 3.5Å; L385-C388 PolarHBondContact O-N 3.41Å; H386-C388 VanDerWaalsContact C-N 3.34Å; C388-P390 WeakPolarHBondContact O-CD 3.42Å |
| 389 | V | 90.4 | Very high | 88.8 | Confident | 19 Ų | 19 | 49.6 Ų | 49.6 | 12% | 0.115 | 26% | 0.258 | C | S | . | . | trans | -69.1 | 120.9 | -176.7 | 68.9 | 0 | 0 | 0 | 0 | 112 | I310 L385 L393 L447 F448 | I310-V389 HydrophobicContact CG2-CG2 4.39Å; L385-V389 WeakPolarHBondContact O-CB 3.18Å; L385-V389 PolarHBondContact O-N 3.18Å; V389-L393 HydrophobicContact CG2-CB 4.3Å; V389-L393 HydrophobicContact CG2-CD1 4.43Å; V389-L447 HydrophobicContact CG1-CD1 3.68Å; V389-L447 HydrophobicContact CG1-CG 3.93Å; V389-F448 HydrophobicContact CB-CE1 4.45Å; V389-F448 HydrophobicContact CG1-CE1 3.87Å; V389-F448 HydrophobicContact CG1-CZ 4.18Å; V389-F448 HydrophobicContact CG2-CE1 3.75Å; V389-F448 HydrophobicContact CG2-CZ 3.68Å | ||
| 390 | P | 89.5 | Confident | 88.7 | Confident | 23 Ų | 23 | 48.8 Ų | 48.8 | 15% | 0.149 | 25% | 0.254 | C | S | . | . | trans | -68.3 | 142.1 | 175.3 | -23.9 | 37.6 | 0 | 0 | 0 | 111.9 | E307 I310 C388 S392 L393 | E307-P390 HydrophobicContact CG-CB 4.01Å; E307-P390 HydrophobicContact CG-CG 3.84Å; I310-P390 HydrophobicContact CD1-CG 4.37Å; C388-P390 WeakPolarHBondContact O-CD 3.42Å; P390-S392 WeakPolarHBondContact CB-OG 3.48Å; P390-S392 PolarHBondContact O-N 2.97Å; P390-L393 HydrophobicContact CB-CG 4.48Å; P390-L393 WeakPolarHBondContact O-CB 3.44Å; P390-L393 PolarHBondContact O-N 3.22Å | ||
| 391 | V | 86.7 | Confident | 88.6 | Confident | 45 Ų | 45 | 45.5 Ų | 45.5 | 27% | 0.273 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -61.1 | -28.3 | 179.2 | 176.8 | 0 | 0 | 0 | 0 | 112.3 | L393 A394 N452 L453 | V391-L393 PolarHBondContact O-N 3.2Å; V391-A394 VanDerWaalsContact O-CB 3.27Å; V391-A394 WeakPolarHBondContact O-CB 3.49Å; V391-A394 PolarHBondContact O-N 3.43Å; V391-A394 VanDerWaalsContact O-N 3.14Å; V391-N452 HydrophobicContact CG2-CB 4.42Å; V391-L453 HydrophobicContact CG1-CD2 3.59Å; V391-L453 HydrophobicContact CG1-CG 4.35Å |
| 392 | S | 86.7 | Confident | 88.3 | Confident | 60 Ų | 60 | 46 Ų | 46 | 42% | 0.42 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -58.3 | -25.6 | 172.7 | 43.9 | 0 | 0 | 0 | 0 | 113.4 | E307 P390 A394 | E307-S392 VanDerWaalsContact CD-OG 3.28Å; E307-S392 VanDerWaalsContact OE1-CB 3.32Å; E307-S392 WeakPolarHBondContact OE1-CB 3.27Å; E307-S392 PolarHBondContact OE1-OG 3.44Å; P390-S392 WeakPolarHBondContact CB-OG 3.48Å; P390-S392 PolarHBondContact O-N 2.97Å; S392-A394 VanDerWaalsContact C-N 3.31Å; S392-A394 PolarHBondContact O-N 2.91Å |
| 393 | L | 89.3 | Confident | 88.2 | Confident | 5 Ų | 5 | 48.3 Ų | 48.3 | 3% | 0.026 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -84.2 | 0.2 | 178.1 | -62.2 | -171.9 | 0 | 0 | 0 | 114 | E307 I310 L311 V389 P390 V391 L395 F396 T397 | E307-L393 HydrophobicContact CB-CD2 4.18Å; E307-L393 HydrophobicContact CG-CD2 4.35Å; E307-L393 HydrophobicContact CG-CG 4.4Å; I310-L393 HydrophobicContact CB-CD1 3.97Å; I310-L393 HydrophobicContact CG2-CD1 3.68Å; L311-L393 HydrophobicContact CB-CD1 4.47Å; L311-L393 HydrophobicContact CB-CD2 4.4Å; V389-L393 HydrophobicContact CG2-CB 4.3Å; V389-L393 HydrophobicContact CG2-CD1 4.43Å; P390-L393 HydrophobicContact CB-CG 4.48Å; P390-L393 WeakPolarHBondContact O-CB 3.44Å; P390-L393 PolarHBondContact O-N 3.22Å; V391-L393 PolarHBondContact O-N 3.2Å; L393-L395 PolarHBondContact O-N 2.82Å; L393-F396 HydrophobicContact CD2-CD2 4.27Å; L393-F396 PolarHBondContact O-N 3.42Å; L393-T397 VanDerWaalsContact O-CB 3.32Å; L393-T397 WeakPolarHBondContact O-CB 3.31Å; L393-T397 PolarHBondContact O-N 2.98Å; L393-T397 PolarHBondContact O-OG1 2.62Å |
| 394 | A | 86.4 | Confident | 88.4 | Confident | 3 Ų | 3 | 43.2 Ų | 43.2 | 3% | 0.025 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58 | -47.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | V391 S392 T397 A398 F448 L453 W470 | V391-A394 VanDerWaalsContact O-CB 3.27Å; V391-A394 WeakPolarHBondContact O-CB 3.49Å; V391-A394 PolarHBondContact O-N 3.43Å; V391-A394 VanDerWaalsContact O-N 3.14Å; S392-A394 VanDerWaalsContact C-N 3.31Å; S392-A394 PolarHBondContact O-N 2.91Å; A394-T397 PolarHBondContact O-N 2.82Å; A394-A398 PolarHBondContact O-N 2.7Å; A394-A398 VanDerWaalsContact O-N 3.07Å; A394-F448 HydrophobicContact CB-CB 4.03Å; A394-F448 HydrophobicContact CB-CD1 3.65Å; A394-F448 HydrophobicContact CB-CD2 3.88Å; A394-F448 HydrophobicContact CB-CE1 4Å; A394-F448 HydrophobicContact CB-CE2 4.22Å; A394-F448 HydrophobicContact CB-CG 3.57Å; A394-F448 HydrophobicContact CB-CZ 4.27Å; A394-L453 HydrophobicContact CB-CD2 3.6Å; A394-W470 HydrophobicContact CB-CH2 4.29Å |
| 395 | L | 84.6 | Confident | 88.5 | Confident | 98 Ų | 98 | 37.9 Ų | 37.9 | 51% | 0.513 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -64.1 | -49.1 | 178.9 | -179.6 | 64.3 | 0 | 0 | 0 | 111.2 | L393 T397 A398 E399 | L393-L395 PolarHBondContact O-N 2.82Å; L395-T397 VanDerWaalsContact C-N 3.3Å; L395-T397 PolarHBondContact O-N 2.8Å; L395-A398 WeakPolarHBondContact O-CB 3.44Å; L395-A398 PolarHBondContact O-N 2.65Å; L395-A398 VanDerWaalsContact O-N 3.13Å; L395-E399 HydrophobicContact CD1-CG 4.43Å; L395-E399 HydrophobicContact CG-CG 4.47Å; L395-E399 WeakPolarHBondContact O-CG 3.37Å; L395-E399 PolarHBondContact O-N 3.26Å |
| 396 | F | 86.7 | Confident | 88.5 | Confident | 98 Ų | 98 | 39.5 Ų | 39.5 | 43% | 0.43 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61 | -40.2 | 179.6 | -62.5 | -75.6 | 0 | 0 | 0 | 112 | L311 L393 A398 E399 L400 | L311-F396 HydrophobicContact CD1-CB 3.78Å; L393-F396 HydrophobicContact CD2-CD2 4.27Å; L393-F396 PolarHBondContact O-N 3.42Å; F396-A398 VanDerWaalsContact C-N 3.33Å; F396-A398 PolarHBondContact O-N 3.44Å; F396-E399 PolarHBondContact O-N 3.02Å; F396-L400 WeakPolarHBondContact O-CB 3.47Å; F396-L400 VanDerWaalsContact O-CG 3.26Å; F396-L400 WeakPolarHBondContact O-CG 3.49Å; F396-L400 PolarHBondContact O-N 3.3Å |
| 397 | T | 87.9 | Confident | 88.7 | Confident | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.012 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.5 | -44.7 | 175.1 | -59.2 | 0 | 0 | 0 | 0 | 111.4 | M314 F382 L393 A394 L395 L400 L401 L444 L447 F448 | M314-T397 HydrophobicContact CE-CG2 3.25Å; M314-T397 WeakPolarHBondContact CE-OG1 3.4Å; F382-T397 HydrophobicContact CE1-CG2 4.18Å; L393-T397 VanDerWaalsContact O-CB 3.32Å; L393-T397 WeakPolarHBondContact O-CB 3.31Å; L393-T397 PolarHBondContact O-N 2.98Å; L393-T397 PolarHBondContact O-OG1 2.62Å; A394-T397 PolarHBondContact O-N 2.82Å; L395-T397 VanDerWaalsContact C-N 3.3Å; L395-T397 PolarHBondContact O-N 2.8Å; T397-L400 PolarHBondContact O-N 3.19Å; T397-L401 WeakPolarHBondContact O-CB 3.42Å; T397-L401 PolarHBondContact O-N 2.94Å; T397-L444 HydrophobicContact CG2-CD2 3.76Å; T397-L447 HydrophobicContact CG2-CD2 4.44Å; T397-F448 HydrophobicContact CG2-CE2 3.79Å; T397-F448 HydrophobicContact CG2-CZ 4.3Å |
| 398 | A | 86.2 | Confident | 88.9 | Confident | 11 Ų | 11 | 35.5 Ų | 35.5 | 9% | 0.091 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.6 | -40.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A394 L395 F396 L401 D402 L444 W470 | A394-A398 PolarHBondContact O-N 2.7Å; A394-A398 VanDerWaalsContact O-N 3.07Å; L395-A398 WeakPolarHBondContact O-CB 3.44Å; L395-A398 PolarHBondContact O-N 2.65Å; L395-A398 VanDerWaalsContact O-N 3.13Å; F396-A398 VanDerWaalsContact C-N 3.33Å; F396-A398 PolarHBondContact O-N 3.44Å; A398-L401 PolarHBondContact O-N 3.49Å; A398-D402 WeakPolarHBondContact O-CB 3.24Å; A398-D402 PolarHBondContact O-N 2.8Å; A398-L444 HydrophobicContact CB-CD1 4.23Å; A398-W470 HydrophobicContact CB-CD2 4.02Å; A398-W470 HydrophobicContact CB-CE3 3.2Å; A398-W470 HydrophobicContact CB-CZ3 3.58Å |
| 399 | E | 87.5 | Confident | 88.8 | Confident | 98 Ų | 98 | 35.5 Ų | 35.5 | 46% | 0.458 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -63.6 | -39.7 | 176.1 | -73.3 | 176.3 | 171.8 | 0 | 0 | 112.4 | L395 F396 L401 D402 S403 | L395-E399 HydrophobicContact CD1-CG 4.43Å; L395-E399 HydrophobicContact CG-CG 4.47Å; L395-E399 WeakPolarHBondContact O-CG 3.37Å; L395-E399 PolarHBondContact O-N 3.26Å; F396-E399 PolarHBondContact O-N 3.02Å; E399-L401 VanDerWaalsContact C-N 3.35Å; E399-D402 PolarHBondContact O-N 3.35Å; E399-S403 VanDerWaalsContact O-CB 3.3Å; E399-S403 WeakPolarHBondContact O-CB 3.32Å; E399-S403 PolarHBondContact O-N 2.89Å; E399-S403 PolarHBondContact O-OG 3.46Å |
| 400 | L | 90.4 | Very high | 88.7 | Confident | 36 Ų | 36 | 38.4 Ų | 38.4 | 19% | 0.188 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64 | -42.1 | 174.1 | -72.2 | 175.5 | 0 | 0 | 0 | 111.6 | L311 M314 E315 L318 F396 T397 S403 S404 | L311-L400 HydrophobicContact CD1-CD1 3.76Å; M314-L400 HydrophobicContact CB-CD1 4.23Å; E315-L400 HydrophobicContact CG-CD1 3.62Å; E315-L400 HydrophobicContact CG-CD2 3.65Å; E315-L400 HydrophobicContact CG-CG 4.29Å; L318-L400 VanDerWaalsContact CD2-C 3.47Å; L318-L400 HydrophobicContact CD2-CB 3.89Å; L318-L400 VanDerWaalsContact CD2-O 3.26Å; L318-L400 WeakPolarHBondContact CD2-O 3.32Å; F396-L400 WeakPolarHBondContact O-CB 3.47Å; F396-L400 VanDerWaalsContact O-CG 3.26Å; F396-L400 WeakPolarHBondContact O-CG 3.49Å; F396-L400 PolarHBondContact O-N 3.3Å; T397-L400 PolarHBondContact O-N 3.19Å; L400-S403 PolarHBondContact O-N 3.43Å; L400-S404 WeakPolarHBondContact O-CB 3.34Å; L400-S404 PolarHBondContact O-N 3.02Å |
| 401 | L | 90.7 | Very high | 88.8 | Confident | 7 Ų | 7 | 38.3 Ų | 38.3 | 4% | 0.037 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.7 | -44.8 | 176.3 | -171.7 | 65.4 | 0 | 0 | 0 | 112 | L318 I378 F382 T397 A398 E399 S403 S404 L405 L440 L444 | L318-L401 HydrophobicContact CD1-CD1 4.49Å; I378-L401 HydrophobicContact CD1-CD1 3.83Å; I378-L401 HydrophobicContact CG2-CD1 4.39Å; F382-L401 HydrophobicContact CZ-CD2 4.43Å; T397-L401 WeakPolarHBondContact O-CB 3.42Å; T397-L401 PolarHBondContact O-N 2.94Å; A398-L401 PolarHBondContact O-N 3.49Å; E399-L401 VanDerWaalsContact C-N 3.35Å; L401-S403 VanDerWaalsContact C-N 3.29Å; L401-S403 PolarHBondContact O-N 2.82Å; L401-S404 WeakPolarHBondContact O-CB 3.38Å; L401-S404 PolarHBondContact O-N 3.1Å; L401-L405 HydrophobicContact CG-CD1 4.11Å; L401-L405 WeakPolarHBondContact O-CB 3.4Å; L401-L405 WeakPolarHBondContact O-CG 3.43Å; L401-L405 PolarHBondContact O-N 2.9Å; L401-L440 HydrophobicContact CD1-CD1 4.19Å; L401-L440 HydrophobicContact CD2-CB 4.03Å; L401-L440 HydrophobicContact CD2-CD1 4.36Å; L401-L444 HydrophobicContact CD2-CD1 3.83Å; L401-L444 HydrophobicContact CD2-CG 4.25Å |
| 402 | D | 87.3 | Confident | 88.9 | Confident | 31 Ų | 31 | 36.2 Ų | 36.2 | 17% | 0.166 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.1 | -39.1 | 176.9 | -169.4 | 63.1 | 0 | 0 | 0 | 111.3 | A398 E399 L405 S406 I473 V474 | A398-D402 WeakPolarHBondContact O-CB 3.24Å; A398-D402 PolarHBondContact O-N 2.8Å; E399-D402 PolarHBondContact O-N 3.35Å; D402-L405 PolarHBondContact O-N 3.23Å; D402-S406 VanDerWaalsContact O-CB 3.24Å; D402-S406 WeakPolarHBondContact O-CB 3.46Å; D402-S406 PolarHBondContact O-N 3.15Å; D402-S406 PolarHBondContact O-OG 2.89Å; D402-I473 WeakPolarHBondContact OD2-CD1 3.24Å; D402-V474 WeakPolarHBondContact OD1-CG2 3.07Å |
| 403 | S | 90.4 | Very high | 88.9 | Confident | 67 Ų | 67 | 35.5 Ų | 35.5 | 47% | 0.469 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -63.4 | -45 | 173.7 | -62 | 0 | 0 | 0 | 0 | 111.9 | E399 L400 L401 S406 L407 | E399-S403 VanDerWaalsContact O-CB 3.3Å; E399-S403 WeakPolarHBondContact O-CB 3.32Å; E399-S403 PolarHBondContact O-N 2.89Å; E399-S403 PolarHBondContact O-OG 3.46Å; L400-S403 PolarHBondContact O-N 3.43Å; L401-S403 VanDerWaalsContact C-N 3.29Å; L401-S403 PolarHBondContact O-N 2.82Å; S403-S406 PolarHBondContact O-N 3.39Å; S403-L407 WeakPolarHBondContact O-CG 3.35Å; S403-L407 PolarHBondContact O-N 3.45Å |
| 404 | S | 92.8 | Very high | 88.9 | Confident | 4 Ų | 4 | 37.8 Ų | 37.8 | 3% | 0.028 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.8 | -46.3 | 175.9 | 178.5 | 0 | 0 | 0 | 0 | 112.2 | T322 Y374 L400 L401 L407 M408 | T322-S404 WeakPolarHBondContact OG1-CB 3.36Å; T322-S404 PolarHBondContact OG1-OG 2.9Å; Y374-S404 PolarHBondContact OH-OG 3.23Å; L400-S404 WeakPolarHBondContact O-CB 3.34Å; L400-S404 PolarHBondContact O-N 3.02Å; L401-S404 WeakPolarHBondContact O-CB 3.38Å; L401-S404 PolarHBondContact O-N 3.1Å; S404-L407 PolarHBondContact O-N 3.49Å; S404-M408 PolarHBondContact O-N 2.77Å; S404-M408 VanDerWaalsContact O-N 3.1Å |
| 405 | L | 90.9 | Very high | 88.9 | Confident | 5 Ų | 5 | 38.4 Ų | 38.4 | 3% | 0.026 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.3 | -38 | 178 | -69.1 | 170.1 | 0 | 0 | 0 | 111.8 | Y374 L401 D402 L407 M408 V409 L436 V437 L440 V474 | Y374-L405 HydrophobicContact CE1-CD2 4.18Å; L401-L405 HydrophobicContact CG-CD1 4.11Å; L401-L405 WeakPolarHBondContact O-CB 3.4Å; L401-L405 WeakPolarHBondContact O-CG 3.43Å; L401-L405 PolarHBondContact O-N 2.9Å; D402-L405 PolarHBondContact O-N 3.23Å; L405-L407 PolarHBondContact O-N 2.94Å; L405-M408 HydrophobicContact CD2-CE 4Å; L405-M408 VanDerWaalsContact O-CB 3.32Å; L405-M408 WeakPolarHBondContact O-CB 3.26Å; L405-M408 PolarHBondContact O-N 3.26Å; L405-V409 WeakPolarHBondContact O-CG2 3.36Å; L405-V409 PolarHBondContact O-N 3.31Å; L405-L436 HydrophobicContact CD2-CD2 4.05Å; L405-V437 HydrophobicContact CD1-CG2 4.16Å; L405-L440 HydrophobicContact CD1-CD1 4.48Å; L405-L440 HydrophobicContact CD2-CD1 4.28Å; L405-V474 HydrophobicContact CB-CB 4.38Å; L405-V474 HydrophobicContact CB-CG1 4.13Å; L405-V474 HydrophobicContact CB-CG2 3.41Å; L405-V474 VanDerWaalsContact CB-CG2 3.41Å; L405-V474 HydrophobicContact CD1-CG2 4.02Å; L405-V474 HydrophobicContact CG-CG2 4.36Å |
| 406 | S | 88.5 | Confident | 89 | Confident | 38 Ų | 38 | 34.7 Ų | 34.7 | 27% | 0.266 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.9 | -43.3 | 176 | -66.7 | 0 | 0 | 0 | 0 | 111.6 | D402 S403 M408 V409 D410 | D402-S406 VanDerWaalsContact O-CB 3.24Å; D402-S406 WeakPolarHBondContact O-CB 3.46Å; D402-S406 PolarHBondContact O-N 3.15Å; D402-S406 PolarHBondContact O-OG 2.89Å; S403-S406 PolarHBondContact O-N 3.39Å; S406-M408 VanDerWaalsContact C-N 3.32Å; S406-M408 PolarHBondContact O-N 2.98Å; S406-V409 PolarHBondContact O-N 3.29Å; S406-D410 PolarHBondContact O-N 3.4Å |
| 407 | L | 91.8 | Very high | 88.9 | Confident | 92 Ų | 92 | 36.2 Ų | 36.2 | 48% | 0.482 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -61.5 | -39.9 | 173.4 | -70.6 | 173.2 | 0 | 0 | 0 | 112.2 | T322 L326 S403 S404 L405 D410 S411 | T322-L407 HydrophobicContact CG2-CB 4.25Å; T322-L407 HydrophobicContact CG2-CD1 4.14Å; L326-L407 HydrophobicContact CD1-CB 4.29Å; L326-L407 HydrophobicContact CD2-CB 4.49Å; L326-L407 WeakPolarHBondContact CD2-O 3.17Å; S403-L407 WeakPolarHBondContact O-CG 3.35Å; S403-L407 PolarHBondContact O-N 3.45Å; S404-L407 PolarHBondContact O-N 3.49Å; L405-L407 PolarHBondContact O-N 2.94Å; L407-D410 PolarHBondContact O-N 3.41Å; L407-S411 PolarHBondContact O-N 3.49Å |
| 408 | M | 92.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.3 | -48.7 | 173.3 | -177.5 | -163.3 | -57.8 | 0 | 0 | 110.6 | L325 L329 L371 Y374 S404 L405 S406 D410 S411 L412 F428 V432 L436 | L325-M408 HydrophobicContact CD2-CB 4.18Å; L325-M408 HydrophobicContact CD2-CE 3.16Å; L325-M408 HydrophobicContact CD2-CG 3.67Å; L325-M408 HydrophobicContact CD2-SD 3.93Å; L329-M408 HydrophobicContact CD1-CG 4.06Å; L371-M408 HydrophobicContact CD1-CE 4.16Å; L371-M408 HydrophobicContact CD1-SD 4.19Å; Y374-M408 HydrophobicContact CD1-CE 3.57Å; Y374-M408 HydrophobicContact CD2-CE 4.38Å; Y374-M408 HydrophobicContact CE1-CE 3.24Å; Y374-M408 HydrophobicContact CE2-CE 4.1Å; Y374-M408 HydrophobicContact CG-CE 4.13Å; S404-M408 PolarHBondContact O-N 2.77Å; S404-M408 VanDerWaalsContact O-N 3.1Å; L405-M408 HydrophobicContact CD2-CE 4Å; L405-M408 VanDerWaalsContact O-CB 3.32Å; L405-M408 WeakPolarHBondContact O-CB 3.26Å; L405-M408 PolarHBondContact O-N 3.26Å; S406-M408 VanDerWaalsContact C-N 3.32Å; S406-M408 PolarHBondContact O-N 2.98Å; M408-D410 PolarHBondContact O-N 3.08Å; M408-S411 WeakPolarHBondContact O-CB 3.45Å; M408-S411 PolarHBondContact O-N 3.09Å; M408-L412 HydrophobicContact CG-CD1 4.29Å; M408-L412 WeakPolarHBondContact O-CG 3.39Å; M408-L412 PolarHBondContact O-N 3.32Å; M408-F428 HydrophobicContact SD-CE1 4.3Å; M408-V432 HydrophobicContact SD-CG1 4.06Å; M408-V432 HydrophobicContact SD-CG2 3.62Å; M408-L436 HydrophobicContact CE-CD2 3.89Å |
| 409 | V | 88.5 | Confident | 88.5 | Confident | 3 Ų | 3 | 46.3 Ų | 46.3 | 2% | 0.018 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.5 | -43 | -179.7 | 172 | 0 | 0 | 0 | 0 | 111.9 | L405 S406 S411 L412 K413 V474 V477 C478 | L405-V409 WeakPolarHBondContact O-CG2 3.36Å; L405-V409 PolarHBondContact O-N 3.31Å; S406-V409 PolarHBondContact O-N 3.29Å; V409-S411 VanDerWaalsContact C-N 3.32Å; V409-S411 PolarHBondContact O-N 2.72Å; V409-L412 WeakPolarHBondContact O-CB 3.46Å; V409-L412 PolarHBondContact O-N 3.02Å; V409-L412 VanDerWaalsContact O-N 3.13Å; V409-K413 WeakPolarHBondContact O-CG 3.38Å; V409-K413 PolarHBondContact O-N 2.92Å; V409-V474 HydrophobicContact CG2-CG1 3.96Å; V409-V477 HydrophobicContact CG1-CB 4.44Å; V409-V477 HydrophobicContact CG1-CG1 3.64Å; V409-C478 WeakPolarHBondContact CG2-SG 3.45Å |
| 410 | D | 88.8 | Confident | 88 | Confident | 80 Ų | 80 | 47.2 Ų | 47.2 | 43% | 0.428 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66.2 | -35.2 | 177.3 | -72.1 | -22.1 | 0 | 0 | 0 | 112.5 | S406 L407 M408 K413 T414 | S406-D410 PolarHBondContact O-N 3.4Å; L407-D410 PolarHBondContact O-N 3.41Å; M408-D410 PolarHBondContact O-N 3.08Å; D410-K413 PolarHBondContact O-N 2.91Å; D410-K413 IonicContact OD1-NZ 3.02Å; D410-K413 PolarHBondContact OD1-NZ 3.21Å; D410-T414 PolarHBondContact O-N 3.25Å; D410-T414 VanDerWaalsContact O-N 3.09Å; D410-T414 PolarHBondContact O-OG1 3.47Å |
| 411 | S | 90.1 | Very high | 87.6 | Confident | 22 Ų | 22 | 48.6 Ų | 48.6 | 15% | 0.154 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.4 | -39.4 | 170.1 | -170.2 | 0 | 0 | 0 | 0 | 112 | L407 M408 V409 T414 S415 | L407-S411 PolarHBondContact O-N 3.49Å; M408-S411 WeakPolarHBondContact O-CB 3.45Å; M408-S411 PolarHBondContact O-N 3.09Å; V409-S411 VanDerWaalsContact C-N 3.32Å; V409-S411 PolarHBondContact O-N 2.72Å; S411-T414 PolarHBondContact O-N 2.94Å; S411-S415 WeakPolarHBondContact O-CB 3.26Å; S411-S415 PolarHBondContact O-N 2.9Å; S411-S415 PolarHBondContact O-OG 3.08Å |
| 412 | L | 89.3 | Confident | 87.3 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.3 | -38.7 | 175.8 | -69 | 173.6 | 0 | 0 | 0 | 111.8 | L329 F335 M408 V409 S415 F416 V425 F428 A429 V432 F482 | L329-L412 HydrophobicContact CD1-CD2 4.23Å; L329-L412 HydrophobicContact CD1-CG 4.47Å; L329-L412 HydrophobicContact CD2-CD2 4.12Å; F335-L412 HydrophobicContact CE1-CD2 3.63Å; F335-L412 HydrophobicContact CZ-CD2 4.27Å; M408-L412 HydrophobicContact CG-CD1 4.29Å; M408-L412 WeakPolarHBondContact O-CG 3.39Å; M408-L412 PolarHBondContact O-N 3.32Å; V409-L412 WeakPolarHBondContact O-CB 3.46Å; V409-L412 PolarHBondContact O-N 3.02Å; V409-L412 VanDerWaalsContact O-N 3.13Å; L412-S415 PolarHBondContact O-N 3.5Å; L412-F416 VanDerWaalsContact O-CB 3.28Å; L412-F416 WeakPolarHBondContact O-CB 3.39Å; L412-F416 PolarHBondContact O-N 2.91Å; L412-V425 HydrophobicContact CD2-CG1 4.27Å; L412-F428 HydrophobicContact CD1-CD1 3.89Å; L412-F428 HydrophobicContact CD1-CE1 4.15Å; L412-F428 HydrophobicContact CD2-CD1 3.57Å; L412-F428 HydrophobicContact CD2-CE1 3.9Å; L412-F428 HydrophobicContact CD2-CG 4.3Å; L412-F428 HydrophobicContact CG-CD1 4.37Å; L412-A429 HydrophobicContact CD1-CB 4.17Å; L412-V432 HydrophobicContact CD1-CG2 4.43Å; L412-F482 HydrophobicContact CB-CE2 4.31Å; L412-F482 HydrophobicContact CB-CZ 3.9Å |
| 413 | K | 87.4 | Confident | 87.2 | Confident | 45 Ų | 45 | 49.5 Ų | 49.5 | 20% | 0.196 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.2 | -48.3 | 174.3 | -67.3 | 174.9 | -170.2 | 152.2 | 0 | 110.6 | V409 D410 S415 F416 E417 Y481 F482 | V409-K413 WeakPolarHBondContact O-CG 3.38Å; V409-K413 PolarHBondContact O-N 2.92Å; D410-K413 PolarHBondContact O-N 2.91Å; D410-K413 IonicContact OD1-NZ 3.02Å; D410-K413 PolarHBondContact OD1-NZ 3.21Å; K413-S415 VanDerWaalsContact C-N 3.34Å; K413-S415 PolarHBondContact O-N 3.46Å; K413-F416 WeakPolarHBondContact O-CB 3.12Å; K413-F416 PolarHBondContact O-N 3.32Å; K413-E417 WeakPolarHBondContact O-CG 3.47Å; K413-E417 PolarHBondContact O-N 3.18Å; K413-E417 VanDerWaalsContact O-N 3.09Å; K413-Y481 HydrophobicContact CB-CE1 4.07Å; K413-Y481 HydrophobicContact CD-CD1 4.39Å; K413-Y481 HydrophobicContact CD-CE1 4.37Å; K413-Y481 HydrophobicContact CD-CG 4.46Å; K413-Y481 HydrophobicContact CG-CD1 3.74Å; K413-Y481 HydrophobicContact CG-CE1 3.69Å; K413-Y481 HydrophobicContact CG-CG 4.26Å; K413-F482 HydrophobicContact CG-CE2 4.34Å; K413-F482 HydrophobicContact CG-CZ 3.93Å |
| 414 | T | 87.9 | Confident | 87.1 | Confident | 53 Ų | 53 | 46.7 Ų | 46.7 | 33% | 0.325 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62 | -42 | 178.6 | -53.4 | 0 | 0 | 0 | 0 | 111.6 | D410 S411 R418 | D410-T414 PolarHBondContact O-N 3.25Å; D410-T414 VanDerWaalsContact O-N 3.09Å; D410-T414 PolarHBondContact O-OG1 3.47Å; S411-T414 PolarHBondContact O-N 2.94Å; T414-R418 VanDerWaalsContact CG2-CZ 3.48Å; T414-R418 WeakPolarHBondContact O-CG 3.46Å; T414-R418 PolarHBondContact O-N 2.88Å |
| 415 | S | 87.4 | Confident | 86.9 | Confident | 16 Ų | 16 | 46.5 Ų | 46.5 | 11% | 0.112 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69.6 | -36.3 | 177.4 | -65.9 | 0 | 0 | 0 | 0 | 111.9 | L329 S411 L412 K413 R418 S419 | L329-S415 PolarHBondContact O-OG 2.89Å; S411-S415 WeakPolarHBondContact O-CB 3.26Å; S411-S415 PolarHBondContact O-N 2.9Å; S411-S415 PolarHBondContact O-OG 3.08Å; L412-S415 PolarHBondContact O-N 3.5Å; K413-S415 VanDerWaalsContact C-N 3.34Å; K413-S415 PolarHBondContact O-N 3.46Å; S415-R418 PolarHBondContact O-N 3.16Å; S415-S419 WeakPolarHBondContact O-CA 3.21Å; S415-S419 WeakPolarHBondContact O-CB 3.18Å; S415-S419 PolarHBondContact O-N 3.14Å |
| 416 | F | 86.6 | Confident | 86.7 | Confident | 21 Ų | 21 | 47 Ų | 47 | 9% | 0.092 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.2 | -44.2 | 175 | 177.4 | -91.5 | 0 | 0 | 0 | 112 | L412 K413 R418 P422 V425 I426 F482 P488 | L412-F416 VanDerWaalsContact O-CB 3.28Å; L412-F416 WeakPolarHBondContact O-CB 3.39Å; L412-F416 PolarHBondContact O-N 2.91Å; K413-F416 WeakPolarHBondContact O-CB 3.12Å; K413-F416 PolarHBondContact O-N 3.32Å; F416-R418 VanDerWaalsContact C-N 3.27Å; F416-R418 PolarHBondContact O-N 3.49Å; F416-P422 HydrophobicContact CD2-CB 3.81Å; F416-P422 HydrophobicContact CE2-CB 3.44Å; F416-P422 VanDerWaalsContact CE2-CB 3.44Å; F416-P422 HydrophobicContact CZ-CB 4.1Å; F416-V425 HydrophobicContact CB-CB 4.46Å; F416-V425 HydrophobicContact CB-CG1 3.88Å; F416-V425 HydrophobicContact CD2-CB 4.38Å; F416-V425 HydrophobicContact CD2-CG1 4.48Å; F416-I426 HydrophobicContact CD2-CD1 4.44Å; F416-I426 HydrophobicContact CD2-CG1 4.11Å; F416-I426 HydrophobicContact CE2-CD1 3.69Å; F416-I426 HydrophobicContact CE2-CG1 3.79Å; F416-F482 HydrophobicContact CB-CE1 3.91Å; F416-F482 HydrophobicContact CD2-CD1 4.42Å; F416-F482 HydrophobicContact CD2-CE1 4.27Å; F416-F482 HydrophobicContact CG-CE1 4.07Å; F416-P488 HydrophobicContact CD1-CB 4.35Å; F416-P488 HydrophobicContact CE1-CB 3.38Å; F416-P488 HydrophobicContact CE1-CG 4.22Å; F416-P488 HydrophobicContact CZ-CB 3.76Å |
| 417 | E | 85.5 | Confident | 86.7 | Confident | 129 Ų | 129 | 47 Ų | 47 | 60% | 0.603 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -67.2 | -26.9 | 179.4 | -71.3 | 169.8 | -169.6 | 0 | 0 | 113.2 | K413 Y481 | K413-E417 WeakPolarHBondContact O-CG 3.47Å; K413-E417 PolarHBondContact O-N 3.18Å; K413-E417 VanDerWaalsContact O-N 3.09Å; E417-Y481 PolarHBondContact OE1-OH 2.84Å |
| 418 | R | 84.8 | Confident | 86.7 | Confident | 202 Ų | 202 | 42.6 Ų | 42.6 | 76% | 0.762 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -100.2 | -17.8 | -177.3 | -65.6 | 177 | -177.3 | 170.4 | 2.9 | 114.1 | T414 S415 F416 | T414-R418 VanDerWaalsContact CG2-CZ 3.48Å; T414-R418 WeakPolarHBondContact O-CG 3.46Å; T414-R418 PolarHBondContact O-N 2.88Å; S415-R418 PolarHBondContact O-N 3.16Å; F416-R418 VanDerWaalsContact C-N 3.27Å; F416-R418 PolarHBondContact O-N 3.49Å |
| 419 | S | 79.7 | Confident | 86.5 | Confident | 23 Ų | 23 | 42.6 Ų | 42.6 | 16% | 0.161 | 23% | 0.229 | C | C | . | . | trans | -77.4 | 137.2 | -171 | -177.6 | 0 | 0 | 0 | 0 | 112.4 | S415 D421 | S415-S419 WeakPolarHBondContact O-CA 3.21Å; S415-S419 WeakPolarHBondContact O-CB 3.18Å; S415-S419 PolarHBondContact O-N 3.14Å; S419-D421 PolarHBondContact O-N 3.4Å; S419-D421 PolarHBondContact OG-N 2.81Å; S419-D421 PolarHBondContact OG-O 3.09Å | ||
| 420 | S | 77.4 | Confident | 86.5 | Confident | 117 Ų | 117 | 43.9 Ų | 43.9 | 82% | 0.818 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -71.4 | -17.9 | 166.1 | -56.9 | 0 | 0 | 0 | 0 | 112.9 | ||
| 421 | D | 81.4 | Confident | 86.6 | Confident | 66 Ų | 66 | 40.9 Ų | 40.9 | 35% | 0.353 | 22% | 0.22 | S | C | . | . | trans | -122.5 | 82 | 176.7 | -176.2 | 15.6 | 0 | 0 | 0 | 110.5 | S419 D423 G424 | S419-D421 PolarHBondContact O-N 3.4Å; S419-D421 PolarHBondContact OG-N 2.81Å; S419-D421 PolarHBondContact OG-O 3.09Å; D421-D423 VanDerWaalsContact C-N 3.29Å; D421-D423 PolarHBondContact OD1-N 2.93Å; D421-G424 PolarHBondContact OD1-N 3.48Å | ||
| 422 | P | 83.9 | Confident | 86.6 | Confident | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.013 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -70.8 | -26.4 | 178.5 | 24.8 | -30.7 | 0 | 0 | 0 | 112.6 | F416 G424 V425 I426 Y492 | F416-P422 HydrophobicContact CD2-CB 3.81Å; F416-P422 HydrophobicContact CE2-CB 3.44Å; F416-P422 VanDerWaalsContact CE2-CB 3.44Å; F416-P422 HydrophobicContact CZ-CB 4.1Å; P422-G424 VanDerWaalsContact C-N 3.28Å; P422-G424 PolarHBondContact O-N 2.92Å; P422-V425 PolarHBondContact O-N 3.13Å; P422-I426 VanDerWaalsContact O-CD1 3.26Å; P422-I426 WeakPolarHBondContact O-CD1 3.34Å; P422-I426 VanDerWaalsContact O-CG1 3.22Å; P422-I426 WeakPolarHBondContact O-CG1 3.47Å; P422-I426 PolarHBondContact O-N 3.45Å; P422-Y492 HydrophobicContact CB-CE1 4.43Å; P422-Y492 HydrophobicContact CG-CD1 3.7Å; P422-Y492 HydrophobicContact CG-CD2 4.13Å; P422-Y492 HydrophobicContact CG-CE1 3.21Å; P422-Y492 HydrophobicContact CG-CE2 3.68Å; P422-Y492 HydrophobicContact CG-CG 4.15Å; P422-Y492 WeakPolarHBondContact CG-OH 3.1Å |
| 423 | D | 86.4 | Confident | 86.4 | Confident | 55 Ų | 55 | 41.1 Ų | 41.1 | 29% | 0.294 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.3 | -38.2 | -179 | -67.8 | -42.7 | 0 | 0 | 0 | 110.7 | D421 I426 A427 R496 | D421-D423 VanDerWaalsContact C-N 3.29Å; D421-D423 PolarHBondContact OD1-N 2.93Å; D423-I426 PolarHBondContact O-N 3.03Å; D423-A427 PolarHBondContact O-N 2.85Å; D423-A427 VanDerWaalsContact O-N 3.07Å; D423-R496 IonicContact OD2-NH1 3.69Å; D423-R496 PolarHBondContact OD2-NH1 3.1Å |
| 424 | G | 87.3 | Confident | 86.5 | Confident | 7 Ų | 7 | 45.1 Ų | 45.1 | 7% | 0.072 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.8 | -41.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | D421 P422 I426 A427 F428 | D421-G424 PolarHBondContact OD1-N 3.48Å; P422-G424 VanDerWaalsContact C-N 3.28Å; P422-G424 PolarHBondContact O-N 2.92Å; G424-I426 VanDerWaalsContact C-N 3.32Å; G424-I426 PolarHBondContact O-N 2.9Å; G424-A427 PolarHBondContact O-N 3.33Å; G424-F428 PolarHBondContact O-N 3.06Å |
| 425 | V | 88.4 | Confident | 86.5 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.3 | -39.4 | 178.2 | -176.5 | 0 | 0 | 0 | 0 | 111.1 | F335 L412 F416 P422 F428 A429 | F335-V425 HydrophobicContact CB-CG2 4.39Å; F335-V425 HydrophobicContact CD1-CB 4.24Å; F335-V425 HydrophobicContact CD1-CG1 4.47Å; F335-V425 HydrophobicContact CD1-CG2 3.85Å; F335-V425 HydrophobicContact CD2-CG2 3.89Å; F335-V425 HydrophobicContact CE1-CB 4.43Å; F335-V425 HydrophobicContact CE1-CG1 4.19Å; F335-V425 HydrophobicContact CE1-CG2 4.07Å; F335-V425 HydrophobicContact CE2-CG2 4.11Å; F335-V425 HydrophobicContact CG-CG2 3.75Å; F335-V425 HydrophobicContact CZ-CG2 4.2Å; L412-V425 HydrophobicContact CD2-CG1 4.27Å; F416-V425 HydrophobicContact CB-CB 4.46Å; F416-V425 HydrophobicContact CB-CG1 3.88Å; F416-V425 HydrophobicContact CD2-CB 4.38Å; F416-V425 HydrophobicContact CD2-CG1 4.48Å; P422-V425 PolarHBondContact O-N 3.13Å; V425-F428 WeakPolarHBondContact O-CB 3.32Å; V425-F428 PolarHBondContact O-N 3Å; V425-A429 PolarHBondContact O-N 3.33Å |
| 426 | I | 87.8 | Confident | 86.7 | Confident | 15 Ų | 15 | 43.1 Ų | 43.1 | 8% | 0.077 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.8 | -52 | 175.6 | -71.1 | 158.5 | 0 | 0 | 0 | 110.6 | F416 P422 D423 G424 F428 A429 T430 L489 | F416-I426 HydrophobicContact CD2-CD1 4.44Å; F416-I426 HydrophobicContact CD2-CG1 4.11Å; F416-I426 HydrophobicContact CE2-CD1 3.69Å; F416-I426 HydrophobicContact CE2-CG1 3.79Å; P422-I426 VanDerWaalsContact O-CD1 3.26Å; P422-I426 WeakPolarHBondContact O-CD1 3.34Å; P422-I426 VanDerWaalsContact O-CG1 3.22Å; P422-I426 WeakPolarHBondContact O-CG1 3.47Å; P422-I426 PolarHBondContact O-N 3.45Å; D423-I426 PolarHBondContact O-N 3.03Å; G424-I426 VanDerWaalsContact C-N 3.32Å; G424-I426 PolarHBondContact O-N 2.9Å; I426-F428 PolarHBondContact O-N 2.97Å; I426-A429 CarbonylContact O-C 3.59Å; I426-A429 WeakPolarHBondContact O-CA 3.44Å; I426-A429 WeakPolarHBondContact O-CB 3.34Å; I426-A429 PolarHBondContact O-N 2.98Å; I426-T430 PolarHBondContact O-N 3.43Å; I426-T430 PolarHBondContact O-OG1 3.36Å; I426-L489 HydrophobicContact CB-CD1 3.97Å; I426-L489 HydrophobicContact CD1-CB 3.97Å; I426-L489 HydrophobicContact CD1-CD1 3.32Å; I426-L489 HydrophobicContact CD1-CD2 4.48Å; I426-L489 HydrophobicContact CD1-CG 3.28Å; I426-L489 HydrophobicContact CG1-CD1 3.57Å; I426-L489 HydrophobicContact CG1-CG 4.07Å; I426-L489 HydrophobicContact CG2-CD1 3.2Å; I426-L489 HydrophobicContact CG2-CG 4.35Å |
| 427 | A | 88.4 | Confident | 86.8 | Confident | 38 Ų | 38 | 42.1 Ų | 42.1 | 31% | 0.314 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.2 | -35.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y368 D423 G424 L431 | Y368-A427 WeakPolarHBondContact OH-CB 3.37Å; D423-A427 PolarHBondContact O-N 2.85Å; D423-A427 VanDerWaalsContact O-N 3.07Å; G424-A427 PolarHBondContact O-N 3.33Å; A427-L431 WeakPolarHBondContact O-CB 3.4Å; A427-L431 PolarHBondContact O-N 3.09Å; A427-L431 VanDerWaalsContact O-N 3.09Å |
| 428 | F | 90.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.1 | -49.8 | 169.3 | -169.3 | -73.7 | 0 | 0 | 0 | 111.8 | L329 F335 Y368 L371 M408 L412 G424 V425 I426 T430 L431 V432 | L329-F428 HydrophobicContact CD2-CE1 4.15Å; L329-F428 HydrophobicContact CD2-CE2 4.14Å; L329-F428 HydrophobicContact CD2-CZ 3.79Å; F335-F428 HydrophobicContact CD1-CB 4.16Å; F335-F428 HydrophobicContact CD1-CD2 4.27Å; F335-F428 HydrophobicContact CD1-CG 4.28Å; F335-F428 HydrophobicContact CE1-CG 4.45Å; Y368-F428 HydrophobicContact CD1-CB 4.45Å; Y368-F428 AromaticContact CD1-CD2 3.6Å; Y368-F428 HydrophobicContact CD1-CD2 3.6Å; Y368-F428 HydrophobicContact CD1-CE2 4.39Å; Y368-F428 HydrophobicContact CD1-CG 4.49Å; Y368-F428 HydrophobicContact CD2-CD2 4.38Å; Y368-F428 HydrophobicContact CE1-CB 4.31Å; Y368-F428 HydrophobicContact CE1-CD2 4.26Å; Y368-F428 AromaticContact CG-CD2 3.65Å; Y368-F428 HydrophobicContact CG-CD2 3.65Å; Y368-F428 HydrophobicContact CG-CE2 4.25Å; L371-F428 HydrophobicContact CB-CE2 3.8Å; L371-F428 HydrophobicContact CB-CZ 3.68Å; L371-F428 HydrophobicContact CD1-CE1 3.94Å; L371-F428 HydrophobicContact CD1-CZ 3.79Å; L371-F428 HydrophobicContact CD2-CE1 4.41Å; L371-F428 HydrophobicContact CD2-CZ 4.3Å; L371-F428 HydrophobicContact CG-CZ 4.14Å; M408-F428 HydrophobicContact SD-CE1 4.3Å; L412-F428 HydrophobicContact CD1-CD1 3.89Å; L412-F428 HydrophobicContact CD1-CE1 4.15Å; L412-F428 HydrophobicContact CD2-CD1 3.57Å; L412-F428 HydrophobicContact CD2-CE1 3.9Å; L412-F428 HydrophobicContact CD2-CG 4.3Å; L412-F428 HydrophobicContact CG-CD1 4.37Å; G424-F428 PolarHBondContact O-N 3.06Å; V425-F428 WeakPolarHBondContact O-CB 3.32Å; V425-F428 PolarHBondContact O-N 3Å; I426-F428 PolarHBondContact O-N 2.97Å; F428-T430 PolarHBondContact O-N 2.93Å; F428-L431 WeakPolarHBondContact O-CB 3.42Å; F428-L431 PolarHBondContact O-N 3.04Å; F428-V432 HydrophobicContact CD1-CG2 3.88Å; F428-V432 HydrophobicContact CE1-CG2 3.74Å; F428-V432 WeakPolarHBondContact O-CG2 3.45Å; F428-V432 PolarHBondContact O-N 3.23Å |
| 429 | A | 89.5 | Confident | 87.1 | Confident | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.008 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.4 | -39 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L412 V425 I426 L431 V432 E433 F482 | L412-A429 HydrophobicContact CD1-CB 4.17Å; V425-A429 PolarHBondContact O-N 3.33Å; I426-A429 CarbonylContact O-C 3.59Å; I426-A429 WeakPolarHBondContact O-CA 3.44Å; I426-A429 WeakPolarHBondContact O-CB 3.34Å; I426-A429 PolarHBondContact O-N 2.98Å; A429-L431 VanDerWaalsContact C-N 3.3Å; A429-L431 PolarHBondContact O-N 2.95Å; A429-V432 WeakPolarHBondContact O-CB 3.45Å; A429-V432 PolarHBondContact O-N 3.44Å; A429-E433 PolarHBondContact O-N 3.05Å; A429-F482 HydrophobicContact CB-CB 4.28Å; A429-F482 HydrophobicContact CB-CD1 4.4Å; A429-F482 HydrophobicContact CB-CD2 3.67Å; A429-F482 HydrophobicContact CB-CE2 4.06Å; A429-F482 HydrophobicContact CB-CG 3.86Å |
| 430 | T | 88.7 | Confident | 87.6 | Confident | 29 Ų | 29 | 27.7 Ų | 27.7 | 18% | 0.178 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.4 | -44 | 173.1 | -52.7 | 0 | 0 | 0 | 0 | 110.8 | I426 F428 V432 E433 E434 L483 | I426-T430 PolarHBondContact O-N 3.43Å; I426-T430 PolarHBondContact O-OG1 3.36Å; F428-T430 PolarHBondContact O-N 2.93Å; T430-V432 VanDerWaalsContact C-N 3.33Å; T430-V432 PolarHBondContact O-N 2.93Å; T430-E433 PolarHBondContact O-N 3.45Å; T430-E434 HydrophobicContact CG2-CG 4.1Å; T430-E434 WeakPolarHBondContact O-CB 3.35Å; T430-E434 WeakPolarHBondContact O-CG 3.48Å; T430-E434 PolarHBondContact O-N 3.27Å; T430-L483 HydrophobicContact CG2-CD1 4.28Å; T430-L483 WeakPolarHBondContact OG1-CD2 3.3Å |
| 431 | L | 89.7 | Confident | 88.1 | Confident | 18 Ų | 18 | 23.1 Ų | 23.1 | 9% | 0.094 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -68 | -33.5 | 179.5 | -171 | 65.8 | 0 | 0 | 0 | 112.7 | A364 L365 Y368 L371 A427 F428 A429 S435 L436 | A364-L431 HydrophobicContact CB-CD1 3.61Å; A364-L431 WeakPolarHBondContact O-CD2 3.44Å; L365-L431 HydrophobicContact CD2-CD1 4.26Å; L365-L431 HydrophobicContact CD2-CD2 4.08Å; L365-L431 HydrophobicContact CD2-CG 3.81Å; Y368-L431 HydrophobicContact CD2-CD2 3.54Å; Y368-L431 HydrophobicContact CE2-CD2 4.13Å; L371-L431 HydrophobicContact CD2-CB 4.31Å; L371-L431 HydrophobicContact CD2-CD2 3.83Å; L371-L431 HydrophobicContact CD2-CG 3.99Å; A427-L431 WeakPolarHBondContact O-CB 3.4Å; A427-L431 PolarHBondContact O-N 3.09Å; A427-L431 VanDerWaalsContact O-N 3.09Å; F428-L431 WeakPolarHBondContact O-CB 3.42Å; F428-L431 PolarHBondContact O-N 3.04Å; A429-L431 VanDerWaalsContact C-N 3.3Å; A429-L431 PolarHBondContact O-N 2.95Å; L431-S435 WeakPolarHBondContact CD1-OG 3.4Å; L431-S435 WeakPolarHBondContact O-CA 3.33Å; L431-S435 WeakPolarHBondContact O-CB 3.46Å; L431-S435 PolarHBondContact O-N 3Å; L431-L436 PolarHBondContact O-N 2.98Å |
| 432 | V | 89.6 | Confident | 88.4 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | I | π-helix | trans | -59.4 | -51.5 | 170 | 171.7 | 0 | 0 | 0 | 0 | 110.3 | L371 M408 L412 F428 A429 T430 L436 V437 V474 | L371-V432 HydrophobicContact CD1-CG2 3.79Å; L371-V432 HydrophobicContact CD2-CG2 4.06Å; M408-V432 HydrophobicContact SD-CG1 4.06Å; M408-V432 HydrophobicContact SD-CG2 3.62Å; L412-V432 HydrophobicContact CD1-CG2 4.43Å; F428-V432 HydrophobicContact CD1-CG2 3.88Å; F428-V432 HydrophobicContact CE1-CG2 3.74Å; F428-V432 WeakPolarHBondContact O-CG2 3.45Å; F428-V432 PolarHBondContact O-N 3.23Å; A429-V432 WeakPolarHBondContact O-CB 3.45Å; A429-V432 PolarHBondContact O-N 3.44Å; T430-V432 VanDerWaalsContact C-N 3.33Å; T430-V432 PolarHBondContact O-N 2.93Å; V432-L436 HydrophobicContact CG1-CD2 4.45Å; V432-L436 WeakPolarHBondContact O-CB 3.41Å; V432-L436 PolarHBondContact O-N 2.78Å; V432-V437 HydrophobicContact CG1-CG2 4.27Å; V432-V437 WeakPolarHBondContact O-CG2 3.28Å; V432-V437 PolarHBondContact O-N 3Å; V432-V474 HydrophobicContact CG1-CG1 4.47Å |
| 433 | E | 86.7 | Confident | 88.6 | Confident | 27 Ų | 27 | 26.5 Ų | 26.5 | 13% | 0.126 | 14% | 0.143 | C | C | . | . | I | π-helix | trans | -66.7 | -46.3 | -177.4 | -178.6 | 179 | 165.1 | 0 | 0 | 113.3 | A429 T430 P438 K475 C478 S479 L483 | A429-E433 PolarHBondContact O-N 3.05Å; T430-E433 PolarHBondContact O-N 3.45Å; E433-P438 VanDerWaalsContact O-CD 3.26Å; E433-P438 WeakPolarHBondContact O-CD 3.28Å; E433-K475 HydrophobicContact CG-CB 4.42Å; E433-K475 HydrophobicContact CG-CG 4.18Å; E433-C478 HydrophobicContact CB-CB 4.01Å; E433-C478 HydrophobicContact CG-CB 4.38Å; E433-C478 WeakPolarHBondContact OE2-CB 3.35Å; E433-S479 WeakPolarHBondContact OE1-CB 3.35Å; E433-S479 PolarHBondContact OE1-OG 3.38Å; E433-S479 VanDerWaalsContact OE2-CA 3.28Å; E433-S479 WeakPolarHBondContact OE2-CA 3.44Å; E433-S479 PolarHBondContact OE2-N 3.46Å; E433-L483 VanDerWaalsContact OE2-CD1 3.28Å; E433-L483 WeakPolarHBondContact OE2-CD1 3.16Å |
| 434 | E | 87.8 | Confident | 88.7 | Confident | 128 Ų | 128 | 24 Ų | 24 | 60% | 0.598 | 13% | 0.13 | S | C | * | . | I | π-helix | trans | -89 | -27.8 | -169.9 | -66.5 | -175.2 | 169.5 | 0 | 0 | 113.5 | T430 P438 | T430-E434 HydrophobicContact CG2-CG 4.1Å; T430-E434 WeakPolarHBondContact O-CB 3.35Å; T430-E434 WeakPolarHBondContact O-CG 3.48Å; T430-E434 PolarHBondContact O-N 3.27Å; E434-P438 WeakPolarHBondContact O-CG 3.43Å |
| 435 | S | 89.3 | Confident | 88.6 | Confident | 27 Ų | 27 | 27.4 Ų | 27.4 | 19% | 0.189 | 15% | 0.147 | C | C | . | . | I | π-helix | trans | -117.9 | -51.8 | -175.3 | -65.3 | 0 | 0 | 0 | 0 | 113.1 | L431 F439 | L431-S435 WeakPolarHBondContact CD1-OG 3.4Å; L431-S435 WeakPolarHBondContact O-CA 3.33Å; L431-S435 WeakPolarHBondContact O-CB 3.46Å; L431-S435 PolarHBondContact O-N 3Å; S435-F439 WeakPolarHBondContact O-CB 3.42Å; S435-F439 PolarHBondContact O-N 3.16Å |
| 436 | L | 90.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | I | π-helix | trans | -68.4 | -55.2 | -174.1 | -179.5 | 67 | 0 | 0 | 0 | 112 | L365 L371 Y374 C375 L405 M408 L431 V432 F439 L440 | L365-L436 HydrophobicContact CD1-CD1 4.13Å; L365-L436 HydrophobicContact CD2-CB 4.25Å; L371-L436 HydrophobicContact CD1-CD2 3.56Å; L371-L436 HydrophobicContact CG-CD2 4.46Å; Y374-L436 HydrophobicContact CD1-CD2 3.94Å; Y374-L436 HydrophobicContact CE1-CD2 3.81Å; C375-L436 HydrophobicContact CB-CD1 3.63Å; C375-L436 VanDerWaalsContact SG-CD1 3.6Å; L405-L436 HydrophobicContact CD2-CD2 4.05Å; M408-L436 HydrophobicContact CE-CD2 3.89Å; L431-L436 PolarHBondContact O-N 2.98Å; V432-L436 HydrophobicContact CG1-CD2 4.45Å; V432-L436 WeakPolarHBondContact O-CB 3.41Å; V432-L436 PolarHBondContact O-N 2.78Å; L436-F439 WeakPolarHBondContact O-CB 3.41Å; L436-F439 PolarHBondContact O-N 2.66Å; L436-F439 VanDerWaalsContact O-N 3.15Å; L436-L440 HydrophobicContact CD1-CD1 3.81Å; L436-L440 HydrophobicContact CD1-CD2 4.48Å; L436-L440 HydrophobicContact CD1-CG 3.98Å; L436-L440 HydrophobicContact CD2-CD1 4.29Å; L436-L440 HydrophobicContact CG-CD1 3.76Å; L436-L440 HydrophobicContact CG-CG 4.26Å; L436-L440 WeakPolarHBondContact O-CG 3.27Å; L436-L440 PolarHBondContact O-N 2.83Å |
| 437 | V | 89 | Confident | 88.6 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.8 | -48.7 | -175.6 | 177.5 | 0 | 0 | 0 | 0 | 111.9 | L405 V432 F439 L440 D441 V474 K475 | L405-V437 HydrophobicContact CD1-CG2 4.16Å; V432-V437 HydrophobicContact CG1-CG2 4.27Å; V432-V437 WeakPolarHBondContact O-CG2 3.28Å; V432-V437 PolarHBondContact O-N 3Å; V437-F439 PolarHBondContact O-N 3.02Å; V437-L440 PolarHBondContact O-N 3.26Å; V437-D441 WeakPolarHBondContact O-CB 3.38Å; V437-D441 VanDerWaalsContact O-CG 3.28Å; V437-D441 PolarHBondContact O-N 2.89Å; V437-V474 HydrophobicContact CG2-CB 4.23Å; V437-V474 HydrophobicContact CG2-CG1 3.7Å; V437-K475 HydrophobicContact CB-CG 4.4Å; V437-K475 HydrophobicContact CG1-CD 4.22Å; V437-K475 HydrophobicContact CG1-CG 4.04Å |
| 438 | P | 87.9 | Confident | 88.6 | Confident | 37 Ų | 37 | 30 Ų | 30 | 24% | 0.24 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.5 | -30.6 | 176.2 | -22.4 | 33.7 | 0 | 0 | 0 | 113.8 | E433 E434 K442 | E433-P438 VanDerWaalsContact O-CD 3.26Å; E433-P438 WeakPolarHBondContact O-CD 3.28Å; E434-P438 WeakPolarHBondContact O-CG 3.43Å; P438-K442 WeakPolarHBondContact O-CG 3.42Å; P438-K442 PolarHBondContact O-N 3.09Å |
| 439 | F | 90.2 | Very high | 88.4 | Confident | 12 Ų | 12 | 32.3 Ų | 32.3 | 5% | 0.053 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -70.8 | -46.3 | 175.6 | 174.4 | -98.7 | 0 | 0 | 0 | 111.4 | I359 K360 A361 P362 I379 S435 L436 V437 D441 K442 C443 | I359-F439 HydrophobicContact CG2-CD2 3.95Å; I359-F439 HydrophobicContact CG2-CE2 3.25Å; I359-F439 HydrophobicContact CG2-CZ 3.86Å; K360-F439 WeakPolarHBondContact O-CE2 3.26Å; A361-F439 VanDerWaalsContact CA-CE2 3.48Å; A361-F439 HydrophobicContact CB-CE2 4.33Å; A361-F439 HydrophobicContact CB-CZ 4.09Å; P362-F439 HydrophobicContact CG-CB 3.84Å; P362-F439 HydrophobicContact CG-CD2 4.07Å; P362-F439 HydrophobicContact CG-CG 3.98Å; I379-F439 HydrophobicContact CD1-CE1 3.61Å; I379-F439 HydrophobicContact CD1-CZ 3.72Å; I379-F439 HydrophobicContact CG1-CE1 3.93Å; I379-F439 HydrophobicContact CG1-CZ 4.29Å; S435-F439 WeakPolarHBondContact O-CB 3.42Å; S435-F439 PolarHBondContact O-N 3.16Å; L436-F439 WeakPolarHBondContact O-CB 3.41Å; L436-F439 PolarHBondContact O-N 2.66Å; L436-F439 VanDerWaalsContact O-N 3.15Å; V437-F439 PolarHBondContact O-N 3.02Å; F439-D441 VanDerWaalsContact C-N 3.33Å; F439-D441 PolarHBondContact O-N 2.98Å; F439-K442 WeakPolarHBondContact O-CB 3.19Å; F439-K442 PolarHBondContact O-N 2.82Å; F439-K442 VanDerWaalsContact O-N 3.13Å; F439-C443 VanDerWaalsContact CE1-SG 3.54Å; F439-C443 PolarHBondContact O-N 3.15Å; F439-C443 PolarHBondContact O-SG 2.85Å; F439-C443 VanDerWaalsContact O-SG 3.39Å |
| 440 | L | 90 | Very high | 88 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66 | -35.2 | 177.5 | -65.6 | 175.6 | 0 | 0 | 0 | 112.4 | I378 L401 L405 L436 V437 K442 C443 L444 | I378-L440 HydrophobicContact CB-CD2 4.35Å; I378-L440 HydrophobicContact CD1-CD1 4.36Å; I378-L440 HydrophobicContact CG2-CD2 3.79Å; L401-L440 HydrophobicContact CD1-CD1 4.19Å; L401-L440 HydrophobicContact CD2-CB 4.03Å; L401-L440 HydrophobicContact CD2-CD1 4.36Å; L405-L440 HydrophobicContact CD1-CD1 4.48Å; L405-L440 HydrophobicContact CD2-CD1 4.28Å; L436-L440 HydrophobicContact CD1-CD1 3.81Å; L436-L440 HydrophobicContact CD1-CD2 4.48Å; L436-L440 HydrophobicContact CD1-CG 3.98Å; L436-L440 HydrophobicContact CD2-CD1 4.29Å; L436-L440 HydrophobicContact CG-CD1 3.76Å; L436-L440 HydrophobicContact CG-CG 4.26Å; L436-L440 WeakPolarHBondContact O-CG 3.27Å; L436-L440 PolarHBondContact O-N 2.83Å; V437-L440 PolarHBondContact O-N 3.26Å; L440-K442 VanDerWaalsContact C-N 3.29Å; L440-K442 PolarHBondContact O-N 3.37Å; L440-C443 WeakPolarHBondContact O-CB 3.45Å; L440-C443 PolarHBondContact O-N 2.98Å; L440-C443 VanDerWaalsContact O-N 3.14Å; L440-L444 PolarHBondContact O-N 3.33Å |
| 441 | D | 86.9 | Confident | 87.8 | Confident | 21 Ų | 21 | 37 Ų | 37 | 11% | 0.112 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -54.3 | -47.1 | 170 | -74.9 | -29.7 | 0 | 0 | 0 | 110.3 | V437 F439 C443 L444 D445 W470 G471 K475 | V437-D441 WeakPolarHBondContact O-CB 3.38Å; V437-D441 VanDerWaalsContact O-CG 3.28Å; V437-D441 PolarHBondContact O-N 2.89Å; F439-D441 VanDerWaalsContact C-N 3.33Å; F439-D441 PolarHBondContact O-N 2.98Å; D441-C443 PolarHBondContact O-N 3.31Å; D441-L444 PolarHBondContact O-N 3.42Å; D441-D445 PolarHBondContact O-N 3.33Å; D441-W470 WeakPolarHBondContact OD1-CB 3.47Å; D441-G471 WeakPolarHBondContact OD1-CA 3.39Å; D441-G471 PolarHBondContact OD1-N 3.07Å; D441-K475 IonicContact OD2-NZ 2.72Å; D441-K475 PolarHBondContact OD2-NZ 2.82Å |
| 442 | K | 88 | Confident | 87.6 | Confident | 123 Ų | 123 | 40.1 Ų | 40.1 | 54% | 0.535 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.8 | -36.2 | 176.8 | -68.9 | 172.7 | -178.3 | 179.6 | 0 | 112.7 | I359 P438 F439 L440 L444 D445 V446 | I359-K442 HydrophobicContact CD1-CB 4.07Å; I359-K442 WeakPolarHBondContact CD1-O 3.36Å; P438-K442 WeakPolarHBondContact O-CG 3.42Å; P438-K442 PolarHBondContact O-N 3.09Å; F439-K442 WeakPolarHBondContact O-CB 3.19Å; F439-K442 PolarHBondContact O-N 2.82Å; F439-K442 VanDerWaalsContact O-N 3.13Å; L440-K442 VanDerWaalsContact C-N 3.29Å; L440-K442 PolarHBondContact O-N 3.37Å; K442-L444 VanDerWaalsContact C-N 3.34Å; K442-D445 PolarHBondContact O-N 3.31Å; K442-V446 PolarHBondContact O-N 2.69Å; K442-V446 VanDerWaalsContact O-N 3.11Å |
| 443 | C | 89 | Confident | 87.1 | Confident | 16 Ų | 16 | 40.8 Ų | 40.8 | 11% | 0.108 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.1 | -42.2 | 174.4 | -66.4 | 0 | 0 | 0 | 0 | 111.1 | F382 F439 L440 D441 D445 V446 L447 | F382-C443 HydrophobicContact CD2-CB 3.9Å; F382-C443 HydrophobicContact CE2-CB 4Å; F439-C443 VanDerWaalsContact CE1-SG 3.54Å; F439-C443 PolarHBondContact O-N 3.15Å; F439-C443 PolarHBondContact O-SG 2.85Å; F439-C443 VanDerWaalsContact O-SG 3.39Å; L440-C443 WeakPolarHBondContact O-CB 3.45Å; L440-C443 PolarHBondContact O-N 2.98Å; L440-C443 VanDerWaalsContact O-N 3.14Å; D441-C443 PolarHBondContact O-N 3.31Å; C443-D445 VanDerWaalsContact C-N 3.34Å; C443-V446 PolarHBondContact O-N 3.03Å; C443-L447 WeakPolarHBondContact O-CB 3.48Å; C443-L447 PolarHBondContact O-N 3.44Å |
| 444 | L | 87.5 | Confident | 86.9 | Confident | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.8 | -38.4 | 174.1 | -71 | 178.8 | 0 | 0 | 0 | 112.1 | F382 T397 A398 L401 L440 D441 K442 V446 L447 F448 W470 | F382-L444 HydrophobicContact CE2-CD2 4.21Å; F382-L444 HydrophobicContact CZ-CD2 3.85Å; T397-L444 HydrophobicContact CG2-CD2 3.76Å; A398-L444 HydrophobicContact CB-CD1 4.23Å; L401-L444 HydrophobicContact CD2-CD1 3.83Å; L401-L444 HydrophobicContact CD2-CG 4.25Å; L440-L444 PolarHBondContact O-N 3.33Å; D441-L444 PolarHBondContact O-N 3.42Å; K442-L444 VanDerWaalsContact C-N 3.34Å; L444-V446 VanDerWaalsContact C-N 3.26Å; L444-V446 PolarHBondContact O-N 3.49Å; L444-L447 PolarHBondContact O-N 3.31Å; L444-F448 HydrophobicContact CD2-CD2 4.44Å; L444-F448 HydrophobicContact CD2-CE2 4.34Å; L444-F448 PolarHBondContact O-N 3.09Å; L444-W470 HydrophobicContact CB-CG 4.35Å; L444-W470 HydrophobicContact CD1-CB 3.68Å; L444-W470 HydrophobicContact CD1-CD2 4.25Å; L444-W470 HydrophobicContact CD1-CG 3.73Å |
| 445 | D | 85.7 | Confident | 86.7 | Confident | 80 Ų | 80 | 39.6 Ų | 39.6 | 43% | 0.428 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64.7 | -30.5 | 176.2 | -69.7 | -23.2 | 0 | 0 | 0 | 112.8 | D441 K442 C443 F448 P449 W470 | D441-D445 PolarHBondContact O-N 3.33Å; K442-D445 PolarHBondContact O-N 3.31Å; C443-D445 VanDerWaalsContact C-N 3.34Å; D445-F448 CarbonylContact O-C 3.34Å; D445-P449 VanDerWaalsContact O-CA 3.29Å; D445-P449 WeakPolarHBondContact O-CA 3.49Å; D445-W470 PolarHBondContact OD1-NE1 3.38Å |
| 446 | V | 86.7 | Confident | 86.1 | Confident | 83 Ų | 83 | 42.5 Ų | 42.5 | 50% | 0.503 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -78.6 | -39.7 | 173.3 | 165.9 | 0 | 0 | 0 | 0 | 111.9 | I359 K442 C443 L444 F448 | I359-V446 HydrophobicContact CD1-CB 4.02Å; I359-V446 HydrophobicContact CD1-CG2 3.27Å; I359-V446 HydrophobicContact CG1-CG2 4.34Å; K442-V446 PolarHBondContact O-N 2.69Å; K442-V446 VanDerWaalsContact O-N 3.11Å; C443-V446 PolarHBondContact O-N 3.03Å; L444-V446 VanDerWaalsContact C-N 3.26Å; L444-V446 PolarHBondContact O-N 3.49Å; V446-F448 VanDerWaalsContact C-N 3.33Å |
| 447 | L | 88.7 | Confident | 85.5 | Confident | 21 Ų | 21 | 47.6 Ų | 47.6 | 11% | 0.11 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.1 | -38.4 | 177.6 | -167.8 | 63 | 0 | 0 | 0 | 111.5 | F382 H386 V389 T397 C443 L444 | F382-L447 HydrophobicContact CB-CD2 4.41Å; F382-L447 HydrophobicContact CD1-CD2 3.89Å; F382-L447 HydrophobicContact CE1-CD2 4.29Å; F382-L447 HydrophobicContact CG-CD2 4.09Å; H386-L447 HydrophobicContact CB-CD1 3.81Å; V389-L447 HydrophobicContact CG1-CD1 3.68Å; V389-L447 HydrophobicContact CG1-CG 3.93Å; T397-L447 HydrophobicContact CG2-CD2 4.44Å; C443-L447 WeakPolarHBondContact O-CB 3.48Å; C443-L447 PolarHBondContact O-N 3.44Å; L444-L447 PolarHBondContact O-N 3.31Å |
| 448 | F | 88.4 | Confident | 85.2 | Confident | 3 Ų | 3 | 51 Ų | 51 | 1% | 0.013 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -127.7 | 80.9 | 178.9 | -53.6 | -70.8 | 0 | 0 | 0 | 110.5 | V389 A394 T397 L444 D445 V446 A450 L453 | V389-F448 HydrophobicContact CB-CE1 4.45Å; V389-F448 HydrophobicContact CG1-CE1 3.87Å; V389-F448 HydrophobicContact CG1-CZ 4.18Å; V389-F448 HydrophobicContact CG2-CE1 3.75Å; V389-F448 HydrophobicContact CG2-CZ 3.68Å; A394-F448 HydrophobicContact CB-CB 4.03Å; A394-F448 HydrophobicContact CB-CD1 3.65Å; A394-F448 HydrophobicContact CB-CD2 3.88Å; A394-F448 HydrophobicContact CB-CE1 4Å; A394-F448 HydrophobicContact CB-CE2 4.22Å; A394-F448 HydrophobicContact CB-CG 3.57Å; A394-F448 HydrophobicContact CB-CZ 4.27Å; T397-F448 HydrophobicContact CG2-CE2 3.79Å; T397-F448 HydrophobicContact CG2-CZ 4.3Å; L444-F448 HydrophobicContact CD2-CD2 4.44Å; L444-F448 HydrophobicContact CD2-CE2 4.34Å; L444-F448 PolarHBondContact O-N 3.09Å; D445-F448 CarbonylContact O-C 3.34Å; V446-F448 VanDerWaalsContact C-N 3.33Å; F448-A450 PolarHBondContact O-N 3.25Å; F448-L453 HydrophobicContact CB-CD1 3.97Å; F448-L453 HydrophobicContact CB-CG 4.32Å |
| 449 | P | 86 | Confident | 85 | Confident | 49 Ų | 49 | 52.4 Ų | 52.4 | 32% | 0.318 | 31% | 0.312 | S | S | . | . | trans | -53.1 | 127.8 | 179.9 | -27.6 | 35.6 | 0 | 0 | 0 | 111.8 | D445 N451 N452 L453 | D445-P449 VanDerWaalsContact O-CA 3.29Å; D445-P449 WeakPolarHBondContact O-CA 3.49Å; P449-N451 PolarHBondContact O-N 3.16Å; P449-N452 WeakPolarHBondContact O-CB 3.37Å; P449-N452 PolarHBondContact O-N 2.93Å; P449-L453 PolarHBondContact O-N 3.24Å; P449-L453 VanDerWaalsContact O-N 3.17Å | ||
| 450 | A | 82.7 | Confident | 84.8 | Confident | 30 Ų | 30 | 54.9 Ų | 54.9 | 25% | 0.248 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -53.8 | -31 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | F448 L453 S454 L461 L464 | F448-A450 PolarHBondContact O-N 3.25Å; A450-L453 PolarHBondContact O-N 3.18Å; A450-S454 VanDerWaalsContact O-CB 3.31Å; A450-S454 WeakPolarHBondContact O-CB 3.42Å; A450-S454 PolarHBondContact O-N 3.24Å; A450-S454 PolarHBondContact O-OG 3.13Å; A450-L461 HydrophobicContact CB-CD1 3.63Å; A450-L464 HydrophobicContact CB-CD2 4Å; A450-L464 VanDerWaalsContact O-CD2 3.28Å; A450-L464 WeakPolarHBondContact O-CD2 3.44Å |
| 451 | N | 84.7 | Confident | 84.4 | Confident | 98 Ų | 98 | 57.8 Ų | 57.8 | 52% | 0.524 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.3 | -47.9 | 173.1 | -70 | -17.8 | 0 | 0 | 0 | 111.8 | P449 L453 S454 V455 L461 | P449-N451 PolarHBondContact O-N 3.16Å; N451-L453 PolarHBondContact O-N 3.03Å; N451-S454 PolarHBondContact O-N 3.43Å; N451-S454 PolarHBondContact O-OG 2.91Å; N451-V455 WeakPolarHBondContact O-CG2 3.43Å; N451-V455 PolarHBondContact O-N 3.3Å; N451-V455 VanDerWaalsContact O-N 3.11Å; N451-L461 VanDerWaalsContact OD1-CD2 3.3Å; N451-L461 WeakPolarHBondContact OD1-CD2 3.43Å |
| 452 | N | 84.5 | Confident | 84.1 | Confident | 83 Ų | 83 | 60 Ų | 60 | 44% | 0.444 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65 | -42.2 | 179.9 | -64.6 | -1.4 | 0 | 0 | 0 | 110.7 | V391 P449 V455 S456 | V391-N452 HydrophobicContact CG2-CB 4.42Å; P449-N452 WeakPolarHBondContact O-CB 3.37Å; P449-N452 PolarHBondContact O-N 2.93Å; N452-V455 PolarHBondContact O-N 3.12Å; N452-S456 WeakPolarHBondContact O-CB 2.84Å; N452-S456 PolarHBondContact O-N 2.99Å; N452-S456 PolarHBondContact O-OG 3.47Å; N452-S456 VanDerWaalsContact O-OG 3.12Å |
| 453 | L | 80 | Confident | 83.6 | Confident | 15 Ų | 15 | 56.6 Ų | 56.6 | 8% | 0.079 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.1 | -43.8 | 175.3 | -70 | 171.6 | 0 | 0 | 0 | 112.1 | V391 A394 F448 P449 A450 N451 V455 S456 L457 L464 W470 | V391-L453 HydrophobicContact CG1-CD2 3.59Å; V391-L453 HydrophobicContact CG1-CG 4.35Å; A394-L453 HydrophobicContact CB-CD2 3.6Å; F448-L453 HydrophobicContact CB-CD1 3.97Å; F448-L453 HydrophobicContact CB-CG 4.32Å; P449-L453 PolarHBondContact O-N 3.24Å; P449-L453 VanDerWaalsContact O-N 3.17Å; A450-L453 PolarHBondContact O-N 3.18Å; N451-L453 PolarHBondContact O-N 3.03Å; L453-V455 VanDerWaalsContact C-N 3.32Å; L453-V455 PolarHBondContact O-N 3.19Å; L453-S456 PolarHBondContact O-N 2.82Å; L453-L457 VanDerWaalsContact O-CB 3.29Å; L453-L457 WeakPolarHBondContact O-CB 3.1Å; L453-L457 VanDerWaalsContact O-CG 3.28Å; L453-L457 WeakPolarHBondContact O-CG 3.32Å; L453-L457 PolarHBondContact O-N 2.93Å; L453-L464 HydrophobicContact CB-CD2 3.77Å; L453-W470 HydrophobicContact CD1-CH2 4.23Å; L453-W470 HydrophobicContact CD1-CZ2 3.82Å |
| 454 | S | 81.1 | Confident | 82.9 | Confident | 13 Ų | 13 | 56.3 Ų | 56.3 | 9% | 0.091 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.6 | -40.7 | -179.7 | 74.5 | 0 | 0 | 0 | 0 | 112.1 | A450 N451 G458 I459 | A450-S454 VanDerWaalsContact O-CB 3.31Å; A450-S454 WeakPolarHBondContact O-CB 3.42Å; A450-S454 PolarHBondContact O-N 3.24Å; A450-S454 PolarHBondContact O-OG 3.13Å; N451-S454 PolarHBondContact O-N 3.43Å; N451-S454 PolarHBondContact O-OG 2.91Å; S454-G458 PolarHBondContact O-N 3.31Å; S454-I459 WeakPolarHBondContact CB-O 3.3Å; S454-I459 PolarHBondContact O-N 3.07Å; S454-I459 VanDerWaalsContact O-N 3.1Å; S454-I459 VanDerWaalsContact O-O 3.13Å |
| 455 | V | 84.5 | Confident | 82.3 | Confident | 117 Ų | 117 | 61.5 Ų | 61.5 | 71% | 0.709 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -67.3 | -48.5 | 176.9 | 173.7 | 0 | 0 | 0 | 0 | 110.6 | N451 N452 L453 L457 G458 | N451-V455 WeakPolarHBondContact O-CG2 3.43Å; N451-V455 PolarHBondContact O-N 3.3Å; N451-V455 VanDerWaalsContact O-N 3.11Å; N452-V455 PolarHBondContact O-N 3.12Å; L453-V455 VanDerWaalsContact C-N 3.32Å; L453-V455 PolarHBondContact O-N 3.19Å; V455-L457 VanDerWaalsContact C-N 3.32Å; V455-L457 PolarHBondContact O-N 3.09Å; V455-G458 PolarHBondContact O-N 3.45Å |
| 456 | S | 77.1 | Confident | 81.5 | Confident | 87 Ų | 87 | 65.4 Ų | 65.4 | 61% | 0.608 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -63.9 | -35.4 | -179.7 | -64.7 | 0 | 0 | 0 | 0 | 113.2 | N452 L453 | N452-S456 WeakPolarHBondContact O-CB 2.84Å; N452-S456 PolarHBondContact O-N 2.99Å; N452-S456 PolarHBondContact O-OG 3.47Å; N452-S456 VanDerWaalsContact O-OG 3.12Å; L453-S456 PolarHBondContact O-N 2.82Å |
| 457 | L | 77.9 | Confident | 80.5 | Confident | 108 Ų | 108 | 69 Ų | 69 | 57% | 0.565 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -85.1 | -11.6 | 178.9 | -68 | 171.7 | 0 | 0 | 0 | 113.5 | L453 V455 I459 L464 | L453-L457 VanDerWaalsContact O-CB 3.29Å; L453-L457 WeakPolarHBondContact O-CB 3.1Å; L453-L457 VanDerWaalsContact O-CG 3.28Å; L453-L457 WeakPolarHBondContact O-CG 3.32Å; L453-L457 PolarHBondContact O-N 2.93Å; V455-L457 VanDerWaalsContact C-N 3.32Å; V455-L457 PolarHBondContact O-N 3.09Å; L457-I459 VanDerWaalsContact C-N 3.31Å; L457-I459 HydrophobicContact CB-CD1 4.22Å; L457-I459 HydrophobicContact CB-CG1 3.85Å; L457-I459 HydrophobicContact CD1-CD1 4.1Å; L457-I459 HydrophobicContact CD1-CG1 4.5Å; L457-I459 PolarHBondContact O-N 3.39Å; L457-L464 HydrophobicContact CD1-CD1 3.92Å |
| 458 | G | 81.9 | Confident | 79.2 | Confident | 71 Ų | 71 | 70.4 Ų | 70.4 | 73% | 0.732 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.1 | 28.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | S454 V455 | S454-G458 PolarHBondContact O-N 3.31Å; V455-G458 PolarHBondContact O-N 3.45Å |
| 459 | I | 83.9 | Confident | 77.9 | Confident | 68 Ų | 68 | 72.7 Ų | 72.7 | 35% | 0.349 | 43% | 0.43 | S | S | . | . | trans | -118.4 | 156 | 179.2 | 59.3 | 174.1 | 0 | 0 | 0 | 111.5 | S454 L457 L464 | S454-I459 WeakPolarHBondContact CB-O 3.3Å; S454-I459 PolarHBondContact O-N 3.07Å; S454-I459 VanDerWaalsContact O-N 3.1Å; S454-I459 VanDerWaalsContact O-O 3.13Å; L457-I459 VanDerWaalsContact C-N 3.31Å; L457-I459 HydrophobicContact CB-CD1 4.22Å; L457-I459 HydrophobicContact CB-CG1 3.85Å; L457-I459 HydrophobicContact CD1-CD1 4.1Å; L457-I459 HydrophobicContact CD1-CG1 4.5Å; L457-I459 PolarHBondContact O-N 3.39Å; I459-L464 HydrophobicContact CD1-CB 4.14Å; I459-L464 HydrophobicContact CD1-CD1 3.79Å | ||
| 460 | S | 84.9 | Confident | 76.8 | Confident | 64 Ų | 64 | 72.7 Ų | 72.7 | 45% | 0.448 | 42% | 0.424 | S | S | . | . | trans | -67.3 | 144.1 | 177.6 | 88.5 | 0 | 0 | 0 | 0 | 111.6 | A462 T463 L464 | S460-A462 PolarHBondContact O-N 3.49Å; S460-T463 WeakPolarHBondContact O-CB 3.42Å; S460-T463 PolarHBondContact O-N 3Å; S460-T463 PolarHBondContact OG-N 3.49Å; S460-T463 VanDerWaalsContact OG-N 3.17Å; S460-T463 PolarHBondContact OG-OG1 3.01Å; S460-L464 PolarHBondContact O-N 3.31Å | ||
| 461 | L | 81.4 | Confident | 75.5 | Confident | 62 Ų | 62 | 71.5 Ų | 71.5 | 33% | 0.325 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -54.8 | -39.9 | 176.3 | -178.4 | 67.5 | 0 | 0 | 0 | 112.1 | A450 N451 T463 L464 I465 | A450-L461 HydrophobicContact CB-CD1 3.63Å; N451-L461 VanDerWaalsContact OD1-CD2 3.3Å; N451-L461 WeakPolarHBondContact OD1-CD2 3.43Å; L461-T463 VanDerWaalsContact C-N 3.32Å; L461-T463 PolarHBondContact O-N 2.95Å; L461-L464 PolarHBondContact O-N 3.45Å; L461-I465 HydrophobicContact CD1-CD1 4.06Å; L461-I465 HydrophobicContact CD1-CG1 4.29Å; L461-I465 HydrophobicContact CD2-CD1 4.32Å; L461-I465 HydrophobicContact CG-CD1 3.78Å; L461-I465 HydrophobicContact CG-CG1 4.38Å; L461-I465 WeakPolarHBondContact O-CG1 3.28Å; L461-I465 PolarHBondContact O-N 3.04Å |
| 462 | A | 81 | Confident | 74.3 | Confident | 66 Ų | 66 | 71.8 Ų | 71.8 | 55% | 0.545 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.6 | -40.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S460 Q466 | S460-A462 PolarHBondContact O-N 3.49Å; A462-Q466 WeakPolarHBondContact O-CG 3.36Å; A462-Q466 PolarHBondContact O-N 3.4Å |
| 463 | T | 79.1 | Confident | 72.9 | Confident | 53 Ų | 53 | 72.4 Ų | 72.4 | 33% | 0.325 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -67.2 | -38.6 | 175.8 | -50.1 | 0 | 0 | 0 | 0 | 111.7 | S460 L461 K467 | S460-T463 WeakPolarHBondContact O-CB 3.42Å; S460-T463 PolarHBondContact O-N 3Å; S460-T463 PolarHBondContact OG-N 3.49Å; S460-T463 VanDerWaalsContact OG-N 3.17Å; S460-T463 PolarHBondContact OG-OG1 3.01Å; L461-T463 VanDerWaalsContact C-N 3.32Å; L461-T463 PolarHBondContact O-N 2.95Å; T463-K467 HydrophobicContact CG2-CD 4.33Å; T463-K467 WeakPolarHBondContact O-CG 3.45Å; T463-K467 PolarHBondContact O-N 3.06Å |
| 464 | L | 73.9 | Confident | 71.6 | Confident | 10 Ų | 10 | 71.7 Ų | 71.7 | 5% | 0.052 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -64.8 | -51.1 | 177.8 | -174.4 | 76.4 | 0 | 0 | 0 | 111 | A450 L453 L457 I459 S460 L461 Q466 K467 V468 | A450-L464 HydrophobicContact CB-CD2 4Å; A450-L464 VanDerWaalsContact O-CD2 3.28Å; A450-L464 WeakPolarHBondContact O-CD2 3.44Å; L453-L464 HydrophobicContact CB-CD2 3.77Å; L457-L464 HydrophobicContact CD1-CD1 3.92Å; I459-L464 HydrophobicContact CD1-CB 4.14Å; I459-L464 HydrophobicContact CD1-CD1 3.79Å; S460-L464 PolarHBondContact O-N 3.31Å; L461-L464 PolarHBondContact O-N 3.45Å; L464-Q466 VanDerWaalsContact C-N 3.28Å; L464-Q466 PolarHBondContact O-N 3.35Å; L464-K467 PolarHBondContact O-N 3.05Å; L464-V468 HydrophobicContact CD1-CB 4.5Å; L464-V468 HydrophobicContact CD1-CG2 3.5Å; L464-V468 HydrophobicContact CG-CG2 3.98Å; L464-V468 WeakPolarHBondContact O-CB 3.41Å; L464-V468 PolarHBondContact O-N 3.41Å |
| 465 | I | 74.6 | Confident | 70.6 | Confident | 110 Ų | 110 | 73.9 Ų | 73.9 | 56% | 0.564 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -60.6 | -36 | -178 | -66.9 | 168.9 | 0 | 0 | 0 | 111.9 | L461 K467 | L461-I465 HydrophobicContact CD1-CD1 4.06Å; L461-I465 HydrophobicContact CD1-CG1 4.29Å; L461-I465 HydrophobicContact CD2-CD1 4.32Å; L461-I465 HydrophobicContact CG-CD1 3.78Å; L461-I465 HydrophobicContact CG-CG1 4.38Å; L461-I465 WeakPolarHBondContact O-CG1 3.28Å; L461-I465 PolarHBondContact O-N 3.04Å; I465-K467 VanDerWaalsContact C-N 3.3Å; I465-K467 PolarHBondContact O-N 2.82Å |
| 466 | Q | 68.9 | Low | 69.6 | Low | 163 Ų | 163 | 73.4 Ų | 73.4 | 76% | 0.762 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -67.8 | -30.4 | 175.9 | -76.5 | -177.6 | -6 | 0 | 0 | 113.2 | A462 L464 | A462-Q466 WeakPolarHBondContact O-CG 3.36Å; A462-Q466 PolarHBondContact O-N 3.4Å; L464-Q466 VanDerWaalsContact C-N 3.28Å; L464-Q466 PolarHBondContact O-N 3.35Å |
| 467 | K | 64.6 | Low | 68.7 | Low | 157 Ų | 157 | 71.6 Ų | 71.6 | 68% | 0.683 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -94.1 | -39.3 | -174.5 | -72 | -173.4 | 175.8 | -172.7 | 0 | 112.9 | T463 L464 I465 | T463-K467 HydrophobicContact CG2-CD 4.33Å; T463-K467 WeakPolarHBondContact O-CG 3.45Å; T463-K467 PolarHBondContact O-N 3.06Å; L464-K467 PolarHBondContact O-N 3.05Å; I465-K467 VanDerWaalsContact C-N 3.3Å; I465-K467 PolarHBondContact O-N 2.82Å |
| 468 | V | 61.5 | Low | 67.9 | Low | 51 Ų | 51 | 66.5 Ų | 66.5 | 31% | 0.309 | 37% | 0.369 | S | S | . | . | trans | -94.8 | 105.2 | -171.8 | -176.4 | 0 | 0 | 0 | 0 | 109.7 | L464 W470 | L464-V468 HydrophobicContact CD1-CB 4.5Å; L464-V468 HydrophobicContact CD1-CG2 3.5Å; L464-V468 HydrophobicContact CG-CG2 3.98Å; L464-V468 WeakPolarHBondContact O-CB 3.41Å; L464-V468 PolarHBondContact O-N 3.41Å; V468-W470 HydrophobicContact CG1-CD2 3.68Å; V468-W470 VanDerWaalsContact CG1-CE2 3.44Å; V468-W470 HydrophobicContact CG1-CE3 3.97Å; V468-W470 HydrophobicContact CG1-CG 4.31Å; V468-W470 HydrophobicContact CG1-CH2 3.96Å; V468-W470 HydrophobicContact CG1-CZ2 3.61Å; V468-W470 HydrophobicContact CG1-CZ3 4.12Å | ||
| 469 | S | 62.5 | Low | 67.2 | Low | 51 Ų | 51 | 65.1 Ų | 65.1 | 36% | 0.357 | 35% | 0.349 | S | S | . | . | trans | -128.1 | 112.4 | 153.4 | 68.1 | 0 | 0 | 0 | 0 | 106 | G471 K472 | S469-G471 PolarHBondContact O-N 3.25Å; S469-K472 WeakPolarHBondContact OG-CD 3.49Å; S469-K472 WeakPolarHBondContact OG-CE 3.43Å; S469-K472 WeakPolarHBondContact OG-CG 3.49Å; S469-K472 PolarHBondContact OG-NZ 3.37Å | ||
| 470 | W | 62.9 | Low | 66.4 | Low | 50 Ų | 50 | 64.9 Ų | 64.9 | 19% | 0.189 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -44.5 | -168.7 | -53.4 | 107.7 | 0 | 0 | 0 | 112 | A394 A398 D441 L444 D445 L453 V468 K472 | A394-W470 HydrophobicContact CB-CH2 4.29Å; A398-W470 HydrophobicContact CB-CD2 4.02Å; A398-W470 HydrophobicContact CB-CE3 3.2Å; A398-W470 HydrophobicContact CB-CZ3 3.58Å; D441-W470 WeakPolarHBondContact OD1-CB 3.47Å; L444-W470 HydrophobicContact CB-CG 4.35Å; L444-W470 HydrophobicContact CD1-CB 3.68Å; L444-W470 HydrophobicContact CD1-CD2 4.25Å; L444-W470 HydrophobicContact CD1-CG 3.73Å; D445-W470 PolarHBondContact OD1-NE1 3.38Å; L453-W470 HydrophobicContact CD1-CH2 4.23Å; L453-W470 HydrophobicContact CD1-CZ2 3.82Å; V468-W470 HydrophobicContact CG1-CD2 3.68Å; V468-W470 VanDerWaalsContact CG1-CE2 3.44Å; V468-W470 HydrophobicContact CG1-CE3 3.97Å; V468-W470 HydrophobicContact CG1-CG 4.31Å; V468-W470 HydrophobicContact CG1-CH2 3.96Å; V468-W470 HydrophobicContact CG1-CZ2 3.61Å; V468-W470 HydrophobicContact CG1-CZ3 4.12Å; W470-K472 PolarHBondContact O-N 3.14Å |
| 471 | G | 55.4 | Low | 65.6 | Low | 4 Ų | 4 | 65.2 Ų | 65.2 | 4% | 0.041 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 28.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | D441 S469 I473 K475 | D441-G471 WeakPolarHBondContact OD1-CA 3.39Å; D441-G471 PolarHBondContact OD1-N 3.07Å; S469-G471 PolarHBondContact O-N 3.25Å; G471-I473 PolarHBondContact O-N 3.19Å; G471-K475 PolarHBondContact O-N 2.72Å |
| 472 | K | 59 | Low | 65 | Low | 105 Ų | 105 | 62.4 Ų | 62.4 | 46% | 0.457 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.2 | -39.7 | -177.9 | -110.8 | 165.1 | -166.8 | 160.2 | 0 | 113.5 | S469 W470 N476 | S469-K472 WeakPolarHBondContact OG-CD 3.49Å; S469-K472 WeakPolarHBondContact OG-CE 3.43Å; S469-K472 WeakPolarHBondContact OG-CG 3.49Å; S469-K472 PolarHBondContact OG-NZ 3.37Å; W470-K472 PolarHBondContact O-N 3.14Å; K472-N476 WeakPolarHBondContact O-CB 3.35Å; K472-N476 PolarHBondContact O-N 3.25Å; K472-N476 PolarHBondContact O-ND2 3.42Å; K472-N476 VanDerWaalsContact O-ND2 3.14Å |
| 473 | I | 54.2 | Low | 64.3 | Low | 95 Ų | 95 | 62.3 Ų | 62.3 | 49% | 0.487 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -69 | -53.1 | -172 | -65.7 | 169.7 | 0 | 0 | 0 | 110.4 | D402 G471 K475 N476 V477 | D402-I473 WeakPolarHBondContact OD2-CD1 3.24Å; G471-I473 PolarHBondContact O-N 3.19Å; I473-K475 PolarHBondContact O-N 2.84Å; I473-N476 PolarHBondContact O-N 2.9Å; I473-V477 HydrophobicContact CG2-CG2 4.41Å; I473-V477 WeakPolarHBondContact O-CG2 3.37Å; I473-V477 PolarHBondContact O-N 3.31Å |
| 474 | V | 54.3 | Low | 63.5 | Low | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.006 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.4 | -45.8 | -178.1 | 179 | 0 | 0 | 0 | 0 | 111.8 | D402 L405 V409 V432 V437 N476 V477 C478 | D402-V474 WeakPolarHBondContact OD1-CG2 3.07Å; L405-V474 HydrophobicContact CB-CB 4.38Å; L405-V474 HydrophobicContact CB-CG1 4.13Å; L405-V474 HydrophobicContact CB-CG2 3.41Å; L405-V474 VanDerWaalsContact CB-CG2 3.41Å; L405-V474 HydrophobicContact CD1-CG2 4.02Å; L405-V474 HydrophobicContact CG-CG2 4.36Å; V409-V474 HydrophobicContact CG2-CG1 3.96Å; V432-V474 HydrophobicContact CG1-CG1 4.47Å; V437-V474 HydrophobicContact CG2-CB 4.23Å; V437-V474 HydrophobicContact CG2-CG1 3.7Å; V474-N476 VanDerWaalsContact C-N 3.33Å; V474-N476 PolarHBondContact O-N 3.18Å; V474-V477 PolarHBondContact O-N 3.08Å; V474-C478 WeakPolarHBondContact O-CB 3.49Å; V474-C478 PolarHBondContact O-N 2.96Å |
| 475 | K | 59.6 | Low | 62.7 | Low | 58 Ų | 58 | 65 Ų | 65 | 25% | 0.252 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -55.9 | -49.1 | 175.8 | -78.6 | 171.7 | 176.7 | 152.1 | 0 | 110.9 | E433 V437 D441 G471 I473 V477 S479 | E433-K475 HydrophobicContact CG-CB 4.42Å; E433-K475 HydrophobicContact CG-CG 4.18Å; V437-K475 HydrophobicContact CB-CG 4.4Å; V437-K475 HydrophobicContact CG1-CD 4.22Å; V437-K475 HydrophobicContact CG1-CG 4.04Å; D441-K475 IonicContact OD2-NZ 2.72Å; D441-K475 PolarHBondContact OD2-NZ 2.82Å; G471-K475 PolarHBondContact O-N 2.72Å; I473-K475 PolarHBondContact O-N 2.84Å; K475-V477 PolarHBondContact O-N 3.03Å; K475-S479 WeakPolarHBondContact O-CB 3.31Å; K475-S479 PolarHBondContact O-N 3.14Å |
| 476 | N | 63.7 | Low | 61.9 | Low | 107 Ų | 107 | 64.4 Ų | 64.4 | 57% | 0.572 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -63.1 | -39.4 | -179.8 | -70.2 | -18.6 | 0 | 0 | 0 | 112.8 | K472 I473 V474 A480 | K472-N476 WeakPolarHBondContact O-CB 3.35Å; K472-N476 PolarHBondContact O-N 3.25Å; K472-N476 PolarHBondContact O-ND2 3.42Å; K472-N476 VanDerWaalsContact O-ND2 3.14Å; I473-N476 PolarHBondContact O-N 2.9Å; V474-N476 VanDerWaalsContact C-N 3.33Å; V474-N476 PolarHBondContact O-N 3.18Å; N476-A480 WeakPolarHBondContact O-CB 3.45Å; N476-A480 PolarHBondContact O-N 3.19Å |
| 477 | V | 58.7 | Low | 61.5 | Low | 50 Ų | 50 | 56.8 Ų | 56.8 | 30% | 0.303 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -73 | -45.1 | -179.1 | 179.3 | 0 | 0 | 0 | 0 | 111.6 | V409 I473 V474 K475 A480 Y481 | V409-V477 HydrophobicContact CG1-CB 4.44Å; V409-V477 HydrophobicContact CG1-CG1 3.64Å; I473-V477 HydrophobicContact CG2-CG2 4.41Å; I473-V477 WeakPolarHBondContact O-CG2 3.37Å; I473-V477 PolarHBondContact O-N 3.31Å; V474-V477 PolarHBondContact O-N 3.08Å; K475-V477 PolarHBondContact O-N 3.03Å; V477-A480 PolarHBondContact O-N 3.36Å; V477-Y481 WeakPolarHBondContact O-CB 3.39Å; V477-Y481 PolarHBondContact O-N 3.14Å |
| 478 | C | 61 | Low | 61.1 | Low | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60 | -47.9 | 174.7 | -82.3 | 0 | 0 | 0 | 0 | 111.1 | V409 E433 V474 Y481 F482 | V409-C478 WeakPolarHBondContact CG2-SG 3.45Å; E433-C478 HydrophobicContact CB-CB 4.01Å; E433-C478 HydrophobicContact CG-CB 4.38Å; E433-C478 WeakPolarHBondContact OE2-CB 3.35Å; V474-C478 WeakPolarHBondContact O-CB 3.49Å; V474-C478 PolarHBondContact O-N 2.96Å; C478-Y481 PolarHBondContact O-N 3.1Å; C478-F482 WeakPolarHBondContact O-CB 3.22Å; C478-F482 PolarHBondContact O-N 3.44Å |
| 479 | S | 67.5 | Low | 60.6 | Low | 43 Ų | 43 | 49.4 Ų | 49.4 | 30% | 0.301 | 28% | 0.283 | S | S | . | . | I | π-helix | trans | -62.2 | -49.4 | -179.9 | -148.4 | 0 | 0 | 0 | 0 | 110.5 | E433 K475 Y481 L483 G484 | E433-S479 WeakPolarHBondContact OE1-CB 3.35Å; E433-S479 PolarHBondContact OE1-OG 3.38Å; E433-S479 VanDerWaalsContact OE2-CA 3.28Å; E433-S479 WeakPolarHBondContact OE2-CA 3.44Å; E433-S479 PolarHBondContact OE2-N 3.46Å; K475-S479 WeakPolarHBondContact O-CB 3.31Å; K475-S479 PolarHBondContact O-N 3.14Å; S479-Y481 PolarHBondContact O-N 3.34Å; S479-L483 CarbonylContact O-C 3.5Å; S479-L483 WeakPolarHBondContact O-CA 3.47Å; S479-L483 PolarHBondContact O-N 3.44Å; S479-G484 WeakPolarHBondContact O-CA 3.06Å; S479-G484 PolarHBondContact O-N 3.45Å |
| 480 | A | 66.2 | Low | 60.1 | Low | 63 Ų | 63 | 53 Ų | 53 | 52% | 0.521 | 29% | 0.292 | S | S | . | . | I | π-helix | trans | -64.5 | -42.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | N476 V477 | N476-A480 WeakPolarHBondContact O-CB 3.45Å; N476-A480 PolarHBondContact O-N 3.19Å; V477-A480 PolarHBondContact O-N 3.36Å |
| 481 | Y | 68 | Low | 59.8 | Low | 71 Ų | 71 | 55.5 Ų | 55.5 | 28% | 0.278 | 31% | 0.309 | S | S | . | . | I | π-helix | trans | -81.4 | -49.2 | -176.1 | -159.5 | -98.9 | 0 | 0 | 0 | 112 | K413 E417 V477 C478 S479 S487 P488 | K413-Y481 HydrophobicContact CB-CE1 4.07Å; K413-Y481 HydrophobicContact CD-CD1 4.39Å; K413-Y481 HydrophobicContact CD-CE1 4.37Å; K413-Y481 HydrophobicContact CD-CG 4.46Å; K413-Y481 HydrophobicContact CG-CD1 3.74Å; K413-Y481 HydrophobicContact CG-CE1 3.69Å; K413-Y481 HydrophobicContact CG-CG 4.26Å; E417-Y481 PolarHBondContact OE1-OH 2.84Å; V477-Y481 WeakPolarHBondContact O-CB 3.39Å; V477-Y481 PolarHBondContact O-N 3.14Å; C478-Y481 PolarHBondContact O-N 3.1Å; S479-Y481 PolarHBondContact O-N 3.34Å; Y481-S487 WeakPolarHBondContact O-CA 3.43Å; Y481-S487 WeakPolarHBondContact O-CB 3.13Å; Y481-P488 HydrophobicContact CD1-CG 4.39Å; Y481-P488 HydrophobicContact CE1-CG 3.97Å; Y481-P488 HydrophobicContact CE2-CG 4.42Å; Y481-P488 WeakPolarHBondContact O-CD 3.49Å |
| 482 | F | 69.2 | Low | 59.6 | Low | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.009 | 32% | 0.32 | C | S | . | . | I | π-helix | trans | -93.9 | -33.8 | -172.3 | -61.4 | -74.7 | 0 | 0 | 0 | 113.6 | L412 K413 F416 A429 C478 S487 L489 | L412-F482 HydrophobicContact CB-CE2 4.31Å; L412-F482 HydrophobicContact CB-CZ 3.9Å; K413-F482 HydrophobicContact CG-CE2 4.34Å; K413-F482 HydrophobicContact CG-CZ 3.93Å; F416-F482 HydrophobicContact CB-CE1 3.91Å; F416-F482 HydrophobicContact CD2-CD1 4.42Å; F416-F482 HydrophobicContact CD2-CE1 4.27Å; F416-F482 HydrophobicContact CG-CE1 4.07Å; A429-F482 HydrophobicContact CB-CB 4.28Å; A429-F482 HydrophobicContact CB-CD1 4.4Å; A429-F482 HydrophobicContact CB-CD2 3.67Å; A429-F482 HydrophobicContact CB-CE2 4.06Å; A429-F482 HydrophobicContact CB-CG 3.86Å; C478-F482 WeakPolarHBondContact O-CB 3.22Å; C478-F482 PolarHBondContact O-N 3.44Å; F482-S487 WeakPolarHBondContact O-CB 3.37Å; F482-S487 PolarHBondContact O-OG 2.87Å; F482-L489 WeakPolarHBondContact O-CB 3.26Å; F482-L489 WeakPolarHBondContact O-CD1 3.4Å |
| 483 | L | 66.6 | Low | 59.2 | Low | 64 Ų | 64 | 59 Ų | 59 | 34% | 0.335 | 32% | 0.322 | S | S | . | . | I | π-helix | trans | -111.7 | -15.8 | -170 | -56.1 | 179.7 | 0 | 0 | 0 | 114.7 | T430 E433 S479 L489 | T430-L483 HydrophobicContact CG2-CD1 4.28Å; T430-L483 WeakPolarHBondContact OG1-CD2 3.3Å; E433-L483 VanDerWaalsContact OE2-CD1 3.28Å; E433-L483 WeakPolarHBondContact OE2-CD1 3.16Å; S479-L483 CarbonylContact O-C 3.5Å; S479-L483 WeakPolarHBondContact O-CA 3.47Å; S479-L483 PolarHBondContact O-N 3.44Å; L483-L489 HydrophobicContact CD2-CD1 4.5Å |
| 484 | G | 61 | Low | 59 | Low | 9 Ų | 9 | 56.4 Ų | 56.4 | 9% | 0.093 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -68.5 | 166.7 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | S479 S486 S487 | S479-G484 WeakPolarHBondContact O-CA 3.06Å; S479-G484 PolarHBondContact O-N 3.45Å; G484-S486 PolarHBondContact O-N 3.44Å; G484-S486 VanDerWaalsContact O-N 3.16Å; G484-S487 WeakPolarHBondContact O-CB 3.48Å; G484-S487 PolarHBondContact O-N 3.43Å; G484-S487 PolarHBondContact O-OG 2.94Å |
| 485 | P | 58.4 | Low | 58.9 | Low | 110 Ų | 110 | 62.7 Ų | 62.7 | 71% | 0.714 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -25.9 | -178.5 | 22.5 | -31.5 | 0 | 0 | 0 | 113.5 | K490 | P485-K490 VanDerWaalsContact O-CD 3.3Å; P485-K490 WeakPolarHBondContact O-CD 3.31Å |
| 486 | S | 56.1 | Low | 58.3 | Low | 99 Ų | 99 | 64.7 Ų | 64.7 | 69% | 0.692 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | 15.4 | 176.3 | 51.4 | 0 | 0 | 0 | 0 | 113.6 | G484 | G484-S486 PolarHBondContact O-N 3.44Å; G484-S486 VanDerWaalsContact O-N 3.16Å |
| 487 | S | 60.4 | Low | 57.3 | Low | 3 Ų | 3 | 65.6 Ų | 65.6 | 2% | 0.021 | 35% | 0.352 | C | S | . | . | trans | -65.3 | 147.8 | -176 | 59.6 | 0 | 0 | 0 | 0 | 112.4 | Y481 F482 G484 L489 K490 N491 | Y481-S487 WeakPolarHBondContact O-CA 3.43Å; Y481-S487 WeakPolarHBondContact O-CB 3.13Å; F482-S487 WeakPolarHBondContact O-CB 3.37Å; F482-S487 PolarHBondContact O-OG 2.87Å; G484-S487 WeakPolarHBondContact O-CB 3.48Å; G484-S487 PolarHBondContact O-N 3.43Å; G484-S487 PolarHBondContact O-OG 2.94Å; S487-L489 PolarHBondContact O-N 2.94Å; S487-K490 PolarHBondContact O-N 2.85Å; S487-N491 PolarHBondContact O-N 3.3Å | ||
| 488 | P | 57.1 | Low | 56.6 | Low | 34 Ų | 34 | 66.3 Ų | 66.3 | 22% | 0.221 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -55 | -24.6 | 170.6 | -23.3 | 35.7 | 0 | 0 | 0 | 112.3 | F416 Y481 N491 Y492 | F416-P488 HydrophobicContact CD1-CB 4.35Å; F416-P488 HydrophobicContact CE1-CB 3.38Å; F416-P488 HydrophobicContact CE1-CG 4.22Å; F416-P488 HydrophobicContact CZ-CB 3.76Å; Y481-P488 HydrophobicContact CD1-CG 4.39Å; Y481-P488 HydrophobicContact CE1-CG 3.97Å; Y481-P488 HydrophobicContact CE2-CG 4.42Å; Y481-P488 WeakPolarHBondContact O-CD 3.49Å; P488-N491 CarbonylContact O-C 3.6Å; P488-N491 PolarHBondContact O-N 3.42Å; P488-Y492 WeakPolarHBondContact O-CB 3.42Å; P488-Y492 PolarHBondContact O-N 2.79Å |
| 489 | L | 50.5 | Low | 55.8 | Low | 19 Ų | 19 | 70.4 Ų | 70.4 | 10% | 0.099 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.1 | -44.5 | 175.7 | -167.8 | 165.8 | 0 | 0 | 0 | 112.7 | I426 F482 L483 S487 Y492 K493 | I426-L489 HydrophobicContact CB-CD1 3.97Å; I426-L489 HydrophobicContact CD1-CB 3.97Å; I426-L489 HydrophobicContact CD1-CD1 3.32Å; I426-L489 HydrophobicContact CD1-CD2 4.48Å; I426-L489 HydrophobicContact CD1-CG 3.28Å; I426-L489 HydrophobicContact CG1-CD1 3.57Å; I426-L489 HydrophobicContact CG1-CG 4.07Å; I426-L489 HydrophobicContact CG2-CD1 3.2Å; I426-L489 HydrophobicContact CG2-CG 4.35Å; F482-L489 WeakPolarHBondContact O-CB 3.26Å; F482-L489 WeakPolarHBondContact O-CD1 3.4Å; L483-L489 HydrophobicContact CD2-CD1 4.5Å; S487-L489 PolarHBondContact O-N 2.94Å; L489-Y492 PolarHBondContact O-N 3.24Å; L489-K493 HydrophobicContact CD2-CD 3.64Å; L489-K493 HydrophobicContact CD2-CG 4.13Å; L489-K493 WeakPolarHBondContact O-CB 3.49Å; L489-K493 WeakPolarHBondContact O-CG 3.48Å; L489-K493 PolarHBondContact O-N 3.37Å |
| 490 | K | 53.4 | Low | 54.5 | Low | 125 Ų | 125 | 75.6 Ų | 75.6 | 54% | 0.543 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65.4 | -43.8 | 174.6 | -112.2 | -177 | 177.5 | -174.4 | 0 | 110.8 | P485 S487 Y492 K493 A494 | P485-K490 VanDerWaalsContact O-CD 3.3Å; P485-K490 WeakPolarHBondContact O-CD 3.31Å; S487-K490 PolarHBondContact O-N 2.85Å; K490-Y492 VanDerWaalsContact C-N 3.32Å; K490-Y492 PolarHBondContact O-N 3.27Å; K490-K493 PolarHBondContact O-N 2.9Å; K490-A494 WeakPolarHBondContact O-CB 3.19Å; K490-A494 PolarHBondContact O-N 3.17Å |
| 491 | N | 55.7 | Low | 53.2 | Low | 103 Ų | 103 | 75 Ų | 75 | 55% | 0.551 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -61.9 | -40.8 | 175.9 | -71.5 | -21.4 | 0 | 0 | 0 | 111.7 | S487 P488 Q495 | S487-N491 PolarHBondContact O-N 3.3Å; P488-N491 CarbonylContact O-C 3.6Å; P488-N491 PolarHBondContact O-N 3.42Å; N491-Q495 WeakPolarHBondContact O-CB 3.49Å; N491-Q495 WeakPolarHBondContact O-CG 3.49Å; N491-Q495 PolarHBondContact O-N 3.31Å |
| 492 | Y | 50.3 | Low | 52 | Low | 67 Ų | 67 | 75.7 Ų | 75.7 | 26% | 0.263 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -69.2 | -47 | 177.9 | -174.1 | -93.7 | 0 | 0 | 0 | 111.5 | P422 P488 L489 K490 A494 Q495 R496 | P422-Y492 HydrophobicContact CB-CE1 4.43Å; P422-Y492 HydrophobicContact CG-CD1 3.7Å; P422-Y492 HydrophobicContact CG-CD2 4.13Å; P422-Y492 HydrophobicContact CG-CE1 3.21Å; P422-Y492 HydrophobicContact CG-CE2 3.68Å; P422-Y492 HydrophobicContact CG-CG 4.15Å; P422-Y492 WeakPolarHBondContact CG-OH 3.1Å; P488-Y492 WeakPolarHBondContact O-CB 3.42Å; P488-Y492 PolarHBondContact O-N 2.79Å; L489-Y492 PolarHBondContact O-N 3.24Å; K490-Y492 VanDerWaalsContact C-N 3.32Å; K490-Y492 PolarHBondContact O-N 3.27Å; Y492-A494 VanDerWaalsContact C-N 3.32Å; Y492-A494 PolarHBondContact O-N 3.48Å; Y492-Q495 PolarHBondContact O-N 3.03Å; Y492-R496 WeakPolarHBondContact O-CB 3.35Å; Y492-R496 PolarHBondContact O-N 3.48Å |
| 493 | K | 51.7 | Low | 50.7 | Low | 117 Ų | 117 | 84.7 Ų | 84.7 | 51% | 0.509 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.8 | -39.8 | 174.8 | -77.3 | -173.6 | -179.8 | 173.6 | 0 | 111.6 | L489 K490 R496 M497 | L489-K493 HydrophobicContact CD2-CD 3.64Å; L489-K493 HydrophobicContact CD2-CG 4.13Å; L489-K493 WeakPolarHBondContact O-CB 3.49Å; L489-K493 WeakPolarHBondContact O-CG 3.48Å; L489-K493 PolarHBondContact O-N 3.37Å; K490-K493 PolarHBondContact O-N 2.9Å; K493-R496 PolarHBondContact O-N 3.41Å; K493-M497 WeakPolarHBondContact O-CB 3.28Å; K493-M497 WeakPolarHBondContact O-CG 3.36Å; K493-M497 PolarHBondContact O-N 2.89Å |
| 494 | A | 50.8 | Low | 49.4 | Very low | 39 Ų | 39 | 90.9 Ų | 90.9 | 32% | 0.322 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.8 | -48.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | K490 Y492 R496 M497 V498 | K490-A494 WeakPolarHBondContact O-CB 3.19Å; K490-A494 PolarHBondContact O-N 3.17Å; Y492-A494 VanDerWaalsContact C-N 3.32Å; Y492-A494 PolarHBondContact O-N 3.48Å; A494-R496 PolarHBondContact O-N 2.9Å; A494-M497 PolarHBondContact O-N 3.1Å; A494-V498 VanDerWaalsContact O-CG2 3.28Å; A494-V498 WeakPolarHBondContact O-CG2 3.33Å; A494-V498 PolarHBondContact O-N 3.28Å |
| 495 | Q | 51.3 | Low | 48.5 | Very low | 133 Ų | 133 | 100 Ų | 100 | 62% | 0.621 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.3 | -39.8 | 175.6 | -81.7 | 179.7 | -14.1 | 0 | 0 | 112.8 | N491 Y492 V498 T499 | N491-Q495 WeakPolarHBondContact O-CB 3.49Å; N491-Q495 WeakPolarHBondContact O-CG 3.49Å; N491-Q495 PolarHBondContact O-N 3.31Å; Y492-Q495 PolarHBondContact O-N 3.03Å; Q495-V498 PolarHBondContact O-N 3.46Å; Q495-T499 PolarHBondContact O-N 3.31Å; Q495-T499 PolarHBondContact O-OG1 2.82Å |
| 496 | R | 48 | Very low | 47.6 | Very low | 100 Ų | 100 | 103.8 Ų | 103.8 | 38% | 0.377 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -70.6 | -35.4 | 178.4 | -146.3 | -178.4 | -170.6 | -173.2 | 6.2 | 111.8 | D423 Y492 K493 A494 T499 K500 | D423-R496 IonicContact OD2-NH1 3.69Å; D423-R496 PolarHBondContact OD2-NH1 3.1Å; Y492-R496 WeakPolarHBondContact O-CB 3.35Å; Y492-R496 PolarHBondContact O-N 3.48Å; K493-R496 PolarHBondContact O-N 3.41Å; A494-R496 PolarHBondContact O-N 2.9Å; R496-T499 VanDerWaalsContact CA-OG1 3.28Å; R496-T499 WeakPolarHBondContact CA-OG1 3.31Å; R496-T499 PolarHBondContact O-OG1 2.82Å; R496-K500 WeakPolarHBondContact O-CB 3.35Å; R496-K500 PolarHBondContact O-N 3.15Å |
| 497 | M | 41.4 | Very low | 46.6 | Very low | 127 Ų | 127 | 101.8 Ų | 101.8 | 63% | 0.626 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.6 | -46 | 169 | -84.2 | -170.9 | 171.2 | 0 | 0 | 110.9 | K493 A494 T499 K500 C501 | K493-M497 WeakPolarHBondContact O-CB 3.28Å; K493-M497 WeakPolarHBondContact O-CG 3.36Å; K493-M497 PolarHBondContact O-N 2.89Å; A494-M497 PolarHBondContact O-N 3.1Å; M497-T499 PolarHBondContact O-N 3.27Å; M497-K500 PolarHBondContact O-N 3.32Å; M497-C501 VanDerWaalsContact O-CB 3.31Å; M497-C501 WeakPolarHBondContact O-CB 3.28Å; M497-C501 PolarHBondContact O-N 2.84Å; M497-C501 PolarHBondContact O-SG 3.34Å; M497-C501 VanDerWaalsContact O-SG 3.35Å |
| 498 | V | 44.7 | Very low | 45.9 | Very low | 64 Ų | 64 | 107.2 Ų | 107.2 | 39% | 0.388 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.6 | -43.1 | 177.5 | 172.5 | 0 | 0 | 0 | 0 | 111.6 | A494 Q495 C501 S502 I517 | A494-V498 VanDerWaalsContact O-CG2 3.28Å; A494-V498 WeakPolarHBondContact O-CG2 3.33Å; A494-V498 PolarHBondContact O-N 3.28Å; Q495-V498 PolarHBondContact O-N 3.46Å; V498-C501 PolarHBondContact O-N 3.26Å; V498-S502 WeakPolarHBondContact O-CB 3.43Å; V498-S502 PolarHBondContact O-N 3.35Å; V498-I517 HydrophobicContact CG2-CD1 4.48Å |
| 499 | T | 44.3 | Very low | 45 | Very low | 86 Ų | 86 | 111.7 Ų | 111.7 | 53% | 0.528 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -70 | -38 | 176.8 | 32.2 | 0 | 0 | 0 | 0 | 113.2 | Q495 R496 M497 S502 K503 | Q495-T499 PolarHBondContact O-N 3.31Å; Q495-T499 PolarHBondContact O-OG1 2.82Å; R496-T499 VanDerWaalsContact CA-OG1 3.28Å; R496-T499 WeakPolarHBondContact CA-OG1 3.31Å; R496-T499 PolarHBondContact O-OG1 2.82Å; M497-T499 PolarHBondContact O-N 3.27Å; T499-S502 PolarHBondContact O-N 3.32Å; T499-K503 PolarHBondContact O-N 2.86Å |
| 500 | K | 39.8 | Very low | 44.1 | Very low | 153 Ų | 153 | 118.6 Ų | 118.6 | 67% | 0.665 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64.9 | -40.5 | 171.9 | -84.2 | -175.5 | 176.1 | 179.1 | 0 | 111.8 | R496 M497 K503 | R496-K500 WeakPolarHBondContact O-CB 3.35Å; R496-K500 PolarHBondContact O-N 3.15Å; M497-K500 PolarHBondContact O-N 3.32Å; K500-K503 PolarHBondContact O-N 2.92Å |
| 501 | C | 39 | Very low | 43.6 | Very low | 51 Ų | 51 | 120.6 Ų | 120.6 | 35% | 0.345 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -67.3 | -36.6 | 175.6 | -75.1 | 0 | 0 | 0 | 0 | 112 | M497 V498 K503 R504 | M497-C501 VanDerWaalsContact O-CB 3.31Å; M497-C501 WeakPolarHBondContact O-CB 3.28Å; M497-C501 PolarHBondContact O-N 2.84Å; M497-C501 PolarHBondContact O-SG 3.34Å; M497-C501 VanDerWaalsContact O-SG 3.35Å; V498-C501 PolarHBondContact O-N 3.26Å; C501-K503 PolarHBondContact O-N 2.87Å; C501-R504 PolarHBondContact O-N 2.74Å; C501-R504 VanDerWaalsContact O-N 3.17Å; C501-R504 VanDerWaalsContact O-O 3.13Å |
| 502 | S | 41.7 | Very low | 43 | Very low | 85 Ų | 85 | 119 Ų | 119 | 59% | 0.594 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.2 | -23.6 | 176.4 | -175.3 | 0 | 0 | 0 | 0 | 113.9 | V498 T499 | V498-S502 WeakPolarHBondContact O-CB 3.43Å; V498-S502 PolarHBondContact O-N 3.35Å; T499-S502 PolarHBondContact O-N 3.32Å |
| 503 | K | 43.8 | Very low | 42.2 | Very low | 191 Ų | 191 | 117.6 Ų | 117.6 | 83% | 0.83 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -5.8 | 177.3 | -75.7 | -172.3 | 175.7 | -176.3 | 0 | 114 | T499 K500 C501 | T499-K503 PolarHBondContact O-N 2.86Å; K500-K503 PolarHBondContact O-N 2.92Å; C501-K503 PolarHBondContact O-N 2.87Å |
| 504 | R | 38.3 | Very low | 41.5 | Very low | 194 Ų | 194 | 116.9 Ų | 116.9 | 73% | 0.732 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -111.1 | 96.2 | 171.6 | -75.3 | -175.8 | 176.3 | -175 | -1.9 | 107.4 | C501 E506 | C501-R504 PolarHBondContact O-N 2.74Å; C501-R504 VanDerWaalsContact O-N 3.17Å; C501-R504 VanDerWaalsContact O-O 3.13Å; R504-E506 PolarHBondContact O-N 3.42Å |
| 505 | E | 42 | Very low | 40.9 | Very low | 199 Ų | 199 | 122.5 Ų | 122.5 | 93% | 0.93 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -61.3 | -2.6 | -176.5 | -82.8 | -175.6 | 146.6 | 0 | 0 | 115 | ||
| 506 | E | 40 | Very low | 40.2 | Very low | 190 Ų | 190 | 123 Ų | 123 | 89% | 0.888 | 61% | 0.613 | S | S | * | * | trans | -134.2 | 78.6 | 174.9 | -65.1 | -176.9 | 167.1 | 0 | 0 | 110.7 | R504 | R504-E506 PolarHBondContact O-N 3.42Š| ||
| 507 | C | 35.8 | Very low | 39.6 | Very low | 58 Ų | 58 | 124 Ų | 124 | 39% | 0.392 | 63% | 0.625 | S | S | . | * | trans | -137.4 | 117.3 | 168.5 | -156.2 | 0 | 0 | 0 | 0 | 111.4 | F509 | C507-F509 PolarHBondContact O-N 3.43Š| ||
| 508 | P | 43.9 | Very low | 39.1 | Very low | 117 Ų | 117 | 128.9 Ų | 128.9 | 76% | 0.76 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | 3.5 | -173.6 | 26.2 | -32 | 0 | 0 | 0 | 114.7 | K510 | P508-K510 VanDerWaalsContact C-N 3.32Å; P508-K510 PolarHBondContact O-N 2.99Å |
| 509 | F | 38.7 | Very low | 38.8 | Very low | 128 Ų | 128 | 132.1 Ų | 132.1 | 56% | 0.561 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -1 | 179.5 | -86.4 | -84.8 | 0 | 0 | 0 | 115.4 | C507 Q511 V512 T513 | C507-F509 PolarHBondContact O-N 3.43Å; F509-Q511 PolarHBondContact O-N 3.37Å; F509-V512 HydrophobicContact CD1-CB 4Å; F509-V512 HydrophobicContact CD1-CG1 4.39Å; F509-V512 HydrophobicContact CD1-CG2 4.05Å; F509-V512 HydrophobicContact CE1-CG2 4.39Å; F509-V512 PolarHBondContact O-N 3.17Å; F509-V512 VanDerWaalsContact O-N 3.1Å; F509-T513 PolarHBondContact O-N 3.26Å; F509-T513 VanDerWaalsContact O-N 3.15Å; F509-T513 PolarHBondContact O-OG1 3.39Å |
| 510 | K | 32.9 | Very low | 38.5 | Very low | 164 Ų | 164 | 134.5 Ų | 134.5 | 71% | 0.713 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -60.2 | -32.9 | 179 | -149.7 | 175.4 | -173.5 | 178.4 | 0 | 112.6 | P508 T514 | P508-K510 VanDerWaalsContact C-N 3.32Å; P508-K510 PolarHBondContact O-N 2.99Å; K510-T514 PolarHBondContact O-OG1 3.42Å |
| 511 | Q | 42.3 | Very low | 38.5 | Very low | 167 Ų | 167 | 133.5 Ų | 133.5 | 78% | 0.78 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -71.8 | -33.9 | 175.5 | -84.5 | -179.7 | -18.3 | 0 | 0 | 113.2 | F509 | F509-Q511 PolarHBondContact O-N 3.37Å |
| 512 | V | 42.9 | Very low | 38.4 | Very low | 70 Ų | 70 | 138.4 Ų | 138.4 | 42% | 0.424 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -75.8 | -29 | -179.5 | -177.3 | 0 | 0 | 0 | 0 | 111.4 | F509 | F509-V512 HydrophobicContact CD1-CB 4Å; F509-V512 HydrophobicContact CD1-CG1 4.39Å; F509-V512 HydrophobicContact CD1-CG2 4.05Å; F509-V512 HydrophobicContact CE1-CG2 4.39Å; F509-V512 PolarHBondContact O-N 3.17Å; F509-V512 VanDerWaalsContact O-N 3.1Å |
| 513 | T | 34.1 | Very low | 38.2 | Very low | 37 Ų | 37 | 141.7 Ų | 141.7 | 23% | 0.227 | 69% | 0.689 | C | S | . | * | H | α-helix | trans | -74.5 | -31.2 | -179 | 4.8 | 0 | 0 | 0 | 0 | 113.2 | F509 Q515 L516 | F509-T513 PolarHBondContact O-N 3.26Å; F509-T513 VanDerWaalsContact O-N 3.15Å; F509-T513 PolarHBondContact O-OG1 3.39Å; T513-Q515 VanDerWaalsContact C-N 3.33Å; T513-L516 PolarHBondContact O-N 2.92Å |
| 514 | T | 35.1 | Very low | 37.9 | Very low | 101 Ų | 101 | 138.4 Ų | 138.4 | 62% | 0.62 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -70.7 | -30 | 176.9 | -45 | 0 | 0 | 0 | 0 | 112.3 | K510 L516 | K510-T514 PolarHBondContact O-OG1 3.42Å; T514-L516 VanDerWaalsContact C-N 3.33Å |
| 515 | Q | 40 | Very low | 37.8 | Very low | 158 Ų | 158 | 134.4 Ų | 134.4 | 74% | 0.738 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -75.5 | -18 | 175.8 | -75.5 | -173.8 | -19.3 | 0 | 0 | 114.1 | T513 | T513-Q515 VanDerWaalsContact C-N 3.33Å |
| 516 | L | 35.7 | Very low | 37.5 | Very low | 143 Ų | 143 | 129.5 Ų | 129.5 | 75% | 0.749 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | -11 | 177.9 | -94.7 | 156.5 | 0 | 0 | 0 | 113.8 | T513 T514 | T513-L516 PolarHBondContact O-N 2.92Å; T514-L516 VanDerWaalsContact C-N 3.33Å |
| 517 | I | 35.9 | Very low | 37.3 | Very low | 122 Ų | 122 | 124.4 Ų | 124.4 | 63% | 0.626 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -21.6 | 177.4 | -66.7 | 172.8 | 0 | 0 | 0 | 111.5 | V498 | V498-I517 HydrophobicContact CG2-CD1 4.48Š|
| 518 | H | 30.7 | Very low | 37.5 | Very low | 228 Ų | 228 | 130.5 Ų | 130.5 | 100% | 1.056 | 66% | 0.659 | S | S | * | * | trans | -95.7 | 0 | -179.8 | -147.4 | -46.3 | 0 | 0 | 0 | 111.5 |
Retrieved 518 of 518 residues in 1043.4 ms
(Link to these results)