| 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 | 41.7 | Very low | 39.8 | Very low | 231 Ų | 231 | 111.2 Ų | 111.2 | 100% | 1.138 | 77% | 0.771 | S | S | * | * | 0 | 139.2 | 0 | -70.4 | -144.5 | -165.5 | 0 | 0 | 107.6 | |||||
| 2 | P | 39.6 | Very low | 41 | Very low | 134 Ų | 134 | 114.1 Ų | 114.1 | 87% | 0.87 | 77% | 0.771 | S | S | * | * | -110.7 | 156.1 | 58.2 | 28.5 | -17.1 | 0 | 0 | 0 | 114.8 | |||||
| 3 | A | 41.4 | Very low | 42.8 | Very low | 95 Ų | 95 | 115.3 Ų | 115.3 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | trans | -72.3 | 141.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 4 | G | 30.7 | Very low | 45.2 | Very low | 75 Ų | 75 | 111.4 Ų | 111.4 | 77% | 0.773 | 72% | 0.724 | S | S | * | * | trans | -137.2 | 78.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 5 | V | 33.2 | Very low | 47.5 | Very low | 143 Ų | 143 | 115.5 Ų | 115.5 | 87% | 0.867 | 72% | 0.719 | S | S | * | * | trans | 45.1 | 100.2 | 152.3 | -169.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 6 | C | 36 | Very low | 49.4 | Very low | 123 Ų | 123 | 110.6 Ų | 110.6 | 83% | 0.831 | 68% | 0.683 | S | S | * | * | trans | -54.7 | 150.3 | 158.7 | -178.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 7 | G | 38.5 | Very low | 51.4 | Low | 63 Ų | 63 | 107.8 Ų | 107.8 | 65% | 0.649 | 66% | 0.659 | S | S | * | * | trans | -59.4 | 150.6 | -168.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 8 | C | 38.5 | Very low | 53.1 | Low | 128 Ų | 128 | 107.1 Ų | 107.1 | 87% | 0.865 | 64% | 0.642 | S | S | * | * | trans | -163.9 | 77.6 | 161.5 | -90.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 9 | C | 41.1 | Very low | 54.7 | Low | 74 Ų | 74 | 103.1 Ų | 103.1 | 50% | 0.5 | 62% | 0.617 | S | S | . | * | trans | -164.5 | 49.9 | 161.6 | -96.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 10 | G | 49.8 | Very low | 56.2 | Low | 49 Ų | 49 | 97.9 Ų | 97.9 | 51% | 0.505 | 59% | 0.586 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -57.3 | -40 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | R18 | G10-R18 PolarHBondContact O-NE 3.3Å; G10-R18 PolarHBondContact O-NH1 2.75Å; G10-R18 PolarHBondContact O-NH2 3.16Å |
| 11 | P | 47.8 | Very low | 57.5 | Low | 108 Ų | 108 | 95 Ų | 95 | 70% | 0.701 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -11.9 | -173.1 | -12 | 28.7 | 0 | 0 | 0 | 116.1 | R18 | P11-R18 PolarHBondContact O-NH2 3.37Š|
| 12 | L | 54.3 | Low | 59.6 | Low | 146 Ų | 146 | 88.3 Ų | 88.3 | 76% | 0.764 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | -10.7 | -177.8 | -75.7 | 159.3 | 0 | 0 | 0 | 113.7 | ||
| 13 | R | 63.9 | Low | 61.8 | Low | 130 Ų | 130 | 82 Ų | 82 | 49% | 0.491 | 50% | 0.495 | S | S | . | . | S | Bend | trans | -72.3 | 135.3 | 175.3 | -77 | -174.3 | 178.4 | -171 | 3.3 | 110.7 | R15 R18 D21 | R13-R15 PolarHBondContact O-N 3.15Å; R13-R18 HydrophobicContact CB-CG 4.2Å; R13-R18 VanDerWaalsContact O-CZ 3.24Å; R13-R18 PolarHBondContact O-NE 2.91Å; R13-R18 PolarHBondContact O-NH2 3.41Å; R13-D21 IonicContact NH1-OD2 2.64Å; R13-D21 PolarHBondContact NH1-OD2 3.18Å |
| 14 | P | 76.4 | Confident | 63.9 | Low | 60 Ų | 60 | 78.3 Ų | 78.3 | 39% | 0.39 | 46% | 0.462 | S | S | . | . | trans | -50.3 | 138.8 | 174.9 | -28 | 34.3 | 0 | 0 | 0 | 112.4 | Y16 K17 R18 | P14-Y16 HydrophobicContact CB-CD1 3.49Å; P14-Y16 VanDerWaalsContact CB-CD1 3.49Å; P14-Y16 HydrophobicContact CB-CE1 3.21Å; P14-Y16 HydrophobicContact CB-CG 4.5Å; P14-Y16 HydrophobicContact CG-CE1 3.94Å; P14-Y16 PolarHBondContact O-N 2.93Å; P14-Y16 VanDerWaalsContact O-N 3.15Å; P14-K17 HydrophobicContact CB-CG 4.49Å; P14-K17 PolarHBondContact O-N 2.91Å; P14-R18 PolarHBondContact O-N 2.91Å | ||
| 15 | R | 79.6 | Confident | 66.3 | Low | 174 Ų | 174 | 76 Ų | 76 | 66% | 0.657 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -52.3 | -39.1 | -175 | -176 | 174.4 | 175.2 | -179.5 | -1.8 | 113 | R13 K17 R18 L19 Y43 | R13-R15 PolarHBondContact O-N 3.15Å; R15-K17 PolarHBondContact O-N 3.35Å; R15-R18 PolarHBondContact O-N 3.49Å; R15-L19 HydrophobicContact CG-CD1 4.39Å; R15-L19 WeakPolarHBondContact O-CG 3.48Å; R15-L19 PolarHBondContact O-N 3.45Å; R15-Y43 HydrophobicContact CG-CE2 4.44Å |
| 16 | Y | 77.9 | Confident | 68.2 | Low | 37 Ų | 37 | 77.5 Ų | 77.5 | 15% | 0.145 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -62.7 | -37.4 | 178 | 76.1 | -93.2 | 0 | 0 | 0 | 113.1 | P14 R18 L19 V20 R53 I54 | P14-Y16 HydrophobicContact CB-CD1 3.49Å; P14-Y16 VanDerWaalsContact CB-CD1 3.49Å; P14-Y16 HydrophobicContact CB-CE1 3.21Å; P14-Y16 HydrophobicContact CB-CG 4.5Å; P14-Y16 HydrophobicContact CG-CE1 3.94Å; P14-Y16 PolarHBondContact O-N 2.93Å; P14-Y16 VanDerWaalsContact O-N 3.15Å; Y16-R18 PolarHBondContact O-N 2.95Å; Y16-L19 PolarHBondContact O-N 3.04Å; Y16-V20 WeakPolarHBondContact O-CG2 3.44Å; Y16-V20 PolarHBondContact O-N 2.88Å; Y16-R53 HydrophobicContact CE2-CB 4.13Å; Y16-I54 HydrophobicContact CD2-CG1 4.11Å; Y16-I54 HydrophobicContact CG-CG1 4.37Å |
| 17 | K | 82.8 | Confident | 70.2 | Confident | 63 Ų | 63 | 75.1 Ų | 75.1 | 27% | 0.274 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -67 | -37.1 | 178.4 | -67.7 | -165.9 | 177.5 | -175.3 | 0 | 112 | P14 R15 V20 D21 Y57 | P14-K17 HydrophobicContact CB-CG 4.49Å; P14-K17 PolarHBondContact O-N 2.91Å; R15-K17 PolarHBondContact O-N 3.35Å; K17-V20 PolarHBondContact O-N 3.39Å; K17-D21 WeakPolarHBondContact O-CB 3.36Å; K17-D21 VanDerWaalsContact O-CG 3.26Å; K17-D21 PolarHBondContact O-N 2.9Å; K17-Y57 HydrophobicContact CB-CD1 4.49Å; K17-Y57 HydrophobicContact CB-CE1 4.07Å; K17-Y57 HydrophobicContact CD-CD2 4.23Å; K17-Y57 HydrophobicContact CD-CE1 4.5Å; K17-Y57 HydrophobicContact CD-CE2 3.96Å; K17-Y57 HydrophobicContact CG-CD1 4.15Å; K17-Y57 HydrophobicContact CG-CD2 4.39Å; K17-Y57 HydrophobicContact CG-CE1 4.07Å; K17-Y57 HydrophobicContact CG-CE2 4.35Å; K17-Y57 HydrophobicContact CG-CG 4.31Å |
| 18 | R | 82.7 | Confident | 72 | Confident | 94 Ų | 94 | 74.2 Ų | 74.2 | 36% | 0.355 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -68.3 | -41.1 | 177.6 | -59 | -175.7 | -142.5 | 174 | 1 | 111.7 | G10 P11 R13 P14 R15 Y16 V20 D21 N22 | G10-R18 PolarHBondContact O-NE 3.3Å; G10-R18 PolarHBondContact O-NH1 2.75Å; G10-R18 PolarHBondContact O-NH2 3.16Å; P11-R18 PolarHBondContact O-NH2 3.37Å; R13-R18 HydrophobicContact CB-CG 4.2Å; R13-R18 VanDerWaalsContact O-CZ 3.24Å; R13-R18 PolarHBondContact O-NE 2.91Å; R13-R18 PolarHBondContact O-NH2 3.41Å; P14-R18 PolarHBondContact O-N 2.91Å; R15-R18 PolarHBondContact O-N 3.49Å; Y16-R18 PolarHBondContact O-N 2.95Å; R18-V20 VanDerWaalsContact C-N 3.31Å; R18-V20 PolarHBondContact O-N 2.79Å; R18-D21 PolarHBondContact O-N 3.37Å; R18-N22 WeakPolarHBondContact O-CB 3.37Å; R18-N22 PolarHBondContact O-N 3.09Å; R18-N22 PolarHBondContact O-ND2 3.38Å; R18-N22 PolarHBondContact O-OD1 3.1Å |
| 19 | L | 83 | Confident | 73.8 | Confident | 31 Ų | 31 | 77.1 Ų | 77.1 | 16% | 0.162 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62.6 | -40.5 | 175.7 | -68.4 | 171.9 | 0 | 0 | 0 | 111.2 | R15 Y16 L40 Y43 | R15-L19 HydrophobicContact CG-CD1 4.39Å; R15-L19 WeakPolarHBondContact O-CG 3.48Å; R15-L19 PolarHBondContact O-N 3.45Å; Y16-L19 PolarHBondContact O-N 3.04Å; L19-L40 HydrophobicContact CB-CD1 3.82Å; L19-Y43 HydrophobicContact CD1-CD1 3.69Å; L19-Y43 HydrophobicContact CD1-CD2 3.95Å; L19-Y43 HydrophobicContact CD1-CE1 4.22Å; L19-Y43 HydrophobicContact CD1-CE2 4.45Å; L19-Y43 HydrophobicContact CD1-CG 3.53Å |
| 20 | V | 84.3 | Confident | 75.3 | Confident | 0 Ų | 0 | 79.2 Ų | 79.2 | 0% | 0 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -69.3 | -36.5 | 173.2 | 174.6 | 0 | 0 | 0 | 0 | 112.3 | Y16 K17 R18 N22 I23 F24 L40 I54 Y57 L58 | Y16-V20 WeakPolarHBondContact O-CG2 3.44Å; Y16-V20 PolarHBondContact O-N 2.88Å; K17-V20 PolarHBondContact O-N 3.39Å; R18-V20 VanDerWaalsContact C-N 3.31Å; R18-V20 PolarHBondContact O-N 2.79Å; V20-N22 VanDerWaalsContact C-N 3.3Å; V20-N22 PolarHBondContact O-N 3.48Å; V20-I23 WeakPolarHBondContact O-CG1 3.17Å; V20-F24 HydrophobicContact CG1-CE2 4.01Å; V20-F24 WeakPolarHBondContact O-CD2 3.1Å; V20-F24 VanDerWaalsContact O-CE2 3.26Å; V20-F24 WeakPolarHBondContact O-CE2 3.35Å; V20-L40 HydrophobicContact CG2-CD1 3.94Å; V20-L40 HydrophobicContact CG2-CD2 4.12Å; V20-I54 HydrophobicContact CG2-CG2 3.88Å; V20-Y57 HydrophobicContact CB-CD1 3.97Å; V20-Y57 HydrophobicContact CB-CE1 4.12Å; V20-Y57 HydrophobicContact CG1-CD1 3.71Å; V20-Y57 HydrophobicContact CG1-CE1 3.88Å; V20-Y57 HydrophobicContact CG2-CD1 4.4Å; V20-L58 HydrophobicContact CG1-CD2 3.48Å; V20-L58 VanDerWaalsContact CG1-CD2 3.48Å; V20-L58 HydrophobicContact CG1-CG 3.95Å |
| 21 | D | 85.1 | Confident | 76.7 | Confident | 37 Ų | 37 | 78.1 Ų | 78.1 | 20% | 0.198 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -66.9 | -34.1 | 177.9 | -76.8 | -25.9 | 0 | 0 | 0 | 111.9 | R13 K17 R18 I23 F24 Y57 R61 | R13-D21 IonicContact NH1-OD2 2.64Å; R13-D21 PolarHBondContact NH1-OD2 3.18Å; K17-D21 WeakPolarHBondContact O-CB 3.36Å; K17-D21 VanDerWaalsContact O-CG 3.26Å; K17-D21 PolarHBondContact O-N 2.9Å; R18-D21 PolarHBondContact O-N 3.37Å; D21-I23 VanDerWaalsContact C-N 3.33Å; D21-I23 PolarHBondContact O-N 2.71Å; D21-F24 PolarHBondContact O-N 3.33Å; D21-Y57 PolarHBondContact OD1-OH 3.22Å; D21-R61 IonicContact OD1-CZ 2.69Å; D21-R61 IonicContact OD1-NH1 3.46Å; D21-R61 PolarHBondContact OD1-NH1 3.24Å |
| 22 | N | 84.7 | Confident | 78.3 | Confident | 91 Ų | 91 | 73.9 Ų | 73.9 | 49% | 0.487 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -73 | -19.5 | -177 | -69.4 | -7.8 | 0 | 0 | 0 | 114.4 | R18 V20 F24 D36 | R18-N22 WeakPolarHBondContact O-CB 3.37Å; R18-N22 PolarHBondContact O-N 3.09Å; R18-N22 PolarHBondContact O-ND2 3.38Å; R18-N22 PolarHBondContact O-OD1 3.1Å; V20-N22 VanDerWaalsContact C-N 3.3Å; V20-N22 PolarHBondContact O-N 3.48Å; N22-F24 PolarHBondContact O-N 3.46Å; N22-D36 HydrophobicContact CB-CB 4.42Å |
| 23 | I | 86.1 | Confident | 79.8 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -16.4 | 176.1 | 57.9 | 152.7 | 0 | 0 | 0 | 112.7 | V20 D21 P25 L32 D36 M37 L40 L58 A80 | V20-I23 WeakPolarHBondContact O-CG1 3.17Å; D21-I23 VanDerWaalsContact C-N 3.33Å; D21-I23 PolarHBondContact O-N 2.71Å; I23-P25 WeakPolarHBondContact O-CD 3.41Å; I23-L32 HydrophobicContact CB-CD1 3.84Å; I23-L32 HydrophobicContact CD1-CD1 4.02Å; I23-L32 HydrophobicContact CG1-CD1 4.44Å; I23-D36 HydrophobicContact CG2-CB 4.15Å; I23-M37 HydrophobicContact CG2-CB 4.45Å; I23-M37 HydrophobicContact CG2-SD 4.23Å; I23-L40 HydrophobicContact CD1-CD2 4.27Å; I23-L40 HydrophobicContact CG2-CD2 4.09Å; I23-L58 HydrophobicContact CD1-CD2 4.4Å; I23-A80 HydrophobicContact CD1-CB 3.5Å; I23-A80 VanDerWaalsContact CD1-CB 3.5Å |
| 24 | F | 85.3 | Confident | 80.6 | Confident | 18 Ų | 18 | 70.3 Ų | 70.3 | 8% | 0.079 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -95.1 | 114.5 | -179.2 | -64.4 | -85.3 | 0 | 0 | 0 | 110.9 | V20 D21 N22 L58 Y73 I76 A77 | V20-F24 HydrophobicContact CG1-CE2 4.01Å; V20-F24 WeakPolarHBondContact O-CD2 3.1Å; V20-F24 VanDerWaalsContact O-CE2 3.26Å; V20-F24 WeakPolarHBondContact O-CE2 3.35Å; D21-F24 PolarHBondContact O-N 3.33Å; N22-F24 PolarHBondContact O-N 3.46Å; F24-L58 HydrophobicContact CE2-CD2 4.17Å; F24-L58 HydrophobicContact CZ-CD2 4.02Å; F24-Y73 HydrophobicContact CD1-CD1 4.28Å; F24-I76 HydrophobicContact CD1-CB 4.29Å; F24-I76 HydrophobicContact CD1-CG2 3.76Å; F24-I76 HydrophobicContact CE1-CB 4.28Å; F24-I76 HydrophobicContact CE1-CG2 3.9Å; F24-A77 HydrophobicContact CE1-CB 3.96Å; F24-A77 HydrophobicContact CZ-CB 4Å |
| 25 | P | 81.3 | Confident | 80.9 | Confident | 28 Ų | 28 | 70.5 Ų | 70.5 | 18% | 0.182 | 35% | 0.35 | C | S | . | . | trans | -68.8 | 167.7 | 174.6 | 31.5 | -38.1 | 0 | 0 | 0 | 112.4 | I23 D27 D30 G31 Y73 I76 | I23-P25 WeakPolarHBondContact O-CD 3.41Å; P25-D27 WeakPolarHBondContact CG-O 3.37Å; P25-D30 HydrophobicContact CB-CB 3.82Å; P25-D30 HydrophobicContact CG-CB 4.01Å; P25-G31 WeakPolarHBondContact CD-O 3.45Å; P25-G31 WeakPolarHBondContact CG-O 3.3Å; P25-Y73 WeakPolarHBondContact O-CE1 3.39Å; P25-I76 HydrophobicContact CG-CD1 3.91Å | ||
| 26 | L | 73.3 | Confident | 81.2 | Confident | 174 Ų | 174 | 63.8 Ų | 63.8 | 91% | 0.911 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -70.4 | -36.6 | 174.4 | -71.6 | 166.8 | 0 | 0 | 0 | 111.6 | Y73 | L26-Y73 PolarHBondContact O-OH 3.45Š|
| 27 | D | 78.3 | Confident | 81.6 | Confident | 72 Ų | 72 | 62.1 Ų | 62.1 | 39% | 0.385 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -103.3 | 123.2 | 171.2 | -169.3 | -21.6 | 0 | 0 | 0 | 110.1 | P25 K29 D30 | P25-D27 WeakPolarHBondContact CG-O 3.37Å; D27-K29 PolarHBondContact O-N 3.18Å; D27-K29 VanDerWaalsContact O-N 3.08Å; D27-K29 WeakPolarHBondContact OD1-CB 3.35Å; D27-K29 WeakPolarHBondContact OD1-CG 3.36Å; D27-K29 PolarHBondContact OD1-N 3.14Å; D27-D30 WeakPolarHBondContact O-CB 3.38Å; D27-D30 PolarHBondContact O-N 2.96Å; D27-D30 VanDerWaalsContact O-N 3.13Å |
| 28 | P | 74.9 | Confident | 81.7 | Confident | 45 Ų | 45 | 65.6 Ų | 65.6 | 29% | 0.292 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -55.3 | -21.9 | 174.6 | -21.1 | 28.1 | 0 | 0 | 0 | 115.2 | D30 Y73 | P28-D30 VanDerWaalsContact C-N 3.28Å; P28-D30 PolarHBondContact O-N 3.24Å; P28-Y73 HydrophobicContact CB-CD1 4.42Å; P28-Y73 HydrophobicContact CB-CE1 4.32Å; P28-Y73 HydrophobicContact CG-CD1 4.15Å; P28-Y73 HydrophobicContact CG-CD2 4.13Å; P28-Y73 HydrophobicContact CG-CE1 3.73Å; P28-Y73 HydrophobicContact CG-CE2 3.7Å; P28-Y73 HydrophobicContact CG-CG 4.34Å; P28-Y73 VanDerWaalsContact CG-CZ 3.49Å |
| 29 | K | 76.4 | Confident | 81.9 | Confident | 188 Ų | 188 | 66.5 Ų | 66.5 | 82% | 0.817 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -72.2 | -20.5 | 179.2 | -66.5 | -180 | 179.3 | -180 | 0 | 113.7 | D27 G31 | D27-K29 PolarHBondContact O-N 3.18Å; D27-K29 VanDerWaalsContact O-N 3.08Å; D27-K29 WeakPolarHBondContact OD1-CB 3.35Å; D27-K29 WeakPolarHBondContact OD1-CG 3.36Å; D27-K29 PolarHBondContact OD1-N 3.14Å; K29-G31 PolarHBondContact O-N 3.18Å |
| 30 | D | 74.3 | Confident | 82 | Confident | 119 Ų | 119 | 65 Ų | 65 | 64% | 0.636 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -72.2 | -11.8 | 179.5 | -64.7 | -26.4 | 0 | 0 | 0 | 112.4 | P25 D27 P28 | P25-D30 HydrophobicContact CB-CB 3.82Å; P25-D30 HydrophobicContact CG-CB 4.01Å; D27-D30 WeakPolarHBondContact O-CB 3.38Å; D27-D30 PolarHBondContact O-N 2.96Å; D27-D30 VanDerWaalsContact O-N 3.13Å; P28-D30 VanDerWaalsContact C-N 3.28Å; P28-D30 PolarHBondContact O-N 3.24Å |
| 31 | G | 77.7 | Confident | 82 | Confident | 25 Ų | 25 | 66.3 Ų | 66.3 | 26% | 0.258 | 34% | 0.344 | S | S | . | . | trans | 69.5 | -176.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | P25 K29 S33 | P25-G31 WeakPolarHBondContact CD-O 3.45Å; P25-G31 WeakPolarHBondContact CG-O 3.3Å; K29-G31 PolarHBondContact O-N 3.18Å; G31-S33 PolarHBondContact O-N 3.29Å | ||
| 32 | L | 82.8 | Confident | 82 | Confident | 19 Ų | 19 | 71.6 Ų | 71.6 | 10% | 0.099 | 37% | 0.366 | C | S | . | . | trans | -65.8 | 126.2 | 179.9 | -177.6 | 68.2 | 0 | 0 | 0 | 111.7 | I23 K34 M37 I76 E79 A80 | I23-L32 HydrophobicContact CB-CD1 3.84Å; I23-L32 HydrophobicContact CD1-CD1 4.02Å; I23-L32 HydrophobicContact CG1-CD1 4.44Å; L32-K34 PolarHBondContact O-N 3.14Å; L32-M37 HydrophobicContact CD1-SD 4.21Å; L32-M37 HydrophobicContact CD2-CB 4.28Å; L32-M37 HydrophobicContact CD2-CG 3.84Å; L32-M37 HydrophobicContact CD2-SD 4.04Å; L32-M37 HydrophobicContact CG-CB 4.31Å; L32-M37 HydrophobicContact CG-CG 4.38Å; L32-I76 HydrophobicContact CB-CG2 4.19Å; L32-I76 HydrophobicContact CD1-CG2 3.69Å; L32-E79 HydrophobicContact CD2-CB 4.1Å; L32-A80 HydrophobicContact CD1-CB 3.96Å; L32-A80 HydrophobicContact CD2-CB 4.37Å | ||
| 33 | S | 84.3 | Confident | 82 | Confident | 34 Ų | 34 | 68.7 Ų | 68.7 | 24% | 0.238 | 35% | 0.349 | C | S | . | . | trans | -65.7 | 102.9 | 175 | 175.9 | 0 | 0 | 0 | 0 | 111 | G31 S35 D36 M37 | G31-S33 PolarHBondContact O-N 3.29Å; S33-S35 PolarHBondContact O-N 3.33Å; S33-D36 PolarHBondContact O-N 3.17Å; S33-D36 PolarHBondContact OG-OD2 3.01Å; S33-M37 VanDerWaalsContact O-CB 3.32Å; S33-M37 WeakPolarHBondContact O-CB 3.39Å; S33-M37 PolarHBondContact O-N 3.28Å | ||
| 34 | K | 82.1 | Confident | 81.9 | Confident | 167 Ų | 167 | 68.8 Ų | 68.8 | 73% | 0.726 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -57 | -44.4 | -177 | -65.4 | -175.4 | 179.9 | -179.1 | 0 | 112.9 | L32 D36 M37 E38 | L32-K34 PolarHBondContact O-N 3.14Å; K34-D36 VanDerWaalsContact C-N 3.34Å; K34-D36 PolarHBondContact O-N 2.98Å; K34-M37 PolarHBondContact O-N 3.11Å; K34-E38 WeakPolarHBondContact O-CG 3.42Å; K34-E38 PolarHBondContact O-N 2.76Å |
| 35 | S | 82.8 | Confident | 81.7 | Confident | 64 Ų | 64 | 71.7 Ų | 71.7 | 45% | 0.448 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -67.8 | -32.1 | -178.3 | 55.6 | 0 | 0 | 0 | 0 | 113.6 | S33 K39 | S33-S35 PolarHBondContact O-N 3.33Å; S35-K39 WeakPolarHBondContact O-CG 3.4Å |
| 36 | D | 84.8 | Confident | 81.7 | Confident | 34 Ų | 34 | 73.9 Ų | 73.9 | 18% | 0.182 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -84.9 | -28.1 | 177.8 | -62.9 | -50.6 | 0 | 0 | 0 | 111.5 | N22 I23 S33 K34 K39 L40 | N22-D36 HydrophobicContact CB-CB 4.42Å; I23-D36 HydrophobicContact CG2-CB 4.15Å; S33-D36 PolarHBondContact O-N 3.17Å; S33-D36 PolarHBondContact OG-OD2 3.01Å; K34-D36 VanDerWaalsContact C-N 3.34Å; K34-D36 PolarHBondContact O-N 2.98Å; D36-K39 PolarHBondContact O-N 2.93Å; D36-K39 IonicContact OD1-NZ 3.62Å; D36-K39 PolarHBondContact OD1-NZ 3.36Å; D36-L40 WeakPolarHBondContact O-CB 3.5Å; D36-L40 PolarHBondContact O-N 3.47Å |
| 37 | M | 87.5 | Confident | 82.1 | Confident | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.5 | -44.5 | 170.3 | -168.1 | 62.2 | -135.4 | 0 | 0 | 111.5 | I23 L32 S33 K34 K39 L40 T41 A80 Q83 L84 | I23-M37 HydrophobicContact CG2-CB 4.45Å; I23-M37 HydrophobicContact CG2-SD 4.23Å; L32-M37 HydrophobicContact CD1-SD 4.21Å; L32-M37 HydrophobicContact CD2-CB 4.28Å; L32-M37 HydrophobicContact CD2-CG 3.84Å; L32-M37 HydrophobicContact CD2-SD 4.04Å; L32-M37 HydrophobicContact CG-CB 4.31Å; L32-M37 HydrophobicContact CG-CG 4.38Å; S33-M37 VanDerWaalsContact O-CB 3.32Å; S33-M37 WeakPolarHBondContact O-CB 3.39Å; S33-M37 PolarHBondContact O-N 3.28Å; K34-M37 PolarHBondContact O-N 3.11Å; M37-K39 VanDerWaalsContact C-N 3.31Å; M37-K39 PolarHBondContact O-N 3.21Å; M37-L40 HydrophobicContact CE-CB 4.46Å; M37-L40 HydrophobicContact CE-CD2 4.06Å; M37-L40 HydrophobicContact CE-CG 4.4Å; M37-L40 CarbonylContact O-C 3.53Å; M37-L40 WeakPolarHBondContact O-CB 3.43Å; M37-L40 PolarHBondContact O-N 3.49Å; M37-L40 VanDerWaalsContact O-N 3.08Å; M37-L40 HydrophobicContact SD-CD2 4.17Å; M37-T41 WeakPolarHBondContact CE-OG1 3.41Å; M37-T41 WeakPolarHBondContact O-CB 3.38Å; M37-T41 PolarHBondContact O-N 3.03Å; M37-T41 PolarHBondContact O-OG1 2.89Å; M37-T41 VanDerWaalsContact O-OG1 3.06Å; M37-A80 HydrophobicContact CE-CB 4.4Å; M37-A80 WeakPolarHBondContact CE-O 3.42Å; M37-A80 HydrophobicContact SD-CB 3.74Å; M37-Q83 HydrophobicContact CE-CB 4.1Å; M37-L84 HydrophobicContact CE-CD1 4.34Å; M37-L84 HydrophobicContact CE-CD2 3.69Å; M37-L84 HydrophobicContact CE-CG 3.59Å |
| 38 | E | 85 | Confident | 82 | Confident | 137 Ų | 137 | 64.4 Ų | 64.4 | 64% | 0.64 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -58.4 | -41.2 | 174.3 | -75.4 | 171.6 | -172.8 | 0 | 0 | 112.2 | K34 L40 T41 F42 | K34-E38 WeakPolarHBondContact O-CG 3.42Å; K34-E38 PolarHBondContact O-N 2.76Å; E38-L40 VanDerWaalsContact C-N 3.35Å; E38-T41 PolarHBondContact O-N 2.83Å; E38-F42 WeakPolarHBondContact O-CB 3.41Å; E38-F42 PolarHBondContact O-N 3.24Å |
| 39 | K | 86 | Confident | 82 | Confident | 113 Ų | 113 | 68 Ų | 68 | 49% | 0.491 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.5 | -39.4 | 174.6 | -67 | 169.9 | -159.4 | 157.6 | 0 | 111.8 | S35 D36 M37 Y43 | S35-K39 WeakPolarHBondContact O-CG 3.4Å; D36-K39 PolarHBondContact O-N 2.93Å; D36-K39 IonicContact OD1-NZ 3.62Å; D36-K39 PolarHBondContact OD1-NZ 3.36Å; M37-K39 VanDerWaalsContact C-N 3.31Å; M37-K39 PolarHBondContact O-N 3.21Å; K39-Y43 VanDerWaalsContact O-CB 3.29Å; K39-Y43 WeakPolarHBondContact O-CB 3.44Å; K39-Y43 PolarHBondContact O-N 3.08Å |
| 40 | L | 85.9 | Confident | 82.2 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67.6 | -44.2 | 177.3 | -179.1 | 62.8 | 0 | 0 | 0 | 110.9 | L19 V20 I23 D36 M37 E38 Y43 A44 I54 L84 | L19-L40 HydrophobicContact CB-CD1 3.82Å; V20-L40 HydrophobicContact CG2-CD1 3.94Å; V20-L40 HydrophobicContact CG2-CD2 4.12Å; I23-L40 HydrophobicContact CD1-CD2 4.27Å; I23-L40 HydrophobicContact CG2-CD2 4.09Å; D36-L40 WeakPolarHBondContact O-CB 3.5Å; D36-L40 PolarHBondContact O-N 3.47Å; M37-L40 HydrophobicContact CE-CB 4.46Å; M37-L40 HydrophobicContact CE-CD2 4.06Å; M37-L40 HydrophobicContact CE-CG 4.4Å; M37-L40 CarbonylContact O-C 3.53Å; M37-L40 WeakPolarHBondContact O-CB 3.43Å; M37-L40 PolarHBondContact O-N 3.49Å; M37-L40 VanDerWaalsContact O-N 3.08Å; M37-L40 HydrophobicContact SD-CD2 4.17Å; E38-L40 VanDerWaalsContact C-N 3.35Å; L40-Y43 PolarHBondContact O-N 3.24Å; L40-A44 VanDerWaalsContact O-CB 3.31Å; L40-A44 WeakPolarHBondContact O-CB 3.5Å; L40-A44 PolarHBondContact O-N 3.04Å; L40-I54 HydrophobicContact CD1-CD1 4.24Å; L40-I54 HydrophobicContact CD1-CG2 4.4Å; L40-L84 HydrophobicContact CD2-CD1 4.34Å; L40-L84 HydrophobicContact CG-CD2 4.34Å |
| 41 | T | 84.7 | Confident | 82.6 | Confident | 26 Ų | 26 | 56.5 Ų | 56.5 | 16% | 0.16 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.1 | -48.3 | 175.1 | -59.9 | 0 | 0 | 0 | 0 | 111.1 | M37 E38 Y43 A44 V45 A87 | M37-T41 WeakPolarHBondContact CE-OG1 3.41Å; M37-T41 WeakPolarHBondContact O-CB 3.38Å; M37-T41 PolarHBondContact O-N 3.03Å; M37-T41 PolarHBondContact O-OG1 2.89Å; M37-T41 VanDerWaalsContact O-OG1 3.06Å; E38-T41 PolarHBondContact O-N 2.83Å; T41-Y43 VanDerWaalsContact C-N 3.29Å; T41-Y43 PolarHBondContact O-N 3.42Å; T41-A44 PolarHBondContact O-N 3.38Å; T41-A44 VanDerWaalsContact O-N 3.16Å; T41-V45 HydrophobicContact CG2-CG2 4.37Å; T41-V45 WeakPolarHBondContact O-CG2 3.34Å; T41-V45 PolarHBondContact O-N 2.77Å; T41-A87 HydrophobicContact CG2-CB 3.37Å |
| 42 | F | 84.4 | Confident | 82.6 | Confident | 148 Ų | 148 | 58.4 Ų | 58.4 | 65% | 0.649 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -58.8 | -42 | 176 | -177.9 | -95.3 | 0 | 0 | 0 | 111.8 | E38 S46 | E38-F42 WeakPolarHBondContact O-CB 3.41Å; E38-F42 PolarHBondContact O-N 3.24Å; F42-S46 VanDerWaalsContact O-CB 3.22Å; F42-S46 WeakPolarHBondContact O-CB 3.48Å; F42-S46 PolarHBondContact O-N 2.71Å; F42-S46 PolarHBondContact O-OG 3.2Å |
| 43 | Y | 84.4 | Confident | 82.7 | Confident | 31 Ų | 31 | 64.8 Ų | 64.8 | 12% | 0.122 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.4 | -40.3 | 176.8 | -176.1 | -102.5 | 0 | 0 | 0 | 112.5 | R15 L19 K39 L40 T41 A47 K50 I54 | R15-Y43 HydrophobicContact CG-CE2 4.44Å; L19-Y43 HydrophobicContact CD1-CD1 3.69Å; L19-Y43 HydrophobicContact CD1-CD2 3.95Å; L19-Y43 HydrophobicContact CD1-CE1 4.22Å; L19-Y43 HydrophobicContact CD1-CE2 4.45Å; L19-Y43 HydrophobicContact CD1-CG 3.53Å; K39-Y43 VanDerWaalsContact O-CB 3.29Å; K39-Y43 WeakPolarHBondContact O-CB 3.44Å; K39-Y43 PolarHBondContact O-N 3.08Å; L40-Y43 PolarHBondContact O-N 3.24Å; T41-Y43 VanDerWaalsContact C-N 3.29Å; T41-Y43 PolarHBondContact O-N 3.42Å; Y43-A47 WeakPolarHBondContact O-CB 3.42Å; Y43-A47 PolarHBondContact O-N 2.72Å; Y43-A47 VanDerWaalsContact O-N 3.1Å; Y43-K50 HydrophobicContact CE1-CD 3.96Å; Y43-K50 WeakPolarHBondContact OH-CD 3.33Å; Y43-I54 HydrophobicContact CD1-CD1 4.11Å; Y43-I54 HydrophobicContact CE1-CD1 4.33Å |
| 44 | A | 83.3 | Confident | 82.8 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.008 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.2 | -43.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L40 T41 A47 L51 I54 L84 | L40-A44 VanDerWaalsContact O-CB 3.31Å; L40-A44 WeakPolarHBondContact O-CB 3.5Å; L40-A44 PolarHBondContact O-N 3.04Å; T41-A44 PolarHBondContact O-N 3.38Å; T41-A44 VanDerWaalsContact O-N 3.16Å; A44-A47 CarbonylContact O-C 3.49Å; A44-A47 PolarHBondContact O-N 2.76Å; A44-L51 HydrophobicContact CB-CD1 4Å; A44-I54 HydrophobicContact CB-CD1 4.45Å; A44-L84 HydrophobicContact CB-CD2 3.81Å |
| 45 | V | 81.5 | Confident | 82.9 | Confident | 79 Ų | 79 | 55.2 Ų | 55.2 | 48% | 0.479 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.9 | -39.1 | 175.8 | 173.9 | 0 | 0 | 0 | 0 | 111.5 | T41 A47 | T41-V45 HydrophobicContact CG2-CG2 4.37Å; T41-V45 WeakPolarHBondContact O-CG2 3.34Å; T41-V45 PolarHBondContact O-N 2.77Å; V45-A47 VanDerWaalsContact C-N 3.33Å; V45-A47 PolarHBondContact O-N 3.5Å |
| 46 | S | 82.5 | Confident | 83 | Confident | 74 Ų | 74 | 54.4 Ų | 54.4 | 52% | 0.517 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -74.2 | -20.9 | -179.8 | -58.4 | 0 | 0 | 0 | 0 | 114 | F42 | F42-S46 VanDerWaalsContact O-CB 3.22Å; F42-S46 WeakPolarHBondContact O-CB 3.48Å; F42-S46 PolarHBondContact O-N 2.71Å; F42-S46 PolarHBondContact O-OG 3.2Å |
| 47 | A | 81.2 | Confident | 83.1 | Confident | 8 Ų | 8 | 54.5 Ų | 54.5 | 7% | 0.066 | 27% | 0.271 | C | S | . | . | trans | -138.4 | 73.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y43 A44 V45 E49 K50 | Y43-A47 WeakPolarHBondContact O-CB 3.42Å; Y43-A47 PolarHBondContact O-N 2.72Å; Y43-A47 VanDerWaalsContact O-N 3.1Å; A44-A47 CarbonylContact O-C 3.49Å; A44-A47 PolarHBondContact O-N 2.76Å; V45-A47 VanDerWaalsContact C-N 3.33Å; V45-A47 PolarHBondContact O-N 3.5Å; A47-E49 VanDerWaalsContact C-OE2 3.3Å; A47-E49 WeakPolarHBondContact CB-OE1 3.45Å; A47-E49 PolarHBondContact O-N 3.28Å; A47-K50 HydrophobicContact CB-CB 4.49Å; A47-K50 HydrophobicContact CB-CD 4.06Å; A47-K50 HydrophobicContact CB-CG 4.28Å; A47-K50 WeakPolarHBondContact O-CB 3.39Å; A47-K50 PolarHBondContact O-N 2.94Å | ||
| 48 | P | 74.9 | Confident | 83.1 | Confident | 40 Ų | 40 | 54.5 Ų | 54.5 | 26% | 0.26 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -63 | -27.2 | -171.2 | -17.6 | 30.3 | 0 | 0 | 0 | 113.3 | K50 L51 S92 | P48-K50 PolarHBondContact O-N 3.43Å; P48-K50 VanDerWaalsContact O-N 3.15Å; P48-L51 WeakPolarHBondContact O-CB 3.45Å; P48-L51 PolarHBondContact O-N 3.39Å; P48-L51 VanDerWaalsContact O-N 3.14Å; P48-S92 WeakPolarHBondContact CB-OG 3.37Å |
| 49 | E | 76.4 | Confident | 83.1 | Confident | 120 Ų | 120 | 48.4 Ų | 48.4 | 56% | 0.561 | 25% | 0.245 | S | C | * | . | G | 310 helix | trans | -64.7 | -16.6 | 175.4 | 74.4 | -69.7 | 163.7 | 0 | 0 | 114.1 | A47 | A47-E49 VanDerWaalsContact C-OE2 3.3Å; A47-E49 WeakPolarHBondContact CB-OE1 3.45Å; A47-E49 PolarHBondContact O-N 3.28Å |
| 50 | K | 79.9 | Confident | 83.1 | Confident | 64 Ų | 64 | 46.7 Ų | 46.7 | 28% | 0.278 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -96.5 | -11.8 | 178.6 | -60.5 | -175.8 | -172.2 | 93.7 | 0 | 112.8 | Y43 A47 P48 D52 R53 I54 | Y43-K50 HydrophobicContact CE1-CD 3.96Å; Y43-K50 WeakPolarHBondContact OH-CD 3.33Å; A47-K50 HydrophobicContact CB-CB 4.49Å; A47-K50 HydrophobicContact CB-CD 4.06Å; A47-K50 HydrophobicContact CB-CG 4.28Å; A47-K50 WeakPolarHBondContact O-CB 3.39Å; A47-K50 PolarHBondContact O-N 2.94Å; P48-K50 PolarHBondContact O-N 3.43Å; P48-K50 VanDerWaalsContact O-N 3.15Å; K50-D52 VanDerWaalsContact C-N 3.29Å; K50-D52 PolarHBondContact O-N 3.39Å; K50-R53 PolarHBondContact O-N 2.94Å; K50-I54 WeakPolarHBondContact O-CG1 3.37Å; K50-I54 PolarHBondContact O-N 2.98Å |
| 51 | L | 82.4 | Confident | 83.2 | Confident | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.6 | -42.5 | -179.2 | -175.9 | 65.9 | 0 | 0 | 0 | 111.2 | A44 P48 R53 I54 G55 C88 I93 F96 | A44-L51 HydrophobicContact CB-CD1 4Å; P48-L51 WeakPolarHBondContact O-CB 3.45Å; P48-L51 PolarHBondContact O-N 3.39Å; P48-L51 VanDerWaalsContact O-N 3.14Å; L51-R53 PolarHBondContact O-N 2.99Å; L51-I54 WeakPolarHBondContact O-CB 3.43Å; L51-I54 PolarHBondContact O-N 3.23Å; L51-G55 PolarHBondContact O-N 3.47Å; L51-C88 HydrophobicContact CD1-CB 4.49Å; L51-C88 HydrophobicContact CD2-CB 3.88Å; L51-I93 HydrophobicContact CD2-CG1 4.43Å; L51-F96 HydrophobicContact CD1-CD1 4.5Å; L51-F96 HydrophobicContact CD1-CD2 3.82Å; L51-F96 HydrophobicContact CD1-CE2 4Å; L51-F96 HydrophobicContact CD1-CG 4.09Å; L51-F96 HydrophobicContact CD1-CZ 4.42Å; L51-F96 HydrophobicContact CD2-CB 3.92Å; L51-F96 HydrophobicContact CD2-CD1 4.23Å; L51-F96 HydrophobicContact CD2-CD2 4.48Å; L51-F96 HydrophobicContact CD2-CG 3.95Å; L51-F96 HydrophobicContact CG-CB 3.79Å; L51-F96 HydrophobicContact CG-CD1 4.32Å; L51-F96 HydrophobicContact CG-CD2 3.71Å; L51-F96 HydrophobicContact CG-CE2 4.39Å; L51-F96 HydrophobicContact CG-CG 3.67Å; L51-F96 WeakPolarHBondContact O-CD2 3.35Å |
| 52 | D | 78.9 | Confident | 83.3 | Confident | 65 Ų | 65 | 47.7 Ų | 47.7 | 35% | 0.348 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -56.6 | -48.2 | 174.8 | 178 | 46.4 | 0 | 0 | 0 | 112.5 | K50 I54 G55 A56 P95 | K50-D52 VanDerWaalsContact C-N 3.29Å; K50-D52 PolarHBondContact O-N 3.39Å; D52-I54 VanDerWaalsContact C-N 3.29Å; D52-I54 PolarHBondContact O-N 3.27Å; D52-G55 PolarHBondContact O-N 3.34Å; D52-A56 WeakPolarHBondContact O-CB 3.28Å; D52-A56 PolarHBondContact O-N 2.92Å; D52-P95 HydrophobicContact CB-CB 3.9Å; D52-P95 VanDerWaalsContact CG-CB 3.47Å; D52-P95 WeakPolarHBondContact OD1-CB 3.5Å |
| 53 | R | 83.9 | Confident | 83.4 | Confident | 153 Ų | 153 | 42.1 Ų | 42.1 | 58% | 0.577 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -65.9 | -32 | 178.7 | -63.6 | -178.4 | -179.1 | -179.2 | 0.2 | 112.8 | Y16 K50 L51 Y57 | Y16-R53 HydrophobicContact CE2-CB 4.13Å; K50-R53 PolarHBondContact O-N 2.94Å; L51-R53 PolarHBondContact O-N 2.99Å; R53-Y57 VanDerWaalsContact O-CB 3.32Å; R53-Y57 WeakPolarHBondContact O-CB 3.38Å; R53-Y57 PolarHBondContact O-N 3.06Å; R53-Y57 VanDerWaalsContact O-N 3.17Å |
| 54 | I | 85.7 | Confident | 83.6 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.8 | -48 | 173.8 | -68.4 | 166.1 | 0 | 0 | 0 | 109.5 | Y16 V20 L40 Y43 A44 K50 L51 D52 Y57 L58 L84 | Y16-I54 HydrophobicContact CD2-CG1 4.11Å; Y16-I54 HydrophobicContact CG-CG1 4.37Å; V20-I54 HydrophobicContact CG2-CG2 3.88Å; L40-I54 HydrophobicContact CD1-CD1 4.24Å; L40-I54 HydrophobicContact CD1-CG2 4.4Å; Y43-I54 HydrophobicContact CD1-CD1 4.11Å; Y43-I54 HydrophobicContact CE1-CD1 4.33Å; A44-I54 HydrophobicContact CB-CD1 4.45Å; K50-I54 WeakPolarHBondContact O-CG1 3.37Å; K50-I54 PolarHBondContact O-N 2.98Å; L51-I54 WeakPolarHBondContact O-CB 3.43Å; L51-I54 PolarHBondContact O-N 3.23Å; D52-I54 VanDerWaalsContact C-N 3.29Å; D52-I54 PolarHBondContact O-N 3.27Å; I54-Y57 PolarHBondContact O-N 2.97Å; I54-L58 HydrophobicContact CG2-CD1 3.96Å; I54-L58 WeakPolarHBondContact O-CG 3.19Å; I54-L58 PolarHBondContact O-N 3.46Å; I54-L84 HydrophobicContact CG2-CD1 3.89Å |
| 55 | G | 84.6 | Confident | 83.7 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.7 | -48.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | L51 D52 Y57 L58 A59 | L51-G55 PolarHBondContact O-N 3.47Å; D52-G55 PolarHBondContact O-N 3.34Å; G55-Y57 VanDerWaalsContact C-N 3.33Å; G55-Y57 PolarHBondContact O-N 3.37Å; G55-L58 PolarHBondContact O-N 2.93Å; G55-A59 WeakPolarHBondContact O-CB 3.44Å; G55-A59 PolarHBondContact O-N 3.28Å |
| 56 | A | 85.1 | Confident | 84 | Confident | 47 Ų | 47 | 42 Ų | 42 | 39% | 0.388 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.3 | -38.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | D52 A59 D60 | D52-A56 WeakPolarHBondContact O-CB 3.28Å; D52-A56 PolarHBondContact O-N 2.92Å; A56-A59 PolarHBondContact O-N 3.2Å; A56-D60 WeakPolarHBondContact O-CB 3.49Å; A56-D60 PolarHBondContact O-N 3.43Å |
| 57 | Y | 87.7 | Confident | 84.2 | Confident | 36 Ų | 36 | 43.6 Ų | 43.6 | 14% | 0.141 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -70.2 | -39.3 | 177.8 | -174.4 | -118.2 | 0 | 0 | 0 | 112.5 | K17 V20 D21 R53 I54 G55 A59 R61 | K17-Y57 HydrophobicContact CB-CD1 4.49Å; K17-Y57 HydrophobicContact CB-CE1 4.07Å; K17-Y57 HydrophobicContact CD-CD2 4.23Å; K17-Y57 HydrophobicContact CD-CE1 4.5Å; K17-Y57 HydrophobicContact CD-CE2 3.96Å; K17-Y57 HydrophobicContact CG-CD1 4.15Å; K17-Y57 HydrophobicContact CG-CD2 4.39Å; K17-Y57 HydrophobicContact CG-CE1 4.07Å; K17-Y57 HydrophobicContact CG-CE2 4.35Å; K17-Y57 HydrophobicContact CG-CG 4.31Å; V20-Y57 HydrophobicContact CB-CD1 3.97Å; V20-Y57 HydrophobicContact CB-CE1 4.12Å; V20-Y57 HydrophobicContact CG1-CD1 3.71Å; V20-Y57 HydrophobicContact CG1-CE1 3.88Å; V20-Y57 HydrophobicContact CG2-CD1 4.4Å; D21-Y57 PolarHBondContact OD1-OH 3.22Å; R53-Y57 VanDerWaalsContact O-CB 3.32Å; R53-Y57 WeakPolarHBondContact O-CB 3.38Å; R53-Y57 PolarHBondContact O-N 3.06Å; R53-Y57 VanDerWaalsContact O-N 3.17Å; I54-Y57 PolarHBondContact O-N 2.97Å; G55-Y57 VanDerWaalsContact C-N 3.33Å; G55-Y57 PolarHBondContact O-N 3.37Å; Y57-A59 VanDerWaalsContact C-N 3.35Å; Y57-R61 WeakPolarHBondContact O-CB 3.24Å; Y57-R61 PolarHBondContact O-N 2.87Å |
| 58 | L | 87.1 | Confident | 84.5 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.9 | -40.2 | 172.1 | -77.2 | 168.8 | 0 | 0 | 0 | 111.3 | V20 I23 F24 I54 G55 R61 L62 L81 L84 | V20-L58 HydrophobicContact CG1-CD2 3.48Å; V20-L58 VanDerWaalsContact CG1-CD2 3.48Å; V20-L58 HydrophobicContact CG1-CG 3.95Å; I23-L58 HydrophobicContact CD1-CD2 4.4Å; F24-L58 HydrophobicContact CE2-CD2 4.17Å; F24-L58 HydrophobicContact CZ-CD2 4.02Å; I54-L58 HydrophobicContact CG2-CD1 3.96Å; I54-L58 WeakPolarHBondContact O-CG 3.19Å; I54-L58 PolarHBondContact O-N 3.46Å; G55-L58 PolarHBondContact O-N 2.93Å; L58-R61 PolarHBondContact O-N 3.4Å; L58-L62 VanDerWaalsContact O-CB 3.3Å; L58-L62 WeakPolarHBondContact O-CB 3.46Å; L58-L62 PolarHBondContact O-N 3.43Å; L58-L81 HydrophobicContact CB-CD1 4.46Å; L58-L81 HydrophobicContact CB-CD2 3.92Å; L58-L81 HydrophobicContact CB-CG 4.36Å; L58-L81 HydrophobicContact CD1-CD2 3.56Å; L58-L81 HydrophobicContact CD1-CG 4.03Å; L58-L81 HydrophobicContact CG-CD2 4.36Å; L58-L84 HydrophobicContact CD1-CD1 3.93Å |
| 59 | A | 85 | Confident | 84.9 | Confident | 10 Ų | 10 | 54.9 Ų | 54.9 | 8% | 0.083 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.8 | -44.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | G55 A56 Y57 R61 S63 M103 | G55-A59 WeakPolarHBondContact O-CB 3.44Å; G55-A59 PolarHBondContact O-N 3.28Å; A56-A59 PolarHBondContact O-N 3.2Å; Y57-A59 VanDerWaalsContact C-N 3.35Å; A59-R61 VanDerWaalsContact C-N 3.34Å; A59-S63 VanDerWaalsContact O-CB 3.28Å; A59-S63 WeakPolarHBondContact O-CB 3.45Å; A59-S63 PolarHBondContact O-N 3.12Å; A59-S63 PolarHBondContact O-OG 2.87Å; A59-M103 WeakPolarHBondContact CA-SD 3.32Å; A59-M103 HydrophobicContact CB-CE 4.3Å; A59-M103 HydrophobicContact CB-CG 3.53Å; A59-M103 HydrophobicContact CB-SD 3.58Å; A59-M103 VanDerWaalsContact CB-SD 3.58Å |
| 60 | D | 85.8 | Confident | 85.4 | Confident | 76 Ų | 76 | 54 Ų | 54 | 41% | 0.406 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.3 | -37.7 | 175.2 | 171.3 | 50.9 | 0 | 0 | 0 | 111.7 | A56 R64 | A56-D60 WeakPolarHBondContact O-CB 3.49Å; A56-D60 PolarHBondContact O-N 3.43Å; D60-R64 WeakPolarHBondContact O-CG 3.3Å; D60-R64 PolarHBondContact O-N 3.5Å; D60-R64 IonicContact OD1-CZ 2.82Å; D60-R64 IonicContact OD1-NH1 3.49Å; D60-R64 PolarHBondContact OD1-NH1 3.03Å; D60-R64 IonicContact OD2-CZ 2.89Å; D60-R64 IonicContact OD2-NH1 2.75Å; D60-R64 PolarHBondContact OD2-NH1 3.44Å; D60-R64 IonicContact OD2-NH2 3.77Å; D60-R64 PolarHBondContact OD2-NH2 3.23Å |
| 61 | R | 87.4 | Confident | 85.7 | Confident | 47 Ų | 47 | 54.3 Ų | 54.3 | 18% | 0.177 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.5 | -50.2 | 174.5 | -173.3 | 176 | -174.3 | 145.4 | -3.7 | 112.4 | D21 Y57 L58 A59 S63 R64 D65 | D21-R61 IonicContact OD1-CZ 2.69Å; D21-R61 IonicContact OD1-NH1 3.46Å; D21-R61 PolarHBondContact OD1-NH1 3.24Å; Y57-R61 WeakPolarHBondContact O-CB 3.24Å; Y57-R61 PolarHBondContact O-N 2.87Å; L58-R61 PolarHBondContact O-N 3.4Å; A59-R61 VanDerWaalsContact C-N 3.34Å; R61-S63 VanDerWaalsContact C-N 3.31Å; R61-S63 PolarHBondContact O-N 2.84Å; R61-R64 WeakPolarHBondContact O-CB 3.46Å; R61-R64 PolarHBondContact O-N 3.1Å; R61-D65 PolarHBondContact O-N 3.43Å |
| 62 | L | 88.2 | Confident | 85.8 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.4 | -46.3 | 177.6 | -178.3 | 150.9 | 0 | 0 | 0 | 110.7 | L58 R64 D65 V66 V74 A77 M78 L81 M103 L107 | L58-L62 VanDerWaalsContact O-CB 3.3Å; L58-L62 WeakPolarHBondContact O-CB 3.46Å; L58-L62 PolarHBondContact O-N 3.43Å; L62-R64 VanDerWaalsContact C-N 3.31Å; L62-R64 PolarHBondContact O-N 2.89Å; L62-D65 PolarHBondContact O-N 3.13Å; L62-V66 HydrophobicContact CD2-CG2 3.82Å; L62-V66 HydrophobicContact CG-CG2 4.43Å; L62-V66 WeakPolarHBondContact O-CG2 3.41Å; L62-V66 PolarHBondContact O-N 2.82Å; L62-V74 HydrophobicContact CD1-CG1 4.26Å; L62-V74 HydrophobicContact CG-CG1 4.18Å; L62-A77 HydrophobicContact CB-CB 4.31Å; L62-A77 HydrophobicContact CD1-CB 4.05Å; L62-M78 HydrophobicContact CD1-CG 3.74Å; L62-M78 HydrophobicContact CD1-SD 3.42Å; L62-M78 WeakPolarHBondContact CD1-SD 3.35Å; L62-L81 HydrophobicContact CD1-CD1 4.39Å; L62-M103 HydrophobicContact CB-SD 4.2Å; L62-M103 HydrophobicContact CD1-CB 4.23Å; L62-M103 HydrophobicContact CD1-CG 4.4Å; L62-M103 HydrophobicContact CD1-SD 4.05Å; L62-M103 HydrophobicContact CD2-CB 4.15Å; L62-M103 HydrophobicContact CD2-CG 4.24Å; L62-L107 HydrophobicContact CD2-CD2 4.14Å; L62-L107 HydrophobicContact CD2-CG 4.47Å |
| 63 | S | 85.8 | Confident | 86.1 | Confident | 32 Ų | 32 | 54.5 Ų | 54.5 | 22% | 0.224 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.4 | -42 | 178.5 | -61.5 | 0 | 0 | 0 | 0 | 112.1 | A59 R61 V67 | A59-S63 VanDerWaalsContact O-CB 3.28Å; A59-S63 WeakPolarHBondContact O-CB 3.45Å; A59-S63 PolarHBondContact O-N 3.12Å; A59-S63 PolarHBondContact O-OG 2.87Å; R61-S63 VanDerWaalsContact C-N 3.31Å; R61-S63 PolarHBondContact O-N 2.84Å; S63-V67 WeakPolarHBondContact O-CG2 3.41Å; S63-V67 PolarHBondContact O-N 3.11Å |
| 64 | R | 87.5 | Confident | 86.3 | Confident | 88 Ų | 88 | 47.2 Ų | 47.2 | 33% | 0.332 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.4 | -38.8 | 173.5 | -76.8 | -171.6 | -67.1 | -98.3 | -8 | 113 | D60 R61 L62 V67 R68 | D60-R64 WeakPolarHBondContact O-CG 3.3Å; D60-R64 PolarHBondContact O-N 3.5Å; D60-R64 IonicContact OD1-CZ 2.82Å; D60-R64 IonicContact OD1-NH1 3.49Å; D60-R64 PolarHBondContact OD1-NH1 3.03Å; D60-R64 IonicContact OD2-CZ 2.89Å; D60-R64 IonicContact OD2-NH1 2.75Å; D60-R64 PolarHBondContact OD2-NH1 3.44Å; D60-R64 IonicContact OD2-NH2 3.77Å; D60-R64 PolarHBondContact OD2-NH2 3.23Å; R61-R64 WeakPolarHBondContact O-CB 3.46Å; R61-R64 PolarHBondContact O-N 3.1Å; L62-R64 VanDerWaalsContact C-N 3.31Å; L62-R64 PolarHBondContact O-N 2.89Å; R64-V67 PolarHBondContact O-N 2.91Å; R64-R68 WeakPolarHBondContact O-CB 3.46Å; R64-R68 VanDerWaalsContact O-CG 3.22Å; R64-R68 WeakPolarHBondContact O-CG 3.42Å; R64-R68 PolarHBondContact O-N 3.35Å |
| 65 | D | 87.1 | Confident | 86.3 | Confident | 3 Ų | 3 | 49.8 Ų | 49.8 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -74.6 | -32.3 | -176.6 | -71.3 | -27.5 | 0 | 0 | 0 | 112.5 | R61 L62 R68 H69 R70 V74 | R61-D65 PolarHBondContact O-N 3.43Å; L62-D65 PolarHBondContact O-N 3.13Å; D65-R68 PolarHBondContact O-N 3.47Å; D65-H69 PolarHBondContact O-N 3.33Å; D65-R70 PolarHBondContact O-N 2.8Å; D65-R70 IonicContact OD1-CZ 3.73Å; D65-R70 IonicContact OD1-NE 2.77Å; D65-R70 PolarHBondContact OD1-NE 3.49Å; D65-R70 VanDerWaalsContact OD1-NE 3.14Å; D65-R70 IonicContact OD1-NH2 3.6Å; D65-R70 PolarHBondContact OD1-NH2 3.07Å; D65-V74 HydrophobicContact CB-CG2 3.84Å |
| 66 | V | 86.8 | Confident | 86.5 | Confident | 16 Ų | 16 | 49.9 Ų | 49.9 | 10% | 0.097 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.8 | -50.3 | 168.4 | 172.6 | 0 | 0 | 0 | 0 | 110.6 | L62 R68 H69 V74 L107 | L62-V66 HydrophobicContact CD2-CG2 3.82Å; L62-V66 HydrophobicContact CG-CG2 4.43Å; L62-V66 WeakPolarHBondContact O-CG2 3.41Å; L62-V66 PolarHBondContact O-N 2.82Å; V66-R68 PolarHBondContact O-N 2.83Å; V66-H69 PolarHBondContact O-N 2.99Å; V66-H69 VanDerWaalsContact O-N 3.12Å; V66-V74 HydrophobicContact CG2-CG1 4.07Å; V66-V74 HydrophobicContact CG2-CG2 3.78Å; V66-L107 HydrophobicContact CG2-CD2 3.86Å |
| 67 | V | 86.1 | Confident | 86.7 | Confident | 108 Ų | 108 | 47.7 Ų | 47.7 | 66% | 0.655 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -63.7 | -29.4 | 179 | 173.4 | 0 | 0 | 0 | 0 | 112.3 | S63 R64 H69 | S63-V67 WeakPolarHBondContact O-CG2 3.41Å; S63-V67 PolarHBondContact O-N 3.11Å; R64-V67 PolarHBondContact O-N 2.91Å; V67-H69 VanDerWaalsContact C-N 3.32Å |
| 68 | R | 87.8 | Confident | 86.7 | Confident | 152 Ų | 152 | 46 Ų | 46 | 57% | 0.574 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | 5.8 | 178.6 | -70.3 | 175.1 | 177.6 | -172.4 | -1.7 | 113.9 | R64 D65 V66 R70 | R64-R68 WeakPolarHBondContact O-CB 3.46Å; R64-R68 VanDerWaalsContact O-CG 3.22Å; R64-R68 WeakPolarHBondContact O-CG 3.42Å; R64-R68 PolarHBondContact O-N 3.35Å; D65-R68 PolarHBondContact O-N 3.47Å; V66-R68 PolarHBondContact O-N 2.83Å; R68-R70 HydrophobicContact CB-CG 4.1Å; R68-R70 PolarHBondContact O-N 2.99Å |
| 69 | H | 84.7 | Confident | 86.7 | Confident | 133 Ų | 133 | 49.4 Ų | 49.4 | 62% | 0.616 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 33 | -177.5 | -56 | -72.7 | 0 | 0 | 0 | 113.9 | D65 V66 V67 Y71 | D65-H69 PolarHBondContact O-N 3.33Å; V66-H69 PolarHBondContact O-N 2.99Å; V66-H69 VanDerWaalsContact O-N 3.12Å; V67-H69 VanDerWaalsContact C-N 3.32Å; H69-Y71 HydrophobicContact CB-CE1 4.44Å; H69-Y71 AromaticContact ND1-CZ 3.75Å; H69-Y71 PolarHBondContact ND1-OH 3.28Å; H69-Y71 PolarHBondContact O-N 3.44Å |
| 70 | R | 86.1 | Confident | 86.8 | Confident | 101 Ų | 101 | 49 Ų | 49 | 38% | 0.381 | 23% | 0.234 | S | C | . | . | trans | -99.2 | 65.9 | 179 | -59.4 | -166.9 | -68.1 | -179.9 | -4.2 | 111.3 | D65 R68 G72 Y73 V74 | D65-R70 PolarHBondContact O-N 2.8Å; D65-R70 IonicContact OD1-CZ 3.73Å; D65-R70 IonicContact OD1-NE 2.77Å; D65-R70 PolarHBondContact OD1-NE 3.49Å; D65-R70 VanDerWaalsContact OD1-NE 3.14Å; D65-R70 IonicContact OD1-NH2 3.6Å; D65-R70 PolarHBondContact OD1-NH2 3.07Å; R68-R70 HydrophobicContact CB-CG 4.1Å; R68-R70 PolarHBondContact O-N 2.99Å; R70-G72 VanDerWaalsContact C-N 3.31Å; R70-G72 PolarHBondContact O-N 2.95Å; R70-Y73 HydrophobicContact CB-CD2 3.92Å; R70-Y73 PolarHBondContact O-N 3.28Å; R70-V74 PolarHBondContact O-N 3.3Å | ||
| 71 | Y | 85.8 | Confident | 86.8 | Confident | 72 Ų | 72 | 45.3 Ų | 45.3 | 28% | 0.282 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.5 | -31.3 | -168.7 | -52.4 | -45.8 | 0 | 0 | 0 | 114.5 | H69 Y73 V74 V75 E112 L115 | H69-Y71 HydrophobicContact CB-CE1 4.44Å; H69-Y71 AromaticContact ND1-CZ 3.75Å; H69-Y71 PolarHBondContact ND1-OH 3.28Å; H69-Y71 PolarHBondContact O-N 3.44Å; Y71-Y73 VanDerWaalsContact C-N 3.32Å; Y71-Y73 PolarHBondContact O-N 3.38Å; Y71-V74 WeakPolarHBondContact O-CA 3.43Å; Y71-V74 VanDerWaalsContact O-CB 3.32Å; Y71-V74 WeakPolarHBondContact O-CB 3.43Å; Y71-V74 PolarHBondContact O-N 2.94Å; Y71-V75 PolarHBondContact O-N 2.95Å; Y71-E112 HydrophobicContact CE1-CG 4.43Å; Y71-E112 HydrophobicContact CE2-CG 4.3Å; Y71-E112 WeakPolarHBondContact OH-CG 3.5Å; Y71-E112 PolarHBondContact OH-OE1 3.14Å; Y71-L115 HydrophobicContact CD1-CD1 3.7Å; Y71-L115 HydrophobicContact CD1-CD2 4.03Å; Y71-L115 HydrophobicContact CD1-CG 4.2Å; Y71-L115 HydrophobicContact CE1-CD1 3.59Å; Y71-L115 HydrophobicContact CE1-CG 4.44Å; Y71-L115 HydrophobicContact CG-CD2 4.47Å |
| 72 | G | 84.5 | Confident | 86.7 | Confident | 31 Ų | 31 | 43.4 Ų | 43.4 | 32% | 0.32 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.4 | -38.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | R70 V74 V75 I76 | R70-G72 VanDerWaalsContact C-N 3.31Å; R70-G72 PolarHBondContact O-N 2.95Å; G72-V74 VanDerWaalsContact C-N 3.32Å; G72-V75 PolarHBondContact O-N 3.14Å; G72-I76 WeakPolarHBondContact O-CG1 3.3Å; G72-I76 PolarHBondContact O-N 3.39Å |
| 73 | Y | 85.3 | Confident | 86.7 | Confident | 39 Ų | 39 | 47.5 Ų | 47.5 | 15% | 0.153 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -74.1 | -25.1 | 174.3 | -62.9 | -60.1 | 0 | 0 | 0 | 112.7 | F24 P25 L26 P28 R70 Y71 I76 A77 | F24-Y73 HydrophobicContact CD1-CD1 4.28Å; P25-Y73 WeakPolarHBondContact O-CE1 3.39Å; L26-Y73 PolarHBondContact O-OH 3.45Å; P28-Y73 HydrophobicContact CB-CD1 4.42Å; P28-Y73 HydrophobicContact CB-CE1 4.32Å; P28-Y73 HydrophobicContact CG-CD1 4.15Å; P28-Y73 HydrophobicContact CG-CD2 4.13Å; P28-Y73 HydrophobicContact CG-CE1 3.73Å; P28-Y73 HydrophobicContact CG-CE2 3.7Å; P28-Y73 HydrophobicContact CG-CG 4.34Å; P28-Y73 VanDerWaalsContact CG-CZ 3.49Å; R70-Y73 HydrophobicContact CB-CD2 3.92Å; R70-Y73 PolarHBondContact O-N 3.28Å; Y71-Y73 VanDerWaalsContact C-N 3.32Å; Y71-Y73 PolarHBondContact O-N 3.38Å; Y73-I76 HydrophobicContact CD1-CD1 4.49Å; Y73-A77 WeakPolarHBondContact O-CB 3.23Å; Y73-A77 PolarHBondContact O-N 3.36Å |
| 74 | V | 87.5 | Confident | 86.7 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.9 | -42.1 | 173.9 | 177.5 | 0 | 0 | 0 | 0 | 110.6 | L62 D65 V66 R70 Y71 G72 A77 M78 L107 L115 L118 | L62-V74 HydrophobicContact CD1-CG1 4.26Å; L62-V74 HydrophobicContact CG-CG1 4.18Å; D65-V74 HydrophobicContact CB-CG2 3.84Å; V66-V74 HydrophobicContact CG2-CG1 4.07Å; V66-V74 HydrophobicContact CG2-CG2 3.78Å; R70-V74 PolarHBondContact O-N 3.3Å; Y71-V74 WeakPolarHBondContact O-CA 3.43Å; Y71-V74 VanDerWaalsContact O-CB 3.32Å; Y71-V74 WeakPolarHBondContact O-CB 3.43Å; Y71-V74 PolarHBondContact O-N 2.94Å; G72-V74 VanDerWaalsContact C-N 3.32Å; V74-A77 PolarHBondContact O-N 3.19Å; V74-M78 PolarHBondContact O-N 3.3Å; V74-L107 HydrophobicContact CG1-CD2 3.53Å; V74-L115 HydrophobicContact CG1-CD2 4.02Å; V74-L118 HydrophobicContact CG1-CD2 4.41Å |
| 75 | V | 87.6 | Confident | 86.5 | Confident | 54 Ų | 54 | 41.8 Ų | 41.8 | 33% | 0.327 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -58.2 | -50.8 | 173.9 | 176.4 | 0 | 0 | 0 | 0 | 110.5 | Y71 G72 A77 M78 E79 L118 | Y71-V75 PolarHBondContact O-N 2.95Å; G72-V75 PolarHBondContact O-N 3.14Å; V75-A77 VanDerWaalsContact C-N 3.31Å; V75-A77 PolarHBondContact O-N 3.11Å; V75-M78 PolarHBondContact O-N 3.4Å; V75-E79 HydrophobicContact CG1-CG 4.41Å; V75-E79 WeakPolarHBondContact O-CG 3.38Å; V75-E79 PolarHBondContact O-N 2.98Å; V75-L118 HydrophobicContact CG2-CD2 4.03Å |
| 76 | I | 87.6 | Confident | 86.2 | Confident | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.015 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.3 | -41.4 | 178.9 | -63.9 | 172.8 | 0 | 0 | 0 | 111.5 | F24 P25 L32 G72 Y73 E79 A80 | F24-I76 HydrophobicContact CD1-CB 4.29Å; F24-I76 HydrophobicContact CD1-CG2 3.76Å; F24-I76 HydrophobicContact CE1-CB 4.28Å; F24-I76 HydrophobicContact CE1-CG2 3.9Å; P25-I76 HydrophobicContact CG-CD1 3.91Å; L32-I76 HydrophobicContact CB-CG2 4.19Å; L32-I76 HydrophobicContact CD1-CG2 3.69Å; G72-I76 WeakPolarHBondContact O-CG1 3.3Å; G72-I76 PolarHBondContact O-N 3.39Å; Y73-I76 HydrophobicContact CD1-CD1 4.49Å; I76-E79 PolarHBondContact O-N 3.23Å; I76-A80 WeakPolarHBondContact O-CB 3.13Å; I76-A80 PolarHBondContact O-N 3.19Å |
| 77 | A | 88.6 | Confident | 85.9 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.9 | -45.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | F24 L62 Y73 V74 V75 A80 L81 | F24-A77 HydrophobicContact CE1-CB 3.96Å; F24-A77 HydrophobicContact CZ-CB 4Å; L62-A77 HydrophobicContact CB-CB 4.31Å; L62-A77 HydrophobicContact CD1-CB 4.05Å; Y73-A77 WeakPolarHBondContact O-CB 3.23Å; Y73-A77 PolarHBondContact O-N 3.36Å; V74-A77 PolarHBondContact O-N 3.19Å; V75-A77 VanDerWaalsContact C-N 3.31Å; V75-A77 PolarHBondContact O-N 3.11Å; A77-A80 PolarHBondContact O-N 3.42Å; A77-L81 VanDerWaalsContact O-CD1 3.23Å; A77-L81 WeakPolarHBondContact O-CD1 3.41Å; A77-L81 VanDerWaalsContact O-CG 3.22Å; A77-L81 WeakPolarHBondContact O-CG 3.36Å; A77-L81 PolarHBondContact O-N 3.43Å |
| 78 | M | 88.2 | Confident | 85.3 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.1 | -40.7 | 177.1 | -73.9 | -54.8 | -62.2 | 0 | 0 | 112.9 | L62 V74 V75 A80 L81 D82 F100 M103 V104 L107 L118 S122 | L62-M78 HydrophobicContact CD1-CG 3.74Å; L62-M78 HydrophobicContact CD1-SD 3.42Å; L62-M78 WeakPolarHBondContact CD1-SD 3.35Å; V74-M78 PolarHBondContact O-N 3.3Å; V75-M78 PolarHBondContact O-N 3.4Å; M78-A80 VanDerWaalsContact C-N 3.33Å; M78-A80 PolarHBondContact O-N 2.9Å; M78-L81 WeakPolarHBondContact O-CB 3.34Å; M78-L81 PolarHBondContact O-N 2.9Å; M78-L81 HydrophobicContact SD-CD1 3.96Å; M78-D82 PolarHBondContact O-N 3.43Å; M78-F100 HydrophobicContact CE-CE2 4.28Å; M78-M103 HydrophobicContact SD-CB 4.39Å; M78-V104 HydrophobicContact CE-CG2 4.01Å; M78-L107 HydrophobicContact CE-CD1 3.97Å; M78-L107 HydrophobicContact CG-CD1 3.46Å; M78-L107 VanDerWaalsContact CG-CD1 3.46Å; M78-L107 HydrophobicContact SD-CD1 3.52Å; M78-L107 VanDerWaalsContact SD-CD1 3.52Å; M78-L118 HydrophobicContact CB-CD1 4.33Å; M78-L118 HydrophobicContact CB-CD2 4.11Å; M78-L118 HydrophobicContact CB-CG 4.25Å; M78-L118 HydrophobicContact CG-CD2 3.92Å; M78-L118 HydrophobicContact CG-CG 4.23Å; M78-S122 WeakPolarHBondContact CE-OG 3.3Å |
| 79 | E | 86.7 | Confident | 84.4 | Confident | 73 Ų | 73 | 39.6 Ų | 39.6 | 34% | 0.341 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -60.7 | -42.5 | 175 | -74.3 | 178.1 | -177.2 | 0 | 0 | 112 | L32 V75 I76 L81 D82 Q83 | L32-E79 HydrophobicContact CD2-CB 4.1Å; V75-E79 HydrophobicContact CG1-CG 4.41Å; V75-E79 WeakPolarHBondContact O-CG 3.38Å; V75-E79 PolarHBondContact O-N 2.98Å; I76-E79 PolarHBondContact O-N 3.23Å; E79-L81 VanDerWaalsContact C-N 3.31Å; E79-L81 PolarHBondContact O-N 3.43Å; E79-D82 PolarHBondContact O-N 2.94Å; E79-Q83 WeakPolarHBondContact O-CG 3.46Å; E79-Q83 PolarHBondContact O-N 3.03Å |
| 80 | A | 87.2 | Confident | 83.3 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.6 | -39.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | I23 L32 M37 I76 A77 M78 Q83 L84 | I23-A80 HydrophobicContact CD1-CB 3.5Å; I23-A80 VanDerWaalsContact CD1-CB 3.5Å; L32-A80 HydrophobicContact CD1-CB 3.96Å; L32-A80 HydrophobicContact CD2-CB 4.37Å; M37-A80 HydrophobicContact CE-CB 4.4Å; M37-A80 WeakPolarHBondContact CE-O 3.42Å; M37-A80 HydrophobicContact SD-CB 3.74Å; I76-A80 WeakPolarHBondContact O-CB 3.13Å; I76-A80 PolarHBondContact O-N 3.19Å; A77-A80 PolarHBondContact O-N 3.42Å; M78-A80 VanDerWaalsContact C-N 3.33Å; M78-A80 PolarHBondContact O-N 2.9Å; A80-Q83 PolarHBondContact O-N 3.42Å; A80-L84 VanDerWaalsContact O-CG 3.31Å; A80-L84 WeakPolarHBondContact O-CG 3.28Å; A80-L84 PolarHBondContact O-N 3.46Å |
| 81 | L | 86.5 | Confident | 81.9 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.3 | -43.2 | 178.2 | -73.1 | 158.5 | 0 | 0 | 0 | 112.7 | L58 L62 A77 M78 E79 Q83 L84 L85 F96 F100 M103 | L58-L81 HydrophobicContact CB-CD1 4.46Å; L58-L81 HydrophobicContact CB-CD2 3.92Å; L58-L81 HydrophobicContact CB-CG 4.36Å; L58-L81 HydrophobicContact CD1-CD2 3.56Å; L58-L81 HydrophobicContact CD1-CG 4.03Å; L58-L81 HydrophobicContact CG-CD2 4.36Å; L62-L81 HydrophobicContact CD1-CD1 4.39Å; A77-L81 VanDerWaalsContact O-CD1 3.23Å; A77-L81 WeakPolarHBondContact O-CD1 3.41Å; A77-L81 VanDerWaalsContact O-CG 3.22Å; A77-L81 WeakPolarHBondContact O-CG 3.36Å; A77-L81 PolarHBondContact O-N 3.43Å; M78-L81 WeakPolarHBondContact O-CB 3.34Å; M78-L81 PolarHBondContact O-N 2.9Å; M78-L81 HydrophobicContact SD-CD1 3.96Å; E79-L81 VanDerWaalsContact C-N 3.31Å; E79-L81 PolarHBondContact O-N 3.43Å; L81-Q83 VanDerWaalsContact C-N 3.31Å; L81-Q83 PolarHBondContact O-N 3.05Å; L81-L84 PolarHBondContact O-N 3.45Å; L81-L85 VanDerWaalsContact O-CB 3.24Å; L81-L85 WeakPolarHBondContact O-CB 3.38Å; L81-L85 PolarHBondContact O-N 2.92Å; L81-F96 HydrophobicContact CD2-CE2 4.08Å; L81-F96 HydrophobicContact CD2-CZ 4.02Å; L81-F100 HydrophobicContact CB-CD2 4.16Å; L81-F100 HydrophobicContact CB-CE2 4.37Å; L81-M103 HydrophobicContact CD1-CE 3.12Å; L81-M103 HydrophobicContact CD1-SD 3.25Å; L81-M103 WeakPolarHBondContact CD1-SD 3.39Å; L81-M103 HydrophobicContact CD2-CE 3.52Å; L81-M103 HydrophobicContact CD2-SD 4.39Å; L81-M103 HydrophobicContact CG-CE 3.87Å; L81-M103 HydrophobicContact CG-SD 4.4Å |
| 82 | D | 85.9 | Confident | 80.6 | Confident | 6 Ų | 6 | 37.7 Ų | 37.7 | 3% | 0.032 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.8 | -44.5 | 174.1 | -73.2 | -10.6 | 0 | 0 | 0 | 110.6 | M78 E79 L85 M86 S122 K125 | M78-D82 PolarHBondContact O-N 3.43Å; E79-D82 PolarHBondContact O-N 2.94Å; D82-L85 PolarHBondContact O-N 2.96Å; D82-M86 WeakPolarHBondContact O-CB 3.44Å; D82-M86 VanDerWaalsContact O-CG 3.24Å; D82-M86 WeakPolarHBondContact O-CG 3.32Å; D82-M86 PolarHBondContact O-N 3.21Å; D82-S122 VanDerWaalsContact CG-OG 3.3Å; D82-S122 WeakPolarHBondContact OD1-CB 3.14Å; D82-S122 PolarHBondContact OD1-OG 3.03Å; D82-S122 PolarHBondContact OD2-OG 2.95Å; D82-K125 HydrophobicContact CB-CD 4.14Å; D82-K125 WeakPolarHBondContact OD2-CD 3.41Å; D82-K125 IonicContact OD2-NZ 2.64Å; D82-K125 PolarHBondContact OD2-NZ 3.01Å |
| 83 | Q | 87.1 | Confident | 79.9 | Confident | 86 Ų | 86 | 37 Ų | 37 | 40% | 0.402 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -66.1 | -40.3 | 178.1 | -73.6 | -172.9 | 35.6 | 0 | 0 | 112.8 | M37 E79 A80 L81 L85 A87 | M37-Q83 HydrophobicContact CE-CB 4.1Å; E79-Q83 WeakPolarHBondContact O-CG 3.46Å; E79-Q83 PolarHBondContact O-N 3.03Å; A80-Q83 PolarHBondContact O-N 3.42Å; L81-Q83 VanDerWaalsContact C-N 3.31Å; L81-Q83 PolarHBondContact O-N 3.05Å; Q83-L85 VanDerWaalsContact C-N 3.35Å; Q83-A87 WeakPolarHBondContact O-CB 3.45Å; Q83-A87 PolarHBondContact O-N 3.39Å; Q83-A87 VanDerWaalsContact O-N 3.08Å |
| 84 | L | 85.8 | Confident | 79.3 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.8 | -41.1 | 174.7 | -72.6 | 174.1 | 0 | 0 | 0 | 111.8 | M37 L40 A44 I54 L58 A80 L81 A87 C88 F96 | M37-L84 HydrophobicContact CE-CD1 4.34Å; M37-L84 HydrophobicContact CE-CD2 3.69Å; M37-L84 HydrophobicContact CE-CG 3.59Å; L40-L84 HydrophobicContact CD2-CD1 4.34Å; L40-L84 HydrophobicContact CG-CD2 4.34Å; A44-L84 HydrophobicContact CB-CD2 3.81Å; I54-L84 HydrophobicContact CG2-CD1 3.89Å; L58-L84 HydrophobicContact CD1-CD1 3.93Å; A80-L84 VanDerWaalsContact O-CG 3.31Å; A80-L84 WeakPolarHBondContact O-CG 3.28Å; A80-L84 PolarHBondContact O-N 3.46Å; L81-L84 PolarHBondContact O-N 3.45Å; L84-A87 PolarHBondContact O-N 2.91Å; L84-C88 VanDerWaalsContact O-CB 3.3Å; L84-C88 WeakPolarHBondContact O-CB 3.38Å; L84-C88 PolarHBondContact O-N 3.24Å; L84-C88 PolarHBondContact O-SG 3.38Å; L84-F96 HydrophobicContact CB-CE1 4.35Å; L84-F96 HydrophobicContact CB-CE2 4.41Å; L84-F96 HydrophobicContact CB-CZ 3.7Å; L84-F96 HydrophobicContact CD1-CE2 4.36Å; L84-F96 HydrophobicContact CD1-CZ 4.36Å |
| 85 | L | 83.4 | Confident | 78.6 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.8 | -44.8 | 177.9 | -178.4 | 70.6 | 0 | 0 | 0 | 111.5 | L81 D82 Q83 A87 I93 F96 V97 F100 F126 I129 | L81-L85 VanDerWaalsContact O-CB 3.24Å; L81-L85 WeakPolarHBondContact O-CB 3.38Å; L81-L85 PolarHBondContact O-N 2.92Å; D82-L85 PolarHBondContact O-N 2.96Å; Q83-L85 VanDerWaalsContact C-N 3.35Å; L85-A87 VanDerWaalsContact C-N 3.3Å; L85-A87 PolarHBondContact O-N 3.19Å; L85-I93 HydrophobicContact CD1-CD1 4.22Å; L85-F96 HydrophobicContact CB-CE1 4.12Å; L85-F96 HydrophobicContact CD1-CD1 4.48Å; L85-F96 HydrophobicContact CD1-CE1 4.2Å; L85-V97 HydrophobicContact CD1-CG2 4.09Å; L85-F100 HydrophobicContact CD2-CD1 4.31Å; L85-F100 HydrophobicContact CD2-CD2 4.36Å; L85-F100 HydrophobicContact CD2-CE1 3.95Å; L85-F100 HydrophobicContact CD2-CE2 3.98Å; L85-F100 HydrophobicContact CD2-CZ 3.75Å; L85-F126 HydrophobicContact CD1-CD2 4.12Å; L85-F126 HydrophobicContact CD2-CB 3.69Å; L85-F126 HydrophobicContact CD2-CD2 3.89Å; L85-F126 HydrophobicContact CD2-CG 4.29Å; L85-I129 HydrophobicContact CD1-CD1 4.21Å; L85-I129 HydrophobicContact CD2-CD1 3.9Å; L85-I129 HydrophobicContact CG-CD1 3.63Å |
| 86 | M | 81.5 | Confident | 78.2 | Confident | 100 Ų | 100 | 40.6 Ų | 40.6 | 49% | 0.493 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -74.4 | -16.3 | 178.8 | -65.3 | -62 | -67.3 | 0 | 0 | 113.8 | D82 H89 I129 | D82-M86 WeakPolarHBondContact O-CB 3.44Å; D82-M86 VanDerWaalsContact O-CG 3.24Å; D82-M86 WeakPolarHBondContact O-CG 3.32Å; D82-M86 PolarHBondContact O-N 3.21Å; M86-H89 PolarHBondContact O-CE1 3.18Å; M86-I129 HydrophobicContact SD-CD1 3.82Å; M86-I129 HydrophobicContact SD-CG1 3.78Å |
| 87 | A | 81 | Confident | 78 | Confident | 37 Ų | 37 | 40.4 Ų | 40.4 | 31% | 0.306 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -100.3 | -21.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | T41 Q83 L84 L85 | T41-A87 HydrophobicContact CG2-CB 3.37Å; Q83-A87 WeakPolarHBondContact O-CB 3.45Å; Q83-A87 PolarHBondContact O-N 3.39Å; Q83-A87 VanDerWaalsContact O-N 3.08Å; L84-A87 PolarHBondContact O-N 2.91Å; L85-A87 VanDerWaalsContact C-N 3.3Å; L85-A87 PolarHBondContact O-N 3.19Å |
| 88 | C | 73.8 | Confident | 77.6 | Confident | 7 Ų | 7 | 45.4 Ų | 45.4 | 5% | 0.047 | 23% | 0.233 | C | C | . | . | trans | -111.1 | 106.2 | -172.7 | -58.8 | 0 | 0 | 0 | 0 | 111.3 | L51 L84 I93 | L51-C88 HydrophobicContact CD1-CB 4.49Å; L51-C88 HydrophobicContact CD2-CB 3.88Å; L84-C88 VanDerWaalsContact O-CB 3.3Å; L84-C88 WeakPolarHBondContact O-CB 3.38Å; L84-C88 PolarHBondContact O-N 3.24Å; L84-C88 PolarHBondContact O-SG 3.38Å; C88-I93 WeakPolarHBondContact O-CD1 3.42Å | ||
| 89 | H | 68.2 | Low | 77.3 | Confident | 89 Ų | 89 | 46.4 Ų | 46.4 | 41% | 0.412 | 24% | 0.239 | S | C | . | . | trans | -115.9 | 34.6 | -173.1 | -70.2 | 112.8 | 0 | 0 | 0 | 113.3 | M86 E131 | M86-H89 PolarHBondContact O-CE1 3.18Å; H89-E131 WeakPolarHBondContact CA-OE2 3.09Å; H89-E131 VanDerWaalsContact CB-OE1 3.23Å; H89-E131 WeakPolarHBondContact CB-OE1 3.45Å; H89-E131 WeakPolarHBondContact CB-OE2 3.49Å; H89-E131 IonicContact CD2-OE1 2.7Å; H89-E131 PolarHBondContact CD2-OE1 3.08Å; H89-E131 IonicContact CD2-OE2 3.19Å; H89-E131 PolarHBondContact CD2-OE2 2.88Å; H89-E131 IonicContact CG-OE1 3.25Å; H89-E131 IonicContact CG-OE2 3.38Å | ||
| 90 | S | 60.4 | Low | 77.3 | Confident | 49 Ų | 49 | 42.9 Ų | 42.9 | 34% | 0.343 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -96 | 156.9 | -173.2 | 169 | 0 | 0 | 0 | 0 | 112.4 | S92 I93 | S90-S92 WeakPolarHBondContact CB-OG 3.5Å; S90-S92 PolarHBondContact O-N 3.41Å; S90-S92 PolarHBondContact OG-N 3.15Å; S90-S92 PolarHBondContact OG-OG 3.45Å; S90-I93 VanDerWaalsContact O-CB 3.28Å; S90-I93 WeakPolarHBondContact O-CB 3.49Å; S90-I93 WeakPolarHBondContact O-CG2 3.21Å; S90-I93 PolarHBondContact O-N 3.11Å |
| 91 | Q | 56.9 | Low | 77.3 | Confident | 184 Ų | 184 | 42.9 Ų | 42.9 | 86% | 0.86 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -18 | 170.6 | -70 | 179.6 | -6 | 0 | 0 | 114.6 | ||
| 92 | S | 58.3 | Low | 77.2 | Confident | 33 Ų | 33 | 47.6 Ų | 47.6 | 23% | 0.231 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | 2.9 | 177.1 | 58.8 | 0 | 0 | 0 | 0 | 114.8 | P48 S90 K94 P95 | P48-S92 WeakPolarHBondContact CB-OG 3.37Å; S90-S92 WeakPolarHBondContact CB-OG 3.5Å; S90-S92 PolarHBondContact O-N 3.41Å; S90-S92 PolarHBondContact OG-N 3.15Å; S90-S92 PolarHBondContact OG-OG 3.45Å; S92-K94 PolarHBondContact O-N 3.09Å; S92-P95 WeakPolarHBondContact O-CD 3.48Å |
| 93 | I | 70.9 | Confident | 77.3 | Confident | 17 Ų | 17 | 47.3 Ų | 47.3 | 9% | 0.087 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69.1 | -17.6 | -179.6 | -151.5 | -171.4 | 0 | 0 | 0 | 113.2 | L51 L85 C88 S90 F96 V97 | L51-I93 HydrophobicContact CD2-CG1 4.43Å; L85-I93 HydrophobicContact CD1-CD1 4.22Å; C88-I93 WeakPolarHBondContact O-CD1 3.42Å; S90-I93 VanDerWaalsContact O-CB 3.28Å; S90-I93 WeakPolarHBondContact O-CB 3.49Å; S90-I93 WeakPolarHBondContact O-CG2 3.21Å; S90-I93 PolarHBondContact O-N 3.11Å; I93-F96 HydrophobicContact CG1-CD1 4.34Å; I93-F96 WeakPolarHBondContact O-CB 3.36Å; I93-F96 PolarHBondContact O-N 2.91Å; I93-F96 VanDerWaalsContact O-N 3.13Å; I93-V97 HydrophobicContact CD1-CG2 4.06Å; I93-V97 HydrophobicContact CG1-CG2 3.96Å; I93-V97 HydrophobicContact CG2-CG2 4.44Å; I93-V97 WeakPolarHBondContact O-CG2 3.28Å; I93-V97 PolarHBondContact O-N 3.43Å |
| 94 | K | 71.8 | Confident | 77.5 | Confident | 114 Ų | 114 | 43.2 Ų | 43.2 | 50% | 0.496 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -58 | -50.6 | -169.9 | -42.5 | -171.1 | 170.4 | -168.1 | 0 | 113.9 | S92 F96 V97 E98 P134 Y136 | S92-K94 PolarHBondContact O-N 3.09Å; K94-F96 VanDerWaalsContact C-N 3.28Å; K94-F96 PolarHBondContact O-N 3.26Å; K94-V97 PolarHBondContact O-N 3.24Å; K94-E98 PolarHBondContact O-N 3.05Å; K94-P134 HydrophobicContact CB-CG 3.87Å; K94-P134 HydrophobicContact CD-CB 4.4Å; K94-P134 HydrophobicContact CD-CG 3.33Å; K94-P134 HydrophobicContact CG-CG 3.38Å; K94-Y136 VanDerWaalsContact C-OH 3.31Å; K94-Y136 VanDerWaalsContact CA-OH 3.32Å; K94-Y136 WeakPolarHBondContact CA-OH 3.35Å; K94-Y136 PolarHBondContact O-OH 3.3Å |
| 95 | P | 73.1 | Confident | 77.6 | Confident | 53 Ų | 53 | 43.6 Ų | 43.6 | 34% | 0.344 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -69.7 | -29.1 | 179.2 | -20.9 | 37.1 | 0 | 0 | 0 | 112.5 | D52 S92 E98 S99 | D52-P95 HydrophobicContact CB-CB 3.9Å; D52-P95 VanDerWaalsContact CG-CB 3.47Å; D52-P95 WeakPolarHBondContact OD1-CB 3.5Å; S92-P95 WeakPolarHBondContact O-CD 3.48Å; P95-E98 WeakPolarHBondContact O-CB 3.35Å; P95-E98 PolarHBondContact O-N 2.77Å; P95-S99 PolarHBondContact O-N 3.35Å; P95-S99 PolarHBondContact O-OG 3.48Å |
| 96 | F | 80.4 | Confident | 77.9 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.7 | -44.3 | 175.9 | 177.8 | -99.8 | 0 | 0 | 0 | 112.2 | L51 L81 L84 L85 I93 K94 E98 S99 F100 | L51-F96 HydrophobicContact CD1-CD1 4.5Å; L51-F96 HydrophobicContact CD1-CD2 3.82Å; L51-F96 HydrophobicContact CD1-CE2 4Å; L51-F96 HydrophobicContact CD1-CG 4.09Å; L51-F96 HydrophobicContact CD1-CZ 4.42Å; L51-F96 HydrophobicContact CD2-CB 3.92Å; L51-F96 HydrophobicContact CD2-CD1 4.23Å; L51-F96 HydrophobicContact CD2-CD2 4.48Å; L51-F96 HydrophobicContact CD2-CG 3.95Å; L51-F96 HydrophobicContact CG-CB 3.79Å; L51-F96 HydrophobicContact CG-CD1 4.32Å; L51-F96 HydrophobicContact CG-CD2 3.71Å; L51-F96 HydrophobicContact CG-CE2 4.39Å; L51-F96 HydrophobicContact CG-CG 3.67Å; L51-F96 WeakPolarHBondContact O-CD2 3.35Å; L81-F96 HydrophobicContact CD2-CE2 4.08Å; L81-F96 HydrophobicContact CD2-CZ 4.02Å; L84-F96 HydrophobicContact CB-CE1 4.35Å; L84-F96 HydrophobicContact CB-CE2 4.41Å; L84-F96 HydrophobicContact CB-CZ 3.7Å; L84-F96 HydrophobicContact CD1-CE2 4.36Å; L84-F96 HydrophobicContact CD1-CZ 4.36Å; L85-F96 HydrophobicContact CB-CE1 4.12Å; L85-F96 HydrophobicContact CD1-CD1 4.48Å; L85-F96 HydrophobicContact CD1-CE1 4.2Å; I93-F96 HydrophobicContact CG1-CD1 4.34Å; I93-F96 WeakPolarHBondContact O-CB 3.36Å; I93-F96 PolarHBondContact O-N 2.91Å; I93-F96 VanDerWaalsContact O-N 3.13Å; K94-F96 VanDerWaalsContact C-N 3.28Å; K94-F96 PolarHBondContact O-N 3.26Å; F96-E98 PolarHBondContact O-N 2.97Å; F96-S99 PolarHBondContact O-N 3.48Å; F96-S99 VanDerWaalsContact O-N 3.14Å; F96-F100 WeakPolarHBondContact O-CB 2.75Å; F96-F100 PolarHBondContact O-N 3.34Å |
| 97 | V | 81.5 | Confident | 78.3 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.7 | -35.8 | 174 | 174.8 | 0 | 0 | 0 | 0 | 110.8 | L85 I93 K94 F100 L101 F126 T133 Y136 | L85-V97 HydrophobicContact CD1-CG2 4.09Å; I93-V97 HydrophobicContact CD1-CG2 4.06Å; I93-V97 HydrophobicContact CG1-CG2 3.96Å; I93-V97 HydrophobicContact CG2-CG2 4.44Å; I93-V97 WeakPolarHBondContact O-CG2 3.28Å; I93-V97 PolarHBondContact O-N 3.43Å; K94-V97 PolarHBondContact O-N 3.24Å; V97-F100 WeakPolarHBondContact O-CB 3.29Å; V97-F100 PolarHBondContact O-N 2.97Å; V97-L101 HydrophobicContact CG1-CD1 3.95Å; V97-L101 HydrophobicContact CG1-CG 4.1Å; V97-L101 WeakPolarHBondContact O-CB 3.36Å; V97-L101 WeakPolarHBondContact O-CG 3.39Å; V97-L101 PolarHBondContact O-N 3.16Å; V97-F126 HydrophobicContact CB-CE2 4.44Å; V97-F126 HydrophobicContact CG1-CD2 4.34Å; V97-F126 HydrophobicContact CG1-CE2 3.4Å; V97-F126 VanDerWaalsContact CG1-CE2 3.4Å; V97-F126 HydrophobicContact CG1-CZ 3.65Å; V97-F126 HydrophobicContact CG2-CE2 4.12Å; V97-T133 HydrophobicContact CG1-CG2 4.21Å; V97-T133 HydrophobicContact CG2-CG2 4.14Å; V97-Y136 HydrophobicContact CB-CE2 3.92Å; V97-Y136 WeakPolarHBondContact CB-OH 3.4Å; V97-Y136 HydrophobicContact CG1-CD2 3.96Å; V97-Y136 HydrophobicContact CG1-CE2 3.28Å |
| 98 | E | 80.1 | Confident | 78.7 | Confident | 105 Ų | 105 | 40.4 Ų | 40.4 | 49% | 0.491 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62.9 | -45.2 | 173.4 | -166.9 | 179.7 | 175.5 | 0 | 0 | 111.5 | K94 P95 F96 F100 H102 Y136 R139 | K94-E98 PolarHBondContact O-N 3.05Å; P95-E98 WeakPolarHBondContact O-CB 3.35Å; P95-E98 PolarHBondContact O-N 2.77Å; F96-E98 PolarHBondContact O-N 2.97Å; E98-F100 VanDerWaalsContact C-N 3.32Å; E98-F100 PolarHBondContact O-N 3.47Å; E98-H102 PolarHBondContact O-N 2.71Å; E98-Y136 HydrophobicContact CB-CE1 3.95Å; E98-Y136 HydrophobicContact CG-CE1 4.44Å; E98-R139 VanDerWaalsContact CG-NH1 3.35Å; E98-R139 PolarHBondContact O-NH2 3.26Å; E98-R139 IonicContact OE1-NH1 3.49Å |
| 99 | S | 82.4 | Confident | 79.5 | Confident | 20 Ų | 20 | 44.8 Ų | 44.8 | 14% | 0.14 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.5 | -43.1 | 174 | -66.3 | 0 | 0 | 0 | 0 | 111.4 | P95 F96 H102 M103 | P95-S99 PolarHBondContact O-N 3.35Å; P95-S99 PolarHBondContact O-OG 3.48Å; F96-S99 PolarHBondContact O-N 3.48Å; F96-S99 VanDerWaalsContact O-N 3.14Å; S99-H102 WeakPolarHBondContact O-CB 3.27Å; S99-H102 PolarHBondContact O-N 3.24Å; S99-M103 WeakPolarHBondContact O-CE 3.49Å; S99-M103 PolarHBondContact O-N 3.48Å |
| 100 | F | 86.8 | Confident | 80.3 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -56.2 | -56.2 | 177.2 | 176.7 | -96.3 | 0 | 0 | 0 | 112.6 | M78 L81 L85 F96 V97 E98 H102 M103 V104 S122 F126 | M78-F100 HydrophobicContact CE-CE2 4.28Å; L81-F100 HydrophobicContact CB-CD2 4.16Å; L81-F100 HydrophobicContact CB-CE2 4.37Å; L85-F100 HydrophobicContact CD2-CD1 4.31Å; L85-F100 HydrophobicContact CD2-CD2 4.36Å; L85-F100 HydrophobicContact CD2-CE1 3.95Å; L85-F100 HydrophobicContact CD2-CE2 3.98Å; L85-F100 HydrophobicContact CD2-CZ 3.75Å; F96-F100 WeakPolarHBondContact O-CB 2.75Å; F96-F100 PolarHBondContact O-N 3.34Å; V97-F100 WeakPolarHBondContact O-CB 3.29Å; V97-F100 PolarHBondContact O-N 2.97Å; E98-F100 VanDerWaalsContact C-N 3.32Å; E98-F100 PolarHBondContact O-N 3.47Å; F100-H102 PolarHBondContact O-N 3.31Å; F100-H102 VanDerWaalsContact O-N 3.12Å; F100-M103 VanDerWaalsContact CA-CE 3.47Å; F100-M103 HydrophobicContact CB-CE 4.48Å; F100-M103 PolarHBondContact O-N 2.63Å; F100-M103 VanDerWaalsContact O-N 3.14Å; F100-V104 HydrophobicContact CD1-CG2 4.13Å; F100-V104 HydrophobicContact CE1-CG2 3.69Å; F100-V104 HydrophobicContact CE2-CG2 4.29Å; F100-V104 HydrophobicContact CZ-CG2 3.79Å; F100-V104 WeakPolarHBondContact O-CG2 3.39Å; F100-V104 PolarHBondContact O-N 3.25Å; F100-S122 WeakPolarHBondContact CZ-O 3.33Å; F100-F126 HydrophobicContact CD1-CB 4.47Å; F100-F126 HydrophobicContact CD1-CD2 4.46Å; F100-F126 HydrophobicContact CD1-CG 4.44Å; F100-F126 HydrophobicContact CE1-CB 3.59Å; F100-F126 HydrophobicContact CE1-CD2 4.35Å; F100-F126 AromaticContact CE1-CG 3.97Å; F100-F126 HydrophobicContact CE1-CG 3.97Å; F100-F126 HydrophobicContact CZ-CB 4.12Å |
| 101 | L | 86.9 | Confident | 81.3 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.4 | -24.8 | 179.5 | -69.1 | 177.2 | 0 | 0 | 0 | 112 | V97 A105 F123 F126 Y136 R139 F143 | V97-L101 HydrophobicContact CG1-CD1 3.95Å; V97-L101 HydrophobicContact CG1-CG 4.1Å; V97-L101 WeakPolarHBondContact O-CB 3.36Å; V97-L101 WeakPolarHBondContact O-CG 3.39Å; V97-L101 PolarHBondContact O-N 3.16Å; L101-A105 WeakPolarHBondContact O-CB 3.35Å; L101-A105 PolarHBondContact O-N 3.43Å; L101-F123 HydrophobicContact CD2-CD2 3.99Å; L101-F123 HydrophobicContact CD2-CE2 3.92Å; L101-F126 HydrophobicContact CD2-CD1 4.07Å; L101-F126 HydrophobicContact CD2-CE1 3.96Å; L101-F126 HydrophobicContact CD2-CZ 4.48Å; L101-Y136 HydrophobicContact CD1-CD1 4.41Å; L101-Y136 HydrophobicContact CD1-CD2 3.64Å; L101-Y136 HydrophobicContact CD1-CE2 4.34Å; L101-Y136 HydrophobicContact CD1-CG 3.72Å; L101-R139 VanDerWaalsContact C-NH2 3.26Å; L101-F143 HydrophobicContact CB-CE2 4.18Å; L101-F143 HydrophobicContact CB-CZ 4.06Å; L101-F143 HydrophobicContact CD2-CE2 3.92Å; L101-F143 HydrophobicContact CD2-CZ 3.92Å; L101-F143 HydrophobicContact CG-CE2 4.44Å; L101-F143 WeakPolarHBondContact O-CZ 3.44Å |
| 102 | H | 86.1 | Confident | 82.7 | Confident | 99 Ų | 99 | 45.6 Ų | 45.6 | 46% | 0.458 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -73.4 | -41.4 | -179.9 | -172.2 | 66.7 | 0 | 0 | 0 | 110 | E98 S99 F100 A105 K106 R139 | E98-H102 PolarHBondContact O-N 2.71Å; S99-H102 WeakPolarHBondContact O-CB 3.27Å; S99-H102 PolarHBondContact O-N 3.24Å; F100-H102 PolarHBondContact O-N 3.31Å; F100-H102 VanDerWaalsContact O-N 3.12Å; H102-A105 PolarHBondContact O-N 3.07Å; H102-K106 PolarHBondContact O-N 2.98Å; H102-R139 VanDerWaalsContact CB-NH2 3.26Å |
| 103 | M | 87.4 | Confident | 84.1 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67 | -44.4 | 174.8 | -66.5 | 177.3 | -69.2 | 0 | 0 | 111.7 | A59 L62 M78 L81 S99 F100 A105 K106 L107 | A59-M103 WeakPolarHBondContact CA-SD 3.32Å; A59-M103 HydrophobicContact CB-CE 4.3Å; A59-M103 HydrophobicContact CB-CG 3.53Å; A59-M103 HydrophobicContact CB-SD 3.58Å; A59-M103 VanDerWaalsContact CB-SD 3.58Å; L62-M103 HydrophobicContact CB-SD 4.2Å; L62-M103 HydrophobicContact CD1-CB 4.23Å; L62-M103 HydrophobicContact CD1-CG 4.4Å; L62-M103 HydrophobicContact CD1-SD 4.05Å; L62-M103 HydrophobicContact CD2-CB 4.15Å; L62-M103 HydrophobicContact CD2-CG 4.24Å; M78-M103 HydrophobicContact SD-CB 4.39Å; L81-M103 HydrophobicContact CD1-CE 3.12Å; L81-M103 HydrophobicContact CD1-SD 3.25Å; L81-M103 WeakPolarHBondContact CD1-SD 3.39Å; L81-M103 HydrophobicContact CD2-CE 3.52Å; L81-M103 HydrophobicContact CD2-SD 4.39Å; L81-M103 HydrophobicContact CG-CE 3.87Å; L81-M103 HydrophobicContact CG-SD 4.4Å; S99-M103 WeakPolarHBondContact O-CE 3.49Å; S99-M103 PolarHBondContact O-N 3.48Å; F100-M103 VanDerWaalsContact CA-CE 3.47Å; F100-M103 HydrophobicContact CB-CE 4.48Å; F100-M103 PolarHBondContact O-N 2.63Å; F100-M103 VanDerWaalsContact O-N 3.14Å; M103-A105 VanDerWaalsContact C-N 3.28Å; M103-A105 PolarHBondContact O-N 2.62Å; M103-K106 WeakPolarHBondContact O-CA 3.5Å; M103-K106 WeakPolarHBondContact O-CB 3.27Å; M103-K106 PolarHBondContact O-N 3.4Å; M103-K106 VanDerWaalsContact O-N 3.07Å; M103-L107 WeakPolarHBondContact O-CG 3.37Å; M103-L107 PolarHBondContact O-N 3.25Å |
| 104 | V | 90.4 | Very high | 85 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -55.2 | -48.5 | 173.9 | 175.1 | 0 | 0 | 0 | 0 | 109.8 | M78 F100 K106 L107 L108 F123 F143 | M78-V104 HydrophobicContact CE-CG2 4.01Å; F100-V104 HydrophobicContact CD1-CG2 4.13Å; F100-V104 HydrophobicContact CE1-CG2 3.69Å; F100-V104 HydrophobicContact CE2-CG2 4.29Å; F100-V104 HydrophobicContact CZ-CG2 3.79Å; F100-V104 WeakPolarHBondContact O-CG2 3.39Å; F100-V104 PolarHBondContact O-N 3.25Å; V104-K106 VanDerWaalsContact C-N 3.31Å; V104-K106 PolarHBondContact O-N 2.98Å; V104-L107 PolarHBondContact O-N 3.03Å; V104-L107 VanDerWaalsContact O-N 3.15Å; V104-L108 HydrophobicContact CG1-CD1 3.96Å; V104-L108 HydrophobicContact CG1-CG 4.35Å; V104-L108 VanDerWaalsContact O-CG 3.31Å; V104-L108 WeakPolarHBondContact O-CG 3.5Å; V104-L108 PolarHBondContact O-N 3.4Å; V104-F123 HydrophobicContact CG1-CB 3.93Å; V104-F123 HydrophobicContact CG1-CD2 4.23Å; V104-F123 HydrophobicContact CG1-CG 4.49Å; V104-F143 HydrophobicContact CB-CE1 4.32Å; V104-F143 HydrophobicContact CB-CZ 4.49Å; V104-F143 HydrophobicContact CG1-CE1 3.75Å; V104-F143 HydrophobicContact CG1-CZ 4.32Å |
| 105 | A | 88.8 | Confident | 85.8 | Confident | 8 Ų | 8 | 43.7 Ų | 43.7 | 7% | 0.066 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -56.9 | -44.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L101 H102 M103 L107 L108 E109 F142 F143 | L101-A105 WeakPolarHBondContact O-CB 3.35Å; L101-A105 PolarHBondContact O-N 3.43Å; H102-A105 PolarHBondContact O-N 3.07Å; M103-A105 VanDerWaalsContact C-N 3.28Å; M103-A105 PolarHBondContact O-N 2.62Å; A105-L107 VanDerWaalsContact C-N 3.31Å; A105-L107 PolarHBondContact O-N 3.35Å; A105-L108 PolarHBondContact O-N 2.95Å; A105-E109 WeakPolarHBondContact O-CG 3.43Å; A105-E109 PolarHBondContact O-N 3.04Å; A105-F142 HydrophobicContact CB-CD1 3.92Å; A105-F142 HydrophobicContact CB-CE1 3.44Å; A105-F142 VanDerWaalsContact CB-CE1 3.44Å; A105-F142 HydrophobicContact CB-CZ 4.06Å; A105-F143 HydrophobicContact CB-CE1 4.22Å; A105-F143 HydrophobicContact CB-CZ 4.26Å |
| 106 | K | 88.6 | Confident | 86.7 | Confident | 70 Ų | 70 | 42.2 Ų | 42.2 | 30% | 0.304 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -60.3 | -37.6 | 177.1 | -164.7 | 72.6 | -145.3 | 151.5 | 0 | 113.4 | H102 M103 V104 E109 | H102-K106 PolarHBondContact O-N 2.98Å; M103-K106 WeakPolarHBondContact O-CA 3.5Å; M103-K106 WeakPolarHBondContact O-CB 3.27Å; M103-K106 PolarHBondContact O-N 3.4Å; M103-K106 VanDerWaalsContact O-N 3.07Å; V104-K106 VanDerWaalsContact C-N 3.31Å; V104-K106 PolarHBondContact O-N 2.98Å; K106-E109 IonicContact NZ-OE2 3.53Å; K106-E109 PolarHBondContact NZ-OE2 3.34Å |
| 107 | L | 90.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -69.8 | -41.5 | 176.4 | -65.7 | -178.9 | 0 | 0 | 0 | 111.8 | L62 V66 V74 M78 M103 V104 A105 E109 S110 L115 L118 | L62-L107 HydrophobicContact CD2-CD2 4.14Å; L62-L107 HydrophobicContact CD2-CG 4.47Å; V66-L107 HydrophobicContact CG2-CD2 3.86Å; V74-L107 HydrophobicContact CG1-CD2 3.53Å; M78-L107 HydrophobicContact CE-CD1 3.97Å; M78-L107 HydrophobicContact CG-CD1 3.46Å; M78-L107 VanDerWaalsContact CG-CD1 3.46Å; M78-L107 HydrophobicContact SD-CD1 3.52Å; M78-L107 VanDerWaalsContact SD-CD1 3.52Å; M103-L107 WeakPolarHBondContact O-CG 3.37Å; M103-L107 PolarHBondContact O-N 3.25Å; V104-L107 PolarHBondContact O-N 3.03Å; V104-L107 VanDerWaalsContact O-N 3.15Å; A105-L107 VanDerWaalsContact C-N 3.31Å; A105-L107 PolarHBondContact O-N 3.35Å; L107-E109 VanDerWaalsContact C-N 3.33Å; L107-E109 PolarHBondContact O-N 3.5Å; L107-S110 WeakPolarHBondContact O-CB 3.43Å; L107-S110 PolarHBondContact O-N 3.15Å; L107-S110 VanDerWaalsContact O-N 3.11Å; L107-L115 HydrophobicContact CD2-CD2 4.31Å; L107-L118 HydrophobicContact CD1-CD2 4.35Å |
| 108 | L | 90.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.5 | -30.4 | 178.6 | -62.3 | 173.9 | 0 | 0 | 0 | 112.7 | V104 A105 S110 Q116 F143 Q146 F147 M150 | V104-L108 HydrophobicContact CG1-CD1 3.96Å; V104-L108 HydrophobicContact CG1-CG 4.35Å; V104-L108 VanDerWaalsContact O-CG 3.31Å; V104-L108 WeakPolarHBondContact O-CG 3.5Å; V104-L108 PolarHBondContact O-N 3.4Å; A105-L108 PolarHBondContact O-N 2.95Å; L108-S110 PolarHBondContact O-N 2.8Å; L108-Q116 WeakPolarHBondContact CD2-O 3.41Å; L108-F143 HydrophobicContact CD1-CD1 3.71Å; L108-F143 HydrophobicContact CD1-CE1 3.83Å; L108-Q146 HydrophobicContact CB-CG 3.75Å; L108-Q146 PolarHBondContact O-NE2 2.7Å; L108-F147 HydrophobicContact CD1-CD1 4.25Å; L108-F147 HydrophobicContact CD1-CE1 3.46Å; L108-F147 VanDerWaalsContact CD1-CE1 3.46Å; L108-F147 HydrophobicContact CD1-CE2 4.32Å; L108-F147 HydrophobicContact CD1-CZ 3.51Å; L108-F147 HydrophobicContact CD2-CD1 4.36Å; L108-F147 HydrophobicContact CD2-CE1 3.64Å; L108-F147 HydrophobicContact CD2-CZ 4.4Å; L108-F147 HydrophobicContact CG-CE1 4.21Å; L108-M150 HydrophobicContact CD2-CE 4.46Å; L108-M150 HydrophobicContact CD2-SD 3.95Å |
| 109 | E | 89.3 | Confident | 88.2 | Confident | 99 Ų | 99 | 40.3 Ų | 40.3 | 46% | 0.463 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -16.5 | 171.6 | -73.4 | 176.9 | 174.9 | 0 | 0 | 113.4 | A105 K106 L107 F142 | A105-E109 WeakPolarHBondContact O-CG 3.43Å; A105-E109 PolarHBondContact O-N 3.04Å; K106-E109 IonicContact NZ-OE2 3.53Å; K106-E109 PolarHBondContact NZ-OE2 3.34Å; L107-E109 VanDerWaalsContact C-N 3.33Å; L107-E109 PolarHBondContact O-N 3.5Å; E109-F142 HydrophobicContact CG-CE2 3.99Å; E109-F142 HydrophobicContact CG-CZ 3.74Å |
| 110 | S | 86.1 | Confident | 88.6 | Confident | 23 Ų | 23 | 39.3 Ų | 39.3 | 16% | 0.161 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -67.5 | 151.3 | 179.2 | -169.6 | 0 | 0 | 0 | 0 | 111.4 | L107 L108 E112 L115 Q116 | L107-S110 WeakPolarHBondContact O-CB 3.43Å; L107-S110 PolarHBondContact O-N 3.15Å; L107-S110 VanDerWaalsContact O-N 3.11Å; L108-S110 PolarHBondContact O-N 2.8Å; S110-E112 VanDerWaalsContact C-N 3.31Å; S110-E112 PolarHBondContact OG-N 3.41Å; S110-L115 WeakPolarHBondContact OG-CD1 3.36Å; S110-Q116 PolarHBondContact O-NE2 3.47Å |
| 111 | R | 80.3 | Confident | 88.9 | Confident | 236 Ų | 236 | 42.4 Ų | 42.4 | 89% | 0.891 | 20% | 0.201 | S | C | * | . | S | Bend | trans | -83.8 | -9.1 | 172.8 | -64.3 | -175.5 | -179.4 | -177.7 | -0.8 | 113 | P113 | R111-P113 WeakPolarHBondContact O-CD 3.34Š|
| 112 | E | 87.5 | Confident | 89 | Confident | 80 Ų | 80 | 42.4 Ų | 42.4 | 37% | 0.374 | 20% | 0.201 | S | C | . | . | trans | -80.8 | 120.8 | -179.1 | -64.2 | -63.3 | 160.9 | 0 | 0 | 111.1 | Y71 S110 D114 L115 Q116 | Y71-E112 HydrophobicContact CE1-CG 4.43Å; Y71-E112 HydrophobicContact CE2-CG 4.3Å; Y71-E112 WeakPolarHBondContact OH-CG 3.5Å; Y71-E112 PolarHBondContact OH-OE1 3.14Å; S110-E112 VanDerWaalsContact C-N 3.31Å; S110-E112 PolarHBondContact OG-N 3.41Å; E112-D114 VanDerWaalsContact C-N 3.31Å; E112-D114 PolarHBondContact O-N 3.4Å; E112-L115 HydrophobicContact CB-CB 4.13Å; E112-L115 HydrophobicContact CB-CD1 4Å; E112-L115 HydrophobicContact CB-CG 3.92Å; E112-L115 HydrophobicContact CG-CD1 4.26Å; E112-L115 PolarHBondContact O-N 3.36Å; E112-Q116 PolarHBondContact O-N 3.46Å; E112-Q116 VanDerWaalsContact O-N 3.15Å | ||
| 113 | P | 87.8 | Confident | 89.2 | Confident | 18 Ų | 18 | 37.7 Ų | 37.7 | 12% | 0.117 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -56.9 | -41.8 | -179 | -24.6 | 32.8 | 0 | 0 | 0 | 113.2 | R111 L115 Q116 V117 T160 I164 | R111-P113 WeakPolarHBondContact O-CD 3.34Å; P113-L115 VanDerWaalsContact C-N 3.3Å; P113-L115 PolarHBondContact O-N 3.11Å; P113-Q116 WeakPolarHBondContact O-CB 3.38Å; P113-Q116 PolarHBondContact O-N 3.48Å; P113-V117 VanDerWaalsContact O-CG2 3.32Å; P113-V117 WeakPolarHBondContact O-CG2 3.4Å; P113-V117 PolarHBondContact O-N 2.9Å; P113-T160 HydrophobicContact CB-CG2 3.67Å; P113-T160 HydrophobicContact CG-CG2 3.45Å; P113-T160 VanDerWaalsContact CG-CG2 3.45Å; P113-I164 HydrophobicContact CB-CD1 4.03Å; P113-I164 HydrophobicContact CB-CG1 3.98Å; P113-I164 HydrophobicContact CG-CD1 4.08Å |
| 114 | D | 88.4 | Confident | 89.3 | Confident | 101 Ų | 101 | 39.1 Ų | 39.1 | 54% | 0.54 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -67.2 | -32.1 | -177.2 | -61.5 | -30.2 | 0 | 0 | 0 | 112 | E112 L118 R163 | E112-D114 VanDerWaalsContact C-N 3.31Å; E112-D114 PolarHBondContact O-N 3.4Å; D114-L118 VanDerWaalsContact O-CB 3.28Å; D114-L118 WeakPolarHBondContact O-CB 3.4Å; D114-L118 PolarHBondContact O-N 3.31Å; D114-R163 IonicContact OD1-CZ 3.46Å; D114-R163 IonicContact OD1-NH1 3.07Å; D114-R163 PolarHBondContact OD1-NH1 3.29Å; D114-R163 IonicContact OD1-NH2 2.96Å |
| 115 | L | 89.5 | Confident | 89.1 | Confident | 5 Ų | 5 | 43.5 Ų | 43.5 | 3% | 0.026 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -72.2 | -37.6 | 174 | -65.9 | -175.1 | 0 | 0 | 0 | 111.8 | Y71 V74 L107 S110 E112 P113 L118 G119 | Y71-L115 HydrophobicContact CD1-CD1 3.7Å; Y71-L115 HydrophobicContact CD1-CD2 4.03Å; Y71-L115 HydrophobicContact CD1-CG 4.2Å; Y71-L115 HydrophobicContact CE1-CD1 3.59Å; Y71-L115 HydrophobicContact CE1-CG 4.44Å; Y71-L115 HydrophobicContact CG-CD2 4.47Å; V74-L115 HydrophobicContact CG1-CD2 4.02Å; L107-L115 HydrophobicContact CD2-CD2 4.31Å; S110-L115 WeakPolarHBondContact OG-CD1 3.36Å; E112-L115 HydrophobicContact CB-CB 4.13Å; E112-L115 HydrophobicContact CB-CD1 4Å; E112-L115 HydrophobicContact CB-CG 3.92Å; E112-L115 HydrophobicContact CG-CD1 4.26Å; E112-L115 PolarHBondContact O-N 3.36Å; P113-L115 VanDerWaalsContact C-N 3.3Å; P113-L115 PolarHBondContact O-N 3.11Å; L115-L118 PolarHBondContact O-N 3.11Å; L115-G119 PolarHBondContact O-N 2.82Å |
| 116 | Q | 90.8 | Very high | 89 | Confident | 23 Ų | 23 | 43.2 Ų | 43.2 | 11% | 0.107 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.2 | -45.8 | 175 | -67.5 | 179.4 | -9.8 | 0 | 0 | 111.1 | L108 S110 E112 P113 G119 T120 M150 | L108-Q116 WeakPolarHBondContact CD2-O 3.41Å; S110-Q116 PolarHBondContact O-NE2 3.47Å; E112-Q116 PolarHBondContact O-N 3.46Å; E112-Q116 VanDerWaalsContact O-N 3.15Å; P113-Q116 WeakPolarHBondContact O-CB 3.38Å; P113-Q116 PolarHBondContact O-N 3.48Å; Q116-G119 PolarHBondContact O-N 3.25Å; Q116-T120 PolarHBondContact O-N 3.14Å; Q116-T120 PolarHBondContact O-OG1 3.24Å; Q116-M150 HydrophobicContact CB-CE 3.8Å; Q116-M150 HydrophobicContact CB-SD 4.43Å |
| 117 | V | 90.9 | Very high | 88.7 | Confident | 34 Ų | 34 | 40.2 Ų | 40.2 | 21% | 0.206 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.4 | -44.7 | 176.1 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | P113 T120 N121 A167 | P113-V117 VanDerWaalsContact O-CG2 3.32Å; P113-V117 WeakPolarHBondContact O-CG2 3.4Å; P113-V117 PolarHBondContact O-N 2.9Å; V117-T120 PolarHBondContact O-N 2.97Å; V117-N121 WeakPolarHBondContact O-CB 3.35Å; V117-N121 VanDerWaalsContact O-CG 3.23Å; V117-N121 PolarHBondContact O-N 3.46Å; V117-N121 PolarHBondContact O-ND2 3.08Å; V117-A167 HydrophobicContact CG2-CB 3.99Å |
| 118 | L | 90.8 | Very high | 88.3 | Confident | 30 Ų | 30 | 44.3 Ų | 44.3 | 16% | 0.157 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.7 | -47.8 | 176.1 | -179.1 | 67.7 | 0 | 0 | 0 | 111.6 | V74 V75 M78 L107 D114 L115 T120 N121 S122 | V74-L118 HydrophobicContact CG1-CD2 4.41Å; V75-L118 HydrophobicContact CG2-CD2 4.03Å; M78-L118 HydrophobicContact CB-CD1 4.33Å; M78-L118 HydrophobicContact CB-CD2 4.11Å; M78-L118 HydrophobicContact CB-CG 4.25Å; M78-L118 HydrophobicContact CG-CD2 3.92Å; M78-L118 HydrophobicContact CG-CG 4.23Å; L107-L118 HydrophobicContact CD1-CD2 4.35Å; D114-L118 VanDerWaalsContact O-CB 3.28Å; D114-L118 WeakPolarHBondContact O-CB 3.4Å; D114-L118 PolarHBondContact O-N 3.31Å; L115-L118 PolarHBondContact O-N 3.11Å; L118-T120 PolarHBondContact O-N 3.11Å; L118-N121 PolarHBondContact O-N 3.19Å; L118-S122 PolarHBondContact O-N 2.75Å; L118-S122 VanDerWaalsContact O-N 3.08Å; L118-S122 PolarHBondContact O-OG 3.42Å |
| 119 | G | 91.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59 | -46.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L115 Q116 S122 F123 | L115-G119 PolarHBondContact O-N 2.82Å; Q116-G119 PolarHBondContact O-N 3.25Å; G119-S122 PolarHBondContact O-N 3.46Å; G119-F123 WeakPolarHBondContact O-CB 3.26Å; G119-F123 PolarHBondContact O-N 2.92Å |
| 120 | T | 92.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.6 | -50 | 174 | -68.7 | 0 | 0 | 0 | 0 | 111.4 | Q116 V117 L118 S122 F123 V124 F147 A167 K170 | Q116-T120 PolarHBondContact O-N 3.14Å; Q116-T120 PolarHBondContact O-OG1 3.24Å; V117-T120 PolarHBondContact O-N 2.97Å; L118-T120 PolarHBondContact O-N 3.11Å; T120-S122 VanDerWaalsContact C-N 3.31Å; T120-S122 PolarHBondContact O-N 3.39Å; T120-F123 CarbonylContact O-C 3.56Å; T120-F123 WeakPolarHBondContact O-CA 3.38Å; T120-F123 WeakPolarHBondContact O-CB 3.3Å; T120-F123 PolarHBondContact O-N 3.38Å; T120-V124 HydrophobicContact CG2-CG2 4.11Å; T120-V124 WeakPolarHBondContact O-CG2 3.35Å; T120-V124 PolarHBondContact O-N 2.98Å; T120-F147 WeakPolarHBondContact OG1-CE1 3.46Å; T120-A167 HydrophobicContact CG2-CB 4.11Å; T120-A167 WeakPolarHBondContact CG2-O 3.41Å; T120-A167 PolarHBondContact OG1-O 2.98Å; T120-K170 HydrophobicContact CG2-CB 3.92Å |
| 121 | N | 91.9 | Very high | 85.4 | Confident | 65 Ų | 65 | 53 Ų | 53 | 35% | 0.348 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.6 | -42.7 | -175.6 | -74 | -21.7 | 0 | 0 | 0 | 111.6 | V117 L118 V124 K125 | V117-N121 WeakPolarHBondContact O-CB 3.35Å; V117-N121 VanDerWaalsContact O-CG 3.23Å; V117-N121 PolarHBondContact O-N 3.46Å; V117-N121 PolarHBondContact O-ND2 3.08Å; L118-N121 PolarHBondContact O-N 3.19Å; N121-V124 PolarHBondContact O-N 3.04Å; N121-K125 WeakPolarHBondContact O-CG 2.99Å; N121-K125 PolarHBondContact O-N 3.07Å |
| 122 | S | 90.1 | Very high | 84.2 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.5 | -41.1 | 173.1 | -67.7 | 0 | 0 | 0 | 0 | 112.1 | M78 D82 F100 L118 G119 T120 V124 K125 F126 | M78-S122 WeakPolarHBondContact CE-OG 3.3Å; D82-S122 VanDerWaalsContact CG-OG 3.3Å; D82-S122 WeakPolarHBondContact OD1-CB 3.14Å; D82-S122 PolarHBondContact OD1-OG 3.03Å; D82-S122 PolarHBondContact OD2-OG 2.95Å; F100-S122 WeakPolarHBondContact CZ-O 3.33Å; L118-S122 PolarHBondContact O-N 2.75Å; L118-S122 VanDerWaalsContact O-N 3.08Å; L118-S122 PolarHBondContact O-OG 3.42Å; G119-S122 PolarHBondContact O-N 3.46Å; T120-S122 VanDerWaalsContact C-N 3.31Å; T120-S122 PolarHBondContact O-N 3.39Å; S122-V124 PolarHBondContact O-N 3.23Å; S122-K125 PolarHBondContact O-N 3.38Å; S122-F126 PolarHBondContact O-N 3.45Å |
| 123 | F | 90 | Very high | 82.8 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.6 | -39.8 | 174.8 | -174 | -95.6 | 0 | 0 | 0 | 112.9 | L101 V104 G119 T120 F126 A127 Y140 F143 F147 V175 | L101-F123 HydrophobicContact CD2-CD2 3.99Å; L101-F123 HydrophobicContact CD2-CE2 3.92Å; V104-F123 HydrophobicContact CG1-CB 3.93Å; V104-F123 HydrophobicContact CG1-CD2 4.23Å; V104-F123 HydrophobicContact CG1-CG 4.49Å; G119-F123 WeakPolarHBondContact O-CB 3.26Å; G119-F123 PolarHBondContact O-N 2.92Å; T120-F123 CarbonylContact O-C 3.56Å; T120-F123 WeakPolarHBondContact O-CA 3.38Å; T120-F123 WeakPolarHBondContact O-CB 3.3Å; T120-F123 PolarHBondContact O-N 3.38Å; F123-F126 HydrophobicContact CD2-CD1 4.39Å; F123-F126 HydrophobicContact CE2-CD1 4.27Å; F123-F126 WeakPolarHBondContact O-CB 3.44Å; F123-F126 PolarHBondContact O-N 3.27Å; F123-A127 WeakPolarHBondContact O-CB 3.46Å; F123-A127 PolarHBondContact O-N 3.42Å; F123-Y140 HydrophobicContact CE2-CE1 4.06Å; F123-Y140 HydrophobicContact CZ-CD1 4.33Å; F123-Y140 AromaticContact CZ-CE1 3.87Å; F123-Y140 HydrophobicContact CZ-CE1 3.87Å; F123-F143 HydrophobicContact CD2-CD1 4.41Å; F123-F143 HydrophobicContact CD2-CE1 4.28Å; F123-F143 HydrophobicContact CD2-CZ 4.42Å; F123-F143 HydrophobicContact CE2-CD1 4.31Å; F123-F143 HydrophobicContact CE2-CD2 4.1Å; F123-F143 HydrophobicContact CE2-CE1 4.43Å; F123-F143 HydrophobicContact CE2-CE2 4.2Å; F123-F143 HydrophobicContact CE2-CG 4.16Å; F123-F143 HydrophobicContact CE2-CZ 4.36Å; F123-F147 HydrophobicContact CB-CZ 4.11Å; F123-F147 AromaticContact CD1-CE2 3.67Å; F123-F147 HydrophobicContact CD1-CE2 3.67Å; F123-F147 AromaticContact CD1-CZ 3.75Å; F123-F147 HydrophobicContact CD1-CZ 3.75Å; F123-F147 HydrophobicContact CD2-CZ 4.5Å; F123-F147 AromaticContact CE1-CE2 3.76Å; F123-F147 HydrophobicContact CE1-CE2 3.76Å; F123-F147 HydrophobicContact CE1-CZ 4.32Å; F123-F147 HydrophobicContact CG-CE2 4.07Å; F123-F147 AromaticContact CG-CZ 3.86Å; F123-F147 HydrophobicContact CG-CZ 3.86Å; F123-F147 HydrophobicContact CZ-CE2 4.23Å; F123-V175 HydrophobicContact CE1-CG2 3.65Å; F123-V175 HydrophobicContact CZ-CG2 3.66Å |
| 124 | V | 88.9 | Confident | 81.4 | Confident | 29 Ų | 29 | 47.4 Ų | 47.4 | 18% | 0.176 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.1 | -40.5 | 177.2 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | T120 N121 S122 F126 A127 N128 K170 | T120-V124 HydrophobicContact CG2-CG2 4.11Å; T120-V124 WeakPolarHBondContact O-CG2 3.35Å; T120-V124 PolarHBondContact O-N 2.98Å; N121-V124 PolarHBondContact O-N 3.04Å; S122-V124 PolarHBondContact O-N 3.23Å; V124-F126 VanDerWaalsContact C-N 3.33Å; V124-F126 PolarHBondContact O-N 2.79Å; V124-A127 WeakPolarHBondContact O-CB 3.47Å; V124-A127 PolarHBondContact O-N 3.02Å; V124-A127 VanDerWaalsContact O-N 3.13Å; V124-N128 PolarHBondContact O-N 2.92Å; V124-N128 VanDerWaalsContact O-N 3.09Å; V124-N128 PolarHBondContact O-ND2 3.06Å; V124-K170 HydrophobicContact CG2-CB 4.01Å; V124-K170 WeakPolarHBondContact CG2-O 3.39Å |
| 125 | K | 87 | Confident | 79.9 | Confident | 93 Ų | 93 | 44.5 Ų | 44.5 | 40% | 0.404 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -58.8 | -46.6 | 172.7 | -70.2 | 173.4 | -169.6 | 172.2 | 0 | 110.9 | D82 N121 S122 A127 N128 | D82-K125 HydrophobicContact CB-CD 4.14Å; D82-K125 WeakPolarHBondContact OD2-CD 3.41Å; D82-K125 IonicContact OD2-NZ 2.64Å; D82-K125 PolarHBondContact OD2-NZ 3.01Å; N121-K125 WeakPolarHBondContact O-CG 2.99Å; N121-K125 PolarHBondContact O-N 3.07Å; S122-K125 PolarHBondContact O-N 3.38Å; K125-A127 VanDerWaalsContact C-N 3.3Å; K125-A127 PolarHBondContact O-N 2.95Å; K125-N128 PolarHBondContact O-N 3.22Å |
| 126 | F | 85.3 | Confident | 78.6 | Confident | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.009 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.1 | -43.2 | 172.8 | 168.2 | -104.7 | 0 | 0 | 0 | 112.4 | L85 V97 F100 L101 S122 F123 V124 N128 I129 T133 K178 | L85-F126 HydrophobicContact CD1-CD2 4.12Å; L85-F126 HydrophobicContact CD2-CB 3.69Å; L85-F126 HydrophobicContact CD2-CD2 3.89Å; L85-F126 HydrophobicContact CD2-CG 4.29Å; V97-F126 HydrophobicContact CB-CE2 4.44Å; V97-F126 HydrophobicContact CG1-CD2 4.34Å; V97-F126 HydrophobicContact CG1-CE2 3.4Å; V97-F126 VanDerWaalsContact CG1-CE2 3.4Å; V97-F126 HydrophobicContact CG1-CZ 3.65Å; V97-F126 HydrophobicContact CG2-CE2 4.12Å; F100-F126 HydrophobicContact CD1-CB 4.47Å; F100-F126 HydrophobicContact CD1-CD2 4.46Å; F100-F126 HydrophobicContact CD1-CG 4.44Å; F100-F126 HydrophobicContact CE1-CB 3.59Å; F100-F126 HydrophobicContact CE1-CD2 4.35Å; F100-F126 AromaticContact CE1-CG 3.97Å; F100-F126 HydrophobicContact CE1-CG 3.97Å; F100-F126 HydrophobicContact CZ-CB 4.12Å; L101-F126 HydrophobicContact CD2-CD1 4.07Å; L101-F126 HydrophobicContact CD2-CE1 3.96Å; L101-F126 HydrophobicContact CD2-CZ 4.48Å; S122-F126 PolarHBondContact O-N 3.45Å; F123-F126 HydrophobicContact CD2-CD1 4.39Å; F123-F126 HydrophobicContact CE2-CD1 4.27Å; F123-F126 WeakPolarHBondContact O-CB 3.44Å; F123-F126 PolarHBondContact O-N 3.27Å; V124-F126 VanDerWaalsContact C-N 3.33Å; V124-F126 PolarHBondContact O-N 2.79Å; F126-N128 VanDerWaalsContact C-N 3.26Å; F126-N128 PolarHBondContact O-N 3.39Å; F126-I129 PolarHBondContact O-N 3.24Å; F126-T133 HydrophobicContact CE2-CG2 3.89Å; F126-T133 HydrophobicContact CZ-CG2 4Å; F126-K178 WeakPolarHBondContact O-CE 3.21Å; F126-K178 PolarHBondContact O-NZ 2.78Å |
| 127 | A | 82.1 | Confident | 77.1 | Confident | 7 Ų | 7 | 48.9 Ų | 48.9 | 6% | 0.058 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65 | -27.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | F123 V124 K125 G174 K178 | F123-A127 WeakPolarHBondContact O-CB 3.46Å; F123-A127 PolarHBondContact O-N 3.42Å; V124-A127 WeakPolarHBondContact O-CB 3.47Å; V124-A127 PolarHBondContact O-N 3.02Å; V124-A127 VanDerWaalsContact O-N 3.13Å; K125-A127 VanDerWaalsContact C-N 3.3Å; K125-A127 PolarHBondContact O-N 2.95Å; A127-G174 VanDerWaalsContact CB-CA 3.44Å; A127-G174 WeakPolarHBondContact CB-O 3.41Å; A127-K178 HydrophobicContact CB-CG 3.92Å; A127-K178 VanDerWaalsContact O-CE 3.29Å; A127-K178 WeakPolarHBondContact O-CE 2.95Å |
| 128 | N | 82.4 | Confident | 75.8 | Confident | 85 Ų | 85 | 57 Ų | 57 | 46% | 0.455 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -2 | -179.5 | -68.2 | -30.7 | 0 | 0 | 0 | 114.4 | V124 K125 F126 R177 | V124-N128 PolarHBondContact O-N 2.92Å; V124-N128 VanDerWaalsContact O-N 3.09Å; V124-N128 PolarHBondContact O-ND2 3.06Å; K125-N128 PolarHBondContact O-N 3.22Å; F126-N128 VanDerWaalsContact C-N 3.26Å; F126-N128 PolarHBondContact O-N 3.39Å; N128-R177 PolarHBondContact OD1-NH1 3Å |
| 129 | I | 78.6 | Confident | 74.8 | Confident | 16 Ų | 16 | 58.2 Ų | 58.2 | 8% | 0.082 | 28% | 0.28 | C | S | . | . | trans | -77 | 122.8 | 175.9 | -60.6 | 170 | 0 | 0 | 0 | 108.6 | L85 M86 F126 E131 K178 | L85-I129 HydrophobicContact CD1-CD1 4.21Å; L85-I129 HydrophobicContact CD2-CD1 3.9Å; L85-I129 HydrophobicContact CG-CD1 3.63Å; M86-I129 HydrophobicContact SD-CD1 3.82Å; M86-I129 HydrophobicContact SD-CG1 3.78Å; F126-I129 PolarHBondContact O-N 3.24Å; I129-E131 HydrophobicContact CG2-CB 4.44Å; I129-K178 PolarHBondContact O-NZ 3.09Å | ||
| 130 | E | 62.7 | Low | 74.1 | Confident | 198 Ų | 198 | 59.2 Ų | 59.2 | 93% | 0.925 | 28% | 0.284 | S | S | * | . | trans | -80.8 | -14 | -171.8 | -66.4 | -177.1 | 171.4 | 0 | 0 | 114.7 | ||||
| 131 | E | 63.6 | Low | 73.7 | Confident | 91 Ų | 91 | 62.1 Ų | 62.1 | 43% | 0.425 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -70.3 | 147.8 | -176.3 | -62.8 | -174.5 | 170.8 | 0 | 0 | 113.9 | H89 I129 T133 | H89-E131 WeakPolarHBondContact CA-OE2 3.09Å; H89-E131 VanDerWaalsContact CB-OE1 3.23Å; H89-E131 WeakPolarHBondContact CB-OE1 3.45Å; H89-E131 WeakPolarHBondContact CB-OE2 3.49Å; H89-E131 IonicContact CD2-OE1 2.7Å; H89-E131 PolarHBondContact CD2-OE1 3.08Å; H89-E131 IonicContact CD2-OE2 3.19Å; H89-E131 PolarHBondContact CD2-OE2 2.88Å; H89-E131 IonicContact CG-OE1 3.25Å; H89-E131 IonicContact CG-OE2 3.38Å; I129-E131 HydrophobicContact CG2-CB 4.44Å; E131-T133 PolarHBondContact O-N 3.28Å; E131-T133 PolarHBondContact O-OG1 3.15Å |
| 132 | D | 55.7 | Low | 73.5 | Confident | 160 Ų | 160 | 61.9 Ų | 61.9 | 86% | 0.856 | 30% | 0.296 | S | S | * | . | trans | -55.1 | 82.7 | 176.2 | -79.6 | -23.1 | 0 | 0 | 0 | 111.6 | ||||
| 133 | T | 58.8 | Low | 73.5 | Confident | 22 Ų | 22 | 61.9 Ų | 61.9 | 14% | 0.135 | 30% | 0.296 | C | S | . | . | trans | -87.4 | 131.3 | 176.5 | -44.7 | 0 | 0 | 0 | 0 | 107.3 | V97 F126 E131 S135 Y136 K178 | V97-T133 HydrophobicContact CG1-CG2 4.21Å; V97-T133 HydrophobicContact CG2-CG2 4.14Å; F126-T133 HydrophobicContact CE2-CG2 3.89Å; F126-T133 HydrophobicContact CZ-CG2 4Å; E131-T133 PolarHBondContact O-N 3.28Å; E131-T133 PolarHBondContact O-OG1 3.15Å; T133-S135 PolarHBondContact O-N 2.62Å; T133-Y136 HydrophobicContact CG2-CE2 4.2Å; T133-K178 PolarHBondContact OG1-NZ 3.23Å | ||
| 134 | P | 57.1 | Low | 73.5 | Confident | 35 Ų | 35 | 62 Ų | 62 | 23% | 0.227 | 30% | 0.297 | C | S | . | . | trans | -54.6 | 142.7 | -178.7 | -20.9 | 27.9 | 0 | 0 | 0 | 113 | K94 Y136 | K94-P134 HydrophobicContact CB-CG 3.87Å; K94-P134 HydrophobicContact CD-CB 4.4Å; K94-P134 HydrophobicContact CD-CG 3.33Å; K94-P134 HydrophobicContact CG-CG 3.38Å; P134-Y136 HydrophobicContact CB-CE2 4.36Å; P134-Y136 WeakPolarHBondContact O-CD2 3.33Å; P134-Y136 WeakPolarHBondContact O-CE2 3.24Å; P134-Y136 PolarHBondContact O-N 3.12Å | ||
| 135 | S | 57.1 | Low | 73.6 | Confident | 39 Ų | 39 | 62.7 Ų | 62.7 | 27% | 0.273 | 30% | 0.303 | S | S | . | . | trans | -70 | 97.7 | 178.4 | -98.4 | 0 | 0 | 0 | 0 | 113.4 | T133 H137 D182 | T133-S135 PolarHBondContact O-N 2.62Å; S135-H137 PolarHBondContact O-N 3.31Å; S135-H137 PolarHBondContact O-ND1 3.3Å; S135-D182 PolarHBondContact OG-OD2 2.88Å | ||
| 136 | Y | 63.2 | Low | 73.8 | Confident | 32 Ų | 32 | 60.4 Ų | 60.4 | 13% | 0.125 | 29% | 0.294 | C | S | . | . | trans | -76.7 | 45.6 | 171.6 | -58.4 | -83.9 | 0 | 0 | 0 | 112.9 | K94 V97 E98 L101 T133 P134 R138 R139 Y140 | K94-Y136 VanDerWaalsContact C-OH 3.31Å; K94-Y136 VanDerWaalsContact CA-OH 3.32Å; K94-Y136 WeakPolarHBondContact CA-OH 3.35Å; K94-Y136 PolarHBondContact O-OH 3.3Å; V97-Y136 HydrophobicContact CB-CE2 3.92Å; V97-Y136 WeakPolarHBondContact CB-OH 3.4Å; V97-Y136 HydrophobicContact CG1-CD2 3.96Å; V97-Y136 HydrophobicContact CG1-CE2 3.28Å; E98-Y136 HydrophobicContact CB-CE1 3.95Å; E98-Y136 HydrophobicContact CG-CE1 4.44Å; L101-Y136 HydrophobicContact CD1-CD1 4.41Å; L101-Y136 HydrophobicContact CD1-CD2 3.64Å; L101-Y136 HydrophobicContact CD1-CE2 4.34Å; L101-Y136 HydrophobicContact CD1-CG 3.72Å; T133-Y136 HydrophobicContact CG2-CE2 4.2Å; P134-Y136 HydrophobicContact CB-CE2 4.36Å; P134-Y136 WeakPolarHBondContact O-CD2 3.33Å; P134-Y136 WeakPolarHBondContact O-CE2 3.24Å; P134-Y136 PolarHBondContact O-N 3.12Å; Y136-R138 PolarHBondContact O-N 2.91Å; Y136-R139 WeakPolarHBondContact O-CB 3.36Å; Y136-R139 PolarHBondContact O-N 2.88Å; Y136-Y140 PolarHBondContact O-N 2.79Å | ||
| 137 | H | 58.1 | Low | 74.3 | Confident | 89 Ų | 89 | 60.3 Ų | 60.3 | 41% | 0.412 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -46.6 | -52 | -169.8 | 63.8 | -73.7 | 0 | 0 | 0 | 114.6 | S135 R139 Y140 | S135-H137 PolarHBondContact O-N 3.31Å; S135-H137 PolarHBondContact O-ND1 3.3Å; H137-R139 PolarHBondContact O-N 3.18Å; H137-Y140 PolarHBondContact O-N 3.24Å |
| 138 | R | 64.8 | Low | 74.8 | Confident | 205 Ų | 205 | 60.3 Ų | 60.3 | 77% | 0.774 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -59.7 | -21.7 | -179.5 | -64.3 | -171.3 | -178.5 | 168.4 | -2.2 | 114.3 | Y136 | Y136-R138 PolarHBondContact O-N 2.91Å |
| 139 | R | 69.8 | Low | 75.3 | Confident | 54 Ų | 54 | 59 Ų | 59 | 20% | 0.204 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -89.9 | -23.5 | -179.6 | -152 | 113.7 | 128.5 | -134.1 | -13.2 | 111.9 | E98 L101 H102 Y136 H137 D141 F142 F143 | E98-R139 VanDerWaalsContact CG-NH1 3.35Å; E98-R139 PolarHBondContact O-NH2 3.26Å; E98-R139 IonicContact OE1-NH1 3.49Å; L101-R139 VanDerWaalsContact C-NH2 3.26Å; H102-R139 VanDerWaalsContact CB-NH2 3.26Å; Y136-R139 WeakPolarHBondContact O-CB 3.36Å; Y136-R139 PolarHBondContact O-N 2.88Å; H137-R139 PolarHBondContact O-N 3.18Å; R139-D141 PolarHBondContact O-N 3.37Å; R139-F142 WeakPolarHBondContact O-CB 3.31Å; R139-F142 PolarHBondContact O-N 3.27Å; R139-F143 HydrophobicContact CB-CE2 4.4Å; R139-F143 HydrophobicContact CG-CD2 4.4Å; R139-F143 HydrophobicContact CG-CE2 3.84Å; R139-F143 WeakPolarHBondContact O-CD2 3.28Å; R139-F143 PolarHBondContact O-N 2.85Å |
| 140 | Y | 77.4 | Confident | 76 | Confident | 21 Ų | 21 | 58.5 Ų | 58.5 | 8% | 0.082 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.9 | -27.4 | 174 | -70.5 | -51.3 | 0 | 0 | 0 | 112 | F123 Y136 H137 F142 F143 V144 V175 T179 | F123-Y140 HydrophobicContact CE2-CE1 4.06Å; F123-Y140 HydrophobicContact CZ-CD1 4.33Å; F123-Y140 AromaticContact CZ-CE1 3.87Å; F123-Y140 HydrophobicContact CZ-CE1 3.87Å; Y136-Y140 PolarHBondContact O-N 2.79Å; H137-Y140 PolarHBondContact O-N 3.24Å; Y140-F142 PolarHBondContact O-N 3.23Å; Y140-F143 AromaticContact CD1-CD2 3.92Å; Y140-F143 HydrophobicContact CD1-CD2 3.92Å; Y140-F143 HydrophobicContact CE1-CD2 4.46Å; Y140-F143 PolarHBondContact O-N 3.03Å; Y140-F143 VanDerWaalsContact O-N 3.09Å; Y140-V144 WeakPolarHBondContact O-CB 3.36Å; Y140-V144 VanDerWaalsContact O-CG2 3.3Å; Y140-V144 WeakPolarHBondContact O-CG2 3.46Å; Y140-V144 PolarHBondContact O-N 3.43Å; Y140-V175 HydrophobicContact CD1-CG1 4.46Å; Y140-T179 HydrophobicContact CD2-CG2 3.98Å; Y140-T179 HydrophobicContact CE2-CG2 4.16Å; Y140-T179 HydrophobicContact CG-CG2 4.37Å |
| 141 | D | 83 | Confident | 77.4 | Confident | 62 Ų | 62 | 49 Ų | 49 | 33% | 0.332 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -54.7 | -43.9 | 171.5 | -58.1 | 5.3 | 0 | 0 | 0 | 111.8 | R139 S145 H193 | R139-D141 PolarHBondContact O-N 3.37Å; D141-S145 VanDerWaalsContact O-CB 3.32Å; D141-S145 WeakPolarHBondContact O-CB 3.24Å; D141-S145 PolarHBondContact O-N 3.13Å; D141-S145 VanDerWaalsContact O-N 3.09Å; D141-S145 PolarHBondContact O-OG 3.46Å; D141-H193 IonicContact OD1-CE1 3.4Å; D141-H193 PolarHBondContact OD1-CE1 3.31Å; D141-H193 IonicContact OD1-NE2 3.48Å |
| 142 | F | 88.1 | Confident | 78.7 | Confident | 60 Ų | 60 | 48.1 Ų | 48.1 | 26% | 0.263 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.7 | -49.9 | 174.8 | 169.2 | -89.2 | 0 | 0 | 0 | 110.6 | A105 E109 R139 Y140 S145 Q146 | A105-F142 HydrophobicContact CB-CD1 3.92Å; A105-F142 HydrophobicContact CB-CE1 3.44Å; A105-F142 VanDerWaalsContact CB-CE1 3.44Å; A105-F142 HydrophobicContact CB-CZ 4.06Å; E109-F142 HydrophobicContact CG-CE2 3.99Å; E109-F142 HydrophobicContact CG-CZ 3.74Å; R139-F142 WeakPolarHBondContact O-CB 3.31Å; R139-F142 PolarHBondContact O-N 3.27Å; Y140-F142 PolarHBondContact O-N 3.23Å; F142-S145 PolarHBondContact O-N 3.18Å; F142-Q146 HydrophobicContact CE1-CB 4.21Å; F142-Q146 HydrophobicContact CE1-CG 4.48Å; F142-Q146 HydrophobicContact CZ-CB 4.12Å; F142-Q146 HydrophobicContact CZ-CG 4.15Å; F142-Q146 WeakPolarHBondContact O-CB 3.4Å; F142-Q146 PolarHBondContact O-N 2.85Å |
| 143 | F | 89.1 | Confident | 80.3 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.6 | -45.5 | -178.6 | -70.5 | -62.6 | 0 | 0 | 0 | 112.8 | L101 V104 A105 L108 F123 R139 Y140 S145 Q146 F147 V175 | L101-F143 HydrophobicContact CB-CE2 4.18Å; L101-F143 HydrophobicContact CB-CZ 4.06Å; L101-F143 HydrophobicContact CD2-CE2 3.92Å; L101-F143 HydrophobicContact CD2-CZ 3.92Å; L101-F143 HydrophobicContact CG-CE2 4.44Å; L101-F143 WeakPolarHBondContact O-CZ 3.44Å; V104-F143 HydrophobicContact CB-CE1 4.32Å; V104-F143 HydrophobicContact CB-CZ 4.49Å; V104-F143 HydrophobicContact CG1-CE1 3.75Å; V104-F143 HydrophobicContact CG1-CZ 4.32Å; A105-F143 HydrophobicContact CB-CE1 4.22Å; A105-F143 HydrophobicContact CB-CZ 4.26Å; L108-F143 HydrophobicContact CD1-CD1 3.71Å; L108-F143 HydrophobicContact CD1-CE1 3.83Å; F123-F143 HydrophobicContact CD2-CD1 4.41Å; F123-F143 HydrophobicContact CD2-CE1 4.28Å; F123-F143 HydrophobicContact CD2-CZ 4.42Å; F123-F143 HydrophobicContact CE2-CD1 4.31Å; F123-F143 HydrophobicContact CE2-CD2 4.1Å; F123-F143 HydrophobicContact CE2-CE1 4.43Å; F123-F143 HydrophobicContact CE2-CE2 4.2Å; F123-F143 HydrophobicContact CE2-CG 4.16Å; F123-F143 HydrophobicContact CE2-CZ 4.36Å; R139-F143 HydrophobicContact CB-CE2 4.4Å; R139-F143 HydrophobicContact CG-CD2 4.4Å; R139-F143 HydrophobicContact CG-CE2 3.84Å; R139-F143 WeakPolarHBondContact O-CD2 3.28Å; R139-F143 PolarHBondContact O-N 2.85Å; Y140-F143 AromaticContact CD1-CD2 3.92Å; Y140-F143 HydrophobicContact CD1-CD2 3.92Å; Y140-F143 HydrophobicContact CE1-CD2 4.46Å; Y140-F143 PolarHBondContact O-N 3.03Å; Y140-F143 VanDerWaalsContact O-N 3.09Å; F143-S145 VanDerWaalsContact C-N 3.3Å; F143-S145 PolarHBondContact O-N 2.8Å; F143-Q146 PolarHBondContact O-N 2.88Å; F143-F147 HydrophobicContact CB-CD2 4.01Å; F143-F147 HydrophobicContact CB-CE2 3.88Å; F143-F147 AromaticContact CD1-CE2 3.95Å; F143-F147 HydrophobicContact CD1-CE2 3.95Å; F143-F147 HydrophobicContact CD1-CZ 4.25Å; F143-F147 HydrophobicContact CG-CE2 4.27Å; F143-F147 VanDerWaalsContact O-CB 3.26Å; F143-F147 WeakPolarHBondContact O-CB 3.48Å; F143-F147 WeakPolarHBondContact O-CD2 3.31Å; F143-F147 WeakPolarHBondContact O-CG 3.27Å; F143-F147 PolarHBondContact O-N 2.88Å; F143-V175 HydrophobicContact CB-CG2 4.25Å |
| 144 | V | 90 | Very high | 81.6 | Confident | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.018 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -56.7 | -47.6 | 174.2 | 171.6 | 0 | 0 | 0 | 0 | 109.7 | Y140 S148 V175 K196 L197 | Y140-V144 WeakPolarHBondContact O-CB 3.36Å; Y140-V144 VanDerWaalsContact O-CG2 3.3Å; Y140-V144 WeakPolarHBondContact O-CG2 3.46Å; Y140-V144 PolarHBondContact O-N 3.43Å; V144-S148 WeakPolarHBondContact O-CB 3.48Å; V144-S148 PolarHBondContact O-N 3.37Å; V144-S148 PolarHBondContact O-OG 2.91Å; V144-V175 HydrophobicContact CG2-CG1 3.83Å; V144-K196 HydrophobicContact CG1-CB 4.14Å; V144-K196 HydrophobicContact CG1-CD 4.34Å; V144-L197 HydrophobicContact CG1-CD2 3.99Å; V144-L197 HydrophobicContact CG1-CG 3.99Å; V144-L197 HydrophobicContact CG2-CD2 4.43Å |
| 145 | S | 91.3 | Very high | 83.1 | Confident | 43 Ų | 43 | 48.2 Ų | 48.2 | 30% | 0.301 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.5 | -44.5 | -179.4 | -57.1 | 0 | 0 | 0 | 0 | 112.1 | D141 F142 F143 A149 K196 | D141-S145 VanDerWaalsContact O-CB 3.32Å; D141-S145 WeakPolarHBondContact O-CB 3.24Å; D141-S145 PolarHBondContact O-N 3.13Å; D141-S145 VanDerWaalsContact O-N 3.09Å; D141-S145 PolarHBondContact O-OG 3.46Å; F142-S145 PolarHBondContact O-N 3.18Å; F143-S145 VanDerWaalsContact C-N 3.3Å; F143-S145 PolarHBondContact O-N 2.8Å; S145-A149 WeakPolarHBondContact O-CB 3.42Å; S145-A149 PolarHBondContact O-N 3Å; S145-K196 PolarHBondContact OG-NZ 3.46Å |
| 146 | Q | 92.6 | Very high | 84.4 | Confident | 45 Ų | 45 | 55.2 Ų | 55.2 | 21% | 0.21 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -72.2 | -45.5 | -176.4 | -169.9 | 59.7 | 18.2 | 0 | 0 | 112.2 | L108 F142 F143 S148 A149 M150 | L108-Q146 HydrophobicContact CB-CG 3.75Å; L108-Q146 PolarHBondContact O-NE2 2.7Å; F142-Q146 HydrophobicContact CE1-CB 4.21Å; F142-Q146 HydrophobicContact CE1-CG 4.48Å; F142-Q146 HydrophobicContact CZ-CB 4.12Å; F142-Q146 HydrophobicContact CZ-CG 4.15Å; F142-Q146 WeakPolarHBondContact O-CB 3.4Å; F142-Q146 PolarHBondContact O-N 2.85Å; F143-Q146 PolarHBondContact O-N 2.88Å; Q146-S148 VanDerWaalsContact C-N 3.35Å; Q146-S148 PolarHBondContact O-N 2.93Å; Q146-A149 WeakPolarHBondContact O-CB 3.27Å; Q146-A149 PolarHBondContact O-N 3.26Å; Q146-M150 WeakPolarHBondContact O-CG 3.36Å; Q146-M150 PolarHBondContact O-N 3.22Å |
| 147 | F | 94.5 | Very high | 85.6 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.4 | -36 | 175.7 | -69.3 | -45.8 | 0 | 0 | 0 | 112.1 | L108 T120 F123 F143 M150 C151 L172 V175 | L108-F147 HydrophobicContact CD1-CD1 4.25Å; L108-F147 HydrophobicContact CD1-CE1 3.46Å; L108-F147 VanDerWaalsContact CD1-CE1 3.46Å; L108-F147 HydrophobicContact CD1-CE2 4.32Å; L108-F147 HydrophobicContact CD1-CZ 3.51Å; L108-F147 HydrophobicContact CD2-CD1 4.36Å; L108-F147 HydrophobicContact CD2-CE1 3.64Å; L108-F147 HydrophobicContact CD2-CZ 4.4Å; L108-F147 HydrophobicContact CG-CE1 4.21Å; T120-F147 WeakPolarHBondContact OG1-CE1 3.46Å; F123-F147 HydrophobicContact CB-CZ 4.11Å; F123-F147 AromaticContact CD1-CE2 3.67Å; F123-F147 HydrophobicContact CD1-CE2 3.67Å; F123-F147 AromaticContact CD1-CZ 3.75Å; F123-F147 HydrophobicContact CD1-CZ 3.75Å; F123-F147 HydrophobicContact CD2-CZ 4.5Å; F123-F147 AromaticContact CE1-CE2 3.76Å; F123-F147 HydrophobicContact CE1-CE2 3.76Å; F123-F147 HydrophobicContact CE1-CZ 4.32Å; F123-F147 HydrophobicContact CG-CE2 4.07Å; F123-F147 AromaticContact CG-CZ 3.86Å; F123-F147 HydrophobicContact CG-CZ 3.86Å; F123-F147 HydrophobicContact CZ-CE2 4.23Å; F143-F147 HydrophobicContact CB-CD2 4.01Å; F143-F147 HydrophobicContact CB-CE2 3.88Å; F143-F147 AromaticContact CD1-CE2 3.95Å; F143-F147 HydrophobicContact CD1-CE2 3.95Å; F143-F147 HydrophobicContact CD1-CZ 4.25Å; F143-F147 HydrophobicContact CG-CE2 4.27Å; F143-F147 VanDerWaalsContact O-CB 3.26Å; F143-F147 WeakPolarHBondContact O-CB 3.48Å; F143-F147 WeakPolarHBondContact O-CD2 3.31Å; F143-F147 WeakPolarHBondContact O-CG 3.27Å; F143-F147 PolarHBondContact O-N 2.88Å; F147-M150 HydrophobicContact CD1-SD 3.9Å; F147-M150 HydrophobicContact CE1-SD 4.47Å; F147-M150 WeakPolarHBondContact O-CB 3.28Å; F147-M150 PolarHBondContact O-N 3.43Å; F147-C151 PolarHBondContact O-N 3.19Å; F147-C151 PolarHBondContact O-SG 3.38Å; F147-L172 HydrophobicContact CB-CD2 3.42Å; F147-L172 VanDerWaalsContact CB-CD2 3.42Å; F147-L172 HydrophobicContact CB-CG 3.84Å; F147-L172 HydrophobicContact CD2-CD2 4.49Å; F147-L172 HydrophobicContact CG-CD2 4.42Å; F147-V175 HydrophobicContact CD2-CG2 4.06Å; F147-V175 HydrophobicContact CE2-CG2 4.16Å |
| 148 | S | 93.8 | Very high | 86.9 | Confident | 7 Ų | 7 | 55.8 Ų | 55.8 | 5% | 0.049 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 171.3 | -59.9 | 0 | 0 | 0 | 0 | 111.2 | V144 Q146 M150 C151 H152 S200 | V144-S148 WeakPolarHBondContact O-CB 3.48Å; V144-S148 PolarHBondContact O-N 3.37Å; V144-S148 PolarHBondContact O-OG 2.91Å; Q146-S148 VanDerWaalsContact C-N 3.35Å; Q146-S148 PolarHBondContact O-N 2.93Å; S148-M150 VanDerWaalsContact C-N 3.31Å; S148-M150 PolarHBondContact O-N 2.57Å; S148-C151 VanDerWaalsContact O-CB 3.31Å; S148-C151 WeakPolarHBondContact O-CB 3.12Å; S148-C151 PolarHBondContact O-N 3.31Å; S148-C151 VanDerWaalsContact O-N 3.14Å; S148-H152 PolarHBondContact O-CD2 2.8Å; S148-H152 VanDerWaalsContact O-CD2 3.22Å; S148-H152 PolarHBondContact O-N 3.19Å; S148-S200 WeakPolarHBondContact CA-OG 3.41Å; S148-S200 WeakPolarHBondContact CB-OG 3.4Å; S148-S200 PolarHBondContact OG-OG 2.86Å |
| 149 | A | 93 | Very high | 88 | Confident | 57 Ų | 57 | 52.7 Ų | 52.7 | 47% | 0.471 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.3 | -39.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | S145 Q146 C151 H152 S153 | S145-A149 WeakPolarHBondContact O-CB 3.42Å; S145-A149 PolarHBondContact O-N 3Å; Q146-A149 WeakPolarHBondContact O-CB 3.27Å; Q146-A149 PolarHBondContact O-N 3.26Å; A149-C151 VanDerWaalsContact C-N 3.34Å; A149-C151 PolarHBondContact O-N 2.97Å; A149-H152 CarbonylContact O-C 3.4Å; A149-H152 PolarHBondContact O-N 3.48Å; A149-H152 VanDerWaalsContact O-N 3.16Å; A149-S153 PolarHBondContact O-N 2.93Å |
| 150 | M | 92.9 | Very high | 88.8 | Confident | 5 Ų | 5 | 50.7 Ų | 50.7 | 3% | 0.025 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.3 | -37.4 | 173.9 | -67.9 | 170 | 62.4 | 0 | 0 | 112.3 | L108 Q116 Q146 F147 S148 H152 S153 I164 A167 | L108-M150 HydrophobicContact CD2-CE 4.46Å; L108-M150 HydrophobicContact CD2-SD 3.95Å; Q116-M150 HydrophobicContact CB-CE 3.8Å; Q116-M150 HydrophobicContact CB-SD 4.43Å; Q146-M150 WeakPolarHBondContact O-CG 3.36Å; Q146-M150 PolarHBondContact O-N 3.22Å; F147-M150 HydrophobicContact CD1-SD 3.9Å; F147-M150 HydrophobicContact CE1-SD 4.47Å; F147-M150 WeakPolarHBondContact O-CB 3.28Å; F147-M150 PolarHBondContact O-N 3.43Å; S148-M150 VanDerWaalsContact C-N 3.31Å; S148-M150 PolarHBondContact O-N 2.57Å; M150-H152 PolarHBondContact O-N 3.33Å; M150-S153 VanDerWaalsContact O-CB 3.31Å; M150-S153 WeakPolarHBondContact O-CB 3.44Å; M150-S153 PolarHBondContact O-N 3.21Å; M150-S153 VanDerWaalsContact O-N 3.11Å; M150-I164 HydrophobicContact CB-CG2 3.92Å; M150-I164 HydrophobicContact CE-CG2 4.41Å; M150-I164 HydrophobicContact CG-CG2 4.18Å; M150-A167 HydrophobicContact CE-CB 3.74Å |
| 151 | C | 92.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.3 | -24.4 | 174.5 | -66.2 | 0 | 0 | 0 | 0 | 113 | F147 S148 A149 I169 N204 | F147-C151 PolarHBondContact O-N 3.19Å; F147-C151 PolarHBondContact O-SG 3.38Å; S148-C151 VanDerWaalsContact O-CB 3.31Å; S148-C151 WeakPolarHBondContact O-CB 3.12Å; S148-C151 PolarHBondContact O-N 3.31Å; S148-C151 VanDerWaalsContact O-N 3.14Å; A149-C151 VanDerWaalsContact C-N 3.34Å; A149-C151 PolarHBondContact O-N 2.97Å; C151-I169 PolarHBondContact SG-N 2.93Å; C151-N204 WeakPolarHBondContact CB-ND2 3.3Å; C151-N204 PolarHBondContact O-ND2 3.07Å |
| 152 | H | 91.1 | Very high | 89.5 | Confident | 71 Ų | 71 | 52.7 Ų | 52.7 | 33% | 0.329 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 19.1 | 177.3 | -66.2 | -70.1 | 0 | 0 | 0 | 113.4 | S148 A149 M150 T154 S200 F203 | S148-H152 PolarHBondContact O-CD2 2.8Å; S148-H152 VanDerWaalsContact O-CD2 3.22Å; S148-H152 PolarHBondContact O-N 3.19Å; A149-H152 CarbonylContact O-C 3.4Å; A149-H152 PolarHBondContact O-N 3.48Å; A149-H152 VanDerWaalsContact O-N 3.16Å; M150-H152 PolarHBondContact O-N 3.33Å; H152-T154 PolarHBondContact O-N 3.06Å; H152-S200 PolarHBondContact NE2-OG 2.87Å; H152-F203 VanDerWaalsContact CE1-CB 3.5Å; H152-F203 WeakPolarHBondContact CE1-CB 3.48Å; H152-F203 AromaticContact CE1-CD1 3.78Å; H152-F203 AromaticContact CE1-CG 3.51Å; H152-F203 AromaticContact ND1-CD1 3.28Å; H152-F203 VanDerWaalsContact ND1-CD1 3.28Å; H152-F203 WeakPolarHBondContact ND1-CD1 3.27Å; H152-F203 AromaticContact ND1-CD2 3.88Å; H152-F203 AromaticContact ND1-CE1 3.67Å; H152-F203 AromaticContact ND1-CG 3.4Å; H152-F203 WeakPolarHBondContact ND1-CG 3.34Å |
| 153 | S | 88.9 | Confident | 89.6 | Confident | 20 Ų | 20 | 55 Ų | 55 | 14% | 0.14 | 29% | 0.289 | C | S | . | . | trans | -56 | 133.3 | 180 | -179 | 0 | 0 | 0 | 0 | 112.1 | A149 M150 R161 R165 | A149-S153 PolarHBondContact O-N 2.93Å; M150-S153 VanDerWaalsContact O-CB 3.31Å; M150-S153 WeakPolarHBondContact O-CB 3.44Å; M150-S153 PolarHBondContact O-N 3.21Å; M150-S153 VanDerWaalsContact O-N 3.11Å; S153-R161 WeakPolarHBondContact O-CD 3.42Å; S153-R161 WeakPolarHBondContact O-CG 3.21Å; S153-R165 PolarHBondContact O-NE 3.47Å; S153-R165 PolarHBondContact O-NH2 3.44Å; S153-R165 VanDerWaalsContact O-NH2 3.14Å | ||
| 154 | T | 85.9 | Confident | 89.7 | Confident | 126 Ų | 126 | 55.4 Ų | 55.4 | 77% | 0.773 | 29% | 0.291 | S | S | * | . | trans | -112.8 | 28.7 | 177.8 | 53.6 | 0 | 0 | 0 | 0 | 112.1 | H152 | H152-T154 PolarHBondContact O-N 3.06Š| ||
| 155 | H | 88.1 | Confident | 89.8 | Confident | 73 Ų | 73 | 56.5 Ų | 56.5 | 34% | 0.338 | 29% | 0.294 | S | S | . | . | trans | -53.4 | 141.2 | -179.6 | -166.7 | -83.5 | 0 | 0 | 0 | 112.2 | D157 R161 I164 | H155-D157 PolarHBondContact ND1-N 3.15Å; H155-D157 VanDerWaalsContact ND1-N 3.18Å; H155-D157 PolarHBondContact ND1-O 3.34Å; H155-R161 HydrophobicContact CB-CB 4.02Å; H155-R161 PolarHBondContact O-NH1 3.03Å; H155-R161 VanDerWaalsContact O-NH1 3.15Å; H155-I164 HydrophobicContact CB-CD1 4.31Å | ||
| 156 | E | 85.4 | Confident | 89.8 | Confident | 186 Ų | 186 | 55.2 Ų | 55.2 | 87% | 0.869 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -60.2 | -48.2 | -175 | -65 | -176 | 173 | 0 | 0 | 111.5 | P158 | E156-P158 WeakPolarHBondContact O-CD 3.34Š|
| 157 | D | 87.9 | Confident | 89.8 | Confident | 62 Ų | 62 | 53.3 Ų | 53.3 | 33% | 0.332 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -72.6 | 120 | 174.9 | 172.9 | 43.1 | 0 | 0 | 0 | 111.8 | H155 E159 T160 R161 | H155-D157 PolarHBondContact ND1-N 3.15Å; H155-D157 VanDerWaalsContact ND1-N 3.18Å; H155-D157 PolarHBondContact ND1-O 3.34Å; D157-E159 PolarHBondContact O-N 3.14Å; D157-T160 PolarHBondContact O-N 2.82Å; D157-T160 WeakPolarHBondContact OD2-CB 3.38Å; D157-T160 PolarHBondContact OD2-N 2.73Å; D157-T160 PolarHBondContact OD2-OG1 2.87Å; D157-R161 WeakPolarHBondContact O-CB 3.46Å; D157-R161 PolarHBondContact O-N 3.5Å |
| 158 | P | 85.6 | Confident | 89.8 | Confident | 72 Ų | 72 | 53.3 Ų | 53.3 | 47% | 0.468 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.2 | -39.3 | 179.2 | -24.9 | 35.1 | 0 | 0 | 0 | 114.7 | E156 R161 T162 | E156-P158 WeakPolarHBondContact O-CD 3.34Å; P158-R161 WeakPolarHBondContact O-CB 3.47Å; P158-R161 PolarHBondContact O-N 2.92Å; P158-T162 PolarHBondContact O-N 3.18Å; P158-T162 PolarHBondContact O-OG1 2.83Å; P158-T162 VanDerWaalsContact O-OG1 3.09Å |
| 159 | E | 87 | Confident | 89.8 | Confident | 139 Ų | 139 | 53 Ų | 53 | 65% | 0.65 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -66.7 | -48.8 | -179.1 | -70.1 | -178.7 | -173.3 | 0 | 0 | 110.4 | D157 R161 T162 R163 | D157-E159 PolarHBondContact O-N 3.14Å; E159-R161 VanDerWaalsContact C-N 3.31Å; E159-R161 PolarHBondContact O-N 3.38Å; E159-T162 PolarHBondContact O-N 3.43Å; E159-R163 WeakPolarHBondContact O-CG 3.42Å; E159-R163 PolarHBondContact O-N 2.93Å |
| 160 | T | 87.2 | Confident | 89.8 | Confident | 13 Ų | 13 | 52.6 Ų | 52.6 | 8% | 0.08 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.6 | -36.9 | 175.4 | -61.2 | 0 | 0 | 0 | 0 | 112 | P113 D157 R163 I164 | P113-T160 HydrophobicContact CB-CG2 3.67Å; P113-T160 HydrophobicContact CG-CG2 3.45Å; P113-T160 VanDerWaalsContact CG-CG2 3.45Å; D157-T160 PolarHBondContact O-N 2.82Å; D157-T160 WeakPolarHBondContact OD2-CB 3.38Å; D157-T160 PolarHBondContact OD2-N 2.73Å; D157-T160 PolarHBondContact OD2-OG1 2.87Å; T160-R163 PolarHBondContact O-N 3.46Å; T160-R163 PolarHBondContact OG1-NH2 2.89Å; T160-I164 HydrophobicContact CG2-CD1 3.96Å; T160-I164 HydrophobicContact CG2-CG1 4.46Å; T160-I164 VanDerWaalsContact O-CG1 3.26Å; T160-I164 WeakPolarHBondContact O-CG1 3.27Å; T160-I164 PolarHBondContact O-N 2.92Å |
| 161 | R | 87.9 | Confident | 89.7 | Confident | 70 Ų | 70 | 52.3 Ų | 52.3 | 26% | 0.264 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.2 | -49 | 172.8 | -174.4 | 174.8 | 62.8 | -116.6 | 2.3 | 111.3 | S153 H155 D157 P158 E159 I164 R165 | S153-R161 WeakPolarHBondContact O-CD 3.42Å; S153-R161 WeakPolarHBondContact O-CG 3.21Å; H155-R161 HydrophobicContact CB-CB 4.02Å; H155-R161 PolarHBondContact O-NH1 3.03Å; H155-R161 VanDerWaalsContact O-NH1 3.15Å; D157-R161 WeakPolarHBondContact O-CB 3.46Å; D157-R161 PolarHBondContact O-N 3.5Å; P158-R161 WeakPolarHBondContact O-CB 3.47Å; P158-R161 PolarHBondContact O-N 2.92Å; E159-R161 VanDerWaalsContact C-N 3.31Å; E159-R161 PolarHBondContact O-N 3.38Å; R161-I164 PolarHBondContact O-N 2.88Å; R161-R165 WeakPolarHBondContact O-CG 3.4Å; R161-R165 PolarHBondContact O-N 3.27Å |
| 162 | T | 88 | Confident | 89.7 | Confident | 55 Ų | 55 | 52.3 Ų | 52.3 | 34% | 0.337 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62 | -44.5 | 177.3 | -60.9 | 0 | 0 | 0 | 0 | 111.3 | P158 E159 I164 R165 V166 P232 | P158-T162 PolarHBondContact O-N 3.18Å; P158-T162 PolarHBondContact O-OG1 2.83Å; P158-T162 VanDerWaalsContact O-OG1 3.09Å; E159-T162 PolarHBondContact O-N 3.43Å; T162-I164 PolarHBondContact O-N 3.1Å; T162-R165 PolarHBondContact O-N 3.17Å; T162-V166 HydrophobicContact CG2-CG2 4.17Å; T162-V166 WeakPolarHBondContact O-CB 3.45Å; T162-V166 VanDerWaalsContact O-CG2 3.31Å; T162-V166 WeakPolarHBondContact O-CG2 3.46Å; T162-V166 PolarHBondContact O-N 3.03Å; T162-P232 HydrophobicContact CG2-CG 4.27Å |
| 163 | R | 90.1 | Very high | 89.6 | Confident | 108 Ų | 108 | 50.1 Ų | 50.1 | 41% | 0.408 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -57.4 | -45.1 | 176.3 | -72 | -169.7 | -61.9 | 142.4 | 1.2 | 112.5 | D114 E159 T160 A167 | D114-R163 IonicContact OD1-CZ 3.46Å; D114-R163 IonicContact OD1-NH1 3.07Å; D114-R163 PolarHBondContact OD1-NH1 3.29Å; D114-R163 IonicContact OD1-NH2 2.96Å; E159-R163 WeakPolarHBondContact O-CG 3.42Å; E159-R163 PolarHBondContact O-N 2.93Å; T160-R163 PolarHBondContact O-N 3.46Å; T160-R163 PolarHBondContact OG1-NH2 2.89Å; R163-A167 WeakPolarHBondContact O-CB 3.2Å; R163-A167 PolarHBondContact O-N 2.79Å |
| 164 | I | 90.3 | Very high | 89.6 | Confident | 8 Ų | 8 | 49.3 Ų | 49.3 | 4% | 0.041 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.3 | -43.1 | 177.9 | -65.1 | 164.8 | 0 | 0 | 0 | 110.8 | P113 M150 H155 T160 R161 T162 A167 G168 | P113-I164 HydrophobicContact CB-CD1 4.03Å; P113-I164 HydrophobicContact CB-CG1 3.98Å; P113-I164 HydrophobicContact CG-CD1 4.08Å; M150-I164 HydrophobicContact CB-CG2 3.92Å; M150-I164 HydrophobicContact CE-CG2 4.41Å; M150-I164 HydrophobicContact CG-CG2 4.18Å; H155-I164 HydrophobicContact CB-CD1 4.31Å; T160-I164 HydrophobicContact CG2-CD1 3.96Å; T160-I164 HydrophobicContact CG2-CG1 4.46Å; T160-I164 VanDerWaalsContact O-CG1 3.26Å; T160-I164 WeakPolarHBondContact O-CG1 3.27Å; T160-I164 PolarHBondContact O-N 2.92Å; R161-I164 PolarHBondContact O-N 2.88Å; T162-I164 PolarHBondContact O-N 3.1Å; I164-A167 PolarHBondContact O-N 3.28Å; I164-G168 PolarHBondContact O-N 3.4Å |
| 165 | R | 91.8 | Very high | 89.6 | Confident | 26 Ų | 26 | 43.3 Ų | 43.3 | 10% | 0.098 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.3 | -45.6 | 179.3 | -71.6 | 177.3 | 177.7 | -165.5 | -5.1 | 112.3 | S153 R161 T162 A167 G168 I169 N204 D207 | S153-R165 PolarHBondContact O-NE 3.47Å; S153-R165 PolarHBondContact O-NH2 3.44Å; S153-R165 VanDerWaalsContact O-NH2 3.14Å; R161-R165 WeakPolarHBondContact O-CG 3.4Å; R161-R165 PolarHBondContact O-N 3.27Å; T162-R165 PolarHBondContact O-N 3.17Å; R165-A167 VanDerWaalsContact C-N 3.29Å; R165-A167 PolarHBondContact O-N 3.48Å; R165-G168 WeakPolarHBondContact O-CA 3.48Å; R165-G168 PolarHBondContact O-N 3.22Å; R165-I169 WeakPolarHBondContact O-CG1 3.33Å; R165-I169 PolarHBondContact O-N 3.45Å; R165-N204 WeakPolarHBondContact CD-OD1 3.47Å; R165-D207 IonicContact CZ-OD2 3.07Å; R165-D207 IonicContact NH1-OD2 3.67Å; R165-D207 PolarHBondContact NH1-OD2 3.01Å; R165-D207 IonicContact NH2-OD2 3.2Å |
| 166 | V | 92.4 | Very high | 89.5 | Confident | 17 Ų | 17 | 39.9 Ų | 39.9 | 10% | 0.103 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.2 | -44.4 | 173.5 | 167.7 | 0 | 0 | 0 | 0 | 110.6 | T162 G168 I169 K170 E230 P232 L235 | T162-V166 HydrophobicContact CG2-CG2 4.17Å; T162-V166 WeakPolarHBondContact O-CB 3.45Å; T162-V166 VanDerWaalsContact O-CG2 3.31Å; T162-V166 WeakPolarHBondContact O-CG2 3.46Å; T162-V166 PolarHBondContact O-N 3.03Å; V166-G168 VanDerWaalsContact C-N 3.35Å; V166-G168 PolarHBondContact O-N 3.05Å; V166-I169 PolarHBondContact O-N 3.25Å; V166-K170 HydrophobicContact CG1-CD 4.21Å; V166-K170 WeakPolarHBondContact O-CB 3.21Å; V166-K170 WeakPolarHBondContact O-CG 3.33Å; V166-K170 PolarHBondContact O-N 2.77Å; V166-E230 WeakPolarHBondContact CG1-OE2 3.46Å; V166-P232 HydrophobicContact CG2-CB 4.02Å; V166-L235 HydrophobicContact CB-CD1 4.49Å; V166-L235 HydrophobicContact CG1-CD1 3.75Å; V166-L235 HydrophobicContact CG2-CD1 4.34Å |
| 167 | A | 92.3 | Very high | 89.4 | Confident | 4 Ų | 4 | 34.4 Ų | 34.4 | 3% | 0.033 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.6 | -36.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V117 T120 M150 R163 I164 R165 G171 | V117-A167 HydrophobicContact CG2-CB 3.99Å; T120-A167 HydrophobicContact CG2-CB 4.11Å; T120-A167 WeakPolarHBondContact CG2-O 3.41Å; T120-A167 PolarHBondContact OG1-O 2.98Å; M150-A167 HydrophobicContact CE-CB 3.74Å; R163-A167 WeakPolarHBondContact O-CB 3.2Å; R163-A167 PolarHBondContact O-N 2.79Å; I164-A167 PolarHBondContact O-N 3.28Å; R165-A167 VanDerWaalsContact C-N 3.29Å; R165-A167 PolarHBondContact O-N 3.48Å; A167-G171 PolarHBondContact O-N 2.92Å |
| 168 | G | 93.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60 | -50.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | I164 R165 V166 K170 G171 L172 | I164-G168 PolarHBondContact O-N 3.4Å; R165-G168 WeakPolarHBondContact O-CA 3.48Å; R165-G168 PolarHBondContact O-N 3.22Å; V166-G168 VanDerWaalsContact C-N 3.35Å; V166-G168 PolarHBondContact O-N 3.05Å; G168-K170 PolarHBondContact O-N 2.83Å; G168-G171 PolarHBondContact O-N 3.39Å; G168-G171 VanDerWaalsContact O-N 3.17Å; G168-L172 WeakPolarHBondContact O-CG 3.42Å; G168-L172 PolarHBondContact O-N 3.21Å |
| 169 | I | 94.1 | Very high | 88.2 | Confident | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.5 | -44.9 | -177.7 | -63 | 159.8 | 0 | 0 | 0 | 111.2 | C151 R165 V166 G171 L172 Q173 N204 P232 L235 A236 C239 | C151-I169 PolarHBondContact SG-N 2.93Å; R165-I169 WeakPolarHBondContact O-CG1 3.33Å; R165-I169 PolarHBondContact O-N 3.45Å; V166-I169 PolarHBondContact O-N 3.25Å; I169-G171 VanDerWaalsContact C-N 3.29Å; I169-G171 PolarHBondContact O-N 3.11Å; I169-L172 PolarHBondContact O-N 3.31Å; I169-Q173 WeakPolarHBondContact O-CB 3.12Å; I169-Q173 PolarHBondContact O-N 3.45Å; I169-N204 HydrophobicContact CD1-CB 3.86Å; I169-P232 HydrophobicContact CD1-CB 4.02Å; I169-P232 WeakPolarHBondContact CD1-O 3.38Å; I169-L235 HydrophobicContact CG2-CB 3.81Å; I169-A236 HydrophobicContact CD1-CB 4.12Å; I169-A236 HydrophobicContact CG2-CB 4.45Å; I169-C239 HydrophobicContact CG2-CB 4.37Å |
| 170 | K | 92.9 | Very high | 87 | Confident | 47 Ų | 47 | 23.8 Ų | 23.8 | 20% | 0.204 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.4 | -41.3 | 174.5 | -78.7 | -178.3 | 168.5 | 175.7 | 0 | 112 | T120 V124 V166 G168 Q173 G174 E230 | T120-K170 HydrophobicContact CG2-CB 3.92Å; V124-K170 HydrophobicContact CG2-CB 4.01Å; V124-K170 WeakPolarHBondContact CG2-O 3.39Å; V166-K170 HydrophobicContact CG1-CD 4.21Å; V166-K170 WeakPolarHBondContact O-CB 3.21Å; V166-K170 WeakPolarHBondContact O-CG 3.33Å; V166-K170 PolarHBondContact O-N 2.77Å; G168-K170 PolarHBondContact O-N 2.83Å; K170-Q173 PolarHBondContact O-N 3.09Å; K170-G174 PolarHBondContact O-N 3.22Å; K170-E230 WeakPolarHBondContact CE-OE1 3.5Å; K170-E230 WeakPolarHBondContact CE-OE2 3.4Å; K170-E230 IonicContact NZ-OE1 3.18Å; K170-E230 PolarHBondContact NZ-OE1 3.41Å; K170-E230 IonicContact NZ-OE2 2.95Å; K170-E230 PolarHBondContact NZ-OE2 3.26Å |
| 171 | G | 91.3 | Very high | 85.6 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.5 | -48.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | A167 G168 I169 Q173 G174 V175 | A167-G171 PolarHBondContact O-N 2.92Å; G168-G171 PolarHBondContact O-N 3.39Å; G168-G171 VanDerWaalsContact O-N 3.17Å; I169-G171 VanDerWaalsContact C-N 3.29Å; I169-G171 PolarHBondContact O-N 3.11Å; G171-Q173 PolarHBondContact O-N 3.29Å; G171-G174 PolarHBondContact O-N 3.31Å; G171-V175 WeakPolarHBondContact O-CG2 3.25Å; G171-V175 PolarHBondContact O-N 3.02Å |
| 172 | L | 92.1 | Very high | 84.2 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.9 | -43.4 | 175.2 | -67.2 | -171.1 | 0 | 0 | 0 | 112.3 | F147 G168 I169 G174 V175 V176 L197 | F147-L172 HydrophobicContact CB-CD2 3.42Å; F147-L172 VanDerWaalsContact CB-CD2 3.42Å; F147-L172 HydrophobicContact CB-CG 3.84Å; F147-L172 HydrophobicContact CD2-CD2 4.49Å; F147-L172 HydrophobicContact CG-CD2 4.42Å; G168-L172 WeakPolarHBondContact O-CG 3.42Å; G168-L172 PolarHBondContact O-N 3.21Å; I169-L172 PolarHBondContact O-N 3.31Å; L172-G174 VanDerWaalsContact C-N 3.29Å; L172-G174 PolarHBondContact O-N 3.15Å; L172-V175 WeakPolarHBondContact O-CB 3.31Å; L172-V175 PolarHBondContact O-N 3.48Å; L172-V175 VanDerWaalsContact O-N 3.1Å; L172-V176 WeakPolarHBondContact O-CG2 3.28Å; L172-V176 PolarHBondContact O-N 3.48Å; L172-L197 HydrophobicContact CB-CD2 4.28Å; L172-L197 HydrophobicContact CD1-CD2 4.06Å; L172-L197 HydrophobicContact CD2-CD2 3.49Å; L172-L197 VanDerWaalsContact CD2-CD2 3.49Å; L172-L197 HydrophobicContact CG-CD2 4.14Å |
| 173 | Q | 89.9 | Confident | 82.4 | Confident | 25 Ų | 25 | 33.8 Ų | 33.8 | 12% | 0.117 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.7 | -41.1 | 175.5 | -171.1 | 175.6 | 34.8 | 0 | 0 | 111.8 | I169 K170 G171 V175 V176 R177 C239 E242 | I169-Q173 WeakPolarHBondContact O-CB 3.12Å; I169-Q173 PolarHBondContact O-N 3.45Å; K170-Q173 PolarHBondContact O-N 3.09Å; G171-Q173 PolarHBondContact O-N 3.29Å; Q173-V175 VanDerWaalsContact C-N 3.35Å; Q173-V175 PolarHBondContact O-N 3.44Å; Q173-V176 PolarHBondContact O-N 2.95Å; Q173-R177 WeakPolarHBondContact O-CG 3.26Å; Q173-R177 PolarHBondContact O-N 3.09Å; Q173-C239 WeakPolarHBondContact CA-SG 3.3Å; Q173-C239 HydrophobicContact CB-CB 4.29Å; Q173-C239 HydrophobicContact CG-CB 4.49Å; Q173-E242 WeakPolarHBondContact CG-OE2 3.42Å; Q173-E242 PolarHBondContact NE2-OE2 3.01Å |
| 174 | G | 87.6 | Confident | 80.7 | Confident | 2 Ų | 2 | 32.5 Ų | 32.5 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.5 | -41.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A127 K170 G171 L172 R177 K178 | A127-G174 VanDerWaalsContact CB-CA 3.44Å; A127-G174 WeakPolarHBondContact CB-O 3.41Å; K170-G174 PolarHBondContact O-N 3.22Å; G171-G174 PolarHBondContact O-N 3.31Å; L172-G174 VanDerWaalsContact C-N 3.29Å; L172-G174 PolarHBondContact O-N 3.15Å; G174-R177 PolarHBondContact O-N 2.78Å; G174-K178 PolarHBondContact O-N 3.5Å; G174-K178 VanDerWaalsContact O-N 3.15Å |
| 175 | V | 86.9 | Confident | 79.3 | Confident | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.7 | -47.6 | 175.9 | 177 | 0 | 0 | 0 | 0 | 110.2 | F123 Y140 F143 V144 F147 G171 L172 Q173 R177 K178 T179 I188 | F123-V175 HydrophobicContact CE1-CG2 3.65Å; F123-V175 HydrophobicContact CZ-CG2 3.66Å; Y140-V175 HydrophobicContact CD1-CG1 4.46Å; F143-V175 HydrophobicContact CB-CG2 4.25Å; V144-V175 HydrophobicContact CG2-CG1 3.83Å; F147-V175 HydrophobicContact CD2-CG2 4.06Å; F147-V175 HydrophobicContact CE2-CG2 4.16Å; G171-V175 WeakPolarHBondContact O-CG2 3.25Å; G171-V175 PolarHBondContact O-N 3.02Å; L172-V175 WeakPolarHBondContact O-CB 3.31Å; L172-V175 PolarHBondContact O-N 3.48Å; L172-V175 VanDerWaalsContact O-N 3.1Å; Q173-V175 VanDerWaalsContact C-N 3.35Å; Q173-V175 PolarHBondContact O-N 3.44Å; V175-R177 VanDerWaalsContact C-N 3.35Å; V175-R177 PolarHBondContact O-N 3.05Å; V175-K178 PolarHBondContact O-N 3.5Å; V175-T179 HydrophobicContact CG1-CG2 3.97Å; V175-T179 WeakPolarHBondContact O-CB 3.31Å; V175-T179 VanDerWaalsContact O-CG2 3.31Å; V175-T179 WeakPolarHBondContact O-CG2 3.26Å; V175-T179 PolarHBondContact O-N 3.06Å; V175-T179 PolarHBondContact O-OG1 3.31Å; V175-I188 HydrophobicContact CG1-CD1 4.48Å |
| 176 | V | 85.6 | Confident | 77.9 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.9 | -44.6 | 178.5 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | L172 Q173 K178 T179 V180 I188 M201 L243 | L172-V176 WeakPolarHBondContact O-CG2 3.28Å; L172-V176 PolarHBondContact O-N 3.48Å; Q173-V176 PolarHBondContact O-N 2.95Å; V176-K178 PolarHBondContact O-N 3.31Å; V176-T179 PolarHBondContact O-OG1 3.42Å; V176-V180 HydrophobicContact CG1-CG2 4.24Å; V176-V180 WeakPolarHBondContact O-CB 3.47Å; V176-V180 WeakPolarHBondContact O-CG2 3.11Å; V176-V180 PolarHBondContact O-N 2.96Å; V176-I188 HydrophobicContact CG2-CD1 4.27Å; V176-M201 HydrophobicContact CG2-CE 4.45Å; V176-L243 HydrophobicContact CG1-CB 3.96Å; V176-L243 HydrophobicContact CG1-CD1 3.97Å; V176-L243 HydrophobicContact CG2-CB 4.4Å; V176-L243 HydrophobicContact CG2-CD1 4.12Å |
| 177 | R | 82.8 | Confident | 77.1 | Confident | 71 Ų | 71 | 40 Ų | 40 | 27% | 0.268 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -59.7 | -45.4 | 177.9 | -78.7 | 177.9 | -172.9 | 174.6 | 7.2 | 113.2 | N128 Q173 G174 V175 N181 E242 | N128-R177 PolarHBondContact OD1-NH1 3Å; Q173-R177 WeakPolarHBondContact O-CG 3.26Å; Q173-R177 PolarHBondContact O-N 3.09Å; G174-R177 PolarHBondContact O-N 2.78Å; V175-R177 VanDerWaalsContact C-N 3.35Å; V175-R177 PolarHBondContact O-N 3.05Å; R177-N181 PolarHBondContact O-ND2 3.14Å; R177-E242 WeakPolarHBondContact CG-OE1 3.08Å; R177-E242 IonicContact CZ-OE2 3.68Å; R177-E242 IonicContact NE-OE1 2.63Å; R177-E242 PolarHBondContact NE-OE1 2.91Å; R177-E242 IonicContact NE-OE2 3.71Å; R177-E242 PolarHBondContact NE-OE2 3.28Å; R177-E242 IonicContact NH2-OE2 3.85Å; R177-E242 PolarHBondContact NH2-OE2 3.3Å |
| 178 | K | 77.6 | Confident | 76.6 | Confident | 28 Ų | 28 | 40.2 Ų | 40.2 | 12% | 0.122 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -75.2 | -35.5 | -177.1 | -82 | -65.8 | -166.3 | 175.1 | 0 | 113.9 | F126 A127 I129 T133 G174 V175 V176 | F126-K178 WeakPolarHBondContact O-CE 3.21Å; F126-K178 PolarHBondContact O-NZ 2.78Å; A127-K178 HydrophobicContact CB-CG 3.92Å; A127-K178 VanDerWaalsContact O-CE 3.29Å; A127-K178 WeakPolarHBondContact O-CE 2.95Å; I129-K178 PolarHBondContact O-NZ 3.09Å; T133-K178 PolarHBondContact OG1-NZ 3.23Å; G174-K178 PolarHBondContact O-N 3.5Å; G174-K178 VanDerWaalsContact O-N 3.15Å; V175-K178 PolarHBondContact O-N 3.5Å; V176-K178 PolarHBondContact O-N 3.31Å |
| 179 | T | 71.5 | Confident | 76.2 | Confident | 21 Ų | 21 | 40.3 Ų | 40.3 | 13% | 0.129 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -83.5 | -23.6 | -173.4 | 51 | 0 | 0 | 0 | 0 | 113.4 | Y140 V175 V176 I188 | Y140-T179 HydrophobicContact CD2-CG2 3.98Å; Y140-T179 HydrophobicContact CE2-CG2 4.16Å; Y140-T179 HydrophobicContact CG-CG2 4.37Å; V175-T179 HydrophobicContact CG1-CG2 3.97Å; V175-T179 WeakPolarHBondContact O-CB 3.31Å; V175-T179 VanDerWaalsContact O-CG2 3.31Å; V175-T179 WeakPolarHBondContact O-CG2 3.26Å; V175-T179 PolarHBondContact O-N 3.06Å; V175-T179 PolarHBondContact O-OG1 3.31Å; V176-T179 PolarHBondContact O-OG1 3.42Å; T179-I188 HydrophobicContact CG2-CD1 4.45Å; T179-I188 WeakPolarHBondContact OG1-CD1 3.4Å |
| 180 | V | 60.4 | Low | 75.9 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -96.4 | -6.2 | -176.5 | -162.3 | 0 | 0 | 0 | 0 | 112.8 | V176 Q185 I188 R246 | V176-V180 HydrophobicContact CG1-CG2 4.24Å; V176-V180 WeakPolarHBondContact O-CB 3.47Å; V176-V180 WeakPolarHBondContact O-CG2 3.11Å; V176-V180 PolarHBondContact O-N 2.96Å; V180-Q185 VanDerWaalsContact O-CD 3.31Å; V180-Q185 WeakPolarHBondContact O-CG 3.16Å; V180-Q185 PolarHBondContact O-NE2 3.21Å; V180-I188 HydrophobicContact CG2-CG2 4.02Å; V180-R246 HydrophobicContact CB-CB 4.46Å; V180-R246 HydrophobicContact CG1-CB 3.38Å; V180-R246 HydrophobicContact CG1-CG 3.99Å |
| 181 | N | 58.9 | Low | 75.6 | Confident | 114 Ų | 114 | 44.7 Ų | 44.7 | 61% | 0.61 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -96.7 | -1.7 | 177.2 | -71 | -9.5 | 0 | 0 | 0 | 114.2 | R177 | R177-N181 PolarHBondContact O-ND2 3.14Š|
| 182 | D | 57.6 | Low | 75.4 | Confident | 39 Ų | 39 | 49.5 Ų | 49.5 | 21% | 0.209 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -110.4 | 162 | -170.4 | -164.8 | -1.7 | 0 | 0 | 0 | 112.1 | S135 L184 Q185 | S135-D182 PolarHBondContact OG-OD2 2.88Å; D182-L184 PolarHBondContact O-N 3.36Å; D182-Q185 WeakPolarHBondContact O-CG 3.27Å; D182-Q185 PolarHBondContact O-N 2.68Å; D182-Q185 VanDerWaalsContact O-N 3.15Å |
| 183 | E | 51.5 | Low | 75.3 | Confident | 196 Ų | 196 | 50 Ų | 50 | 92% | 0.916 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -10.4 | -179.5 | -68.3 | -176.6 | 159.7 | 0 | 0 | 114.3 | ||
| 184 | L | 54.5 | Low | 75.3 | Confident | 80 Ų | 80 | 48.9 Ų | 48.9 | 42% | 0.419 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | 23.7 | -178.2 | -64.7 | 172.8 | 0 | 0 | 0 | 114.4 | D182 A186 I187 | D182-L184 PolarHBondContact O-N 3.36Å; L184-A186 PolarHBondContact O-N 3.43Å; L184-I187 HydrophobicContact CB-CD1 4.19Å; L184-I187 HydrophobicContact CD2-CD1 4.31Å; L184-I187 PolarHBondContact O-N 2.59Å; L184-I187 VanDerWaalsContact O-N 3.11Å |
| 185 | Q | 60.7 | Low | 75.5 | Confident | 91 Ų | 91 | 53 Ų | 53 | 43% | 0.425 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.6 | -27.9 | 179.5 | -54.9 | -174.2 | -23.9 | 0 | 0 | 114.3 | V180 D182 I187 I188 | V180-Q185 VanDerWaalsContact O-CD 3.31Å; V180-Q185 WeakPolarHBondContact O-CG 3.16Å; V180-Q185 PolarHBondContact O-NE2 3.21Å; D182-Q185 WeakPolarHBondContact O-CG 3.27Å; D182-Q185 PolarHBondContact O-N 2.68Å; D182-Q185 VanDerWaalsContact O-N 3.15Å; Q185-I187 VanDerWaalsContact C-N 3.33Å; Q185-I187 PolarHBondContact O-N 3.06Å; Q185-I188 WeakPolarHBondContact O-CG2 3.31Å |
| 186 | A | 62.7 | Low | 75.8 | Confident | 67 Ų | 67 | 57.1 Ų | 57.1 | 55% | 0.554 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -29.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | L184 W189 | L184-A186 PolarHBondContact O-N 3.43Å; A186-W189 PolarHBondContact O-N 3.33Å |
| 187 | I | 74.9 | Confident | 76.2 | Confident | 50 Ų | 50 | 57.1 Ų | 57.1 | 26% | 0.256 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -41 | -169.8 | -58.9 | 175.4 | 0 | 0 | 0 | 111.6 | L184 Q185 W189 E190 H193 | L184-I187 HydrophobicContact CB-CD1 4.19Å; L184-I187 HydrophobicContact CD2-CD1 4.31Å; L184-I187 PolarHBondContact O-N 2.59Å; L184-I187 VanDerWaalsContact O-N 3.11Å; Q185-I187 VanDerWaalsContact C-N 3.33Å; Q185-I187 PolarHBondContact O-N 3.06Å; I187-W189 PolarHBondContact O-N 2.86Å; I187-W189 VanDerWaalsContact O-N 3.15Å; I187-E190 VanDerWaalsContact O-CB 3.25Å; I187-E190 WeakPolarHBondContact O-CB 3.38Å; I187-E190 VanDerWaalsContact O-CG 3.26Å; I187-E190 WeakPolarHBondContact O-CG 3.37Å; I187-E190 PolarHBondContact O-N 3.49Å; I187-H193 PolarHBondContact O-CD2 3.48Å; I187-H193 VanDerWaalsContact O-CD2 3.31Å |
| 188 | I | 81.7 | Confident | 76.8 | Confident | 9 Ų | 9 | 53.8 Ų | 53.8 | 5% | 0.046 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -28.8 | 179.5 | -176.6 | 163.3 | 0 | 0 | 0 | 112 | V175 V176 T179 V180 Q185 E190 H193 M194 L197 | V175-I188 HydrophobicContact CG1-CD1 4.48Å; V176-I188 HydrophobicContact CG2-CD1 4.27Å; T179-I188 HydrophobicContact CG2-CD1 4.45Å; T179-I188 WeakPolarHBondContact OG1-CD1 3.4Å; V180-I188 HydrophobicContact CG2-CG2 4.02Å; Q185-I188 WeakPolarHBondContact O-CG2 3.31Å; I188-E190 PolarHBondContact O-N 2.8Å; I188-H193 WeakPolarHBondContact O-CB 3.21Å; I188-M194 HydrophobicContact CD1-CE 4.43Å; I188-M194 HydrophobicContact CG1-CE 3.65Å; I188-M194 WeakPolarHBondContact O-CE 3.35Å; I188-L197 HydrophobicContact CD1-CD1 3.88Å; I188-L197 HydrophobicContact CG1-CD1 3.94Å |
| 189 | W | 85.3 | Confident | 77.6 | Confident | 3 Ų | 3 | 53.6 Ų | 53.6 | 1% | 0.011 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | 1.1 | 178 | -62 | 104.1 | 0 | 0 | 0 | 113.9 | A186 I187 M194 L243 A247 N251 N254 A255 | A186-W189 PolarHBondContact O-N 3.33Å; I187-W189 PolarHBondContact O-N 2.86Å; I187-W189 VanDerWaalsContact O-N 3.15Å; W189-M194 HydrophobicContact CD2-CE 4.47Å; W189-M194 HydrophobicContact CE3-CE 4.03Å; W189-M194 HydrophobicContact CE3-CG 4.29Å; W189-M194 HydrophobicContact CE3-SD 3.64Å; W189-M194 HydrophobicContact CZ3-CE 4.35Å; W189-M194 HydrophobicContact CZ3-SD 3.83Å; W189-L243 HydrophobicContact CH2-CD1 3.67Å; W189-L243 HydrophobicContact CH2-CG 3.92Å; W189-L243 WeakPolarHBondContact CH2-O 3.49Å; W189-L243 HydrophobicContact CZ2-CD1 3.98Å; W189-L243 HydrophobicContact CZ3-CD1 4.16Å; W189-L243 HydrophobicContact CZ3-CG 4.31Å; W189-A247 HydrophobicContact CH2-CB 3.48Å; W189-A247 VanDerWaalsContact CH2-CB 3.48Å; W189-A247 HydrophobicContact CZ2-CB 3.82Å; W189-A247 HydrophobicContact CZ3-CB 4.11Å; W189-N251 HydrophobicContact CB-CB 3.81Å; W189-N251 HydrophobicContact CD2-CB 3.6Å; W189-N251 HydrophobicContact CE3-CB 3.97Å; W189-N251 HydrophobicContact CG-CB 3.52Å; W189-N251 VanDerWaalsContact CG-CG 3.42Å; W189-N251 PolarHBondContact NE1-ND2 2.99Å; W189-N254 WeakPolarHBondContact O-CB 3.42Å; W189-N254 PolarHBondContact O-ND2 3.38Å; W189-A255 HydrophobicContact CE3-CB 4.19Å; W189-A255 HydrophobicContact CH2-CB 4.5Å; W189-A255 HydrophobicContact CZ3-CB 3.58Å |
| 190 | E | 87.1 | Confident | 78.7 | Confident | 77 Ų | 77 | 52.7 Ų | 52.7 | 36% | 0.36 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -63.3 | 142.7 | 171.8 | -70.5 | 177.5 | -171 | 0 | 0 | 110.9 | I187 I188 Q192 H193 M194 | I187-E190 VanDerWaalsContact O-CB 3.25Å; I187-E190 WeakPolarHBondContact O-CB 3.38Å; I187-E190 VanDerWaalsContact O-CG 3.26Å; I187-E190 WeakPolarHBondContact O-CG 3.37Å; I187-E190 PolarHBondContact O-N 3.49Å; I188-E190 PolarHBondContact O-N 2.8Å; E190-Q192 HydrophobicContact CB-CG 4.04Å; E190-Q192 PolarHBondContact O-N 3.28Å; E190-Q192 VanDerWaalsContact O-N 3.07Å; E190-Q192 PolarHBondContact OE2-NE2 3.39Å; E190-H193 PolarHBondContact O-N 3.43Å; E190-M194 PolarHBondContact O-N 2.97Å |
| 191 | P | 87.1 | Confident | 80.3 | Confident | 64 Ų | 64 | 52.7 Ų | 52.7 | 42% | 0.416 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -51.9 | -37.1 | -177.7 | -28.7 | 35.2 | 0 | 0 | 0 | 113.6 | H193 M194 D195 | P191-H193 PolarHBondContact O-N 3.17Å; P191-H193 VanDerWaalsContact O-N 3.09Å; P191-M194 PolarHBondContact O-N 2.88Å; P191-D195 WeakPolarHBondContact O-CB 3.19Å; P191-D195 PolarHBondContact O-N 3Å |
| 192 | Q | 87.4 | Confident | 82 | Confident | 100 Ų | 100 | 47.3 Ų | 47.3 | 47% | 0.467 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -57 | -27.8 | -179.6 | 66.5 | 179.8 | 5.9 | 0 | 0 | 114.8 | E190 | E190-Q192 HydrophobicContact CB-CG 4.04Å; E190-Q192 PolarHBondContact O-N 3.28Å; E190-Q192 VanDerWaalsContact O-N 3.07Å; E190-Q192 PolarHBondContact OE2-NE2 3.39Å |
| 193 | H | 89 | Confident | 83.7 | Confident | 12 Ų | 12 | 47.5 Ų | 47.5 | 6% | 0.056 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -96.8 | -45.8 | 176.6 | -56.4 | -50.6 | 0 | 0 | 0 | 111.3 | D141 I187 I188 E190 P191 D195 K196 L197 | D141-H193 IonicContact OD1-CE1 3.4Å; D141-H193 PolarHBondContact OD1-CE1 3.31Å; D141-H193 IonicContact OD1-NE2 3.48Å; I187-H193 PolarHBondContact O-CD2 3.48Å; I187-H193 VanDerWaalsContact O-CD2 3.31Å; I188-H193 WeakPolarHBondContact O-CB 3.21Å; E190-H193 PolarHBondContact O-N 3.43Å; P191-H193 PolarHBondContact O-N 3.17Å; P191-H193 VanDerWaalsContact O-N 3.09Å; H193-D195 VanDerWaalsContact C-N 3.28Å; H193-D195 PolarHBondContact O-N 3.3Å; H193-K196 PolarHBondContact O-N 3.26Å; H193-L197 HydrophobicContact CB-CD1 4.29Å; H193-L197 WeakPolarHBondContact O-CG 3.36Å; H193-L197 PolarHBondContact O-N 3.08Å |
| 194 | M | 90.9 | Very high | 85.6 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.7 | -36.6 | -179 | -72.1 | -63.9 | 118.7 | 0 | 0 | 112.6 | I188 W189 E190 P191 K196 L197 I198 L243 N254 P258 | I188-M194 HydrophobicContact CD1-CE 4.43Å; I188-M194 HydrophobicContact CG1-CE 3.65Å; I188-M194 WeakPolarHBondContact O-CE 3.35Å; W189-M194 HydrophobicContact CD2-CE 4.47Å; W189-M194 HydrophobicContact CE3-CE 4.03Å; W189-M194 HydrophobicContact CE3-CG 4.29Å; W189-M194 HydrophobicContact CE3-SD 3.64Å; W189-M194 HydrophobicContact CZ3-CE 4.35Å; W189-M194 HydrophobicContact CZ3-SD 3.83Å; E190-M194 PolarHBondContact O-N 2.97Å; P191-M194 PolarHBondContact O-N 2.88Å; M194-K196 PolarHBondContact O-N 3.33Å; M194-K196 VanDerWaalsContact O-N 3.13Å; M194-L197 HydrophobicContact CE-CD1 3.57Å; M194-L197 PolarHBondContact O-N 3.45Å; M194-I198 WeakPolarHBondContact O-CB 3.26Å; M194-I198 WeakPolarHBondContact O-CG1 3.29Å; M194-I198 PolarHBondContact O-N 2.83Å; M194-I198 VanDerWaalsContact O-N 3.12Å; M194-I198 HydrophobicContact SD-CD1 4.45Å; M194-I198 HydrophobicContact SD-CG1 4.16Å; M194-L243 HydrophobicContact CE-CD1 4.05Å; M194-L243 HydrophobicContact CE-CD2 4.19Å; M194-L243 HydrophobicContact SD-CD2 4.24Å; M194-N254 WeakPolarHBondContact CB-O 3.01Å; M194-N254 HydrophobicContact CG-CB 4.45Å; M194-P258 HydrophobicContact CB-CG 4.08Å |
| 195 | D | 92.2 | Very high | 87.3 | Confident | 89 Ų | 89 | 35.2 Ų | 35.2 | 48% | 0.476 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -68 | -7.9 | 176.7 | -67.5 | -22.2 | 0 | 0 | 0 | 113.2 | P191 H193 P199 | P191-D195 WeakPolarHBondContact O-CB 3.19Å; P191-D195 PolarHBondContact O-N 3Å; H193-D195 VanDerWaalsContact C-N 3.28Å; H193-D195 PolarHBondContact O-N 3.3Å; D195-P199 WeakPolarHBondContact O-CG 3.27Å |
| 196 | K | 92.8 | Very high | 88.5 | Confident | 88 Ų | 88 | 33.9 Ų | 33.9 | 38% | 0.383 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -109.5 | -45.4 | 173.4 | -65 | 175.6 | 179.7 | 169.4 | 0 | 111.9 | V144 S145 H193 M194 S200 | V144-K196 HydrophobicContact CG1-CB 4.14Å; V144-K196 HydrophobicContact CG1-CD 4.34Å; S145-K196 PolarHBondContact OG-NZ 3.46Å; H193-K196 PolarHBondContact O-N 3.26Å; M194-K196 PolarHBondContact O-N 3.33Å; M194-K196 VanDerWaalsContact O-N 3.13Å; K196-S200 VanDerWaalsContact O-CB 3.27Å; K196-S200 WeakPolarHBondContact O-CB 3.48Å; K196-S200 PolarHBondContact O-N 2.95Å; K196-S200 PolarHBondContact O-OG 2.83Å |
| 197 | L | 93.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.2 | -53.7 | -177.1 | -71.7 | 173.8 | 0 | 0 | 0 | 111.9 | V144 L172 I188 H193 M194 S200 M201 | V144-L197 HydrophobicContact CG1-CD2 3.99Å; V144-L197 HydrophobicContact CG1-CG 3.99Å; V144-L197 HydrophobicContact CG2-CD2 4.43Å; L172-L197 HydrophobicContact CB-CD2 4.28Å; L172-L197 HydrophobicContact CD1-CD2 4.06Å; L172-L197 HydrophobicContact CD2-CD2 3.49Å; L172-L197 VanDerWaalsContact CD2-CD2 3.49Å; L172-L197 HydrophobicContact CG-CD2 4.14Å; I188-L197 HydrophobicContact CD1-CD1 3.88Å; I188-L197 HydrophobicContact CG1-CD1 3.94Å; H193-L197 HydrophobicContact CB-CD1 4.29Å; H193-L197 WeakPolarHBondContact O-CG 3.36Å; H193-L197 PolarHBondContact O-N 3.08Å; M194-L197 HydrophobicContact CE-CD1 3.57Å; M194-L197 PolarHBondContact O-N 3.45Å; L197-S200 PolarHBondContact O-N 2.99Å; L197-M201 HydrophobicContact CB-CE 4.35Å; L197-M201 WeakPolarHBondContact O-CG 3.5Å; L197-M201 PolarHBondContact O-N 3.47Å; L197-M201 VanDerWaalsContact O-N 3.16Å |
| 198 | I | 95.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.3 | -51.4 | -173.6 | -59.1 | -74.9 | 0 | 0 | 0 | 110.5 | M194 S200 M201 L202 F240 L243 P258 V259 | M194-I198 WeakPolarHBondContact O-CB 3.26Å; M194-I198 WeakPolarHBondContact O-CG1 3.29Å; M194-I198 PolarHBondContact O-N 2.83Å; M194-I198 VanDerWaalsContact O-N 3.12Å; M194-I198 HydrophobicContact SD-CD1 4.45Å; M194-I198 HydrophobicContact SD-CG1 4.16Å; I198-S200 VanDerWaalsContact C-N 3.26Å; I198-S200 PolarHBondContact O-N 3.47Å; I198-M201 PolarHBondContact O-N 3.27Å; I198-M201 VanDerWaalsContact O-N 3.16Å; I198-L202 HydrophobicContact CG2-CD1 3.82Å; I198-L202 HydrophobicContact CG2-CG 4.22Å; I198-L202 WeakPolarHBondContact O-CG 3.44Å; I198-L202 PolarHBondContact O-N 2.89Å; I198-F240 HydrophobicContact CD1-CD2 3.99Å; I198-F240 HydrophobicContact CD1-CE2 3.69Å; I198-F240 HydrophobicContact CG2-CE2 4.18Å; I198-L243 HydrophobicContact CD1-CD2 3.66Å; I198-P258 HydrophobicContact CB-CB 3.9Å; I198-P258 HydrophobicContact CG1-CB 4.32Å; I198-P258 HydrophobicContact CG2-CB 4.02Å; I198-V259 HydrophobicContact CG2-CB 4.41Å; I198-V259 HydrophobicContact CG2-CG2 3.47Å; I198-V259 VanDerWaalsContact CG2-CG2 3.47Å |
| 199 | P | 94.7 | Very high | 86.1 | Confident | 25 Ų | 25 | 36.8 Ų | 36.8 | 16% | 0.162 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.6 | -33.5 | 177.8 | -26.7 | 39.1 | 0 | 0 | 0 | 113.8 | D195 L202 F203 | D195-P199 WeakPolarHBondContact O-CG 3.27Å; P199-L202 PolarHBondContact O-N 3.42Å; P199-F203 VanDerWaalsContact O-CB 3.25Å; P199-F203 WeakPolarHBondContact O-CB 3.2Å; P199-F203 PolarHBondContact O-N 3.17Å |
| 200 | S | 93.9 | Very high | 84.2 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.007 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.3 | -40.2 | 176.9 | -62.7 | 0 | 0 | 0 | 0 | 112.3 | S148 H152 K196 L197 I198 N204 | S148-S200 WeakPolarHBondContact CA-OG 3.41Å; S148-S200 WeakPolarHBondContact CB-OG 3.4Å; S148-S200 PolarHBondContact OG-OG 2.86Å; H152-S200 PolarHBondContact NE2-OG 2.87Å; K196-S200 VanDerWaalsContact O-CB 3.27Å; K196-S200 WeakPolarHBondContact O-CB 3.48Å; K196-S200 PolarHBondContact O-N 2.95Å; K196-S200 PolarHBondContact O-OG 2.83Å; L197-S200 PolarHBondContact O-N 2.99Å; I198-S200 VanDerWaalsContact C-N 3.26Å; I198-S200 PolarHBondContact O-N 3.47Å; S200-N204 PolarHBondContact O-N 3.29Å; S200-N204 PolarHBondContact O-ND2 3.26Å |
| 201 | M | 94.9 | Very high | 82.2 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.7 | -48.5 | 175.6 | -64.6 | 172.9 | -162 | 0 | 0 | 110.7 | V176 L197 I198 F203 N204 M205 C239 F240 L243 | V176-M201 HydrophobicContact CG2-CE 4.45Å; L197-M201 HydrophobicContact CB-CE 4.35Å; L197-M201 WeakPolarHBondContact O-CG 3.5Å; L197-M201 PolarHBondContact O-N 3.47Å; L197-M201 VanDerWaalsContact O-N 3.16Å; I198-M201 PolarHBondContact O-N 3.27Å; I198-M201 VanDerWaalsContact O-N 3.16Å; M201-F203 VanDerWaalsContact C-N 3.34Å; M201-F203 PolarHBondContact O-N 2.75Å; M201-N204 PolarHBondContact O-N 2.98Å; M201-N204 VanDerWaalsContact O-N 3.16Å; M201-M205 VanDerWaalsContact O-CG 3.32Å; M201-M205 WeakPolarHBondContact O-CG 3.27Å; M201-M205 PolarHBondContact O-N 3.31Å; M201-C239 HydrophobicContact CE-CB 4.34Å; M201-C239 WeakPolarHBondContact CE-SG 3.35Å; M201-C239 HydrophobicContact SD-CB 4.29Å; M201-F240 HydrophobicContact CB-CB 4.43Å; M201-F240 VanDerWaalsContact SD-CA 3.57Å; M201-F240 HydrophobicContact SD-CB 3.86Å; M201-F240 HydrophobicContact SD-CD2 4.15Å; M201-L243 HydrophobicContact CE-CD2 4.16Å |
| 202 | L | 94.6 | Very high | 80 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.9 | -42.9 | -179.1 | -65.3 | 178.3 | 0 | 0 | 0 | 112.3 | I198 P199 N204 M205 Q206 F240 V259 H262 F274 | I198-L202 HydrophobicContact CG2-CD1 3.82Å; I198-L202 HydrophobicContact CG2-CG 4.22Å; I198-L202 WeakPolarHBondContact O-CG 3.44Å; I198-L202 PolarHBondContact O-N 2.89Å; P199-L202 PolarHBondContact O-N 3.42Å; L202-N204 VanDerWaalsContact C-N 3.3Å; L202-N204 PolarHBondContact O-N 3.06Å; L202-M205 HydrophobicContact CD2-CE 4.47Å; L202-M205 HydrophobicContact CD2-SD 4.25Å; L202-M205 PolarHBondContact O-N 3.33Å; L202-M205 VanDerWaalsContact O-N 3.13Å; L202-Q206 PolarHBondContact O-N 2.85Å; L202-F240 HydrophobicContact CD2-CE1 4.48Å; L202-F240 HydrophobicContact CD2-CZ 4.29Å; L202-V259 HydrophobicContact CD1-CB 4.23Å; L202-V259 HydrophobicContact CD1-CG1 4Å; L202-V259 HydrophobicContact CD1-CG2 4.28Å; L202-H262 HydrophobicContact CD1-CB 3.85Å; L202-F274 HydrophobicContact CB-CZ 4.38Å; L202-F274 HydrophobicContact CD2-CZ 4.36Å; L202-F274 WeakPolarHBondContact O-CZ 3.44Å |
| 203 | F | 93.3 | Very high | 77.7 | Confident | 44 Ų | 44 | 47.3 Ų | 47.3 | 19% | 0.193 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.2 | -42.3 | 176.4 | 177.8 | -99.4 | 0 | 0 | 0 | 112.5 | H152 P199 M201 Q206 | H152-F203 VanDerWaalsContact CE1-CB 3.5Å; H152-F203 WeakPolarHBondContact CE1-CB 3.48Å; H152-F203 AromaticContact CE1-CD1 3.78Å; H152-F203 AromaticContact CE1-CG 3.51Å; H152-F203 AromaticContact ND1-CD1 3.28Å; H152-F203 VanDerWaalsContact ND1-CD1 3.28Å; H152-F203 WeakPolarHBondContact ND1-CD1 3.27Å; H152-F203 AromaticContact ND1-CD2 3.88Å; H152-F203 AromaticContact ND1-CE1 3.67Å; H152-F203 AromaticContact ND1-CG 3.4Å; H152-F203 WeakPolarHBondContact ND1-CG 3.34Å; P199-F203 VanDerWaalsContact O-CB 3.25Å; P199-F203 WeakPolarHBondContact O-CB 3.2Å; P199-F203 PolarHBondContact O-N 3.17Å; M201-F203 VanDerWaalsContact C-N 3.34Å; M201-F203 PolarHBondContact O-N 2.75Å; F203-Q206 PolarHBondContact O-N 3.23Å |
| 204 | N | 91.8 | Very high | 75.4 | Confident | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.011 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -78 | -22.9 | 178.9 | -75.9 | -86.3 | 0 | 0 | 0 | 113.3 | C151 R165 I169 S200 M201 L202 A233 A236 | C151-N204 WeakPolarHBondContact CB-ND2 3.3Å; C151-N204 PolarHBondContact O-ND2 3.07Å; R165-N204 WeakPolarHBondContact CD-OD1 3.47Å; I169-N204 HydrophobicContact CD1-CB 3.86Å; S200-N204 PolarHBondContact O-N 3.29Å; S200-N204 PolarHBondContact O-ND2 3.26Å; M201-N204 PolarHBondContact O-N 2.98Å; M201-N204 VanDerWaalsContact O-N 3.16Å; L202-N204 VanDerWaalsContact C-N 3.3Å; L202-N204 PolarHBondContact O-N 3.06Å; N204-A233 WeakPolarHBondContact O-CA 3.48Å; N204-A233 WeakPolarHBondContact O-CB 3.41Å; N204-A236 HydrophobicContact CB-CB 3.9Å |
| 205 | M | 90.6 | Very high | 72.9 | Confident | 16 Ų | 16 | 61 Ų | 61 | 8% | 0.079 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -73.6 | -32.7 | 172 | -69.6 | 167.1 | 54.6 | 0 | 0 | 112 | M201 L202 A236 E237 F240 F274 I281 | M201-M205 VanDerWaalsContact O-CG 3.32Å; M201-M205 WeakPolarHBondContact O-CG 3.27Å; M201-M205 PolarHBondContact O-N 3.31Å; L202-M205 HydrophobicContact CD2-CE 4.47Å; L202-M205 HydrophobicContact CD2-SD 4.25Å; L202-M205 PolarHBondContact O-N 3.33Å; L202-M205 VanDerWaalsContact O-N 3.13Å; M205-A236 HydrophobicContact CG-CB 3.75Å; M205-E237 HydrophobicContact CG-CB 4.45Å; M205-E237 HydrophobicContact SD-CB 4.45Å; M205-F240 HydrophobicContact CE-CD1 4.38Å; M205-F240 HydrophobicContact SD-CB 4.34Å; M205-F240 HydrophobicContact SD-CD1 4.25Å; M205-F240 HydrophobicContact SD-CG 4.48Å; M205-F274 HydrophobicContact CB-CE2 3.88Å; M205-F274 HydrophobicContact CB-CZ 4.11Å; M205-I281 HydrophobicContact CE-CD1 3.39Å |
| 206 | Q | 84.6 | Confident | 70 | Confident | 63 Ų | 63 | 59.8 Ų | 59.8 | 29% | 0.294 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -68.4 | -37.5 | -179.6 | -173.8 | -177.2 | -11.7 | 0 | 0 | 112.6 | L202 F203 A208 F274 | L202-Q206 PolarHBondContact O-N 2.85Å; F203-Q206 PolarHBondContact O-N 3.23Å; Q206-A208 PolarHBondContact O-N 3.06Å; Q206-F274 HydrophobicContact CB-CE2 4.06Å; Q206-F274 HydrophobicContact CB-CZ 4.03Å |
| 207 | D | 65.7 | Low | 67 | Low | 52 Ų | 52 | 63.5 Ų | 63.5 | 28% | 0.278 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -0.9 | -176.8 | -80.2 | -6.6 | 0 | 0 | 0 | 114.3 | R165 | R165-D207 IonicContact CZ-OD2 3.07Å; R165-D207 IonicContact NH1-OD2 3.67Å; R165-D207 PolarHBondContact NH1-OD2 3.01Å; R165-D207 IonicContact NH2-OD2 3.2Å |
| 208 | A | 58.3 | Low | 64.5 | Low | 29 Ų | 29 | 69.7 Ų | 69.7 | 24% | 0.24 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -37.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q206 D210 L211 A233 | Q206-A208 PolarHBondContact O-N 3.06Å; A208-D210 PolarHBondContact O-N 3.4Å; A208-L211 PolarHBondContact O-N 3.49Å; A208-A233 HydrophobicContact CB-CB 3.63Å |
| 209 | D | 46.7 | Very low | 61.4 | Low | 105 Ų | 105 | 74.5 Ų | 74.5 | 56% | 0.561 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -76.4 | -22.7 | -172.4 | -73.1 | -24.9 | 0 | 0 | 0 | 113.1 | L211 S213 | D209-L211 VanDerWaalsContact C-N 3.32Å; D209-S213 PolarHBondContact O-N 3.12Å; D209-S213 PolarHBondContact O-OG 3.44Å |
| 210 | D | 45.4 | Very low | 58.3 | Low | 121 Ų | 121 | 79.3 Ų | 79.3 | 65% | 0.647 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -75.6 | -20.3 | 176.6 | -105.8 | 1.4 | 0 | 0 | 0 | 112.8 | A208 | A208-D210 PolarHBondContact O-N 3.4Å |
| 211 | L | 44.9 | Very low | 55.6 | Low | 119 Ų | 119 | 85.5 Ų | 85.5 | 62% | 0.623 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -84.3 | -40.2 | 178.4 | -73.1 | 164.7 | 0 | 0 | 0 | 111.8 | A208 D209 | A208-L211 PolarHBondContact O-N 3.49Å; D209-L211 VanDerWaalsContact C-N 3.32Å |
| 212 | D | 40.9 | Very low | 52.4 | Low | 134 Ų | 134 | 91.1 Ų | 91.1 | 72% | 0.717 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -73.3 | -29.9 | 179.7 | -99.6 | -9.7 | 0 | 0 | 0 | 112.9 | R214 A215 | D212-R214 VanDerWaalsContact C-N 3.27Å; D212-R214 PolarHBondContact O-N 3.31Å; D212-A215 PolarHBondContact O-N 3.3Å |
| 213 | S | 38.8 | Very low | 49.2 | Very low | 91 Ų | 91 | 94.3 Ų | 94.3 | 64% | 0.636 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | -13 | 178.6 | 45.5 | 0 | 0 | 0 | 0 | 114.2 | D209 | D209-S213 PolarHBondContact O-N 3.12Å; D209-S213 PolarHBondContact O-OG 3.44Å |
| 214 | R | 40.1 | Very low | 46.3 | Very low | 229 Ų | 229 | 98.5 Ų | 98.5 | 86% | 0.864 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | -15.3 | 171.5 | -75.1 | -175.8 | 175.9 | 175.6 | 2.6 | 114.2 | D212 G216 | D212-R214 VanDerWaalsContact C-N 3.27Å; D212-R214 PolarHBondContact O-N 3.31Å; R214-G216 VanDerWaalsContact C-N 3.26Å; R214-G216 PolarHBondContact O-N 3.46Å |
| 215 | A | 37.8 | Very low | 43.1 | Very low | 71 Ų | 71 | 101.9 Ų | 101.9 | 59% | 0.587 | 64% | 0.635 | S | S | * | * | trans | -89.6 | 45.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | D212 H217 | D212-A215 PolarHBondContact O-N 3.3Å; A215-H217 PolarHBondContact O-N 2.87Å | ||
| 216 | G | 32.1 | Very low | 40.6 | Very low | 64 Ų | 64 | 110.5 Ų | 110.5 | 66% | 0.66 | 68% | 0.675 | S | S | * | * | trans | -79 | 58.8 | 172 | 0 | 0 | 0 | 0 | 0 | 113 | R214 | R214-G216 VanDerWaalsContact C-N 3.26Å; R214-G216 PolarHBondContact O-N 3.46Å | ||
| 217 | H | 30.4 | Very low | 38.2 | Very low | 166 Ų | 166 | 114.9 Ų | 114.9 | 77% | 0.769 | 70% | 0.7 | S | S | * | * | trans | -159 | 123.7 | 161.4 | -95.8 | -60.4 | 0 | 0 | 0 | 111.9 | A215 S219 | A215-H217 PolarHBondContact O-N 2.87Å; H217-S219 PolarHBondContact O-N 2.89Å | ||
| 218 | P | 40.8 | Very low | 37.1 | Very low | 129 Ų | 129 | 115.6 Ų | 115.6 | 84% | 0.838 | 72% | 0.72 | S | S | * | * | trans | -78 | 109.4 | 175.8 | 30.4 | -29.1 | 0 | 0 | 0 | 109.4 | ||||
| 219 | S | 28.8 | Very low | 36.8 | Very low | 102 Ų | 102 | 122.9 Ų | 122.9 | 71% | 0.713 | 75% | 0.75 | S | S | * | * | trans | -118.9 | 106.6 | 170.4 | -53.2 | 0 | 0 | 0 | 0 | 109.9 | H217 | H217-S219 PolarHBondContact O-N 2.89Š| ||
| 220 | T | 29.9 | Very low | 37.9 | Very low | 125 Ų | 125 | 122.1 Ų | 122.1 | 77% | 0.767 | 74% | 0.742 | S | S | * | * | trans | 20.4 | 135.9 | 152.4 | 34.8 | 0 | 0 | 0 | 0 | 121.4 | S222 | T220-S222 PolarHBondContact O-N 3.29Š| ||
| 221 | P | 36.7 | Very low | 39.7 | Very low | 132 Ų | 132 | 120.2 Ų | 120.2 | 86% | 0.857 | 73% | 0.732 | S | S | * | * | trans | -76.4 | 117.7 | 179.7 | 32.9 | -31 | 0 | 0 | 0 | 110.4 | ||||
| 222 | S | 28.9 | Very low | 41.7 | Very low | 120 Ų | 120 | 115.6 Ų | 115.6 | 84% | 0.839 | 71% | 0.71 | S | S | * | * | trans | -109.1 | 113.6 | 166.5 | -58.6 | 0 | 0 | 0 | 0 | 108.1 | T220 | T220-S222 PolarHBondContact O-N 3.29Š| ||
| 223 | G | 27.1 | Very low | 44 | Very low | 67 Ų | 67 | 109.7 Ų | 109.7 | 69% | 0.691 | 68% | 0.679 | S | S | * | * | trans | -80.2 | 166.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 224 | S | 31.1 | Very low | 46.5 | Very low | 132 Ų | 132 | 107.3 Ų | 107.3 | 92% | 0.923 | 67% | 0.665 | S | S | * | * | trans | 74 | 87.8 | 163.1 | 60.7 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 225 | G | 26.6 | Very low | 48.9 | Very low | 73 Ų | 73 | 97.8 Ų | 97.8 | 75% | 0.753 | 63% | 0.631 | S | S | * | * | trans | -161.3 | 114.5 | 153.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | D227 | G225-D227 PolarHBondContact O-N 2.97Å; G225-D227 VanDerWaalsContact O-N 3.16Å | ||
| 226 | Q | 36.9 | Very low | 51.6 | Low | 196 Ų | 196 | 94.4 Ų | 94.4 | 92% | 0.916 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -68.7 | 103.1 | 172.3 | -78.7 | 170.4 | -25 | 0 | 0 | 108.9 | ||
| 227 | D | 35.3 | Very low | 54.5 | Low | 155 Ų | 155 | 94.3 Ų | 94.3 | 83% | 0.829 | 59% | 0.586 | S | S | * | * | trans | 163.4 | 85.9 | 148.9 | -88.7 | -14.3 | 0 | 0 | 0 | 104.8 | G225 E229 | G225-D227 PolarHBondContact O-N 2.97Å; G225-D227 VanDerWaalsContact O-N 3.16Å; D227-E229 PolarHBondContact O-N 3.48Å | ||
| 228 | G | 41.8 | Very low | 57.5 | Low | 68 Ų | 68 | 90.6 Ų | 90.6 | 70% | 0.701 | 57% | 0.571 | S | S | * | * | trans | -60.8 | 123.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | E230 | G228-E230 PolarHBondContact O-N 3.23Š| ||
| 229 | E | 52.7 | Low | 60 | Low | 182 Ų | 182 | 84.4 Ų | 84.4 | 85% | 0.85 | 53% | 0.531 | S | S | * | . | trans | -52.2 | 106.9 | 171.2 | -76.6 | -178.3 | 146 | 0 | 0 | 108.4 | D227 N231 | D227-E229 PolarHBondContact O-N 3.48Å; E229-N231 PolarHBondContact O-N 3.34Å; E229-N231 VanDerWaalsContact O-N 3.12Å | ||
| 230 | E | 69.4 | Low | 63.1 | Low | 88 Ų | 88 | 79.6 Ų | 79.6 | 41% | 0.411 | 50% | 0.497 | S | S | . | . | trans | -66.9 | 115 | -175.9 | -67.5 | 175 | 168.2 | 0 | 0 | 109.1 | V166 K170 G228 P232 L235 | V166-E230 WeakPolarHBondContact CG1-OE2 3.46Å; K170-E230 WeakPolarHBondContact CE-OE1 3.5Å; K170-E230 WeakPolarHBondContact CE-OE2 3.4Å; K170-E230 IonicContact NZ-OE1 3.18Å; K170-E230 PolarHBondContact NZ-OE1 3.41Å; K170-E230 IonicContact NZ-OE2 2.95Å; K170-E230 PolarHBondContact NZ-OE2 3.26Å; G228-E230 PolarHBondContact O-N 3.23Å; E230-P232 WeakPolarHBondContact O-CD 3.37Å; E230-L235 HydrophobicContact CB-CD1 3.93Å | ||
| 231 | N | 83.3 | Confident | 66.2 | Low | 81 Ų | 81 | 77.4 Ų | 77.4 | 43% | 0.433 | 48% | 0.475 | S | S | . | . | trans | -63.3 | 118.2 | 178.9 | -179 | -8 | 0 | 0 | 0 | 110.1 | E229 A233 A234 L235 | E229-N231 PolarHBondContact O-N 3.34Å; E229-N231 VanDerWaalsContact O-N 3.12Å; N231-A233 VanDerWaalsContact C-N 3.25Å; N231-A233 PolarHBondContact O-N 2.95Å; N231-A233 WeakPolarHBondContact OD1-CB 3.42Å; N231-A233 PolarHBondContact OD1-N 3.16Å; N231-A234 HydrophobicContact CB-CB 4.13Å; N231-A234 PolarHBondContact O-N 3.01Å; N231-L235 PolarHBondContact O-N 3.34Å; N231-L235 VanDerWaalsContact O-N 3.15Å | ||
| 232 | P | 87.1 | Confident | 68.7 | Low | 23 Ų | 23 | 72.8 Ų | 72.8 | 15% | 0.149 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -59.7 | -34.9 | -178.9 | 23.6 | -34 | 0 | 0 | 0 | 112.6 | T162 V166 I169 E230 L235 A236 | T162-P232 HydrophobicContact CG2-CG 4.27Å; V166-P232 HydrophobicContact CG2-CB 4.02Å; I169-P232 HydrophobicContact CD1-CB 4.02Å; I169-P232 WeakPolarHBondContact CD1-O 3.38Å; E230-P232 WeakPolarHBondContact O-CD 3.37Å; P232-L235 PolarHBondContact O-N 3.23Å; P232-A236 WeakPolarHBondContact O-CB 3.4Å; P232-A236 PolarHBondContact O-N 2.88Å |
| 233 | A | 89.1 | Confident | 71.6 | Confident | 9 Ų | 9 | 67 Ų | 67 | 7% | 0.074 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -66.6 | -42.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | N204 A208 N231 L235 A236 E237 | N204-A233 WeakPolarHBondContact O-CA 3.48Å; N204-A233 WeakPolarHBondContact O-CB 3.41Å; A208-A233 HydrophobicContact CB-CB 3.63Å; N231-A233 VanDerWaalsContact C-N 3.25Å; N231-A233 PolarHBondContact O-N 2.95Å; N231-A233 WeakPolarHBondContact OD1-CB 3.42Å; N231-A233 PolarHBondContact OD1-N 3.16Å; A233-L235 VanDerWaalsContact C-N 3.34Å; A233-L235 PolarHBondContact O-N 3.36Å; A233-A236 PolarHBondContact O-N 3.13Å; A233-E237 PolarHBondContact O-N 3.38Å |
| 234 | A | 90.4 | Very high | 74.7 | Confident | 42 Ų | 42 | 63.9 Ų | 63.9 | 35% | 0.347 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65.6 | -37.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | N231 N238 | N231-A234 HydrophobicContact CB-CB 4.13Å; N231-A234 PolarHBondContact O-N 3.01Å; A234-N238 WeakPolarHBondContact O-CB 3.31Å; A234-N238 PolarHBondContact O-N 3.26Å; A234-N238 PolarHBondContact O-ND2 3.23Å |
| 235 | L | 91.4 | Very high | 77.4 | Confident | 28 Ų | 28 | 59.2 Ų | 59.2 | 15% | 0.147 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.5 | -42.2 | 173.6 | -70.4 | 178.1 | 0 | 0 | 0 | 111.9 | V166 I169 E230 N231 P232 A233 N238 C239 | V166-L235 HydrophobicContact CB-CD1 4.49Å; V166-L235 HydrophobicContact CG1-CD1 3.75Å; V166-L235 HydrophobicContact CG2-CD1 4.34Å; I169-L235 HydrophobicContact CG2-CB 3.81Å; E230-L235 HydrophobicContact CB-CD1 3.93Å; N231-L235 PolarHBondContact O-N 3.34Å; N231-L235 VanDerWaalsContact O-N 3.15Å; P232-L235 PolarHBondContact O-N 3.23Å; A233-L235 VanDerWaalsContact C-N 3.34Å; A233-L235 PolarHBondContact O-N 3.36Å; L235-N238 PolarHBondContact O-N 3.16Å; L235-C239 WeakPolarHBondContact O-CB 3.44Å; L235-C239 PolarHBondContact O-N 3.32Å |
| 236 | A | 93.9 | Very high | 80.2 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.5 | -44 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | I169 N204 M205 P232 A233 C239 F240 | I169-A236 HydrophobicContact CD1-CB 4.12Å; I169-A236 HydrophobicContact CG2-CB 4.45Å; N204-A236 HydrophobicContact CB-CB 3.9Å; M205-A236 HydrophobicContact CG-CB 3.75Å; P232-A236 WeakPolarHBondContact O-CB 3.4Å; P232-A236 PolarHBondContact O-N 2.88Å; A233-A236 PolarHBondContact O-N 3.13Å; A236-C239 PolarHBondContact O-N 3.36Å; A236-F240 WeakPolarHBondContact O-CB 3.07Å; A236-F240 PolarHBondContact O-N 3.4Å |
| 237 | E | 93.8 | Very high | 82.5 | Confident | 63 Ų | 63 | 50.5 Ų | 50.5 | 29% | 0.294 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60 | -47.2 | 173.7 | -180 | -179.2 | 158.4 | 0 | 0 | 111.4 | M205 A233 C239 F240 R241 I281 | M205-E237 HydrophobicContact CG-CB 4.45Å; M205-E237 HydrophobicContact SD-CB 4.45Å; A233-E237 PolarHBondContact O-N 3.38Å; E237-C239 VanDerWaalsContact C-N 3.31Å; E237-C239 PolarHBondContact O-N 2.71Å; E237-F240 WeakPolarHBondContact O-CB 3.5Å; E237-F240 PolarHBondContact O-N 2.91Å; E237-R241 HydrophobicContact CG-CG 4.4Å; E237-R241 WeakPolarHBondContact O-CB 3.4Å; E237-R241 VanDerWaalsContact O-CG 3.31Å; E237-R241 WeakPolarHBondContact O-CG 3.32Å; E237-R241 PolarHBondContact O-N 3.26Å; E237-R241 IonicContact OE1-CZ 3.89Å; E237-R241 IonicContact OE1-NE 2.66Å; E237-R241 PolarHBondContact OE1-NE 3.07Å; E237-R241 IonicContact OE1-NH2 3.47Å; E237-R241 PolarHBondContact OE1-NH2 3.31Å; E237-I281 HydrophobicContact CG-CD1 3.86Å; E237-I281 HydrophobicContact CG-CG1 4.35Å |
| 238 | N | 92.6 | Very high | 84.8 | Confident | 87 Ų | 87 | 45.3 Ų | 45.3 | 47% | 0.465 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.9 | -41.7 | 178.3 | -75.3 | -25.8 | 0 | 0 | 0 | 111.8 | A234 L235 R241 E242 | A234-N238 WeakPolarHBondContact O-CB 3.31Å; A234-N238 PolarHBondContact O-N 3.26Å; A234-N238 PolarHBondContact O-ND2 3.23Å; L235-N238 PolarHBondContact O-N 3.16Å; N238-R241 PolarHBondContact O-N 3.3Å; N238-E242 WeakPolarHBondContact O-CB 3.31Å; N238-E242 PolarHBondContact O-N 2.85Å |
| 239 | C | 92.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.6 | -41.7 | 175.8 | -170.1 | 0 | 0 | 0 | 0 | 111.8 | I169 Q173 M201 L235 A236 E237 E242 L243 | I169-C239 HydrophobicContact CG2-CB 4.37Å; Q173-C239 WeakPolarHBondContact CA-SG 3.3Å; Q173-C239 HydrophobicContact CB-CB 4.29Å; Q173-C239 HydrophobicContact CG-CB 4.49Å; M201-C239 HydrophobicContact CE-CB 4.34Å; M201-C239 WeakPolarHBondContact CE-SG 3.35Å; M201-C239 HydrophobicContact SD-CB 4.29Å; L235-C239 WeakPolarHBondContact O-CB 3.44Å; L235-C239 PolarHBondContact O-N 3.32Å; A236-C239 PolarHBondContact O-N 3.36Å; E237-C239 VanDerWaalsContact C-N 3.31Å; E237-C239 PolarHBondContact O-N 2.71Å; C239-E242 PolarHBondContact O-N 3.41Å; C239-L243 WeakPolarHBondContact O-CB 3.45Å; C239-L243 PolarHBondContact O-N 3.06Å |
| 240 | F | 94.6 | Very high | 88 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.1 | -45.8 | 176.5 | -174.6 | -127.4 | 0 | 0 | 0 | 111.6 | I198 M201 L202 M205 A236 E237 E242 L243 L244 V259 I281 I282 | I198-F240 HydrophobicContact CD1-CD2 3.99Å; I198-F240 HydrophobicContact CD1-CE2 3.69Å; I198-F240 HydrophobicContact CG2-CE2 4.18Å; M201-F240 HydrophobicContact CB-CB 4.43Å; M201-F240 VanDerWaalsContact SD-CA 3.57Å; M201-F240 HydrophobicContact SD-CB 3.86Å; M201-F240 HydrophobicContact SD-CD2 4.15Å; L202-F240 HydrophobicContact CD2-CE1 4.48Å; L202-F240 HydrophobicContact CD2-CZ 4.29Å; M205-F240 HydrophobicContact CE-CD1 4.38Å; M205-F240 HydrophobicContact SD-CB 4.34Å; M205-F240 HydrophobicContact SD-CD1 4.25Å; M205-F240 HydrophobicContact SD-CG 4.48Å; A236-F240 WeakPolarHBondContact O-CB 3.07Å; A236-F240 PolarHBondContact O-N 3.4Å; E237-F240 WeakPolarHBondContact O-CB 3.5Å; E237-F240 PolarHBondContact O-N 2.91Å; F240-E242 VanDerWaalsContact C-N 3.33Å; F240-E242 PolarHBondContact O-N 3.26Å; F240-L243 PolarHBondContact O-N 2.91Å; F240-L244 HydrophobicContact CD1-CD1 3.94Å; F240-L244 HydrophobicContact CD2-CD1 3.93Å; F240-L244 HydrophobicContact CD2-CG 4.27Å; F240-L244 HydrophobicContact CE1-CD1 3.64Å; F240-L244 HydrophobicContact CE2-CD1 3.65Å; F240-L244 HydrophobicContact CE2-CD2 4.45Å; F240-L244 HydrophobicContact CE2-CG 4.16Å; F240-L244 HydrophobicContact CG-CD1 4.08Å; F240-L244 HydrophobicContact CZ-CD1 3.51Å; F240-L244 HydrophobicContact CZ-CG 4.48Å; F240-L244 WeakPolarHBondContact O-CB 3.33Å; F240-L244 VanDerWaalsContact O-CG 3.26Å; F240-L244 WeakPolarHBondContact O-CG 3.19Å; F240-L244 PolarHBondContact O-N 3.5Å; F240-V259 HydrophobicContact CE2-CG2 4.19Å; F240-V259 HydrophobicContact CZ-CG2 3.98Å; F240-I281 HydrophobicContact CD1-CB 4.26Å; F240-I281 HydrophobicContact CD1-CG2 3.54Å; F240-I281 HydrophobicContact CE1-CB 4.23Å; F240-I281 HydrophobicContact CE1-CG2 3.91Å; F240-I282 HydrophobicContact CE1-CG1 3.91Å; F240-I282 HydrophobicContact CZ-CD1 4.1Å; F240-I282 HydrophobicContact CZ-CG1 3.71Å |
| 241 | R | 93.8 | Very high | 88.8 | Confident | 79 Ų | 79 | 39.5 Ų | 39.5 | 30% | 0.298 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -59 | -44.5 | 173.8 | -72.8 | -179.9 | -179.9 | -75.6 | 5.1 | 112 | E237 N238 L244 G245 I281 S285 | E237-R241 HydrophobicContact CG-CG 4.4Å; E237-R241 WeakPolarHBondContact O-CB 3.4Å; E237-R241 VanDerWaalsContact O-CG 3.31Å; E237-R241 WeakPolarHBondContact O-CG 3.32Å; E237-R241 PolarHBondContact O-N 3.26Å; E237-R241 IonicContact OE1-CZ 3.89Å; E237-R241 IonicContact OE1-NE 2.66Å; E237-R241 PolarHBondContact OE1-NE 3.07Å; E237-R241 IonicContact OE1-NH2 3.47Å; E237-R241 PolarHBondContact OE1-NH2 3.31Å; N238-R241 PolarHBondContact O-N 3.3Å; R241-L244 PolarHBondContact O-N 2.86Å; R241-G245 PolarHBondContact O-N 3Å; R241-I281 HydrophobicContact CG-CG2 3.5Å; R241-S285 WeakPolarHBondContact CA-OG 3.43Å; R241-S285 WeakPolarHBondContact CB-OG 3.5Å; R241-S285 WeakPolarHBondContact CG-OG 3.32Å |
| 242 | E | 90.1 | Very high | 89 | Confident | 35 Ų | 35 | 35.7 Ų | 35.7 | 16% | 0.164 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.7 | -40.2 | -178.5 | -177.9 | 169.7 | -173 | 0 | 0 | 112 | Q173 R177 N238 C239 F240 R246 | Q173-E242 WeakPolarHBondContact CG-OE2 3.42Å; Q173-E242 PolarHBondContact NE2-OE2 3.01Å; R177-E242 WeakPolarHBondContact CG-OE1 3.08Å; R177-E242 IonicContact CZ-OE2 3.68Å; R177-E242 IonicContact NE-OE1 2.63Å; R177-E242 PolarHBondContact NE-OE1 2.91Å; R177-E242 IonicContact NE-OE2 3.71Å; R177-E242 PolarHBondContact NE-OE2 3.28Å; R177-E242 IonicContact NH2-OE2 3.85Å; R177-E242 PolarHBondContact NH2-OE2 3.3Å; N238-E242 WeakPolarHBondContact O-CB 3.31Å; N238-E242 PolarHBondContact O-N 2.85Å; C239-E242 PolarHBondContact O-N 3.41Å; F240-E242 VanDerWaalsContact C-N 3.33Å; F240-E242 PolarHBondContact O-N 3.26Å; E242-R246 PolarHBondContact O-NH1 3.33Å; E242-R246 IonicContact OE1-CZ 3.59Å; E242-R246 IonicContact OE1-NH1 2.82Å; E242-R246 PolarHBondContact OE1-NH1 3.39Å; E242-R246 IonicContact OE1-NH2 3Å; E242-R246 PolarHBondContact OE1-NH2 3.35Å |
| 243 | L | 90.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.3 | -52.1 | 174.4 | 175.7 | 60.4 | 0 | 0 | 0 | 111.2 | V176 W189 M194 I198 M201 C239 F240 G245 R246 | V176-L243 HydrophobicContact CG1-CB 3.96Å; V176-L243 HydrophobicContact CG1-CD1 3.97Å; V176-L243 HydrophobicContact CG2-CB 4.4Å; V176-L243 HydrophobicContact CG2-CD1 4.12Å; W189-L243 HydrophobicContact CH2-CD1 3.67Å; W189-L243 HydrophobicContact CH2-CG 3.92Å; W189-L243 WeakPolarHBondContact CH2-O 3.49Å; W189-L243 HydrophobicContact CZ2-CD1 3.98Å; W189-L243 HydrophobicContact CZ3-CD1 4.16Å; W189-L243 HydrophobicContact CZ3-CG 4.31Å; M194-L243 HydrophobicContact CE-CD1 4.05Å; M194-L243 HydrophobicContact CE-CD2 4.19Å; M194-L243 HydrophobicContact SD-CD2 4.24Å; I198-L243 HydrophobicContact CD1-CD2 3.66Å; M201-L243 HydrophobicContact CE-CD2 4.16Å; C239-L243 WeakPolarHBondContact O-CB 3.45Å; C239-L243 PolarHBondContact O-N 3.06Å; F240-L243 PolarHBondContact O-N 2.91Å; L243-G245 VanDerWaalsContact C-N 3.34Å; L243-G245 PolarHBondContact O-N 3.37Å; L243-R246 PolarHBondContact O-N 3.47Å |
| 244 | L | 90.8 | Very high | 89.2 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68 | -31.4 | -176.1 | -67 | 174.1 | 0 | 0 | 0 | 113.4 | F240 R241 R246 A247 A255 I282 I286 | F240-L244 HydrophobicContact CD1-CD1 3.94Å; F240-L244 HydrophobicContact CD2-CD1 3.93Å; F240-L244 HydrophobicContact CD2-CG 4.27Å; F240-L244 HydrophobicContact CE1-CD1 3.64Å; F240-L244 HydrophobicContact CE2-CD1 3.65Å; F240-L244 HydrophobicContact CE2-CD2 4.45Å; F240-L244 HydrophobicContact CE2-CG 4.16Å; F240-L244 HydrophobicContact CG-CD1 4.08Å; F240-L244 HydrophobicContact CZ-CD1 3.51Å; F240-L244 HydrophobicContact CZ-CG 4.48Å; F240-L244 WeakPolarHBondContact O-CB 3.33Å; F240-L244 VanDerWaalsContact O-CG 3.26Å; F240-L244 WeakPolarHBondContact O-CG 3.19Å; F240-L244 PolarHBondContact O-N 3.5Å; R241-L244 PolarHBondContact O-N 2.86Å; L244-R246 PolarHBondContact O-N 3.05Å; L244-R246 VanDerWaalsContact O-N 3.1Å; L244-A247 VanDerWaalsContact O-CB 3.3Å; L244-A247 WeakPolarHBondContact O-CB 3.39Å; L244-A247 PolarHBondContact O-N 3.08Å; L244-A255 HydrophobicContact CD2-CB 3.89Å; L244-I282 HydrophobicContact CD1-CB 4.14Å; L244-I282 HydrophobicContact CD1-CG1 3.57Å; L244-I286 HydrophobicContact CB-CG2 4.42Å |
| 245 | G | 87.6 | Confident | 89.2 | Confident | 34 Ų | 34 | 39.1 Ų | 39.1 | 35% | 0.351 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -16.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | R241 L243 S285 | R241-G245 PolarHBondContact O-N 3Å; L243-G245 VanDerWaalsContact C-N 3.34Å; L243-G245 PolarHBondContact O-N 3.37Å; G245-S285 VanDerWaalsContact CA-O 3.27Å; G245-S285 WeakPolarHBondContact CA-O 3.44Å |
| 246 | R | 85.5 | Confident | 89.4 | Confident | 82 Ų | 82 | 37.8 Ų | 37.8 | 31% | 0.309 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | 5.6 | 177 | -58.8 | -173.5 | 179.5 | 84.2 | -11 | 113.3 | V180 E242 L243 L244 A248 | V180-R246 HydrophobicContact CB-CB 4.46Å; V180-R246 HydrophobicContact CG1-CB 3.38Å; V180-R246 HydrophobicContact CG1-CG 3.99Å; E242-R246 PolarHBondContact O-NH1 3.33Å; E242-R246 IonicContact OE1-CZ 3.59Å; E242-R246 IonicContact OE1-NH1 2.82Å; E242-R246 PolarHBondContact OE1-NH1 3.39Å; E242-R246 IonicContact OE1-NH2 3Å; E242-R246 PolarHBondContact OE1-NH2 3.35Å; L243-R246 PolarHBondContact O-N 3.47Å; L244-R246 PolarHBondContact O-N 3.05Å; L244-R246 VanDerWaalsContact O-N 3.1Å; R246-A248 PolarHBondContact O-N 3.2Å |
| 247 | A | 85.2 | Confident | 89.5 | Confident | 4 Ų | 4 | 44.8 Ų | 44.8 | 3% | 0.033 | 23% | 0.229 | C | C | . | . | trans | -71.1 | 117.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | W189 L244 M252 | W189-A247 HydrophobicContact CH2-CB 3.48Å; W189-A247 VanDerWaalsContact CH2-CB 3.48Å; W189-A247 HydrophobicContact CZ2-CB 3.82Å; W189-A247 HydrophobicContact CZ3-CB 4.11Å; L244-A247 VanDerWaalsContact O-CB 3.3Å; L244-A247 WeakPolarHBondContact O-CB 3.39Å; L244-A247 PolarHBondContact O-N 3.08Å; A247-M252 HydrophobicContact CB-CE 3.72Å | ||
| 248 | A | 83.8 | Confident | 89.6 | Confident | 46 Ų | 46 | 42 Ų | 42 | 38% | 0.38 | 22% | 0.217 | S | C | . | . | trans | -81.4 | 165.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | R246 G250 N251 M252 | R246-A248 PolarHBondContact O-N 3.2Å; A248-G250 PolarHBondContact O-N 2.62Å; A248-N251 PolarHBondContact O-N 2.89Å; A248-M252 PolarHBondContact O-N 3.41Å | ||
| 249 | Y | 81.3 | Confident | 89.8 | Confident | 121 Ų | 121 | 37.8 Ų | 37.8 | 48% | 0.475 | 19% | 0.194 | S | C | . | . | G | 310 helix | trans | -46.2 | -50.9 | -178.6 | -179.2 | -101.4 | 0 | 0 | 0 | 114.3 | N251 M252 H290 H292 H293 | Y249-N251 PolarHBondContact O-N 3.24Å; Y249-M252 PolarHBondContact O-N 3.1Å; Y249-H290 AromaticContact CD2-ND1 3.95Å; Y249-H292 AromaticContact CE2-CE1 3.99Å; Y249-H292 AromaticContact CE2-NE2 3.62Å; Y249-H293 HydrophobicContact CE2-CB 4.36Å |
| 250 | G | 80.6 | Confident | 90 | Very high | 61 Ų | 61 | 38.1 Ų | 38.1 | 63% | 0.629 | 20% | 0.196 | S | C | * | . | G | 310 helix | trans | -66.3 | -20.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | A248 | A248-G250 PolarHBondContact O-N 2.62Š|
| 251 | N | 86.3 | Confident | 90 | Very high | 34 Ų | 34 | 41.1 Ų | 41.1 | 18% | 0.182 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -98.8 | -11.3 | -174.8 | -60.7 | -24.9 | 0 | 0 | 0 | 112.7 | W189 A248 Y249 K253 N254 A255 | W189-N251 HydrophobicContact CB-CB 3.81Å; W189-N251 HydrophobicContact CD2-CB 3.6Å; W189-N251 HydrophobicContact CE3-CB 3.97Å; W189-N251 HydrophobicContact CG-CB 3.52Å; W189-N251 VanDerWaalsContact CG-CG 3.42Å; W189-N251 PolarHBondContact NE1-ND2 2.99Å; A248-N251 PolarHBondContact O-N 2.89Å; Y249-N251 PolarHBondContact O-N 3.24Å; N251-K253 VanDerWaalsContact C-N 3.27Å; N251-K253 PolarHBondContact O-N 3.46Å; N251-N254 PolarHBondContact O-N 3.44Å; N251-A255 PolarHBondContact O-N 3.09Å |
| 252 | M | 88 | Confident | 90.1 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.4 | -36.8 | -173.9 | -169.3 | 56.9 | 62.4 | 0 | 0 | 112.6 | A247 A248 Y249 N254 A255 V256 I286 H290 H293 V294 | A247-M252 HydrophobicContact CB-CE 3.72Å; A248-M252 PolarHBondContact O-N 3.41Å; Y249-M252 PolarHBondContact O-N 3.1Å; M252-N254 VanDerWaalsContact C-N 3.34Å; M252-N254 PolarHBondContact O-N 3.27Å; M252-A255 WeakPolarHBondContact O-CB 3.32Å; M252-A255 PolarHBondContact O-N 3.44Å; M252-A255 HydrophobicContact SD-CB 4.5Å; M252-V256 HydrophobicContact CG-CG2 4.24Å; M252-V256 WeakPolarHBondContact O-CG2 3.47Å; M252-V256 PolarHBondContact O-N 3.46Å; M252-V256 HydrophobicContact SD-CG2 3.92Å; M252-I286 HydrophobicContact CE-CB 4.05Å; M252-I286 HydrophobicContact CE-CD1 4.46Å; M252-I286 HydrophobicContact CE-CG2 3.51Å; M252-I286 HydrophobicContact SD-CG2 4.09Å; M252-H290 HydrophobicContact CE-CB 4.03Å; M252-H293 HydrophobicContact CG-CB 4.37Å; M252-V294 HydrophobicContact CG-CG2 3.76Å; M252-V294 HydrophobicContact SD-CG2 3.63Å |
| 253 | K | 90 | Very high | 90.3 | Very high | 104 Ų | 104 | 36 Ų | 36 | 45% | 0.452 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -59.2 | -43.6 | 173.4 | -178.3 | 175.1 | -179.2 | 179.1 | 0 | 112.3 | N251 A255 R257 | N251-K253 VanDerWaalsContact C-N 3.27Å; N251-K253 PolarHBondContact O-N 3.46Å; K253-A255 VanDerWaalsContact C-N 3.29Å; K253-R257 WeakPolarHBondContact O-CB 3.42Å; K253-R257 PolarHBondContact O-N 3.31Å |
| 254 | N | 90.4 | Very high | 90.5 | Very high | 43 Ų | 43 | 38.2 Ų | 38.2 | 23% | 0.23 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -74.2 | -23.3 | -179.8 | -63.3 | -12 | 0 | 0 | 0 | 112 | W189 M194 N251 M252 P258 | W189-N254 WeakPolarHBondContact O-CB 3.42Å; W189-N254 PolarHBondContact O-ND2 3.38Å; M194-N254 WeakPolarHBondContact CB-O 3.01Å; M194-N254 HydrophobicContact CG-CB 4.45Å; N251-N254 PolarHBondContact O-N 3.44Å; M252-N254 VanDerWaalsContact C-N 3.34Å; M252-N254 PolarHBondContact O-N 3.27Å; N254-P258 WeakPolarHBondContact O-CD 3.33Å; N254-P258 VanDerWaalsContact O-CG 3.22Å; N254-P258 WeakPolarHBondContact O-CG 3.46Å |
| 255 | A | 91.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -76 | -45 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | W189 L244 N251 M252 K253 | W189-A255 HydrophobicContact CE3-CB 4.19Å; W189-A255 HydrophobicContact CH2-CB 4.5Å; W189-A255 HydrophobicContact CZ3-CB 3.58Å; L244-A255 HydrophobicContact CD2-CB 3.89Å; N251-A255 PolarHBondContact O-N 3.09Å; M252-A255 WeakPolarHBondContact O-CB 3.32Å; M252-A255 PolarHBondContact O-N 3.44Å; M252-A255 HydrophobicContact SD-CB 4.5Å; K253-A255 VanDerWaalsContact C-N 3.29Å |
| 256 | V | 95.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -84.4 | -37 | -172.8 | 177 | 0 | 0 | 0 | 0 | 112.5 | M252 V259 L260 F279 V294 Q297 | M252-V256 HydrophobicContact CG-CG2 4.24Å; M252-V256 WeakPolarHBondContact O-CG2 3.47Å; M252-V256 PolarHBondContact O-N 3.46Å; M252-V256 HydrophobicContact SD-CG2 3.92Å; V256-V259 WeakPolarHBondContact O-CB 3.35Å; V256-V259 PolarHBondContact O-N 3.43Å; V256-V259 VanDerWaalsContact O-N 3.09Å; V256-L260 HydrophobicContact CG1-CD1 4Å; V256-L260 HydrophobicContact CG1-CG 4.22Å; V256-L260 PolarHBondContact O-N 3.04Å; V256-L260 VanDerWaalsContact O-N 3.14Å; V256-F279 HydrophobicContact CG1-CE1 3.99Å; V256-F279 HydrophobicContact CG1-CZ 4.07Å; V256-V294 HydrophobicContact CG2-CG1 4.29Å; V256-V294 HydrophobicContact CG2-CG2 4.08Å; V256-Q297 HydrophobicContact CB-CB 4.44Å; V256-Q297 HydrophobicContact CB-CG 4.38Å; V256-Q297 HydrophobicContact CG1-CB 3.88Å; V256-Q297 HydrophobicContact CG1-CG 4.36Å |
| 257 | R | 95.2 | Very high | 91.2 | Very high | 146 Ų | 146 | 50 Ų | 50 | 55% | 0.551 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -56.3 | -45.5 | -177.4 | 177 | -176.9 | 178.9 | -177.9 | -0 | 113.3 | K253 V259 L260 V261 | K253-R257 WeakPolarHBondContact O-CB 3.42Å; K253-R257 PolarHBondContact O-N 3.31Å; R257-V259 VanDerWaalsContact C-N 3.26Å; R257-V259 PolarHBondContact O-N 3.23Å; R257-L260 PolarHBondContact O-N 2.81Å; R257-V261 HydrophobicContact CG-CG2 4.31Å; R257-V261 WeakPolarHBondContact O-CG2 3.46Å; R257-V261 PolarHBondContact O-N 2.9Å |
| 258 | P | 95.9 | Very high | 91.5 | Very high | 4 Ų | 4 | 50.7 Ų | 50.7 | 3% | 0.026 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63 | -32.3 | 177.8 | -22.6 | 33.9 | 0 | 0 | 0 | 113 | M194 I198 N254 H262 | M194-P258 HydrophobicContact CB-CG 4.08Å; I198-P258 HydrophobicContact CB-CB 3.9Å; I198-P258 HydrophobicContact CG1-CB 4.32Å; I198-P258 HydrophobicContact CG2-CB 4.02Å; N254-P258 WeakPolarHBondContact O-CD 3.33Å; N254-P258 VanDerWaalsContact O-CG 3.22Å; N254-P258 WeakPolarHBondContact O-CG 3.46Å; P258-H262 VanDerWaalsContact O-CB 3.29Å; P258-H262 WeakPolarHBondContact O-CB 2.94Å; P258-H262 PolarHBondContact O-N 2.66Å |
| 259 | V | 97.1 | Very high | 92 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.6 | -51.3 | 173.8 | -176 | 0 | 0 | 0 | 0 | 109.9 | I198 L202 F240 V256 R257 V261 H262 L263 C278 F279 I282 | I198-V259 HydrophobicContact CG2-CB 4.41Å; I198-V259 HydrophobicContact CG2-CG2 3.47Å; I198-V259 VanDerWaalsContact CG2-CG2 3.47Å; L202-V259 HydrophobicContact CD1-CB 4.23Å; L202-V259 HydrophobicContact CD1-CG1 4Å; L202-V259 HydrophobicContact CD1-CG2 4.28Å; F240-V259 HydrophobicContact CE2-CG2 4.19Å; F240-V259 HydrophobicContact CZ-CG2 3.98Å; V256-V259 WeakPolarHBondContact O-CB 3.35Å; V256-V259 PolarHBondContact O-N 3.43Å; V256-V259 VanDerWaalsContact O-N 3.09Å; R257-V259 VanDerWaalsContact C-N 3.26Å; R257-V259 PolarHBondContact O-N 3.23Å; V259-V261 VanDerWaalsContact C-N 3.35Å; V259-V261 PolarHBondContact O-N 3.48Å; V259-H262 WeakPolarHBondContact O-CB 3.28Å; V259-H262 PolarHBondContact O-N 2.98Å; V259-L263 HydrophobicContact CG1-CD1 4.2Å; V259-L263 WeakPolarHBondContact O-CG 3.49Å; V259-L263 PolarHBondContact O-N 3.07Å; V259-C278 HydrophobicContact CG1-CB 4.32Å; V259-F279 HydrophobicContact CG1-CE2 4.17Å; V259-I282 HydrophobicContact CG1-CD1 4.24Å; V259-I282 HydrophobicContact CG2-CD1 4.1Å |
| 260 | L | 96.5 | Very high | 92.3 | Very high | 7 Ų | 7 | 46.8 Ų | 46.8 | 4% | 0.037 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.2 | -44.8 | 179.1 | -68.7 | 170.2 | 0 | 0 | 0 | 112.1 | V256 R257 H262 L263 D264 W269 F279 H301 | V256-L260 HydrophobicContact CG1-CD1 4Å; V256-L260 HydrophobicContact CG1-CG 4.22Å; V256-L260 PolarHBondContact O-N 3.04Å; V256-L260 VanDerWaalsContact O-N 3.14Å; R257-L260 PolarHBondContact O-N 2.81Å; L260-H262 VanDerWaalsContact C-N 3.35Å; L260-H262 PolarHBondContact O-N 3.33Å; L260-L263 PolarHBondContact O-N 3.38Å; L260-D264 PolarHBondContact O-N 3.33Å; L260-W269 HydrophobicContact CD2-CH2 3.98Å; L260-W269 HydrophobicContact CD2-CZ2 3.96Å; L260-F279 HydrophobicContact CD2-CE2 3.95Å; L260-F279 HydrophobicContact CD2-CZ 3.55Å; L260-F279 HydrophobicContact CG-CZ 4.09Å; L260-H301 HydrophobicContact CD1-CB 3.91Å; L260-H301 HydrophobicContact CD2-CB 4.11Å |
| 261 | V | 95.4 | Very high | 92.7 | Very high | 63 Ų | 63 | 48.4 Ų | 48.4 | 38% | 0.382 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.7 | -40 | 177.5 | 171.9 | 0 | 0 | 0 | 0 | 111.5 | R257 V259 D264 N265 | R257-V261 HydrophobicContact CG-CG2 4.31Å; R257-V261 WeakPolarHBondContact O-CG2 3.46Å; R257-V261 PolarHBondContact O-N 2.9Å; V259-V261 VanDerWaalsContact C-N 3.35Å; V259-V261 PolarHBondContact O-N 3.48Å; V261-D264 PolarHBondContact O-N 2.92Å; V261-N265 WeakPolarHBondContact CG1-ND2 3.28Å; V261-N265 WeakPolarHBondContact O-CB 3.36Å; V261-N265 PolarHBondContact O-N 3.24Å; V261-N265 PolarHBondContact O-ND2 3.01Å |
| 262 | H | 95 | Very high | 92.9 | Very high | 7 Ų | 7 | 48.8 Ų | 48.8 | 3% | 0.032 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.9 | -46.8 | 175.9 | -177.1 | 85.7 | 0 | 0 | 0 | 111.2 | L202 P258 V259 L260 D264 N265 H266 | L202-H262 HydrophobicContact CD1-CB 3.85Å; P258-H262 VanDerWaalsContact O-CB 3.29Å; P258-H262 WeakPolarHBondContact O-CB 2.94Å; P258-H262 PolarHBondContact O-N 2.66Å; V259-H262 WeakPolarHBondContact O-CB 3.28Å; V259-H262 PolarHBondContact O-N 2.98Å; L260-H262 VanDerWaalsContact C-N 3.35Å; L260-H262 PolarHBondContact O-N 3.33Å; H262-D264 VanDerWaalsContact C-N 3.33Å; H262-D264 PolarHBondContact O-N 3.18Å; H262-N265 PolarHBondContact O-N 2.91Å; H262-H266 AromaticContact CE1-CD2 3.27Å; H262-H266 PolarHBondContact CE1-CD2 3.24Å; H262-H266 AromaticContact CE1-NE2 3.4Å; H262-H266 PolarHBondContact CE1-NE2 3.43Å; H262-H266 AromaticContact CG-CD2 3.77Å; H262-H266 AromaticContact ND1-CD2 3.3Å; H262-H266 PolarHBondContact ND1-CD2 3.23Å; H262-H266 VanDerWaalsContact ND1-CD2 3.3Å; H262-H266 AromaticContact ND1-NE2 3.47Å; H262-H266 PolarHBondContact ND1-NE2 2.7Å; H262-H266 AromaticContact NE2-CD2 3.72Å; H262-H266 WeakPolarHBondContact O-CB 3.28Å; H262-H266 PolarHBondContact O-CD2 3.33Å; H262-H266 VanDerWaalsContact O-CD2 3.22Å; H262-H266 PolarHBondContact O-N 3.17Å |
| 263 | L | 95.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.5 | -40.8 | 177.8 | -64.8 | 172.3 | 0 | 0 | 0 | 112.4 | V259 L260 H267 L268 W269 F274 A275 F279 | V259-L263 HydrophobicContact CG1-CD1 4.2Å; V259-L263 WeakPolarHBondContact O-CG 3.49Å; V259-L263 PolarHBondContact O-N 3.07Å; L260-L263 PolarHBondContact O-N 3.38Å; L263-H267 PolarHBondContact O-N 3.14Å; L263-H267 VanDerWaalsContact O-N 3.16Å; L263-L268 HydrophobicContact CD2-CB 3.68Å; L263-L268 HydrophobicContact CD2-CD1 4.07Å; L263-L268 PolarHBondContact O-N 2.92Å; L263-W269 HydrophobicContact CB-CD2 4.4Å; L263-W269 HydrophobicContact CB-CZ2 3.81Å; L263-W269 HydrophobicContact CD1-CH2 3.75Å; L263-W269 HydrophobicContact CD1-CZ2 3.66Å; L263-W269 HydrophobicContact CD1-CZ3 4.35Å; L263-W269 HydrophobicContact CG-CZ2 4.41Å; L263-F274 HydrophobicContact CD2-CD1 3.95Å; L263-F274 HydrophobicContact CD2-CE1 4.28Å; L263-A275 HydrophobicContact CD1-CB 3.84Å; L263-A275 HydrophobicContact CD2-CB 3.95Å; L263-F279 HydrophobicContact CD1-CD2 4.48Å; L263-F279 HydrophobicContact CD1-CE2 3.95Å |
| 264 | D | 94.6 | Very high | 93.3 | Very high | 46 Ų | 46 | 51.8 Ų | 51.8 | 25% | 0.246 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.5 | -50.3 | 176.4 | -74.1 | -1.9 | 0 | 0 | 0 | 111.9 | L260 V261 H262 H266 H267 W269 H301 | L260-D264 PolarHBondContact O-N 3.33Å; V261-D264 PolarHBondContact O-N 2.92Å; H262-D264 VanDerWaalsContact C-N 3.33Å; H262-D264 PolarHBondContact O-N 3.18Å; D264-H266 VanDerWaalsContact C-N 3.33Å; D264-H266 PolarHBondContact O-N 3.34Å; D264-H267 PolarHBondContact O-N 3.44Å; D264-H267 PolarHBondContact O-ND1 3.06Å; D264-W269 PolarHBondContact OD1-NE1 3.03Å; D264-H301 IonicContact OD1-CE1 3.39Å; D264-H301 PolarHBondContact OD1-CE1 3.13Å; D264-H301 IonicContact OD1-NE2 3.17Å; D264-H301 PolarHBondContact OD1-NE2 3.2Å; D264-H301 IonicContact OD2-CE1 3.14Å; D264-H301 PolarHBondContact OD2-CE1 3.34Å; D264-H301 IonicContact OD2-NE2 2.62Å; D264-H301 PolarHBondContact OD2-NE2 3.34Å |
| 265 | N | 93.9 | Very high | 93.6 | Very high | 116 Ų | 116 | 49.8 Ų | 49.8 | 62% | 0.62 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -67.1 | -33.1 | -175 | -72.5 | -17.8 | 0 | 0 | 0 | 113 | V261 H262 | V261-N265 WeakPolarHBondContact CG1-ND2 3.28Å; V261-N265 WeakPolarHBondContact O-CB 3.36Å; V261-N265 PolarHBondContact O-N 3.24Å; V261-N265 PolarHBondContact O-ND2 3.01Å; H262-N265 PolarHBondContact O-N 2.91Å |
| 266 | H | 91.3 | Very high | 93.7 | Very high | 94 Ų | 94 | 50.8 Ų | 50.8 | 44% | 0.435 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 5.8 | -179.6 | -67.5 | -80.2 | 0 | 0 | 0 | 113.2 | H262 D264 L268 | H262-H266 AromaticContact CE1-CD2 3.27Å; H262-H266 PolarHBondContact CE1-CD2 3.24Å; H262-H266 AromaticContact CE1-NE2 3.4Å; H262-H266 PolarHBondContact CE1-NE2 3.43Å; H262-H266 AromaticContact CG-CD2 3.77Å; H262-H266 AromaticContact ND1-CD2 3.3Å; H262-H266 PolarHBondContact ND1-CD2 3.23Å; H262-H266 VanDerWaalsContact ND1-CD2 3.3Å; H262-H266 AromaticContact ND1-NE2 3.47Å; H262-H266 PolarHBondContact ND1-NE2 2.7Å; H262-H266 AromaticContact NE2-CD2 3.72Å; H262-H266 WeakPolarHBondContact O-CB 3.28Å; H262-H266 PolarHBondContact O-CD2 3.33Å; H262-H266 VanDerWaalsContact O-CD2 3.22Å; H262-H266 PolarHBondContact O-N 3.17Å; D264-H266 VanDerWaalsContact C-N 3.33Å; D264-H266 PolarHBondContact O-N 3.34Å; H266-L268 VanDerWaalsContact C-N 3.29Å; H266-L268 HydrophobicContact CB-CD1 3.7Å; H266-L268 HydrophobicContact CB-CD2 4.37Å; H266-L268 HydrophobicContact CB-CG 3.7Å; H266-L268 PolarHBondContact O-N 2.95Å |
| 267 | H | 91.9 | Very high | 93.7 | Very high | 153 Ų | 153 | 53.3 Ų | 53.3 | 71% | 0.708 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 37.3 | 179.5 | -56.2 | -44 | 0 | 0 | 0 | 114.3 | L263 D264 W269 | L263-H267 PolarHBondContact O-N 3.14Å; L263-H267 VanDerWaalsContact O-N 3.16Å; D264-H267 PolarHBondContact O-N 3.44Å; D264-H267 PolarHBondContact O-ND1 3.06Å; H267-W269 PolarHBondContact O-N 2.78Å |
| 268 | L | 93.1 | Very high | 93.7 | Very high | 20 Ų | 20 | 46.3 Ų | 46.3 | 11% | 0.105 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 21.7 | -173.6 | -58.1 | 173.2 | 0 | 0 | 0 | 113.8 | L263 H266 P271 F274 | L263-L268 HydrophobicContact CD2-CB 3.68Å; L263-L268 HydrophobicContact CD2-CD1 4.07Å; L263-L268 PolarHBondContact O-N 2.92Å; H266-L268 VanDerWaalsContact C-N 3.29Å; H266-L268 HydrophobicContact CB-CD1 3.7Å; H266-L268 HydrophobicContact CB-CD2 4.37Å; H266-L268 HydrophobicContact CB-CG 3.7Å; H266-L268 PolarHBondContact O-N 2.95Å; L268-P271 CarbonylContact C-O 3.39Å; L268-F274 HydrophobicContact CB-CD1 4.44Å; L268-F274 HydrophobicContact CD1-CD1 3.73Å; L268-F274 HydrophobicContact CD1-CE1 3.9Å |
| 269 | W | 93.4 | Very high | 93.7 | Very high | 5 Ų | 5 | 46.2 Ų | 46.2 | 2% | 0.019 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | -10 | 175.1 | -63.3 | 107.5 | 0 | 0 | 0 | 112.9 | L260 L263 D264 H267 N272 A275 H301 V312 I316 V319 | L260-W269 HydrophobicContact CD2-CH2 3.98Å; L260-W269 HydrophobicContact CD2-CZ2 3.96Å; L263-W269 HydrophobicContact CB-CD2 4.4Å; L263-W269 HydrophobicContact CB-CZ2 3.81Å; L263-W269 HydrophobicContact CD1-CH2 3.75Å; L263-W269 HydrophobicContact CD1-CZ2 3.66Å; L263-W269 HydrophobicContact CD1-CZ3 4.35Å; L263-W269 HydrophobicContact CG-CZ2 4.41Å; D264-W269 PolarHBondContact OD1-NE1 3.03Å; H267-W269 PolarHBondContact O-N 2.78Å; W269-N272 WeakPolarHBondContact O-CB 3.48Å; W269-A275 HydrophobicContact CE3-CB 3.99Å; W269-A275 HydrophobicContact CZ3-CB 4.03Å; W269-H301 AromaticContact CZ2-CD2 3.8Å; W269-H301 AromaticContact CZ2-NE2 3.75Å; W269-V312 HydrophobicContact CB-CB 4.25Å; W269-V312 HydrophobicContact CB-CG1 3.98Å; W269-V312 HydrophobicContact CB-CG2 4.1Å; W269-V312 HydrophobicContact CG-CG1 4.03Å; W269-I316 HydrophobicContact CD2-CG1 3.85Å; W269-I316 HydrophobicContact CE3-CB 4.42Å; W269-I316 HydrophobicContact CE3-CG1 3.63Å; W269-I316 HydrophobicContact CH2-CG1 3.8Å; W269-I316 HydrophobicContact CZ2-CG1 4Å; W269-I316 HydrophobicContact CZ3-CB 4.14Å; W269-I316 HydrophobicContact CZ3-CG1 3.61Å; W269-V319 HydrophobicContact CZ3-CB 4.15Å; W269-V319 HydrophobicContact CZ3-CG2 3.73Å |
| 270 | D | 88 | Confident | 93.6 | Very high | 79 Ų | 79 | 52.2 Ų | 52.2 | 42% | 0.422 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -146.6 | 100.4 | 173.9 | -176.4 | 27.5 | 0 | 0 | 0 | 110 | R311 | D270-R311 HydrophobicContact CB-CB 4.27Å; D270-R311 IonicContact OD1-NH1 3.46Å; D270-R311 PolarHBondContact OD1-NH1 3.21Å; D270-R311 WeakPolarHBondContact OD2-CD 3.38Å; D270-R311 IonicContact OD2-CZ 3.9Å; D270-R311 IonicContact OD2-NE 3.68Å; D270-R311 IonicContact OD2-NH1 3.31Å; D270-R311 PolarHBondContact OD2-NH1 3.15Å; D270-R311 VanDerWaalsContact OD2-NH1 3.13Å |
| 271 | P | 88.8 | Confident | 93.5 | Very high | 95 Ų | 95 | 52 Ų | 52 | 62% | 0.617 | 27% | 0.266 | S | S | * | . | S | Bend | cis | -69.8 | 154.7 | -1.4 | 30.5 | -35.1 | 0 | 0 | 0 | 112.6 | L268 | L268-P271 CarbonylContact C-O 3.39Š|
| 272 | N | 91.4 | Very high | 93.5 | Very high | 42 Ų | 42 | 49 Ų | 49 | 23% | 0.225 | 25% | 0.248 | C | C | . | . | trans | -99.8 | 9.5 | -174.6 | 69.6 | -32.5 | 0 | 0 | 0 | 114.7 | W269 F274 A275 V276 Q318 | W269-N272 WeakPolarHBondContact O-CB 3.48Å; N272-F274 PolarHBondContact O-N 3.23Å; N272-A275 PolarHBondContact O-N 3.16Å; N272-V276 WeakPolarHBondContact O-CG2 3.46Å; N272-V276 PolarHBondContact O-N 3.16Å; N272-Q318 VanDerWaalsContact ND2-CB 3.35Å; N272-Q318 WeakPolarHBondContact ND2-CB 3.5Å; N272-Q318 WeakPolarHBondContact ND2-CG 3.31Å | ||
| 273 | E | 92.4 | Very high | 93.4 | Very high | 145 Ų | 145 | 49.3 Ų | 49.3 | 68% | 0.678 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -60 | -45.9 | -175.9 | -63.9 | -178.1 | -179 | 0 | 0 | 111.9 | V276 S277 | E273-V276 PolarHBondContact O-N 3.09Å; E273-S277 PolarHBondContact O-N 3.33Å |
| 274 | F | 93.9 | Very high | 93.3 | Very high | 23 Ų | 23 | 55 Ų | 55 | 10% | 0.101 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.7 | -43.1 | 176.6 | -175.6 | -105 | 0 | 0 | 0 | 111.9 | L202 M205 Q206 L263 L268 N272 V276 S277 C278 | L202-F274 HydrophobicContact CB-CZ 4.38Å; L202-F274 HydrophobicContact CD2-CZ 4.36Å; L202-F274 WeakPolarHBondContact O-CZ 3.44Å; M205-F274 HydrophobicContact CB-CE2 3.88Å; M205-F274 HydrophobicContact CB-CZ 4.11Å; Q206-F274 HydrophobicContact CB-CE2 4.06Å; Q206-F274 HydrophobicContact CB-CZ 4.03Å; L263-F274 HydrophobicContact CD2-CD1 3.95Å; L263-F274 HydrophobicContact CD2-CE1 4.28Å; L268-F274 HydrophobicContact CB-CD1 4.44Å; L268-F274 HydrophobicContact CD1-CD1 3.73Å; L268-F274 HydrophobicContact CD1-CE1 3.9Å; N272-F274 PolarHBondContact O-N 3.23Å; F274-V276 VanDerWaalsContact C-N 3.34Å; F274-V276 PolarHBondContact O-N 3.45Å; F274-S277 WeakPolarHBondContact O-CB 3.24Å; F274-S277 PolarHBondContact O-N 2.93Å; F274-C278 WeakPolarHBondContact CE1-SG 3.43Å; F274-C278 VanDerWaalsContact CZ-SG 3.59Å; F274-C278 PolarHBondContact O-N 3.01Å; F274-C278 PolarHBondContact O-SG 3.15Å |
| 275 | A | 95.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.8 | -44.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L263 W269 N272 C278 F279 V319 | L263-A275 HydrophobicContact CD1-CB 3.84Å; L263-A275 HydrophobicContact CD2-CB 3.95Å; W269-A275 HydrophobicContact CE3-CB 3.99Å; W269-A275 HydrophobicContact CZ3-CB 4.03Å; N272-A275 PolarHBondContact O-N 3.16Å; A275-C278 PolarHBondContact O-N 3.32Å; A275-F279 WeakPolarHBondContact O-CD2 3.46Å; A275-F279 PolarHBondContact O-N 3.4Å; A275-F279 VanDerWaalsContact O-N 3.11Å; A275-V319 HydrophobicContact CB-CG2 3.94Å |
| 276 | V | 95 | Very high | 93 | Very high | 21 Ų | 21 | 49 Ų | 49 | 13% | 0.127 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.4 | -45.8 | 174.6 | 168.1 | 0 | 0 | 0 | 0 | 111 | N272 E273 F274 C278 F279 R280 Q318 V319 E322 | N272-V276 WeakPolarHBondContact O-CG2 3.46Å; N272-V276 PolarHBondContact O-N 3.16Å; E273-V276 PolarHBondContact O-N 3.09Å; F274-V276 VanDerWaalsContact C-N 3.34Å; F274-V276 PolarHBondContact O-N 3.45Å; V276-C278 PolarHBondContact O-N 3.48Å; V276-F279 PolarHBondContact O-N 3Å; V276-R280 HydrophobicContact CG1-CG 4.29Å; V276-R280 VanDerWaalsContact O-CG 3.3Å; V276-R280 WeakPolarHBondContact O-CG 3.45Å; V276-R280 PolarHBondContact O-N 3.31Å; V276-Q318 HydrophobicContact CG2-CG 4.18Å; V276-V319 HydrophobicContact CG2-CG2 3.93Å; V276-E322 HydrophobicContact CG1-CB 4.46Å; V276-E322 HydrophobicContact CG1-CG 3.85Å; V276-E322 HydrophobicContact CG2-CG 4.45Å |
| 277 | S | 94.5 | Very high | 92.7 | Very high | 53 Ų | 53 | 49.5 Ų | 49.5 | 37% | 0.371 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -58.2 | -47.6 | 177.4 | -171.5 | 0 | 0 | 0 | 0 | 112 | E273 F274 F279 R280 I281 | E273-S277 PolarHBondContact O-N 3.33Å; F274-S277 WeakPolarHBondContact O-CB 3.24Å; F274-S277 PolarHBondContact O-N 2.93Å; S277-F279 PolarHBondContact O-N 3.13Å; S277-R280 PolarHBondContact O-N 3.47Å; S277-I281 WeakPolarHBondContact O-CG1 3.42Å; S277-I281 PolarHBondContact O-N 3.42Å |
| 278 | C | 95.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -55.5 | -49.2 | 177 | -66.8 | 0 | 0 | 0 | 0 | 111.8 | V259 F274 A275 V276 I281 I282 | V259-C278 HydrophobicContact CG1-CB 4.32Å; F274-C278 WeakPolarHBondContact CE1-SG 3.43Å; F274-C278 VanDerWaalsContact CZ-SG 3.59Å; F274-C278 PolarHBondContact O-N 3.01Å; F274-C278 PolarHBondContact O-SG 3.15Å; A275-C278 PolarHBondContact O-N 3.32Å; V276-C278 PolarHBondContact O-N 3.48Å; C278-I281 WeakPolarHBondContact O-CB 3.02Å; C278-I281 PolarHBondContact O-N 3.43Å; C278-I282 VanDerWaalsContact O-CG1 3.3Å; C278-I282 WeakPolarHBondContact O-CG1 3.42Å; C278-I282 PolarHBondContact O-N 2.89Å |
| 279 | F | 96.1 | Very high | 92 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 0% | 0.004 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -72.7 | -28.9 | -179 | -86.2 | -88.5 | 0 | 0 | 0 | 113.5 | V256 V259 L260 L263 A275 V276 S277 I282 M283 V294 V298 V319 T323 | V256-F279 HydrophobicContact CG1-CE1 3.99Å; V256-F279 HydrophobicContact CG1-CZ 4.07Å; V259-F279 HydrophobicContact CG1-CE2 4.17Å; L260-F279 HydrophobicContact CD2-CE2 3.95Å; L260-F279 HydrophobicContact CD2-CZ 3.55Å; L260-F279 HydrophobicContact CG-CZ 4.09Å; L263-F279 HydrophobicContact CD1-CD2 4.48Å; L263-F279 HydrophobicContact CD1-CE2 3.95Å; A275-F279 WeakPolarHBondContact O-CD2 3.46Å; A275-F279 PolarHBondContact O-N 3.4Å; A275-F279 VanDerWaalsContact O-N 3.11Å; V276-F279 PolarHBondContact O-N 3Å; S277-F279 PolarHBondContact O-N 3.13Å; F279-I282 HydrophobicContact CD1-CD1 4.03Å; F279-I282 HydrophobicContact CE1-CD1 4.15Å; F279-I282 HydrophobicContact CG-CD1 4.24Å; F279-I282 HydrophobicContact CZ-CD1 4.46Å; F279-I282 PolarHBondContact O-N 3.43Å; F279-M283 WeakPolarHBondContact O-CB 3.36Å; F279-M283 WeakPolarHBondContact O-CG 3.38Å; F279-M283 PolarHBondContact O-N 2.92Å; F279-V294 HydrophobicContact CD1-CG1 4.09Å; F279-V294 HydrophobicContact CE1-CG1 3.99Å; F279-V298 HydrophobicContact CD1-CG2 3.98Å; F279-V298 HydrophobicContact CE1-CG2 3.35Å; F279-V298 HydrophobicContact CZ-CG2 3.84Å; F279-V319 HydrophobicContact CB-CG1 3.72Å; F279-V319 HydrophobicContact CD1-CG1 3.87Å; F279-V319 HydrophobicContact CD2-CG1 3.39Å; F279-V319 HydrophobicContact CD2-CG2 4.45Å; F279-V319 HydrophobicContact CE1-CG1 4.36Å; F279-V319 HydrophobicContact CE2-CG1 3.92Å; F279-V319 HydrophobicContact CG-CG1 3.35Å; F279-V319 HydrophobicContact CZ-CG1 4.38Å; F279-T323 HydrophobicContact CB-CG2 3.82Å; F279-T323 HydrophobicContact CD1-CG2 3.68Å; F279-T323 HydrophobicContact CG-CG2 4.11Å |
| 280 | R | 94.6 | Very high | 91.6 | Very high | 126 Ų | 126 | 50.2 Ų | 50.2 | 48% | 0.475 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.5 | -45.9 | 168.3 | -73.4 | 178.8 | 66.9 | 177.4 | -0.3 | 110.8 | V276 S277 I282 M283 F284 I326 | V276-R280 HydrophobicContact CG1-CG 4.29Å; V276-R280 VanDerWaalsContact O-CG 3.3Å; V276-R280 WeakPolarHBondContact O-CG 3.45Å; V276-R280 PolarHBondContact O-N 3.31Å; S277-R280 PolarHBondContact O-N 3.47Å; R280-I282 VanDerWaalsContact C-N 3.34Å; R280-I282 PolarHBondContact O-N 3.5Å; R280-M283 PolarHBondContact O-N 3.29Å; R280-F284 HydrophobicContact CB-CD2 4.42Å; R280-F284 HydrophobicContact CB-CE2 4.35Å; R280-F284 WeakPolarHBondContact O-CD2 3.5Å; R280-F284 PolarHBondContact O-N 3.18Å; R280-I326 HydrophobicContact CB-CD1 4.4Å; R280-I326 HydrophobicContact CG-CD1 4.09Å |
| 281 | I | 94.6 | Very high | 91.6 | Very high | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.3 | -48.1 | 175.9 | -65.2 | 159.1 | 0 | 0 | 0 | 110.2 | M205 E237 F240 R241 S277 C278 M283 F284 S285 | M205-I281 HydrophobicContact CE-CD1 3.39Å; E237-I281 HydrophobicContact CG-CD1 3.86Å; E237-I281 HydrophobicContact CG-CG1 4.35Å; F240-I281 HydrophobicContact CD1-CB 4.26Å; F240-I281 HydrophobicContact CD1-CG2 3.54Å; F240-I281 HydrophobicContact CE1-CB 4.23Å; F240-I281 HydrophobicContact CE1-CG2 3.91Å; R241-I281 HydrophobicContact CG-CG2 3.5Å; S277-I281 WeakPolarHBondContact O-CG1 3.42Å; S277-I281 PolarHBondContact O-N 3.42Å; C278-I281 WeakPolarHBondContact O-CB 3.02Å; C278-I281 PolarHBondContact O-N 3.43Å; I281-M283 PolarHBondContact O-N 3.23Å; I281-F284 PolarHBondContact O-N 3.07Å; I281-S285 VanDerWaalsContact O-CB 3.32Å; I281-S285 WeakPolarHBondContact O-CB 3.45Å; I281-S285 PolarHBondContact O-N 2.83Å; I281-S285 PolarHBondContact O-OG 3.47Å |
| 282 | I | 94.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -54.9 | -53.5 | 176.9 | -65.1 | 163.7 | 0 | 0 | 0 | 111.1 | F240 L244 V259 C278 F279 R280 F284 S285 I286 V294 | F240-I282 HydrophobicContact CE1-CG1 3.91Å; F240-I282 HydrophobicContact CZ-CD1 4.1Å; F240-I282 HydrophobicContact CZ-CG1 3.71Å; L244-I282 HydrophobicContact CD1-CB 4.14Å; L244-I282 HydrophobicContact CD1-CG1 3.57Å; V259-I282 HydrophobicContact CG1-CD1 4.24Å; V259-I282 HydrophobicContact CG2-CD1 4.1Å; C278-I282 VanDerWaalsContact O-CG1 3.3Å; C278-I282 WeakPolarHBondContact O-CG1 3.42Å; C278-I282 PolarHBondContact O-N 2.89Å; F279-I282 HydrophobicContact CD1-CD1 4.03Å; F279-I282 HydrophobicContact CE1-CD1 4.15Å; F279-I282 HydrophobicContact CG-CD1 4.24Å; F279-I282 HydrophobicContact CZ-CD1 4.46Å; F279-I282 PolarHBondContact O-N 3.43Å; R280-I282 VanDerWaalsContact C-N 3.34Å; R280-I282 PolarHBondContact O-N 3.5Å; I282-F284 VanDerWaalsContact C-N 3.33Å; I282-F284 PolarHBondContact O-N 3.35Å; I282-S285 PolarHBondContact O-N 3.04Å; I282-S285 VanDerWaalsContact O-N 3.16Å; I282-I286 HydrophobicContact CG2-CG2 4.29Å; I282-I286 WeakPolarHBondContact O-CG1 3.23Å; I282-I286 WeakPolarHBondContact O-CG2 3.48Å; I282-I286 PolarHBondContact O-N 3.47Å; I282-V294 HydrophobicContact CG2-CG1 4.16Å; I282-V294 HydrophobicContact CG2-CG2 4.21Å |
| 283 | M | 92.4 | Very high | 91.4 | Very high | 12 Ų | 12 | 42.9 Ų | 42.9 | 6% | 0.059 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.2 | -30.4 | -174.3 | -67.1 | -63.4 | -62.4 | 0 | 0 | 113.7 | F279 R280 I281 I286 V294 T323 I326 A327 | F279-M283 WeakPolarHBondContact O-CB 3.36Å; F279-M283 WeakPolarHBondContact O-CG 3.38Å; F279-M283 PolarHBondContact O-N 2.92Å; R280-M283 PolarHBondContact O-N 3.29Å; I281-M283 PolarHBondContact O-N 3.23Å; M283-I286 HydrophobicContact SD-CD1 4.05Å; M283-V294 HydrophobicContact SD-CB 3.94Å; M283-V294 HydrophobicContact SD-CG1 3.83Å; M283-V294 HydrophobicContact SD-CG2 4.42Å; M283-T323 VanDerWaalsContact CE-O 3.27Å; M283-T323 WeakPolarHBondContact CE-O 3.31Å; M283-T323 HydrophobicContact CG-CG2 3.79Å; M283-T323 HydrophobicContact SD-CG2 4.19Å; M283-I326 HydrophobicContact CB-CB 4.11Å; M283-I326 HydrophobicContact CB-CD1 3.8Å; M283-I326 HydrophobicContact CB-CG2 3.83Å; M283-I326 HydrophobicContact CG-CD1 4.46Å; M283-A327 HydrophobicContact CE-CB 3.86Å |
| 284 | F | 92.8 | Very high | 91.4 | Very high | 121 Ų | 121 | 36 Ų | 36 | 53% | 0.531 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -80.8 | -21.7 | 174.8 | -73.3 | -57.3 | 0 | 0 | 0 | 113.7 | R280 I281 I282 I326 | R280-F284 HydrophobicContact CB-CD2 4.42Å; R280-F284 HydrophobicContact CB-CE2 4.35Å; R280-F284 WeakPolarHBondContact O-CD2 3.5Å; R280-F284 PolarHBondContact O-N 3.18Å; I281-F284 PolarHBondContact O-N 3.07Å; I282-F284 VanDerWaalsContact C-N 3.33Å; I282-F284 PolarHBondContact O-N 3.35Å; F284-I326 HydrophobicContact CD1-CG2 4.25Å; F284-I326 HydrophobicContact CD2-CD1 4.33Å; F284-I326 HydrophobicContact CE1-CG1 4.45Å; F284-I326 HydrophobicContact CE1-CG2 3.98Å; F284-I326 HydrophobicContact CE2-CD1 3.79Å; F284-I326 HydrophobicContact CE2-CG1 4.43Å; F284-I326 HydrophobicContact CZ-CD1 3.88Å; F284-I326 HydrophobicContact CZ-CG1 4.02Å; F284-I326 HydrophobicContact CZ-CG2 4.37Å |
| 285 | S | 92 | Very high | 91.3 | Very high | 22 Ų | 22 | 34.9 Ų | 34.9 | 15% | 0.154 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -86.9 | -36.1 | -179.6 | -75.6 | 0 | 0 | 0 | 0 | 113.1 | R241 G245 I281 I282 | R241-S285 WeakPolarHBondContact CA-OG 3.43Å; R241-S285 WeakPolarHBondContact CB-OG 3.5Å; R241-S285 WeakPolarHBondContact CG-OG 3.32Å; G245-S285 VanDerWaalsContact CA-O 3.27Å; G245-S285 WeakPolarHBondContact CA-O 3.44Å; I281-S285 VanDerWaalsContact O-CB 3.32Å; I281-S285 WeakPolarHBondContact O-CB 3.45Å; I281-S285 PolarHBondContact O-N 2.83Å; I281-S285 PolarHBondContact O-OG 3.47Å; I282-S285 PolarHBondContact O-N 3.04Å; I282-S285 VanDerWaalsContact O-N 3.16Å |
| 286 | I | 90.6 | Very high | 91.1 | Very high | 14 Ų | 14 | 37.8 Ų | 37.8 | 7% | 0.072 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -77.1 | 159.2 | -177.1 | 68 | -179.4 | 0 | 0 | 0 | 112.4 | L244 M252 I282 M283 V294 | L244-I286 HydrophobicContact CB-CG2 4.42Å; M252-I286 HydrophobicContact CE-CB 4.05Å; M252-I286 HydrophobicContact CE-CD1 4.46Å; M252-I286 HydrophobicContact CE-CG2 3.51Å; M252-I286 HydrophobicContact SD-CG2 4.09Å; I282-I286 HydrophobicContact CG2-CG2 4.29Å; I282-I286 WeakPolarHBondContact O-CG1 3.23Å; I282-I286 WeakPolarHBondContact O-CG2 3.48Å; I282-I286 PolarHBondContact O-N 3.47Å; M283-I286 HydrophobicContact SD-CD1 4.05Å; I286-V294 HydrophobicContact CD1-CB 4.43Å; I286-V294 HydrophobicContact CD1-CG2 3.49Å; I286-V294 VanDerWaalsContact CD1-CG2 3.49Å |
| 287 | Q | 86.3 | Confident | 91 | Very high | 104 Ų | 104 | 38 Ų | 38 | 49% | 0.486 | 19% | 0.19 | S | C | . | . | trans | -67.6 | 140.2 | 170.2 | -61.1 | -179 | 1.6 | 0 | 0 | 111 | Q289 H290 | Q287-Q289 HydrophobicContact CB-CG 4.03Å; Q287-Q289 PolarHBondContact O-N 3.13Å; Q287-Q289 VanDerWaalsContact O-N 3.09Å; Q287-H290 PolarHBondContact O-N 2.82Å | ||
| 288 | A | 83.9 | Confident | 91 | Very high | 64 Ų | 64 | 35.4 Ų | 35.4 | 53% | 0.529 | 17% | 0.173 | S | C | . | . | G | 310 helix | trans | -55.4 | -32.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | H290 S291 | A288-H290 PolarHBondContact O-N 2.88Å; A288-S291 WeakPolarHBondContact O-CB 3.13Å; A288-S291 PolarHBondContact O-N 3.21Å; A288-S291 PolarHBondContact O-OG 2.8Å |
| 289 | Q | 84.7 | Confident | 90.9 | Very high | 112 Ų | 112 | 35.6 Ų | 35.6 | 52% | 0.523 | 17% | 0.173 | S | C | . | . | G | 310 helix | trans | -62.5 | -21.3 | 176.5 | 56.7 | 175.6 | 5.4 | 0 | 0 | 114.1 | Q287 H292 | Q287-Q289 HydrophobicContact CB-CG 4.03Å; Q287-Q289 PolarHBondContact O-N 3.13Å; Q287-Q289 VanDerWaalsContact O-N 3.09Å; Q289-H292 PolarHBondContact O-CE1 3.1Å; Q289-H292 PolarHBondContact O-ND1 3.08Å |
| 290 | H | 86.1 | Confident | 90.9 | Very high | 16 Ų | 16 | 39.3 Ų | 39.3 | 7% | 0.074 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -96.8 | -3 | -179.3 | -56.9 | -32.8 | 0 | 0 | 0 | 113.3 | Y249 M252 Q287 A288 H292 H293 V294 | Y249-H290 AromaticContact CD2-ND1 3.95Å; M252-H290 HydrophobicContact CE-CB 4.03Å; Q287-H290 PolarHBondContact O-N 2.82Å; A288-H290 PolarHBondContact O-N 2.88Å; H290-H292 VanDerWaalsContact C-N 3.3Å; H290-H292 PolarHBondContact O-N 3.43Å; H290-H293 WeakPolarHBondContact O-CB 3.34Å; H290-H293 PolarHBondContact O-N 3.37Å; H290-H293 VanDerWaalsContact O-N 3.11Å; H290-V294 PolarHBondContact O-N 3.01Å |
| 291 | S | 88.5 | Confident | 90.9 | Very high | 4 Ų | 4 | 34.6 Ų | 34.6 | 3% | 0.028 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.3 | -39.7 | -177.2 | 65.7 | 0 | 0 | 0 | 0 | 113.2 | A288 H293 V294 I295 | A288-S291 WeakPolarHBondContact O-CB 3.13Å; A288-S291 PolarHBondContact O-N 3.21Å; A288-S291 PolarHBondContact O-OG 2.8Å; S291-H293 PolarHBondContact O-N 3.36Å; S291-V294 PolarHBondContact O-N 2.97Å; S291-I295 WeakPolarHBondContact O-CG1 3.46Å; S291-I295 PolarHBondContact O-N 2.91Å |
| 292 | H | 87.2 | Confident | 90.9 | Very high | 37 Ų | 37 | 34.5 Ų | 34.5 | 17% | 0.171 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.4 | -32.4 | 179.6 | 72.1 | -86.2 | 0 | 0 | 0 | 112.3 | Y249 Q289 H290 I295 Q296 T335 | Y249-H292 AromaticContact CE2-CE1 3.99Å; Y249-H292 AromaticContact CE2-NE2 3.62Å; Q289-H292 PolarHBondContact O-CE1 3.1Å; Q289-H292 PolarHBondContact O-ND1 3.08Å; H290-H292 VanDerWaalsContact C-N 3.3Å; H290-H292 PolarHBondContact O-N 3.43Å; H292-I295 PolarHBondContact O-N 3.33Å; H292-Q296 WeakPolarHBondContact O-CB 3.2Å; H292-Q296 PolarHBondContact O-N 2.94Å; H292-T335 HydrophobicContact CB-CG2 3.84Å |
| 293 | H | 88.3 | Confident | 90.9 | Very high | 21 Ų | 21 | 36.8 Ų | 36.8 | 10% | 0.097 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -72.1 | -37.6 | 177.9 | -166.1 | 81.7 | 0 | 0 | 0 | 111.8 | Y249 M252 H290 S291 Q296 Q297 | Y249-H293 HydrophobicContact CE2-CB 4.36Å; M252-H293 HydrophobicContact CG-CB 4.37Å; H290-H293 WeakPolarHBondContact O-CB 3.34Å; H290-H293 PolarHBondContact O-N 3.37Å; H290-H293 VanDerWaalsContact O-N 3.11Å; S291-H293 PolarHBondContact O-N 3.36Å; H293-Q296 WeakPolarHBondContact O-CB 3.31Å; H293-Q296 PolarHBondContact O-N 2.85Å; H293-Q297 PolarHBondContact NE2-NE2 3.34Å; H293-Q297 WeakPolarHBondContact O-CG 3.44Å; H293-Q297 PolarHBondContact O-N 2.93Å |
| 294 | V | 91.8 | Very high | 91 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.4 | -45 | 173.3 | -179.1 | 0 | 0 | 0 | 0 | 110.4 | M252 V256 F279 I282 M283 I286 H290 S291 Q296 Q297 V298 | M252-V294 HydrophobicContact CG-CG2 3.76Å; M252-V294 HydrophobicContact SD-CG2 3.63Å; V256-V294 HydrophobicContact CG2-CG1 4.29Å; V256-V294 HydrophobicContact CG2-CG2 4.08Å; F279-V294 HydrophobicContact CD1-CG1 4.09Å; F279-V294 HydrophobicContact CE1-CG1 3.99Å; I282-V294 HydrophobicContact CG2-CG1 4.16Å; I282-V294 HydrophobicContact CG2-CG2 4.21Å; M283-V294 HydrophobicContact SD-CB 3.94Å; M283-V294 HydrophobicContact SD-CG1 3.83Å; M283-V294 HydrophobicContact SD-CG2 4.42Å; I286-V294 HydrophobicContact CD1-CB 4.43Å; I286-V294 HydrophobicContact CD1-CG2 3.49Å; I286-V294 VanDerWaalsContact CD1-CG2 3.49Å; H290-V294 PolarHBondContact O-N 3.01Å; S291-V294 PolarHBondContact O-N 2.97Å; V294-Q296 VanDerWaalsContact C-N 3.29Å; V294-Q296 PolarHBondContact O-N 3.36Å; V294-Q297 PolarHBondContact O-N 2.82Å; V294-Q297 VanDerWaalsContact O-N 3.13Å; V294-V298 WeakPolarHBondContact O-CG2 3.23Å; V294-V298 PolarHBondContact O-N 3.12Å |
| 295 | I | 92.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -56.2 | -45.9 | 173.9 | -67.7 | 166.2 | 0 | 0 | 0 | 110.2 | S291 H292 Q297 V298 L299 L320 V324 A327 V339 | S291-I295 WeakPolarHBondContact O-CG1 3.46Å; S291-I295 PolarHBondContact O-N 2.91Å; H292-I295 PolarHBondContact O-N 3.33Å; I295-Q297 VanDerWaalsContact C-N 3.35Å; I295-Q297 PolarHBondContact O-N 3.43Å; I295-V298 PolarHBondContact O-N 2.89Å; I295-L299 HydrophobicContact CG2-CD1 4.06Å; I295-L299 HydrophobicContact CG2-CG 4.32Å; I295-L299 VanDerWaalsContact O-CG 3.32Å; I295-L299 WeakPolarHBondContact O-CG 3.5Å; I295-L299 PolarHBondContact O-N 2.93Å; I295-L320 HydrophobicContact CG2-CD1 3.89Å; I295-V324 HydrophobicContact CD1-CG2 3.96Å; I295-V324 HydrophobicContact CG1-CG2 4.17Å; I295-V324 HydrophobicContact CG2-CG2 4.28Å; I295-A327 HydrophobicContact CD1-CB 3.75Å; I295-V339 HydrophobicContact CG2-CG2 3.68Å |
| 296 | Q | 91.3 | Very high | 90.7 | Very high | 62 Ų | 62 | 35.6 Ų | 35.6 | 29% | 0.29 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61.2 | -39.3 | 177.2 | -167.4 | -177.6 | 20 | 0 | 0 | 112.9 | H292 H293 V294 L299 T300 | H292-Q296 WeakPolarHBondContact O-CB 3.2Å; H292-Q296 PolarHBondContact O-N 2.94Å; H293-Q296 WeakPolarHBondContact O-CB 3.31Å; H293-Q296 PolarHBondContact O-N 2.85Å; V294-Q296 VanDerWaalsContact C-N 3.29Å; V294-Q296 PolarHBondContact O-N 3.36Å; Q296-L299 PolarHBondContact O-N 2.88Å; Q296-T300 WeakPolarHBondContact O-CB 3.41Å; Q296-T300 PolarHBondContact O-N 3.37Å; Q296-T300 PolarHBondContact O-OG1 2.9Å |
| 297 | Q | 92.7 | Very high | 90.6 | Very high | 24 Ų | 24 | 43.9 Ų | 43.9 | 11% | 0.112 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.1 | -42.5 | 174.7 | -66.8 | -51.1 | -57.5 | 0 | 0 | 111.6 | V256 H293 V294 I295 T300 H301 | V256-Q297 HydrophobicContact CB-CB 4.44Å; V256-Q297 HydrophobicContact CB-CG 4.38Å; V256-Q297 HydrophobicContact CG1-CB 3.88Å; V256-Q297 HydrophobicContact CG1-CG 4.36Å; H293-Q297 PolarHBondContact NE2-NE2 3.34Å; H293-Q297 WeakPolarHBondContact O-CG 3.44Å; H293-Q297 PolarHBondContact O-N 2.93Å; V294-Q297 PolarHBondContact O-N 2.82Å; V294-Q297 VanDerWaalsContact O-N 3.13Å; I295-Q297 VanDerWaalsContact C-N 3.35Å; I295-Q297 PolarHBondContact O-N 3.43Å; Q297-T300 PolarHBondContact O-N 3.01Å; Q297-H301 WeakPolarHBondContact O-CB 3.29Å; Q297-H301 PolarHBondContact O-N 3.38Å |
| 298 | V | 95.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.3 | -41.7 | 176.5 | 178.8 | 0 | 0 | 0 | 0 | 111.3 | F279 V294 I295 H301 L302 I316 V319 L320 | F279-V298 HydrophobicContact CD1-CG2 3.98Å; F279-V298 HydrophobicContact CE1-CG2 3.35Å; F279-V298 HydrophobicContact CZ-CG2 3.84Å; V294-V298 WeakPolarHBondContact O-CG2 3.23Å; V294-V298 PolarHBondContact O-N 3.12Å; I295-V298 PolarHBondContact O-N 2.89Å; V298-H301 WeakPolarHBondContact O-CB 3.28Å; V298-H301 PolarHBondContact O-N 3.47Å; V298-L302 PolarHBondContact O-N 3.32Å; V298-I316 HydrophobicContact CG1-CG2 4.09Å; V298-V319 HydrophobicContact CG1-CG1 4.35Å; V298-V319 HydrophobicContact CG2-CG1 4.4Å; V298-L320 HydrophobicContact CB-CD1 4.45Å; V298-L320 HydrophobicContact CG1-CB 3.93Å; V298-L320 HydrophobicContact CG1-CD1 4.21Å |
| 299 | L | 93.8 | Very high | 91.1 | Very high | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.016 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.8 | -44.9 | 174.3 | -71.1 | 173.7 | 0 | 0 | 0 | 111.9 | I295 Q296 H301 L302 D303 L320 E338 V339 T342 | I295-L299 HydrophobicContact CG2-CD1 4.06Å; I295-L299 HydrophobicContact CG2-CG 4.32Å; I295-L299 VanDerWaalsContact O-CG 3.32Å; I295-L299 WeakPolarHBondContact O-CG 3.5Å; I295-L299 PolarHBondContact O-N 2.93Å; Q296-L299 PolarHBondContact O-N 2.88Å; L299-H301 VanDerWaalsContact C-N 3.28Å; L299-H301 PolarHBondContact O-N 3.17Å; L299-L302 WeakPolarHBondContact O-CB 3.32Å; L299-L302 PolarHBondContact O-N 2.96Å; L299-D303 PolarHBondContact O-N 3.41Å; L299-L320 HydrophobicContact CD2-CD1 4Å; L299-L320 HydrophobicContact CD2-CD2 3.54Å; L299-L320 HydrophobicContact CD2-CG 4.45Å; L299-L320 HydrophobicContact CG-CD1 4.16Å; L299-E338 HydrophobicContact CD1-CG 4.44Å; L299-V339 HydrophobicContact CD1-CB 4.47Å; L299-V339 HydrophobicContact CD1-CG2 3.8Å; L299-T342 HydrophobicContact CB-CG2 4.49Å; L299-T342 HydrophobicContact CD2-CG2 3.89Å |
| 300 | T | 94.6 | Very high | 91.5 | Very high | 79 Ų | 79 | 37.4 Ų | 37.4 | 49% | 0.485 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62.6 | -38.5 | 176.7 | -56.1 | 0 | 0 | 0 | 0 | 110.7 | Q296 Q297 D303 G304 | Q296-T300 WeakPolarHBondContact O-CB 3.41Å; Q296-T300 PolarHBondContact O-N 3.37Å; Q296-T300 PolarHBondContact O-OG1 2.9Å; Q297-T300 PolarHBondContact O-N 3.01Å; T300-D303 PolarHBondContact O-N 2.94Å; T300-G304 PolarHBondContact O-N 3.28Å |
| 301 | H | 95.4 | Very high | 91.7 | Very high | 27 Ų | 27 | 42.7 Ų | 42.7 | 13% | 0.125 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.3 | -43 | 176 | -161.1 | 66.2 | 0 | 0 | 0 | 112.5 | L260 D264 W269 Q297 V298 L299 D303 G304 N305 | L260-H301 HydrophobicContact CD1-CB 3.91Å; L260-H301 HydrophobicContact CD2-CB 4.11Å; D264-H301 IonicContact OD1-CE1 3.39Å; D264-H301 PolarHBondContact OD1-CE1 3.13Å; D264-H301 IonicContact OD1-NE2 3.17Å; D264-H301 PolarHBondContact OD1-NE2 3.2Å; D264-H301 IonicContact OD2-CE1 3.14Å; D264-H301 PolarHBondContact OD2-CE1 3.34Å; D264-H301 IonicContact OD2-NE2 2.62Å; D264-H301 PolarHBondContact OD2-NE2 3.34Å; W269-H301 AromaticContact CZ2-CD2 3.8Å; W269-H301 AromaticContact CZ2-NE2 3.75Å; Q297-H301 WeakPolarHBondContact O-CB 3.29Å; Q297-H301 PolarHBondContact O-N 3.38Å; V298-H301 WeakPolarHBondContact O-CB 3.28Å; V298-H301 PolarHBondContact O-N 3.47Å; L299-H301 VanDerWaalsContact C-N 3.28Å; L299-H301 PolarHBondContact O-N 3.17Å; H301-D303 VanDerWaalsContact C-N 3.32Å; H301-D303 PolarHBondContact O-N 3.38Å; H301-G304 PolarHBondContact O-N 3.06Å; H301-N305 PolarHBondContact CD2-ND2 2.9Å; H301-N305 PolarHBondContact CE1-ND2 2.64Å; H301-N305 VanDerWaalsContact CE1-ND2 3.28Å; H301-N305 PolarHBondContact NE2-ND2 2.94Å; H301-N305 VanDerWaalsContact NE2-ND2 3.13Å; H301-N305 WeakPolarHBondContact O-CB 3.16Å; H301-N305 PolarHBondContact O-N 3.1Å; H301-N305 PolarHBondContact O-ND2 2.92Å; H301-N305 VanDerWaalsContact O-ND2 3.08Å |
| 302 | L | 95.6 | Very high | 92 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.1 | -43.8 | 175.2 | -178 | 61.3 | 0 | 0 | 0 | 110.9 | V298 L299 G304 N305 N306 R313 I316 V317 H346 | V298-L302 PolarHBondContact O-N 3.32Å; L299-L302 WeakPolarHBondContact O-CB 3.32Å; L299-L302 PolarHBondContact O-N 2.96Å; L302-G304 PolarHBondContact O-N 3.07Å; L302-N305 CarbonylContact O-C 3.57Å; L302-N305 PolarHBondContact O-N 2.65Å; L302-N306 PolarHBondContact O-N 3.13Å; L302-R313 HydrophobicContact CD1-CB 4.5Å; L302-R313 HydrophobicContact CD1-CG 4.48Å; L302-I316 HydrophobicContact CB-CG2 3.82Å; L302-I316 HydrophobicContact CD1-CB 4.14Å; L302-I316 HydrophobicContact CD1-CG2 4Å; L302-I316 HydrophobicContact CG-CG2 4.42Å; L302-V317 HydrophobicContact CD1-CG2 4.04Å; L302-V317 HydrophobicContact CD2-CG2 3.88Å; L302-H346 PolarHBondContact O-CE1 3.44Å |
| 303 | D | 94.2 | Very high | 92.3 | Very high | 48 Ų | 48 | 42.4 Ų | 42.4 | 26% | 0.257 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.2 | -39.6 | 175.6 | -97.3 | -9.8 | 0 | 0 | 0 | 113.1 | L299 T300 H301 N305 N306 K345 H346 | L299-D303 PolarHBondContact O-N 3.41Å; T300-D303 PolarHBondContact O-N 2.94Å; H301-D303 VanDerWaalsContact C-N 3.32Å; H301-D303 PolarHBondContact O-N 3.38Å; D303-N305 VanDerWaalsContact C-N 3.34Å; D303-N306 WeakPolarHBondContact O-CB 3.44Å; D303-N306 PolarHBondContact O-ND2 3.34Å; D303-N306 VanDerWaalsContact O-ND2 3.12Å; D303-K345 IonicContact OD1-NZ 3.81Å; D303-K345 PolarHBondContact OD1-NZ 3.2Å; D303-K345 IonicContact OD2-NZ 3.13Å; D303-K345 PolarHBondContact OD2-NZ 3.46Å; D303-H346 IonicContact OD1-CD2 3.16Å; D303-H346 IonicContact OD1-CE1 3.56Å; D303-H346 IonicContact OD1-NE2 3.03Å; D303-H346 PolarHBondContact OD1-NE2 2.93Å |
| 304 | G | 93.2 | Very high | 92.6 | Very high | 63 Ų | 63 | 41.9 Ų | 41.9 | 65% | 0.649 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -67.4 | -31.4 | 174 | 0 | 0 | 0 | 0 | 0 | 113.7 | T300 H301 L302 | T300-G304 PolarHBondContact O-N 3.28Å; H301-G304 PolarHBondContact O-N 3.06Å; L302-G304 PolarHBondContact O-N 3.07Å |
| 305 | N | 91.2 | Very high | 92.8 | Very high | 24 Ų | 24 | 42 Ų | 42 | 13% | 0.128 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 23.7 | -178.2 | -81.6 | -80.1 | 0 | 0 | 0 | 114 | H301 L302 D303 K307 S308 R313 I316 | H301-N305 PolarHBondContact CD2-ND2 2.9Å; H301-N305 PolarHBondContact CE1-ND2 2.64Å; H301-N305 VanDerWaalsContact CE1-ND2 3.28Å; H301-N305 PolarHBondContact NE2-ND2 2.94Å; H301-N305 VanDerWaalsContact NE2-ND2 3.13Å; H301-N305 WeakPolarHBondContact O-CB 3.16Å; H301-N305 PolarHBondContact O-N 3.1Å; H301-N305 PolarHBondContact O-ND2 2.92Å; H301-N305 VanDerWaalsContact O-ND2 3.08Å; L302-N305 CarbonylContact O-C 3.57Å; L302-N305 PolarHBondContact O-N 2.65Å; D303-N305 VanDerWaalsContact C-N 3.34Å; N305-K307 PolarHBondContact O-N 2.92Å; N305-K307 VanDerWaalsContact O-N 3.13Å; N305-S308 VanDerWaalsContact O-CB 3.28Å; N305-S308 WeakPolarHBondContact O-CB 3.34Å; N305-S308 PolarHBondContact O-N 3.5Å; N305-S308 PolarHBondContact O-OG 3.08Å; N305-S308 PolarHBondContact OD1-OG 3.23Å; N305-R313 WeakPolarHBondContact O-CG 3.46Å; N305-I316 HydrophobicContact CB-CD1 3.76Å |
| 306 | N | 88.6 | Confident | 93 | Very high | 43 Ų | 43 | 42 Ų | 42 | 23% | 0.23 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -18.5 | -175.1 | 67.1 | 21.2 | 0 | 0 | 0 | 115.1 | L302 D303 M349 F353 | L302-N306 PolarHBondContact O-N 3.13Å; D303-N306 WeakPolarHBondContact O-CB 3.44Å; D303-N306 PolarHBondContact O-ND2 3.34Å; D303-N306 VanDerWaalsContact O-ND2 3.12Å; N306-M349 HydrophobicContact CB-CE 3.59Å; N306-M349 HydrophobicContact CB-SD 4.47Å; N306-F353 WeakPolarHBondContact O-CE2 3.45Å; N306-F353 WeakPolarHBondContact O-CZ 3.36Å |
| 307 | K | 87.6 | Confident | 93.2 | Very high | 188 Ų | 188 | 39.1 Ų | 39.1 | 82% | 0.817 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | -3.1 | 175.7 | -73.5 | 169 | -172.3 | 178.7 | 0 | 113.4 | N305 | N305-K307 PolarHBondContact O-N 2.92Å; N305-K307 VanDerWaalsContact O-N 3.13Å |
| 308 | S | 90.5 | Very high | 93.3 | Very high | 35 Ų | 35 | 40.1 Ų | 40.1 | 25% | 0.245 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -68.9 | 165.3 | 179.4 | -58 | 0 | 0 | 0 | 0 | 110.5 | N305 R313 | N305-S308 VanDerWaalsContact O-CB 3.28Å; N305-S308 WeakPolarHBondContact O-CB 3.34Å; N305-S308 PolarHBondContact O-N 3.5Å; N305-S308 PolarHBondContact O-OG 3.08Å; N305-S308 PolarHBondContact OD1-OG 3.23Å; S308-R313 PolarHBondContact O-NE 3.32Å; S308-R313 VanDerWaalsContact O-NE 3.15Å |
| 309 | T | 91.2 | Very high | 93.4 | Very high | 82 Ų | 82 | 40.1 Ų | 40.1 | 50% | 0.503 | 22% | 0.222 | S | C | . | . | trans | -56.8 | 150.8 | -178 | 66.5 | 0 | 0 | 0 | 0 | 110.9 | R311 V312 R313 | T309-R311 PolarHBondContact O-N 3.47Å; T309-V312 PolarHBondContact O-N 3.32Å; T309-V312 VanDerWaalsContact O-N 3.1Å; T309-V312 VanDerWaalsContact OG1-CG2 3.24Å; T309-V312 WeakPolarHBondContact OG1-CG2 3.33Å; T309-V312 PolarHBondContact OG1-N 3.23Å; T309-R313 PolarHBondContact O-N 3.03Å | ||
| 310 | P | 91.9 | Very high | 93.4 | Very high | 27 Ų | 27 | 40 Ų | 40 | 18% | 0.175 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -53.8 | -37.6 | 179 | -26.8 | 34.5 | 0 | 0 | 0 | 112.5 | R313 A314 D376 V380 | P310-R313 PolarHBondContact O-N 3.24Å; P310-A314 WeakPolarHBondContact O-CB 3.4Å; P310-A314 PolarHBondContact O-N 3.49Å; P310-D376 HydrophobicContact CB-CB 4.09Å; P310-D376 WeakPolarHBondContact CB-O 3.41Å; P310-D376 HydrophobicContact CG-CB 4Å; P310-V380 HydrophobicContact CB-CG2 3.75Å; P310-V380 WeakPolarHBondContact O-CG2 3.47Å |
| 311 | R | 92 | Very high | 93.3 | Very high | 127 Ų | 127 | 36.7 Ų | 36.7 | 48% | 0.479 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.8 | -42.9 | 177.6 | -67.4 | -167 | 172.8 | -158.8 | -3.4 | 113.5 | D270 T309 A314 G315 | D270-R311 HydrophobicContact CB-CB 4.27Å; D270-R311 IonicContact OD1-NH1 3.46Å; D270-R311 PolarHBondContact OD1-NH1 3.21Å; D270-R311 WeakPolarHBondContact OD2-CD 3.38Å; D270-R311 IonicContact OD2-CZ 3.9Å; D270-R311 IonicContact OD2-NE 3.68Å; D270-R311 IonicContact OD2-NH1 3.31Å; D270-R311 PolarHBondContact OD2-NH1 3.15Å; D270-R311 VanDerWaalsContact OD2-NH1 3.13Å; T309-R311 PolarHBondContact O-N 3.47Å; R311-A314 PolarHBondContact O-N 2.94Å; R311-G315 PolarHBondContact O-N 3.39Å |
| 312 | V | 93.6 | Very high | 93.2 | Very high | 30 Ų | 30 | 38.2 Ų | 38.2 | 18% | 0.182 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.9 | -45.6 | 175.5 | 171.8 | 0 | 0 | 0 | 0 | 110.5 | W269 T309 A314 G315 I316 | W269-V312 HydrophobicContact CB-CB 4.25Å; W269-V312 HydrophobicContact CB-CG1 3.98Å; W269-V312 HydrophobicContact CB-CG2 4.1Å; W269-V312 HydrophobicContact CG-CG1 4.03Å; T309-V312 PolarHBondContact O-N 3.32Å; T309-V312 VanDerWaalsContact O-N 3.1Å; T309-V312 VanDerWaalsContact OG1-CG2 3.24Å; T309-V312 WeakPolarHBondContact OG1-CG2 3.33Å; T309-V312 PolarHBondContact OG1-N 3.23Å; V312-A314 PolarHBondContact O-N 3.38Å; V312-G315 PolarHBondContact O-N 2.95Å; V312-I316 HydrophobicContact CG1-CD1 4.1Å; V312-I316 WeakPolarHBondContact O-CG1 3.35Å; V312-I316 PolarHBondContact O-N 3.27Å |
| 313 | R | 94.6 | Very high | 93 | Very high | 5 Ų | 5 | 38.1 Ų | 38.1 | 2% | 0.019 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.5 | -44 | 176.3 | -77.2 | -173.1 | -76 | 135.8 | 1.2 | 112.1 | L302 N305 S308 T309 P310 G315 I316 V317 E377 V380 | L302-R313 HydrophobicContact CD1-CB 4.5Å; L302-R313 HydrophobicContact CD1-CG 4.48Å; N305-R313 WeakPolarHBondContact O-CG 3.46Å; S308-R313 PolarHBondContact O-NE 3.32Å; S308-R313 VanDerWaalsContact O-NE 3.15Å; T309-R313 PolarHBondContact O-N 3.03Å; P310-R313 PolarHBondContact O-N 3.24Å; R313-G315 VanDerWaalsContact C-N 3.34Å; R313-I316 PolarHBondContact O-N 3.4Å; R313-V317 VanDerWaalsContact O-CG2 3.31Å; R313-V317 WeakPolarHBondContact O-CG2 3.48Å; R313-V317 PolarHBondContact O-N 2.88Å; R313-E377 IonicContact CZ-OE1 3.33Å; R313-E377 IonicContact CZ-OE2 3.24Å; R313-E377 IonicContact NH1-OE1 3.91Å; R313-E377 IonicContact NH1-OE2 3.17Å; R313-E377 PolarHBondContact NH1-OE2 3.35Å; R313-E377 IonicContact NH2-OE1 3.74Å; R313-E377 PolarHBondContact NH2-OE1 3.44Å; R313-E377 IonicContact NH2-OE2 3.2Å; R313-E377 PolarHBondContact NH2-OE2 2.84Å; R313-E377 VanDerWaalsContact NH2-OE2 3.07Å; R313-V380 HydrophobicContact CB-CG1 4.35Å; R313-V380 HydrophobicContact CB-CG2 4.06Å |
| 314 | A | 94.3 | Very high | 92.7 | Very high | 11 Ų | 11 | 35.9 Ų | 35.9 | 9% | 0.091 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.8 | -40 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | P310 R311 V312 I316 V317 Q318 I379 V380 A383 | P310-A314 WeakPolarHBondContact O-CB 3.4Å; P310-A314 PolarHBondContact O-N 3.49Å; R311-A314 PolarHBondContact O-N 2.94Å; V312-A314 PolarHBondContact O-N 3.38Å; A314-I316 PolarHBondContact O-N 3.37Å; A314-V317 PolarHBondContact O-N 3.37Å; A314-Q318 PolarHBondContact O-N 3.19Å; A314-I379 HydrophobicContact CB-CG2 3.83Å; A314-V380 HydrophobicContact CB-CG2 4.25Å; A314-A383 HydrophobicContact CB-CB 4.32Å |
| 315 | G | 94.5 | Very high | 92.4 | Very high | 3 Ų | 3 | 33.9 Ų | 33.9 | 3% | 0.031 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.3 | -44.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | R311 V312 R313 Q318 V319 | R311-G315 PolarHBondContact O-N 3.39Å; V312-G315 PolarHBondContact O-N 2.95Å; R313-G315 VanDerWaalsContact C-N 3.34Å; G315-Q318 PolarHBondContact O-N 2.84Å; G315-V319 PolarHBondContact O-N 3.41Å |
| 316 | I | 96.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.2 | -42.8 | 174.9 | -61.4 | 164.2 | 0 | 0 | 0 | 110.9 | W269 V298 L302 N305 V312 R313 A314 Q318 V319 L320 | W269-I316 HydrophobicContact CD2-CG1 3.85Å; W269-I316 HydrophobicContact CE3-CB 4.42Å; W269-I316 HydrophobicContact CE3-CG1 3.63Å; W269-I316 HydrophobicContact CH2-CG1 3.8Å; W269-I316 HydrophobicContact CZ2-CG1 4Å; W269-I316 HydrophobicContact CZ3-CB 4.14Å; W269-I316 HydrophobicContact CZ3-CG1 3.61Å; V298-I316 HydrophobicContact CG1-CG2 4.09Å; L302-I316 HydrophobicContact CB-CG2 3.82Å; L302-I316 HydrophobicContact CD1-CB 4.14Å; L302-I316 HydrophobicContact CD1-CG2 4Å; L302-I316 HydrophobicContact CG-CG2 4.42Å; N305-I316 HydrophobicContact CB-CD1 3.76Å; V312-I316 HydrophobicContact CG1-CD1 4.1Å; V312-I316 WeakPolarHBondContact O-CG1 3.35Å; V312-I316 PolarHBondContact O-N 3.27Å; R313-I316 PolarHBondContact O-N 3.4Å; A314-I316 PolarHBondContact O-N 3.37Å; I316-Q318 VanDerWaalsContact C-N 3.3Å; I316-Q318 PolarHBondContact O-N 2.7Å; I316-V319 PolarHBondContact O-N 2.69Å; I316-L320 PolarHBondContact O-N 3.46Å |
| 317 | V | 96.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.6 | -35.1 | 176.8 | 172 | 0 | 0 | 0 | 0 | 111.8 | L302 R313 A314 L320 L321 L343 A383 I384 T387 | L302-V317 HydrophobicContact CD1-CG2 4.04Å; L302-V317 HydrophobicContact CD2-CG2 3.88Å; R313-V317 VanDerWaalsContact O-CG2 3.31Å; R313-V317 WeakPolarHBondContact O-CG2 3.48Å; R313-V317 PolarHBondContact O-N 2.88Å; A314-V317 PolarHBondContact O-N 3.37Å; V317-L320 WeakPolarHBondContact O-CB 3.34Å; V317-L320 PolarHBondContact O-N 2.87Å; V317-L321 PolarHBondContact O-N 2.77Å; V317-L343 HydrophobicContact CG1-CD2 4.38Å; V317-A383 HydrophobicContact CB-CB 4.38Å; V317-A383 HydrophobicContact CG1-CB 3.94Å; V317-I384 HydrophobicContact CG1-CG1 4.01Å; V317-I384 HydrophobicContact CG2-CG1 3.91Å; V317-T387 WeakPolarHBondContact CG1-OG1 3.5Å |
| 318 | Q | 95.1 | Very high | 91.3 | Very high | 46 Ų | 46 | 25.2 Ų | 25.2 | 22% | 0.215 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -68.9 | -40.4 | 174.6 | -174.3 | 64 | 29.1 | 0 | 0 | 111.9 | N272 V276 A314 G315 I316 L320 L321 E322 | N272-Q318 VanDerWaalsContact ND2-CB 3.35Å; N272-Q318 WeakPolarHBondContact ND2-CB 3.5Å; N272-Q318 WeakPolarHBondContact ND2-CG 3.31Å; V276-Q318 HydrophobicContact CG2-CG 4.18Å; A314-Q318 PolarHBondContact O-N 3.19Å; G315-Q318 PolarHBondContact O-N 2.84Å; I316-Q318 VanDerWaalsContact C-N 3.3Å; I316-Q318 PolarHBondContact O-N 2.7Å; Q318-L320 VanDerWaalsContact C-N 3.28Å; Q318-L320 PolarHBondContact O-N 3.48Å; Q318-L321 WeakPolarHBondContact O-CB 3.42Å; Q318-L321 PolarHBondContact O-N 3.41Å; Q318-E322 WeakPolarHBondContact O-CG 3.36Å; Q318-E322 PolarHBondContact O-N 2.89Å |
| 319 | V | 96.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.4 | -40.5 | 171.5 | 165.8 | 0 | 0 | 0 | 0 | 110.9 | W269 A275 V276 F279 V298 G315 I316 L321 E322 T323 | W269-V319 HydrophobicContact CZ3-CB 4.15Å; W269-V319 HydrophobicContact CZ3-CG2 3.73Å; A275-V319 HydrophobicContact CB-CG2 3.94Å; V276-V319 HydrophobicContact CG2-CG2 3.93Å; F279-V319 HydrophobicContact CB-CG1 3.72Å; F279-V319 HydrophobicContact CD1-CG1 3.87Å; F279-V319 HydrophobicContact CD2-CG1 3.39Å; F279-V319 HydrophobicContact CD2-CG2 4.45Å; F279-V319 HydrophobicContact CE1-CG1 4.36Å; F279-V319 HydrophobicContact CE2-CG1 3.92Å; F279-V319 HydrophobicContact CG-CG1 3.35Å; F279-V319 HydrophobicContact CZ-CG1 4.38Å; V298-V319 HydrophobicContact CG1-CG1 4.35Å; V298-V319 HydrophobicContact CG2-CG1 4.4Å; G315-V319 PolarHBondContact O-N 3.41Å; I316-V319 PolarHBondContact O-N 2.69Å; V319-L321 VanDerWaalsContact C-N 3.34Å; V319-L321 PolarHBondContact O-N 2.97Å; V319-E322 PolarHBondContact O-N 3.07Å; V319-T323 HydrophobicContact CG1-CG2 4.28Å; V319-T323 WeakPolarHBondContact O-CB 3.38Å; V319-T323 VanDerWaalsContact O-CG2 3.26Å; V319-T323 WeakPolarHBondContact O-CG2 3.48Å; V319-T323 PolarHBondContact O-N 3.01Å; V319-T323 PolarHBondContact O-OG1 3.34Å |
| 320 | L | 94.9 | Very high | 88.9 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.1 | -42.1 | 173.8 | -178.7 | 64.8 | 0 | 0 | 0 | 112 | I295 V298 L299 I316 V317 Q318 T323 V324 L343 | I295-L320 HydrophobicContact CG2-CD1 3.89Å; V298-L320 HydrophobicContact CB-CD1 4.45Å; V298-L320 HydrophobicContact CG1-CB 3.93Å; V298-L320 HydrophobicContact CG1-CD1 4.21Å; L299-L320 HydrophobicContact CD2-CD1 4Å; L299-L320 HydrophobicContact CD2-CD2 3.54Å; L299-L320 HydrophobicContact CD2-CG 4.45Å; L299-L320 HydrophobicContact CG-CD1 4.16Å; I316-L320 PolarHBondContact O-N 3.46Å; V317-L320 WeakPolarHBondContact O-CB 3.34Å; V317-L320 PolarHBondContact O-N 2.87Å; Q318-L320 VanDerWaalsContact C-N 3.28Å; Q318-L320 PolarHBondContact O-N 3.48Å; L320-T323 WeakPolarHBondContact CA-OG1 3.18Å; L320-T323 PolarHBondContact O-N 3.21Å; L320-T323 PolarHBondContact O-OG1 3.4Å; L320-V324 HydrophobicContact CD1-CG2 4.04Å; L320-V324 HydrophobicContact CG-CG2 4.39Å; L320-V324 WeakPolarHBondContact O-CB 3.22Å; L320-V324 WeakPolarHBondContact O-CG2 3.46Å; L320-V324 PolarHBondContact O-N 2.86Å; L320-L343 HydrophobicContact CD2-CD1 4.48Å; L320-L343 HydrophobicContact CD2-CD2 3.8Å; L320-L343 HydrophobicContact CD2-CG 4.24Å |
| 321 | L | 92.8 | Very high | 87.3 | Confident | 9 Ų | 9 | 32.6 Ų | 32.6 | 5% | 0.047 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.1 | -50.6 | 175 | 170.8 | 60.2 | 0 | 0 | 0 | 111.7 | V317 Q318 V319 V324 A325 Q386 T387 F390 | V317-L321 PolarHBondContact O-N 2.77Å; Q318-L321 WeakPolarHBondContact O-CB 3.42Å; Q318-L321 PolarHBondContact O-N 3.41Å; V319-L321 VanDerWaalsContact C-N 3.34Å; V319-L321 PolarHBondContact O-N 2.97Å; L321-V324 PolarHBondContact O-N 2.78Å; L321-A325 WeakPolarHBondContact O-CB 3.33Å; L321-A325 PolarHBondContact O-N 2.86Å; L321-Q386 HydrophobicContact CD2-CG 4.45Å; L321-T387 HydrophobicContact CB-CG2 4.03Å; L321-T387 HydrophobicContact CD1-CG2 4.47Å; L321-F390 HydrophobicContact CD1-CB 3.52Å; L321-F390 HydrophobicContact CD1-CD1 3.32Å; L321-F390 HydrophobicContact CD1-CD2 4.3Å; L321-F390 HydrophobicContact CD1-CE1 4.12Å; L321-F390 HydrophobicContact CD1-CG 3.44Å; L321-F390 VanDerWaalsContact CD1-CG 3.44Å |
| 322 | E | 92.4 | Very high | 85.9 | Confident | 58 Ų | 58 | 27.1 Ų | 27.1 | 27% | 0.271 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -66.3 | -40.6 | -178.5 | -67.2 | -66.2 | 159 | 0 | 0 | 112.4 | V276 Q318 V319 A325 I326 | V276-E322 HydrophobicContact CG1-CB 4.46Å; V276-E322 HydrophobicContact CG1-CG 3.85Å; V276-E322 HydrophobicContact CG2-CG 4.45Å; Q318-E322 WeakPolarHBondContact O-CG 3.36Å; Q318-E322 PolarHBondContact O-N 2.89Å; V319-E322 PolarHBondContact O-N 3.07Å; E322-A325 WeakPolarHBondContact O-CB 3.31Å; E322-A325 PolarHBondContact O-N 3.4Å; E322-I326 WeakPolarHBondContact O-CG1 3.46Å; E322-I326 PolarHBondContact O-N 3.27Å; E322-I326 VanDerWaalsContact O-N 3.12Å |
| 323 | T | 91.5 | Very high | 84.6 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.7 | -43.8 | 177 | 52.9 | 0 | 0 | 0 | 0 | 111.8 | F279 M283 V319 L320 A325 I326 A327 | F279-T323 HydrophobicContact CB-CG2 3.82Å; F279-T323 HydrophobicContact CD1-CG2 3.68Å; F279-T323 HydrophobicContact CG-CG2 4.11Å; M283-T323 VanDerWaalsContact CE-O 3.27Å; M283-T323 WeakPolarHBondContact CE-O 3.31Å; M283-T323 HydrophobicContact CG-CG2 3.79Å; M283-T323 HydrophobicContact SD-CG2 4.19Å; V319-T323 HydrophobicContact CG1-CG2 4.28Å; V319-T323 WeakPolarHBondContact O-CB 3.38Å; V319-T323 VanDerWaalsContact O-CG2 3.26Å; V319-T323 WeakPolarHBondContact O-CG2 3.48Å; V319-T323 PolarHBondContact O-N 3.01Å; V319-T323 PolarHBondContact O-OG1 3.34Å; L320-T323 WeakPolarHBondContact CA-OG1 3.18Å; L320-T323 PolarHBondContact O-N 3.21Å; L320-T323 PolarHBondContact O-OG1 3.4Å; T323-A325 VanDerWaalsContact C-N 3.34Å; T323-I326 PolarHBondContact O-N 2.66Å; T323-A327 WeakPolarHBondContact O-CB 3.32Å; T323-A327 PolarHBondContact O-N 3.24Å |
| 324 | V | 88.2 | Confident | 83.6 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.2 | -38.7 | 175.2 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | I295 L320 L321 I326 A327 A328 F391 | I295-V324 HydrophobicContact CD1-CG2 3.96Å; I295-V324 HydrophobicContact CG1-CG2 4.17Å; I295-V324 HydrophobicContact CG2-CG2 4.28Å; L320-V324 HydrophobicContact CD1-CG2 4.04Å; L320-V324 HydrophobicContact CG-CG2 4.39Å; L320-V324 WeakPolarHBondContact O-CB 3.22Å; L320-V324 WeakPolarHBondContact O-CG2 3.46Å; L320-V324 PolarHBondContact O-N 2.86Å; L321-V324 PolarHBondContact O-N 2.78Å; V324-I326 VanDerWaalsContact C-N 3.31Å; V324-I326 PolarHBondContact O-N 2.73Å; V324-A327 PolarHBondContact O-N 2.72Å; V324-A328 WeakPolarHBondContact O-CB 3.37Å; V324-A328 PolarHBondContact O-N 3.47Å; V324-F391 HydrophobicContact CG1-CB 4.03Å; V324-F391 HydrophobicContact CG1-CD1 4.44Å; V324-F391 HydrophobicContact CG1-CD2 3.13Å; V324-F391 HydrophobicContact CG1-CE2 3.61Å; V324-F391 HydrophobicContact CG1-CG 3.63Å; V324-F391 HydrophobicContact CG1-CZ 4.41Å |
| 325 | A | 87.9 | Confident | 82.9 | Confident | 22 Ų | 22 | 32.4 Ų | 32.4 | 18% | 0.182 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.6 | -40.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L321 E322 T323 F390 | L321-A325 WeakPolarHBondContact O-CB 3.33Å; L321-A325 PolarHBondContact O-N 2.86Å; E322-A325 WeakPolarHBondContact O-CB 3.31Å; E322-A325 PolarHBondContact O-N 3.4Å; T323-A325 VanDerWaalsContact C-N 3.34Å; A325-F390 HydrophobicContact CB-CD1 4.36Å; A325-F390 HydrophobicContact CB-CE1 3.27Å; A325-F390 HydrophobicContact CB-CZ 3.48Å; A325-F390 VanDerWaalsContact CB-CZ 3.48Å |
| 326 | I | 88.1 | Confident | 82.5 | Confident | 32 Ų | 32 | 32.7 Ų | 32.7 | 16% | 0.164 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -72.4 | -41 | 176.2 | -62.4 | 166.6 | 0 | 0 | 0 | 110.1 | R280 M283 F284 E322 T323 V324 A328 | R280-I326 HydrophobicContact CB-CD1 4.4Å; R280-I326 HydrophobicContact CG-CD1 4.09Å; M283-I326 HydrophobicContact CB-CB 4.11Å; M283-I326 HydrophobicContact CB-CD1 3.8Å; M283-I326 HydrophobicContact CB-CG2 3.83Å; M283-I326 HydrophobicContact CG-CD1 4.46Å; F284-I326 HydrophobicContact CD1-CG2 4.25Å; F284-I326 HydrophobicContact CD2-CD1 4.33Å; F284-I326 HydrophobicContact CE1-CG1 4.45Å; F284-I326 HydrophobicContact CE1-CG2 3.98Å; F284-I326 HydrophobicContact CE2-CD1 3.79Å; F284-I326 HydrophobicContact CE2-CG1 4.43Å; F284-I326 HydrophobicContact CZ-CD1 3.88Å; F284-I326 HydrophobicContact CZ-CG1 4.02Å; F284-I326 HydrophobicContact CZ-CG2 4.37Å; E322-I326 WeakPolarHBondContact O-CG1 3.46Å; E322-I326 PolarHBondContact O-N 3.27Å; E322-I326 VanDerWaalsContact O-N 3.12Å; T323-I326 PolarHBondContact O-N 2.66Å; V324-I326 VanDerWaalsContact C-N 3.31Å; V324-I326 PolarHBondContact O-N 2.73Å; I326-A328 PolarHBondContact O-N 2.66Å |
| 327 | A | 83.7 | Confident | 82 | Confident | 7 Ų | 7 | 36.4 Ų | 36.4 | 6% | 0.058 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -70.1 | -27.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | M283 I295 T323 V324 K329 G330 S331 V332 | M283-A327 HydrophobicContact CE-CB 3.86Å; I295-A327 HydrophobicContact CD1-CB 3.75Å; T323-A327 WeakPolarHBondContact O-CB 3.32Å; T323-A327 PolarHBondContact O-N 3.24Å; V324-A327 PolarHBondContact O-N 2.72Å; A327-K329 PolarHBondContact O-N 3.19Å; A327-G330 PolarHBondContact O-N 3.35Å; A327-S331 PolarHBondContact O-N 3.04Å; A327-V332 HydrophobicContact CB-CG2 3.89Å; A327-V332 VanDerWaalsContact O-CG2 3.23Å; A327-V332 WeakPolarHBondContact O-CG2 3.43Å |
| 328 | A | 71.8 | Confident | 81.6 | Confident | 33 Ų | 33 | 40.2 Ų | 40.2 | 27% | 0.273 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -22.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | V324 I326 G330 V332 N394 | V324-A328 WeakPolarHBondContact O-CB 3.37Å; V324-A328 PolarHBondContact O-N 3.47Å; I326-A328 PolarHBondContact O-N 2.66Å; A328-G330 VanDerWaalsContact C-N 3.31Å; A328-G330 PolarHBondContact O-N 3.18Å; A328-V332 VanDerWaalsContact CA-CG2 3.46Å; A328-V332 HydrophobicContact CB-CG2 4.48Å; A328-N394 HydrophobicContact CB-CB 3.94Å |
| 329 | K | 66.8 | Low | 81.4 | Confident | 196 Ų | 196 | 38 Ų | 38 | 85% | 0.852 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78 | -4.5 | 179.4 | -63.3 | -178.5 | -179.4 | 177.9 | 0 | 114.9 | A327 | A327-K329 PolarHBondContact O-N 3.19Š|
| 330 | G | 65.1 | Low | 81.2 | Confident | 55 Ų | 55 | 38 Ų | 38 | 57% | 0.567 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -150.6 | -47.5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | A327 A328 | A327-G330 PolarHBondContact O-N 3.35Å; A328-G330 VanDerWaalsContact C-N 3.31Å; A328-G330 PolarHBondContact O-N 3.18Å |
| 331 | S | 58.3 | Low | 81.1 | Confident | 48 Ų | 48 | 41.2 Ų | 41.2 | 34% | 0.336 | 25% | 0.248 | S | C | . | . | trans | -155.9 | 50 | -162.2 | -61.1 | 0 | 0 | 0 | 0 | 115.4 | A327 | A327-S331 PolarHBondContact O-N 3.04Š| ||
| 332 | V | 61.7 | Low | 81 | Confident | 12 Ų | 12 | 41.3 Ų | 41.3 | 7% | 0.073 | 25% | 0.249 | C | C | . | . | trans | -90.3 | -13.9 | -178.9 | -158.2 | 0 | 0 | 0 | 0 | 114.5 | A327 A328 T335 V336 F391 | A327-V332 HydrophobicContact CB-CG2 3.89Å; A327-V332 VanDerWaalsContact O-CG2 3.23Å; A327-V332 WeakPolarHBondContact O-CG2 3.43Å; A328-V332 VanDerWaalsContact CA-CG2 3.46Å; A328-V332 HydrophobicContact CB-CG2 4.48Å; V332-T335 PolarHBondContact O-N 2.92Å; V332-T335 PolarHBondContact O-OG1 2.86Å; V332-V336 HydrophobicContact CG1-CG2 4.44Å; V332-V336 WeakPolarHBondContact O-CG2 3.43Å; V332-V336 PolarHBondContact O-N 3.15Å; V332-F391 HydrophobicContact CB-CE2 4.16Å; V332-F391 HydrophobicContact CB-CZ 4.45Å; V332-F391 HydrophobicContact CG1-CE2 3.39Å; V332-F391 HydrophobicContact CG1-CZ 3.41Å; V332-F391 VanDerWaalsContact CG1-CZ 3.41Å | ||
| 333 | G | 67.4 | Low | 81.2 | Confident | 42 Ų | 42 | 38.5 Ų | 38.5 | 43% | 0.433 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -45 | -50.9 | -169 | 0 | 0 | 0 | 0 | 0 | 117 | T335 V336 | G333-T335 VanDerWaalsContact C-N 3.31Å; G333-T335 PolarHBondContact O-N 3.13Å; G333-V336 WeakPolarHBondContact O-CG2 3.34Å |
| 334 | P | 71.9 | Confident | 81.2 | Confident | 111 Ų | 111 | 38.7 Ų | 38.7 | 72% | 0.721 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -66.2 | -27 | -174.6 | -23.5 | 34.4 | 0 | 0 | 0 | 115 | ||
| 335 | T | 80.1 | Confident | 81.4 | Confident | 5 Ų | 5 | 42.2 Ų | 42.2 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -103.1 | -0.2 | -172.9 | 49.7 | 0 | 0 | 0 | 0 | 113.5 | H292 V332 G333 L337 E338 V339 | H292-T335 HydrophobicContact CB-CG2 3.84Å; V332-T335 PolarHBondContact O-N 2.92Å; V332-T335 PolarHBondContact O-OG1 2.86Å; G333-T335 VanDerWaalsContact C-N 3.31Å; G333-T335 PolarHBondContact O-N 3.13Å; T335-L337 PolarHBondContact O-N 3.47Å; T335-E338 PolarHBondContact O-N 3.24Å; T335-V339 VanDerWaalsContact O-CG2 3.28Å; T335-V339 WeakPolarHBondContact O-CG2 3.42Å; T335-V339 PolarHBondContact O-N 3.04Å |
| 336 | V | 85.3 | Confident | 81.6 | Confident | 8 Ų | 8 | 41.3 Ų | 41.3 | 5% | 0.048 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -52.7 | -59.6 | -173.7 | 177 | 0 | 0 | 0 | 0 | 111.4 | V332 G333 E338 V339 F340 F391 L395 V403 | V332-V336 HydrophobicContact CG1-CG2 4.44Å; V332-V336 WeakPolarHBondContact O-CG2 3.43Å; V332-V336 PolarHBondContact O-N 3.15Å; G333-V336 WeakPolarHBondContact O-CG2 3.34Å; V336-E338 VanDerWaalsContact C-N 3.3Å; V336-E338 PolarHBondContact O-N 2.94Å; V336-V339 PolarHBondContact O-N 3.32Å; V336-F340 HydrophobicContact CG1-CD2 3.95Å; V336-F340 HydrophobicContact CG1-CE2 3.76Å; V336-F340 WeakPolarHBondContact O-CD2 3.39Å; V336-F340 PolarHBondContact O-N 3.34Å; V336-F340 VanDerWaalsContact O-N 3.17Å; V336-F391 HydrophobicContact CB-CE1 4.42Å; V336-F391 HydrophobicContact CB-CZ 4.15Å; V336-F391 HydrophobicContact CG1-CE1 4.08Å; V336-F391 HydrophobicContact CG1-CZ 4.07Å; V336-F391 HydrophobicContact CG2-CZ 3.91Å; V336-L395 HydrophobicContact CG1-CD1 3.76Å; V336-L395 HydrophobicContact CG1-CD2 4.33Å; V336-L395 HydrophobicContact CG2-CD2 4.1Å; V336-V403 HydrophobicContact CG1-CG2 3.84Å |
| 337 | L | 87 | Confident | 81.9 | Confident | 79 Ų | 79 | 39.9 Ų | 39.9 | 41% | 0.414 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -67.4 | -31.3 | -176.9 | -66.9 | 178.7 | 0 | 0 | 0 | 112.7 | T335 F340 N341 V403 F406 | T335-L337 PolarHBondContact O-N 3.47Å; L337-F340 PolarHBondContact O-N 2.91Å; L337-N341 WeakPolarHBondContact O-CB 3.13Å; L337-N341 PolarHBondContact O-N 3.18Å; L337-V403 HydrophobicContact CD2-CG2 4.42Å; L337-F406 HydrophobicContact CD2-CB 4.16Å; L337-F406 HydrophobicContact CD2-CD1 4.48Å; L337-F406 HydrophobicContact CD2-CD2 4.29Å; L337-F406 HydrophobicContact CD2-CG 4.06Å |
| 338 | E | 87.9 | Confident | 82.1 | Confident | 80 Ų | 80 | 40.7 Ų | 40.7 | 37% | 0.374 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -66.1 | -44.8 | 176.6 | -170.8 | 179.2 | -176.1 | 0 | 0 | 111.3 | L299 T335 V336 F340 N341 T342 | L299-E338 HydrophobicContact CD1-CG 4.44Å; T335-E338 PolarHBondContact O-N 3.24Å; V336-E338 VanDerWaalsContact C-N 3.3Å; V336-E338 PolarHBondContact O-N 2.94Å; E338-F340 PolarHBondContact O-N 2.92Å; E338-N341 PolarHBondContact O-N 3.48Å; E338-T342 WeakPolarHBondContact O-CB 3.38Å; E338-T342 PolarHBondContact O-N 3.29Å; E338-T342 PolarHBondContact O-OG1 2.87Å |
| 339 | V | 90.8 | Very high | 83 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -56.8 | -51.8 | 174.1 | 172.2 | 0 | 0 | 0 | 0 | 110 | I295 L299 T335 V336 N341 T342 L343 F391 | I295-V339 HydrophobicContact CG2-CG2 3.68Å; L299-V339 HydrophobicContact CD1-CB 4.47Å; L299-V339 HydrophobicContact CD1-CG2 3.8Å; T335-V339 VanDerWaalsContact O-CG2 3.28Å; T335-V339 WeakPolarHBondContact O-CG2 3.42Å; T335-V339 PolarHBondContact O-N 3.04Å; V336-V339 PolarHBondContact O-N 3.32Å; V339-N341 PolarHBondContact O-N 3.42Å; V339-T342 PolarHBondContact O-N 2.88Å; V339-L343 HydrophobicContact CG1-CD1 3.72Å; V339-L343 HydrophobicContact CG1-CG 4.35Å; V339-L343 WeakPolarHBondContact O-CB 3.36Å; V339-L343 VanDerWaalsContact O-CG 3.25Å; V339-L343 WeakPolarHBondContact O-CG 3.48Å; V339-L343 PolarHBondContact O-N 2.91Å; V339-F391 HydrophobicContact CB-CD1 4.33Å; V339-F391 HydrophobicContact CB-CE1 3.84Å; V339-F391 HydrophobicContact CG1-CD1 3.78Å; V339-F391 HydrophobicContact CG1-CE1 3.81Å; V339-F391 HydrophobicContact CG2-CE1 4.34Å |
| 340 | F | 91.9 | Very high | 84.1 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.5 | -43 | 178.3 | -74.9 | -73.3 | 0 | 0 | 0 | 112 | V336 L337 E338 T342 L343 L344 I388 F391 L395 V403 F406 V445 | V336-F340 HydrophobicContact CG1-CD2 3.95Å; V336-F340 HydrophobicContact CG1-CE2 3.76Å; V336-F340 WeakPolarHBondContact O-CD2 3.39Å; V336-F340 PolarHBondContact O-N 3.34Å; V336-F340 VanDerWaalsContact O-N 3.17Å; L337-F340 PolarHBondContact O-N 2.91Å; E338-F340 PolarHBondContact O-N 2.92Å; F340-T342 PolarHBondContact O-N 2.84Å; F340-L343 PolarHBondContact O-N 2.85Å; F340-L344 WeakPolarHBondContact O-CB 3.32Å; F340-L344 WeakPolarHBondContact O-CG 3.41Å; F340-L344 PolarHBondContact O-N 3.16Å; F340-I388 HydrophobicContact CD1-CB 4.39Å; F340-I388 HydrophobicContact CD1-CG1 4.11Å; F340-I388 HydrophobicContact CD1-CG2 3.94Å; F340-I388 HydrophobicContact CE1-CB 4.1Å; F340-I388 HydrophobicContact CE1-CG1 4.29Å; F340-I388 HydrophobicContact CE1-CG2 3.61Å; F340-F391 HydrophobicContact CD2-CD1 4.02Å; F340-F391 AromaticContact CD2-CE1 3.89Å; F340-F391 HydrophobicContact CD2-CE1 3.89Å; F340-F391 HydrophobicContact CE1-CD1 4.12Å; F340-F391 AromaticContact CE2-CD1 3.28Å; F340-F391 HydrophobicContact CE2-CD1 3.28Å; F340-F391 AromaticContact CE2-CE1 3.36Å; F340-F391 HydrophobicContact CE2-CE1 3.36Å; F340-F391 HydrophobicContact CE2-CG 4.26Å; F340-F391 HydrophobicContact CE2-CZ 4.37Å; F340-F391 HydrophobicContact CZ-CB 4.23Å; F340-F391 AromaticContact CZ-CD1 3.34Å; F340-F391 HydrophobicContact CZ-CD1 3.34Å; F340-F391 AromaticContact CZ-CE1 3.94Å; F340-F391 HydrophobicContact CZ-CE1 3.94Å; F340-F391 HydrophobicContact CZ-CG 4.02Å; F340-L395 HydrophobicContact CE2-CD1 3.95Å; F340-L395 HydrophobicContact CZ-CD1 4.28Å; F340-V403 HydrophobicContact CD1-CG1 3.81Å; F340-V403 HydrophobicContact CD2-CB 4.38Å; F340-V403 HydrophobicContact CD2-CG1 3.76Å; F340-V403 HydrophobicContact CD2-CG2 3.63Å; F340-V403 HydrophobicContact CE1-CG1 3.63Å; F340-V403 HydrophobicContact CE2-CB 4.18Å; F340-V403 HydrophobicContact CE2-CG1 3.6Å; F340-V403 HydrophobicContact CE2-CG2 3.43Å; F340-V403 VanDerWaalsContact CE2-CG2 3.43Å; F340-V403 HydrophobicContact CG-CG1 3.9Å; F340-V403 HydrophobicContact CG-CG2 4.5Å; F340-V403 HydrophobicContact CZ-CB 4.46Å; F340-V403 HydrophobicContact CZ-CG1 3.54Å; F340-V403 HydrophobicContact CZ-CG2 4.14Å; F340-F406 HydrophobicContact CB-CD1 4.21Å; F340-F406 HydrophobicContact CB-CE1 4.15Å; F340-V445 HydrophobicContact CE1-CG2 4.34Å |
| 341 | N | 91.9 | Very high | 85.2 | Confident | 68 Ų | 68 | 29.1 Ų | 29.1 | 36% | 0.364 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -60.1 | -46.1 | 179.8 | -172.7 | 55.9 | 0 | 0 | 0 | 111.9 | L337 E338 V339 K345 F406 | L337-N341 WeakPolarHBondContact O-CB 3.13Å; L337-N341 PolarHBondContact O-N 3.18Å; E338-N341 PolarHBondContact O-N 3.48Å; V339-N341 PolarHBondContact O-N 3.42Å; N341-K345 VanDerWaalsContact O-CB 3.27Å; N341-K345 WeakPolarHBondContact O-CB 3.5Å; N341-K345 PolarHBondContact O-N 2.98Å; N341-F406 HydrophobicContact CB-CE1 4.09Å; N341-F406 HydrophobicContact CB-CZ 3.73Å |
| 342 | T | 92.4 | Very high | 86.5 | Confident | 10 Ų | 10 | 29.9 Ų | 29.9 | 6% | 0.061 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.6 | -45.2 | 178.1 | -60.6 | 0 | 0 | 0 | 0 | 111.2 | L299 E338 V339 F340 L344 K345 H346 | L299-T342 HydrophobicContact CB-CG2 4.49Å; L299-T342 HydrophobicContact CD2-CG2 3.89Å; E338-T342 WeakPolarHBondContact O-CB 3.38Å; E338-T342 PolarHBondContact O-N 3.29Å; E338-T342 PolarHBondContact O-OG1 2.87Å; V339-T342 PolarHBondContact O-N 2.88Å; F340-T342 PolarHBondContact O-N 2.84Å; T342-L344 PolarHBondContact O-N 3.3Å; T342-K345 WeakPolarHBondContact O-CB 3.28Å; T342-K345 PolarHBondContact O-N 3.49Å; T342-H346 PolarHBondContact O-CD2 2.86Å; T342-H346 VanDerWaalsContact O-CD2 3.27Å; T342-H346 PolarHBondContact O-N 3.24Å |
| 343 | L | 94.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.3 | -47.2 | 176.3 | -74.6 | 176.2 | 0 | 0 | 0 | 112 | V317 L320 V339 F340 K345 H346 L347 I384 T387 I388 | V317-L343 HydrophobicContact CG1-CD2 4.38Å; L320-L343 HydrophobicContact CD2-CD1 4.48Å; L320-L343 HydrophobicContact CD2-CD2 3.8Å; L320-L343 HydrophobicContact CD2-CG 4.24Å; V339-L343 HydrophobicContact CG1-CD1 3.72Å; V339-L343 HydrophobicContact CG1-CG 4.35Å; V339-L343 WeakPolarHBondContact O-CB 3.36Å; V339-L343 VanDerWaalsContact O-CG 3.25Å; V339-L343 WeakPolarHBondContact O-CG 3.48Å; V339-L343 PolarHBondContact O-N 2.91Å; F340-L343 PolarHBondContact O-N 2.85Å; L343-K345 VanDerWaalsContact C-N 3.33Å; L343-K345 PolarHBondContact O-N 3.34Å; L343-H346 PolarHBondContact O-N 3Å; L343-L347 WeakPolarHBondContact O-CB 3.26Å; L343-L347 PolarHBondContact O-N 2.98Å; L343-I384 HydrophobicContact CB-CG2 3.99Å; L343-I384 HydrophobicContact CD2-CG1 4.27Å; L343-I384 HydrophobicContact CD2-CG2 4.21Å; L343-T387 HydrophobicContact CD1-CG2 3.78Å; L343-T387 HydrophobicContact CD2-CG2 4.42Å; L343-I388 HydrophobicContact CB-CD1 4.09Å; L343-I388 HydrophobicContact CB-CG1 3.96Å; L343-I388 HydrophobicContact CD1-CG1 3.76Å; L343-I388 HydrophobicContact CG-CG1 4.49Å |
| 344 | L | 93.3 | Very high | 88.5 | Confident | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.016 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.5 | -33.6 | 178 | -63.8 | 171.8 | 0 | 0 | 0 | 112.4 | F340 T342 L347 R348 I388 F406 I407 K410 L438 | F340-L344 WeakPolarHBondContact O-CB 3.32Å; F340-L344 WeakPolarHBondContact O-CG 3.41Å; F340-L344 PolarHBondContact O-N 3.16Å; T342-L344 PolarHBondContact O-N 3.3Å; L344-L347 HydrophobicContact CD2-CD2 4.43Å; L344-L347 PolarHBondContact O-N 3.11Å; L344-R348 WeakPolarHBondContact O-CG 3.46Å; L344-R348 PolarHBondContact O-N 3.22Å; L344-R348 VanDerWaalsContact O-N 3.15Å; L344-I388 HydrophobicContact CD2-CD1 3.63Å; L344-I388 HydrophobicContact CG-CD1 4.26Å; L344-F406 HydrophobicContact CD1-CD1 4.1Å; L344-F406 HydrophobicContact CD1-CE1 3.86Å; L344-I407 HydrophobicContact CD1-CG1 3.93Å; L344-I407 HydrophobicContact CD2-CG1 4.39Å; L344-K410 HydrophobicContact CD1-CG 4.43Å; L344-L438 HydrophobicContact CD2-CD2 3.58Å |
| 345 | K | 92.4 | Very high | 88.9 | Confident | 76 Ų | 76 | 29 Ų | 29 | 33% | 0.33 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -62.2 | -50.4 | 171.9 | 174 | -167.7 | 170.8 | -159.7 | 0 | 110.5 | D303 N341 T342 L343 L347 R348 M349 | D303-K345 IonicContact OD1-NZ 3.81Å; D303-K345 PolarHBondContact OD1-NZ 3.2Å; D303-K345 IonicContact OD2-NZ 3.13Å; D303-K345 PolarHBondContact OD2-NZ 3.46Å; N341-K345 VanDerWaalsContact O-CB 3.27Å; N341-K345 WeakPolarHBondContact O-CB 3.5Å; N341-K345 PolarHBondContact O-N 2.98Å; T342-K345 WeakPolarHBondContact O-CB 3.28Å; T342-K345 PolarHBondContact O-N 3.49Å; L343-K345 VanDerWaalsContact C-N 3.33Å; L343-K345 PolarHBondContact O-N 3.34Å; K345-L347 VanDerWaalsContact C-N 3.3Å; K345-L347 PolarHBondContact O-N 2.88Å; K345-R348 PolarHBondContact O-N 3.15Å; K345-M349 HydrophobicContact CG-SD 4.33Å; K345-M349 WeakPolarHBondContact O-CG 3.24Å; K345-M349 PolarHBondContact O-N 3.49Å |
| 346 | H | 92.3 | Very high | 88.4 | Confident | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.009 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.4 | -32.5 | 177.7 | -82.9 | -86.8 | 0 | 0 | 0 | 112.9 | L302 D303 T342 L343 M349 S350 I384 | L302-H346 PolarHBondContact O-CE1 3.44Å; D303-H346 IonicContact OD1-CD2 3.16Å; D303-H346 IonicContact OD1-CE1 3.56Å; D303-H346 IonicContact OD1-NE2 3.03Å; D303-H346 PolarHBondContact OD1-NE2 2.93Å; T342-H346 PolarHBondContact O-CD2 2.86Å; T342-H346 VanDerWaalsContact O-CD2 3.27Å; T342-H346 PolarHBondContact O-N 3.24Å; L343-H346 PolarHBondContact O-N 3Å; H346-M349 PolarHBondContact O-N 2.87Å; H346-S350 WeakPolarHBondContact O-CB 3.48Å; H346-S350 PolarHBondContact O-N 3.42Å; H346-I384 HydrophobicContact CB-CD1 3.79Å |
| 347 | L | 92.7 | Very high | 87.2 | Confident | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.1 | -44.7 | 173.5 | -171.4 | 60.8 | 0 | 0 | 0 | 111.3 | L343 L344 K345 S350 V351 Q381 I384 I385 M437 L438 S441 | L343-L347 WeakPolarHBondContact O-CB 3.26Å; L343-L347 PolarHBondContact O-N 2.98Å; L344-L347 HydrophobicContact CD2-CD2 4.43Å; L344-L347 PolarHBondContact O-N 3.11Å; K345-L347 VanDerWaalsContact C-N 3.3Å; K345-L347 PolarHBondContact O-N 2.88Å; L347-S350 PolarHBondContact O-N 3.04Å; L347-V351 WeakPolarHBondContact O-CG2 3.33Å; L347-V351 PolarHBondContact O-N 3.35Å; L347-V351 VanDerWaalsContact O-N 3.13Å; L347-Q381 HydrophobicContact CD1-CB 3.95Å; L347-Q381 HydrophobicContact CD1-CG 4.09Å; L347-I384 HydrophobicContact CB-CD1 4.33Å; L347-I384 HydrophobicContact CB-CG2 4.06Å; L347-I384 HydrophobicContact CD1-CB 4.34Å; L347-I384 HydrophobicContact CD1-CG2 4.23Å; L347-I384 HydrophobicContact CD2-CG2 4.48Å; L347-I385 HydrophobicContact CD1-CG1 4.35Å; L347-I385 HydrophobicContact CD2-CG1 4.48Å; L347-M437 HydrophobicContact CD1-CB 4.16Å; L347-M437 HydrophobicContact CD1-CG 4.45Å; L347-M437 HydrophobicContact CD2-CB 3.9Å; L347-M437 HydrophobicContact CG-CB 4.01Å; L347-L438 HydrophobicContact CD2-CD2 4.34Å; L347-S441 WeakPolarHBondContact CD2-OG 3.27Å |
| 348 | R | 89.4 | Confident | 85.7 | Confident | 25 Ų | 25 | 33 Ų | 33 | 9% | 0.094 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.1 | -46.4 | 174.7 | -69.9 | 173.4 | -173.1 | -92.2 | -5.8 | 112.1 | L344 K345 S350 V351 D352 K410 I434 | L344-R348 WeakPolarHBondContact O-CG 3.46Å; L344-R348 PolarHBondContact O-N 3.22Å; L344-R348 VanDerWaalsContact O-N 3.15Å; K345-R348 PolarHBondContact O-N 3.15Å; R348-S350 VanDerWaalsContact C-N 3.25Å; R348-S350 PolarHBondContact O-N 2.87Å; R348-V351 WeakPolarHBondContact O-CB 3.33Å; R348-V351 PolarHBondContact O-N 3.35Å; R348-V351 VanDerWaalsContact O-N 3.08Å; R348-D352 PolarHBondContact O-N 3.44Å; R348-K410 PolarHBondContact NH2-O 3.42Å; R348-I434 HydrophobicContact CG-CD1 4.41Å; R348-I434 HydrophobicContact CG-CG2 4.38Å |
| 349 | M | 89.2 | Confident | 84 | Confident | 39 Ų | 39 | 33.1 Ų | 33.1 | 19% | 0.192 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57.9 | -40.7 | 177.6 | -67.5 | 179.6 | 67.1 | 0 | 0 | 111.6 | N306 K345 H346 V351 D352 F353 | N306-M349 HydrophobicContact CB-CE 3.59Å; N306-M349 HydrophobicContact CB-SD 4.47Å; K345-M349 HydrophobicContact CG-SD 4.33Å; K345-M349 WeakPolarHBondContact O-CG 3.24Å; K345-M349 PolarHBondContact O-N 3.49Å; H346-M349 PolarHBondContact O-N 2.87Å; M349-V351 PolarHBondContact O-N 2.93Å; M349-D352 PolarHBondContact O-N 2.93Å; M349-F353 HydrophobicContact CB-CE2 4.24Å; M349-F353 HydrophobicContact CE-CE2 4.48Å; M349-F353 HydrophobicContact CE-CZ 4.25Å; M349-F353 WeakPolarHBondContact O-CD2 3.43Å; M349-F353 VanDerWaalsContact O-CG 3.31Å; M349-F353 WeakPolarHBondContact O-CG 3.47Å; M349-F353 PolarHBondContact O-N 3.24Å |
| 350 | S | 90.6 | Very high | 82 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.3 | -37.6 | 176.4 | -175.7 | 0 | 0 | 0 | 0 | 112.8 | H346 L347 R348 F353 E354 E377 Q381 | H346-S350 WeakPolarHBondContact O-CB 3.48Å; H346-S350 PolarHBondContact O-N 3.42Å; L347-S350 PolarHBondContact O-N 3.04Å; R348-S350 VanDerWaalsContact C-N 3.25Å; R348-S350 PolarHBondContact O-N 2.87Å; S350-F353 PolarHBondContact O-N 2.89Å; S350-E354 PolarHBondContact O-N 2.86Å; S350-E354 VanDerWaalsContact O-N 3.09Å; S350-E377 WeakPolarHBondContact CA-OE2 3.43Å; S350-E377 WeakPolarHBondContact CB-OE2 3.47Å; S350-E377 WeakPolarHBondContact OG-CB 3.42Å; S350-E377 PolarHBondContact OG-O 3.49Å; S350-E377 PolarHBondContact OG-OE2 2.91Å; S350-Q381 WeakPolarHBondContact OG-CG 3.48Å |
| 351 | V | 88.3 | Confident | 79.9 | Confident | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.006 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65 | -42.4 | 171.7 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | L347 R348 M349 F353 E354 L355 R433 I434 M437 | L347-V351 WeakPolarHBondContact O-CG2 3.33Å; L347-V351 PolarHBondContact O-N 3.35Å; L347-V351 VanDerWaalsContact O-N 3.13Å; R348-V351 WeakPolarHBondContact O-CB 3.33Å; R348-V351 PolarHBondContact O-N 3.35Å; R348-V351 VanDerWaalsContact O-N 3.08Å; M349-V351 PolarHBondContact O-N 2.93Å; V351-F353 VanDerWaalsContact C-N 3.33Å; V351-F353 PolarHBondContact O-N 3.29Å; V351-E354 PolarHBondContact O-N 3.46Å; V351-L355 HydrophobicContact CG1-CD1 3.9Å; V351-L355 HydrophobicContact CG1-CG 4.47Å; V351-L355 VanDerWaalsContact O-CG 3.31Å; V351-L355 WeakPolarHBondContact O-CG 3.5Å; V351-L355 PolarHBondContact O-N 3.26Å; V351-L355 VanDerWaalsContact O-N 3.1Å; V351-R433 HydrophobicContact CB-CG 4.38Å; V351-R433 HydrophobicContact CG1-CB 3.77Å; V351-R433 HydrophobicContact CG1-CG 3.55Å; V351-R433 HydrophobicContact CG2-CG 3.94Å; V351-I434 HydrophobicContact CB-CG1 4.22Å; V351-I434 HydrophobicContact CG1-CG1 3.86Å; V351-M437 HydrophobicContact CG2-CG 3.94Å |
| 352 | D | 85.3 | Confident | 77.8 | Confident | 64 Ų | 64 | 53.9 Ų | 53.9 | 34% | 0.342 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.7 | -39 | 177.3 | -67.6 | -27.1 | 0 | 0 | 0 | 111.9 | R348 M349 L355 G356 I426 | R348-D352 PolarHBondContact O-N 3.44Å; M349-D352 PolarHBondContact O-N 2.93Å; D352-L355 PolarHBondContact O-N 3.11Å; D352-G356 PolarHBondContact O-N 3.42Å; D352-I426 WeakPolarHBondContact OD1-CD1 3.48Å |
| 353 | F | 86.1 | Confident | 75.6 | Confident | 76 Ų | 76 | 58.4 Ų | 58.4 | 33% | 0.333 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.3 | -41.4 | 174.6 | -65.4 | -42 | 0 | 0 | 0 | 112.6 | N306 M349 S350 V351 L355 G356 D357 E377 | N306-F353 WeakPolarHBondContact O-CE2 3.45Å; N306-F353 WeakPolarHBondContact O-CZ 3.36Å; M349-F353 HydrophobicContact CB-CE2 4.24Å; M349-F353 HydrophobicContact CE-CE2 4.48Å; M349-F353 HydrophobicContact CE-CZ 4.25Å; M349-F353 WeakPolarHBondContact O-CD2 3.43Å; M349-F353 VanDerWaalsContact O-CG 3.31Å; M349-F353 WeakPolarHBondContact O-CG 3.47Å; M349-F353 PolarHBondContact O-N 3.24Å; S350-F353 PolarHBondContact O-N 2.89Å; V351-F353 VanDerWaalsContact C-N 3.33Å; V351-F353 PolarHBondContact O-N 3.29Å; F353-L355 VanDerWaalsContact C-N 3.33Å; F353-L355 PolarHBondContact O-N 2.99Å; F353-G356 PolarHBondContact O-N 3.15Å; F353-D357 PolarHBondContact O-N 2.87Å; F353-D357 VanDerWaalsContact O-N 3.07Å; F353-E377 HydrophobicContact CB-CG 4.06Å; F353-E377 WeakPolarHBondContact CB-OE1 3.3Å |
| 354 | E | 85 | Confident | 73 | Confident | 22 Ų | 22 | 62.5 Ų | 62.5 | 10% | 0.103 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.2 | -41.6 | 176.2 | -177.4 | 175.2 | -160.1 | 0 | 0 | 111.7 | S350 V351 S358 E377 R378 Q381 R433 | S350-E354 PolarHBondContact O-N 2.86Å; S350-E354 VanDerWaalsContact O-N 3.09Å; V351-E354 PolarHBondContact O-N 3.46Å; E354-S358 PolarHBondContact O-N 2.96Å; E354-S358 PolarHBondContact O-OG 3.03Å; E354-E377 HydrophobicContact CB-CB 4.22Å; E354-E377 HydrophobicContact CB-CG 4.34Å; E354-R378 IonicContact OE1-NE 4Å; E354-R378 PolarHBondContact OE1-NE 3.49Å; E354-Q381 PolarHBondContact OE2-NE2 3.37Å; E354-R433 IonicContact OE1-NH2 2.57Å; E354-R433 IonicContact OE2-CZ 3.91Å; E354-R433 IonicContact OE2-NE 3.18Å; E354-R433 PolarHBondContact OE2-NE 3.15Å; E354-R433 IonicContact OE2-NH2 3.63Å |
| 355 | L | 79.8 | Confident | 70.4 | Confident | 48 Ų | 48 | 68.1 Ų | 68.1 | 25% | 0.251 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -74.3 | -35.4 | 178.7 | -63.7 | 167.5 | 0 | 0 | 0 | 112.6 | V351 D352 F353 S358 S359 I426 | V351-L355 HydrophobicContact CG1-CD1 3.9Å; V351-L355 HydrophobicContact CG1-CG 4.47Å; V351-L355 VanDerWaalsContact O-CG 3.31Å; V351-L355 WeakPolarHBondContact O-CG 3.5Å; V351-L355 PolarHBondContact O-N 3.26Å; V351-L355 VanDerWaalsContact O-N 3.1Å; D352-L355 PolarHBondContact O-N 3.11Å; F353-L355 VanDerWaalsContact C-N 3.33Å; F353-L355 PolarHBondContact O-N 2.99Å; L355-S358 PolarHBondContact O-N 3.32Å; L355-S359 PolarHBondContact O-N 3.13Å; L355-S359 VanDerWaalsContact O-N 3.17Å; L355-S359 PolarHBondContact O-OG 3.4Å; L355-I426 HydrophobicContact CD1-CG2 4.37Å |
| 356 | G | 70.7 | Confident | 67.7 | Low | 35 Ų | 35 | 69.4 Ų | 69.4 | 36% | 0.361 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65.5 | -40.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | D352 F353 S359 R360 | D352-G356 PolarHBondContact O-N 3.42Å; F353-G356 PolarHBondContact O-N 3.15Å; G356-S359 PolarHBondContact O-N 2.6Å; G356-R360 PolarHBondContact O-N 3.45Å |
| 357 | D | 60 | Low | 65.5 | Low | 71 Ų | 71 | 76.4 Ų | 76.4 | 38% | 0.38 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -70 | -36.4 | 177.1 | -161.6 | 37.9 | 0 | 0 | 0 | 111.7 | F353 S359 R360 R361 | F353-D357 PolarHBondContact O-N 2.87Å; F353-D357 VanDerWaalsContact O-N 3.07Å; D357-S359 VanDerWaalsContact C-N 3.3Å; D357-S359 PolarHBondContact O-N 2.7Å; D357-R360 PolarHBondContact O-N 3.37Å; D357-R361 WeakPolarHBondContact O-CG 3.47Å; D357-R361 PolarHBondContact O-N 2.91Å; D357-R361 IonicContact OD2-CZ 3.86Å; D357-R361 IonicContact OD2-NE 3.66Å; D357-R361 PolarHBondContact OD2-NE 3.29Å; D357-R361 IonicContact OD2-NH2 3.96Å; D357-R361 PolarHBondContact OD2-NH2 2.82Å |
| 358 | S | 54.6 | Low | 62.8 | Low | 70 Ų | 70 | 81 Ų | 81 | 49% | 0.49 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.4 | -36.3 | 175.4 | -58.8 | 0 | 0 | 0 | 0 | 112.5 | E354 L355 | E354-S358 PolarHBondContact O-N 2.96Å; E354-S358 PolarHBondContact O-OG 3.03Å; L355-S358 PolarHBondContact O-N 3.32Å |
| 359 | S | 52.1 | Low | 60.3 | Low | 84 Ų | 84 | 85 Ų | 85 | 59% | 0.587 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -74 | -29 | 179.7 | -58.3 | 0 | 0 | 0 | 0 | 113.3 | L355 G356 D357 | L355-S359 PolarHBondContact O-N 3.13Å; L355-S359 VanDerWaalsContact O-N 3.17Å; L355-S359 PolarHBondContact O-OG 3.4Å; G356-S359 PolarHBondContact O-N 2.6Å; D357-S359 VanDerWaalsContact C-N 3.3Å; D357-S359 PolarHBondContact O-N 2.7Å |
| 360 | R | 49.4 | Very low | 57.8 | Low | 200 Ų | 200 | 90 Ų | 90 | 76% | 0.755 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -78.9 | -28.2 | 177.8 | -72.1 | -179.9 | 177.4 | 177.1 | 0.2 | 113.3 | G356 D357 S363 | G356-R360 PolarHBondContact O-N 3.45Å; D357-R360 PolarHBondContact O-N 3.37Å; R360-S363 PolarHBondContact O-OG 2.75Å |
| 361 | R | 48.4 | Very low | 55.1 | Low | 152 Ų | 152 | 101.3 Ų | 101.3 | 57% | 0.574 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -74.4 | -22.2 | 178.5 | -70.3 | -177.1 | -171.7 | -172.2 | 6.9 | 113.8 | D357 S363 S364 | D357-R361 WeakPolarHBondContact O-CG 3.47Å; D357-R361 PolarHBondContact O-N 2.91Å; D357-R361 IonicContact OD2-CZ 3.86Å; D357-R361 IonicContact OD2-NE 3.66Å; D357-R361 PolarHBondContact OD2-NE 3.29Å; D357-R361 IonicContact OD2-NH2 3.96Å; D357-R361 PolarHBondContact OD2-NH2 2.82Å; R361-S363 PolarHBondContact O-N 3.01Å; R361-S364 PolarHBondContact O-N 3.16Å |
| 362 | N | 46.3 | Very low | 52.9 | Low | 152 Ų | 152 | 105 Ų | 105 | 81% | 0.813 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | -3.7 | 175.7 | -87.8 | 5.9 | 0 | 0 | 0 | 114.3 | ||
| 363 | S | 47.7 | Very low | 50.8 | Low | 105 Ų | 105 | 112.8 Ų | 112.8 | 73% | 0.734 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | -7.1 | 178.4 | -42.6 | 0 | 0 | 0 | 0 | 114.1 | R360 R361 | R360-S363 PolarHBondContact O-OG 2.75Å; R361-S363 PolarHBondContact O-N 3.01Å |
| 364 | S | 40.2 | Very low | 49.4 | Very low | 85 Ų | 85 | 115.9 Ų | 115.9 | 59% | 0.594 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -139.6 | 110.1 | -179 | 57.3 | 0 | 0 | 0 | 0 | 110.9 | R361 | R361-S364 PolarHBondContact O-N 3.16Š|
| 365 | S | 38.2 | Very low | 48.7 | Very low | 121 Ų | 121 | 116.4 Ų | 116.4 | 85% | 0.846 | 66% | 0.656 | S | S | * | * | trans | -52 | 129 | -179.2 | 43.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 366 | S | 36.1 | Very low | 48.9 | Very low | 103 Ų | 103 | 118.9 Ų | 118.9 | 72% | 0.72 | 67% | 0.67 | S | S | * | * | trans | -170.5 | 117 | 135.9 | 21.7 | 0 | 0 | 0 | 0 | 111.7 | S368 | S366-S368 PolarHBondContact O-N 3.23Š| ||
| 367 | V | 44.7 | Very low | 49.8 | Very low | 150 Ų | 150 | 118 Ų | 118 | 91% | 0.909 | 66% | 0.657 | S | S | * | * | trans | -80.5 | 49.2 | -176 | -172.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 368 | S | 37.6 | Very low | 51.2 | Low | 98 Ų | 98 | 118.9 Ų | 118.9 | 69% | 0.685 | 65% | 0.654 | S | S | * | * | trans | -141.9 | 32.1 | -174.1 | 61.4 | 0 | 0 | 0 | 0 | 116.9 | S366 | S366-S368 PolarHBondContact O-N 3.23Š| ||
| 369 | S | 35.2 | Very low | 52.9 | Low | 110 Ų | 110 | 119.1 Ų | 119.1 | 77% | 0.769 | 65% | 0.649 | S | S | * | * | trans | -153.5 | 62.3 | 164.2 | -71.1 | 0 | 0 | 0 | 0 | 112.5 | R371 | S369-R371 PolarHBondContact O-N 3.07Š| ||
| 370 | V | 37.4 | Very low | 54.8 | Low | 144 Ų | 144 | 115.1 Ų | 115.1 | 87% | 0.873 | 62% | 0.622 | S | S | * | * | trans | -85.5 | 25.3 | 173.8 | -176.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 371 | R | 35 | Very low | 56.9 | Low | 237 Ų | 237 | 105.7 Ų | 105.7 | 89% | 0.894 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -122.1 | 101.7 | 168.7 | -79.6 | -171.9 | 176.7 | -164.5 | -0.5 | 109.9 | S369 R373 | S369-R371 PolarHBondContact O-N 3.07Å; R371-R373 PolarHBondContact O-N 3.42Å |
| 372 | G | 40.8 | Very low | 59 | Low | 78 Ų | 78 | 103.2 Ų | 103.2 | 80% | 0.804 | 58% | 0.584 | S | S | * | * | trans | 35.3 | 78.9 | 153.7 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 373 | R | 41.2 | Very low | 61.3 | Low | 227 Ų | 227 | 96.4 Ų | 96.4 | 86% | 0.857 | 55% | 0.549 | S | S | * | . | trans | -91.7 | 100.5 | 138.7 | -76.4 | -172.6 | -172.7 | -175.6 | 2.8 | 106 | R371 S375 | R371-R373 PolarHBondContact O-N 3.42Å; R373-S375 PolarHBondContact O-N 3.11Å | ||
| 374 | E | 56.6 | Low | 63.6 | Low | 141 Ų | 141 | 91.4 Ų | 91.4 | 66% | 0.659 | 52% | 0.515 | S | S | * | . | trans | -51 | 132.3 | 166.5 | -67.7 | -172.7 | 142.6 | 0 | 0 | 107.9 | D376 R378 | E374-D376 PolarHBondContact O-N 3.43Å; E374-R378 IonicContact OE1-NH1 2.7Å | ||
| 375 | S | 71.7 | Confident | 66.2 | Low | 33 Ų | 33 | 88.2 Ų | 88.2 | 23% | 0.231 | 49% | 0.491 | C | S | . | . | trans | -57.8 | 130.4 | 176.1 | 178.2 | 0 | 0 | 0 | 0 | 108.7 | R373 E377 R378 | R373-S375 PolarHBondContact O-N 3.11Å; S375-E377 PolarHBondContact O-N 2.96Å; S375-E377 WeakPolarHBondContact OG-CB 3.4Å; S375-E377 PolarHBondContact OG-N 3.47Å; S375-R378 VanDerWaalsContact O-CB 3.27Å; S375-R378 WeakPolarHBondContact O-CB 3.07Å; S375-R378 WeakPolarHBondContact O-CG 3.47Å; S375-R378 PolarHBondContact O-N 3.44Å | ||
| 376 | D | 82.9 | Confident | 68.8 | Low | 100 Ų | 100 | 87.4 Ų | 87.4 | 54% | 0.535 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -21.5 | 175.6 | -67.7 | -32.1 | 0 | 0 | 0 | 111.4 | P310 E374 R378 I379 | P310-D376 HydrophobicContact CB-CB 4.09Å; P310-D376 WeakPolarHBondContact CB-O 3.41Å; P310-D376 HydrophobicContact CG-CB 4Å; E374-D376 PolarHBondContact O-N 3.43Å; D376-R378 PolarHBondContact O-N 3.05Å; D376-I379 WeakPolarHBondContact O-CB 3.33Å; D376-I379 PolarHBondContact O-N 3.28Å; D376-I379 VanDerWaalsContact O-N 3.16Å |
| 377 | E | 89.6 | Confident | 71.5 | Confident | 17 Ų | 17 | 82.6 Ų | 82.6 | 8% | 0.079 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -60.1 | -28 | 170.9 | -69.7 | -64 | 157.4 | 0 | 0 | 113 | R313 S350 F353 E354 S375 I379 V380 Q381 | R313-E377 IonicContact CZ-OE1 3.33Å; R313-E377 IonicContact CZ-OE2 3.24Å; R313-E377 IonicContact NH1-OE1 3.91Å; R313-E377 IonicContact NH1-OE2 3.17Å; R313-E377 PolarHBondContact NH1-OE2 3.35Å; R313-E377 IonicContact NH2-OE1 3.74Å; R313-E377 PolarHBondContact NH2-OE1 3.44Å; R313-E377 IonicContact NH2-OE2 3.2Å; R313-E377 PolarHBondContact NH2-OE2 2.84Å; R313-E377 VanDerWaalsContact NH2-OE2 3.07Å; S350-E377 WeakPolarHBondContact CA-OE2 3.43Å; S350-E377 WeakPolarHBondContact CB-OE2 3.47Å; S350-E377 WeakPolarHBondContact OG-CB 3.42Å; S350-E377 PolarHBondContact OG-O 3.49Å; S350-E377 PolarHBondContact OG-OE2 2.91Å; F353-E377 HydrophobicContact CB-CG 4.06Å; F353-E377 WeakPolarHBondContact CB-OE1 3.3Å; E354-E377 HydrophobicContact CB-CB 4.22Å; E354-E377 HydrophobicContact CB-CG 4.34Å; S375-E377 PolarHBondContact O-N 2.96Å; S375-E377 WeakPolarHBondContact OG-CB 3.4Å; S375-E377 PolarHBondContact OG-N 3.47Å; E377-I379 PolarHBondContact O-N 3.44Å; E377-V380 WeakPolarHBondContact O-CA 3.47Å; E377-V380 WeakPolarHBondContact O-CB 3.36Å; E377-V380 PolarHBondContact O-N 3.34Å; E377-Q381 WeakPolarHBondContact O-CG 3.47Å; E377-Q381 PolarHBondContact O-N 2.87Å |
| 378 | R | 88.9 | Confident | 73.9 | Confident | 89 Ų | 89 | 75.4 Ų | 75.4 | 34% | 0.336 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62 | -28.5 | 176.7 | -68.1 | -177.2 | 177.2 | -164 | -2.8 | 112.3 | E354 E374 S375 D376 V380 Q381 N382 | E354-R378 IonicContact OE1-NE 4Å; E354-R378 PolarHBondContact OE1-NE 3.49Å; E374-R378 IonicContact OE1-NH1 2.7Å; S375-R378 VanDerWaalsContact O-CB 3.27Å; S375-R378 WeakPolarHBondContact O-CB 3.07Å; S375-R378 WeakPolarHBondContact O-CG 3.47Å; S375-R378 PolarHBondContact O-N 3.44Å; D376-R378 PolarHBondContact O-N 3.05Å; R378-V380 VanDerWaalsContact C-N 3.31Å; R378-Q381 PolarHBondContact O-N 3.28Å; R378-N382 VanDerWaalsContact O-CB 3.29Å; R378-N382 WeakPolarHBondContact O-CB 3.49Å; R378-N382 PolarHBondContact O-N 2.93Å; R378-N382 PolarHBondContact O-ND2 3.45Å |
| 379 | I | 91.1 | Very high | 76.4 | Confident | 75 Ų | 75 | 71 Ų | 71 | 39% | 0.385 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.2 | -44.5 | 174.1 | -57.1 | 173.4 | 0 | 0 | 0 | 109.4 | A314 D376 E377 A383 | A314-I379 HydrophobicContact CB-CG2 3.83Å; D376-I379 WeakPolarHBondContact O-CB 3.33Å; D376-I379 PolarHBondContact O-N 3.28Å; D376-I379 VanDerWaalsContact O-N 3.16Å; E377-I379 PolarHBondContact O-N 3.44Å; I379-A383 VanDerWaalsContact O-CB 3.28Å; I379-A383 WeakPolarHBondContact O-CB 3.46Å; I379-A383 PolarHBondContact O-N 2.91Å |
| 380 | V | 92.6 | Very high | 79 | Confident | 1 Ų | 1 | 70 Ų | 70 | 1% | 0.006 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66.2 | -46.9 | 176.3 | -177.2 | 0 | 0 | 0 | 0 | 110.8 | P310 R313 A314 E377 R378 N382 A383 I384 | P310-V380 HydrophobicContact CB-CG2 3.75Å; P310-V380 WeakPolarHBondContact O-CG2 3.47Å; R313-V380 HydrophobicContact CB-CG1 4.35Å; R313-V380 HydrophobicContact CB-CG2 4.06Å; A314-V380 HydrophobicContact CB-CG2 4.25Å; E377-V380 WeakPolarHBondContact O-CA 3.47Å; E377-V380 WeakPolarHBondContact O-CB 3.36Å; E377-V380 PolarHBondContact O-N 3.34Å; R378-V380 VanDerWaalsContact C-N 3.31Å; V380-N382 PolarHBondContact O-N 3.3Å; V380-A383 PolarHBondContact O-N 2.85Å; V380-I384 HydrophobicContact CG1-CD1 3.73Å; V380-I384 HydrophobicContact CG1-CG1 4.35Å; V380-I384 WeakPolarHBondContact O-CB 3.49Å; V380-I384 VanDerWaalsContact O-CG1 3.28Å; V380-I384 WeakPolarHBondContact O-CG1 3.24Å; V380-I384 PolarHBondContact O-N 3.37Å |
| 381 | Q | 93.3 | Very high | 81.5 | Confident | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57.1 | -48.5 | 179 | -64.7 | 166.9 | 9.5 | 0 | 0 | 111.1 | L347 S350 E354 E377 R378 I384 I385 M437 | L347-Q381 HydrophobicContact CD1-CB 3.95Å; L347-Q381 HydrophobicContact CD1-CG 4.09Å; S350-Q381 WeakPolarHBondContact OG-CG 3.48Å; E354-Q381 PolarHBondContact OE2-NE2 3.37Å; E377-Q381 WeakPolarHBondContact O-CG 3.47Å; E377-Q381 PolarHBondContact O-N 2.87Å; R378-Q381 PolarHBondContact O-N 3.28Å; Q381-I384 PolarHBondContact O-N 2.92Å; Q381-I385 VanDerWaalsContact O-CG1 3.28Å; Q381-I385 WeakPolarHBondContact O-CG1 3.45Å; Q381-I385 PolarHBondContact O-N 2.94Å; Q381-M437 HydrophobicContact CB-SD 4.09Å; Q381-M437 HydrophobicContact CG-SD 4.39Å |
| 382 | N | 92.8 | Very high | 84 | Confident | 100 Ų | 100 | 52 Ų | 52 | 54% | 0.535 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.7 | -43.8 | 179 | -71.6 | -19.7 | 0 | 0 | 0 | 112.1 | R378 V380 I384 I385 Q386 | R378-N382 VanDerWaalsContact O-CB 3.29Å; R378-N382 WeakPolarHBondContact O-CB 3.49Å; R378-N382 PolarHBondContact O-N 2.93Å; R378-N382 PolarHBondContact O-ND2 3.45Å; V380-N382 PolarHBondContact O-N 3.3Å; N382-I384 VanDerWaalsContact C-N 3.31Å; N382-I384 PolarHBondContact O-N 3.04Å; N382-I385 PolarHBondContact O-N 3.23Å; N382-Q386 VanDerWaalsContact O-CB 3.32Å; N382-Q386 WeakPolarHBondContact O-CB 3.42Å; N382-Q386 PolarHBondContact O-N 2.94Å |
| 383 | A | 94.1 | Very high | 86.2 | Confident | 10 Ų | 10 | 50.1 Ų | 50.1 | 8% | 0.083 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.6 | -44.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111 | A314 V317 I379 V380 Q386 T387 | A314-A383 HydrophobicContact CB-CB 4.32Å; V317-A383 HydrophobicContact CB-CB 4.38Å; V317-A383 HydrophobicContact CG1-CB 3.94Å; I379-A383 VanDerWaalsContact O-CB 3.28Å; I379-A383 WeakPolarHBondContact O-CB 3.46Å; I379-A383 PolarHBondContact O-N 2.91Å; V380-A383 PolarHBondContact O-N 2.85Å; A383-Q386 PolarHBondContact O-N 2.96Å; A383-T387 WeakPolarHBondContact O-CB 3.33Å; A383-T387 PolarHBondContact O-N 3.04Å; A383-T387 PolarHBondContact O-OG1 2.64Å |
| 384 | I | 95.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.2 | -47.9 | 177.4 | -69.6 | 170.3 | 0 | 0 | 0 | 111.5 | V317 L343 H346 L347 V380 Q381 N382 Q386 T387 I388 | V317-I384 HydrophobicContact CG1-CG1 4.01Å; V317-I384 HydrophobicContact CG2-CG1 3.91Å; L343-I384 HydrophobicContact CB-CG2 3.99Å; L343-I384 HydrophobicContact CD2-CG1 4.27Å; L343-I384 HydrophobicContact CD2-CG2 4.21Å; H346-I384 HydrophobicContact CB-CD1 3.79Å; L347-I384 HydrophobicContact CB-CD1 4.33Å; L347-I384 HydrophobicContact CB-CG2 4.06Å; L347-I384 HydrophobicContact CD1-CB 4.34Å; L347-I384 HydrophobicContact CD1-CG2 4.23Å; L347-I384 HydrophobicContact CD2-CG2 4.48Å; V380-I384 HydrophobicContact CG1-CD1 3.73Å; V380-I384 HydrophobicContact CG1-CG1 4.35Å; V380-I384 WeakPolarHBondContact O-CB 3.49Å; V380-I384 VanDerWaalsContact O-CG1 3.28Å; V380-I384 WeakPolarHBondContact O-CG1 3.24Å; V380-I384 PolarHBondContact O-N 3.37Å; Q381-I384 PolarHBondContact O-N 2.92Å; N382-I384 VanDerWaalsContact C-N 3.31Å; N382-I384 PolarHBondContact O-N 3.04Å; I384-Q386 VanDerWaalsContact C-N 3.29Å; I384-Q386 PolarHBondContact O-N 3.47Å; I384-T387 PolarHBondContact O-N 3.15Å; I384-I388 HydrophobicContact CG2-CD1 3.77Å; I384-I388 HydrophobicContact CG2-CG1 4.27Å; I384-I388 WeakPolarHBondContact O-CB 3.21Å; I384-I388 VanDerWaalsContact O-CG1 3.32Å; I384-I388 WeakPolarHBondContact O-CG1 3.33Å; I384-I388 PolarHBondContact O-N 3.19Å |
| 385 | I | 94.4 | Very high | 89.7 | Confident | 18 Ų | 18 | 37.1 Ų | 37.1 | 9% | 0.092 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.9 | -42.1 | 179.2 | -71.1 | 165.3 | 0 | 0 | 0 | 110.5 | L347 Q381 N382 I388 G389 M437 M444 | L347-I385 HydrophobicContact CD1-CG1 4.35Å; L347-I385 HydrophobicContact CD2-CG1 4.48Å; Q381-I385 VanDerWaalsContact O-CG1 3.28Å; Q381-I385 WeakPolarHBondContact O-CG1 3.45Å; Q381-I385 PolarHBondContact O-N 2.94Å; N382-I385 PolarHBondContact O-N 3.23Å; I385-I388 PolarHBondContact O-N 3.48Å; I385-G389 PolarHBondContact O-N 2.95Å; I385-M437 HydrophobicContact CD1-SD 3.87Å; I385-M444 HydrophobicContact CG2-CG 3.68Å |
| 386 | Q | 93.4 | Very high | 90.4 | Very high | 104 Ų | 104 | 38.6 Ų | 38.6 | 49% | 0.486 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63 | -44.4 | 175.4 | -175.6 | 178.4 | 0.4 | 0 | 0 | 111.6 | L321 N382 A383 I384 G389 F390 | L321-Q386 HydrophobicContact CD2-CG 4.45Å; N382-Q386 VanDerWaalsContact O-CB 3.32Å; N382-Q386 WeakPolarHBondContact O-CB 3.42Å; N382-Q386 PolarHBondContact O-N 2.94Å; A383-Q386 PolarHBondContact O-N 2.96Å; I384-Q386 VanDerWaalsContact C-N 3.29Å; I384-Q386 PolarHBondContact O-N 3.47Å; Q386-G389 PolarHBondContact O-N 2.89Å; Q386-F390 WeakPolarHBondContact O-CB 3.32Å; Q386-F390 PolarHBondContact O-N 2.89Å |
| 387 | T | 93.1 | Very high | 90.5 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.8 | -45.3 | 177.3 | -57.4 | 0 | 0 | 0 | 0 | 112.4 | V317 L321 L343 A383 I384 G389 F391 | V317-T387 WeakPolarHBondContact CG1-OG1 3.5Å; L321-T387 HydrophobicContact CB-CG2 4.03Å; L321-T387 HydrophobicContact CD1-CG2 4.47Å; L343-T387 HydrophobicContact CD1-CG2 3.78Å; L343-T387 HydrophobicContact CD2-CG2 4.42Å; A383-T387 WeakPolarHBondContact O-CB 3.33Å; A383-T387 PolarHBondContact O-N 3.04Å; A383-T387 PolarHBondContact O-OG1 2.64Å; I384-T387 PolarHBondContact O-N 3.15Å; T387-G389 VanDerWaalsContact C-N 3.33Å; T387-G389 PolarHBondContact O-N 3.14Å; T387-F391 WeakPolarHBondContact O-CB 3.26Å; T387-F391 PolarHBondContact O-N 3.37Å |
| 388 | I | 93.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.2 | -47.6 | 174.1 | -72.5 | 175.2 | 0 | 0 | 0 | 110.3 | F340 L343 L344 I384 I385 F391 G392 I407 V445 | F340-I388 HydrophobicContact CD1-CB 4.39Å; F340-I388 HydrophobicContact CD1-CG1 4.11Å; F340-I388 HydrophobicContact CD1-CG2 3.94Å; F340-I388 HydrophobicContact CE1-CB 4.1Å; F340-I388 HydrophobicContact CE1-CG1 4.29Å; F340-I388 HydrophobicContact CE1-CG2 3.61Å; L343-I388 HydrophobicContact CB-CD1 4.09Å; L343-I388 HydrophobicContact CB-CG1 3.96Å; L343-I388 HydrophobicContact CD1-CG1 3.76Å; L343-I388 HydrophobicContact CG-CG1 4.49Å; L344-I388 HydrophobicContact CD2-CD1 3.63Å; L344-I388 HydrophobicContact CG-CD1 4.26Å; I384-I388 HydrophobicContact CG2-CD1 3.77Å; I384-I388 HydrophobicContact CG2-CG1 4.27Å; I384-I388 WeakPolarHBondContact O-CB 3.21Å; I384-I388 VanDerWaalsContact O-CG1 3.32Å; I384-I388 WeakPolarHBondContact O-CG1 3.33Å; I384-I388 PolarHBondContact O-N 3.19Å; I385-I388 PolarHBondContact O-N 3.48Å; I388-F391 PolarHBondContact O-N 3.07Å; I388-G392 PolarHBondContact O-N 2.9Å; I388-I407 HydrophobicContact CG2-CD1 4.2Å; I388-V445 HydrophobicContact CG2-CG2 3.58Å |
| 389 | G | 91.2 | Very high | 90.1 | Very high | 6 Ų | 6 | 40.8 Ų | 40.8 | 6% | 0.062 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.4 | -52.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | I385 Q386 T387 F391 G392 G393 M444 | I385-G389 PolarHBondContact O-N 2.95Å; Q386-G389 PolarHBondContact O-N 2.89Å; T387-G389 VanDerWaalsContact C-N 3.33Å; T387-G389 PolarHBondContact O-N 3.14Å; G389-F391 VanDerWaalsContact C-N 3.32Å; G389-F391 PolarHBondContact O-N 3.43Å; G389-G392 PolarHBondContact O-N 3.44Å; G389-G393 PolarHBondContact O-N 3.34Å; G389-M444 VanDerWaalsContact CA-CB 3.49Å |
| 390 | F | 90 | Very high | 90 | Very high | 89 Ų | 89 | 37.9 Ų | 37.9 | 39% | 0.39 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62 | -42.7 | 178.6 | 179.6 | -85.4 | 0 | 0 | 0 | 111.1 | L321 A325 Q386 G393 N394 | L321-F390 HydrophobicContact CD1-CB 3.52Å; L321-F390 HydrophobicContact CD1-CD1 3.32Å; L321-F390 HydrophobicContact CD1-CD2 4.3Å; L321-F390 HydrophobicContact CD1-CE1 4.12Å; L321-F390 HydrophobicContact CD1-CG 3.44Å; L321-F390 VanDerWaalsContact CD1-CG 3.44Å; A325-F390 HydrophobicContact CB-CD1 4.36Å; A325-F390 HydrophobicContact CB-CE1 3.27Å; A325-F390 HydrophobicContact CB-CZ 3.48Å; A325-F390 VanDerWaalsContact CB-CZ 3.48Å; Q386-F390 WeakPolarHBondContact O-CB 3.32Å; Q386-F390 PolarHBondContact O-N 2.89Å; F390-G393 PolarHBondContact O-N 3.32Å; F390-N394 WeakPolarHBondContact CD1-ND2 3.46Å; F390-N394 WeakPolarHBondContact CE1-ND2 3.39Å; F390-N394 WeakPolarHBondContact CZ-ND2 3.46Å; F390-N394 PolarHBondContact O-N 3.47Å; F390-N394 PolarHBondContact O-ND2 2.85Å |
| 391 | F | 88.5 | Confident | 89.8 | Confident | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.009 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.7 | -49.3 | 177.8 | -176.7 | -145.5 | 0 | 0 | 0 | 111.3 | V324 V332 V336 V339 F340 T387 I388 G389 G393 N394 L395 | V324-F391 HydrophobicContact CG1-CB 4.03Å; V324-F391 HydrophobicContact CG1-CD1 4.44Å; V324-F391 HydrophobicContact CG1-CD2 3.13Å; V324-F391 HydrophobicContact CG1-CE2 3.61Å; V324-F391 HydrophobicContact CG1-CG 3.63Å; V324-F391 HydrophobicContact CG1-CZ 4.41Å; V332-F391 HydrophobicContact CB-CE2 4.16Å; V332-F391 HydrophobicContact CB-CZ 4.45Å; V332-F391 HydrophobicContact CG1-CE2 3.39Å; V332-F391 HydrophobicContact CG1-CZ 3.41Å; V332-F391 VanDerWaalsContact CG1-CZ 3.41Å; V336-F391 HydrophobicContact CB-CE1 4.42Å; V336-F391 HydrophobicContact CB-CZ 4.15Å; V336-F391 HydrophobicContact CG1-CE1 4.08Å; V336-F391 HydrophobicContact CG1-CZ 4.07Å; V336-F391 HydrophobicContact CG2-CZ 3.91Å; V339-F391 HydrophobicContact CB-CD1 4.33Å; V339-F391 HydrophobicContact CB-CE1 3.84Å; V339-F391 HydrophobicContact CG1-CD1 3.78Å; V339-F391 HydrophobicContact CG1-CE1 3.81Å; V339-F391 HydrophobicContact CG2-CE1 4.34Å; F340-F391 HydrophobicContact CD2-CD1 4.02Å; F340-F391 AromaticContact CD2-CE1 3.89Å; F340-F391 HydrophobicContact CD2-CE1 3.89Å; F340-F391 HydrophobicContact CE1-CD1 4.12Å; F340-F391 AromaticContact CE2-CD1 3.28Å; F340-F391 HydrophobicContact CE2-CD1 3.28Å; F340-F391 AromaticContact CE2-CE1 3.36Å; F340-F391 HydrophobicContact CE2-CE1 3.36Å; F340-F391 HydrophobicContact CE2-CG 4.26Å; F340-F391 HydrophobicContact CE2-CZ 4.37Å; F340-F391 HydrophobicContact CZ-CB 4.23Å; F340-F391 AromaticContact CZ-CD1 3.34Å; F340-F391 HydrophobicContact CZ-CD1 3.34Å; F340-F391 AromaticContact CZ-CE1 3.94Å; F340-F391 HydrophobicContact CZ-CE1 3.94Å; F340-F391 HydrophobicContact CZ-CG 4.02Å; T387-F391 WeakPolarHBondContact O-CB 3.26Å; T387-F391 PolarHBondContact O-N 3.37Å; I388-F391 PolarHBondContact O-N 3.07Å; G389-F391 VanDerWaalsContact C-N 3.32Å; G389-F391 PolarHBondContact O-N 3.43Å; F391-G393 VanDerWaalsContact C-N 3.29Å; F391-G393 PolarHBondContact O-N 2.89Å; F391-N394 PolarHBondContact O-N 3.32Å; F391-N394 VanDerWaalsContact O-N 3.11Å; F391-L395 HydrophobicContact CD2-CD2 4.41Å; F391-L395 HydrophobicContact CE2-CD2 3.84Å; F391-L395 HydrophobicContact CZ-CD2 4.19Å; F391-L395 WeakPolarHBondContact O-CG 3.25Å |
| 392 | G | 88.1 | Confident | 89.6 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.9 | -36.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | I388 G389 N394 L395 R400 | I388-G392 PolarHBondContact O-N 2.9Å; G389-G392 PolarHBondContact O-N 3.44Å; G392-N394 VanDerWaalsContact C-N 3.27Å; G392-N394 PolarHBondContact O-N 3.44Å; G392-L395 PolarHBondContact O-N 3.11Å; G392-R400 VanDerWaalsContact O-CD 3.24Å; G392-R400 WeakPolarHBondContact O-CD 3.35Å; G392-R400 PolarHBondContact O-NE 2.78Å |
| 393 | G | 86.8 | Confident | 89.5 | Confident | 38 Ų | 38 | 39.5 Ų | 39.5 | 39% | 0.392 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -66.3 | -23.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | G389 F390 F391 | G389-G393 PolarHBondContact O-N 3.34Å; F390-G393 PolarHBondContact O-N 3.32Å; F391-G393 VanDerWaalsContact C-N 3.29Å; F391-G393 PolarHBondContact O-N 2.89Å |
| 394 | N | 86.1 | Confident | 89.5 | Confident | 80 Ų | 80 | 39.2 Ų | 39.2 | 43% | 0.428 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -4.8 | 176.9 | -72.1 | -59.4 | 0 | 0 | 0 | 113.6 | A328 F390 F391 G392 | A328-N394 HydrophobicContact CB-CB 3.94Å; F390-N394 WeakPolarHBondContact CD1-ND2 3.46Å; F390-N394 WeakPolarHBondContact CE1-ND2 3.39Å; F390-N394 WeakPolarHBondContact CZ-ND2 3.46Å; F390-N394 PolarHBondContact O-N 3.47Å; F390-N394 PolarHBondContact O-ND2 2.85Å; F391-N394 PolarHBondContact O-N 3.32Å; F391-N394 VanDerWaalsContact O-N 3.11Å; G392-N394 VanDerWaalsContact C-N 3.27Å; G392-N394 PolarHBondContact O-N 3.44Å |
| 395 | L | 85.8 | Confident | 89.2 | Confident | 16 Ų | 16 | 42.3 Ų | 42.3 | 8% | 0.084 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -83.5 | 148.3 | 178.8 | -61.9 | 177.7 | 0 | 0 | 0 | 111.6 | V336 F340 F391 G392 Q399 R400 V403 | V336-L395 HydrophobicContact CG1-CD1 3.76Å; V336-L395 HydrophobicContact CG1-CD2 4.33Å; V336-L395 HydrophobicContact CG2-CD2 4.1Å; F340-L395 HydrophobicContact CE2-CD1 3.95Å; F340-L395 HydrophobicContact CZ-CD1 4.28Å; F391-L395 HydrophobicContact CD2-CD2 4.41Å; F391-L395 HydrophobicContact CE2-CD2 3.84Å; F391-L395 HydrophobicContact CZ-CD2 4.19Å; F391-L395 WeakPolarHBondContact O-CG 3.25Å; G392-L395 PolarHBondContact O-N 3.11Å; L395-Q399 HydrophobicContact CB-CB 4.25Å; L395-Q399 HydrophobicContact CD1-CB 4.39Å; L395-R400 HydrophobicContact CB-CB 4.45Å; L395-V403 HydrophobicContact CD1-CG2 3.87Å |
| 396 | P | 86.3 | Confident | 89.1 | Confident | 64 Ų | 64 | 43.9 Ų | 43.9 | 42% | 0.416 | 23% | 0.225 | S | C | . | . | trans | -58.5 | 150.2 | 165.7 | -21 | 32.7 | 0 | 0 | 0 | 111.8 | Y398 Q399 R400 | P396-Y398 HydrophobicContact CB-CD1 3.7Å; P396-Y398 HydrophobicContact CB-CE1 3.54Å; P396-Y398 HydrophobicContact CG-CE1 3.99Å; P396-Y398 PolarHBondContact O-N 3.33Å; P396-Q399 PolarHBondContact O-N 3.49Å; P396-Q399 VanDerWaalsContact O-N 3.08Å; P396-R400 WeakPolarHBondContact O-CB 3.48Å; P396-R400 PolarHBondContact O-N 2.91Å | ||
| 397 | D | 84.6 | Confident | 89 | Confident | 72 Ų | 72 | 38.9 Ų | 38.9 | 39% | 0.385 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -53.4 | -34.9 | -174.7 | -67.3 | -41.2 | 0 | 0 | 0 | 114 | R400 A401 F449 | D397-R400 WeakPolarHBondContact O-CB 3.35Å; D397-R400 PolarHBondContact O-N 3.36Å; D397-A401 PolarHBondContact O-N 3.46Å; D397-F449 HydrophobicContact CB-CD2 4.41Å; D397-F449 HydrophobicContact CB-CE2 3.94Å; D397-F449 WeakPolarHBondContact O-CE2 3.34Å |
| 398 | Y | 84.4 | Confident | 88.9 | Confident | 145 Ų | 145 | 39.1 Ų | 39.1 | 57% | 0.569 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -67.5 | -45.7 | 179.2 | 76.9 | -89.6 | 0 | 0 | 0 | 112.7 | P396 R400 A401 E402 | P396-Y398 HydrophobicContact CB-CD1 3.7Å; P396-Y398 HydrophobicContact CB-CE1 3.54Å; P396-Y398 HydrophobicContact CG-CE1 3.99Å; P396-Y398 PolarHBondContact O-N 3.33Å; Y398-R400 VanDerWaalsContact C-N 3.27Å; Y398-R400 PolarHBondContact O-N 3.37Å; Y398-A401 PolarHBondContact O-N 3.21Å; Y398-E402 PolarHBondContact O-N 2.9Å; Y398-E402 VanDerWaalsContact O-N 3.13Å |
| 399 | Q | 86.9 | Confident | 88.7 | Confident | 35 Ų | 35 | 42.1 Ų | 42.1 | 16% | 0.164 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68 | -34.5 | 175.4 | -63.5 | -172.1 | -21.5 | 0 | 0 | 110.5 | L395 P396 A401 E402 V403 | L395-Q399 HydrophobicContact CB-CB 4.25Å; L395-Q399 HydrophobicContact CD1-CB 4.39Å; P396-Q399 PolarHBondContact O-N 3.49Å; P396-Q399 VanDerWaalsContact O-N 3.08Å; Q399-A401 VanDerWaalsContact C-N 3.33Å; Q399-A401 PolarHBondContact O-N 3.46Å; Q399-E402 WeakPolarHBondContact O-CB 3.14Å; Q399-E402 PolarHBondContact O-N 3.23Å; Q399-V403 WeakPolarHBondContact O-CG2 3.49Å; Q399-V403 PolarHBondContact O-N 3.25Å |
| 400 | R | 88.3 | Confident | 88.6 | Confident | 13 Ų | 13 | 43.7 Ų | 43.7 | 5% | 0.049 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.1 | -42.2 | 176.2 | -156.3 | 168.3 | 178 | -179.5 | 5.3 | 111.2 | G392 L395 P396 D397 Y398 V403 M404 V445 S447 F449 | G392-R400 VanDerWaalsContact O-CD 3.24Å; G392-R400 WeakPolarHBondContact O-CD 3.35Å; G392-R400 PolarHBondContact O-NE 2.78Å; L395-R400 HydrophobicContact CB-CB 4.45Å; P396-R400 WeakPolarHBondContact O-CB 3.48Å; P396-R400 PolarHBondContact O-N 2.91Å; D397-R400 WeakPolarHBondContact O-CB 3.35Å; D397-R400 PolarHBondContact O-N 3.36Å; Y398-R400 VanDerWaalsContact C-N 3.27Å; Y398-R400 PolarHBondContact O-N 3.37Å; R400-V403 PolarHBondContact O-N 2.92Å; R400-M404 WeakPolarHBondContact O-CG 3.27Å; R400-M404 PolarHBondContact O-N 3.4Å; R400-V445 HydrophobicContact CG-CG1 3.97Å; R400-V445 PolarHBondContact NE-O 3.38Å; R400-V445 PolarHBondContact NH2-O 3.48Å; R400-S447 PolarHBondContact NH2-O 3.48Å; R400-F449 HydrophobicContact CB-CD2 4.37Å; R400-F449 HydrophobicContact CB-CE2 4.48Å; R400-F449 HydrophobicContact CG-CD2 4.3Å |
| 401 | A | 88.8 | Confident | 88.4 | Confident | 26 Ų | 26 | 39.9 Ų | 39.9 | 22% | 0.215 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.5 | -40.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D397 Y398 Q399 V403 M404 M405 F449 | D397-A401 PolarHBondContact O-N 3.46Å; Y398-A401 PolarHBondContact O-N 3.21Å; Q399-A401 VanDerWaalsContact C-N 3.33Å; Q399-A401 PolarHBondContact O-N 3.46Å; A401-V403 PolarHBondContact O-N 2.91Å; A401-M404 WeakPolarHBondContact O-CB 3.42Å; A401-M404 PolarHBondContact O-N 3Å; A401-M405 WeakPolarHBondContact O-CG 3.46Å; A401-M405 PolarHBondContact O-N 3.25Å; A401-F449 HydrophobicContact CB-CZ 4.39Å |
| 402 | E | 89.1 | Confident | 88 | Confident | 110 Ų | 110 | 40.3 Ų | 40.3 | 51% | 0.514 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.5 | -42.2 | 173.2 | -70.4 | 177.3 | -173.5 | 0 | 0 | 112.2 | Y398 Q399 M405 F406 | Y398-E402 PolarHBondContact O-N 2.9Å; Y398-E402 VanDerWaalsContact O-N 3.13Å; Q399-E402 WeakPolarHBondContact O-CB 3.14Å; Q399-E402 PolarHBondContact O-N 3.23Å; E402-M405 WeakPolarHBondContact O-CB 3.37Å; E402-M405 PolarHBondContact O-N 3.33Å; E402-F406 WeakPolarHBondContact O-CB 3.21Å; E402-F406 PolarHBondContact O-N 2.88Å |
| 403 | V | 91 | Very high | 87.4 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66 | -39.9 | 175.9 | 170.6 | 0 | 0 | 0 | 0 | 111.4 | V336 L337 F340 L395 Q399 R400 A401 F406 I407 V445 | V336-V403 HydrophobicContact CG1-CG2 3.84Å; L337-V403 HydrophobicContact CD2-CG2 4.42Å; F340-V403 HydrophobicContact CD1-CG1 3.81Å; F340-V403 HydrophobicContact CD2-CB 4.38Å; F340-V403 HydrophobicContact CD2-CG1 3.76Å; F340-V403 HydrophobicContact CD2-CG2 3.63Å; F340-V403 HydrophobicContact CE1-CG1 3.63Å; F340-V403 HydrophobicContact CE2-CB 4.18Å; F340-V403 HydrophobicContact CE2-CG1 3.6Å; F340-V403 HydrophobicContact CE2-CG2 3.43Å; F340-V403 VanDerWaalsContact CE2-CG2 3.43Å; F340-V403 HydrophobicContact CG-CG1 3.9Å; F340-V403 HydrophobicContact CG-CG2 4.5Å; F340-V403 HydrophobicContact CZ-CB 4.46Å; F340-V403 HydrophobicContact CZ-CG1 3.54Å; F340-V403 HydrophobicContact CZ-CG2 4.14Å; L395-V403 HydrophobicContact CD1-CG2 3.87Å; Q399-V403 WeakPolarHBondContact O-CG2 3.49Å; Q399-V403 PolarHBondContact O-N 3.25Å; R400-V403 PolarHBondContact O-N 2.92Å; A401-V403 PolarHBondContact O-N 2.91Å; V403-F406 WeakPolarHBondContact O-CB 3.5Å; V403-F406 PolarHBondContact O-N 3.31Å; V403-I407 HydrophobicContact CG1-CD1 3.88Å; V403-I407 HydrophobicContact CG1-CG1 4.36Å; V403-I407 WeakPolarHBondContact O-CG1 3.47Å; V403-I407 PolarHBondContact O-N 3.47Å; V403-V445 HydrophobicContact CG1-CG1 4.11Å; V403-V445 HydrophobicContact CG1-CG2 4.35Å |
| 404 | M | 92.3 | Very high | 86.1 | Confident | 3 Ų | 3 | 44.2 Ų | 44.2 | 2% | 0.015 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.2 | -48.7 | 173.7 | -71.5 | 165.7 | 56.6 | 0 | 0 | 110.8 | R400 A401 F406 I407 M408 L442 V445 T446 F449 F462 I488 | R400-M404 WeakPolarHBondContact O-CG 3.27Å; R400-M404 PolarHBondContact O-N 3.4Å; A401-M404 WeakPolarHBondContact O-CB 3.42Å; A401-M404 PolarHBondContact O-N 3Å; M404-F406 VanDerWaalsContact C-N 3.31Å; M404-F406 PolarHBondContact O-N 3.13Å; M404-I407 PolarHBondContact O-N 2.89Å; M404-M408 WeakPolarHBondContact O-CB 3.49Å; M404-M408 PolarHBondContact O-N 3.5Å; M404-L442 HydrophobicContact CB-CD1 3.91Å; M404-L442 HydrophobicContact CG-CD1 3.84Å; M404-V445 HydrophobicContact CG-CG1 3.82Å; M404-T446 HydrophobicContact CE-CG2 3.67Å; M404-T446 HydrophobicContact CG-CG2 4.16Å; M404-T446 HydrophobicContact SD-CG2 3.92Å; M404-F449 HydrophobicContact CE-CE1 4.44Å; M404-F449 HydrophobicContact SD-CD1 4.32Å; M404-F449 HydrophobicContact SD-CD2 4.45Å; M404-F449 HydrophobicContact SD-CE1 4.31Å; M404-F449 HydrophobicContact SD-CE2 4.43Å; M404-F449 HydrophobicContact SD-CG 4.37Å; M404-F449 HydrophobicContact SD-CZ 4.36Å; M404-F462 HydrophobicContact CB-CE2 3.89Å; M404-F462 HydrophobicContact CB-CZ 4.29Å; M404-F462 HydrophobicContact CE-CE1 4.07Å; M404-F462 HydrophobicContact CE-CE2 4.33Å; M404-F462 HydrophobicContact CE-CZ 3.72Å; M404-I488 HydrophobicContact CE-CD1 3.49Å; M404-I488 VanDerWaalsContact CE-CD1 3.49Å; M404-I488 HydrophobicContact CE-CG1 3.94Å |
| 405 | M | 90.8 | Very high | 84.5 | Confident | 65 Ų | 65 | 43.6 Ų | 43.6 | 32% | 0.32 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -58.8 | -42.7 | 174.3 | -73.1 | -56.6 | -62.1 | 0 | 0 | 112.1 | A401 E402 M408 G409 P459 P461 F462 | A401-M405 WeakPolarHBondContact O-CG 3.46Å; A401-M405 PolarHBondContact O-N 3.25Å; E402-M405 WeakPolarHBondContact O-CB 3.37Å; E402-M405 PolarHBondContact O-N 3.33Å; M405-M408 PolarHBondContact O-N 2.98Å; M405-G409 PolarHBondContact O-N 3.31Å; M405-P459 HydrophobicContact SD-CG 3.96Å; M405-P461 HydrophobicContact CE-CB 3.82Å; M405-F462 HydrophobicContact CE-CB 4.43Å; M405-F462 HydrophobicContact SD-CB 3.51Å; M405-F462 VanDerWaalsContact SD-CB 3.51Å; M405-F462 HydrophobicContact SD-CD2 3.71Å; M405-F462 HydrophobicContact SD-CG 4Å |
| 406 | F | 91.8 | Very high | 82.7 | Confident | 51 Ų | 51 | 47.3 Ų | 47.3 | 22% | 0.224 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.7 | -47.4 | 179.6 | -178.7 | -101.1 | 0 | 0 | 0 | 112.2 | L337 F340 N341 L344 E402 V403 M404 M408 G409 K410 | L337-F406 HydrophobicContact CD2-CB 4.16Å; L337-F406 HydrophobicContact CD2-CD1 4.48Å; L337-F406 HydrophobicContact CD2-CD2 4.29Å; L337-F406 HydrophobicContact CD2-CG 4.06Å; F340-F406 HydrophobicContact CB-CD1 4.21Å; F340-F406 HydrophobicContact CB-CE1 4.15Å; N341-F406 HydrophobicContact CB-CE1 4.09Å; N341-F406 HydrophobicContact CB-CZ 3.73Å; L344-F406 HydrophobicContact CD1-CD1 4.1Å; L344-F406 HydrophobicContact CD1-CE1 3.86Å; E402-F406 WeakPolarHBondContact O-CB 3.21Å; E402-F406 PolarHBondContact O-N 2.88Å; V403-F406 WeakPolarHBondContact O-CB 3.5Å; V403-F406 PolarHBondContact O-N 3.31Å; M404-F406 VanDerWaalsContact C-N 3.31Å; M404-F406 PolarHBondContact O-N 3.13Å; F406-M408 VanDerWaalsContact C-N 3.33Å; F406-G409 PolarHBondContact O-N 3.5Å; F406-K410 WeakPolarHBondContact O-CG 3.06Å; F406-K410 PolarHBondContact O-N 2.96Å |
| 407 | I | 92.5 | Very high | 80.4 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.3 | -46.1 | 175.4 | -66.6 | 167.1 | 0 | 0 | 0 | 109.6 | L344 I388 V403 M404 G409 K410 V411 L442 V445 | L344-I407 HydrophobicContact CD1-CG1 3.93Å; L344-I407 HydrophobicContact CD2-CG1 4.39Å; I388-I407 HydrophobicContact CG2-CD1 4.2Å; V403-I407 HydrophobicContact CG1-CD1 3.88Å; V403-I407 HydrophobicContact CG1-CG1 4.36Å; V403-I407 WeakPolarHBondContact O-CG1 3.47Å; V403-I407 PolarHBondContact O-N 3.47Å; M404-I407 PolarHBondContact O-N 2.89Å; I407-G409 VanDerWaalsContact C-N 3.35Å; I407-G409 PolarHBondContact O-N 3.34Å; I407-K410 WeakPolarHBondContact O-CA 3.29Å; I407-K410 WeakPolarHBondContact O-CB 3.34Å; I407-K410 PolarHBondContact O-N 3.16Å; I407-V411 PolarHBondContact O-N 3.03Å; I407-L442 HydrophobicContact CB-CD1 4.5Å; I407-L442 HydrophobicContact CG2-CB 4.16Å; I407-V445 HydrophobicContact CD1-CB 4.4Å; I407-V445 HydrophobicContact CD1-CG2 3.73Å |
| 408 | M | 90.4 | Very high | 78.4 | Confident | 6 Ų | 6 | 47.1 Ų | 47.1 | 3% | 0.03 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.5 | -42 | -178.6 | -162.9 | 61.6 | -149.1 | 0 | 0 | 112.3 | M404 M405 F406 K410 V411 L442 F462 P465 L466 I469 | M404-M408 WeakPolarHBondContact O-CB 3.49Å; M404-M408 PolarHBondContact O-N 3.5Å; M405-M408 PolarHBondContact O-N 2.98Å; F406-M408 VanDerWaalsContact C-N 3.33Å; M408-K410 PolarHBondContact O-N 3.3Å; M408-K410 VanDerWaalsContact O-N 3.11Å; M408-V411 HydrophobicContact CE-CB 4.17Å; M408-V411 HydrophobicContact CE-CG2 4.36Å; M408-V411 WeakPolarHBondContact O-CB 3.38Å; M408-V411 PolarHBondContact O-N 3.42Å; M408-V411 HydrophobicContact SD-CB 4.48Å; M408-V411 HydrophobicContact SD-CG2 4.07Å; M408-L442 HydrophobicContact SD-CD2 3.98Å; M408-F462 HydrophobicContact CB-CD2 3.73Å; M408-F462 HydrophobicContact CB-CE2 3.77Å; M408-F462 HydrophobicContact CG-CD2 3.87Å; M408-F462 HydrophobicContact CG-CE2 4.06Å; M408-P465 HydrophobicContact CE-CB 3.4Å; M408-P465 HydrophobicContact CG-CB 4.29Å; M408-L466 HydrophobicContact CE-CD2 3.93Å; M408-L466 HydrophobicContact CE-CG 4.05Å; M408-L466 HydrophobicContact SD-CD2 3.69Å; M408-L466 HydrophobicContact SD-CG 3.92Å; M408-I469 HydrophobicContact CE-CD1 3.63Å |
| 409 | G | 88.8 | Confident | 76.4 | Confident | 63 Ų | 63 | 48.1 Ų | 48.1 | 65% | 0.649 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -13.3 | 175 | 0 | 0 | 0 | 0 | 0 | 114.3 | M405 F406 I407 | M405-G409 PolarHBondContact O-N 3.31Å; F406-G409 PolarHBondContact O-N 3.5Å; I407-G409 VanDerWaalsContact C-N 3.35Å; I407-G409 PolarHBondContact O-N 3.34Å |
| 410 | K | 88.6 | Confident | 74.1 | Confident | 39 Ų | 39 | 50.3 Ų | 50.3 | 17% | 0.17 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -22.4 | 171.6 | -62.6 | -65 | -177 | -179.6 | 0 | 112 | L344 R348 F406 I407 M408 P412 | L344-K410 HydrophobicContact CD1-CG 4.43Å; R348-K410 PolarHBondContact NH2-O 3.42Å; F406-K410 WeakPolarHBondContact O-CG 3.06Å; F406-K410 PolarHBondContact O-N 2.96Å; I407-K410 WeakPolarHBondContact O-CA 3.29Å; I407-K410 WeakPolarHBondContact O-CB 3.34Å; I407-K410 PolarHBondContact O-N 3.16Å; M408-K410 PolarHBondContact O-N 3.3Å; M408-K410 VanDerWaalsContact O-N 3.11Å; K410-P412 WeakPolarHBondContact O-CD 3.09Å |
| 411 | V | 87.1 | Confident | 71.9 | Confident | 8 Ų | 8 | 54.8 Ų | 54.8 | 5% | 0.048 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -63.4 | 123.4 | -178.4 | -173.3 | 0 | 0 | 0 | 0 | 109.4 | I407 M408 V413 Q435 L438 I469 | I407-V411 PolarHBondContact O-N 3.03Å; M408-V411 HydrophobicContact CE-CB 4.17Å; M408-V411 HydrophobicContact CE-CG2 4.36Å; M408-V411 WeakPolarHBondContact O-CB 3.38Å; M408-V411 PolarHBondContact O-N 3.42Å; M408-V411 HydrophobicContact SD-CB 4.48Å; M408-V411 HydrophobicContact SD-CG2 4.07Å; V411-V413 PolarHBondContact O-N 2.72Å; V411-Q435 HydrophobicContact CG1-CG 4.16Å; V411-L438 HydrophobicContact CB-CD1 4.4Å; V411-L438 HydrophobicContact CG2-CB 3.84Å; V411-L438 HydrophobicContact CG2-CD1 4.12Å; V411-I469 HydrophobicContact CB-CD1 4.35Å; V411-I469 HydrophobicContact CG1-CD1 3.41Å; V411-I469 VanDerWaalsContact CG1-CD1 3.41Å |
| 412 | P | 80.5 | Confident | 69.7 | Low | 11 Ų | 11 | 59 Ų | 59 | 7% | 0.071 | 34% | 0.34 | C | S | . | . | trans | -69 | 121.6 | 178.3 | 27.2 | -31.1 | 0 | 0 | 0 | 109.2 | K410 T431 I434 Q435 | K410-P412 WeakPolarHBondContact O-CD 3.09Å; P412-T431 HydrophobicContact CB-CG2 4.24Å; P412-T431 HydrophobicContact CG-CG2 3.96Å; P412-I434 HydrophobicContact CG-CG2 4.17Å; P412-Q435 HydrophobicContact CG-CG 3.78Å; P412-Q435 PolarHBondContact O-NE2 3.28Å | ||
| 413 | V | 73.9 | Confident | 67.6 | Low | 27 Ų | 27 | 55.5 Ų | 55.5 | 16% | 0.164 | 33% | 0.327 | C | S | . | . | trans | -107.7 | 137.3 | 173.2 | -174.5 | 0 | 0 | 0 | 0 | 108.1 | V411 G415 P465 S468 I469 | V411-V413 PolarHBondContact O-N 2.72Å; V413-G415 PolarHBondContact O-N 3.02Å; V413-P465 HydrophobicContact CG2-CB 4.1Å; V413-S468 WeakPolarHBondContact CG1-OG 3.32Å; V413-I469 HydrophobicContact CG2-CG1 4.47Å | ||
| 414 | Y | 60.1 | Low | 65.4 | Low | 94 Ų | 94 | 62.4 Ų | 62.4 | 37% | 0.369 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | 127.8 | -178.7 | -76.4 | -87.8 | 0 | 0 | 0 | 110.6 | H428 M472 | Y414-H428 AromaticContact CE1-ND1 3.88Å; Y414-H428 PolarHBondContact OH-ND1 3.36Å; Y414-M472 HydrophobicContact CD2-CE 4.02Å; Y414-M472 HydrophobicContact CD2-SD 3.83Å; Y414-M472 HydrophobicContact CE2-CE 3.37Å; Y414-M472 HydrophobicContact CE2-SD 3.77Å |
| 415 | G | 53 | Low | 63.4 | Low | 66 Ų | 66 | 70.3 Ų | 70.3 | 68% | 0.68 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.9 | -12 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | V413 | V413-G415 PolarHBondContact O-N 3.02Š|
| 416 | T | 48.3 | Very low | 61.9 | Low | 95 Ų | 95 | 68.6 Ų | 68.6 | 58% | 0.583 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -98.1 | 126.5 | 170.2 | -41.7 | 0 | 0 | 0 | 0 | 109.6 | C418 | T416-C418 PolarHBondContact O-N 3.39Š|
| 417 | P | 38.3 | Very low | 60.7 | Low | 88 Ų | 88 | 68.8 Ų | 68.8 | 57% | 0.571 | 41% | 0.411 | S | S | * | . | trans | -63.6 | 106.9 | 171.7 | 24.4 | -30.1 | 0 | 0 | 0 | 108.7 | H419 | P417-H419 VanDerWaalsContact C-N 3.32Å; P417-H419 WeakPolarHBondContact CG-NE2 3.49Å; P417-H419 PolarHBondContact O-CD2 3.45Å; P417-H419 VanDerWaalsContact O-CD2 3.29Å; P417-H419 PolarHBondContact O-N 3.17Å | ||
| 418 | C | 41.2 | Very low | 59.7 | Low | 44 Ų | 44 | 74.2 Ų | 74.2 | 30% | 0.297 | 44% | 0.436 | S | S | . | . | trans | -68.9 | 93.7 | 171.4 | -175.2 | 0 | 0 | 0 | 0 | 108.1 | T416 T420 | T416-C418 PolarHBondContact O-N 3.39Å; C418-T420 PolarHBondContact O-N 3.5Å | ||
| 419 | H | 41.9 | Very low | 58.9 | Low | 166 Ų | 166 | 81.5 Ų | 81.5 | 77% | 0.769 | 47% | 0.47 | S | S | * | . | trans | -73.6 | 16.2 | -175.2 | -79.1 | -66.7 | 0 | 0 | 0 | 115.3 | P417 | P417-H419 VanDerWaalsContact C-N 3.32Å; P417-H419 WeakPolarHBondContact CG-NE2 3.49Å; P417-H419 PolarHBondContact O-CD2 3.45Å; P417-H419 VanDerWaalsContact O-CD2 3.29Å; P417-H419 PolarHBondContact O-N 3.17Å | ||
| 420 | T | 39.9 | Very low | 58.4 | Low | 81 Ų | 81 | 78.6 Ų | 78.6 | 50% | 0.497 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -115.3 | -30.6 | -177.5 | 40.8 | 0 | 0 | 0 | 0 | 117.7 | C418 | C418-T420 PolarHBondContact O-N 3.5Š|
| 421 | L | 42.5 | Very low | 58.1 | Low | 106 Ų | 106 | 77.6 Ų | 77.6 | 56% | 0.555 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -158.1 | 121.8 | 178.4 | -67.9 | 171.3 | 0 | 0 | 0 | 111.7 | T423 | L421-T423 PolarHBondContact O-N 3.49Å; L421-T423 PolarHBondContact O-OG1 3.43Å |
| 422 | D | 41.2 | Very low | 58 | Low | 115 Ų | 115 | 80.7 Ų | 80.7 | 62% | 0.615 | 45% | 0.45 | S | S | * | . | trans | 17.8 | 36.1 | 152.3 | -100.8 | 23.4 | 0 | 0 | 0 | 121.1 | V424 K425 | D422-V424 PolarHBondContact O-N 3.47Å; D422-V424 VanDerWaalsContact O-N 3.15Å; D422-K425 IonicContact OD2-NZ 2.8Å; D422-K425 PolarHBondContact OD2-NZ 2.94Å | ||
| 423 | T | 46 | Very low | 58.2 | Low | 37 Ų | 37 | 82.6 Ų | 82.6 | 23% | 0.227 | 46% | 0.456 | C | S | . | . | G | 310 helix | trans | -69.8 | -9.3 | 178.1 | 30.6 | 0 | 0 | 0 | 0 | 113.8 | L421 K425 I426 | L421-T423 PolarHBondContact O-N 3.49Å; L421-T423 PolarHBondContact O-OG1 3.43Å; T423-K425 PolarHBondContact O-N 3.21Å; T423-I426 PolarHBondContact O-N 2.85Å |
| 424 | V | 44.8 | Very low | 58.9 | Low | 146 Ų | 146 | 81.4 Ų | 81.4 | 89% | 0.885 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | -66.2 | -18.9 | 178.6 | -176 | 0 | 0 | 0 | 0 | 112.5 | D422 | D422-V424 PolarHBondContact O-N 3.47Å; D422-V424 VanDerWaalsContact O-N 3.15Å |
| 425 | K | 50.3 | Low | 60.3 | Low | 168 Ų | 168 | 77 Ų | 77 | 73% | 0.73 | 43% | 0.431 | S | S | * | . | G | 310 helix | trans | -94.5 | -11.2 | -179 | -67.6 | 174.6 | -174.2 | 148.8 | 0 | 114.5 | D422 T423 | D422-K425 IonicContact OD2-NZ 2.8Å; D422-K425 PolarHBondContact OD2-NZ 2.94Å; T423-K425 PolarHBondContact O-N 3.21Å |
| 426 | I | 58.1 | Low | 62.1 | Low | 30 Ų | 30 | 74 Ų | 74 | 15% | 0.154 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -103.2 | 105.8 | -170.3 | -56.1 | 172.7 | 0 | 0 | 0 | 107.4 | D352 L355 T423 G430 I434 | D352-I426 WeakPolarHBondContact OD1-CD1 3.48Å; L355-I426 HydrophobicContact CD1-CG2 4.37Å; T423-I426 PolarHBondContact O-N 2.85Å; I426-G430 VanDerWaalsContact CG2-C 3.43Å; I426-I434 HydrophobicContact CD1-CD1 3.79Å; I426-I434 HydrophobicContact CG2-CD1 4.47Å |
| 427 | G | 66.5 | Low | 64.2 | Low | 54 Ų | 54 | 70 Ų | 70 | 56% | 0.557 | 38% | 0.375 | S | S | * | . | trans | -57.7 | 170.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | Q429 G430 T431 | G427-Q429 PolarHBondContact O-N 3.01Å; G427-G430 PolarHBondContact O-N 2.9Å; G427-T431 PolarHBondContact O-N 3.49Å | ||
| 428 | H | 72.9 | Confident | 66.8 | Low | 115 Ų | 115 | 65.9 Ų | 65.9 | 53% | 0.532 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -48 | -37.9 | -175.7 | -75.6 | -64.7 | 0 | 0 | 0 | 114.8 | Y414 K432 | Y414-H428 AromaticContact CE1-ND1 3.88Å; Y414-H428 PolarHBondContact OH-ND1 3.36Å; H428-K432 PolarHBondContact O-N 2.87Å |
| 429 | Q | 73.8 | Confident | 69.3 | Low | 158 Ų | 158 | 63.8 Ų | 63.8 | 74% | 0.738 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -65.8 | -38.1 | 177.8 | -69.5 | -172.6 | -7.9 | 0 | 0 | 113.2 | G427 K432 R433 | G427-Q429 PolarHBondContact O-N 3.01Å; Q429-K432 PolarHBondContact O-N 3.25Å; Q429-R433 PolarHBondContact O-N 2.96Å |
| 430 | G | 78 | Confident | 71.8 | Confident | 3 Ų | 3 | 57.1 Ų | 57.1 | 3% | 0.031 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -75.1 | -35.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | I426 G427 K432 R433 I434 | I426-G430 VanDerWaalsContact CG2-C 3.43Å; G427-G430 PolarHBondContact O-N 2.9Å; G430-K432 VanDerWaalsContact C-N 3.34Å; G430-K432 PolarHBondContact O-N 3.08Å; G430-R433 PolarHBondContact O-N 3.45Å; G430-I434 WeakPolarHBondContact O-CG1 3.46Å; G430-I434 PolarHBondContact O-N 3.36Å |
| 431 | T | 82.6 | Confident | 74.4 | Confident | 18 Ų | 18 | 53.3 Ų | 53.3 | 11% | 0.11 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.6 | -47.4 | 169.9 | -59.1 | 0 | 0 | 0 | 0 | 110.8 | P412 G427 R433 I434 Q435 | P412-T431 HydrophobicContact CB-CG2 4.24Å; P412-T431 HydrophobicContact CG-CG2 3.96Å; G427-T431 PolarHBondContact O-N 3.49Å; T431-R433 VanDerWaalsContact C-N 3.35Å; T431-R433 PolarHBondContact O-N 2.95Å; T431-I434 PolarHBondContact O-N 3.03Å; T431-Q435 VanDerWaalsContact O-CG 3.3Å; T431-Q435 WeakPolarHBondContact O-CG 3.41Å; T431-Q435 PolarHBondContact O-N 3.35Å |
| 432 | K | 83.7 | Confident | 76.9 | Confident | 72 Ų | 72 | 48.2 Ų | 48.2 | 31% | 0.313 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -57.4 | -46.6 | 174.9 | 177.6 | -176.8 | 164.9 | 177.7 | 0 | 111.7 | H428 Q429 G430 I434 Q435 T436 D474 L477 | H428-K432 PolarHBondContact O-N 2.87Å; Q429-K432 PolarHBondContact O-N 3.25Å; G430-K432 VanDerWaalsContact C-N 3.34Å; G430-K432 PolarHBondContact O-N 3.08Å; K432-I434 PolarHBondContact O-N 3.13Å; K432-Q435 PolarHBondContact O-N 3.49Å; K432-T436 WeakPolarHBondContact O-CB 3.39Å; K432-T436 PolarHBondContact O-N 2.77Å; K432-T436 PolarHBondContact O-OG1 3.37Å; K432-D474 WeakPolarHBondContact CD-OD2 3.31Å; K432-D474 WeakPolarHBondContact CE-OD1 3.34Å; K432-D474 WeakPolarHBondContact CE-OD2 3.43Å; K432-D474 IonicContact NZ-OD1 3.34Å; K432-D474 IonicContact NZ-OD2 2.63Å; K432-D474 PolarHBondContact NZ-OD2 3.28Å; K432-L477 HydrophobicContact CG-CD1 4.49Å |
| 433 | R | 85.7 | Confident | 79.4 | Confident | 51 Ų | 51 | 43.9 Ų | 43.9 | 19% | 0.192 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62 | -44 | -179.8 | -170.4 | 66.7 | 174.4 | 158.6 | 9.3 | 111.5 | V351 E354 Q429 G430 T431 T436 M437 | V351-R433 HydrophobicContact CB-CG 4.38Å; V351-R433 HydrophobicContact CG1-CB 3.77Å; V351-R433 HydrophobicContact CG1-CG 3.55Å; V351-R433 HydrophobicContact CG2-CG 3.94Å; E354-R433 IonicContact OE1-NH2 2.57Å; E354-R433 IonicContact OE2-CZ 3.91Å; E354-R433 IonicContact OE2-NE 3.18Å; E354-R433 PolarHBondContact OE2-NE 3.15Å; E354-R433 IonicContact OE2-NH2 3.63Å; Q429-R433 PolarHBondContact O-N 2.96Å; G430-R433 PolarHBondContact O-N 3.45Å; T431-R433 VanDerWaalsContact C-N 3.35Å; T431-R433 PolarHBondContact O-N 2.95Å; R433-T436 WeakPolarHBondContact O-CB 3.04Å; R433-T436 PolarHBondContact O-N 3.25Å; R433-M437 VanDerWaalsContact O-CG 3.31Å; R433-M437 WeakPolarHBondContact O-CG 3.32Å; R433-M437 PolarHBondContact O-N 3.48Å |
| 434 | I | 87.9 | Confident | 81.7 | Confident | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.015 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.1 | -47.4 | 174.9 | -70.8 | 173.5 | 0 | 0 | 0 | 111 | R348 V351 P412 I426 G430 T431 K432 T436 M437 L438 | R348-I434 HydrophobicContact CG-CD1 4.41Å; R348-I434 HydrophobicContact CG-CG2 4.38Å; V351-I434 HydrophobicContact CB-CG1 4.22Å; V351-I434 HydrophobicContact CG1-CG1 3.86Å; P412-I434 HydrophobicContact CG-CG2 4.17Å; I426-I434 HydrophobicContact CD1-CD1 3.79Å; I426-I434 HydrophobicContact CG2-CD1 4.47Å; G430-I434 WeakPolarHBondContact O-CG1 3.46Å; G430-I434 PolarHBondContact O-N 3.36Å; T431-I434 PolarHBondContact O-N 3.03Å; K432-I434 PolarHBondContact O-N 3.13Å; I434-T436 VanDerWaalsContact C-N 3.3Å; I434-T436 PolarHBondContact O-N 3.27Å; I434-M437 PolarHBondContact O-N 3.43Å; I434-L438 HydrophobicContact CG2-CD1 3.53Å; I434-L438 HydrophobicContact CG2-CG 4.15Å; I434-L438 WeakPolarHBondContact O-CB 3.44Å; I434-L438 VanDerWaalsContact O-CG 3.23Å; I434-L438 WeakPolarHBondContact O-CG 3.5Å; I434-L438 PolarHBondContact O-N 3.29Å |
| 435 | Q | 89.8 | Confident | 84 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -55.9 | -47.3 | 176.2 | -70.7 | 171.9 | -44.7 | 0 | 0 | 110.8 | V411 P412 T431 K432 M437 L438 L439 L477 | V411-Q435 HydrophobicContact CG1-CG 4.16Å; P412-Q435 HydrophobicContact CG-CG 3.78Å; P412-Q435 PolarHBondContact O-NE2 3.28Å; T431-Q435 VanDerWaalsContact O-CG 3.3Å; T431-Q435 WeakPolarHBondContact O-CG 3.41Å; T431-Q435 PolarHBondContact O-N 3.35Å; K432-Q435 PolarHBondContact O-N 3.49Å; Q435-M437 PolarHBondContact O-N 2.95Å; Q435-L438 PolarHBondContact O-N 3.22Å; Q435-L439 WeakPolarHBondContact O-CB 3.32Å; Q435-L439 VanDerWaalsContact O-CG 3.27Å; Q435-L439 WeakPolarHBondContact O-CG 3.18Å; Q435-L439 PolarHBondContact O-N 2.83Å; Q435-L477 HydrophobicContact CB-CD1 4.29Å; Q435-L477 HydrophobicContact CB-CD2 3.71Å |
| 436 | T | 91.2 | Very high | 86 | Confident | 3 Ų | 3 | 30.9 Ų | 30.9 | 2% | 0.018 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -57.1 | -48.2 | 178.4 | -52.5 | 0 | 0 | 0 | 0 | 111.5 | K432 R433 I434 S440 E476 L480 | K432-T436 WeakPolarHBondContact O-CB 3.39Å; K432-T436 PolarHBondContact O-N 2.77Å; K432-T436 PolarHBondContact O-OG1 3.37Å; R433-T436 WeakPolarHBondContact O-CB 3.04Å; R433-T436 PolarHBondContact O-N 3.25Å; I434-T436 VanDerWaalsContact C-N 3.3Å; I434-T436 PolarHBondContact O-N 3.27Å; T436-S440 VanDerWaalsContact O-CB 3.3Å; T436-S440 WeakPolarHBondContact O-CB 3.3Å; T436-S440 PolarHBondContact O-N 3.12Å; T436-S440 PolarHBondContact O-OG 3.06Å; T436-E476 HydrophobicContact CG2-CG 4.35Å; T436-E476 WeakPolarHBondContact CG2-OE1 3.49Å; T436-L480 HydrophobicContact CG2-CD1 3.89Å |
| 437 | M | 91.3 | Very high | 87.5 | Confident | 13 Ų | 13 | 32.7 Ų | 32.7 | 6% | 0.064 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68.9 | -38.3 | -178.3 | -65.3 | -61.2 | 97.1 | 0 | 0 | 112.9 | L347 V351 Q381 I385 R433 I434 Q435 S441 | L347-M437 HydrophobicContact CD1-CB 4.16Å; L347-M437 HydrophobicContact CD1-CG 4.45Å; L347-M437 HydrophobicContact CD2-CB 3.9Å; L347-M437 HydrophobicContact CG-CB 4.01Å; V351-M437 HydrophobicContact CG2-CG 3.94Å; Q381-M437 HydrophobicContact CB-SD 4.09Å; Q381-M437 HydrophobicContact CG-SD 4.39Å; I385-M437 HydrophobicContact CD1-SD 3.87Å; R433-M437 VanDerWaalsContact O-CG 3.31Å; R433-M437 WeakPolarHBondContact O-CG 3.32Å; R433-M437 PolarHBondContact O-N 3.48Å; I434-M437 PolarHBondContact O-N 3.43Å; Q435-M437 PolarHBondContact O-N 2.95Å; M437-S441 WeakPolarHBondContact O-CB 3.47Å; M437-S441 PolarHBondContact O-N 3.45Å; M437-S441 PolarHBondContact O-OG 3.14Å |
| 438 | L | 92.8 | Very high | 88.3 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -72.2 | -39.6 | 177.9 | -64.3 | 171.2 | 0 | 0 | 0 | 112.1 | L344 L347 V411 I434 Q435 S441 L442 | L344-L438 HydrophobicContact CD2-CD2 3.58Å; L347-L438 HydrophobicContact CD2-CD2 4.34Å; V411-L438 HydrophobicContact CB-CD1 4.4Å; V411-L438 HydrophobicContact CG2-CB 3.84Å; V411-L438 HydrophobicContact CG2-CD1 4.12Å; I434-L438 HydrophobicContact CG2-CD1 3.53Å; I434-L438 HydrophobicContact CG2-CG 4.15Å; I434-L438 WeakPolarHBondContact O-CB 3.44Å; I434-L438 VanDerWaalsContact O-CG 3.23Å; I434-L438 WeakPolarHBondContact O-CG 3.5Å; I434-L438 PolarHBondContact O-N 3.29Å; Q435-L438 PolarHBondContact O-N 3.22Å; L438-S441 VanDerWaalsContact O-CB 3.31Å; L438-S441 WeakPolarHBondContact O-CB 3.39Å; L438-S441 PolarHBondContact O-N 2.89Å; L438-L442 WeakPolarHBondContact O-CB 3.37Å; L438-L442 PolarHBondContact O-N 2.87Å |
| 439 | L | 94 | Very high | 89 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67.5 | -37.6 | 173.5 | -67.7 | 177.5 | 0 | 0 | 0 | 111.1 | Q435 S441 L442 I443 L466 I469 L477 L480 V481 I484 | Q435-L439 WeakPolarHBondContact O-CB 3.32Å; Q435-L439 VanDerWaalsContact O-CG 3.27Å; Q435-L439 WeakPolarHBondContact O-CG 3.18Å; Q435-L439 PolarHBondContact O-N 2.83Å; L439-S441 VanDerWaalsContact C-N 3.32Å; L439-S441 PolarHBondContact O-N 3.25Å; L439-L442 CarbonylContact O-C 3.58Å; L439-L442 WeakPolarHBondContact O-CB 3.42Å; L439-L442 PolarHBondContact O-N 3.42Å; L439-L442 VanDerWaalsContact O-N 3.12Å; L439-I443 WeakPolarHBondContact O-CG1 3.28Å; L439-I443 PolarHBondContact O-N 3.48Å; L439-L466 HydrophobicContact CD2-CD2 4.09Å; L439-I469 HydrophobicContact CD1-CG2 4.02Å; L439-I469 HydrophobicContact CD2-CD1 4.31Å; L439-L477 HydrophobicContact CD1-CD2 3.95Å; L439-L480 HydrophobicContact CB-CB 3.96Å; L439-L480 HydrophobicContact CB-CD1 3.93Å; L439-L480 HydrophobicContact CD1-CB 4.1Å; L439-L480 HydrophobicContact CD1-CD1 4.35Å; L439-V481 HydrophobicContact CD1-CG2 4.24Å; L439-I484 HydrophobicContact CB-CD1 4.16Å; L439-I484 HydrophobicContact CD2-CD1 3.69Å; L439-I484 HydrophobicContact CG-CD1 4.47Å |
| 440 | S | 94.7 | Very high | 89.4 | Confident | 26 Ų | 26 | 26.7 Ų | 26.7 | 18% | 0.182 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.7 | -41.5 | 172.3 | -59.9 | 0 | 0 | 0 | 0 | 111.7 | T436 L442 I443 M444 | T436-S440 VanDerWaalsContact O-CB 3.3Å; T436-S440 WeakPolarHBondContact O-CB 3.3Å; T436-S440 PolarHBondContact O-N 3.12Å; T436-S440 PolarHBondContact O-OG 3.06Å; S440-L442 VanDerWaalsContact C-N 3.31Å; S440-L442 PolarHBondContact O-N 2.79Å; S440-I443 PolarHBondContact O-N 3.43Å; S440-M444 WeakPolarHBondContact O-CG 3.4Å; S440-M444 PolarHBondContact O-N 2.61Å |
| 441 | S | 94.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.1 | -43.6 | 171.4 | -62 | 0 | 0 | 0 | 0 | 111.3 | L347 M437 L438 L439 M444 V445 | L347-S441 WeakPolarHBondContact CD2-OG 3.27Å; M437-S441 WeakPolarHBondContact O-CB 3.47Å; M437-S441 PolarHBondContact O-N 3.45Å; M437-S441 PolarHBondContact O-OG 3.14Å; L438-S441 VanDerWaalsContact O-CB 3.31Å; L438-S441 WeakPolarHBondContact O-CB 3.39Å; L438-S441 PolarHBondContact O-N 2.89Å; L439-S441 VanDerWaalsContact C-N 3.32Å; L439-S441 PolarHBondContact O-N 3.25Å; S441-M444 PolarHBondContact O-N 3.09Å; S441-V445 WeakPolarHBondContact O-CG2 3.39Å; S441-V445 PolarHBondContact O-N 3.06Å |
| 442 | L | 94.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.8 | -38 | 178.5 | -172.5 | 56.3 | 0 | 0 | 0 | 112.4 | M404 I407 M408 L438 L439 S440 M444 V445 T446 F462 L466 I484 | M404-L442 HydrophobicContact CB-CD1 3.91Å; M404-L442 HydrophobicContact CG-CD1 3.84Å; I407-L442 HydrophobicContact CB-CD1 4.5Å; I407-L442 HydrophobicContact CG2-CB 4.16Å; M408-L442 HydrophobicContact SD-CD2 3.98Å; L438-L442 WeakPolarHBondContact O-CB 3.37Å; L438-L442 PolarHBondContact O-N 2.87Å; L439-L442 CarbonylContact O-C 3.58Å; L439-L442 WeakPolarHBondContact O-CB 3.42Å; L439-L442 PolarHBondContact O-N 3.42Å; L439-L442 VanDerWaalsContact O-N 3.12Å; S440-L442 VanDerWaalsContact C-N 3.31Å; S440-L442 PolarHBondContact O-N 2.79Å; L442-M444 VanDerWaalsContact C-N 3.3Å; L442-M444 PolarHBondContact O-N 2.94Å; L442-V445 CarbonylContact O-C 3.59Å; L442-V445 PolarHBondContact O-N 3.12Å; L442-T446 HydrophobicContact CD1-CG2 4.24Å; L442-T446 HydrophobicContact CG-CG2 4.43Å; L442-T446 WeakPolarHBondContact O-CG2 3.5Å; L442-T446 PolarHBondContact O-N 2.87Å; L442-T446 PolarHBondContact O-OG1 3.03Å; L442-T446 VanDerWaalsContact O-OG1 3.13Å; L442-F462 HydrophobicContact CD1-CE2 4.28Å; L442-F462 HydrophobicContact CD1-CZ 4.25Å; L442-F462 HydrophobicContact CD2-CE2 4.05Å; L442-F462 HydrophobicContact CD2-CZ 3.9Å; L442-F462 HydrophobicContact CG-CZ 4.48Å; L442-L466 HydrophobicContact CD2-CD2 4.34Å; L442-I484 HydrophobicContact CB-CD1 4.14Å; L442-I484 HydrophobicContact CD2-CD1 3.83Å; L442-I484 HydrophobicContact CD2-CG2 4.37Å; L442-I484 HydrophobicContact CG-CD1 4.03Å; L442-I484 HydrophobicContact CG-CG1 4.31Å; L442-I484 HydrophobicContact CG-CG2 4.42Å |
| 443 | I | 94.9 | Very high | 89.7 | Confident | 24 Ų | 24 | 33.1 Ų | 33.1 | 12% | 0.123 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.1 | -45.8 | 172.2 | -72.3 | 173 | 0 | 0 | 0 | 110.7 | L439 S440 V445 T446 S447 L480 E483 I484 N487 | L439-I443 WeakPolarHBondContact O-CG1 3.28Å; L439-I443 PolarHBondContact O-N 3.48Å; S440-I443 PolarHBondContact O-N 3.43Å; I443-V445 VanDerWaalsContact C-N 3.33Å; I443-V445 PolarHBondContact O-N 2.9Å; I443-T446 WeakPolarHBondContact CA-OG1 3.23Å; I443-T446 PolarHBondContact O-N 3.24Å; I443-T446 PolarHBondContact O-OG1 3.45Å; I443-T446 VanDerWaalsContact O-OG1 3.07Å; I443-S447 PolarHBondContact O-N 2.89Å; I443-L480 HydrophobicContact CD1-CB 4.13Å; I443-L480 HydrophobicContact CD1-CD2 3.35Å; I443-L480 HydrophobicContact CD1-CG 4.34Å; I443-E483 HydrophobicContact CD1-CB 3.9Å; I443-E483 HydrophobicContact CG1-CB 4.36Å; I443-I484 HydrophobicContact CD1-CG1 4.49Å; I443-I484 HydrophobicContact CG1-CD1 4.24Å; I443-I484 HydrophobicContact CG1-CG1 3.51Å; I443-N487 PolarHBondContact O-ND2 2.94Å |
| 444 | M | 93.4 | Very high | 89.9 | Confident | 77 Ų | 77 | 30.7 Ų | 30.7 | 38% | 0.379 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -64.4 | -40.2 | 178.9 | -67.3 | -61.5 | -66.1 | 0 | 0 | 111.5 | I385 G389 S440 S441 L442 S447 | I385-M444 HydrophobicContact CG2-CG 3.68Å; G389-M444 VanDerWaalsContact CA-CB 3.49Å; S440-M444 WeakPolarHBondContact O-CG 3.4Å; S440-M444 PolarHBondContact O-N 2.61Å; S441-M444 PolarHBondContact O-N 3.09Å; L442-M444 VanDerWaalsContact C-N 3.3Å; L442-M444 PolarHBondContact O-N 2.94Å; M444-S447 WeakPolarHBondContact O-CB 3.41Å; M444-S447 PolarHBondContact O-N 3.26Å |
| 445 | V | 92.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.7 | -32 | 174.7 | 177.5 | 0 | 0 | 0 | 0 | 112 | F340 I388 R400 V403 M404 I407 S441 L442 I443 | F340-V445 HydrophobicContact CE1-CG2 4.34Å; I388-V445 HydrophobicContact CG2-CG2 3.58Å; R400-V445 HydrophobicContact CG-CG1 3.97Å; R400-V445 PolarHBondContact NE-O 3.38Å; R400-V445 PolarHBondContact NH2-O 3.48Å; V403-V445 HydrophobicContact CG1-CG1 4.11Å; V403-V445 HydrophobicContact CG1-CG2 4.35Å; M404-V445 HydrophobicContact CG-CG1 3.82Å; I407-V445 HydrophobicContact CD1-CB 4.4Å; I407-V445 HydrophobicContact CD1-CG2 3.73Å; S441-V445 WeakPolarHBondContact O-CG2 3.39Å; S441-V445 PolarHBondContact O-N 3.06Å; L442-V445 CarbonylContact O-C 3.59Å; L442-V445 PolarHBondContact O-N 3.12Å; I443-V445 VanDerWaalsContact C-N 3.33Å; I443-V445 PolarHBondContact O-N 2.9Å |
| 446 | T | 92.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -82.6 | -14.5 | 178.4 | 56.4 | 0 | 0 | 0 | 0 | 113.5 | M404 L442 I443 G448 F449 I484 N487 I488 | M404-T446 HydrophobicContact CE-CG2 3.67Å; M404-T446 HydrophobicContact CG-CG2 4.16Å; M404-T446 HydrophobicContact SD-CG2 3.92Å; L442-T446 HydrophobicContact CD1-CG2 4.24Å; L442-T446 HydrophobicContact CG-CG2 4.43Å; L442-T446 WeakPolarHBondContact O-CG2 3.5Å; L442-T446 PolarHBondContact O-N 2.87Å; L442-T446 PolarHBondContact O-OG1 3.03Å; L442-T446 VanDerWaalsContact O-OG1 3.13Å; I443-T446 WeakPolarHBondContact CA-OG1 3.23Å; I443-T446 PolarHBondContact O-N 3.24Å; I443-T446 PolarHBondContact O-OG1 3.45Å; I443-T446 VanDerWaalsContact O-OG1 3.07Å; T446-G448 PolarHBondContact O-N 2.7Å; T446-F449 WeakPolarHBondContact O-CB 3.25Å; T446-F449 PolarHBondContact O-N 2.81Å; T446-I484 HydrophobicContact CG2-CG2 4.33Å; T446-N487 WeakPolarHBondContact OG1-CB 3.31Å; T446-N487 PolarHBondContact OG1-ND2 3.3Å; T446-N487 VanDerWaalsContact OG1-ND2 3.09Å; T446-I488 HydrophobicContact CG2-CD1 3.95Å; T446-I488 HydrophobicContact CG2-CG1 3.85Å |
| 447 | S | 90.4 | Very high | 89.6 | Confident | 68 Ų | 68 | 36.4 Ų | 36.4 | 48% | 0.476 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 108.7 | -177.7 | 179.1 | 0 | 0 | 0 | 0 | 113.1 | R400 I443 M444 | R400-S447 PolarHBondContact NH2-O 3.48Å; I443-S447 PolarHBondContact O-N 2.89Å; M444-S447 WeakPolarHBondContact O-CB 3.41Å; M444-S447 PolarHBondContact O-N 3.26Å |
| 448 | G | 83.6 | Confident | 89.6 | Confident | 57 Ų | 57 | 35.9 Ų | 35.9 | 59% | 0.588 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.3 | 14.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | T446 | T446-G448 PolarHBondContact O-N 2.7Š|
| 449 | F | 87.3 | Confident | 89.6 | Confident | 10 Ų | 10 | 37.4 Ų | 37.4 | 4% | 0.044 | 22% | 0.221 | C | C | . | . | trans | -67 | 131.6 | 168.7 | 177.4 | -114.2 | 0 | 0 | 0 | 110.1 | D397 R400 A401 M404 T446 A457 I488 | D397-F449 HydrophobicContact CB-CD2 4.41Å; D397-F449 HydrophobicContact CB-CE2 3.94Å; D397-F449 WeakPolarHBondContact O-CE2 3.34Å; R400-F449 HydrophobicContact CB-CD2 4.37Å; R400-F449 HydrophobicContact CB-CE2 4.48Å; R400-F449 HydrophobicContact CG-CD2 4.3Å; A401-F449 HydrophobicContact CB-CZ 4.39Å; M404-F449 HydrophobicContact CE-CE1 4.44Å; M404-F449 HydrophobicContact SD-CD1 4.32Å; M404-F449 HydrophobicContact SD-CD2 4.45Å; M404-F449 HydrophobicContact SD-CE1 4.31Å; M404-F449 HydrophobicContact SD-CE2 4.43Å; M404-F449 HydrophobicContact SD-CG 4.37Å; M404-F449 HydrophobicContact SD-CZ 4.36Å; T446-F449 WeakPolarHBondContact O-CB 3.25Å; T446-F449 PolarHBondContact O-N 2.81Å; F449-A457 HydrophobicContact CE1-CB 3.94Å; F449-I488 HydrophobicContact CD1-CG1 4.41Å; F449-I488 HydrophobicContact CE1-CG2 4.46Å | ||
| 450 | K | 82.9 | Confident | 89.3 | Confident | 135 Ų | 135 | 39.5 Ų | 39.5 | 59% | 0.587 | 24% | 0.235 | S | C | * | . | trans | -122.2 | 96.5 | -178.9 | -69.3 | -173.3 | -179.4 | -178.2 | 0 | 110.8 | ||||
| 451 | S | 80.8 | Confident | 89 | Confident | 14 Ų | 14 | 42.3 Ų | 42.3 | 10% | 0.098 | 25% | 0.253 | C | S | . | . | trans | -79.1 | 138.5 | 174.7 | -172.9 | 0 | 0 | 0 | 0 | 112.8 | S453 R491 | S451-S453 PolarHBondContact OG-N 3.34Å; S451-S453 PolarHBondContact OG-O 3.47Å; S451-R491 WeakPolarHBondContact O-CD 3.27Å | ||
| 452 | K | 82 | Confident | 88.9 | Confident | 198 Ų | 198 | 42.4 Ų | 42.4 | 86% | 0.861 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -79.6 | -22.2 | 167.7 | -64.2 | -177 | -179.3 | 177.8 | 0 | 113 | ||
| 453 | S | 87 | Confident | 88.6 | Confident | 16 Ų | 16 | 42.4 Ų | 42.4 | 11% | 0.112 | 25% | 0.253 | C | S | . | . | trans | -145.9 | 125.8 | -174.7 | -178.6 | 0 | 0 | 0 | 0 | 110.8 | S451 S455 A456 A457 Q520 | S451-S453 PolarHBondContact OG-N 3.34Å; S451-S453 PolarHBondContact OG-O 3.47Å; S453-S455 VanDerWaalsContact C-N 3.28Å; S453-S455 PolarHBondContact O-N 3.01Å; S453-A456 PolarHBondContact O-N 3.47Å; S453-A457 PolarHBondContact O-N 2.98Å; S453-Q520 VanDerWaalsContact CB-OE1 3.29Å; S453-Q520 PolarHBondContact OG-OE1 3.14Å | ||
| 454 | M | 90.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.5 | -33.5 | -176.8 | -161.1 | 55 | 61.8 | 0 | 0 | 112.4 | A456 A457 L458 I488 I489 D521 F524 L564 | M454-A456 VanDerWaalsContact C-N 3.25Å; M454-A456 PolarHBondContact O-N 3.41Å; M454-A457 PolarHBondContact O-N 2.88Å; M454-A457 VanDerWaalsContact O-N 3.16Å; M454-A457 HydrophobicContact SD-CB 4.29Å; M454-L458 HydrophobicContact CG-CD1 4.1Å; M454-L458 PolarHBondContact O-N 3.46Å; M454-L458 HydrophobicContact SD-CD1 3.54Å; M454-L458 VanDerWaalsContact SD-CD1 3.54Å; M454-L458 HydrophobicContact SD-CG 3.96Å; M454-I488 HydrophobicContact SD-CG2 4.26Å; M454-I489 HydrophobicContact CE-CB 4.27Å; M454-I489 HydrophobicContact CE-CG1 4.2Å; M454-I489 HydrophobicContact CE-CG2 4.15Å; M454-I489 HydrophobicContact SD-CG1 4.19Å; M454-D521 WeakPolarHBondContact CB-OD1 2.85Å; M454-D521 PolarHBondContact N-OD1 3.4Å; M454-F524 HydrophobicContact CB-CB 4.39Å; M454-F524 HydrophobicContact CB-CD1 3.89Å; M454-F524 HydrophobicContact CB-CD2 4.29Å; M454-F524 HydrophobicContact CB-CE1 4.25Å; M454-F524 HydrophobicContact CB-CG 3.92Å; M454-F524 HydrophobicContact CG-CD1 3.57Å; M454-F524 HydrophobicContact CG-CD2 4.2Å; M454-F524 HydrophobicContact CG-CE1 3.4Å; M454-F524 VanDerWaalsContact CG-CE1 3.4Å; M454-F524 HydrophobicContact CG-CE2 4.05Å; M454-F524 HydrophobicContact CG-CG 3.97Å; M454-F524 HydrophobicContact CG-CZ 3.66Å; M454-L564 HydrophobicContact CB-CD2 4.42Å; M454-L564 HydrophobicContact CE-CD1 4.3Å; M454-L564 HydrophobicContact CE-CD2 4.08Å; M454-L564 HydrophobicContact CG-CD1 4.32Å; M454-L564 HydrophobicContact CG-CD2 4.44Å |
| 455 | S | 87.7 | Confident | 88.1 | Confident | 54 Ų | 54 | 41.6 Ų | 41.6 | 38% | 0.378 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.4 | -29.8 | 176.5 | -56.6 | 0 | 0 | 0 | 0 | 113.6 | S453 | S453-S455 VanDerWaalsContact C-N 3.28Å; S453-S455 PolarHBondContact O-N 3.01Å |
| 456 | A | 86.8 | Confident | 87.9 | Confident | 68 Ų | 68 | 41.6 Ų | 41.6 | 56% | 0.562 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -81.5 | -30.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S453 M454 | S453-A456 PolarHBondContact O-N 3.47Å; M454-A456 VanDerWaalsContact C-N 3.25Å; M454-A456 PolarHBondContact O-N 3.41Å |
| 457 | A | 88.4 | Confident | 87.7 | Confident | 4 Ų | 4 | 42.3 Ų | 42.3 | 3% | 0.033 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -78.6 | -37 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | F449 S453 M454 P459 I488 | F449-A457 HydrophobicContact CE1-CB 3.94Å; S453-A457 PolarHBondContact O-N 2.98Å; M454-A457 PolarHBondContact O-N 2.88Å; M454-A457 VanDerWaalsContact O-N 3.16Å; M454-A457 HydrophobicContact SD-CB 4.29Å; A457-P459 WeakPolarHBondContact O-CD 3.45Å; A457-I488 HydrophobicContact CB-CG2 3.65Å |
| 458 | L | 91.1 | Very high | 87.5 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -124.3 | 63.3 | -177 | -63.3 | 177.3 | 0 | 0 | 0 | 110 | M454 F462 L463 L485 I488 I489 F524 | M454-L458 HydrophobicContact CG-CD1 4.1Å; M454-L458 PolarHBondContact O-N 3.46Å; M454-L458 HydrophobicContact SD-CD1 3.54Å; M454-L458 VanDerWaalsContact SD-CD1 3.54Å; M454-L458 HydrophobicContact SD-CG 3.96Å; L458-F462 HydrophobicContact CD2-CD1 3.79Å; L458-F462 HydrophobicContact CD2-CE1 3.86Å; L458-L463 HydrophobicContact CB-CD1 4.37Å; L458-L463 HydrophobicContact CD1-CD1 4.4Å; L458-L463 HydrophobicContact CD2-CD1 4.39Å; L458-L485 HydrophobicContact CD1-CD2 4.41Å; L458-L485 HydrophobicContact CD2-CD2 4.38Å; L458-I488 HydrophobicContact CD1-CG2 4.31Å; L458-I488 HydrophobicContact CD2-CB 4.43Å; L458-I488 HydrophobicContact CD2-CD1 3.72Å; L458-I488 HydrophobicContact CD2-CG2 3.86Å; L458-I488 HydrophobicContact CG-CG2 3.86Å; L458-I489 HydrophobicContact CD1-CG1 4.3Å; L458-F524 HydrophobicContact CB-CE2 4.04Å; L458-F524 HydrophobicContact CB-CZ 4.09Å; L458-F524 HydrophobicContact CD1-CZ 4.05Å |
| 459 | P | 91.2 | Very high | 87.6 | Confident | 33 Ų | 33 | 37 Ų | 37 | 21% | 0.214 | 21% | 0.209 | C | C | . | . | trans | -66.9 | 153.3 | 173.6 | 31.8 | -36 | 0 | 0 | 0 | 109.9 | M405 A457 P461 F462 L463 | M405-P459 HydrophobicContact SD-CG 3.96Å; A457-P459 WeakPolarHBondContact O-CD 3.45Å; P459-P461 VanDerWaalsContact C-CD 3.44Å; P459-P461 VanDerWaalsContact C-N 3.35Å; P459-F462 HydrophobicContact CG-CB 3.98Å; P459-F462 WeakPolarHBondContact O-CA 3.42Å; P459-F462 VanDerWaalsContact O-CB 3.31Å; P459-F462 WeakPolarHBondContact O-CB 3.38Å; P459-F462 PolarHBondContact O-N 3.18Å; P459-L463 PolarHBondContact O-N 2.99Å | ||
| 460 | P | 88.5 | Confident | 87.4 | Confident | 44 Ų | 44 | 36.6 Ų | 36.6 | 29% | 0.286 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -51.3 | -42.8 | -177.3 | -21.6 | 27.8 | 0 | 0 | 0 | 114.7 | F462 L463 D464 | P460-F462 PolarHBondContact O-N 3.06Å; P460-L463 PolarHBondContact O-N 2.98Å; P460-L463 VanDerWaalsContact O-N 3.11Å; P460-D464 PolarHBondContact O-N 3.48Å |
| 461 | P | 89.1 | Confident | 87.4 | Confident | 86 Ų | 86 | 32.1 Ų | 32.1 | 56% | 0.558 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -63.6 | -13.9 | 177.1 | -22.1 | 34.9 | 0 | 0 | 0 | 115 | M405 P459 P465 | M405-P461 HydrophobicContact CE-CB 3.82Å; P459-P461 VanDerWaalsContact C-CD 3.44Å; P459-P461 VanDerWaalsContact C-N 3.35Å; P461-P465 WeakPolarHBondContact O-CD 3.33Å; P461-P465 WeakPolarHBondContact O-CG 3.5Å |
| 462 | F | 91.3 | Very high | 87.3 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 0% | 0.004 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -94.2 | -45.4 | 170.3 | -169.1 | -106.8 | 0 | 0 | 0 | 111.7 | M404 M405 M408 L442 L458 P459 P460 L466 I484 I488 | M404-F462 HydrophobicContact CB-CE2 3.89Å; M404-F462 HydrophobicContact CB-CZ 4.29Å; M404-F462 HydrophobicContact CE-CE1 4.07Å; M404-F462 HydrophobicContact CE-CE2 4.33Å; M404-F462 HydrophobicContact CE-CZ 3.72Å; M405-F462 HydrophobicContact CE-CB 4.43Å; M405-F462 HydrophobicContact SD-CB 3.51Å; M405-F462 VanDerWaalsContact SD-CB 3.51Å; M405-F462 HydrophobicContact SD-CD2 3.71Å; M405-F462 HydrophobicContact SD-CG 4Å; M408-F462 HydrophobicContact CB-CD2 3.73Å; M408-F462 HydrophobicContact CB-CE2 3.77Å; M408-F462 HydrophobicContact CG-CD2 3.87Å; M408-F462 HydrophobicContact CG-CE2 4.06Å; L442-F462 HydrophobicContact CD1-CE2 4.28Å; L442-F462 HydrophobicContact CD1-CZ 4.25Å; L442-F462 HydrophobicContact CD2-CE2 4.05Å; L442-F462 HydrophobicContact CD2-CZ 3.9Å; L442-F462 HydrophobicContact CG-CZ 4.48Å; L458-F462 HydrophobicContact CD2-CD1 3.79Å; L458-F462 HydrophobicContact CD2-CE1 3.86Å; P459-F462 HydrophobicContact CG-CB 3.98Å; P459-F462 WeakPolarHBondContact O-CA 3.42Å; P459-F462 VanDerWaalsContact O-CB 3.31Å; P459-F462 WeakPolarHBondContact O-CB 3.38Å; P459-F462 PolarHBondContact O-N 3.18Å; P460-F462 PolarHBondContact O-N 3.06Å; F462-L466 HydrophobicContact CD1-CD1 3.63Å; F462-L466 HydrophobicContact CE1-CD1 3.23Å; F462-L466 HydrophobicContact CE1-CG 4.32Å; F462-L466 HydrophobicContact CG-CD1 4.48Å; F462-L466 HydrophobicContact CZ-CD1 3.79Å; F462-L466 WeakPolarHBondContact O-CG 3.45Å; F462-L466 PolarHBondContact O-N 3.48Å; F462-I484 HydrophobicContact CZ-CG2 4.49Å; F462-I488 HydrophobicContact CE1-CD1 3.64Å; F462-I488 HydrophobicContact CZ-CD1 4.12Å |
| 463 | L | 89.6 | Confident | 86.8 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -71.1 | -43.9 | -170.7 | -171.6 | 62.9 | 0 | 0 | 0 | 112.3 | L458 P459 P460 L466 F467 L485 F524 H528 | L458-L463 HydrophobicContact CB-CD1 4.37Å; L458-L463 HydrophobicContact CD1-CD1 4.4Å; L458-L463 HydrophobicContact CD2-CD1 4.39Å; P459-L463 PolarHBondContact O-N 2.99Å; P460-L463 PolarHBondContact O-N 2.98Å; P460-L463 VanDerWaalsContact O-N 3.11Å; L463-L466 PolarHBondContact O-N 3.13Å; L463-F467 HydrophobicContact CD1-CD2 4.1Å; L463-F467 HydrophobicContact CD1-CE1 4.19Å; L463-F467 HydrophobicContact CD1-CE2 3.42Å; L463-F467 VanDerWaalsContact CD1-CE2 3.42Å; L463-F467 HydrophobicContact CD1-CZ 3.45Å; L463-F467 VanDerWaalsContact CD1-CZ 3.45Å; L463-F467 HydrophobicContact CD2-CE2 3.79Å; L463-F467 HydrophobicContact CD2-CZ 4.42Å; L463-F467 HydrophobicContact CG-CD2 3.83Å; L463-F467 HydrophobicContact CG-CE2 3.36Å; L463-F467 HydrophobicContact CG-CZ 3.96Å; L463-F467 WeakPolarHBondContact O-CD2 3.39Å; L463-F467 PolarHBondContact O-N 3.16Å; L463-L485 HydrophobicContact CD1-CD2 4.41Å; L463-F524 HydrophobicContact CD2-CZ 4.39Å; L463-H528 HydrophobicContact CD2-CB 4.07Å |
| 464 | D | 87.8 | Confident | 86.7 | Confident | 52 Ų | 52 | 32.1 Ų | 32.1 | 28% | 0.278 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -64.6 | -47.4 | -177 | -56.5 | -38.6 | 0 | 0 | 0 | 111.3 | P460 L466 F467 S468 Q531 | P460-D464 PolarHBondContact O-N 3.48Å; D464-L466 VanDerWaalsContact C-N 3.33Å; D464-L466 PolarHBondContact O-N 3.34Å; D464-F467 PolarHBondContact O-N 3.42Å; D464-S468 PolarHBondContact O-N 2.95Å; D464-Q531 PolarHBondContact OD1-NE2 3.47Å |
| 465 | P | 88.8 | Confident | 86.6 | Confident | 33 Ų | 33 | 33.2 Ų | 33.2 | 21% | 0.214 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.6 | -37.1 | 173.5 | -29.8 | 40.4 | 0 | 0 | 0 | 114.3 | M408 V413 P461 S468 I469 | M408-P465 HydrophobicContact CE-CB 3.4Å; M408-P465 HydrophobicContact CG-CB 4.29Å; V413-P465 HydrophobicContact CG2-CB 4.1Å; P461-P465 WeakPolarHBondContact O-CD 3.33Å; P461-P465 WeakPolarHBondContact O-CG 3.5Å; P465-S468 WeakPolarHBondContact O-CB 3.29Å; P465-S468 PolarHBondContact O-N 3.21Å; P465-I469 WeakPolarHBondContact O-CG1 3.38Å; P465-I469 PolarHBondContact O-N 3.38Å |
| 466 | L | 90 | Very high | 86.7 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.7 | -45 | 177.4 | -82.5 | 178.4 | 0 | 0 | 0 | 110.9 | M408 L439 L442 F462 L463 D464 S468 I469 S470 V481 I484 | M408-L466 HydrophobicContact CE-CD2 3.93Å; M408-L466 HydrophobicContact CE-CG 4.05Å; M408-L466 HydrophobicContact SD-CD2 3.69Å; M408-L466 HydrophobicContact SD-CG 3.92Å; L439-L466 HydrophobicContact CD2-CD2 4.09Å; L442-L466 HydrophobicContact CD2-CD2 4.34Å; F462-L466 HydrophobicContact CD1-CD1 3.63Å; F462-L466 HydrophobicContact CE1-CD1 3.23Å; F462-L466 HydrophobicContact CE1-CG 4.32Å; F462-L466 HydrophobicContact CG-CD1 4.48Å; F462-L466 HydrophobicContact CZ-CD1 3.79Å; F462-L466 WeakPolarHBondContact O-CG 3.45Å; F462-L466 PolarHBondContact O-N 3.48Å; L463-L466 PolarHBondContact O-N 3.13Å; D464-L466 VanDerWaalsContact C-N 3.33Å; D464-L466 PolarHBondContact O-N 3.34Å; L466-S468 VanDerWaalsContact C-N 3.35Å; L466-I469 PolarHBondContact O-N 3.26Å; L466-S470 WeakPolarHBondContact O-CB 3.45Å; L466-S470 PolarHBondContact O-N 3.11Å; L466-V481 HydrophobicContact CB-CG1 4.32Å; L466-V481 HydrophobicContact CD2-CG1 4.5Å; L466-V481 HydrophobicContact CD2-CG2 4.36Å; L466-I484 HydrophobicContact CD1-CG2 4.04Å; L466-I484 HydrophobicContact CD2-CD1 4.13Å; L466-I484 HydrophobicContact CD2-CG2 4.45Å |
| 467 | F | 88 | Confident | 86.9 | Confident | 15 Ų | 15 | 31.4 Ų | 31.4 | 7% | 0.066 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.3 | -37.7 | 176.6 | -70 | -35.3 | 0 | 0 | 0 | 112.3 | L463 D464 I469 S470 L471 L485 Q531 L532 H535 | L463-F467 HydrophobicContact CD1-CD2 4.1Å; L463-F467 HydrophobicContact CD1-CE1 4.19Å; L463-F467 HydrophobicContact CD1-CE2 3.42Å; L463-F467 VanDerWaalsContact CD1-CE2 3.42Å; L463-F467 HydrophobicContact CD1-CZ 3.45Å; L463-F467 VanDerWaalsContact CD1-CZ 3.45Å; L463-F467 HydrophobicContact CD2-CE2 3.79Å; L463-F467 HydrophobicContact CD2-CZ 4.42Å; L463-F467 HydrophobicContact CG-CD2 3.83Å; L463-F467 HydrophobicContact CG-CE2 3.36Å; L463-F467 HydrophobicContact CG-CZ 3.96Å; L463-F467 WeakPolarHBondContact O-CD2 3.39Å; L463-F467 PolarHBondContact O-N 3.16Å; D464-F467 PolarHBondContact O-N 3.42Å; F467-I469 VanDerWaalsContact C-N 3.3Å; F467-I469 PolarHBondContact O-N 2.93Å; F467-S470 WeakPolarHBondContact CA-OG 3.41Å; F467-S470 WeakPolarHBondContact O-CB 3.38Å; F467-S470 PolarHBondContact O-N 2.96Å; F467-S470 VanDerWaalsContact O-N 3.08Å; F467-S470 PolarHBondContact O-OG 3.48Å; F467-L471 VanDerWaalsContact O-CG 3.28Å; F467-L471 WeakPolarHBondContact O-CG 3.38Å; F467-L471 PolarHBondContact O-N 3.12Å; F467-L471 VanDerWaalsContact O-N 3.14Å; F467-L485 HydrophobicContact CE1-CD1 4.03Å; F467-Q531 HydrophobicContact CD2-CB 3.95Å; F467-Q531 HydrophobicContact CE2-CB 3.55Å; F467-Q531 HydrophobicContact CZ-CB 4.47Å; F467-L532 HydrophobicContact CE1-CD2 4.2Å; F467-L532 HydrophobicContact CZ-CD2 3.63Å; F467-L532 HydrophobicContact CZ-CG 3.97Å; F467-H535 HydrophobicContact CD1-CB 3.8Å; F467-H535 AromaticContact CD1-CG 3.77Å; F467-H535 HydrophobicContact CE1-CB 3.82Å; F467-H535 AromaticContact CE1-CD2 3.93Å; F467-H535 AromaticContact CE1-CG 3.88Å |
| 468 | S | 85.8 | Confident | 87 | Confident | 12 Ų | 12 | 31.3 Ų | 31.3 | 8% | 0.084 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -54.3 | -46.4 | 174.6 | -158.1 | 0 | 0 | 0 | 0 | 112.1 | V413 D464 P465 L466 S470 L471 E692 | V413-S468 WeakPolarHBondContact CG1-OG 3.32Å; D464-S468 PolarHBondContact O-N 2.95Å; P465-S468 WeakPolarHBondContact O-CB 3.29Å; P465-S468 PolarHBondContact O-N 3.21Å; L466-S468 VanDerWaalsContact C-N 3.35Å; S468-S470 VanDerWaalsContact C-N 3.35Å; S468-S470 PolarHBondContact O-N 2.94Å; S468-L471 PolarHBondContact O-N 3.19Å; S468-E692 WeakPolarHBondContact CB-OE2 3.42Å; S468-E692 PolarHBondContact OG-OE2 3.11Å |
| 469 | I | 85.8 | Confident | 87.2 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68.2 | -37.2 | 177.6 | -61.5 | 164.6 | 0 | 0 | 0 | 111.6 | M408 V411 V413 L439 P465 L466 F467 L471 M472 L477 V481 | M408-I469 HydrophobicContact CE-CD1 3.63Å; V411-I469 HydrophobicContact CB-CD1 4.35Å; V411-I469 HydrophobicContact CG1-CD1 3.41Å; V411-I469 VanDerWaalsContact CG1-CD1 3.41Å; V413-I469 HydrophobicContact CG2-CG1 4.47Å; L439-I469 HydrophobicContact CD1-CG2 4.02Å; L439-I469 HydrophobicContact CD2-CD1 4.31Å; P465-I469 WeakPolarHBondContact O-CG1 3.38Å; P465-I469 PolarHBondContact O-N 3.38Å; L466-I469 PolarHBondContact O-N 3.26Å; F467-I469 VanDerWaalsContact C-N 3.3Å; F467-I469 PolarHBondContact O-N 2.93Å; I469-L471 PolarHBondContact O-N 3.41Å; I469-M472 HydrophobicContact CG2-SD 4.26Å; I469-M472 VanDerWaalsContact O-CB 3.25Å; I469-M472 WeakPolarHBondContact O-CB 3.28Å; I469-M472 WeakPolarHBondContact O-CG 3.47Å; I469-M472 PolarHBondContact O-N 3.03Å; I469-L477 HydrophobicContact CG2-CB 4.01Å; I469-L477 HydrophobicContact CG2-CD1 4.19Å; I469-V481 HydrophobicContact CB-CG2 4.38Å; I469-V481 HydrophobicContact CG2-CG2 4.26Å |
| 470 | S | 83.9 | Confident | 87.4 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.007 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.7 | -16.7 | -179.7 | 86.1 | 0 | 0 | 0 | 0 | 114.3 | L466 F467 S468 M472 R478 H535 | L466-S470 WeakPolarHBondContact O-CB 3.45Å; L466-S470 PolarHBondContact O-N 3.11Å; F467-S470 WeakPolarHBondContact CA-OG 3.41Å; F467-S470 WeakPolarHBondContact O-CB 3.38Å; F467-S470 PolarHBondContact O-N 2.96Å; F467-S470 VanDerWaalsContact O-N 3.08Å; F467-S470 PolarHBondContact O-OG 3.48Å; S468-S470 VanDerWaalsContact C-N 3.35Å; S468-S470 PolarHBondContact O-N 2.94Å; S470-M472 VanDerWaalsContact C-N 3.33Å; S470-R478 WeakPolarHBondContact O-CD 3.43Å; S470-R478 WeakPolarHBondContact O-CG 3.36Å; S470-H535 WeakPolarHBondContact CB-CE1 3.42Å; S470-H535 WeakPolarHBondContact CB-ND1 3.42Å; S470-H535 PolarHBondContact OG-CE1 3.42Å; S470-H535 PolarHBondContact OG-ND1 2.99Å |
| 471 | L | 80.9 | Confident | 87.7 | Confident | 41 Ų | 41 | 29.6 Ų | 29.6 | 22% | 0.215 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 3.8 | 176.1 | -63.7 | 168.6 | 0 | 0 | 0 | 112.2 | F467 S468 I469 L538 | F467-L471 VanDerWaalsContact O-CG 3.28Å; F467-L471 WeakPolarHBondContact O-CG 3.38Å; F467-L471 PolarHBondContact O-N 3.12Å; F467-L471 VanDerWaalsContact O-N 3.14Å; S468-L471 PolarHBondContact O-N 3.19Å; I469-L471 PolarHBondContact O-N 3.41Å; L471-L538 HydrophobicContact CD2-CB 3.89Å; L471-L538 HydrophobicContact CD2-CD1 3.51Å; L471-L538 HydrophobicContact CD2-CG 4.35Å |
| 472 | M | 78.8 | Confident | 87.9 | Confident | 39 Ų | 39 | 25.5 Ų | 25.5 | 19% | 0.192 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -75.8 | 150.9 | 172.4 | -64 | -178.7 | 50.3 | 0 | 0 | 110.7 | Y414 I469 S470 D474 L477 R478 | Y414-M472 HydrophobicContact CD2-CE 4.02Å; Y414-M472 HydrophobicContact CD2-SD 3.83Å; Y414-M472 HydrophobicContact CE2-CE 3.37Å; Y414-M472 HydrophobicContact CE2-SD 3.77Å; I469-M472 HydrophobicContact CG2-SD 4.26Å; I469-M472 VanDerWaalsContact O-CB 3.25Å; I469-M472 WeakPolarHBondContact O-CB 3.28Å; I469-M472 WeakPolarHBondContact O-CG 3.47Å; I469-M472 PolarHBondContact O-N 3.03Å; S470-M472 VanDerWaalsContact C-N 3.33Å; M472-D474 PolarHBondContact O-N 3.4Å; M472-L477 HydrophobicContact CE-CD1 3.8Å; M472-L477 HydrophobicContact SD-CD1 4.09Å; M472-R478 PolarHBondContact O-NH1 3.27Å |
| 473 | E | 73.3 | Confident | 88.1 | Confident | 162 Ų | 162 | 27 Ų | 27 | 76% | 0.757 | 14% | 0.137 | S | C | * | . | S | Bend | trans | -61 | -5.3 | 178.2 | -66.3 | 172.6 | -173.2 | 0 | 0 | 113.7 | R478 D544 | E473-R478 PolarHBondContact O-NH1 3.39Å; E473-D544 VanDerWaalsContact O-OD1 3.11Å |
| 474 | D | 84 | Confident | 88.4 | Confident | 28 Ų | 28 | 27 Ų | 27 | 15% | 0.15 | 14% | 0.137 | C | C | . | . | trans | -91.8 | 108.6 | -174.2 | -165.3 | -99.6 | 0 | 0 | 0 | 114.2 | K432 M472 E476 L477 R478 | K432-D474 WeakPolarHBondContact CD-OD2 3.31Å; K432-D474 WeakPolarHBondContact CE-OD1 3.34Å; K432-D474 WeakPolarHBondContact CE-OD2 3.43Å; K432-D474 IonicContact NZ-OD1 3.34Å; K432-D474 IonicContact NZ-OD2 2.63Å; K432-D474 PolarHBondContact NZ-OD2 3.28Å; M472-D474 PolarHBondContact O-N 3.4Å; D474-E476 VanDerWaalsContact C-N 3.28Å; D474-E476 PolarHBondContact O-N 3.08Å; D474-E476 WeakPolarHBondContact OD1-CB 3.37Å; D474-E476 PolarHBondContact OD1-N 2.96Å; D474-L477 HydrophobicContact CB-CB 4.25Å; D474-L477 HydrophobicContact CB-CD1 4.02Å; D474-L477 HydrophobicContact CB-CG 4.11Å; D474-L477 PolarHBondContact O-N 3.05Å; D474-L477 WeakPolarHBondContact OD1-CG 3.36Å; D474-L477 PolarHBondContact OD1-N 3.36Å; D474-L477 VanDerWaalsContact OD1-N 3.09Å; D474-R478 WeakPolarHBondContact O-CG 3.34Å; D474-R478 PolarHBondContact O-N 2.91Å; D474-R478 VanDerWaalsContact O-N 3.09Å | ||
| 475 | S | 87.8 | Confident | 88.7 | Confident | 23 Ų | 23 | 24.5 Ų | 24.5 | 16% | 0.161 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.1 | -30.3 | 179.5 | 50.8 | 0 | 0 | 0 | 0 | 115 | Q479 D544 | S475-Q479 WeakPolarHBondContact O-CB 3.34Å; S475-Q479 WeakPolarHBondContact O-CG 3.26Å; S475-Q479 PolarHBondContact O-N 2.84Å; S475-Q479 PolarHBondContact O-NE2 3.21Å; S475-D544 WeakPolarHBondContact CA-OD2 3.35Å; S475-D544 WeakPolarHBondContact CB-OD2 3.38Å; S475-D544 PolarHBondContact N-OD2 3.32Å; S475-D544 PolarHBondContact OG-OD2 2.97Å |
| 476 | E | 91.1 | Very high | 89 | Confident | 84 Ų | 84 | 23 Ų | 23 | 39% | 0.393 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -67.6 | -48.2 | 177.5 | -176.1 | 179 | -163.6 | 0 | 0 | 110.2 | T436 D474 R478 Q479 L480 | T436-E476 HydrophobicContact CG2-CG 4.35Å; T436-E476 WeakPolarHBondContact CG2-OE1 3.49Å; D474-E476 VanDerWaalsContact C-N 3.28Å; D474-E476 PolarHBondContact O-N 3.08Å; D474-E476 WeakPolarHBondContact OD1-CB 3.37Å; D474-E476 PolarHBondContact OD1-N 2.96Å; E476-R478 VanDerWaalsContact C-N 3.35Å; E476-R478 PolarHBondContact O-N 3.4Å; E476-Q479 PolarHBondContact O-N 3.3Å; E476-L480 WeakPolarHBondContact O-CG 3.49Å; E476-L480 PolarHBondContact O-N 3.33Å |
| 477 | L | 90.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.7 | -42.2 | 175.7 | -64.1 | -180 | 0 | 0 | 0 | 112.2 | K432 Q435 L439 I469 M472 D474 Q479 L480 V481 | K432-L477 HydrophobicContact CG-CD1 4.49Å; Q435-L477 HydrophobicContact CB-CD1 4.29Å; Q435-L477 HydrophobicContact CB-CD2 3.71Å; L439-L477 HydrophobicContact CD1-CD2 3.95Å; I469-L477 HydrophobicContact CG2-CB 4.01Å; I469-L477 HydrophobicContact CG2-CD1 4.19Å; M472-L477 HydrophobicContact CE-CD1 3.8Å; M472-L477 HydrophobicContact SD-CD1 4.09Å; D474-L477 HydrophobicContact CB-CB 4.25Å; D474-L477 HydrophobicContact CB-CD1 4.02Å; D474-L477 HydrophobicContact CB-CG 4.11Å; D474-L477 PolarHBondContact O-N 3.05Å; D474-L477 WeakPolarHBondContact OD1-CG 3.36Å; D474-L477 PolarHBondContact OD1-N 3.36Å; D474-L477 VanDerWaalsContact OD1-N 3.09Å; L477-Q479 PolarHBondContact O-N 3.22Å; L477-L480 HydrophobicContact CD2-CD1 4.48Å; L477-L480 PolarHBondContact O-N 2.97Å; L477-V481 WeakPolarHBondContact O-CG2 3.31Å; L477-V481 PolarHBondContact O-N 3.14Å |
| 478 | R | 90.9 | Very high | 89.5 | Confident | 2 Ų | 2 | 23.4 Ų | 23.4 | 1% | 0.008 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.4 | -43.4 | 177.1 | -64.4 | -162.5 | -58.4 | -90.6 | -1.6 | 112 | S470 M472 E473 D474 E476 L480 V481 L482 E542 D544 N545 | S470-R478 WeakPolarHBondContact O-CD 3.43Å; S470-R478 WeakPolarHBondContact O-CG 3.36Å; M472-R478 PolarHBondContact O-NH1 3.27Å; E473-R478 PolarHBondContact O-NH1 3.39Å; D474-R478 WeakPolarHBondContact O-CG 3.34Å; D474-R478 PolarHBondContact O-N 2.91Å; D474-R478 VanDerWaalsContact O-N 3.09Å; E476-R478 VanDerWaalsContact C-N 3.35Å; E476-R478 PolarHBondContact O-N 3.4Å; R478-L480 VanDerWaalsContact C-N 3.35Å; R478-L480 PolarHBondContact O-N 3.23Å; R478-V481 PolarHBondContact O-N 3.47Å; R478-L482 WeakPolarHBondContact O-CG 3.49Å; R478-L482 PolarHBondContact O-N 3.14Å; R478-E542 IonicContact NH1-OE2 3.58Å; R478-D544 IonicContact CZ-OD1 2.96Å; R478-D544 IonicContact NH1-OD1 3.49Å; R478-D544 PolarHBondContact NH1-OD1 3.49Å; R478-D544 VanDerWaalsContact NH1-OD1 3.16Å; R478-D544 IonicContact NH1-OD2 2.77Å; R478-D544 IonicContact NH2-OD1 2.9Å; R478-D544 PolarHBondContact NH2-OD1 3.4Å; R478-D544 IonicContact NH2-OD2 3.79Å; R478-N545 PolarHBondContact NH2-OD1 2.8Å |
| 479 | Q | 93.9 | Very high | 89.9 | Confident | 22 Ų | 22 | 23 Ų | 23 | 10% | 0.103 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.8 | -45.7 | 174.5 | -70.7 | 170.1 | 47.9 | 0 | 0 | 111.2 | S475 E476 L477 V481 L482 E483 K548 N549 L552 | S475-Q479 WeakPolarHBondContact O-CB 3.34Å; S475-Q479 WeakPolarHBondContact O-CG 3.26Å; S475-Q479 PolarHBondContact O-N 2.84Å; S475-Q479 PolarHBondContact O-NE2 3.21Å; E476-Q479 PolarHBondContact O-N 3.3Å; L477-Q479 PolarHBondContact O-N 3.22Å; Q479-V481 VanDerWaalsContact C-N 3.33Å; Q479-V481 PolarHBondContact O-N 3.34Å; Q479-L482 PolarHBondContact O-N 2.91Å; Q479-E483 VanDerWaalsContact O-CG 3.31Å; Q479-E483 WeakPolarHBondContact O-CG 3.35Å; Q479-E483 PolarHBondContact O-N 3.49Å; Q479-K548 VanDerWaalsContact OE1-CD 3.22Å; Q479-K548 VanDerWaalsContact OE1-NZ 3.08Å; Q479-N549 HydrophobicContact CG-CB 4.4Å; Q479-L552 HydrophobicContact CB-CD1 3.63Å; Q479-L552 HydrophobicContact CG-CD1 3.75Å |
| 480 | L | 95.2 | Very high | 90.3 | Very high | 19 Ų | 19 | 23.7 Ų | 23.7 | 10% | 0.099 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.4 | -41.5 | 178.8 | -65.1 | 171.5 | 0 | 0 | 0 | 112 | T436 L439 I443 E476 L477 R478 E483 I484 | T436-L480 HydrophobicContact CG2-CD1 3.89Å; L439-L480 HydrophobicContact CB-CB 3.96Å; L439-L480 HydrophobicContact CB-CD1 3.93Å; L439-L480 HydrophobicContact CD1-CB 4.1Å; L439-L480 HydrophobicContact CD1-CD1 4.35Å; I443-L480 HydrophobicContact CD1-CB 4.13Å; I443-L480 HydrophobicContact CD1-CD2 3.35Å; I443-L480 HydrophobicContact CD1-CG 4.34Å; E476-L480 WeakPolarHBondContact O-CG 3.49Å; E476-L480 PolarHBondContact O-N 3.33Å; L477-L480 HydrophobicContact CD2-CD1 4.48Å; L477-L480 PolarHBondContact O-N 2.97Å; R478-L480 VanDerWaalsContact C-N 3.35Å; R478-L480 PolarHBondContact O-N 3.23Å; L480-E483 PolarHBondContact O-N 3.42Å; L480-I484 WeakPolarHBondContact O-CD1 3.46Å; L480-I484 VanDerWaalsContact O-CG1 3.27Å; L480-I484 WeakPolarHBondContact O-CG1 3.32Å; L480-I484 PolarHBondContact O-N 2.94Å |
| 481 | V | 94.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.3 | -44.9 | 175.7 | 175.4 | 0 | 0 | 0 | 0 | 111.4 | L439 L466 I469 L477 R478 Q479 E483 I484 L485 | L439-V481 HydrophobicContact CD1-CG2 4.24Å; L466-V481 HydrophobicContact CB-CG1 4.32Å; L466-V481 HydrophobicContact CD2-CG1 4.5Å; L466-V481 HydrophobicContact CD2-CG2 4.36Å; I469-V481 HydrophobicContact CB-CG2 4.38Å; I469-V481 HydrophobicContact CG2-CG2 4.26Å; L477-V481 WeakPolarHBondContact O-CG2 3.31Å; L477-V481 PolarHBondContact O-N 3.14Å; R478-V481 PolarHBondContact O-N 3.47Å; Q479-V481 VanDerWaalsContact C-N 3.33Å; Q479-V481 PolarHBondContact O-N 3.34Å; V481-E483 VanDerWaalsContact C-N 3.3Å; V481-E483 PolarHBondContact O-N 3.45Å; V481-I484 WeakPolarHBondContact O-CB 3.32Å; V481-I484 PolarHBondContact O-N 3.01Å; V481-L485 HydrophobicContact CG1-CD1 4.15Å; V481-L485 HydrophobicContact CG1-CG 4.43Å; V481-L485 WeakPolarHBondContact O-CG 3.31Å; V481-L485 PolarHBondContact O-N 3.41Å |
| 482 | L | 94.6 | Very high | 91 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.5 | -43 | 176.3 | -69 | 166.3 | 0 | 0 | 0 | 111.1 | R478 Q479 I484 L485 H486 H535 L552 L553 T556 | R478-L482 WeakPolarHBondContact O-CG 3.49Å; R478-L482 PolarHBondContact O-N 3.14Å; Q479-L482 PolarHBondContact O-N 2.91Å; L482-I484 PolarHBondContact O-N 3.2Å; L482-L485 PolarHBondContact O-N 2.92Å; L482-H486 PolarHBondContact O-CD2 2.9Å; L482-H486 PolarHBondContact O-N 3.38Å; L482-H486 PolarHBondContact O-NE2 2.99Å; L482-H535 WeakPolarHBondContact CD2-NE2 3.32Å; L482-L552 HydrophobicContact CB-CB 4.01Å; L482-L552 HydrophobicContact CB-CD1 4.26Å; L482-L552 HydrophobicContact CD1-CB 3.73Å; L482-L552 HydrophobicContact CD1-CD1 4.45Å; L482-L552 HydrophobicContact CG-CB 4.47Å; L482-L553 HydrophobicContact CD1-CD2 4.14Å; L482-L553 HydrophobicContact CD1-CG 4.12Å; L482-L553 HydrophobicContact CD2-CD2 4.09Å; L482-T556 VanDerWaalsContact CD2-OG1 3.28Å; L482-T556 WeakPolarHBondContact CD2-OG1 3.38Å |
| 483 | E | 95.5 | Very high | 91.6 | Very high | 32 Ų | 32 | 29 Ų | 29 | 15% | 0.15 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.9 | -37.6 | 177.5 | -66.6 | -164.3 | -144.1 | 0 | 0 | 112.8 | I443 Q479 L480 V481 H486 N487 R495 K548 L552 | I443-E483 HydrophobicContact CD1-CB 3.9Å; I443-E483 HydrophobicContact CG1-CB 4.36Å; Q479-E483 VanDerWaalsContact O-CG 3.31Å; Q479-E483 WeakPolarHBondContact O-CG 3.35Å; Q479-E483 PolarHBondContact O-N 3.49Å; L480-E483 PolarHBondContact O-N 3.42Å; V481-E483 VanDerWaalsContact C-N 3.3Å; V481-E483 PolarHBondContact O-N 3.45Å; E483-H486 PolarHBondContact O-N 2.87Å; E483-N487 PolarHBondContact O-N 3.24Å; E483-R495 IonicContact OE2-NH2 3.16Å; E483-R495 PolarHBondContact OE2-NH2 2.99Å; E483-K548 IonicContact OE1-NZ 2.71Å; E483-K548 PolarHBondContact OE1-NZ 3.15Å; E483-L552 HydrophobicContact CG-CD1 3.95Å; E483-L552 HydrophobicContact CG-CD2 3.83Å |
| 484 | I | 95.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.7 | -47.6 | 172.3 | -69.7 | 160.9 | 0 | 0 | 0 | 110.4 | L439 L442 I443 T446 F462 L466 L480 V481 L482 H486 N487 I488 | L439-I484 HydrophobicContact CB-CD1 4.16Å; L439-I484 HydrophobicContact CD2-CD1 3.69Å; L439-I484 HydrophobicContact CG-CD1 4.47Å; L442-I484 HydrophobicContact CB-CD1 4.14Å; L442-I484 HydrophobicContact CD2-CD1 3.83Å; L442-I484 HydrophobicContact CD2-CG2 4.37Å; L442-I484 HydrophobicContact CG-CD1 4.03Å; L442-I484 HydrophobicContact CG-CG1 4.31Å; L442-I484 HydrophobicContact CG-CG2 4.42Å; I443-I484 HydrophobicContact CD1-CG1 4.49Å; I443-I484 HydrophobicContact CG1-CD1 4.24Å; I443-I484 HydrophobicContact CG1-CG1 3.51Å; T446-I484 HydrophobicContact CG2-CG2 4.33Å; F462-I484 HydrophobicContact CZ-CG2 4.49Å; L466-I484 HydrophobicContact CD1-CG2 4.04Å; L466-I484 HydrophobicContact CD2-CD1 4.13Å; L466-I484 HydrophobicContact CD2-CG2 4.45Å; L480-I484 WeakPolarHBondContact O-CD1 3.46Å; L480-I484 VanDerWaalsContact O-CG1 3.27Å; L480-I484 WeakPolarHBondContact O-CG1 3.32Å; L480-I484 PolarHBondContact O-N 2.94Å; V481-I484 WeakPolarHBondContact O-CB 3.32Å; V481-I484 PolarHBondContact O-N 3.01Å; L482-I484 PolarHBondContact O-N 3.2Å; I484-H486 VanDerWaalsContact C-N 3.33Å; I484-H486 PolarHBondContact O-N 3.43Å; I484-N487 PolarHBondContact O-N 3.15Å; I484-I488 HydrophobicContact CG2-CD1 3.79Å; I484-I488 WeakPolarHBondContact O-CG1 3.21Å; I484-I488 PolarHBondContact O-N 3.36Å; I484-I488 VanDerWaalsContact O-N 3.15Å |
| 485 | L | 94.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.8 | -41.2 | 178 | -69.8 | 172.7 | 0 | 0 | 0 | 111.3 | L458 L463 F467 V481 L482 N487 I488 I489 | L458-L485 HydrophobicContact CD1-CD2 4.41Å; L458-L485 HydrophobicContact CD2-CD2 4.38Å; L463-L485 HydrophobicContact CD1-CD2 4.41Å; F467-L485 HydrophobicContact CE1-CD1 4.03Å; V481-L485 HydrophobicContact CG1-CD1 4.15Å; V481-L485 HydrophobicContact CG1-CG 4.43Å; V481-L485 WeakPolarHBondContact O-CG 3.31Å; V481-L485 PolarHBondContact O-N 3.41Å; L482-L485 PolarHBondContact O-N 2.92Å; L485-N487 PolarHBondContact O-N 3.33Å; L485-I488 PolarHBondContact O-N 3.33Å; L485-I489 HydrophobicContact CB-CD1 4.23Å; L485-I489 WeakPolarHBondContact O-CB 3.44Å; L485-I489 WeakPolarHBondContact O-CG1 3.37Å; L485-I489 PolarHBondContact O-N 3.23Å |
| 486 | H | 94.5 | Very high | 93 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.9 | -47.6 | 176.2 | -62.1 | 166.4 | 0 | 0 | 0 | 111.5 | L482 E483 I484 I488 I489 D490 L552 T556 I559 | L482-H486 PolarHBondContact O-CD2 2.9Å; L482-H486 PolarHBondContact O-N 3.38Å; L482-H486 PolarHBondContact O-NE2 2.99Å; E483-H486 PolarHBondContact O-N 2.87Å; I484-H486 VanDerWaalsContact C-N 3.33Å; I484-H486 PolarHBondContact O-N 3.43Å; H486-I488 PolarHBondContact O-N 3.33Å; H486-I489 PolarHBondContact O-N 3.43Å; H486-D490 WeakPolarHBondContact O-CB 3.48Å; H486-D490 PolarHBondContact O-N 3.45Å; H486-L552 PolarHBondContact CE1-O 2.94Å; H486-L552 PolarHBondContact NE2-O 3.01Å; H486-L552 VanDerWaalsContact NE2-O 3.1Å; H486-T556 PolarHBondContact NE2-N 3.36Å; H486-T556 PolarHBondContact NE2-OG1 2.9Å; H486-I559 HydrophobicContact CB-CD1 3.99Å |
| 487 | N | 94.2 | Very high | 93 | Very high | 24 Ų | 24 | 24.1 Ų | 24.1 | 13% | 0.128 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.6 | -32.7 | -180 | -75.6 | -2.9 | 0 | 0 | 0 | 112.9 | I443 T446 E483 I484 L485 R495 | I443-N487 PolarHBondContact O-ND2 2.94Å; T446-N487 WeakPolarHBondContact OG1-CB 3.31Å; T446-N487 PolarHBondContact OG1-ND2 3.3Å; T446-N487 VanDerWaalsContact OG1-ND2 3.09Å; E483-N487 PolarHBondContact O-N 3.24Å; I484-N487 PolarHBondContact O-N 3.15Å; L485-N487 PolarHBondContact O-N 3.33Å; N487-R495 PolarHBondContact OD1-NH1 3.18Å |
| 488 | I | 94.1 | Very high | 93 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -83.7 | -39.9 | -178.9 | -64 | 168.4 | 0 | 0 | 0 | 111.8 | M404 T446 F449 M454 A457 L458 F462 I484 L485 H486 | M404-I488 HydrophobicContact CE-CD1 3.49Å; M404-I488 VanDerWaalsContact CE-CD1 3.49Å; M404-I488 HydrophobicContact CE-CG1 3.94Å; T446-I488 HydrophobicContact CG2-CD1 3.95Å; T446-I488 HydrophobicContact CG2-CG1 3.85Å; F449-I488 HydrophobicContact CD1-CG1 4.41Å; F449-I488 HydrophobicContact CE1-CG2 4.46Å; M454-I488 HydrophobicContact SD-CG2 4.26Å; A457-I488 HydrophobicContact CB-CG2 3.65Å; L458-I488 HydrophobicContact CD1-CG2 4.31Å; L458-I488 HydrophobicContact CD2-CB 4.43Å; L458-I488 HydrophobicContact CD2-CD1 3.72Å; L458-I488 HydrophobicContact CD2-CG2 3.86Å; L458-I488 HydrophobicContact CG-CG2 3.86Å; F462-I488 HydrophobicContact CE1-CD1 3.64Å; F462-I488 HydrophobicContact CZ-CD1 4.12Å; I484-I488 HydrophobicContact CG2-CD1 3.79Å; I484-I488 WeakPolarHBondContact O-CG1 3.21Å; I484-I488 PolarHBondContact O-N 3.36Å; I484-I488 VanDerWaalsContact O-N 3.15Å; L485-I488 PolarHBondContact O-N 3.33Å; H486-I488 PolarHBondContact O-N 3.33Å |
| 489 | I | 94.1 | Very high | 92.7 | Very high | 3 Ų | 3 | 33.7 Ų | 33.7 | 2% | 0.015 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -80.8 | -36.9 | -174.5 | -58 | 167.8 | 0 | 0 | 0 | 111.3 | M454 L458 L485 H486 R491 I559 L560 E563 L564 | M454-I489 HydrophobicContact CE-CB 4.27Å; M454-I489 HydrophobicContact CE-CG1 4.2Å; M454-I489 HydrophobicContact CE-CG2 4.15Å; M454-I489 HydrophobicContact SD-CG1 4.19Å; L458-I489 HydrophobicContact CD1-CG1 4.3Å; L485-I489 HydrophobicContact CB-CD1 4.23Å; L485-I489 WeakPolarHBondContact O-CB 3.44Å; L485-I489 WeakPolarHBondContact O-CG1 3.37Å; L485-I489 PolarHBondContact O-N 3.23Å; H486-I489 PolarHBondContact O-N 3.43Å; I489-R491 PolarHBondContact O-N 3.14Å; I489-I559 HydrophobicContact CB-CG2 3.82Å; I489-I559 HydrophobicContact CG2-CG2 3.48Å; I489-I559 VanDerWaalsContact CG2-CG2 3.48Å; I489-L560 HydrophobicContact CD1-CD2 4.04Å; I489-E563 HydrophobicContact CG2-CB 4.03Å; I489-E563 HydrophobicContact CG2-CG 4.4Å; I489-E563 VanDerWaalsContact O-CG 3.32Å; I489-E563 WeakPolarHBondContact O-CG 3.35Å; I489-L564 HydrophobicContact CG2-CD1 3.88Å; I489-L564 HydrophobicContact CG2-CG 4.16Å |
| 490 | D | 93.3 | Very high | 92.4 | Very high | 16 Ų | 16 | 33.4 Ų | 33.4 | 9% | 0.086 | 17% | 0.166 | C | C | . | . | trans | -77.3 | 76.4 | -176.3 | -172.8 | 24.2 | 0 | 0 | 0 | 113.5 | H486 H492 D493 N494 R495 I559 | H486-D490 WeakPolarHBondContact O-CB 3.48Å; H486-D490 PolarHBondContact O-N 3.45Å; D490-H492 PolarHBondContact O-N 3.2Å; D490-D493 PolarHBondContact OD1-N 3.23Å; D490-D493 VanDerWaalsContact OD2-CA 3.31Å; D490-D493 WeakPolarHBondContact OD2-CA 3.46Å; D490-N494 VanDerWaalsContact CG-N 3.26Å; D490-N494 PolarHBondContact OD1-N 2.87Å; D490-N494 PolarHBondContact OD2-N 3.15Å; D490-R495 WeakPolarHBondContact OD2-CB 3.32Å; D490-R495 PolarHBondContact OD2-N 3.27Å; D490-I559 HydrophobicContact CB-CD1 4.07Å; D490-I559 HydrophobicContact CB-CG1 4.44Å; D490-I559 HydrophobicContact CB-CG2 4.11Å | ||
| 491 | R | 89.9 | Confident | 92.3 | Very high | 39 Ų | 39 | 33.1 Ų | 33.1 | 15% | 0.147 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -24.9 | -179.4 | -65 | -179.5 | -66.7 | -159.7 | -6.5 | 113.5 | S451 I489 D521 E563 | S451-R491 WeakPolarHBondContact O-CD 3.27Å; I489-R491 PolarHBondContact O-N 3.14Å; R491-D521 IonicContact CZ-OD2 3.54Å; R491-D521 IonicContact NH1-OD2 2.73Å; R491-D521 PolarHBondContact NH1-OD2 3.16Å; R491-D521 IonicContact NH2-OD2 2.8Å; R491-E563 IonicContact CZ-OE2 2.89Å; R491-E563 IonicContact NE-OE2 2.61Å; R491-E563 PolarHBondContact NE-OE2 3.22Å; R491-E563 PolarHBondContact NH2-O 2.88Å; R491-E563 VanDerWaalsContact NH2-O 3.16Å; R491-E563 IonicContact NH2-OE2 2.79Å; R491-E563 PolarHBondContact NH2-OE2 3.01Å; R491-E563 VanDerWaalsContact NH2-OE2 3.16Å |
| 492 | H | 90.8 | Very high | 92.2 | Very high | 32 Ų | 32 | 37.1 Ų | 37.1 | 15% | 0.148 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | 9.6 | -171.4 | -57.7 | 96.9 | 0 | 0 | 0 | 114.7 | D490 N494 K513 E515 E563 | D490-H492 PolarHBondContact O-N 3.2Å; H492-N494 PolarHBondContact O-N 3.24Å; H492-K513 HydrophobicContact CB-CB 3.81Å; H492-E515 VanDerWaalsContact NE2-CG 3.32Å; H492-E515 WeakPolarHBondContact NE2-CG 3.5Å; H492-E515 IonicContact NE2-OE1 3.32Å; H492-E515 PolarHBondContact NE2-OE1 3.36Å; H492-E515 IonicContact NE2-OE2 2.68Å; H492-E563 IonicContact CE1-OE1 2.81Å; H492-E563 IonicContact CE1-OE2 3.87Å; H492-E563 PolarHBondContact CE1-OE2 3.16Å; H492-E563 IonicContact CG-OE1 3.98Å; H492-E563 VanDerWaalsContact ND1-CD 3.3Å; H492-E563 IonicContact ND1-OE1 3.87Å; H492-E563 PolarHBondContact ND1-OE1 2.94Å; H492-E563 IonicContact ND1-OE2 3.35Å; H492-E563 PolarHBondContact ND1-OE2 3.02Å; H492-E563 VanDerWaalsContact ND1-OE2 3.14Å |
| 493 | D | 90.8 | Very high | 92.3 | Very high | 121 Ų | 121 | 38.5 Ų | 38.5 | 65% | 0.647 | 19% | 0.186 | S | C | * | . | trans | 55.9 | 48.2 | 178.2 | -166.9 | 30.5 | 0 | 0 | 0 | 112.1 | D490 | D490-D493 PolarHBondContact OD1-N 3.23Å; D490-D493 VanDerWaalsContact OD2-CA 3.31Å; D490-D493 WeakPolarHBondContact OD2-CA 3.46Å | ||
| 494 | N | 92.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -86.6 | -16.5 | 176 | -68.8 | -58 | 0 | 0 | 0 | 113 | D490 H492 A496 K497 L498 K513 I562 | D490-N494 VanDerWaalsContact CG-N 3.26Å; D490-N494 PolarHBondContact OD1-N 2.87Å; D490-N494 PolarHBondContact OD2-N 3.15Å; H492-N494 PolarHBondContact O-N 3.24Å; N494-A496 VanDerWaalsContact C-N 3.27Å; N494-A496 PolarHBondContact O-N 2.89Å; N494-K497 WeakPolarHBondContact O-CB 3.38Å; N494-K497 PolarHBondContact O-N 3Å; N494-K497 PolarHBondContact OD1-NZ 3.2Å; N494-L498 PolarHBondContact O-N 3.39Å; N494-K513 PolarHBondContact ND2-O 3.44Å; N494-K513 PolarHBondContact OD1-N 2.86Å; N494-I562 HydrophobicContact CB-CD1 4.24Å | ||
| 495 | R | 91.1 | Very high | 91.9 | Very high | 63 Ų | 63 | 43 Ų | 43 | 24% | 0.238 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -51.1 | -44.1 | -178.2 | -177.3 | -179.6 | -177.5 | -165 | -5.8 | 112.3 | E483 N487 D490 K497 L498 R499 T555 I559 | E483-R495 IonicContact OE2-NH2 3.16Å; E483-R495 PolarHBondContact OE2-NH2 2.99Å; N487-R495 PolarHBondContact OD1-NH1 3.18Å; D490-R495 WeakPolarHBondContact OD2-CB 3.32Å; D490-R495 PolarHBondContact OD2-N 3.27Å; R495-K497 PolarHBondContact O-N 3.37Å; R495-L498 PolarHBondContact O-N 2.85Å; R495-R499 PolarHBondContact O-N 2.92Å; R495-T555 HydrophobicContact CG-CG2 4.15Å; R495-I559 HydrophobicContact CB-CD1 4.36Å |
| 496 | A | 90.8 | Very high | 91.7 | Very high | 77 Ų | 77 | 47.1 Ų | 47.1 | 64% | 0.636 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -59.7 | -29.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | N494 | N494-A496 VanDerWaalsContact C-N 3.27Å; N494-A496 PolarHBondContact O-N 2.89Å |
| 497 | K | 92.3 | Very high | 91.5 | Very high | 54 Ų | 54 | 47.4 Ų | 47.4 | 24% | 0.235 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -79.2 | -22.1 | 179.6 | -55.3 | 163.2 | -176.6 | 172.8 | 0 | 112.5 | N494 R495 L510 K511 | N494-K497 WeakPolarHBondContact O-CB 3.38Å; N494-K497 PolarHBondContact O-N 3Å; N494-K497 PolarHBondContact OD1-NZ 3.2Å; R495-K497 PolarHBondContact O-N 3.37Å; K497-L510 WeakPolarHBondContact CD-O 3.46Å; K497-K511 PolarHBondContact NZ-O 2.94Å |
| 498 | L | 90.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -97.4 | 2.5 | -176.4 | -61.8 | 169.5 | 0 | 0 | 0 | 113 | N494 R495 G500 A558 I559 I562 F609 | N494-L498 PolarHBondContact O-N 3.39Å; R495-L498 PolarHBondContact O-N 2.85Å; L498-G500 PolarHBondContact O-N 2.91Å; L498-A558 HydrophobicContact CD1-CB 3.75Å; L498-A558 HydrophobicContact CD2-CB 4.11Å; L498-A558 HydrophobicContact CG-CB 4.48Å; L498-I559 HydrophobicContact CD1-CG1 4.01Å; L498-I562 HydrophobicContact CD1-CD1 3.81Å; L498-F609 HydrophobicContact CD2-CD2 4.46Å; L498-F609 HydrophobicContact CD2-CE2 3.87Å; L498-F609 HydrophobicContact CD2-CZ 4.27Å |
| 499 | R | 84.2 | Confident | 91.1 | Very high | 203 Ų | 203 | 53.3 Ų | 53.3 | 77% | 0.766 | 29% | 0.294 | S | S | * | . | trans | -62.1 | 129.6 | -176 | -169 | 178.2 | -175.9 | 168.1 | 2.4 | 111.6 | R495 R502 | R495-R499 PolarHBondContact O-N 2.92Å; R499-R502 PolarHBondContact O-NH1 3.39Å | ||
| 500 | G | 86.3 | Confident | 90.8 | Very high | 17 Ų | 17 | 54.9 Ų | 54.9 | 18% | 0.175 | 30% | 0.302 | C | S | . | . | S | Bend | trans | 83.8 | 116.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L498 R502 E551 | L498-G500 PolarHBondContact O-N 2.91Å; G500-R502 PolarHBondContact O-N 3.39Å; G500-R502 PolarHBondContact O-NH1 2.98Å; G500-E551 WeakPolarHBondContact CA-OE1 3.38Å |
| 501 | I | 93.3 | Very high | 90.7 | Very high | 13 Ų | 13 | 62.2 Ų | 62.2 | 7% | 0.067 | 33% | 0.333 | C | S | . | . | trans | -65.2 | 123.7 | 176.9 | -173 | 174.2 | 0 | 0 | 0 | 109.9 | E551 F554 L602 A605 P639 F643 | I501-E551 HydrophobicContact CB-CG 4.18Å; I501-E551 HydrophobicContact CG2-CG 3.8Å; I501-F554 HydrophobicContact CB-CB 4.4Å; I501-F554 HydrophobicContact CB-CG 4.47Å; I501-F554 HydrophobicContact CD1-CB 4.12Å; I501-F554 HydrophobicContact CG1-CB 4.11Å; I501-F554 HydrophobicContact CG1-CD2 4.37Å; I501-F554 HydrophobicContact CG1-CG 4.09Å; I501-L602 HydrophobicContact CD1-CB 4.26Å; I501-L602 HydrophobicContact CD1-CD1 4.09Å; I501-A605 HydrophobicContact CD1-CB 4.21Å; I501-A605 HydrophobicContact CG1-CB 3.76Å; I501-P639 HydrophobicContact CB-CB 4.5Å; I501-P639 HydrophobicContact CD1-CB 4.29Å; I501-P639 HydrophobicContact CG1-CB 3.87Å; I501-P639 HydrophobicContact CG1-CG 4.49Å; I501-P639 HydrophobicContact CG2-CB 4.18Å; I501-F643 HydrophobicContact CD1-CE2 3.95Å; I501-F643 HydrophobicContact CG2-CD2 3.65Å; I501-F643 HydrophobicContact CG2-CE2 3.58Å | ||
| 502 | R | 94 | Very high | 90.8 | Very high | 83 Ų | 83 | 62 Ų | 62 | 31% | 0.313 | 34% | 0.335 | S | S | . | . | trans | -161.6 | 162 | -179.3 | 64.7 | -176.2 | 178 | -81.7 | 3.7 | 111.1 | R499 G500 I504 | R499-R502 PolarHBondContact O-NH1 3.39Å; G500-R502 PolarHBondContact O-N 3.39Å; G500-R502 PolarHBondContact O-NH1 2.98Å; R502-I504 HydrophobicContact CG-CG1 4.1Å; R502-I504 PolarHBondContact O-N 3.41Å | ||
| 503 | I | 95.3 | Very high | 90.8 | Very high | 31 Ų | 31 | 66.7 Ų | 66.7 | 16% | 0.159 | 36% | 0.355 | C | S | . | . | trans | -71.5 | 120.3 | 162.5 | -55.6 | -49.9 | 0 | 0 | 0 | 107.9 | P505 A604 A605 N608 I627 L638 P639 E640 | I503-P505 WeakPolarHBondContact O-CD 3.01Å; I503-A604 HydrophobicContact CD1-CB 4.16Å; I503-A605 HydrophobicContact CD1-CB 4.43Å; I503-N608 HydrophobicContact CD1-CB 4.43Å; I503-N608 HydrophobicContact CG2-CB 4.48Å; I503-I627 HydrophobicContact CD1-CD1 4.26Å; I503-I627 HydrophobicContact CG1-CG2 4.25Å; I503-I627 HydrophobicContact CG2-CD1 4.34Å; I503-I627 HydrophobicContact CG2-CG2 4.18Å; I503-L638 HydrophobicContact CD1-CD2 4.32Å; I503-L638 HydrophobicContact CG1-CD2 4.43Å; I503-P639 HydrophobicContact CD1-CG 4.12Å; I503-P639 HydrophobicContact CG1-CG 4.22Å; I503-E640 WeakPolarHBondContact CB-OE1 3.45Å; I503-E640 WeakPolarHBondContact CG1-OE1 3.48Å; I503-E640 PolarHBondContact N-OE1 3.09Å | ||
| 504 | I | 93.1 | Very high | 90.7 | Very high | 4 Ų | 4 | 66.7 Ų | 66.7 | 2% | 0.021 | 35% | 0.346 | C | S | . | . | trans | -93.7 | 111.6 | -177.5 | -63.1 | 163.6 | 0 | 0 | 0 | 107.8 | R502 N506 V507 L510 F554 N608 F609 Q612 | R502-I504 HydrophobicContact CG-CG1 4.1Å; R502-I504 PolarHBondContact O-N 3.41Å; I504-N506 VanDerWaalsContact C-N 3.3Å; I504-N506 PolarHBondContact O-N 3.16Å; I504-V507 HydrophobicContact CB-CG2 4.08Å; I504-V507 HydrophobicContact CG2-CB 4.42Å; I504-V507 HydrophobicContact CG2-CG2 3.66Å; I504-L510 HydrophobicContact CD1-CD1 3.97Å; I504-L510 HydrophobicContact CG2-CD1 3.93Å; I504-L510 HydrophobicContact CG2-CG 4.42Å; I504-F554 HydrophobicContact CD1-CZ 4.09Å; I504-N608 PolarHBondContact N-OD1 3.21Å; I504-N608 PolarHBondContact O-OD1 2.84Å; I504-F609 HydrophobicContact CD1-CD2 3.9Å; I504-Q612 PolarHBondContact O-NE2 3.18Å | ||
| 505 | P | 89.4 | Confident | 90.5 | Very high | 122 Ų | 122 | 72.8 Ų | 72.8 | 79% | 0.792 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -68.2 | -30.8 | -174.8 | 26 | -34.3 | 0 | 0 | 0 | 112.8 | I503 | I503-P505 WeakPolarHBondContact O-CD 3.01Š|
| 506 | N | 90.3 | Very high | 90.3 | Very high | 86 Ų | 86 | 79.3 Ų | 79.3 | 46% | 0.46 | 40% | 0.404 | S | S | . | . | trans | -147.5 | 100.3 | 177.5 | -176.9 | -5.2 | 0 | 0 | 0 | 110.8 | I504 A508 A509 | I504-N506 VanDerWaalsContact C-N 3.3Å; I504-N506 PolarHBondContact O-N 3.16Å; N506-A508 VanDerWaalsContact C-N 3.27Å; N506-A508 PolarHBondContact O-N 3.35Å; N506-A508 WeakPolarHBondContact OD1-CA 3.47Å; N506-A508 VanDerWaalsContact OD1-CB 3.27Å; N506-A508 WeakPolarHBondContact OD1-CB 3.36Å; N506-A508 PolarHBondContact OD1-N 3.02Å; N506-A509 HydrophobicContact CB-CB 4.28Å; N506-A509 WeakPolarHBondContact O-CB 3.46Å; N506-A509 PolarHBondContact O-N 2.97Å; N506-A509 PolarHBondContact OD1-N 3Å | ||
| 507 | V | 90.7 | Very high | 90.3 | Very high | 7 Ų | 7 | 77.3 Ų | 77.3 | 4% | 0.042 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -64.8 | -30.8 | 177.9 | 173.6 | 0 | 0 | 0 | 0 | 111.9 | I504 A509 L510 I512 F609 Q612 M613 | I504-V507 HydrophobicContact CB-CG2 4.08Å; I504-V507 HydrophobicContact CG2-CB 4.42Å; I504-V507 HydrophobicContact CG2-CG2 3.66Å; V507-A509 PolarHBondContact O-N 3.36Å; V507-L510 WeakPolarHBondContact O-CB 3.42Å; V507-L510 PolarHBondContact O-N 3.07Å; V507-I512 HydrophobicContact CG1-CD1 3.59Å; V507-F609 HydrophobicContact CG1-CD2 4.16Å; V507-F609 HydrophobicContact CG1-CE2 3.85Å; V507-F609 HydrophobicContact CG2-CD2 3.78Å; V507-F609 HydrophobicContact CG2-CE2 4.3Å; V507-Q612 HydrophobicContact CB-CB 3.95Å; V507-Q612 HydrophobicContact CG2-CB 3.79Å; V507-Q612 HydrophobicContact CG2-CG 4.34Å; V507-M613 HydrophobicContact CG1-CG 4.2Å; V507-M613 HydrophobicContact CG1-SD 3.69Å |
| 508 | A | 89.3 | Confident | 90.2 | Very high | 80 Ų | 80 | 76.7 Ų | 76.7 | 66% | 0.661 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -63.4 | -29.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | N506 L510 K511 | N506-A508 VanDerWaalsContact C-N 3.27Å; N506-A508 PolarHBondContact O-N 3.35Å; N506-A508 WeakPolarHBondContact OD1-CA 3.47Å; N506-A508 VanDerWaalsContact OD1-CB 3.27Å; N506-A508 WeakPolarHBondContact OD1-CB 3.36Å; N506-A508 PolarHBondContact OD1-N 3.02Å; A508-L510 PolarHBondContact O-N 3.36Å; A508-K511 PolarHBondContact O-N 3.04Å |
| 509 | A | 90.7 | Very high | 90.2 | Very high | 68 Ų | 68 | 86.2 Ų | 86.2 | 56% | 0.562 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | -66 | -23.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | N506 V507 K511 | N506-A509 HydrophobicContact CB-CB 4.28Å; N506-A509 WeakPolarHBondContact O-CB 3.46Å; N506-A509 PolarHBondContact O-N 2.97Å; N506-A509 PolarHBondContact OD1-N 3Å; V507-A509 PolarHBondContact O-N 3.36Å; A509-K511 PolarHBondContact O-N 2.91Å |
| 510 | L | 88.9 | Confident | 90.5 | Very high | 37 Ų | 37 | 82 Ų | 82 | 19% | 0.194 | 42% | 0.415 | C | S | . | . | G | 310 helix | trans | -72.6 | -12.8 | 177.3 | -59.4 | 179.3 | 0 | 0 | 0 | 112.8 | K497 I504 V507 A508 I512 | K497-L510 WeakPolarHBondContact CD-O 3.46Å; I504-L510 HydrophobicContact CD1-CD1 3.97Å; I504-L510 HydrophobicContact CG2-CD1 3.93Å; I504-L510 HydrophobicContact CG2-CG 4.42Å; V507-L510 WeakPolarHBondContact O-CB 3.42Å; V507-L510 PolarHBondContact O-N 3.07Å; A508-L510 PolarHBondContact O-N 3.36Å; L510-I512 VanDerWaalsContact C-N 3.33Å; L510-I512 HydrophobicContact CB-CG1 4.05Å; L510-I512 PolarHBondContact O-N 2.87Å |
| 511 | K | 90.9 | Very high | 90.8 | Very high | 169 Ų | 169 | 81.2 Ų | 81.2 | 74% | 0.735 | 41% | 0.407 | S | S | * | . | trans | 49.9 | 53.4 | -178.7 | -60.2 | -179.8 | -179.3 | 178.8 | 0 | 111.5 | K497 A508 A509 K513 | K497-K511 PolarHBondContact NZ-O 2.94Å; A508-K511 PolarHBondContact O-N 3.04Å; A509-K511 PolarHBondContact O-N 2.91Å; K511-K513 PolarHBondContact O-N 3.39Å | ||
| 512 | I | 92.5 | Very high | 90.9 | Very high | 34 Ų | 34 | 82.2 Ų | 82.2 | 17% | 0.174 | 41% | 0.414 | C | S | . | . | trans | -62.8 | 131.1 | 178.6 | -63.9 | 179.1 | 0 | 0 | 0 | 109.1 | V507 L510 I562 F609 M613 | V507-I512 HydrophobicContact CG1-CD1 3.59Å; L510-I512 VanDerWaalsContact C-N 3.33Å; L510-I512 HydrophobicContact CB-CG1 4.05Å; L510-I512 PolarHBondContact O-N 2.87Å; I512-I562 HydrophobicContact CD1-CD1 4.18Å; I512-I562 HydrophobicContact CG2-CB 4.5Å; I512-I562 HydrophobicContact CG2-CD1 3.81Å; I512-I562 HydrophobicContact CG2-CG1 3.89Å; I512-I562 HydrophobicContact CG2-CG2 3.75Å; I512-F609 HydrophobicContact CD1-CE2 3.58Å; I512-F609 HydrophobicContact CD1-CZ 3.91Å; I512-M613 HydrophobicContact CD1-SD 3.88Å | ||
| 513 | K | 91 | Very high | 90.8 | Very high | 131 Ų | 131 | 81 Ų | 81 | 57% | 0.57 | 42% | 0.421 | S | S | * | . | trans | -88.9 | 123.8 | 174 | -71.1 | 178.8 | -179.4 | 175.7 | 0 | 107.6 | H492 N494 K511 | H492-K513 HydrophobicContact CB-CB 3.81Å; N494-K513 PolarHBondContact ND2-O 3.44Å; N494-K513 PolarHBondContact OD1-N 2.86Å; K511-K513 PolarHBondContact O-N 3.39Å | ||
| 514 | R | 88.4 | Confident | 90.7 | Very high | 122 Ų | 122 | 79.5 Ų | 79.5 | 46% | 0.46 | 41% | 0.414 | S | S | . | . | trans | -138.1 | 132.5 | -178.1 | -177.6 | 174.1 | -173.7 | -164.1 | 1.3 | 109.9 | I562 A565 | R514-I562 HydrophobicContact CB-CG2 4.42Å; R514-I562 WeakPolarHBondContact CG-O 3.28Å; R514-I562 PolarHBondContact NE-O 3.33Å; R514-A565 PolarHBondContact NH2-O 3.07Å | ||
| 515 | E | 86.8 | Confident | 90.8 | Very high | 128 Ų | 128 | 79.8 Ų | 79.8 | 60% | 0.598 | 42% | 0.415 | S | S | * | . | trans | -107.1 | 160 | 169.8 | -73.5 | -175.7 | 177.9 | 0 | 0 | 110.6 | H492 I517 | H492-E515 VanDerWaalsContact NE2-CG 3.32Å; H492-E515 WeakPolarHBondContact NE2-CG 3.5Å; H492-E515 IonicContact NE2-OE1 3.32Å; H492-E515 PolarHBondContact NE2-OE1 3.36Å; H492-E515 IonicContact NE2-OE2 2.68Å; E515-I517 PolarHBondContact O-N 2.92Å | ||
| 516 | K | 87 | Confident | 90.9 | Very high | 200 Ų | 200 | 80.3 Ų | 80.3 | 87% | 0.87 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -69.2 | 129.7 | 174.7 | -173.7 | 175.3 | -178.9 | 174.9 | 0 | 109 | S518 | K516-S518 PolarHBondContact O-N 3.11Š|
| 517 | I | 90.6 | Very high | 90.9 | Very high | 34 Ų | 34 | 83.4 Ų | 83.4 | 17% | 0.174 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -56.5 | 136.8 | 178.6 | -167.9 | 176 | 0 | 0 | 0 | 111.8 | E515 D521 V522 L564 N566 | E515-I517 PolarHBondContact O-N 2.92Å; I517-D521 HydrophobicContact CD1-CB 4.13Å; I517-D521 HydrophobicContact CG1-CB 3.68Å; I517-V522 HydrophobicContact CD1-CG2 3.83Å; I517-V522 HydrophobicContact CG1-CG2 4.08Å; I517-V522 HydrophobicContact CG2-CG2 3.92Å; I517-L564 VanDerWaalsContact CD1-C 3.47Å; I517-L564 WeakPolarHBondContact CD1-O 3.44Å; I517-N566 HydrophobicContact CG2-CB 4.27Å |
| 518 | S | 91.3 | Very high | 90.9 | Very high | 41 Ų | 41 | 83.7 Ų | 83.7 | 29% | 0.287 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -77.6 | 156.6 | 178.8 | 79.2 | 0 | 0 | 0 | 0 | 111.9 | K516 Q520 D521 V522 | K516-S518 PolarHBondContact O-N 3.11Å; S518-Q520 PolarHBondContact O-N 3.48Å; S518-D521 PolarHBondContact O-N 3.45Å; S518-D521 WeakPolarHBondContact OG-CB 3.39Å; S518-D521 PolarHBondContact OG-N 3.16Å; S518-D521 VanDerWaalsContact OG-N 3.07Å; S518-D521 PolarHBondContact OG-OD2 3.16Å; S518-V522 WeakPolarHBondContact O-CG2 3.45Å; S518-V522 PolarHBondContact O-N 3.23Å |
| 519 | K | 90.8 | Very high | 91 | Very high | 200 Ų | 200 | 79.9 Ų | 79.9 | 87% | 0.87 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -60.1 | -32.2 | 174.7 | -70 | -174.8 | 179.7 | -179.7 | 0 | 112.5 | A523 | K519-A523 PolarHBondContact O-N 3.38Å; K519-A523 VanDerWaalsContact O-N 3.13Å |
| 520 | Q | 90.5 | Very high | 90.9 | Very high | 116 Ų | 116 | 80 Ų | 80 | 54% | 0.542 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -68.9 | -43.5 | 177.1 | -66.3 | -177 | -2.2 | 0 | 0 | 111.1 | S453 S518 V522 A523 F524 | S453-Q520 VanDerWaalsContact CB-OE1 3.29Å; S453-Q520 PolarHBondContact OG-OE1 3.14Å; S518-Q520 PolarHBondContact O-N 3.48Å; Q520-V522 VanDerWaalsContact C-N 3.33Å; Q520-V522 PolarHBondContact O-N 3.42Å; Q520-A523 WeakPolarHBondContact O-CB 3.32Å; Q520-A523 PolarHBondContact O-N 3.26Å; Q520-A523 VanDerWaalsContact O-N 3.15Å; Q520-F524 PolarHBondContact O-N 3.32Å |
| 521 | D | 93.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 80.4 Ų | 80.4 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -68.1 | -33.6 | 178.4 | -62.2 | -30.5 | 0 | 0 | 0 | 111.6 | M454 R491 I517 S518 F524 M525 L564 | M454-D521 WeakPolarHBondContact CB-OD1 2.85Å; M454-D521 PolarHBondContact N-OD1 3.4Å; R491-D521 IonicContact CZ-OD2 3.54Å; R491-D521 IonicContact NH1-OD2 2.73Å; R491-D521 PolarHBondContact NH1-OD2 3.16Å; R491-D521 IonicContact NH2-OD2 2.8Å; I517-D521 HydrophobicContact CD1-CB 4.13Å; I517-D521 HydrophobicContact CG1-CB 3.68Å; S518-D521 PolarHBondContact O-N 3.45Å; S518-D521 WeakPolarHBondContact OG-CB 3.39Å; S518-D521 PolarHBondContact OG-N 3.16Å; S518-D521 VanDerWaalsContact OG-N 3.07Å; S518-D521 PolarHBondContact OG-OD2 3.16Å; D521-F524 WeakPolarHBondContact O-CB 3.37Å; D521-F524 PolarHBondContact O-N 3Å; D521-M525 PolarHBondContact O-N 3.22Å; D521-L564 HydrophobicContact CB-CD2 3.98Å |
| 522 | V | 93.6 | Very high | 90.9 | Very high | 33 Ų | 33 | 72.4 Ų | 72.4 | 20% | 0.2 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61 | -46.1 | 169.7 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | I517 S518 Q520 F524 M525 K526 | I517-V522 HydrophobicContact CD1-CG2 3.83Å; I517-V522 HydrophobicContact CG1-CG2 4.08Å; I517-V522 HydrophobicContact CG2-CG2 3.92Å; S518-V522 WeakPolarHBondContact O-CG2 3.45Å; S518-V522 PolarHBondContact O-N 3.23Å; Q520-V522 VanDerWaalsContact C-N 3.33Å; Q520-V522 PolarHBondContact O-N 3.42Å; V522-F524 VanDerWaalsContact C-N 3.32Å; V522-F524 PolarHBondContact O-N 2.66Å; V522-M525 PolarHBondContact O-N 3.49Å; V522-K526 WeakPolarHBondContact O-CG 3.41Å; V522-K526 PolarHBondContact O-N 3.19Å |
| 523 | A | 92.7 | Very high | 91 | Very high | 57 Ų | 57 | 71 Ų | 71 | 47% | 0.471 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.4 | -37.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | K519 Q520 K526 K527 | K519-A523 PolarHBondContact O-N 3.38Å; K519-A523 VanDerWaalsContact O-N 3.13Å; Q520-A523 WeakPolarHBondContact O-CB 3.32Å; Q520-A523 PolarHBondContact O-N 3.26Å; Q520-A523 VanDerWaalsContact O-N 3.15Å; A523-K526 PolarHBondContact O-N 3.45Å; A523-K527 PolarHBondContact O-N 3.46Å; A523-K527 VanDerWaalsContact O-N 3.1Å |
| 524 | F | 94 | Very high | 90.9 | Very high | 1 Ų | 1 | 65.8 Ų | 65.8 | 0% | 0.004 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.6 | -50.5 | 172.4 | 174 | -94.6 | 0 | 0 | 0 | 111.3 | M454 L458 L463 Q520 D521 V522 K526 K527 H528 L532 L564 | M454-F524 HydrophobicContact CB-CB 4.39Å; M454-F524 HydrophobicContact CB-CD1 3.89Å; M454-F524 HydrophobicContact CB-CD2 4.29Å; M454-F524 HydrophobicContact CB-CE1 4.25Å; M454-F524 HydrophobicContact CB-CG 3.92Å; M454-F524 HydrophobicContact CG-CD1 3.57Å; M454-F524 HydrophobicContact CG-CD2 4.2Å; M454-F524 HydrophobicContact CG-CE1 3.4Å; M454-F524 VanDerWaalsContact CG-CE1 3.4Å; M454-F524 HydrophobicContact CG-CE2 4.05Å; M454-F524 HydrophobicContact CG-CG 3.97Å; M454-F524 HydrophobicContact CG-CZ 3.66Å; L458-F524 HydrophobicContact CB-CE2 4.04Å; L458-F524 HydrophobicContact CB-CZ 4.09Å; L458-F524 HydrophobicContact CD1-CZ 4.05Å; L463-F524 HydrophobicContact CD2-CZ 4.39Å; Q520-F524 PolarHBondContact O-N 3.32Å; D521-F524 WeakPolarHBondContact O-CB 3.37Å; D521-F524 PolarHBondContact O-N 3Å; V522-F524 VanDerWaalsContact C-N 3.32Å; V522-F524 PolarHBondContact O-N 2.66Å; F524-K526 VanDerWaalsContact C-N 3.3Å; F524-K526 PolarHBondContact O-N 2.99Å; F524-K527 PolarHBondContact O-N 3.06Å; F524-K527 VanDerWaalsContact O-N 3.08Å; F524-H528 HydrophobicContact CD2-CB 4.37Å; F524-H528 AromaticContact CD2-CD2 3.69Å; F524-H528 HydrophobicContact CE1-CB 4.4Å; F524-H528 HydrophobicContact CE2-CB 3.96Å; F524-H528 AromaticContact CE2-CD2 3.73Å; F524-H528 HydrophobicContact CZ-CB 3.98Å; F524-H528 PolarHBondContact O-N 3.18Å; F524-L532 HydrophobicContact CE1-CD1 4.08Å; F524-L564 HydrophobicContact CE1-CD1 4.42Å |
| 525 | M | 94.1 | Very high | 91 | Very high | 9 Ų | 9 | 60.1 Ų | 60.1 | 4% | 0.044 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.5 | -35.1 | 178.7 | -73.3 | -55.3 | -62.7 | 0 | 0 | 112.7 | D521 V522 K527 G529 L532 Y533 L564 V569 | D521-M525 PolarHBondContact O-N 3.22Å; V522-M525 PolarHBondContact O-N 3.49Å; M525-K527 VanDerWaalsContact C-N 3.29Å; M525-K527 PolarHBondContact O-N 3.49Å; M525-G529 WeakPolarHBondContact O-CA 3.42Å; M525-G529 PolarHBondContact O-N 3.29Å; M525-L532 HydrophobicContact CE-CD1 4.34Å; M525-L532 HydrophobicContact SD-CD1 3.97Å; M525-Y533 HydrophobicContact CE-CE1 3.99Å; M525-Y533 VanDerWaalsContact CE-OH 3.26Å; M525-Y533 WeakPolarHBondContact CE-OH 3.42Å; M525-L564 HydrophobicContact CG-CB 4.01Å; M525-L564 HydrophobicContact SD-CB 3.95Å; M525-L564 HydrophobicContact SD-CD1 3.82Å; M525-L564 HydrophobicContact SD-CG 4.47Å; M525-V569 HydrophobicContact CB-CG2 3.83Å; M525-V569 HydrophobicContact CE-CG1 3.99Å; M525-V569 HydrophobicContact CE-CG2 4.02Å; M525-V569 HydrophobicContact CG-CG2 4.12Å |
| 526 | K | 90.9 | Very high | 91.3 | Very high | 133 Ų | 133 | 54 Ų | 54 | 58% | 0.578 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -63.2 | -35.5 | 173.4 | -73.2 | -173.2 | -179.4 | -149.1 | 0 | 112.7 | V522 A523 F524 E568 | V522-K526 WeakPolarHBondContact O-CG 3.41Å; V522-K526 PolarHBondContact O-N 3.19Å; A523-K526 PolarHBondContact O-N 3.45Å; F524-K526 VanDerWaalsContact C-N 3.3Å; F524-K526 PolarHBondContact O-N 2.99Å; K526-E568 WeakPolarHBondContact CE-OE2 3.48Å; K526-E568 IonicContact NZ-OE1 3.41Å; K526-E568 PolarHBondContact NZ-OE1 3.38Å; K526-E568 IonicContact NZ-OE2 3.79Å; K526-E568 PolarHBondContact NZ-OE2 3.16Å; K526-E568 VanDerWaalsContact NZ-OE2 3.13Å |
| 527 | K | 90.9 | Very high | 91.6 | Very high | 151 Ų | 151 | 46.2 Ų | 46.2 | 66% | 0.657 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -87.2 | -42.2 | -177.3 | -171.7 | 177.2 | 174.6 | -173.4 | 0 | 113.5 | A523 F524 M525 | A523-K527 PolarHBondContact O-N 3.46Å; A523-K527 VanDerWaalsContact O-N 3.1Å; F524-K527 PolarHBondContact O-N 3.06Å; F524-K527 VanDerWaalsContact O-N 3.08Å; M525-K527 VanDerWaalsContact C-N 3.29Å; M525-K527 PolarHBondContact O-N 3.49Å |
| 528 | H | 90.2 | Very high | 91.6 | Very high | 14 Ų | 14 | 45.9 Ų | 45.9 | 7% | 0.065 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -115.3 | -7.1 | -169.3 | -64.9 | -69.6 | 0 | 0 | 0 | 114 | L463 F524 Q530 Q531 L532 | L463-H528 HydrophobicContact CD2-CB 4.07Å; F524-H528 HydrophobicContact CD2-CB 4.37Å; F524-H528 AromaticContact CD2-CD2 3.69Å; F524-H528 HydrophobicContact CE1-CB 4.4Å; F524-H528 HydrophobicContact CE2-CB 3.96Å; F524-H528 AromaticContact CE2-CD2 3.73Å; F524-H528 HydrophobicContact CZ-CB 3.98Å; F524-H528 PolarHBondContact O-N 3.18Å; H528-Q530 VanDerWaalsContact C-N 3.28Å; H528-Q530 PolarHBondContact O-N 3.21Å; H528-Q531 PolarHBondContact ND1-OE1 3.29Å; H528-Q531 WeakPolarHBondContact O-CB 3.44Å; H528-Q531 PolarHBondContact O-N 3.17Å; H528-L532 PolarHBondContact O-N 3.36Å |
| 529 | G | 91.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.2 | -39.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | M525 Q531 L532 Y533 | M525-G529 WeakPolarHBondContact O-CA 3.42Å; M525-G529 PolarHBondContact O-N 3.29Å; G529-Q531 VanDerWaalsContact C-N 3.3Å; G529-Q531 PolarHBondContact O-N 3.11Å; G529-L532 WeakPolarHBondContact O-CB 3.19Å; G529-L532 PolarHBondContact O-N 3.3Å; G529-L532 VanDerWaalsContact O-N 3.16Å; G529-Y533 WeakPolarHBondContact O-CD1 3.27Å; G529-Y533 WeakPolarHBondContact O-CD2 3.32Å; G529-Y533 WeakPolarHBondContact O-CE2 3.49Å; G529-Y533 PolarHBondContact O-N 3.13Å |
| 530 | Q | 89.6 | Confident | 91.5 | Very high | 70 Ų | 70 | 34.6 Ų | 34.6 | 33% | 0.327 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -59.7 | -38.6 | 176.7 | -72 | -61.2 | -26.2 | 0 | 0 | 113.1 | H528 R534 | H528-Q530 VanDerWaalsContact C-N 3.28Å; H528-Q530 PolarHBondContact O-N 3.21Å; Q530-R534 WeakPolarHBondContact O-CB 3.48Å; Q530-R534 PolarHBondContact O-N 2.95Å |
| 531 | Q | 88.8 | Confident | 91.4 | Very high | 45 Ų | 45 | 31 Ų | 31 | 21% | 0.21 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.1 | -42 | 176.7 | -62.3 | 176.2 | -49.8 | 0 | 0 | 111 | D464 F467 H528 G529 R534 H535 | D464-Q531 PolarHBondContact OD1-NE2 3.47Å; F467-Q531 HydrophobicContact CD2-CB 3.95Å; F467-Q531 HydrophobicContact CE2-CB 3.55Å; F467-Q531 HydrophobicContact CZ-CB 4.47Å; H528-Q531 PolarHBondContact ND1-OE1 3.29Å; H528-Q531 WeakPolarHBondContact O-CB 3.44Å; H528-Q531 PolarHBondContact O-N 3.17Å; G529-Q531 VanDerWaalsContact C-N 3.3Å; G529-Q531 PolarHBondContact O-N 3.11Å; Q531-R534 PolarHBondContact O-N 3.38Å; Q531-H535 WeakPolarHBondContact O-CB 3.48Å; Q531-H535 PolarHBondContact O-N 2.92Å |
| 532 | L | 91.9 | Very high | 91.2 | Very high | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.9 | -47.8 | 175.8 | -75 | 162.9 | 0 | 0 | 0 | 112 | F467 F524 M525 H528 G529 R534 H535 V536 L560 | F467-L532 HydrophobicContact CE1-CD2 4.2Å; F467-L532 HydrophobicContact CZ-CD2 3.63Å; F467-L532 HydrophobicContact CZ-CG 3.97Å; F524-L532 HydrophobicContact CE1-CD1 4.08Å; M525-L532 HydrophobicContact CE-CD1 4.34Å; M525-L532 HydrophobicContact SD-CD1 3.97Å; H528-L532 PolarHBondContact O-N 3.36Å; G529-L532 WeakPolarHBondContact O-CB 3.19Å; G529-L532 PolarHBondContact O-N 3.3Å; G529-L532 VanDerWaalsContact O-N 3.16Å; L532-R534 VanDerWaalsContact C-N 3.31Å; L532-R534 PolarHBondContact O-N 3.09Å; L532-H535 PolarHBondContact O-N 2.98Å; L532-V536 PolarHBondContact O-N 2.99Å; L532-V536 VanDerWaalsContact O-N 3.11Å; L532-L560 HydrophobicContact CD1-CD2 4.1Å |
| 533 | Y | 92.9 | Very high | 90.9 | Very high | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.016 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.4 | -40.7 | 179.3 | -53 | -30.6 | 0 | 0 | 0 | 111.3 | M525 G529 V536 Y537 D572 L573 L576 Y685 | M525-Y533 HydrophobicContact CE-CE1 3.99Å; M525-Y533 VanDerWaalsContact CE-OH 3.26Å; M525-Y533 WeakPolarHBondContact CE-OH 3.42Å; G529-Y533 WeakPolarHBondContact O-CD1 3.27Å; G529-Y533 WeakPolarHBondContact O-CD2 3.32Å; G529-Y533 WeakPolarHBondContact O-CE2 3.49Å; G529-Y533 PolarHBondContact O-N 3.13Å; Y533-V536 PolarHBondContact O-N 2.94Å; Y533-Y537 WeakPolarHBondContact O-CB 3.26Å; Y533-Y537 PolarHBondContact O-N 2.92Å; Y533-D572 HydrophobicContact CD2-CB 4.46Å; Y533-D572 HydrophobicContact CE2-CB 3.69Å; Y533-L573 HydrophobicContact CD1-CD2 4.03Å; Y533-L573 HydrophobicContact CE1-CD2 3.71Å; Y533-L573 HydrophobicContact CE1-CG 4.26Å; Y533-L576 HydrophobicContact CD1-CD2 4.23Å; Y533-L576 HydrophobicContact CG-CD2 4.45Å; Y533-Y685 HydrophobicContact CD2-CE2 4.29Å |
| 534 | R | 90.6 | Very high | 90.7 | Very high | 21 Ų | 21 | 37.9 Ų | 37.9 | 8% | 0.079 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63 | -43.4 | 177.5 | 179.9 | -177.9 | -179.9 | -75.7 | -12.6 | 111.4 | Q530 Q531 L532 V536 Y537 L538 Y685 P687 Q688 D693 | Q530-R534 WeakPolarHBondContact O-CB 3.48Å; Q530-R534 PolarHBondContact O-N 2.95Å; Q531-R534 PolarHBondContact O-N 3.38Å; L532-R534 VanDerWaalsContact C-N 3.31Å; L532-R534 PolarHBondContact O-N 3.09Å; R534-V536 PolarHBondContact O-N 3.47Å; R534-Y537 PolarHBondContact O-N 3.35Å; R534-L538 HydrophobicContact CG-CD1 3.86Å; R534-L538 HydrophobicContact CG-CG 4.4Å; R534-L538 WeakPolarHBondContact O-CG 3.35Å; R534-L538 PolarHBondContact O-N 3.18Å; R534-Y685 VanDerWaalsContact CA-OH 3.27Å; R534-Y685 WeakPolarHBondContact CA-OH 3.49Å; R534-Y685 PolarHBondContact N-OH 3.27Å; R534-P687 HydrophobicContact CG-CB 4.29Å; R534-Q688 WeakPolarHBondContact CD-O 3.5Å; R534-Q688 PolarHBondContact NE-O 2.93Å; R534-D693 IonicContact CZ-OD1 3.84Å; R534-D693 IonicContact CZ-OD2 2.98Å; R534-D693 IonicContact NE-OD2 2.83Å; R534-D693 IonicContact NH2-OD1 3.7Å; R534-D693 PolarHBondContact NH2-OD1 2.77Å; R534-D693 IonicContact NH2-OD2 2.77Å; R534-D693 PolarHBondContact NH2-OD2 3.22Å |
| 535 | H | 89.4 | Confident | 90.5 | Very high | 3 Ų | 3 | 38.5 Ų | 38.5 | 1% | 0.014 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.8 | -45.2 | 176.5 | 171.2 | 49.4 | 0 | 0 | 0 | 111.6 | F467 S470 L482 Q531 L532 G539 | F467-H535 HydrophobicContact CD1-CB 3.8Å; F467-H535 AromaticContact CD1-CG 3.77Å; F467-H535 HydrophobicContact CE1-CB 3.82Å; F467-H535 AromaticContact CE1-CD2 3.93Å; F467-H535 AromaticContact CE1-CG 3.88Å; S470-H535 WeakPolarHBondContact CB-CE1 3.42Å; S470-H535 WeakPolarHBondContact CB-ND1 3.42Å; S470-H535 PolarHBondContact OG-CE1 3.42Å; S470-H535 PolarHBondContact OG-ND1 2.99Å; L482-H535 WeakPolarHBondContact CD2-NE2 3.32Å; Q531-H535 WeakPolarHBondContact O-CB 3.48Å; Q531-H535 PolarHBondContact O-N 2.92Å; L532-H535 PolarHBondContact O-N 2.98Å; H535-G539 WeakPolarHBondContact O-CA 3.45Å; H535-G539 PolarHBondContact O-N 3Å |
| 536 | V | 93.3 | Very high | 90.4 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.5 | -44.1 | 175.2 | 175.7 | 0 | 0 | 0 | 0 | 111.1 | L532 Y533 R534 G539 C540 L553 T556 L557 L576 | L532-V536 PolarHBondContact O-N 2.99Å; L532-V536 VanDerWaalsContact O-N 3.11Å; Y533-V536 PolarHBondContact O-N 2.94Å; R534-V536 PolarHBondContact O-N 3.47Å; V536-G539 PolarHBondContact O-N 3.1Å; V536-C540 PolarHBondContact O-N 3.41Å; V536-C540 VanDerWaalsContact O-N 3.13Å; V536-C540 PolarHBondContact O-SG 2.61Å; V536-L553 HydrophobicContact CG1-CD2 4.31Å; V536-T556 HydrophobicContact CG2-CG2 3.99Å; V536-L557 HydrophobicContact CG1-CD1 4.37Å; V536-L557 HydrophobicContact CG1-CD2 4.06Å; V536-L557 HydrophobicContact CG1-CG 4.2Å; V536-L576 HydrophobicContact CB-CD2 4.21Å; V536-L576 HydrophobicContact CG1-CD2 4.17Å |
| 537 | Y | 93.6 | Very high | 90.5 | Very high | 35 Ų | 35 | 38.6 Ų | 38.6 | 14% | 0.137 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.6 | -52.8 | -179.7 | -174.7 | -89.8 | 0 | 0 | 0 | 112.1 | Y533 R534 C540 L576 A579 L580 M583 Y685 P687 | Y533-Y537 WeakPolarHBondContact O-CB 3.26Å; Y533-Y537 PolarHBondContact O-N 2.92Å; R534-Y537 PolarHBondContact O-N 3.35Å; Y537-C540 PolarHBondContact O-N 3.33Å; Y537-L576 HydrophobicContact CD2-CD1 4.1Å; Y537-A579 HydrophobicContact CD2-CB 4.36Å; Y537-A579 HydrophobicContact CE2-CB 3.93Å; Y537-L580 HydrophobicContact CD2-CD2 3.93Å; Y537-L580 HydrophobicContact CD2-CG 4.36Å; Y537-L580 HydrophobicContact CE2-CD2 4.48Å; Y537-L580 HydrophobicContact CG-CD2 4.49Å; Y537-M583 HydrophobicContact CD1-SD 4.36Å; Y537-M583 HydrophobicContact CE1-SD 3.67Å; Y537-M583 HydrophobicContact CE2-CB 4.34Å; Y537-M583 HydrophobicContact CE2-SD 4.01Å; Y537-Y685 HydrophobicContact CD2-CD1 4.28Å; Y537-Y685 HydrophobicContact CD2-CE1 4.13Å; Y537-Y685 HydrophobicContact CG-CE1 4.21Å; Y537-P687 HydrophobicContact CD1-CB 3.96Å; Y537-P687 HydrophobicContact CD1-CG 3.79Å; Y537-P687 HydrophobicContact CE1-CB 4.35Å; Y537-P687 HydrophobicContact CE1-CG 3.65Å; Y537-P687 HydrophobicContact CG-CB 4.44Å; Y537-P687 HydrophobicContact CG-CG 4.48Å |
| 538 | L | 90.4 | Very high | 90.5 | Very high | 28 Ų | 28 | 35.7 Ų | 35.7 | 15% | 0.147 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -70.9 | -38.7 | -179.7 | -64.3 | 174.6 | 0 | 0 | 0 | 111.6 | L471 R534 C540 K541 | L471-L538 HydrophobicContact CD2-CB 3.89Å; L471-L538 HydrophobicContact CD2-CD1 3.51Å; L471-L538 HydrophobicContact CD2-CG 4.35Å; R534-L538 HydrophobicContact CG-CD1 3.86Å; R534-L538 HydrophobicContact CG-CG 4.4Å; R534-L538 WeakPolarHBondContact O-CG 3.35Å; R534-L538 PolarHBondContact O-N 3.18Å; L538-C540 PolarHBondContact O-N 3Å; L538-K541 HydrophobicContact CD2-CD 4.49Å; L538-K541 VanDerWaalsContact O-CB 3.27Å; L538-K541 WeakPolarHBondContact O-CB 3.3Å; L538-K541 PolarHBondContact O-N 2.79Å |
| 539 | G | 88.9 | Confident | 90.7 | Very high | 3 Ų | 3 | 35.1 Ų | 35.1 | 3% | 0.031 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.6 | -25.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114 | H535 V536 K541 N545 | H535-G539 WeakPolarHBondContact O-CA 3.45Å; H535-G539 PolarHBondContact O-N 3Å; V536-G539 PolarHBondContact O-N 3.1Å; G539-K541 VanDerWaalsContact C-N 3.34Å; G539-N545 PolarHBondContact O-ND2 3.32Å; G539-N545 PolarHBondContact O-OD1 3.44Å |
| 540 | C | 91.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -23.1 | 174.3 | -71 | 0 | 0 | 0 | 0 | 113.7 | V536 Y537 L538 N545 L580 M583 I599 L602 | V536-C540 PolarHBondContact O-N 3.41Å; V536-C540 VanDerWaalsContact O-N 3.13Å; V536-C540 PolarHBondContact O-SG 2.61Å; Y537-C540 PolarHBondContact O-N 3.33Å; L538-C540 PolarHBondContact O-N 3Å; C540-N545 PolarHBondContact O-ND2 2.93Å; C540-L580 HydrophobicContact CB-CD2 3.71Å; C540-M583 HydrophobicContact CB-CE 4.22Å; C540-I599 HydrophobicContact CB-CG1 4.16Å; C540-L602 WeakPolarHBondContact SG-CD2 3.32Å |
| 541 | K | 87.9 | Confident | 91.1 | Very high | 40 Ų | 40 | 34.4 Ų | 34.4 | 17% | 0.174 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -22.6 | -167.4 | -170.2 | -177.5 | 171.7 | -160 | 0 | 113.6 | L538 G539 M583 E589 M591 | L538-K541 HydrophobicContact CD2-CD 4.49Å; L538-K541 VanDerWaalsContact O-CB 3.27Å; L538-K541 WeakPolarHBondContact O-CB 3.3Å; L538-K541 PolarHBondContact O-N 2.79Å; G539-K541 VanDerWaalsContact C-N 3.34Å; K541-M583 HydrophobicContact CB-CE 4.05Å; K541-M583 HydrophobicContact CB-SD 4.01Å; K541-M583 HydrophobicContact CD-SD 3.92Å; K541-M583 HydrophobicContact CG-CE 4.41Å; K541-M583 HydrophobicContact CG-SD 3.9Å; K541-E589 VanDerWaalsContact CE-OE1 3.29Å; K541-E589 WeakPolarHBondContact CE-OE1 3.37Å; K541-E589 WeakPolarHBondContact CE-OE2 3.48Å; K541-E589 IonicContact NZ-OE1 3.45Å; K541-E589 PolarHBondContact NZ-OE1 3.31Å; K541-E589 IonicContact NZ-OE2 3.39Å; K541-E589 PolarHBondContact NZ-OE2 2.95Å; K541-M591 HydrophobicContact CG-SD 3.87Å |
| 542 | E | 89.5 | Confident | 91.4 | Very high | 47 Ų | 47 | 32.9 Ų | 32.9 | 22% | 0.22 | 16% | 0.158 | C | C | . | . | trans | -61.6 | 137.6 | -177.6 | -60 | -61.7 | 129.9 | 0 | 0 | 112.7 | R478 N545 | R478-E542 IonicContact NH1-OE2 3.58Å; E542-N545 WeakPolarHBondContact O-CB 3.45Å; E542-N545 PolarHBondContact O-N 3.35Å; E542-N545 PolarHBondContact O-ND2 3.48Å | ||
| 543 | E | 87.2 | Confident | 91.6 | Very high | 130 Ų | 130 | 32.8 Ų | 32.8 | 61% | 0.607 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -27.2 | -172.4 | -62.8 | -174 | 168.2 | 0 | 0 | 113.9 | N545 | E543-N545 PolarHBondContact O-N 3.48Š|
| 544 | D | 88.9 | Confident | 91.8 | Very high | 59 Ų | 59 | 32.6 Ų | 32.6 | 32% | 0.316 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 13.3 | -179.5 | 76.3 | -44.3 | 0 | 0 | 0 | 113 | E473 S475 R478 V546 | E473-D544 VanDerWaalsContact O-OD1 3.11Å; S475-D544 WeakPolarHBondContact CA-OD2 3.35Å; S475-D544 WeakPolarHBondContact CB-OD2 3.38Å; S475-D544 PolarHBondContact N-OD2 3.32Å; S475-D544 PolarHBondContact OG-OD2 2.97Å; R478-D544 IonicContact CZ-OD1 2.96Å; R478-D544 IonicContact NH1-OD1 3.49Å; R478-D544 PolarHBondContact NH1-OD1 3.49Å; R478-D544 VanDerWaalsContact NH1-OD1 3.16Å; R478-D544 IonicContact NH1-OD2 2.77Å; R478-D544 IonicContact NH2-OD1 2.9Å; R478-D544 PolarHBondContact NH2-OD1 3.4Å; R478-D544 IonicContact NH2-OD2 3.79Å; D544-V546 PolarHBondContact O-N 3.31Å |
| 545 | N | 90.3 | Very high | 92.1 | Very high | 13 Ų | 13 | 32 Ų | 32 | 7% | 0.07 | 16% | 0.156 | C | C | . | . | trans | -64 | 118.9 | 177.6 | -82.8 | -22.1 | 0 | 0 | 0 | 112.4 | R478 G539 C540 E542 E543 N549 F550 I595 | R478-N545 PolarHBondContact NH2-OD1 2.8Å; G539-N545 PolarHBondContact O-ND2 3.32Å; G539-N545 PolarHBondContact O-OD1 3.44Å; C540-N545 PolarHBondContact O-ND2 2.93Å; E542-N545 WeakPolarHBondContact O-CB 3.45Å; E542-N545 PolarHBondContact O-N 3.35Å; E542-N545 PolarHBondContact O-ND2 3.48Å; E543-N545 PolarHBondContact O-N 3.48Å; N545-N549 PolarHBondContact OD1-ND2 3.18Å; N545-F550 HydrophobicContact CB-CE2 3.92Å; N545-F550 HydrophobicContact CB-CZ 4.24Å; N545-I595 HydrophobicContact CB-CD1 3.82Å; N545-I595 WeakPolarHBondContact O-CD1 3.44Å | ||
| 546 | V | 90.8 | Very high | 92.4 | Very high | 70 Ų | 70 | 32 Ų | 32 | 42% | 0.424 | 16% | 0.156 | S | C | . | . | trans | -96 | 166.2 | 173.9 | -62.4 | 0 | 0 | 0 | 0 | 111.8 | D544 K548 N549 F550 | D544-V546 PolarHBondContact O-N 3.31Å; V546-K548 VanDerWaalsContact C-N 3.26Å; V546-K548 HydrophobicContact CG2-CB 4.22Å; V546-K548 PolarHBondContact O-N 3.37Å; V546-N549 HydrophobicContact CG2-CB 4.5Å; V546-N549 WeakPolarHBondContact O-CB 3.13Å; V546-N549 PolarHBondContact O-N 3.47Å; V546-F550 PolarHBondContact O-N 2.9Å | ||
| 547 | H | 92.2 | Very high | 92.6 | Very high | 74 Ų | 74 | 32 Ų | 32 | 34% | 0.343 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -48.4 | -46 | 177.2 | 177.7 | -158.3 | 0 | 0 | 0 | 112.7 | N549 F550 E551 F643 | H547-N549 PolarHBondContact O-N 3.41Å; H547-F550 PolarHBondContact O-N 3.18Å; H547-F550 VanDerWaalsContact O-N 3.08Å; H547-E551 IonicContact CE1-OE1 3.25Å; H547-E551 PolarHBondContact CE1-OE1 3.15Å; H547-E551 IonicContact NE2-OE1 3.81Å; H547-E551 PolarHBondContact NE2-OE1 2.85Å; H547-E551 PolarHBondContact O-N 3.17Å; H547-F643 HydrophobicContact CB-CB 4.49Å; H547-F643 HydrophobicContact CB-CD1 3.86Å; H547-F643 HydrophobicContact CB-CG 4.38Å; H547-F643 AromaticContact CD2-CD1 3.38Å; H547-F643 WeakPolarHBondContact CD2-CD1 3.48Å; H547-F643 AromaticContact CD2-CD2 3.6Å; H547-F643 AromaticContact CD2-CE1 3.95Å; H547-F643 AromaticContact CD2-CG 3.19Å; H547-F643 WeakPolarHBondContact CD2-CG 3.25Å; H547-F643 AromaticContact CG-CD1 3.71Å; H547-F643 AromaticContact CG-CG 3.74Å; H547-F643 WeakPolarHBondContact NE2-CB 3.23Å; H547-F643 AromaticContact NE2-CD2 3.65Å; H547-F643 AromaticContact NE2-CG 3.5Å |
| 548 | K | 92.9 | Very high | 92.7 | Very high | 91 Ų | 91 | 30.3 Ų | 30.3 | 40% | 0.396 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -56.3 | -34.7 | 177.4 | -175.6 | 172 | 176.2 | -127.8 | 0 | 112.9 | Q479 E483 V546 E551 L552 | Q479-K548 VanDerWaalsContact OE1-CD 3.22Å; Q479-K548 VanDerWaalsContact OE1-NZ 3.08Å; E483-K548 IonicContact OE1-NZ 2.71Å; E483-K548 PolarHBondContact OE1-NZ 3.15Å; V546-K548 VanDerWaalsContact C-N 3.26Å; V546-K548 HydrophobicContact CG2-CB 4.22Å; V546-K548 PolarHBondContact O-N 3.37Å; K548-E551 PolarHBondContact O-N 2.92Å; K548-L552 WeakPolarHBondContact O-CG 3.49Å; K548-L552 PolarHBondContact O-N 3.24Å; K548-L552 VanDerWaalsContact O-N 3.08Å |
| 549 | N | 93.1 | Very high | 92.9 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67.8 | -43.2 | 177.5 | -168.1 | 66.9 | 0 | 0 | 0 | 111.6 | Q479 N545 V546 H547 E551 L552 L553 | Q479-N549 HydrophobicContact CG-CB 4.4Å; N545-N549 PolarHBondContact OD1-ND2 3.18Å; V546-N549 HydrophobicContact CG2-CB 4.5Å; V546-N549 WeakPolarHBondContact O-CB 3.13Å; V546-N549 PolarHBondContact O-N 3.47Å; H547-N549 PolarHBondContact O-N 3.41Å; N549-E551 VanDerWaalsContact C-N 3.34Å; N549-E551 PolarHBondContact O-N 3.02Å; N549-L552 PolarHBondContact O-N 3.41Å; N549-L553 VanDerWaalsContact ND2-CD1 3.3Å; N549-L553 WeakPolarHBondContact ND2-CD1 3.48Å; N549-L553 WeakPolarHBondContact O-CG 3.49Å; N549-L553 PolarHBondContact O-N 3.04Å |
| 550 | F | 94.8 | Very high | 93.2 | Very high | 4 Ų | 4 | 29 Ų | 29 | 2% | 0.018 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.5 | -37.2 | 174.8 | -72.6 | -75.1 | 0 | 0 | 0 | 112.6 | N545 V546 H547 L552 L553 F554 I595 I599 L602 F643 | N545-F550 HydrophobicContact CB-CE2 3.92Å; N545-F550 HydrophobicContact CB-CZ 4.24Å; V546-F550 PolarHBondContact O-N 2.9Å; H547-F550 PolarHBondContact O-N 3.18Å; H547-F550 VanDerWaalsContact O-N 3.08Å; F550-L552 VanDerWaalsContact C-N 3.35Å; F550-L553 PolarHBondContact O-N 2.83Å; F550-F554 WeakPolarHBondContact O-CB 3.49Å; F550-F554 PolarHBondContact O-N 3.48Å; F550-I595 HydrophobicContact CE2-CD1 4.22Å; F550-I595 HydrophobicContact CZ-CD1 4.37Å; F550-I595 HydrophobicContact CZ-CG2 4.36Å; F550-I599 HydrophobicContact CE1-CG1 4.05Å; F550-I599 HydrophobicContact CZ-CG1 4.47Å; F550-L602 HydrophobicContact CD1-CB 4.29Å; F550-L602 HydrophobicContact CD1-CD2 4.29Å; F550-F643 HydrophobicContact CB-CE1 4.08Å; F550-F643 HydrophobicContact CB-CE2 4.48Å; F550-F643 HydrophobicContact CB-CZ 3.65Å; F550-F643 AromaticContact CD2-CE1 3.69Å; F550-F643 HydrophobicContact CD2-CE1 3.69Å; F550-F643 AromaticContact CD2-CZ 3.96Å; F550-F643 HydrophobicContact CD2-CZ 3.96Å; F550-F643 HydrophobicContact CE2-CE1 4.4Å; F550-F643 HydrophobicContact CG-CE1 4.04Å; F550-F643 AromaticContact CG-CZ 3.8Å; F550-F643 HydrophobicContact CG-CZ 3.8Å |
| 551 | E | 95.3 | Very high | 93.4 | Very high | 52 Ų | 52 | 29.1 Ų | 29.1 | 24% | 0.243 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.7 | -43.2 | 172.2 | -67.7 | -173 | 150.8 | 0 | 0 | 112.2 | G500 I501 H547 K548 N549 T555 | G500-E551 WeakPolarHBondContact CA-OE1 3.38Å; I501-E551 HydrophobicContact CB-CG 4.18Å; I501-E551 HydrophobicContact CG2-CG 3.8Å; H547-E551 IonicContact CE1-OE1 3.25Å; H547-E551 PolarHBondContact CE1-OE1 3.15Å; H547-E551 IonicContact NE2-OE1 3.81Å; H547-E551 PolarHBondContact NE2-OE1 2.85Å; H547-E551 PolarHBondContact O-N 3.17Å; K548-E551 PolarHBondContact O-N 2.92Å; N549-E551 VanDerWaalsContact C-N 3.34Å; N549-E551 PolarHBondContact O-N 3.02Å; E551-T555 WeakPolarHBondContact O-CB 3.47Å; E551-T555 PolarHBondContact O-N 3.21Å; E551-T555 PolarHBondContact O-OG1 3.16Å |
| 552 | L | 95.4 | Very high | 93.7 | Very high | 12 Ų | 12 | 27.3 Ų | 27.3 | 6% | 0.063 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -69.3 | -39.4 | 178.2 | -68.7 | 176.5 | 0 | 0 | 0 | 112 | Q479 L482 E483 H486 K548 N549 F550 T555 T556 | Q479-L552 HydrophobicContact CB-CD1 3.63Å; Q479-L552 HydrophobicContact CG-CD1 3.75Å; L482-L552 HydrophobicContact CB-CB 4.01Å; L482-L552 HydrophobicContact CB-CD1 4.26Å; L482-L552 HydrophobicContact CD1-CB 3.73Å; L482-L552 HydrophobicContact CD1-CD1 4.45Å; L482-L552 HydrophobicContact CG-CB 4.47Å; E483-L552 HydrophobicContact CG-CD1 3.95Å; E483-L552 HydrophobicContact CG-CD2 3.83Å; H486-L552 PolarHBondContact CE1-O 2.94Å; H486-L552 PolarHBondContact NE2-O 3.01Å; H486-L552 VanDerWaalsContact NE2-O 3.1Å; K548-L552 WeakPolarHBondContact O-CG 3.49Å; K548-L552 PolarHBondContact O-N 3.24Å; K548-L552 VanDerWaalsContact O-N 3.08Å; N549-L552 PolarHBondContact O-N 3.41Å; F550-L552 VanDerWaalsContact C-N 3.35Å; L552-T555 CarbonylContact O-C 3.58Å; L552-T555 WeakPolarHBondContact O-CB 3.14Å; L552-T555 PolarHBondContact O-N 3.32Å; L552-T556 PolarHBondContact O-N 3.38Å; L552-T556 PolarHBondContact O-OG1 3.42Å |
| 553 | L | 95.6 | Very high | 93.9 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.2 | -43.3 | 174.8 | -72.4 | 164.8 | 0 | 0 | 0 | 111.8 | L482 V536 N549 F550 T555 T556 L557 L602 | L482-L553 HydrophobicContact CD1-CD2 4.14Å; L482-L553 HydrophobicContact CD1-CG 4.12Å; L482-L553 HydrophobicContact CD2-CD2 4.09Å; V536-L553 HydrophobicContact CG1-CD2 4.31Å; N549-L553 VanDerWaalsContact ND2-CD1 3.3Å; N549-L553 WeakPolarHBondContact ND2-CD1 3.48Å; N549-L553 WeakPolarHBondContact O-CG 3.49Å; N549-L553 PolarHBondContact O-N 3.04Å; F550-L553 PolarHBondContact O-N 2.83Å; L553-T555 VanDerWaalsContact C-N 3.31Å; L553-T555 PolarHBondContact O-N 2.82Å; L553-T556 WeakPolarHBondContact O-CB 3.22Å; L553-T556 PolarHBondContact O-N 3.1Å; L553-L557 PolarHBondContact O-N 2.91Å; L553-L602 HydrophobicContact CB-CD1 4.39Å; L553-L602 HydrophobicContact CB-CD2 4.06Å |
| 554 | F | 97 | Very high | 94.2 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -57.7 | -46.8 | 171.9 | 169.9 | -102.9 | 0 | 0 | 0 | 111.1 | I501 I504 F550 T556 L557 A558 L602 A605 F609 | I501-F554 HydrophobicContact CB-CB 4.4Å; I501-F554 HydrophobicContact CB-CG 4.47Å; I501-F554 HydrophobicContact CD1-CB 4.12Å; I501-F554 HydrophobicContact CG1-CB 4.11Å; I501-F554 HydrophobicContact CG1-CD2 4.37Å; I501-F554 HydrophobicContact CG1-CG 4.09Å; I504-F554 HydrophobicContact CD1-CZ 4.09Å; F550-F554 WeakPolarHBondContact O-CB 3.49Å; F550-F554 PolarHBondContact O-N 3.48Å; F554-T556 VanDerWaalsContact C-N 3.31Å; F554-T556 PolarHBondContact O-N 3.09Å; F554-L557 PolarHBondContact O-N 3.19Å; F554-A558 WeakPolarHBondContact O-CB 3.39Å; F554-A558 PolarHBondContact O-N 3.28Å; F554-L602 VanDerWaalsContact CA-CD1 3.46Å; F554-L602 HydrophobicContact CB-CD1 3.55Å; F554-A605 HydrophobicContact CD2-CB 3.88Å; F554-A605 HydrophobicContact CE2-CB 3.85Å; F554-F609 HydrophobicContact CE2-CB 4.37Å |
| 555 | T | 96.6 | Very high | 94.4 | Very high | 8 Ų | 8 | 16.4 Ų | 16.4 | 5% | 0.049 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -62.2 | -38.7 | 178.4 | -57.5 | 0 | 0 | 0 | 0 | 111.5 | R495 E551 L552 L553 A558 I559 | R495-T555 HydrophobicContact CG-CG2 4.15Å; E551-T555 WeakPolarHBondContact O-CB 3.47Å; E551-T555 PolarHBondContact O-N 3.21Å; E551-T555 PolarHBondContact O-OG1 3.16Å; L552-T555 CarbonylContact O-C 3.58Å; L552-T555 WeakPolarHBondContact O-CB 3.14Å; L552-T555 PolarHBondContact O-N 3.32Å; L553-T555 VanDerWaalsContact C-N 3.31Å; L553-T555 PolarHBondContact O-N 2.82Å; T555-A558 PolarHBondContact O-N 3.22Å; T555-I559 HydrophobicContact CG2-CD1 3.51Å; T555-I559 HydrophobicContact CG2-CG1 4.23Å; T555-I559 WeakPolarHBondContact O-CB 3.38Å; T555-I559 VanDerWaalsContact O-CG1 3.27Å; T555-I559 WeakPolarHBondContact O-CG1 3.49Å; T555-I559 PolarHBondContact O-N 2.62Å |
| 556 | T | 95.8 | Very high | 94.4 | Very high | 3 Ų | 3 | 17.5 Ų | 17.5 | 2% | 0.018 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -59.1 | -52.9 | 173.5 | -59.8 | 0 | 0 | 0 | 0 | 110.9 | L482 H486 V536 L552 L553 F554 A558 I559 L560 | L482-T556 VanDerWaalsContact CD2-OG1 3.28Å; L482-T556 WeakPolarHBondContact CD2-OG1 3.38Å; H486-T556 PolarHBondContact NE2-N 3.36Å; H486-T556 PolarHBondContact NE2-OG1 2.9Å; V536-T556 HydrophobicContact CG2-CG2 3.99Å; L552-T556 PolarHBondContact O-N 3.38Å; L552-T556 PolarHBondContact O-OG1 3.42Å; L553-T556 WeakPolarHBondContact O-CB 3.22Å; L553-T556 PolarHBondContact O-N 3.1Å; F554-T556 VanDerWaalsContact C-N 3.31Å; F554-T556 PolarHBondContact O-N 3.09Å; T556-A558 VanDerWaalsContact C-N 3.31Å; T556-A558 PolarHBondContact O-N 3.5Å; T556-I559 PolarHBondContact O-N 3.12Å; T556-L560 HydrophobicContact CG2-CD1 4Å; T556-L560 HydrophobicContact CG2-CG 4.32Å; T556-L560 WeakPolarHBondContact O-CB 3.18Å; T556-L560 VanDerWaalsContact O-CG 3.24Å; T556-L560 WeakPolarHBondContact O-CG 3.26Å; T556-L560 PolarHBondContact O-N 2.98Å |
| 557 | L | 96.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.005 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -60.1 | -41.5 | -179.9 | -71.9 | 171.1 | 0 | 0 | 0 | 112 | V536 L553 F554 T561 L573 L576 L602 Y606 | V536-L557 HydrophobicContact CG1-CD1 4.37Å; V536-L557 HydrophobicContact CG1-CD2 4.06Å; V536-L557 HydrophobicContact CG1-CG 4.2Å; L553-L557 PolarHBondContact O-N 2.91Å; F554-L557 PolarHBondContact O-N 3.19Å; L557-T561 WeakPolarHBondContact O-CB 3.5Å; L557-T561 PolarHBondContact O-N 3.13Å; L557-T561 PolarHBondContact O-OG1 3Å; L557-L573 HydrophobicContact CD2-CD2 4.04Å; L557-L576 HydrophobicContact CD2-CD2 3.96Å; L557-L602 HydrophobicContact CD1-CD1 4.29Å; L557-L602 HydrophobicContact CD1-CG 4.45Å; L557-Y606 HydrophobicContact CB-CD1 4.39Å; L557-Y606 HydrophobicContact CB-CD2 3.45Å; L557-Y606 VanDerWaalsContact CB-CD2 3.45Å; L557-Y606 HydrophobicContact CB-CE1 4.44Å; L557-Y606 HydrophobicContact CB-CE2 3.54Å; L557-Y606 HydrophobicContact CB-CG 3.92Å; L557-Y606 HydrophobicContact CD1-CD1 3.97Å; L557-Y606 HydrophobicContact CD1-CD2 4.23Å; L557-Y606 HydrophobicContact CD1-CG 3.8Å; L557-Y606 HydrophobicContact CD2-CE1 4.36Å; L557-Y606 HydrophobicContact CG-CD2 4.41Å; L557-Y606 HydrophobicContact CG-CG 4.42Å; L557-Y606 WeakPolarHBondContact O-CE2 3.29Å |
| 558 | A | 96.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -65.9 | -47.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L498 F554 T555 T556 T561 I562 F609 | L498-A558 HydrophobicContact CD1-CB 3.75Å; L498-A558 HydrophobicContact CD2-CB 4.11Å; L498-A558 HydrophobicContact CG-CB 4.48Å; F554-A558 WeakPolarHBondContact O-CB 3.39Å; F554-A558 PolarHBondContact O-N 3.28Å; T555-A558 PolarHBondContact O-N 3.22Å; T556-A558 VanDerWaalsContact C-N 3.31Å; T556-A558 PolarHBondContact O-N 3.5Å; A558-T561 WeakPolarHBondContact O-CB 3.39Å; A558-T561 PolarHBondContact O-N 2.99Å; A558-T561 VanDerWaalsContact O-N 3.14Å; A558-I562 VanDerWaalsContact O-CG1 3.26Å; A558-I562 WeakPolarHBondContact O-CG1 3.45Å; A558-I562 PolarHBondContact O-N 2.96Å; A558-F609 HydrophobicContact CB-CD1 4.05Å; A558-F609 HydrophobicContact CB-CE1 3.74Å; A558-F609 HydrophobicContact CB-CZ 4.12Å |
| 559 | I | 95.1 | Very high | 94.2 | Very high | 2 Ų | 2 | 16.2 Ų | 16.2 | 1% | 0.01 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -65.9 | -41.5 | 178.9 | -69.4 | 166.9 | 0 | 0 | 0 | 111 | H486 I489 D490 R495 L498 T555 T556 T561 I562 E563 | H486-I559 HydrophobicContact CB-CD1 3.99Å; I489-I559 HydrophobicContact CB-CG2 3.82Å; I489-I559 HydrophobicContact CG2-CG2 3.48Å; I489-I559 VanDerWaalsContact CG2-CG2 3.48Å; D490-I559 HydrophobicContact CB-CD1 4.07Å; D490-I559 HydrophobicContact CB-CG1 4.44Å; D490-I559 HydrophobicContact CB-CG2 4.11Å; R495-I559 HydrophobicContact CB-CD1 4.36Å; L498-I559 HydrophobicContact CD1-CG1 4.01Å; T555-I559 HydrophobicContact CG2-CD1 3.51Å; T555-I559 HydrophobicContact CG2-CG1 4.23Å; T555-I559 WeakPolarHBondContact O-CB 3.38Å; T555-I559 VanDerWaalsContact O-CG1 3.27Å; T555-I559 WeakPolarHBondContact O-CG1 3.49Å; T555-I559 PolarHBondContact O-N 2.62Å; T556-I559 PolarHBondContact O-N 3.12Å; I559-T561 PolarHBondContact O-N 3.02Å; I559-I562 PolarHBondContact O-N 2.88Å; I559-E563 HydrophobicContact CG2-CG 4.12Å; I559-E563 WeakPolarHBondContact O-CB 3.43Å; I559-E563 PolarHBondContact O-N 3.49Å |
| 560 | L | 95.4 | Very high | 94.3 | Very high | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -56.4 | -39.9 | 172.4 | -72.6 | 177.2 | 0 | 0 | 0 | 111.2 | I489 L532 T556 L564 A565 | I489-L560 HydrophobicContact CD1-CD2 4.04Å; L532-L560 HydrophobicContact CD1-CD2 4.1Å; T556-L560 HydrophobicContact CG2-CD1 4Å; T556-L560 HydrophobicContact CG2-CG 4.32Å; T556-L560 WeakPolarHBondContact O-CB 3.18Å; T556-L560 VanDerWaalsContact O-CG 3.24Å; T556-L560 WeakPolarHBondContact O-CG 3.26Å; T556-L560 PolarHBondContact O-N 2.98Å; L560-L564 HydrophobicContact CD2-CD1 3.9Å; L560-L564 CarbonylContact O-C 3.55Å; L560-L564 WeakPolarHBondContact O-CA 3.46Å; L560-L564 PolarHBondContact O-N 3.44Å; L560-A565 PolarHBondContact O-N 2.9Å; L560-A565 VanDerWaalsContact O-N 3.07Å |
| 561 | T | 95.1 | Very high | 94.2 | Very high | 3 Ų | 3 | 16.3 Ų | 16.3 | 2% | 0.018 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -67.9 | -42.3 | 177.5 | -56.3 | 0 | 0 | 0 | 0 | 112.3 | L557 A558 I559 A565 Y606 F609 L610 M613 | L557-T561 WeakPolarHBondContact O-CB 3.5Å; L557-T561 PolarHBondContact O-N 3.13Å; L557-T561 PolarHBondContact O-OG1 3Å; A558-T561 WeakPolarHBondContact O-CB 3.39Å; A558-T561 PolarHBondContact O-N 2.99Å; A558-T561 VanDerWaalsContact O-N 3.14Å; I559-T561 PolarHBondContact O-N 3.02Å; T561-A565 VanDerWaalsContact O-CB 3.31Å; T561-A565 WeakPolarHBondContact O-CB 3.49Å; T561-Y606 WeakPolarHBondContact OG1-CE2 3.49Å; T561-Y606 PolarHBondContact OG1-OH 2.8Å; T561-F609 HydrophobicContact CG2-CE1 4.25Å; T561-L610 HydrophobicContact CG2-CD1 3.52Å; T561-M613 HydrophobicContact CG2-CB 4.41Å |
| 562 | I | 94.6 | Very high | 94.1 | Very high | 2 Ų | 2 | 14.6 Ų | 14.6 | 1% | 0.01 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -70.9 | -46.2 | -177.8 | -65.1 | 162.4 | 0 | 0 | 0 | 110.9 | N494 L498 I512 R514 A558 I559 F609 M613 | N494-I562 HydrophobicContact CB-CD1 4.24Å; L498-I562 HydrophobicContact CD1-CD1 3.81Å; I512-I562 HydrophobicContact CD1-CD1 4.18Å; I512-I562 HydrophobicContact CG2-CB 4.5Å; I512-I562 HydrophobicContact CG2-CD1 3.81Å; I512-I562 HydrophobicContact CG2-CG1 3.89Å; I512-I562 HydrophobicContact CG2-CG2 3.75Å; R514-I562 HydrophobicContact CB-CG2 4.42Å; R514-I562 WeakPolarHBondContact CG-O 3.28Å; R514-I562 PolarHBondContact NE-O 3.33Å; A558-I562 VanDerWaalsContact O-CG1 3.26Å; A558-I562 WeakPolarHBondContact O-CG1 3.45Å; A558-I562 PolarHBondContact O-N 2.96Å; I559-I562 PolarHBondContact O-N 2.88Å; I562-F609 HydrophobicContact CD1-CZ 3.9Å; I562-F609 HydrophobicContact CG1-CE1 4.43Å; I562-F609 HydrophobicContact CG1-CZ 3.9Å; I562-M613 HydrophobicContact CG1-CE 4.09Å |
| 563 | E | 93.3 | Very high | 94.1 | Very high | 3 Ų | 3 | 14 Ų | 14 | 1% | 0.014 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -95.6 | -34.6 | -166.5 | -65.5 | -70.6 | 162.8 | 0 | 0 | 113.8 | I489 R491 H492 I559 | I489-E563 HydrophobicContact CG2-CB 4.03Å; I489-E563 HydrophobicContact CG2-CG 4.4Å; I489-E563 VanDerWaalsContact O-CG 3.32Å; I489-E563 WeakPolarHBondContact O-CG 3.35Å; R491-E563 IonicContact CZ-OE2 2.89Å; R491-E563 IonicContact NE-OE2 2.61Å; R491-E563 PolarHBondContact NE-OE2 3.22Å; R491-E563 PolarHBondContact NH2-O 2.88Å; R491-E563 VanDerWaalsContact NH2-O 3.16Å; R491-E563 IonicContact NH2-OE2 2.79Å; R491-E563 PolarHBondContact NH2-OE2 3.01Å; R491-E563 VanDerWaalsContact NH2-OE2 3.16Å; H492-E563 IonicContact CE1-OE1 2.81Å; H492-E563 IonicContact CE1-OE2 3.87Å; H492-E563 PolarHBondContact CE1-OE2 3.16Å; H492-E563 IonicContact CG-OE1 3.98Å; H492-E563 VanDerWaalsContact ND1-CD 3.3Å; H492-E563 IonicContact ND1-OE1 3.87Å; H492-E563 PolarHBondContact ND1-OE1 2.94Å; H492-E563 IonicContact ND1-OE2 3.35Å; H492-E563 PolarHBondContact ND1-OE2 3.02Å; H492-E563 VanDerWaalsContact ND1-OE2 3.14Å; I559-E563 HydrophobicContact CG2-CG 4.12Å; I559-E563 WeakPolarHBondContact O-CB 3.43Å; I559-E563 PolarHBondContact O-N 3.49Å |
| 564 | L | 93.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -125.4 | 1.3 | -166.1 | -60.8 | -178.9 | 0 | 0 | 0 | 114.5 | M454 I489 I517 D521 F524 M525 L560 | M454-L564 HydrophobicContact CB-CD2 4.42Å; M454-L564 HydrophobicContact CE-CD1 4.3Å; M454-L564 HydrophobicContact CE-CD2 4.08Å; M454-L564 HydrophobicContact CG-CD1 4.32Å; M454-L564 HydrophobicContact CG-CD2 4.44Å; I489-L564 HydrophobicContact CG2-CD1 3.88Å; I489-L564 HydrophobicContact CG2-CG 4.16Å; I517-L564 VanDerWaalsContact CD1-C 3.47Å; I517-L564 WeakPolarHBondContact CD1-O 3.44Å; D521-L564 HydrophobicContact CB-CD2 3.98Å; F524-L564 HydrophobicContact CE1-CD1 4.42Å; M525-L564 HydrophobicContact CG-CB 4.01Å; M525-L564 HydrophobicContact SD-CB 3.95Å; M525-L564 HydrophobicContact SD-CD1 3.82Å; M525-L564 HydrophobicContact SD-CG 4.47Å; L560-L564 HydrophobicContact CD2-CD1 3.9Å; L560-L564 CarbonylContact O-C 3.55Å; L560-L564 WeakPolarHBondContact O-CA 3.46Å; L560-L564 PolarHBondContact O-N 3.44Å |
| 565 | A | 91.9 | Very high | 94 | Very high | 4 Ų | 4 | 15.2 Ų | 15.2 | 3% | 0.033 | 7% | 0.074 | C | C | . | . | trans | -87.7 | 122.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | R514 L560 T561 V569 V570 | R514-A565 PolarHBondContact NH2-O 3.07Å; L560-A565 PolarHBondContact O-N 2.9Å; L560-A565 VanDerWaalsContact O-N 3.07Å; T561-A565 VanDerWaalsContact O-CB 3.31Å; T561-A565 WeakPolarHBondContact O-CB 3.49Å; A565-V569 HydrophobicContact CB-CB 4.35Å; A565-V569 HydrophobicContact CB-CG1 3.87Å; A565-V570 HydrophobicContact CB-CG2 4.01Å | ||
| 566 | N | 91.4 | Very high | 93.9 | Very high | 36 Ų | 36 | 14.9 Ų | 14.9 | 19% | 0.193 | 7% | 0.072 | C | C | . | . | trans | -103.4 | -177.2 | 156.7 | 70.6 | -3.9 | 0 | 0 | 0 | 109.7 | I517 E568 V569 V570 | I517-N566 HydrophobicContact CG2-CB 4.27Å; N566-E568 VanDerWaalsContact C-N 3.31Å; N566-E568 PolarHBondContact O-N 2.87Å; N566-E568 PolarHBondContact OD1-N 3.27Å; N566-V569 PolarHBondContact O-N 2.99Å; N566-V569 WeakPolarHBondContact OD1-CB 2.92Å; N566-V569 WeakPolarHBondContact OD1-CG2 3.48Å; N566-V569 PolarHBondContact OD1-N 3.25Å; N566-V570 WeakPolarHBondContact O-CG2 3.39Å; N566-V570 PolarHBondContact O-N 3.26Å | ||
| 567 | E | 89.6 | Confident | 94 | Very high | 115 Ų | 115 | 14.8 Ų | 14.8 | 54% | 0.537 | 7% | 0.072 | S | C | . | . | H | α-helix | trans | -55.9 | -40.5 | -179.8 | -66.5 | 170 | -179.9 | 0 | 0 | 113.5 | I571 G675 Y676 | E567-I571 PolarHBondContact O-N 3.31Å; E567-G675 VanDerWaalsContact CB-O 3.26Å; E567-G675 WeakPolarHBondContact CB-O 3.1Å; E567-G675 WeakPolarHBondContact CG-O 3.39Å; E567-G675 VanDerWaalsContact OE2-O 3.06Å; E567-Y676 HydrophobicContact CB-CD1 4.24Å; E567-Y676 HydrophobicContact CB-CE1 4.19Å; E567-Y676 HydrophobicContact CG-CE1 4.2Å |
| 568 | E | 89.9 | Confident | 93.9 | Very high | 86 Ų | 86 | 15.3 Ų | 15.3 | 40% | 0.402 | 8% | 0.075 | S | C | . | . | H | α-helix | trans | -67.1 | -45.9 | 177.4 | -66.2 | 177.2 | 167.6 | 0 | 0 | 112 | K526 N566 V570 I571 D572 | K526-E568 WeakPolarHBondContact CE-OE2 3.48Å; K526-E568 IonicContact NZ-OE1 3.41Å; K526-E568 PolarHBondContact NZ-OE1 3.38Å; K526-E568 IonicContact NZ-OE2 3.79Å; K526-E568 PolarHBondContact NZ-OE2 3.16Å; K526-E568 VanDerWaalsContact NZ-OE2 3.13Å; N566-E568 VanDerWaalsContact C-N 3.31Å; N566-E568 PolarHBondContact O-N 2.87Å; N566-E568 PolarHBondContact OD1-N 3.27Å; E568-V570 VanDerWaalsContact C-N 3.34Å; E568-V570 PolarHBondContact O-N 2.99Å; E568-I571 PolarHBondContact O-N 2.83Å; E568-D572 PolarHBondContact O-N 3.44Å |
| 569 | V | 92.9 | Very high | 93.8 | Very high | 7 Ų | 7 | 15.6 Ų | 15.6 | 4% | 0.042 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -65.6 | -37.7 | 179.8 | 168.4 | 0 | 0 | 0 | 0 | 111 | M525 A565 N566 I571 D572 L573 | M525-V569 HydrophobicContact CB-CG2 3.83Å; M525-V569 HydrophobicContact CE-CG1 3.99Å; M525-V569 HydrophobicContact CE-CG2 4.02Å; M525-V569 HydrophobicContact CG-CG2 4.12Å; A565-V569 HydrophobicContact CB-CB 4.35Å; A565-V569 HydrophobicContact CB-CG1 3.87Å; N566-V569 PolarHBondContact O-N 2.99Å; N566-V569 WeakPolarHBondContact OD1-CB 2.92Å; N566-V569 WeakPolarHBondContact OD1-CG2 3.48Å; N566-V569 PolarHBondContact OD1-N 3.25Å; V569-I571 VanDerWaalsContact C-N 3.33Å; V569-I571 PolarHBondContact O-N 2.91Å; V569-D572 PolarHBondContact O-N 3.37Å; V569-L573 HydrophobicContact CG1-CD1 3.77Å; V569-L573 HydrophobicContact CG1-CG 4.19Å; V569-L573 WeakPolarHBondContact O-CB 3.41Å; V569-L573 VanDerWaalsContact O-CG 3.27Å; V569-L573 WeakPolarHBondContact O-CG 3.39Å; V569-L573 PolarHBondContact O-N 3.35Å |
| 570 | V | 93.7 | Very high | 93.8 | Very high | 6 Ų | 6 | 15.6 Ų | 15.6 | 4% | 0.036 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -56.7 | -47.9 | 173.3 | 164.6 | 0 | 0 | 0 | 0 | 110.8 | A565 N566 E568 D572 L573 I574 L610 I614 Y676 | A565-V570 HydrophobicContact CB-CG2 4.01Å; N566-V570 WeakPolarHBondContact O-CG2 3.39Å; N566-V570 PolarHBondContact O-N 3.26Å; E568-V570 VanDerWaalsContact C-N 3.34Å; E568-V570 PolarHBondContact O-N 2.99Å; V570-D572 VanDerWaalsContact C-N 3.35Å; V570-D572 PolarHBondContact O-N 2.9Å; V570-L573 PolarHBondContact O-N 2.96Å; V570-I574 HydrophobicContact CG1-CD1 4.12Å; V570-I574 WeakPolarHBondContact O-CG1 3.48Å; V570-I574 PolarHBondContact O-N 3.33Å; V570-L610 HydrophobicContact CG1-CD1 4.49Å; V570-I614 HydrophobicContact CG1-CD1 3.36Å; V570-I614 HydrophobicContact CG1-CG1 4.03Å; V570-I614 HydrophobicContact CG2-CG1 4.42Å; V570-Y676 HydrophobicContact CB-CD1 4.41Å; V570-Y676 HydrophobicContact CB-CE1 3.8Å; V570-Y676 HydrophobicContact CG1-CD1 4.09Å; V570-Y676 HydrophobicContact CG1-CE1 3.56Å; V570-Y676 HydrophobicContact CG2-CE1 4.22Å |
| 571 | I | 92.9 | Very high | 93.8 | Very high | 1 Ų | 1 | 15.9 Ų | 15.9 | 1% | 0.005 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -61.5 | -44 | 177.3 | -68.4 | -58.1 | 0 | 0 | 0 | 111 | E567 E568 V569 L573 I574 R575 L671 Y676 R680 L681 | E567-I571 PolarHBondContact O-N 3.31Å; E568-I571 PolarHBondContact O-N 2.83Å; V569-I571 VanDerWaalsContact C-N 3.33Å; V569-I571 PolarHBondContact O-N 2.91Å; I571-L573 VanDerWaalsContact C-N 3.31Å; I571-L573 PolarHBondContact O-N 3.41Å; I571-I574 PolarHBondContact O-N 2.98Å; I571-R575 HydrophobicContact CG2-CG 4.38Å; I571-R575 VanDerWaalsContact O-CG 3.27Å; I571-R575 WeakPolarHBondContact O-CG 3.06Å; I571-R575 PolarHBondContact O-N 3.28Å; I571-L671 HydrophobicContact CD1-CD1 4.24Å; I571-Y676 HydrophobicContact CD1-CD1 4.22Å; I571-Y676 HydrophobicContact CG1-CD1 4.21Å; I571-R680 HydrophobicContact CG2-CB 3.98Å; I571-L681 HydrophobicContact CD1-CD1 4.29Å; I571-L681 HydrophobicContact CD1-CD2 4.22Å; I571-L681 HydrophobicContact CD1-CG 4.21Å; I571-L681 HydrophobicContact CG2-CD2 4.03Å; I571-L681 HydrophobicContact CG2-CG 4.31Å |
| 572 | D | 93.3 | Very high | 93.7 | Very high | 16 Ų | 16 | 19.4 Ų | 19.4 | 9% | 0.086 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64.7 | -33.9 | 178.5 | -73.8 | -34.4 | 0 | 0 | 0 | 112.8 | Y533 E568 V569 V570 R575 L576 R680 | Y533-D572 HydrophobicContact CD2-CB 4.46Å; Y533-D572 HydrophobicContact CE2-CB 3.69Å; E568-D572 PolarHBondContact O-N 3.44Å; V569-D572 PolarHBondContact O-N 3.37Å; V570-D572 VanDerWaalsContact C-N 3.35Å; V570-D572 PolarHBondContact O-N 2.9Å; D572-R575 PolarHBondContact O-N 3.37Å; D572-R575 IonicContact OD1-CZ 2.62Å; D572-R575 IonicContact OD1-NH1 3.57Å; D572-R575 PolarHBondContact OD1-NH1 2.84Å; D572-L576 WeakPolarHBondContact O-CB 3.46Å; D572-L576 PolarHBondContact O-N 3.37Å; D572-R680 IonicContact OD1-CZ 2.79Å; D572-R680 IonicContact OD1-NH2 3.06Å; D572-R680 PolarHBondContact OD1-NH2 3.48Å; D572-R680 IonicContact OD2-NH1 3.5Å; D572-R680 IonicContact OD2-NH2 3.18Å; D572-R680 PolarHBondContact OD2-NH2 3.4Å |
| 573 | L | 95.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -70.9 | -33.5 | 174.1 | -69.1 | 169 | 0 | 0 | 0 | 112.8 | Y533 L557 V569 V570 I571 L576 S577 Y606 | Y533-L573 HydrophobicContact CD1-CD2 4.03Å; Y533-L573 HydrophobicContact CE1-CD2 3.71Å; Y533-L573 HydrophobicContact CE1-CG 4.26Å; L557-L573 HydrophobicContact CD2-CD2 4.04Å; V569-L573 HydrophobicContact CG1-CD1 3.77Å; V569-L573 HydrophobicContact CG1-CG 4.19Å; V569-L573 WeakPolarHBondContact O-CB 3.41Å; V569-L573 VanDerWaalsContact O-CG 3.27Å; V569-L573 WeakPolarHBondContact O-CG 3.39Å; V569-L573 PolarHBondContact O-N 3.35Å; V570-L573 PolarHBondContact O-N 2.96Å; I571-L573 VanDerWaalsContact C-N 3.31Å; I571-L573 PolarHBondContact O-N 3.41Å; L573-L576 HydrophobicContact CD2-CD2 4.47Å; L573-S577 PolarHBondContact O-N 2.9Å; L573-S577 PolarHBondContact O-OG 2.95Å; L573-Y606 HydrophobicContact CB-CE1 4.25Å; L573-Y606 VanDerWaalsContact CB-OH 3.28Å; L573-Y606 WeakPolarHBondContact CB-OH 3.39Å; L573-Y606 VanDerWaalsContact CD1-OH 3.31Å; L573-Y606 WeakPolarHBondContact CD1-OH 3.43Å |
| 574 | I | 95.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -66.6 | -45.2 | 170.7 | -64.2 | 171.1 | 0 | 0 | 0 | 109.9 | V570 I571 L576 S577 V578 L610 F619 M667 L671 L681 | V570-I574 HydrophobicContact CG1-CD1 4.12Å; V570-I574 WeakPolarHBondContact O-CG1 3.48Å; V570-I574 PolarHBondContact O-N 3.33Å; I571-I574 PolarHBondContact O-N 2.98Å; I574-L576 VanDerWaalsContact C-N 3.3Å; I574-L576 PolarHBondContact O-N 3.46Å; I574-S577 WeakPolarHBondContact O-CB 3.38Å; I574-S577 PolarHBondContact O-N 2.92Å; I574-V578 WeakPolarHBondContact O-CG2 3.48Å; I574-V578 PolarHBondContact O-N 2.91Å; I574-L610 HydrophobicContact CD1-CD2 4.21Å; I574-L610 HydrophobicContact CG1-CD2 3.52Å; I574-F619 HydrophobicContact CD1-CE1 4.38Å; I574-F619 HydrophobicContact CD1-CZ 4.05Å; I574-F619 HydrophobicContact CG1-CZ 4.47Å; I574-M667 HydrophobicContact CG2-CE 4.42Å; I574-M667 HydrophobicContact CG2-SD 4.13Å; I574-L671 HydrophobicContact CD1-CD1 3.53Å; I574-L681 HydrophobicContact CB-CD2 3.93Å; I574-L681 HydrophobicContact CG2-CD2 3.59Å |
| 575 | R | 94.9 | Very high | 93.5 | Very high | 26 Ų | 26 | 21 Ų | 21 | 10% | 0.098 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -59 | -41.1 | 176.1 | -66.9 | 168.6 | 69.2 | -144.7 | -2.1 | 111.7 | I571 D572 V578 A579 R680 L681 I683 P684 | I571-R575 HydrophobicContact CG2-CG 4.38Å; I571-R575 VanDerWaalsContact O-CG 3.27Å; I571-R575 WeakPolarHBondContact O-CG 3.06Å; I571-R575 PolarHBondContact O-N 3.28Å; D572-R575 PolarHBondContact O-N 3.37Å; D572-R575 IonicContact OD1-CZ 2.62Å; D572-R575 IonicContact OD1-NH1 3.57Å; D572-R575 PolarHBondContact OD1-NH1 2.84Å; R575-V578 PolarHBondContact O-N 3.38Å; R575-A579 WeakPolarHBondContact O-CB 3.31Å; R575-A579 PolarHBondContact O-N 3.17Å; R575-R680 WeakPolarHBondContact CD-O 3.3Å; R575-R680 PolarHBondContact NE-O 3.14Å; R575-L681 HydrophobicContact CG-CD2 3.94Å; R575-I683 VanDerWaalsContact CZ-O 3.26Å; R575-I683 PolarHBondContact NE-O 3.24Å; R575-I683 PolarHBondContact NH2-O 3.37Å; R575-P684 PolarHBondContact NH2-O 3.06Å; R575-P684 VanDerWaalsContact NH2-O 3.09Å |
| 576 | L | 95.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.4 | -43.4 | 173.5 | 176.5 | 62.6 | 0 | 0 | 0 | 111.6 | Y533 V536 Y537 L557 D572 L573 I574 V578 A579 L580 Y685 | Y533-L576 HydrophobicContact CD1-CD2 4.23Å; Y533-L576 HydrophobicContact CG-CD2 4.45Å; V536-L576 HydrophobicContact CB-CD2 4.21Å; V536-L576 HydrophobicContact CG1-CD2 4.17Å; Y537-L576 HydrophobicContact CD2-CD1 4.1Å; L557-L576 HydrophobicContact CD2-CD2 3.96Å; D572-L576 WeakPolarHBondContact O-CB 3.46Å; D572-L576 PolarHBondContact O-N 3.37Å; L573-L576 HydrophobicContact CD2-CD2 4.47Å; I574-L576 VanDerWaalsContact C-N 3.3Å; I574-L576 PolarHBondContact O-N 3.46Å; L576-V578 PolarHBondContact O-N 3.24Å; L576-A579 PolarHBondContact O-N 3.2Å; L576-L580 HydrophobicContact CD1-CG 4.44Å; L576-L580 HydrophobicContact CG-CD1 4.4Å; L576-L580 WeakPolarHBondContact O-CG 3.37Å; L576-L580 PolarHBondContact O-N 3.32Å; L576-Y685 HydrophobicContact CD1-CD1 4Å; L576-Y685 HydrophobicContact CD1-CE1 3.85Å |
| 577 | S | 96.6 | Very high | 93.1 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.007 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.1 | -40.6 | 178.6 | -56.1 | 0 | 0 | 0 | 0 | 112.3 | L573 I574 L580 Q581 V603 Y606 | L573-S577 PolarHBondContact O-N 2.9Å; L573-S577 PolarHBondContact O-OG 2.95Å; I574-S577 WeakPolarHBondContact O-CB 3.38Å; I574-S577 PolarHBondContact O-N 2.92Å; S577-L580 PolarHBondContact O-N 2.89Å; S577-Q581 PolarHBondContact O-N 3.39Å; S577-Q581 VanDerWaalsContact O-N 3.09Å; S577-V603 WeakPolarHBondContact O-CG2 3.46Å; S577-Y606 VanDerWaalsContact OG-CD1 3.26Å; S577-Y606 WeakPolarHBondContact OG-CD1 3.43Å; S577-Y606 WeakPolarHBondContact OG-CE1 3.5Å |
| 578 | V | 95 | Very high | 92.6 | Very high | 13 Ų | 13 | 26.4 Ų | 26.4 | 8% | 0.079 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.8 | -47.9 | 172.9 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | I574 R575 L576 L580 Q581 E582 M667 | I574-V578 WeakPolarHBondContact O-CG2 3.48Å; I574-V578 PolarHBondContact O-N 2.91Å; R575-V578 PolarHBondContact O-N 3.38Å; L576-V578 PolarHBondContact O-N 3.24Å; V578-L580 VanDerWaalsContact C-N 3.3Å; V578-L580 PolarHBondContact O-N 2.93Å; V578-Q581 WeakPolarHBondContact O-CB 3.13Å; V578-Q581 PolarHBondContact O-N 3.17Å; V578-Q581 VanDerWaalsContact O-N 3.11Å; V578-E582 HydrophobicContact CG1-CG 4.33Å; V578-E582 WeakPolarHBondContact O-CG 3.09Å; V578-E582 PolarHBondContact O-N 3.33Å; V578-M667 HydrophobicContact CG2-CE 3.33Å |
| 579 | A | 94.9 | Very high | 92 | Very high | 6 Ų | 6 | 27.7 Ų | 27.7 | 5% | 0.05 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63 | -35.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y537 R575 L576 E582 M583 Y685 | Y537-A579 HydrophobicContact CD2-CB 4.36Å; Y537-A579 HydrophobicContact CE2-CB 3.93Å; R575-A579 WeakPolarHBondContact O-CB 3.31Å; R575-A579 PolarHBondContact O-N 3.17Å; L576-A579 PolarHBondContact O-N 3.2Å; A579-E582 PolarHBondContact O-N 2.94Å; A579-M583 VanDerWaalsContact O-CB 3.28Å; A579-M583 WeakPolarHBondContact O-CB 3.34Å; A579-M583 PolarHBondContact O-N 3.49Å; A579-Y685 HydrophobicContact CB-CD1 3.98Å; A579-Y685 HydrophobicContact CB-CG 4.45Å |
| 580 | L | 95.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.6 | -43.5 | 172.3 | -75.5 | 175.2 | 0 | 0 | 0 | 111.8 | Y537 C540 L576 S577 V578 M583 A584 I599 V603 | Y537-L580 HydrophobicContact CD2-CD2 3.93Å; Y537-L580 HydrophobicContact CD2-CG 4.36Å; Y537-L580 HydrophobicContact CE2-CD2 4.48Å; Y537-L580 HydrophobicContact CG-CD2 4.49Å; C540-L580 HydrophobicContact CB-CD2 3.71Å; L576-L580 HydrophobicContact CD1-CG 4.44Å; L576-L580 HydrophobicContact CG-CD1 4.4Å; L576-L580 WeakPolarHBondContact O-CG 3.37Å; L576-L580 PolarHBondContact O-N 3.32Å; S577-L580 PolarHBondContact O-N 2.89Å; V578-L580 VanDerWaalsContact C-N 3.3Å; V578-L580 PolarHBondContact O-N 2.93Å; L580-M583 HydrophobicContact CD2-CE 3.82Å; L580-M583 PolarHBondContact O-N 3.22Å; L580-A584 PolarHBondContact O-N 2.89Å; L580-A584 VanDerWaalsContact O-N 3.15Å; L580-I599 HydrophobicContact CB-CG2 3.94Å; L580-I599 WeakPolarHBondContact O-CG2 3.33Å; L580-V603 HydrophobicContact CB-CG2 3.81Å; L580-V603 HydrophobicContact CD1-CG2 4.44Å |
| 581 | Q | 95.1 | Very high | 91.4 | Very high | 8 Ų | 8 | 34 Ų | 34 | 4% | 0.037 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.8 | -48 | 175.1 | -177.8 | 177.9 | -97.2 | 0 | 0 | 111.2 | S577 V578 M583 A584 L585 M600 F662 | S577-Q581 PolarHBondContact O-N 3.39Å; S577-Q581 VanDerWaalsContact O-N 3.09Å; V578-Q581 WeakPolarHBondContact O-CB 3.13Å; V578-Q581 PolarHBondContact O-N 3.17Å; V578-Q581 VanDerWaalsContact O-N 3.11Å; Q581-M583 VanDerWaalsContact C-N 3.34Å; Q581-M583 PolarHBondContact O-N 3.46Å; Q581-A584 PolarHBondContact O-N 3.1Å; Q581-L585 HydrophobicContact CG-CD1 4.22Å; Q581-L585 WeakPolarHBondContact O-CG 3.36Å; Q581-L585 PolarHBondContact O-N 2.91Å; Q581-M600 HydrophobicContact CB-SD 4.47Å; Q581-M600 HydrophobicContact CG-CE 3.71Å; Q581-M600 HydrophobicContact CG-SD 3.76Å; Q581-M600 WeakPolarHBondContact O-CE 3.46Å; Q581-F662 PolarHBondContact NE2-O 3.01Å |
| 582 | E | 93.3 | Very high | 91.3 | Very high | 76 Ų | 76 | 36.3 Ų | 36.3 | 36% | 0.355 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -62.2 | -39.8 | 178.3 | -72 | 179.1 | 173.6 | 0 | 0 | 112.2 | V578 A579 A584 L585 N586 | V578-E582 HydrophobicContact CG1-CG 4.33Å; V578-E582 WeakPolarHBondContact O-CG 3.09Å; V578-E582 PolarHBondContact O-N 3.33Å; A579-E582 PolarHBondContact O-N 2.94Å; E582-A584 VanDerWaalsContact C-N 3.33Å; E582-A584 PolarHBondContact O-N 3.35Å; E582-L585 PolarHBondContact O-N 3.11Å; E582-L585 VanDerWaalsContact O-N 3.11Å; E582-N586 WeakPolarHBondContact O-CB 3.36Å; E582-N586 PolarHBondContact O-N 3.48Å |
| 583 | M | 92.3 | Very high | 91.2 | Very high | 17 Ų | 17 | 37.1 Ų | 37.1 | 8% | 0.084 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58 | -45.5 | 174.8 | -177.5 | -179.9 | 70.9 | 0 | 0 | 111.4 | Y537 C540 K541 A579 L580 Q581 L585 N587 M591 I599 | Y537-M583 HydrophobicContact CD1-SD 4.36Å; Y537-M583 HydrophobicContact CE1-SD 3.67Å; Y537-M583 HydrophobicContact CE2-CB 4.34Å; Y537-M583 HydrophobicContact CE2-SD 4.01Å; C540-M583 HydrophobicContact CB-CE 4.22Å; K541-M583 HydrophobicContact CB-CE 4.05Å; K541-M583 HydrophobicContact CB-SD 4.01Å; K541-M583 HydrophobicContact CD-SD 3.92Å; K541-M583 HydrophobicContact CG-CE 4.41Å; K541-M583 HydrophobicContact CG-SD 3.9Å; A579-M583 VanDerWaalsContact O-CB 3.28Å; A579-M583 WeakPolarHBondContact O-CB 3.34Å; A579-M583 PolarHBondContact O-N 3.49Å; L580-M583 HydrophobicContact CD2-CE 3.82Å; L580-M583 PolarHBondContact O-N 3.22Å; Q581-M583 VanDerWaalsContact C-N 3.34Å; Q581-M583 PolarHBondContact O-N 3.46Å; M583-L585 VanDerWaalsContact C-N 3.32Å; M583-L585 PolarHBondContact O-N 3.25Å; M583-N587 PolarHBondContact O-N 3.31Å; M583-N587 VanDerWaalsContact O-N 3.13Å; M583-M591 HydrophobicContact CG-CE 3.87Å; M583-M591 WeakPolarHBondContact O-CE 3.26Å; M583-I599 HydrophobicContact CE-CD1 3.67Å |
| 584 | A | 92.6 | Very high | 91 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -69.5 | -26.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L580 Q581 E582 R596 I599 M600 | L580-A584 PolarHBondContact O-N 2.89Å; L580-A584 VanDerWaalsContact O-N 3.15Å; Q581-A584 PolarHBondContact O-N 3.1Å; E582-A584 VanDerWaalsContact C-N 3.33Å; E582-A584 PolarHBondContact O-N 3.35Å; A584-R596 HydrophobicContact CB-CB 4.32Å; A584-R596 VanDerWaalsContact O-CZ 3.22Å; A584-R596 PolarHBondContact O-NE 2.7Å; A584-R596 PolarHBondContact O-NH2 3.21Å; A584-I599 HydrophobicContact CB-CB 4.2Å; A584-I599 HydrophobicContact CB-CD1 4.33Å; A584-I599 HydrophobicContact CB-CG2 4.13Å; A584-M600 HydrophobicContact CB-CE 3.85Å; A584-M600 HydrophobicContact CB-CG 4.39Å |
| 585 | L | 91.7 | Very high | 90.9 | Very high | 22 Ų | 22 | 40.1 Ų | 40.1 | 12% | 0.115 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -81.5 | -47 | 176.4 | -70.2 | 173.4 | 0 | 0 | 0 | 113.3 | Q581 E582 M583 R596 M600 L653 K655 Y661 | Q581-L585 HydrophobicContact CG-CD1 4.22Å; Q581-L585 WeakPolarHBondContact O-CG 3.36Å; Q581-L585 PolarHBondContact O-N 2.91Å; E582-L585 PolarHBondContact O-N 3.11Å; E582-L585 VanDerWaalsContact O-N 3.11Å; M583-L585 VanDerWaalsContact C-N 3.32Å; M583-L585 PolarHBondContact O-N 3.25Å; L585-R596 PolarHBondContact O-NH2 3.09Å; L585-M600 HydrophobicContact CD1-CE 4.28Å; L585-M600 HydrophobicContact CD2-CE 3.63Å; L585-M600 HydrophobicContact CG-CE 3.54Å; L585-L653 HydrophobicContact CD2-CB 4.13Å; L585-K655 HydrophobicContact CB-CG 4.47Å; L585-K655 WeakPolarHBondContact O-CE 3.3Å; L585-Y661 HydrophobicContact CD1-CD1 4.37Å; L585-Y661 HydrophobicContact CD1-CD2 4.41Å; L585-Y661 HydrophobicContact CD1-CG 4.32Å; L585-Y661 HydrophobicContact CD2-CD1 4.36Å; L585-Y661 HydrophobicContact CD2-CE1 3.72Å; L585-Y661 HydrophobicContact CD2-CE2 4.1Å |
| 586 | N | 89.3 | Confident | 90.9 | Very high | 73 Ų | 73 | 40.1 Ų | 40.1 | 39% | 0.39 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -68.8 | -38.8 | -177.8 | -68.9 | -17.5 | 0 | 0 | 0 | 111.4 | E582 E588 K655 | E582-N586 WeakPolarHBondContact O-CB 3.36Å; E582-N586 PolarHBondContact O-N 3.48Å; N586-E588 VanDerWaalsContact C-N 3.25Å; N586-E588 HydrophobicContact CB-CG 4.14Å; N586-E588 PolarHBondContact O-N 2.96Å; N586-K655 WeakPolarHBondContact OD1-CE 3.3Å; N586-K655 PolarHBondContact OD1-NZ 3.42Å |
| 587 | N | 85.5 | Confident | 90.8 | Very high | 26 Ų | 26 | 40.1 Ų | 40.1 | 14% | 0.139 | 21% | 0.208 | C | C | . | . | trans | 49.5 | 42.5 | 177.1 | -162.8 | 41.9 | 0 | 0 | 0 | 114.2 | M583 E589 N590 M591 R596 | M583-N587 PolarHBondContact O-N 3.31Å; M583-N587 VanDerWaalsContact O-N 3.13Å; N587-E589 PolarHBondContact O-N 2.79Å; N587-E589 VanDerWaalsContact O-N 3.08Å; N587-N590 PolarHBondContact O-N 3.21Å; N587-M591 WeakPolarHBondContact OD1-CB 2.98Å; N587-M591 PolarHBondContact OD1-N 2.85Å; N587-R596 PolarHBondContact ND2-NH1 2.85Å | ||
| 588 | E | 79.6 | Confident | 90.7 | Very high | 169 Ų | 169 | 40.1 Ų | 40.1 | 79% | 0.79 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -23.5 | -177.4 | -62.5 | -176.9 | 175.2 | 0 | 0 | 112.8 | N586 | N586-E588 VanDerWaalsContact C-N 3.25Å; N586-E588 HydrophobicContact CB-CG 4.14Å; N586-E588 PolarHBondContact O-N 2.96Å |
| 589 | E | 76.1 | Confident | 90.7 | Very high | 114 Ų | 114 | 39.5 Ų | 39.5 | 53% | 0.533 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | 15.8 | -176.2 | -61.1 | -168.1 | -161.4 | 0 | 0 | 114.2 | K541 N587 M591 | K541-E589 VanDerWaalsContact CE-OE1 3.29Å; K541-E589 WeakPolarHBondContact CE-OE1 3.37Å; K541-E589 WeakPolarHBondContact CE-OE2 3.48Å; K541-E589 IonicContact NZ-OE1 3.45Å; K541-E589 PolarHBondContact NZ-OE1 3.31Å; K541-E589 IonicContact NZ-OE2 3.39Å; K541-E589 PolarHBondContact NZ-OE2 2.95Å; N587-E589 PolarHBondContact O-N 2.79Å; N587-E589 VanDerWaalsContact O-N 3.08Å; E589-M591 PolarHBondContact O-N 2.76Å |
| 590 | N | 84.7 | Confident | 90.8 | Very high | 133 Ų | 133 | 39.2 Ų | 39.2 | 71% | 0.711 | 20% | 0.202 | S | C | * | . | trans | 56.7 | 40.4 | 174.9 | -62 | -44.4 | 0 | 0 | 0 | 115.2 | N587 | N587-N590 PolarHBondContact O-N 3.21Š| ||
| 591 | M | 89.8 | Confident | 90.8 | Very high | 12 Ų | 12 | 39.1 Ų | 39.1 | 6% | 0.059 | 20% | 0.201 | C | C | . | . | trans | -61.9 | 146.4 | 178.2 | -65.3 | 177.6 | -75.2 | 0 | 0 | 112.4 | K541 M583 N587 E589 R596 I599 | K541-M591 HydrophobicContact CG-SD 3.87Å; M583-M591 HydrophobicContact CG-CE 3.87Å; M583-M591 WeakPolarHBondContact O-CE 3.26Å; N587-M591 WeakPolarHBondContact OD1-CB 2.98Å; N587-M591 PolarHBondContact OD1-N 2.85Å; E589-M591 PolarHBondContact O-N 2.76Å; M591-R596 HydrophobicContact CB-CG 4Å; M591-R596 HydrophobicContact CE-CG 4.48Å; M591-R596 WeakPolarHBondContact O-CD 3.49Å; M591-I599 HydrophobicContact SD-CD1 4.21Å | ||
| 592 | P | 91.2 | Very high | 90.9 | Very high | 50 Ų | 50 | 38.8 Ų | 38.8 | 33% | 0.325 | 20% | 0.2 | S | C | . | . | trans | -58.4 | 144.8 | 174.6 | -22.8 | 32.2 | 0 | 0 | 0 | 112.9 | S594 I595 R596 | P592-S594 PolarHBondContact O-N 3.33Å; P592-I595 HydrophobicContact CB-CG1 4.2Å; P592-I595 HydrophobicContact CG-CG1 4.24Å; P592-I595 WeakPolarHBondContact O-CB 2.97Å; P592-I595 PolarHBondContact O-N 3.33Å; P592-R596 WeakPolarHBondContact O-CG 3.32Å; P592-R596 PolarHBondContact O-N 3.41Å | ||
| 593 | M | 92.3 | Very high | 91.1 | Very high | 33 Ų | 33 | 35.2 Ų | 35.2 | 16% | 0.163 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.4 | -33.8 | -178.9 | -172.8 | 58.3 | 77.4 | 0 | 0 | 113.2 | I595 R596 C597 L649 P650 L653 | M593-I595 VanDerWaalsContact C-N 3.35Å; M593-I595 PolarHBondContact O-N 3.47Å; M593-R596 PolarHBondContact O-N 3.22Å; M593-R596 HydrophobicContact SD-CB 4.38Å; M593-C597 WeakPolarHBondContact O-CB 3.09Å; M593-C597 PolarHBondContact O-N 3.18Å; M593-C597 PolarHBondContact O-SG 3.09Å; M593-L649 HydrophobicContact CB-CD1 4.47Å; M593-L649 HydrophobicContact CG-CB 4.11Å; M593-P650 HydrophobicContact CE-CG 4.43Å; M593-P650 HydrophobicContact CG-CG 4.19Å; M593-P650 HydrophobicContact SD-CG 3.98Å; M593-L653 HydrophobicContact CE-CG 4.44Å; M593-L653 HydrophobicContact SD-CD1 4.35Å; M593-L653 HydrophobicContact SD-CD2 4.49Å; M593-L653 HydrophobicContact SD-CG 4.04Å |
| 594 | S | 90.9 | Very high | 91.4 | Very high | 57 Ų | 57 | 34.4 Ų | 34.4 | 40% | 0.399 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -60.9 | -41.8 | 174.7 | 51.5 | 0 | 0 | 0 | 0 | 112.4 | P592 G598 | P592-S594 PolarHBondContact O-N 3.33Å; S594-G598 PolarHBondContact O-N 3.01Å |
| 595 | I | 92.6 | Very high | 91.6 | Very high | 6 Ų | 6 | 34.4 Ų | 34.4 | 3% | 0.031 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -68.5 | -45.4 | 176.7 | -59.7 | -50.9 | 0 | 0 | 0 | 110.1 | N545 F550 P592 M593 C597 G598 I599 | N545-I595 HydrophobicContact CB-CD1 3.82Å; N545-I595 WeakPolarHBondContact O-CD1 3.44Å; F550-I595 HydrophobicContact CE2-CD1 4.22Å; F550-I595 HydrophobicContact CZ-CD1 4.37Å; F550-I595 HydrophobicContact CZ-CG2 4.36Å; P592-I595 HydrophobicContact CB-CG1 4.2Å; P592-I595 HydrophobicContact CG-CG1 4.24Å; P592-I595 WeakPolarHBondContact O-CB 2.97Å; P592-I595 PolarHBondContact O-N 3.33Å; M593-I595 VanDerWaalsContact C-N 3.35Å; M593-I595 PolarHBondContact O-N 3.47Å; I595-C597 PolarHBondContact O-N 3.31Å; I595-G598 CarbonylContact O-C 3.56Å; I595-G598 WeakPolarHBondContact O-CA 3.48Å; I595-G598 PolarHBondContact O-N 3.07Å; I595-G598 VanDerWaalsContact O-N 3.1Å; I595-I599 HydrophobicContact CG2-CD1 4.03Å; I595-I599 HydrophobicContact CG2-CG1 4.47Å; I595-I599 VanDerWaalsContact O-CG1 3.3Å; I595-I599 WeakPolarHBondContact O-CG1 3.43Å; I595-I599 PolarHBondContact O-N 3.3Å |
| 596 | R | 93.9 | Very high | 91.9 | Very high | 26 Ų | 26 | 33.4 Ų | 33.4 | 10% | 0.098 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58 | -47.2 | 177.4 | -63.3 | 173.5 | 68 | -173.3 | 2 | 111.9 | A584 L585 N587 M591 P592 M593 I599 M600 L653 | A584-R596 HydrophobicContact CB-CB 4.32Å; A584-R596 VanDerWaalsContact O-CZ 3.22Å; A584-R596 PolarHBondContact O-NE 2.7Å; A584-R596 PolarHBondContact O-NH2 3.21Å; L585-R596 PolarHBondContact O-NH2 3.09Å; N587-R596 PolarHBondContact ND2-NH1 2.85Å; M591-R596 HydrophobicContact CB-CG 4Å; M591-R596 HydrophobicContact CE-CG 4.48Å; M591-R596 WeakPolarHBondContact O-CD 3.49Å; P592-R596 WeakPolarHBondContact O-CG 3.32Å; P592-R596 PolarHBondContact O-N 3.41Å; M593-R596 PolarHBondContact O-N 3.22Å; M593-R596 HydrophobicContact SD-CB 4.38Å; R596-I599 PolarHBondContact O-N 2.98Å; R596-M600 VanDerWaalsContact O-CG 3.3Å; R596-M600 WeakPolarHBondContact O-CG 3.21Å; R596-M600 PolarHBondContact O-N 2.83Å; R596-M600 VanDerWaalsContact O-N 3.12Å; R596-L653 HydrophobicContact CB-CD1 4.25Å |
| 597 | C | 93.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.5 | -36.6 | 175.1 | -66.5 | 0 | 0 | 0 | 0 | 112 | M593 I595 M600 A601 Y636 I642 | M593-C597 WeakPolarHBondContact O-CB 3.09Å; M593-C597 PolarHBondContact O-N 3.18Å; M593-C597 PolarHBondContact O-SG 3.09Å; I595-C597 PolarHBondContact O-N 3.31Å; C597-M600 WeakPolarHBondContact O-CB 3.33Å; C597-M600 PolarHBondContact O-N 3.04Å; C597-A601 WeakPolarHBondContact O-CB 3.4Å; C597-A601 PolarHBondContact O-N 3.15Å; C597-Y636 WeakPolarHBondContact CB-O 3.49Å; C597-I642 HydrophobicContact CB-CD1 3.49Å; C597-I642 VanDerWaalsContact CB-CD1 3.49Å; C597-I642 HydrophobicContact CB-CG1 3.85Å |
| 598 | G | 94.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.3 | -42 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | S594 I595 A601 L602 | S594-G598 PolarHBondContact O-N 3.01Å; I595-G598 CarbonylContact O-C 3.56Å; I595-G598 WeakPolarHBondContact O-CA 3.48Å; I595-G598 PolarHBondContact O-N 3.07Å; I595-G598 VanDerWaalsContact O-N 3.1Å; G598-A601 PolarHBondContact O-N 3.37Å; G598-L602 WeakPolarHBondContact O-CB 3.42Å; G598-L602 PolarHBondContact O-N 2.83Å |
| 599 | I | 95.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62.3 | -44.1 | 173.4 | -64.8 | 162.3 | 0 | 0 | 0 | 110.3 | C540 F550 L580 M583 A584 M591 I595 R596 A601 L602 V603 | C540-I599 HydrophobicContact CB-CG1 4.16Å; F550-I599 HydrophobicContact CE1-CG1 4.05Å; F550-I599 HydrophobicContact CZ-CG1 4.47Å; L580-I599 HydrophobicContact CB-CG2 3.94Å; L580-I599 WeakPolarHBondContact O-CG2 3.33Å; M583-I599 HydrophobicContact CE-CD1 3.67Å; A584-I599 HydrophobicContact CB-CB 4.2Å; A584-I599 HydrophobicContact CB-CD1 4.33Å; A584-I599 HydrophobicContact CB-CG2 4.13Å; M591-I599 HydrophobicContact SD-CD1 4.21Å; I595-I599 HydrophobicContact CG2-CD1 4.03Å; I595-I599 HydrophobicContact CG2-CG1 4.47Å; I595-I599 VanDerWaalsContact O-CG1 3.3Å; I595-I599 WeakPolarHBondContact O-CG1 3.43Å; I595-I599 PolarHBondContact O-N 3.3Å; R596-I599 PolarHBondContact O-N 2.98Å; I599-A601 VanDerWaalsContact C-N 3.33Å; I599-A601 PolarHBondContact O-N 3.21Å; I599-L602 WeakPolarHBondContact O-CB 3.36Å; I599-L602 PolarHBondContact O-N 3.18Å; I599-V603 HydrophobicContact CG2-CG2 4.5Å; I599-V603 WeakPolarHBondContact O-CG2 3.16Å; I599-V603 PolarHBondContact O-N 3.32Å |
| 600 | M | 95.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62.2 | -40.2 | 178 | -70.3 | -73.1 | -176.5 | 0 | 0 | 112.6 | Q581 A584 L585 R596 C597 V603 A604 R630 L637 L653 Y661 | Q581-M600 HydrophobicContact CB-SD 4.47Å; Q581-M600 HydrophobicContact CG-CE 3.71Å; Q581-M600 HydrophobicContact CG-SD 3.76Å; Q581-M600 WeakPolarHBondContact O-CE 3.46Å; A584-M600 HydrophobicContact CB-CE 3.85Å; A584-M600 HydrophobicContact CB-CG 4.39Å; L585-M600 HydrophobicContact CD1-CE 4.28Å; L585-M600 HydrophobicContact CD2-CE 3.63Å; L585-M600 HydrophobicContact CG-CE 3.54Å; R596-M600 VanDerWaalsContact O-CG 3.3Å; R596-M600 WeakPolarHBondContact O-CG 3.21Å; R596-M600 PolarHBondContact O-N 2.83Å; R596-M600 VanDerWaalsContact O-N 3.12Å; C597-M600 WeakPolarHBondContact O-CB 3.33Å; C597-M600 PolarHBondContact O-N 3.04Å; M600-V603 PolarHBondContact O-N 2.82Å; M600-A604 PolarHBondContact O-N 3.41Å; M600-R630 PolarHBondContact O-NH1 3.22Å; M600-L637 CarbonylContact C-O 3.54Å; M600-L637 HydrophobicContact CB-CB 4.25Å; M600-L637 HydrophobicContact CB-CD2 3.72Å; M600-L637 HydrophobicContact CG-CD2 3.88Å; M600-L653 HydrophobicContact CE-CD1 4.39Å; M600-Y661 HydrophobicContact CE-CD1 4.27Å; M600-Y661 HydrophobicContact CE-CE1 4.05Å; M600-Y661 HydrophobicContact SD-CD1 4.38Å; M600-Y661 HydrophobicContact SD-CE1 4.4Å |
| 601 | A | 96.3 | Very high | 95 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -66.6 | -40.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | C597 G598 I599 A604 A605 L637 P639 I642 F643 | C597-A601 WeakPolarHBondContact O-CB 3.4Å; C597-A601 PolarHBondContact O-N 3.15Å; G598-A601 PolarHBondContact O-N 3.37Å; I599-A601 VanDerWaalsContact C-N 3.33Å; I599-A601 PolarHBondContact O-N 3.21Å; A601-A604 PolarHBondContact O-N 2.66Å; A601-A605 WeakPolarHBondContact O-CB 3.11Å; A601-A605 PolarHBondContact O-N 3.24Å; A601-L637 VanDerWaalsContact CA-O 3.24Å; A601-L637 WeakPolarHBondContact CA-O 3.4Å; A601-L637 PolarHBondContact N-O 3Å; A601-P639 HydrophobicContact CB-CB 4.25Å; A601-I642 HydrophobicContact CB-CG2 3.63Å; A601-F643 HydrophobicContact CB-CE2 4.22Å |
| 602 | L | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -58.7 | -48.4 | 172.4 | 174.7 | 65 | 0 | 0 | 0 | 111.6 | I501 C540 F550 L553 F554 L557 G598 I599 A605 Y606 | I501-L602 HydrophobicContact CD1-CB 4.26Å; I501-L602 HydrophobicContact CD1-CD1 4.09Å; C540-L602 WeakPolarHBondContact SG-CD2 3.32Å; F550-L602 HydrophobicContact CD1-CB 4.29Å; F550-L602 HydrophobicContact CD1-CD2 4.29Å; L553-L602 HydrophobicContact CB-CD1 4.39Å; L553-L602 HydrophobicContact CB-CD2 4.06Å; F554-L602 VanDerWaalsContact CA-CD1 3.46Å; F554-L602 HydrophobicContact CB-CD1 3.55Å; L557-L602 HydrophobicContact CD1-CD1 4.29Å; L557-L602 HydrophobicContact CD1-CG 4.45Å; G598-L602 WeakPolarHBondContact O-CB 3.42Å; G598-L602 PolarHBondContact O-N 2.83Å; I599-L602 WeakPolarHBondContact O-CB 3.36Å; I599-L602 PolarHBondContact O-N 3.18Å; L602-A605 PolarHBondContact O-N 3.48Å; L602-Y606 VanDerWaalsContact O-CB 3.28Å; L602-Y606 WeakPolarHBondContact O-CB 3.41Å; L602-Y606 PolarHBondContact O-N 2.98Å |
| 603 | V | 97.6 | Very high | 95.3 | Very high | 2 Ų | 2 | 10.3 Ų | 10.3 | 1% | 0.012 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -61.9 | -44 | 177.8 | 171.4 | 0 | 0 | 0 | 0 | 111 | S577 L580 I599 M600 Y606 L607 F662 | S577-V603 WeakPolarHBondContact O-CG2 3.46Å; L580-V603 HydrophobicContact CB-CG2 3.81Å; L580-V603 HydrophobicContact CD1-CG2 4.44Å; I599-V603 HydrophobicContact CG2-CG2 4.5Å; I599-V603 WeakPolarHBondContact O-CG2 3.16Å; I599-V603 PolarHBondContact O-N 3.32Å; M600-V603 PolarHBondContact O-N 2.82Å; V603-Y606 PolarHBondContact O-N 2.99Å; V603-L607 HydrophobicContact CG1-CD1 3.72Å; V603-L607 HydrophobicContact CG1-CG 4.27Å; V603-L607 WeakPolarHBondContact O-CB 3.36Å; V603-L607 WeakPolarHBondContact O-CG 3.35Å; V603-L607 PolarHBondContact O-N 3.45Å; V603-F662 HydrophobicContact CG1-CD2 3.83Å; V603-F662 HydrophobicContact CG1-CE2 3.99Å |
| 604 | A | 97.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -61 | -49.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | I503 M600 A601 Y606 N608 L638 F662 | I503-A604 HydrophobicContact CD1-CB 4.16Å; M600-A604 PolarHBondContact O-N 3.41Å; A601-A604 PolarHBondContact O-N 2.66Å; A604-Y606 VanDerWaalsContact C-N 3.33Å; A604-Y606 PolarHBondContact O-N 3.42Å; A604-N608 VanDerWaalsContact O-CB 3.23Å; A604-N608 WeakPolarHBondContact O-CB 3.4Å; A604-N608 PolarHBondContact O-N 3.44Å; A604-L638 HydrophobicContact CB-CD2 4.01Å; A604-F662 HydrophobicContact CB-CE2 4.46Å |
| 605 | A | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -60.3 | -44.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | I501 I503 F554 A601 L602 F609 P639 | I501-A605 HydrophobicContact CD1-CB 4.21Å; I501-A605 HydrophobicContact CG1-CB 3.76Å; I503-A605 HydrophobicContact CD1-CB 4.43Å; F554-A605 HydrophobicContact CD2-CB 3.88Å; F554-A605 HydrophobicContact CE2-CB 3.85Å; A601-A605 WeakPolarHBondContact O-CB 3.11Å; A601-A605 PolarHBondContact O-N 3.24Å; L602-A605 PolarHBondContact O-N 3.48Å; A605-F609 PolarHBondContact O-N 2.99Å; A605-F609 VanDerWaalsContact O-N 3.11Å; A605-P639 HydrophobicContact CB-CG 4.18Å |
| 606 | Y | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -69.8 | -46.3 | -177.9 | 177.2 | -117.1 | 0 | 0 | 0 | 112.7 | L557 T561 L573 S577 L602 V603 A604 N608 F609 L610 | L557-Y606 HydrophobicContact CB-CD1 4.39Å; L557-Y606 HydrophobicContact CB-CD2 3.45Å; L557-Y606 VanDerWaalsContact CB-CD2 3.45Å; L557-Y606 HydrophobicContact CB-CE1 4.44Å; L557-Y606 HydrophobicContact CB-CE2 3.54Å; L557-Y606 HydrophobicContact CB-CG 3.92Å; L557-Y606 HydrophobicContact CD1-CD1 3.97Å; L557-Y606 HydrophobicContact CD1-CD2 4.23Å; L557-Y606 HydrophobicContact CD1-CG 3.8Å; L557-Y606 HydrophobicContact CD2-CE1 4.36Å; L557-Y606 HydrophobicContact CG-CD2 4.41Å; L557-Y606 HydrophobicContact CG-CG 4.42Å; L557-Y606 WeakPolarHBondContact O-CE2 3.29Å; T561-Y606 WeakPolarHBondContact OG1-CE2 3.49Å; T561-Y606 PolarHBondContact OG1-OH 2.8Å; L573-Y606 HydrophobicContact CB-CE1 4.25Å; L573-Y606 VanDerWaalsContact CB-OH 3.28Å; L573-Y606 WeakPolarHBondContact CB-OH 3.39Å; L573-Y606 VanDerWaalsContact CD1-OH 3.31Å; L573-Y606 WeakPolarHBondContact CD1-OH 3.43Å; S577-Y606 VanDerWaalsContact OG-CD1 3.26Å; S577-Y606 WeakPolarHBondContact OG-CD1 3.43Å; S577-Y606 WeakPolarHBondContact OG-CE1 3.5Å; L602-Y606 VanDerWaalsContact O-CB 3.28Å; L602-Y606 WeakPolarHBondContact O-CB 3.41Å; L602-Y606 PolarHBondContact O-N 2.98Å; V603-Y606 PolarHBondContact O-N 2.99Å; A604-Y606 VanDerWaalsContact C-N 3.33Å; A604-Y606 PolarHBondContact O-N 3.42Å; Y606-N608 VanDerWaalsContact C-N 3.3Å; Y606-N608 PolarHBondContact O-N 3.38Å; Y606-F609 HydrophobicContact CD2-CD1 4.47Å; Y606-F609 HydrophobicContact CE2-CD1 4.42Å; Y606-F609 WeakPolarHBondContact O-CB 3.37Å; Y606-F609 PolarHBondContact O-N 2.96Å; Y606-F609 VanDerWaalsContact O-N 3.14Å; Y606-L610 HydrophobicContact CE1-CD2 4.02Å; Y606-L610 HydrophobicContact CE2-CB 4.32Å; Y606-L610 WeakPolarHBondContact O-CB 3.35Å; Y606-L610 PolarHBondContact O-N 3.08Å |
| 607 | L | 97.2 | Very high | 94.7 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.005 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -65.5 | -35.1 | 178.5 | -70.8 | 177.5 | 0 | 0 | 0 | 111.9 | V603 F609 L610 S611 F619 V623 F662 | V603-L607 HydrophobicContact CG1-CD1 3.72Å; V603-L607 HydrophobicContact CG1-CG 4.27Å; V603-L607 WeakPolarHBondContact O-CB 3.36Å; V603-L607 WeakPolarHBondContact O-CG 3.35Å; V603-L607 PolarHBondContact O-N 3.45Å; L607-F609 VanDerWaalsContact C-N 3.33Å; L607-F609 PolarHBondContact O-N 3.28Å; L607-L610 HydrophobicContact CD2-CD2 4.28Å; L607-L610 PolarHBondContact O-N 3.47Å; L607-S611 WeakPolarHBondContact O-CB 3.46Å; L607-S611 PolarHBondContact O-N 3.36Å; L607-S611 PolarHBondContact O-OG 3.19Å; L607-F619 HydrophobicContact CD2-CZ 4.34Å; L607-V623 HydrophobicContact CB-CG1 4.36Å; L607-V623 HydrophobicContact CB-CG2 4.37Å; L607-F662 HydrophobicContact CB-CE1 4.5Å; L607-F662 HydrophobicContact CB-CZ 4.38Å; L607-F662 HydrophobicContact CD1-CB 4.08Å; L607-F662 HydrophobicContact CD1-CD1 3.82Å; L607-F662 HydrophobicContact CD1-CD2 3.49Å; L607-F662 VanDerWaalsContact CD1-CD2 3.49Å; L607-F662 HydrophobicContact CD1-CE1 4.09Å; L607-F662 HydrophobicContact CD1-CE2 3.79Å; L607-F662 HydrophobicContact CD1-CG 3.51Å; L607-F662 HydrophobicContact CD1-CZ 4.08Å |
| 608 | N | 96.9 | Very high | 94.6 | Very high | 8 Ų | 8 | 18 Ų | 18 | 4% | 0.043 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58.8 | -43.6 | 170.9 | 177.2 | -104.3 | 0 | 0 | 0 | 112.6 | I503 I504 A604 Y606 S611 Q612 V623 I627 | I503-N608 HydrophobicContact CD1-CB 4.43Å; I503-N608 HydrophobicContact CG2-CB 4.48Å; I504-N608 PolarHBondContact N-OD1 3.21Å; I504-N608 PolarHBondContact O-OD1 2.84Å; A604-N608 VanDerWaalsContact O-CB 3.23Å; A604-N608 WeakPolarHBondContact O-CB 3.4Å; A604-N608 PolarHBondContact O-N 3.44Å; Y606-N608 VanDerWaalsContact C-N 3.3Å; Y606-N608 PolarHBondContact O-N 3.38Å; N608-S611 PolarHBondContact O-OG 2.95Å; N608-Q612 PolarHBondContact ND2-NE2 3.17Å; N608-Q612 WeakPolarHBondContact O-CG 3.17Å; N608-Q612 PolarHBondContact O-NE2 3.26Å; N608-Q612 VanDerWaalsContact O-NE2 3.07Å; N608-Q612 PolarHBondContact OD1-NE2 3.34Å; N608-V623 HydrophobicContact CB-CG1 4.32Å; N608-I627 HydrophobicContact CB-CD1 3.64Å |
| 609 | F | 96.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -67.5 | -49.1 | 176.6 | 173.1 | -99.2 | 0 | 0 | 0 | 111.3 | L498 I504 V507 I512 F554 A558 T561 I562 A605 Y606 L607 S611 Q612 M613 | L498-F609 HydrophobicContact CD2-CD2 4.46Å; L498-F609 HydrophobicContact CD2-CE2 3.87Å; L498-F609 HydrophobicContact CD2-CZ 4.27Å; I504-F609 HydrophobicContact CD1-CD2 3.9Å; V507-F609 HydrophobicContact CG1-CD2 4.16Å; V507-F609 HydrophobicContact CG1-CE2 3.85Å; V507-F609 HydrophobicContact CG2-CD2 3.78Å; V507-F609 HydrophobicContact CG2-CE2 4.3Å; I512-F609 HydrophobicContact CD1-CE2 3.58Å; I512-F609 HydrophobicContact CD1-CZ 3.91Å; F554-F609 HydrophobicContact CE2-CB 4.37Å; A558-F609 HydrophobicContact CB-CD1 4.05Å; A558-F609 HydrophobicContact CB-CE1 3.74Å; A558-F609 HydrophobicContact CB-CZ 4.12Å; T561-F609 HydrophobicContact CG2-CE1 4.25Å; I562-F609 HydrophobicContact CD1-CZ 3.9Å; I562-F609 HydrophobicContact CG1-CE1 4.43Å; I562-F609 HydrophobicContact CG1-CZ 3.9Å; A605-F609 PolarHBondContact O-N 2.99Å; A605-F609 VanDerWaalsContact O-N 3.11Å; Y606-F609 HydrophobicContact CD2-CD1 4.47Å; Y606-F609 HydrophobicContact CE2-CD1 4.42Å; Y606-F609 WeakPolarHBondContact O-CB 3.37Å; Y606-F609 PolarHBondContact O-N 2.96Å; Y606-F609 VanDerWaalsContact O-N 3.14Å; L607-F609 VanDerWaalsContact C-N 3.33Å; L607-F609 PolarHBondContact O-N 3.28Å; F609-S611 PolarHBondContact O-N 3.48Å; F609-Q612 PolarHBondContact O-N 3.13Å; F609-M613 HydrophobicContact CD1-CG 4.16Å; F609-M613 HydrophobicContact CD2-CG 4.35Å; F609-M613 HydrophobicContact CE1-CG 3.67Å; F609-M613 HydrophobicContact CE2-CG 3.88Å; F609-M613 HydrophobicContact CE2-SD 4.2Å; F609-M613 HydrophobicContact CG-CG 4.47Å; F609-M613 HydrophobicContact CZ-CG 3.5Å; F609-M613 VanDerWaalsContact CZ-CG 3.5Å; F609-M613 HydrophobicContact CZ-SD 3.92Å; F609-M613 WeakPolarHBondContact O-CG 3.5Å; F609-M613 PolarHBondContact O-N 3.25Å |
| 610 | L | 95.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.8 | -43.3 | -177 | -179.8 | 63 | 0 | 0 | 0 | 111.9 | T561 V570 I574 Y606 L607 Q612 M613 I614 | T561-L610 HydrophobicContact CG2-CD1 3.52Å; V570-L610 HydrophobicContact CG1-CD1 4.49Å; I574-L610 HydrophobicContact CD1-CD2 4.21Å; I574-L610 HydrophobicContact CG1-CD2 3.52Å; Y606-L610 HydrophobicContact CE1-CD2 4.02Å; Y606-L610 HydrophobicContact CE2-CB 4.32Å; Y606-L610 WeakPolarHBondContact O-CB 3.35Å; Y606-L610 PolarHBondContact O-N 3.08Å; L607-L610 HydrophobicContact CD2-CD2 4.28Å; L607-L610 PolarHBondContact O-N 3.47Å; L610-Q612 VanDerWaalsContact C-N 3.32Å; L610-Q612 PolarHBondContact O-N 2.73Å; L610-M613 PolarHBondContact O-N 3.41Å; L610-M613 VanDerWaalsContact O-N 3.15Å; L610-I614 HydrophobicContact CD1-CD1 3.75Å; L610-I614 HydrophobicContact CD1-CG1 4.09Å; L610-I614 HydrophobicContact CD2-CD1 4.34Å; L610-I614 HydrophobicContact CG-CD1 3.67Å; L610-I614 HydrophobicContact CG-CG1 4.42Å; L610-I614 WeakPolarHBondContact O-CG1 3.46Å; L610-I614 PolarHBondContact O-N 3.29Å |
| 611 | S | 94.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.007 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.3 | -43.9 | -179.5 | 71 | 0 | 0 | 0 | 0 | 111.5 | L607 N608 F609 M613 I614 A615 C620 | L607-S611 WeakPolarHBondContact O-CB 3.46Å; L607-S611 PolarHBondContact O-N 3.36Å; L607-S611 PolarHBondContact O-OG 3.19Å; N608-S611 PolarHBondContact O-OG 2.95Å; F609-S611 PolarHBondContact O-N 3.48Å; S611-M613 PolarHBondContact O-N 3.43Å; S611-I614 PolarHBondContact O-N 2.89Å; S611-A615 PolarHBondContact O-N 3Å; S611-C620 PolarHBondContact O-SG 3.34Å |
| 612 | Q | 94.4 | Very high | 94.2 | Very high | 50 Ų | 50 | 27.3 Ų | 27.3 | 23% | 0.234 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68.6 | -32.5 | 177.1 | -69.1 | 177.5 | 66.6 | 0 | 0 | 112.7 | I504 V507 N608 F609 L610 A615 | I504-Q612 PolarHBondContact O-NE2 3.18Å; V507-Q612 HydrophobicContact CB-CB 3.95Å; V507-Q612 HydrophobicContact CG2-CB 3.79Å; V507-Q612 HydrophobicContact CG2-CG 4.34Å; N608-Q612 PolarHBondContact ND2-NE2 3.17Å; N608-Q612 WeakPolarHBondContact O-CG 3.17Å; N608-Q612 PolarHBondContact O-NE2 3.26Å; N608-Q612 VanDerWaalsContact O-NE2 3.07Å; N608-Q612 PolarHBondContact OD1-NE2 3.34Å; F609-Q612 PolarHBondContact O-N 3.13Å; L610-Q612 VanDerWaalsContact C-N 3.32Å; L610-Q612 PolarHBondContact O-N 2.73Å; Q612-A615 PolarHBondContact O-N 2.99Å |
| 613 | M | 91.7 | Very high | 94.1 | Very high | 33 Ų | 33 | 27.3 Ų | 27.3 | 16% | 0.163 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -71.9 | -35.1 | 176.9 | -76.7 | -63.3 | -63.3 | 0 | 0 | 113.6 | V507 I512 T561 I562 F609 L610 S611 A615 | V507-M613 HydrophobicContact CG1-CG 4.2Å; V507-M613 HydrophobicContact CG1-SD 3.69Å; I512-M613 HydrophobicContact CD1-SD 3.88Å; T561-M613 HydrophobicContact CG2-CB 4.41Å; I562-M613 HydrophobicContact CG1-CE 4.09Å; F609-M613 HydrophobicContact CD1-CG 4.16Å; F609-M613 HydrophobicContact CD2-CG 4.35Å; F609-M613 HydrophobicContact CE1-CG 3.67Å; F609-M613 HydrophobicContact CE2-CG 3.88Å; F609-M613 HydrophobicContact CE2-SD 4.2Å; F609-M613 HydrophobicContact CG-CG 4.47Å; F609-M613 HydrophobicContact CZ-CG 3.5Å; F609-M613 VanDerWaalsContact CZ-CG 3.5Å; F609-M613 HydrophobicContact CZ-SD 3.92Å; F609-M613 WeakPolarHBondContact O-CG 3.5Å; F609-M613 PolarHBondContact O-N 3.25Å; L610-M613 PolarHBondContact O-N 3.41Å; L610-M613 VanDerWaalsContact O-N 3.15Å; S611-M613 PolarHBondContact O-N 3.43Å; M613-A615 VanDerWaalsContact C-N 3.32Å |
| 614 | I | 90 | Very high | 94 | Very high | 29 Ų | 29 | 29.4 Ų | 29.4 | 15% | 0.149 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -75.5 | -26.5 | 174.6 | -65.6 | 162 | 0 | 0 | 0 | 111 | V570 L610 S611 N616 F619 Y676 | V570-I614 HydrophobicContact CG1-CD1 3.36Å; V570-I614 HydrophobicContact CG1-CG1 4.03Å; V570-I614 HydrophobicContact CG2-CG1 4.42Å; L610-I614 HydrophobicContact CD1-CD1 3.75Å; L610-I614 HydrophobicContact CD1-CG1 4.09Å; L610-I614 HydrophobicContact CD2-CD1 4.34Å; L610-I614 HydrophobicContact CG-CD1 3.67Å; L610-I614 HydrophobicContact CG-CG1 4.42Å; L610-I614 WeakPolarHBondContact O-CG1 3.46Å; L610-I614 PolarHBondContact O-N 3.29Å; S611-I614 PolarHBondContact O-N 2.89Å; I614-N616 VanDerWaalsContact C-N 3.25Å; I614-N616 HydrophobicContact CG2-CB 3.83Å; I614-N616 PolarHBondContact O-N 3.32Å; I614-F619 HydrophobicContact CD1-CD1 4.43Å; I614-F619 HydrophobicContact CD1-CE1 4.23Å; I614-Y676 HydrophobicContact CG2-CE2 3.66Å; I614-Y676 VanDerWaalsContact CG2-OH 3.24Å; I614-Y676 WeakPolarHBondContact CG2-OH 2.93Å |
| 615 | A | 87.1 | Confident | 93.9 | Very high | 76 Ų | 76 | 35.7 Ų | 35.7 | 63% | 0.628 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | 35.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | S611 Q612 M613 P617 | S611-A615 PolarHBondContact O-N 3Å; Q612-A615 PolarHBondContact O-N 2.99Å; M613-A615 VanDerWaalsContact C-N 3.32Å; A615-P617 WeakPolarHBondContact O-CD 3.48Å |
| 616 | N | 89.5 | Confident | 93.8 | Very high | 29 Ų | 29 | 36 Ų | 36 | 16% | 0.155 | 20% | 0.203 | C | C | . | . | trans | -88.6 | 112.6 | 170.9 | 174.8 | -52.2 | 0 | 0 | 0 | 109.1 | I614 P618 F619 C620 C670 | I614-N616 VanDerWaalsContact C-N 3.25Å; I614-N616 HydrophobicContact CG2-CB 3.83Å; I614-N616 PolarHBondContact O-N 3.32Å; N616-P618 WeakPolarHBondContact OD1-CD 3.31Å; N616-F619 HydrophobicContact CB-CB 4.07Å; N616-F619 PolarHBondContact O-N 2.96Å; N616-F619 WeakPolarHBondContact OD1-CB 3.37Å; N616-F619 PolarHBondContact OD1-N 3.5Å; N616-C620 PolarHBondContact O-N 3.02Å; N616-C620 PolarHBondContact O-SG 3.06Å; N616-C620 VanDerWaalsContact O-SG 3.39Å; N616-C670 PolarHBondContact ND2-O 3.4Å; N616-C670 VanDerWaalsContact ND2-O 3.11Å; N616-C670 PolarHBondContact OD1-O 2.89Å | ||
| 617 | P | 90.7 | Very high | 93.8 | Very high | 85 Ų | 85 | 36.9 Ų | 36.9 | 55% | 0.552 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -63.3 | -45.7 | -173.4 | -19.4 | 30.5 | 0 | 0 | 0 | 114.8 | A615 F619 C620 Q621 | A615-P617 WeakPolarHBondContact O-CD 3.48Å; P617-F619 VanDerWaalsContact C-N 3.31Å; P617-F619 PolarHBondContact O-N 3.08Å; P617-C620 PolarHBondContact O-N 3.48Å; P617-Q621 WeakPolarHBondContact O-CG 3.43Å; P617-Q621 PolarHBondContact O-N 3.47Å |
| 618 | P | 92.1 | Very high | 93.7 | Very high | 65 Ų | 65 | 43 Ų | 43 | 42% | 0.422 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -53.1 | -46.4 | 173.2 | -28.4 | 32.8 | 0 | 0 | 0 | 113.3 | N616 Q621 H622 C670 | N616-P618 WeakPolarHBondContact OD1-CD 3.31Å; P618-Q621 PolarHBondContact O-N 3.36Å; P618-H622 PolarHBondContact O-N 2.84Å; P618-C670 HydrophobicContact CB-CB 4.08Å |
| 619 | F | 92.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.6 | -41.8 | -179.8 | -173.2 | -125.3 | 0 | 0 | 0 | 112 | I574 L607 I614 N616 P617 Q621 H622 V623 M667 C670 L671 | I574-F619 HydrophobicContact CD1-CE1 4.38Å; I574-F619 HydrophobicContact CD1-CZ 4.05Å; I574-F619 HydrophobicContact CG1-CZ 4.47Å; L607-F619 HydrophobicContact CD2-CZ 4.34Å; I614-F619 HydrophobicContact CD1-CD1 4.43Å; I614-F619 HydrophobicContact CD1-CE1 4.23Å; N616-F619 HydrophobicContact CB-CB 4.07Å; N616-F619 PolarHBondContact O-N 2.96Å; N616-F619 WeakPolarHBondContact OD1-CB 3.37Å; N616-F619 PolarHBondContact OD1-N 3.5Å; P617-F619 VanDerWaalsContact C-N 3.31Å; P617-F619 PolarHBondContact O-N 3.08Å; F619-Q621 VanDerWaalsContact C-N 3.33Å; F619-Q621 PolarHBondContact O-N 3.3Å; F619-H622 PolarHBondContact O-N 2.97Å; F619-V623 HydrophobicContact CD2-CG2 4.33Å; F619-V623 HydrophobicContact CE1-CG2 4.47Å; F619-V623 HydrophobicContact CE2-CG2 4.02Å; F619-V623 HydrophobicContact CZ-CG2 4.09Å; F619-V623 WeakPolarHBondContact O-CG2 3.4Å; F619-V623 PolarHBondContact O-N 3.09Å; F619-M667 HydrophobicContact CE2-CB 4.28Å; F619-M667 HydrophobicContact CE2-CG 3.91Å; F619-M667 HydrophobicContact CE2-SD 4.02Å; F619-C670 HydrophobicContact CB-CB 4.03Å; F619-C670 HydrophobicContact CD2-CB 4.24Å; F619-L671 HydrophobicContact CB-CD2 4.34Å; F619-L671 HydrophobicContact CD2-CG 4.45Å; F619-L671 HydrophobicContact CG-CD2 4.29Å |
| 620 | C | 93.3 | Very high | 93.5 | Very high | 28 Ų | 28 | 44.4 Ų | 44.4 | 19% | 0.189 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.1 | -42 | 172.9 | -74.6 | 0 | 0 | 0 | 0 | 112.8 | S611 N616 P617 S624 | S611-C620 PolarHBondContact O-SG 3.34Å; N616-C620 PolarHBondContact O-N 3.02Å; N616-C620 PolarHBondContact O-SG 3.06Å; N616-C620 VanDerWaalsContact O-SG 3.39Å; P617-C620 PolarHBondContact O-N 3.48Å; C620-S624 WeakPolarHBondContact O-CB 3.13Å; C620-S624 PolarHBondContact O-N 3.32Å; C620-S624 PolarHBondContact O-OG 3.33Å |
| 621 | Q | 93.9 | Very high | 93.4 | Very high | 142 Ų | 142 | 48.9 Ų | 48.9 | 66% | 0.664 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -65.6 | -45.6 | 178.7 | -73.3 | 174.1 | 4.2 | 0 | 0 | 111.3 | P617 P618 F619 S624 K625 | P617-Q621 WeakPolarHBondContact O-CG 3.43Å; P617-Q621 PolarHBondContact O-N 3.47Å; P618-Q621 PolarHBondContact O-N 3.36Å; F619-Q621 VanDerWaalsContact C-N 3.33Å; F619-Q621 PolarHBondContact O-N 3.3Å; Q621-S624 PolarHBondContact O-N 3.13Å; Q621-K625 WeakPolarHBondContact O-CB 3.41Å; Q621-K625 PolarHBondContact O-N 3.24Å |
| 622 | H | 94.4 | Very high | 93.3 | Very high | 24 Ų | 24 | 56 Ų | 56 | 11% | 0.111 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.6 | -49.8 | 175.8 | 176.5 | 77.6 | 0 | 0 | 0 | 111.5 | P618 F619 S624 K625 V626 D666 | P618-H622 PolarHBondContact O-N 2.84Å; F619-H622 PolarHBondContact O-N 2.97Å; H622-S624 PolarHBondContact O-N 3.49Å; H622-K625 PolarHBondContact O-N 2.93Å; H622-V626 WeakPolarHBondContact O-CG2 3.35Å; H622-V626 PolarHBondContact O-N 3.12Å; H622-V626 VanDerWaalsContact O-N 3.1Å; H622-D666 WeakPolarHBondContact CE1-CB 3.38Å; H622-D666 IonicContact CE1-OD2 3.47Å; H622-D666 PolarHBondContact CE1-OD2 3.02Å |
| 623 | V | 95.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.6 | -42.4 | -179.9 | 171.8 | 0 | 0 | 0 | 0 | 111.8 | L607 N608 F619 K625 V626 I627 F662 | L607-V623 HydrophobicContact CB-CG1 4.36Å; L607-V623 HydrophobicContact CB-CG2 4.37Å; N608-V623 HydrophobicContact CB-CG1 4.32Å; F619-V623 HydrophobicContact CD2-CG2 4.33Å; F619-V623 HydrophobicContact CE1-CG2 4.47Å; F619-V623 HydrophobicContact CE2-CG2 4.02Å; F619-V623 HydrophobicContact CZ-CG2 4.09Å; F619-V623 WeakPolarHBondContact O-CG2 3.4Å; F619-V623 PolarHBondContact O-N 3.09Å; V623-K625 PolarHBondContact O-N 3.24Å; V623-V626 PolarHBondContact O-N 2.88Å; V623-I627 HydrophobicContact CG1-CD1 3.72Å; V623-I627 WeakPolarHBondContact O-CD1 3.43Å; V623-I627 VanDerWaalsContact O-CG1 3.28Å; V623-I627 WeakPolarHBondContact O-CG1 3.34Å; V623-I627 PolarHBondContact O-N 2.94Å; V623-I627 VanDerWaalsContact O-N 3.09Å; V623-F662 HydrophobicContact CB-CE1 4.36Å; V623-F662 HydrophobicContact CG1-CE1 4.14Å; V623-F662 HydrophobicContact CG2-CE1 4.19Å |
| 624 | S | 95.1 | Very high | 93.1 | Very high | 47 Ų | 47 | 57 Ų | 57 | 33% | 0.329 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.3 | -42.2 | 177.8 | -55.6 | 0 | 0 | 0 | 0 | 111.6 | C620 Q621 H622 V626 I627 E628 | C620-S624 WeakPolarHBondContact O-CB 3.13Å; C620-S624 PolarHBondContact O-N 3.32Å; C620-S624 PolarHBondContact O-OG 3.33Å; Q621-S624 PolarHBondContact O-N 3.13Å; H622-S624 PolarHBondContact O-N 3.49Å; S624-V626 PolarHBondContact O-N 3.4Å; S624-I627 PolarHBondContact O-N 3.07Å; S624-E628 WeakPolarHBondContact O-CG 3.25Å; S624-E628 PolarHBondContact O-N 3Å |
| 625 | K | 95.3 | Very high | 93.2 | Very high | 132 Ų | 132 | 57.7 Ų | 57.7 | 57% | 0.574 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -59.1 | -45.9 | 176.5 | -177.5 | -177.2 | 177.9 | -174.1 | 0 | 112.2 | Q621 H622 V623 I627 E628 L629 | Q621-K625 WeakPolarHBondContact O-CB 3.41Å; Q621-K625 PolarHBondContact O-N 3.24Å; H622-K625 PolarHBondContact O-N 2.93Å; V623-K625 PolarHBondContact O-N 3.24Å; K625-I627 VanDerWaalsContact C-N 3.33Å; K625-I627 PolarHBondContact O-N 3.39Å; K625-E628 PolarHBondContact O-N 3.15Å; K625-L629 HydrophobicContact CG-CD1 4.33Å; K625-L629 WeakPolarHBondContact O-CG 3.19Å; K625-L629 PolarHBondContact O-N 2.98Å |
| 626 | V | 96.1 | Very high | 93.5 | Very high | 5 Ų | 5 | 56.5 Ų | 56.5 | 3% | 0.03 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.6 | -40.3 | 177.8 | 175.4 | 0 | 0 | 0 | 0 | 111 | H622 V623 S624 L629 R630 F662 | H622-V626 WeakPolarHBondContact O-CG2 3.35Å; H622-V626 PolarHBondContact O-N 3.12Å; H622-V626 VanDerWaalsContact O-N 3.1Å; V623-V626 PolarHBondContact O-N 2.88Å; S624-V626 PolarHBondContact O-N 3.4Å; V626-L629 PolarHBondContact O-N 3.45Å; V626-R630 WeakPolarHBondContact O-CG 3.37Å; V626-R630 PolarHBondContact O-N 3.43Å; V626-F662 HydrophobicContact CB-CD1 4.1Å; V626-F662 HydrophobicContact CB-CE1 3.68Å; V626-F662 HydrophobicContact CB-CZ 4.22Å; V626-F662 HydrophobicContact CG1-CD1 3.99Å; V626-F662 HydrophobicContact CG1-CE1 3.65Å; V626-F662 HydrophobicContact CG1-CE2 4.22Å; V626-F662 HydrophobicContact CG1-CG 4.42Å; V626-F662 HydrophobicContact CG1-CZ 3.78Å; V626-F662 HydrophobicContact CG2-CD1 4.07Å; V626-F662 HydrophobicContact CG2-CE1 4.13Å |
| 627 | I | 96.3 | Very high | 93.7 | Very high | 19 Ų | 19 | 55.2 Ų | 55.2 | 10% | 0.097 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.2 | -41.8 | 177.9 | -67.8 | 164.4 | 0 | 0 | 0 | 111.5 | I503 N608 V623 S624 K625 R630 N631 L638 | I503-I627 HydrophobicContact CD1-CD1 4.26Å; I503-I627 HydrophobicContact CG1-CG2 4.25Å; I503-I627 HydrophobicContact CG2-CD1 4.34Å; I503-I627 HydrophobicContact CG2-CG2 4.18Å; N608-I627 HydrophobicContact CB-CD1 3.64Å; V623-I627 HydrophobicContact CG1-CD1 3.72Å; V623-I627 WeakPolarHBondContact O-CD1 3.43Å; V623-I627 VanDerWaalsContact O-CG1 3.28Å; V623-I627 WeakPolarHBondContact O-CG1 3.34Å; V623-I627 PolarHBondContact O-N 2.94Å; V623-I627 VanDerWaalsContact O-N 3.09Å; S624-I627 PolarHBondContact O-N 3.07Å; K625-I627 VanDerWaalsContact C-N 3.33Å; K625-I627 PolarHBondContact O-N 3.39Å; I627-R630 PolarHBondContact O-N 3.15Å; I627-N631 WeakPolarHBondContact O-CB 3.5Å; I627-N631 PolarHBondContact O-N 3.35Å; I627-L638 HydrophobicContact CG2-CD2 4.27Å |
| 628 | E | 95.3 | Very high | 93.9 | Very high | 129 Ų | 129 | 51.2 Ų | 51.2 | 60% | 0.603 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -60.6 | -45.6 | 175.7 | -75.6 | 173.1 | -173.7 | 0 | 0 | 111.5 | S624 K625 N631 M632 | S624-E628 WeakPolarHBondContact O-CG 3.25Å; S624-E628 PolarHBondContact O-N 3Å; K625-E628 PolarHBondContact O-N 3.15Å; E628-N631 WeakPolarHBondContact O-CB 3.26Å; E628-N631 PolarHBondContact O-N 3.43Å; E628-M632 PolarHBondContact O-N 2.64Å; E628-M632 VanDerWaalsContact O-N 3.16Å |
| 629 | L | 94.9 | Very high | 93.9 | Very high | 38 Ų | 38 | 48.4 Ų | 48.4 | 20% | 0.199 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.3 | -44.7 | 175.9 | -70 | 170.6 | 0 | 0 | 0 | 112 | K625 V626 N631 M632 D633 Q659 L660 | K625-L629 HydrophobicContact CG-CD1 4.33Å; K625-L629 WeakPolarHBondContact O-CG 3.19Å; K625-L629 PolarHBondContact O-N 2.98Å; V626-L629 PolarHBondContact O-N 3.45Å; L629-N631 VanDerWaalsContact C-N 3.27Å; L629-N631 PolarHBondContact O-N 3.32Å; L629-M632 PolarHBondContact O-N 2.74Å; L629-M632 VanDerWaalsContact O-N 3.15Å; L629-D633 PolarHBondContact O-N 3.03Å; L629-Q659 HydrophobicContact CD1-CB 4.08Å; L629-Q659 WeakPolarHBondContact CD1-O 3.22Å; L629-L660 HydrophobicContact CB-CD2 3.99Å |
| 630 | R | 95.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.5 | -38.5 | 173.4 | -73.9 | -179.2 | -176.7 | -165.6 | 4.3 | 112 | M600 V626 I627 M632 A634 P635 L637 L638 L660 | M600-R630 PolarHBondContact O-NH1 3.22Å; V626-R630 WeakPolarHBondContact O-CG 3.37Å; V626-R630 PolarHBondContact O-N 3.43Å; I627-R630 PolarHBondContact O-N 3.15Å; R630-M632 PolarHBondContact O-N 3.28Å; R630-A634 CarbonylContact O-C 2.85Å; R630-A634 WeakPolarHBondContact O-CA 3.5Å; R630-A634 PolarHBondContact O-N 3.48Å; R630-P635 WeakPolarHBondContact O-CA 3.35Å; R630-L637 HydrophobicContact CG-CB 4.36Å; R630-L637 HydrophobicContact CG-CD1 4.39Å; R630-L638 HydrophobicContact CB-CD1 4.08Å; R630-L638 HydrophobicContact CB-CD2 3.97Å; R630-L638 HydrophobicContact CB-CG 3.93Å; R630-L660 HydrophobicContact CG-CD2 4.43Å; R630-L660 VanDerWaalsContact CZ-O 3.28Å; R630-L660 PolarHBondContact NE-O 3.42Å; R630-L660 PolarHBondContact NH2-O 3.49Å |
| 631 | N | 93.3 | Very high | 93.7 | Very high | 95 Ų | 95 | 52.3 Ų | 52.3 | 51% | 0.508 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -67.5 | -27.6 | 180 | -167.4 | 61.4 | 0 | 0 | 0 | 112.6 | I627 E628 L629 L638 | I627-N631 WeakPolarHBondContact O-CB 3.5Å; I627-N631 PolarHBondContact O-N 3.35Å; E628-N631 WeakPolarHBondContact O-CB 3.26Å; E628-N631 PolarHBondContact O-N 3.43Å; L629-N631 VanDerWaalsContact C-N 3.27Å; L629-N631 PolarHBondContact O-N 3.32Å; N631-L638 HydrophobicContact CB-CD1 3.8Å |
| 632 | M | 91.7 | Very high | 93.6 | Very high | 149 Ų | 149 | 46.4 Ų | 46.4 | 73% | 0.734 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -83.9 | -49.8 | 176.2 | -66.8 | -173.3 | 64.7 | 0 | 0 | 112.5 | E628 L629 R630 | E628-M632 PolarHBondContact O-N 2.64Å; E628-M632 VanDerWaalsContact O-N 3.16Å; L629-M632 PolarHBondContact O-N 2.74Å; L629-M632 VanDerWaalsContact O-N 3.15Å; R630-M632 PolarHBondContact O-N 3.28Å |
| 633 | D | 91 | Very high | 93.3 | Very high | 106 Ų | 106 | 47.2 Ų | 47.2 | 57% | 0.567 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -108 | -23.3 | -164.5 | -59.3 | -32.3 | 0 | 0 | 0 | 113.6 | L629 L660 | L629-D633 PolarHBondContact O-N 3.03Å; D633-L660 HydrophobicContact CB-CD2 4.23Å |
| 634 | A | 92.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | trans | -145.9 | 60.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | R630 Y636 L637 L660 | R630-A634 CarbonylContact O-C 2.85Å; R630-A634 WeakPolarHBondContact O-CA 3.5Å; R630-A634 PolarHBondContact O-N 3.48Å; A634-Y636 HydrophobicContact CB-CE1 4.08Å; A634-Y636 HydrophobicContact CB-CE2 4.02Å; A634-Y636 PolarHBondContact O-N 3.2Å; A634-Y636 VanDerWaalsContact O-N 3.11Å; A634-L637 HydrophobicContact CB-CD1 3.78Å; A634-L637 HydrophobicContact CB-CG 4.05Å; A634-L637 WeakPolarHBondContact O-CB 3.18Å; A634-L637 PolarHBondContact O-N 3.36Å; A634-L660 HydrophobicContact CB-CD1 3.84Å; A634-L660 HydrophobicContact CB-CD2 4.48Å | ||
| 635 | P | 91.7 | Very high | 91.6 | Very high | 43 Ų | 43 | 60.3 Ų | 60.3 | 28% | 0.279 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -62.1 | -25.1 | -172.8 | 23 | -33.8 | 0 | 0 | 0 | 113.2 | R630 L637 L638 H641 | R630-P635 WeakPolarHBondContact O-CA 3.35Å; P635-L637 PolarHBondContact O-N 2.95Å; P635-L637 VanDerWaalsContact O-N 3.14Å; P635-L638 WeakPolarHBondContact O-CB 3.43Å; P635-L638 PolarHBondContact O-N 3.4Å; P635-H641 HydrophobicContact CB-CB 4.43Å; P635-H641 VanDerWaalsContact O-CB 3.3Å; P635-H641 WeakPolarHBondContact O-CB 3.24Å; P635-H641 PolarHBondContact O-ND1 3.24Å |
| 636 | Y | 92.1 | Very high | 90.5 | Very high | 51 Ų | 51 | 63.7 Ų | 63.7 | 20% | 0.2 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -62.9 | -12.3 | 174.3 | 52.1 | -98.8 | 0 | 0 | 0 | 114 | C597 A634 L638 P650 L653 | C597-Y636 WeakPolarHBondContact CB-O 3.49Å; A634-Y636 HydrophobicContact CB-CE1 4.08Å; A634-Y636 HydrophobicContact CB-CE2 4.02Å; A634-Y636 PolarHBondContact O-N 3.2Å; A634-Y636 VanDerWaalsContact O-N 3.11Å; Y636-L638 VanDerWaalsContact C-N 3.33Å; Y636-P650 HydrophobicContact CD2-CG 3.75Å; Y636-P650 HydrophobicContact CE1-CB 4.33Å; Y636-P650 HydrophobicContact CE1-CG 4.48Å; Y636-P650 HydrophobicContact CE2-CB 4.05Å; Y636-P650 HydrophobicContact CE2-CG 3.52Å; Y636-P650 HydrophobicContact CG-CG 4.34Å; Y636-L653 HydrophobicContact CE2-CD2 4.12Å |
| 637 | L | 93.9 | Very high | 89.8 | Confident | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -90 | 4.3 | 172.7 | -56.8 | -178.5 | 0 | 0 | 0 | 113.3 | M600 A601 R630 A634 P635 L653 Y661 | M600-L637 CarbonylContact C-O 3.54Å; M600-L637 HydrophobicContact CB-CB 4.25Å; M600-L637 HydrophobicContact CB-CD2 3.72Å; M600-L637 HydrophobicContact CG-CD2 3.88Å; A601-L637 VanDerWaalsContact CA-O 3.24Å; A601-L637 WeakPolarHBondContact CA-O 3.4Å; A601-L637 PolarHBondContact N-O 3Å; R630-L637 HydrophobicContact CG-CB 4.36Å; R630-L637 HydrophobicContact CG-CD1 4.39Å; A634-L637 HydrophobicContact CB-CD1 3.78Å; A634-L637 HydrophobicContact CB-CG 4.05Å; A634-L637 WeakPolarHBondContact O-CB 3.18Å; A634-L637 PolarHBondContact O-N 3.36Å; P635-L637 PolarHBondContact O-N 2.95Å; P635-L637 VanDerWaalsContact O-N 3.14Å; L637-L653 HydrophobicContact CD2-CD2 3.95Å; L637-Y661 HydrophobicContact CD1-CE1 4.32Å |
| 638 | L | 94.9 | Very high | 89.1 | Confident | 2 Ų | 2 | 69 Ų | 69 | 1% | 0.01 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -114.8 | 143.8 | -179.6 | -63.6 | 177.4 | 0 | 0 | 0 | 111.3 | I503 A604 I627 R630 N631 P635 Y636 E640 H641 I642 | I503-L638 HydrophobicContact CD1-CD2 4.32Å; I503-L638 HydrophobicContact CG1-CD2 4.43Å; A604-L638 HydrophobicContact CB-CD2 4.01Å; I627-L638 HydrophobicContact CG2-CD2 4.27Å; R630-L638 HydrophobicContact CB-CD1 4.08Å; R630-L638 HydrophobicContact CB-CD2 3.97Å; R630-L638 HydrophobicContact CB-CG 3.93Å; N631-L638 HydrophobicContact CB-CD1 3.8Å; P635-L638 WeakPolarHBondContact O-CB 3.43Å; P635-L638 PolarHBondContact O-N 3.4Å; Y636-L638 VanDerWaalsContact C-N 3.33Å; L638-E640 PolarHBondContact O-N 3.24Å; L638-H641 PolarHBondContact O-N 2.85Å; L638-I642 WeakPolarHBondContact O-CG2 3.35Å; L638-I642 PolarHBondContact O-N 3.3Å |
| 639 | P | 93.2 | Very high | 88.8 | Confident | 5 Ų | 5 | 66.7 Ų | 66.7 | 3% | 0.032 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.2 | -31.6 | -175.6 | 25.7 | -35.5 | 0 | 0 | 0 | 112.9 | I501 I503 A601 A605 H641 F643 | I501-P639 HydrophobicContact CB-CB 4.5Å; I501-P639 HydrophobicContact CD1-CB 4.29Å; I501-P639 HydrophobicContact CG1-CB 3.87Å; I501-P639 HydrophobicContact CG1-CG 4.49Å; I501-P639 HydrophobicContact CG2-CB 4.18Å; I503-P639 HydrophobicContact CD1-CG 4.12Å; I503-P639 HydrophobicContact CG1-CG 4.22Å; A601-P639 HydrophobicContact CB-CB 4.25Å; A605-P639 HydrophobicContact CB-CG 4.18Å; P639-H641 PolarHBondContact O-N 3.38Å; P639-H641 VanDerWaalsContact O-N 3.14Å; P639-F643 HydrophobicContact CB-CD2 4.13Å; P639-F643 HydrophobicContact CB-CE2 4.09Å; P639-F643 WeakPolarHBondContact O-CD2 3.45Å |
| 640 | E | 90.3 | Very high | 88.6 | Confident | 58 Ų | 58 | 66.1 Ų | 66.1 | 27% | 0.271 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.5 | -22.1 | -179.2 | -67.1 | 72.8 | -159.9 | 0 | 0 | 113.2 | I503 L638 R644 | I503-E640 WeakPolarHBondContact CB-OE1 3.45Å; I503-E640 WeakPolarHBondContact CG1-OE1 3.48Å; I503-E640 PolarHBondContact N-OE1 3.09Å; L638-E640 PolarHBondContact O-N 3.24Å; E640-R644 WeakPolarHBondContact O-CD 3.22Å; E640-R644 WeakPolarHBondContact O-CG 3.42Å; E640-R644 VanDerWaalsContact O-CZ 3.31Å; E640-R644 PolarHBondContact O-NE 2.99Å; E640-R644 PolarHBondContact O-NH2 3.31Å |
| 641 | H | 90.3 | Very high | 87.9 | Confident | 53 Ų | 53 | 75.8 Ų | 75.8 | 25% | 0.245 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -113.3 | -44.7 | -174.7 | -58.2 | 94.3 | 0 | 0 | 0 | 112.6 | P635 L638 P639 F643 R644 C647 | P635-H641 HydrophobicContact CB-CB 4.43Å; P635-H641 VanDerWaalsContact O-CB 3.3Å; P635-H641 WeakPolarHBondContact O-CB 3.24Å; P635-H641 PolarHBondContact O-ND1 3.24Å; L638-H641 PolarHBondContact O-N 2.85Å; P639-H641 PolarHBondContact O-N 3.38Å; P639-H641 VanDerWaalsContact O-N 3.14Å; H641-F643 VanDerWaalsContact C-N 3.26Å; H641-F643 PolarHBondContact O-N 2.8Å; H641-R644 PolarHBondContact O-N 3.43Å; H641-C647 WeakPolarHBondContact O-CB 2.96Å; H641-C647 PolarHBondContact O-SG 3.02Å |
| 642 | I | 91.4 | Very high | 87.6 | Confident | 18 Ų | 18 | 75.1 Ų | 75.1 | 9% | 0.092 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.4 | -32.6 | -173.5 | -171.4 | 55.9 | 0 | 0 | 0 | 113 | C597 A601 L638 L649 | C597-I642 HydrophobicContact CB-CD1 3.49Å; C597-I642 VanDerWaalsContact CB-CD1 3.49Å; C597-I642 HydrophobicContact CB-CG1 3.85Å; A601-I642 HydrophobicContact CB-CG2 3.63Å; L638-I642 WeakPolarHBondContact O-CG2 3.35Å; L638-I642 PolarHBondContact O-N 3.3Å; I642-L649 HydrophobicContact CD1-CD2 3.38Å |
| 643 | F | 88.2 | Confident | 87.4 | Confident | 41 Ų | 41 | 68.8 Ų | 68.8 | 18% | 0.18 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 8.5 | -178.2 | -57.4 | -58.5 | 0 | 0 | 0 | 113.8 | I501 H547 F550 A601 P639 H641 | I501-F643 HydrophobicContact CD1-CE2 3.95Å; I501-F643 HydrophobicContact CG2-CD2 3.65Å; I501-F643 HydrophobicContact CG2-CE2 3.58Å; H547-F643 HydrophobicContact CB-CB 4.49Å; H547-F643 HydrophobicContact CB-CD1 3.86Å; H547-F643 HydrophobicContact CB-CG 4.38Å; H547-F643 AromaticContact CD2-CD1 3.38Å; H547-F643 WeakPolarHBondContact CD2-CD1 3.48Å; H547-F643 AromaticContact CD2-CD2 3.6Å; H547-F643 AromaticContact CD2-CE1 3.95Å; H547-F643 AromaticContact CD2-CG 3.19Å; H547-F643 WeakPolarHBondContact CD2-CG 3.25Å; H547-F643 AromaticContact CG-CD1 3.71Å; H547-F643 AromaticContact CG-CG 3.74Å; H547-F643 WeakPolarHBondContact NE2-CB 3.23Å; H547-F643 AromaticContact NE2-CD2 3.65Å; H547-F643 AromaticContact NE2-CG 3.5Å; F550-F643 HydrophobicContact CB-CE1 4.08Å; F550-F643 HydrophobicContact CB-CE2 4.48Å; F550-F643 HydrophobicContact CB-CZ 3.65Å; F550-F643 AromaticContact CD2-CE1 3.69Å; F550-F643 HydrophobicContact CD2-CE1 3.69Å; F550-F643 AromaticContact CD2-CZ 3.96Å; F550-F643 HydrophobicContact CD2-CZ 3.96Å; F550-F643 HydrophobicContact CE2-CE1 4.4Å; F550-F643 HydrophobicContact CG-CE1 4.04Å; F550-F643 AromaticContact CG-CZ 3.8Å; F550-F643 HydrophobicContact CG-CZ 3.8Å; A601-F643 HydrophobicContact CB-CE2 4.22Å; P639-F643 HydrophobicContact CB-CD2 4.13Å; P639-F643 HydrophobicContact CB-CE2 4.09Å; P639-F643 WeakPolarHBondContact O-CD2 3.45Å; H641-F643 VanDerWaalsContact C-N 3.26Å; H641-F643 PolarHBondContact O-N 2.8Å |
| 644 | R | 85.6 | Confident | 87 | Confident | 160 Ų | 160 | 67.5 Ų | 67.5 | 60% | 0.604 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -84.4 | 151.8 | 170.6 | -67.7 | -172.8 | -173.1 | 174.1 | 7.4 | 111.2 | E640 H641 K646 C647 | E640-R644 WeakPolarHBondContact O-CD 3.22Å; E640-R644 WeakPolarHBondContact O-CG 3.42Å; E640-R644 VanDerWaalsContact O-CZ 3.31Å; E640-R644 PolarHBondContact O-NE 2.99Å; E640-R644 PolarHBondContact O-NH2 3.31Å; H641-R644 PolarHBondContact O-N 3.43Å; R644-K646 PolarHBondContact O-N 3.07Å; R644-C647 PolarHBondContact O-N 2.94Å |
| 645 | D | 71.1 | Confident | 86.4 | Confident | 161 Ų | 161 | 72.8 Ų | 72.8 | 86% | 0.861 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 124.1 | 172.2 | -72.6 | -29.2 | 0 | 0 | 0 | 110.6 | ||
| 646 | K | 72.3 | Confident | 85.8 | Confident | 204 Ų | 204 | 76.5 Ų | 76.5 | 89% | 0.887 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.5 | 46.2 | 178.5 | -51.4 | 177.5 | -179.1 | 177.7 | 0 | 115.3 | R644 | R644-K646 PolarHBondContact O-N 3.07Š|
| 647 | C | 79.9 | Confident | 85.5 | Confident | 29 Ų | 29 | 77.5 Ų | 77.5 | 20% | 0.196 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 128.1 | 168.2 | -167.2 | 0 | 0 | 0 | 0 | 111.4 | H641 R644 L649 | H641-C647 WeakPolarHBondContact O-CB 2.96Å; H641-C647 PolarHBondContact O-SG 3.02Å; R644-C647 PolarHBondContact O-N 2.94Å; C647-L649 PolarHBondContact O-N 3.49Å |
| 648 | P | 82.9 | Confident | 85.1 | Confident | 107 Ų | 107 | 85.2 Ų | 85.2 | 70% | 0.695 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -69.7 | 117.4 | 171.5 | 28 | -31.6 | 0 | 0 | 0 | 109.7 | ||
| 649 | L | 88.7 | Confident | 84.7 | Confident | 80 Ų | 80 | 92.2 Ų | 92.2 | 42% | 0.419 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -90.4 | 143.2 | 178.1 | -61.8 | 175.1 | 0 | 0 | 0 | 110.3 | M593 I642 C647 | M593-L649 HydrophobicContact CB-CD1 4.47Å; M593-L649 HydrophobicContact CG-CB 4.11Å; I642-L649 HydrophobicContact CD1-CD2 3.38Å; C647-L649 PolarHBondContact O-N 3.49Å |
| 650 | P | 89.7 | Confident | 84.6 | Confident | 25 Ų | 25 | 92.7 Ų | 92.7 | 16% | 0.162 | 45% | 0.454 | C | S | . | . | P | Polyproline II helix | trans | -70.5 | 158.7 | 174.9 | 33.5 | -38.9 | 0 | 0 | 0 | 111.4 | M593 Y636 L653 | M593-P650 HydrophobicContact CE-CG 4.43Å; M593-P650 HydrophobicContact CG-CG 4.19Å; M593-P650 HydrophobicContact SD-CG 3.98Å; Y636-P650 HydrophobicContact CD2-CG 3.75Å; Y636-P650 HydrophobicContact CE1-CB 4.33Å; Y636-P650 HydrophobicContact CE1-CG 4.48Å; Y636-P650 HydrophobicContact CE2-CB 4.05Å; Y636-P650 HydrophobicContact CE2-CG 3.52Å; Y636-P650 HydrophobicContact CG-CG 4.34Å; P650-L653 HydrophobicContact CG-CD2 4.06Å |
| 651 | E | 82 | Confident | 84.8 | Confident | 204 Ų | 204 | 90.3 Ų | 90.3 | 95% | 0.953 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -71.6 | -35.7 | 175 | -65.2 | -174 | 169.8 | 0 | 0 | 112 | ||
| 652 | S | 85.4 | Confident | 85 | Confident | 81 Ų | 81 | 87.9 Ų | 87.9 | 57% | 0.566 | 43% | 0.432 | S | S | * | . | trans | -150.1 | 164.5 | 176.9 | 65.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 653 | L | 87.6 | Confident | 85 | Confident | 15 Ų | 15 | 89.7 Ų | 89.7 | 8% | 0.079 | 44% | 0.44 | C | S | . | . | trans | -106.6 | 113.4 | 168.7 | -64 | 175.8 | 0 | 0 | 0 | 107.5 | L585 M593 R596 M600 Y636 L637 P650 | L585-L653 HydrophobicContact CD2-CB 4.13Å; M593-L653 HydrophobicContact CE-CG 4.44Å; M593-L653 HydrophobicContact SD-CD1 4.35Å; M593-L653 HydrophobicContact SD-CD2 4.49Å; M593-L653 HydrophobicContact SD-CG 4.04Å; R596-L653 HydrophobicContact CB-CD1 4.25Å; M600-L653 HydrophobicContact CE-CD1 4.39Å; Y636-L653 HydrophobicContact CE2-CD2 4.12Å; L637-L653 HydrophobicContact CD2-CD2 3.95Å; P650-L653 HydrophobicContact CG-CD2 4.06Å | ||
| 654 | D | 82.9 | Confident | 85.1 | Confident | 79 Ų | 79 | 89.7 Ų | 89.7 | 42% | 0.422 | 44% | 0.443 | S | S | . | . | trans | -75.4 | 135.3 | 177.2 | -162.7 | -21.3 | 0 | 0 | 0 | 109.8 | D656 Y661 | D654-D656 VanDerWaalsContact C-N 3.31Å; D654-D656 PolarHBondContact OD1-N 2.99Å; D654-Y661 WeakPolarHBondContact O-CE2 3.46Å; D654-Y661 PolarHBondContact O-OH 3.16Å | ||
| 655 | K | 79.6 | Confident | 85.3 | Confident | 111 Ų | 111 | 85.5 Ų | 85.5 | 48% | 0.483 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -78.9 | -18.7 | 176.2 | -66.5 | -173.2 | -173.8 | -176.4 | 0 | 112 | L585 N586 D657 | L585-K655 HydrophobicContact CB-CG 4.47Å; L585-K655 WeakPolarHBondContact O-CE 3.3Å; N586-K655 WeakPolarHBondContact OD1-CE 3.3Å; N586-K655 PolarHBondContact OD1-NZ 3.42Å; K655-D657 VanDerWaalsContact C-N 3.33Å |
| 656 | D | 79.9 | Confident | 86.1 | Confident | 121 Ų | 121 | 81.1 Ų | 81.1 | 65% | 0.647 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -81.7 | -11.7 | -177.9 | -70.4 | -31 | 0 | 0 | 0 | 113.2 | D654 R658 | D654-D656 VanDerWaalsContact C-N 3.31Å; D654-D656 PolarHBondContact OD1-N 2.99Å; D656-R658 PolarHBondContact O-N 2.84Å |
| 657 | D | 85.5 | Confident | 87 | Confident | 73 Ų | 73 | 71.4 Ų | 71.4 | 39% | 0.39 | 38% | 0.377 | S | S | . | . | trans | -73.2 | 49.2 | 171.8 | -72 | -30.4 | 0 | 0 | 0 | 112.9 | K655 Q659 L660 Y661 | K655-D657 VanDerWaalsContact C-N 3.33Å; D657-Q659 PolarHBondContact O-N 2.88Å; D657-L660 HydrophobicContact CB-CB 4.5Å; D657-L660 HydrophobicContact CB-CD1 4.02Å; D657-L660 HydrophobicContact CB-CG 4.36Å; D657-L660 PolarHBondContact O-N 3.4Å; D657-Y661 HydrophobicContact CB-CE2 3.93Å; D657-Y661 WeakPolarHBondContact O-CD2 3.24Å; D657-Y661 WeakPolarHBondContact O-CE2 3.36Å | ||
| 658 | R | 84.8 | Confident | 87.4 | Confident | 162 Ų | 162 | 71.2 Ų | 71.2 | 61% | 0.611 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -53.6 | -28.4 | -171.7 | -65.8 | -175.2 | -178.3 | -171 | -0.2 | 114 | D656 L660 Y661 Q663 | D656-R658 PolarHBondContact O-N 2.84Å; R658-L660 VanDerWaalsContact C-N 3.29Å; R658-L660 PolarHBondContact O-N 3.03Å; R658-Y661 PolarHBondContact O-N 3.45Å; R658-Y661 VanDerWaalsContact O-O 3.13Å; R658-Q663 PolarHBondContact O-NE2 3.03Å |
| 659 | Q | 88.2 | Confident | 87.7 | Confident | 149 Ų | 149 | 73.4 Ų | 73.4 | 70% | 0.696 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -72.1 | -21.7 | -179.5 | -55.6 | -176 | 20.1 | 0 | 0 | 113.2 | L629 D657 | L629-Q659 HydrophobicContact CD1-CB 4.08Å; L629-Q659 WeakPolarHBondContact CD1-O 3.22Å; D657-Q659 PolarHBondContact O-N 2.88Å |
| 660 | L | 90.2 | Very high | 87.7 | Confident | 16 Ų | 16 | 70.7 Ų | 70.7 | 8% | 0.084 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | -86.6 | -8.9 | 176.2 | -61.2 | 179.8 | 0 | 0 | 0 | 112.7 | L629 R630 D633 A634 D657 R658 | L629-L660 HydrophobicContact CB-CD2 3.99Å; R630-L660 HydrophobicContact CG-CD2 4.43Å; R630-L660 VanDerWaalsContact CZ-O 3.28Å; R630-L660 PolarHBondContact NE-O 3.42Å; R630-L660 PolarHBondContact NH2-O 3.49Å; D633-L660 HydrophobicContact CB-CD2 4.23Å; A634-L660 HydrophobicContact CB-CD1 3.84Å; A634-L660 HydrophobicContact CB-CD2 4.48Å; D657-L660 HydrophobicContact CB-CB 4.5Å; D657-L660 HydrophobicContact CB-CD1 4.02Å; D657-L660 HydrophobicContact CB-CG 4.36Å; D657-L660 PolarHBondContact O-N 3.4Å; R658-L660 VanDerWaalsContact C-N 3.29Å; R658-L660 PolarHBondContact O-N 3.03Å |
| 661 | Y | 93.9 | Very high | 87.5 | Confident | 7 Ų | 7 | 69.5 Ų | 69.5 | 3% | 0.027 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -115.3 | 148.7 | -175.6 | -54.2 | -57.7 | 0 | 0 | 0 | 112 | L585 M600 L637 D654 D657 R658 Q663 | L585-Y661 HydrophobicContact CD1-CD1 4.37Å; L585-Y661 HydrophobicContact CD1-CD2 4.41Å; L585-Y661 HydrophobicContact CD1-CG 4.32Å; L585-Y661 HydrophobicContact CD2-CD1 4.36Å; L585-Y661 HydrophobicContact CD2-CE1 3.72Å; L585-Y661 HydrophobicContact CD2-CE2 4.1Å; M600-Y661 HydrophobicContact CE-CD1 4.27Å; M600-Y661 HydrophobicContact CE-CE1 4.05Å; M600-Y661 HydrophobicContact SD-CD1 4.38Å; M600-Y661 HydrophobicContact SD-CE1 4.4Å; L637-Y661 HydrophobicContact CD1-CE1 4.32Å; D654-Y661 WeakPolarHBondContact O-CE2 3.46Å; D654-Y661 PolarHBondContact O-OH 3.16Å; D657-Y661 HydrophobicContact CB-CE2 3.93Å; D657-Y661 WeakPolarHBondContact O-CD2 3.24Å; D657-Y661 WeakPolarHBondContact O-CE2 3.36Å; R658-Y661 PolarHBondContact O-N 3.45Å; R658-Y661 VanDerWaalsContact O-O 3.13Å; Y661-Q663 PolarHBondContact O-N 3.41Å |
| 662 | F | 94.1 | Very high | 87.4 | Confident | 3 Ų | 3 | 63.5 Ų | 63.5 | 1% | 0.013 | 34% | 0.344 | C | S | . | . | trans | -73.2 | 111 | 175.2 | -60.8 | -75.5 | 0 | 0 | 0 | 109.4 | Q581 V603 A604 L607 V623 V626 M667 | Q581-F662 PolarHBondContact NE2-O 3.01Å; V603-F662 HydrophobicContact CG1-CD2 3.83Å; V603-F662 HydrophobicContact CG1-CE2 3.99Å; A604-F662 HydrophobicContact CB-CE2 4.46Å; L607-F662 HydrophobicContact CB-CE1 4.5Å; L607-F662 HydrophobicContact CB-CZ 4.38Å; L607-F662 HydrophobicContact CD1-CB 4.08Å; L607-F662 HydrophobicContact CD1-CD1 3.82Å; L607-F662 HydrophobicContact CD1-CD2 3.49Å; L607-F662 VanDerWaalsContact CD1-CD2 3.49Å; L607-F662 HydrophobicContact CD1-CE1 4.09Å; L607-F662 HydrophobicContact CD1-CE2 3.79Å; L607-F662 HydrophobicContact CD1-CG 3.51Å; L607-F662 HydrophobicContact CD1-CZ 4.08Å; V623-F662 HydrophobicContact CB-CE1 4.36Å; V623-F662 HydrophobicContact CG1-CE1 4.14Å; V623-F662 HydrophobicContact CG2-CE1 4.19Å; V626-F662 HydrophobicContact CB-CD1 4.1Å; V626-F662 HydrophobicContact CB-CE1 3.68Å; V626-F662 HydrophobicContact CB-CZ 4.22Å; V626-F662 HydrophobicContact CG1-CD1 3.99Å; V626-F662 HydrophobicContact CG1-CE1 3.65Å; V626-F662 HydrophobicContact CG1-CE2 4.22Å; V626-F662 HydrophobicContact CG1-CG 4.42Å; V626-F662 HydrophobicContact CG1-CZ 3.78Å; V626-F662 HydrophobicContact CG2-CD1 4.07Å; V626-F662 HydrophobicContact CG2-CE1 4.13Å; F662-M667 HydrophobicContact CB-CE 3.95Å; F662-M667 HydrophobicContact CB-SD 4.01Å | ||
| 663 | Q | 92.2 | Very high | 86.7 | Confident | 56 Ų | 56 | 61.4 Ų | 61.4 | 26% | 0.262 | 34% | 0.335 | S | S | . | . | trans | -86.7 | 128.8 | -177.6 | -60.5 | -60 | -39.9 | 0 | 0 | 110.7 | R658 Y661 A665 D666 M667 | R658-Q663 PolarHBondContact O-NE2 3.03Å; Y661-Q663 PolarHBondContact O-N 3.41Å; Q663-A665 VanDerWaalsContact C-N 3.26Å; Q663-A665 PolarHBondContact O-N 3.47Å; Q663-D666 HydrophobicContact CB-CB 4.2Å; Q663-D666 PolarHBondContact O-N 3.46Å; Q663-M667 WeakPolarHBondContact O-CG 3.35Å; Q663-M667 PolarHBondContact O-N 3.46Å | ||
| 664 | T | 90.5 | Very high | 85.3 | Confident | 40 Ų | 40 | 67.8 Ų | 67.8 | 25% | 0.245 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -58.3 | -38 | -179.4 | -51.5 | 0 | 0 | 0 | 0 | 112.5 | A668 L681 | T664-A668 WeakPolarHBondContact O-CB 3.42Å; T664-A668 PolarHBondContact O-N 3.36Å; T664-L681 HydrophobicContact CG2-CB 4.17Å; T664-L681 WeakPolarHBondContact CG2-O 3.28Å |
| 665 | A | 88.8 | Confident | 84.7 | Confident | 73 Ų | 73 | 65.4 Ų | 65.4 | 60% | 0.603 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -63.1 | -50.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | Q663 M667 A668 E669 | Q663-A665 VanDerWaalsContact C-N 3.26Å; Q663-A665 PolarHBondContact O-N 3.47Å; A665-M667 VanDerWaalsContact C-N 3.33Å; A665-M667 PolarHBondContact O-N 3.46Å; A665-A668 PolarHBondContact O-N 2.94Å; A665-E669 PolarHBondContact O-N 2.86Å |
| 666 | D | 89.5 | Confident | 84.9 | Confident | 68 Ų | 68 | 62.9 Ų | 62.9 | 36% | 0.364 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63 | -39.9 | 179.9 | -59.7 | -6.7 | 0 | 0 | 0 | 111.5 | H622 Q663 E669 C670 | H622-D666 WeakPolarHBondContact CE1-CB 3.38Å; H622-D666 IonicContact CE1-OD2 3.47Å; H622-D666 PolarHBondContact CE1-OD2 3.02Å; Q663-D666 HydrophobicContact CB-CB 4.2Å; Q663-D666 PolarHBondContact O-N 3.46Å; D666-E669 PolarHBondContact O-N 3.27Å; D666-C670 PolarHBondContact O-N 2.96Å; D666-C670 PolarHBondContact O-SG 3.49Å |
| 667 | M | 90 | Very high | 85 | Confident | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -67.5 | -38.4 | 176.3 | -69.4 | -170.4 | -70.9 | 0 | 0 | 112.4 | I574 V578 F619 F662 Q663 A665 C670 L671 | I574-M667 HydrophobicContact CG2-CE 4.42Å; I574-M667 HydrophobicContact CG2-SD 4.13Å; V578-M667 HydrophobicContact CG2-CE 3.33Å; F619-M667 HydrophobicContact CE2-CB 4.28Å; F619-M667 HydrophobicContact CE2-CG 3.91Å; F619-M667 HydrophobicContact CE2-SD 4.02Å; F662-M667 HydrophobicContact CB-CE 3.95Å; F662-M667 HydrophobicContact CB-SD 4.01Å; Q663-M667 WeakPolarHBondContact O-CG 3.35Å; Q663-M667 PolarHBondContact O-N 3.46Å; A665-M667 VanDerWaalsContact C-N 3.33Å; A665-M667 PolarHBondContact O-N 3.46Å; M667-C670 PolarHBondContact O-N 2.62Å; M667-L671 WeakPolarHBondContact O-CB 3.38Å; M667-L671 WeakPolarHBondContact O-CG 3.03Å; M667-L671 PolarHBondContact O-N 3.36Å; M667-L671 VanDerWaalsContact O-N 3.14Å |
| 668 | A | 88.9 | Confident | 84.8 | Confident | 25 Ų | 25 | 58.4 Ų | 58.4 | 21% | 0.207 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.3 | -40.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | T664 A665 L671 A672 A678 L681 | T664-A668 WeakPolarHBondContact O-CB 3.42Å; T664-A668 PolarHBondContact O-N 3.36Å; A665-A668 PolarHBondContact O-N 2.94Å; A668-L671 CarbonylContact O-C 3.58Å; A668-L671 PolarHBondContact O-N 2.62Å; A668-A672 PolarHBondContact O-N 2.99Å; A668-A672 VanDerWaalsContact O-N 3.11Å; A668-A678 HydrophobicContact CB-CB 4.45Å; A668-L681 HydrophobicContact CB-CB 4.46Å; A668-L681 HydrophobicContact CB-CD1 4.01Å |
| 669 | E | 89.1 | Confident | 84.7 | Confident | 153 Ų | 153 | 58.3 Ų | 58.3 | 72% | 0.715 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -62.6 | -44.8 | 173.9 | -172.6 | 179.1 | -179.4 | 0 | 0 | 111.6 | A665 D666 L671 A672 | A665-E669 PolarHBondContact O-N 2.86Å; D666-E669 PolarHBondContact O-N 3.27Å; E669-L671 PolarHBondContact O-N 3.41Å; E669-A672 WeakPolarHBondContact O-CB 3.32Å; E669-A672 PolarHBondContact O-N 3.31Å |
| 670 | C | 88.5 | Confident | 84.5 | Confident | 23 Ų | 23 | 54.6 Ų | 54.6 | 16% | 0.155 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.2 | -27.2 | 176.9 | -69.4 | 0 | 0 | 0 | 0 | 113.4 | N616 P618 F619 D666 M667 | N616-C670 PolarHBondContact ND2-O 3.4Å; N616-C670 VanDerWaalsContact ND2-O 3.11Å; N616-C670 PolarHBondContact OD1-O 2.89Å; P618-C670 HydrophobicContact CB-CB 4.08Å; F619-C670 HydrophobicContact CB-CB 4.03Å; F619-C670 HydrophobicContact CD2-CB 4.24Å; D666-C670 PolarHBondContact O-N 2.96Å; D666-C670 PolarHBondContact O-SG 3.49Å; M667-C670 PolarHBondContact O-N 2.62Å |
| 671 | L | 86.9 | Confident | 84.3 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 6.2 | -177.3 | -67.6 | 169.8 | 0 | 0 | 0 | 113.6 | I571 I574 F619 M667 A668 E669 G673 Y676 A678 L681 | I571-L671 HydrophobicContact CD1-CD1 4.24Å; I574-L671 HydrophobicContact CD1-CD1 3.53Å; F619-L671 HydrophobicContact CB-CD2 4.34Å; F619-L671 HydrophobicContact CD2-CG 4.45Å; F619-L671 HydrophobicContact CG-CD2 4.29Å; M667-L671 WeakPolarHBondContact O-CB 3.38Å; M667-L671 WeakPolarHBondContact O-CG 3.03Å; M667-L671 PolarHBondContact O-N 3.36Å; M667-L671 VanDerWaalsContact O-N 3.14Å; A668-L671 CarbonylContact O-C 3.58Å; A668-L671 PolarHBondContact O-N 2.62Å; E669-L671 PolarHBondContact O-N 3.41Å; L671-G673 PolarHBondContact O-N 3.14Å; L671-Y676 HydrophobicContact CD2-CD2 4.2Å; L671-Y676 HydrophobicContact CD2-CG 4.47Å; L671-A678 HydrophobicContact CB-CB 4.44Å; L671-L681 HydrophobicContact CD1-CD1 3.94Å |
| 672 | A | 79.1 | Confident | 83.7 | Confident | 78 Ų | 78 | 58.4 Ų | 58.4 | 65% | 0.645 | 35% | 0.352 | S | S | * | . | trans | -68.2 | 18.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | A668 E669 | A668-A672 PolarHBondContact O-N 2.99Å; A668-A672 VanDerWaalsContact O-N 3.11Å; E669-A672 WeakPolarHBondContact O-CB 3.32Å; E669-A672 PolarHBondContact O-N 3.31Å | ||
| 673 | G | 71.6 | Confident | 83.3 | Confident | 37 Ų | 37 | 62.8 Ų | 62.8 | 38% | 0.381 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -94.4 | 167.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | L671 G675 | L671-G673 PolarHBondContact O-N 3.14Å; G673-G675 PolarHBondContact O-N 3.02Å; G673-G675 VanDerWaalsContact O-N 3.15Å |
| 674 | P | 58.3 | Low | 82.9 | Confident | 148 Ų | 148 | 63.9 Ų | 63.9 | 96% | 0.961 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | 115.6 | 175.6 | 26.8 | -32 | 0 | 0 | 0 | 109.9 | ||
| 675 | G | 69.8 | Low | 82.9 | Confident | 29 Ų | 29 | 62.5 Ų | 62.5 | 30% | 0.299 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 135.8 | -19.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | E567 G673 | E567-G675 VanDerWaalsContact CB-O 3.26Å; E567-G675 WeakPolarHBondContact CB-O 3.1Å; E567-G675 WeakPolarHBondContact CG-O 3.39Å; E567-G675 VanDerWaalsContact OE2-O 3.06Å; G673-G675 PolarHBondContact O-N 3.02Å; G673-G675 VanDerWaalsContact O-N 3.15Å |
| 676 | Y | 82.6 | Confident | 82.6 | Confident | 59 Ų | 59 | 64.9 Ų | 64.9 | 23% | 0.231 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -130.4 | 134.1 | 176.5 | -67.4 | -75.5 | 0 | 0 | 0 | 110.8 | E567 V570 I571 I614 L671 A678 | E567-Y676 HydrophobicContact CB-CD1 4.24Å; E567-Y676 HydrophobicContact CB-CE1 4.19Å; E567-Y676 HydrophobicContact CG-CE1 4.2Å; V570-Y676 HydrophobicContact CB-CD1 4.41Å; V570-Y676 HydrophobicContact CB-CE1 3.8Å; V570-Y676 HydrophobicContact CG1-CD1 4.09Å; V570-Y676 HydrophobicContact CG1-CE1 3.56Å; V570-Y676 HydrophobicContact CG2-CE1 4.22Å; I571-Y676 HydrophobicContact CD1-CD1 4.22Å; I571-Y676 HydrophobicContact CG1-CD1 4.21Å; I614-Y676 HydrophobicContact CG2-CE2 3.66Å; I614-Y676 VanDerWaalsContact CG2-OH 3.24Å; I614-Y676 WeakPolarHBondContact CG2-OH 2.93Å; L671-Y676 HydrophobicContact CD2-CD2 4.2Å; L671-Y676 HydrophobicContact CD2-CG 4.47Å; Y676-A678 VanDerWaalsContact C-N 3.33Å; Y676-A678 PolarHBondContact O-N 3.18Å |
| 677 | N | 82.4 | Confident | 82.2 | Confident | 84 Ų | 84 | 63.3 Ų | 63.3 | 45% | 0.449 | 37% | 0.371 | S | S | . | . | trans | -82.2 | 82 | 174.9 | -172.6 | -20.2 | 0 | 0 | 0 | 109.7 | E679 R680 | N677-E679 PolarHBondContact O-N 2.92Å; N677-E679 WeakPolarHBondContact OD1-CB 3.31Å; N677-E679 PolarHBondContact OD1-N 3.33Å; N677-R680 PolarHBondContact O-N 2.85Å; N677-R680 PolarHBondContact OD1-N 3.12Å | ||
| 678 | A | 81.7 | Confident | 81.3 | Confident | 16 Ų | 16 | 69.5 Ų | 69.5 | 13% | 0.132 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -62.2 | -25.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | A668 L671 Y676 R680 L681 | A668-A678 HydrophobicContact CB-CB 4.45Å; L671-A678 HydrophobicContact CB-CB 4.44Å; Y676-A678 VanDerWaalsContact C-N 3.33Å; Y676-A678 PolarHBondContact O-N 3.18Å; A678-R680 PolarHBondContact O-N 3.41Å; A678-L681 VanDerWaalsContact O-CB 3.3Å; A678-L681 WeakPolarHBondContact O-CB 3.47Å; A678-L681 PolarHBondContact O-N 3.49Å |
| 679 | E | 81.6 | Confident | 79.9 | Confident | 159 Ų | 159 | 73.6 Ų | 73.6 | 74% | 0.743 | 42% | 0.423 | S | S | * | . | G | 310 helix | trans | -61.3 | -33.8 | 178.4 | -59.7 | 179.9 | 173.5 | 0 | 0 | 111.8 | N677 L681 S682 | N677-E679 PolarHBondContact O-N 2.92Å; N677-E679 WeakPolarHBondContact OD1-CB 3.31Å; N677-E679 PolarHBondContact OD1-N 3.33Å; E679-L681 PolarHBondContact O-N 3.19Å; E679-S682 WeakPolarHBondContact O-CB 3.5Å; E679-S682 PolarHBondContact O-N 2.81Å; E679-S682 VanDerWaalsContact O-N 3.15Å; E679-S682 PolarHBondContact O-OG 3.02Å |
| 680 | R | 85.2 | Confident | 78.2 | Confident | 71 Ų | 71 | 68.7 Ų | 68.7 | 27% | 0.268 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -66.3 | -19 | 177.3 | -73.4 | -174 | 67.5 | -155.3 | -9.3 | 113.8 | I571 D572 R575 N677 A678 S682 I683 | I571-R680 HydrophobicContact CG2-CB 3.98Å; D572-R680 IonicContact OD1-CZ 2.79Å; D572-R680 IonicContact OD1-NH2 3.06Å; D572-R680 PolarHBondContact OD1-NH2 3.48Å; D572-R680 IonicContact OD2-NH1 3.5Å; D572-R680 IonicContact OD2-NH2 3.18Å; D572-R680 PolarHBondContact OD2-NH2 3.4Å; R575-R680 WeakPolarHBondContact CD-O 3.3Å; R575-R680 PolarHBondContact NE-O 3.14Å; N677-R680 PolarHBondContact O-N 2.85Å; N677-R680 PolarHBondContact OD1-N 3.12Å; A678-R680 PolarHBondContact O-N 3.41Å; R680-S682 PolarHBondContact O-N 2.76Å; R680-I683 PolarHBondContact O-N 2.62Å |
| 681 | L | 85.6 | Confident | 76.2 | Confident | 10 Ų | 10 | 73.7 Ų | 73.7 | 5% | 0.052 | 43% | 0.428 | C | S | . | . | G | 310 helix | trans | -65.9 | -25.9 | 174.9 | -66.2 | 169.6 | 0 | 0 | 0 | 112 | I571 I574 R575 T664 A668 L671 A678 E679 I683 | I571-L681 HydrophobicContact CD1-CD1 4.29Å; I571-L681 HydrophobicContact CD1-CD2 4.22Å; I571-L681 HydrophobicContact CD1-CG 4.21Å; I571-L681 HydrophobicContact CG2-CD2 4.03Å; I571-L681 HydrophobicContact CG2-CG 4.31Å; I574-L681 HydrophobicContact CB-CD2 3.93Å; I574-L681 HydrophobicContact CG2-CD2 3.59Å; R575-L681 HydrophobicContact CG-CD2 3.94Å; T664-L681 HydrophobicContact CG2-CB 4.17Å; T664-L681 WeakPolarHBondContact CG2-O 3.28Å; A668-L681 HydrophobicContact CB-CB 4.46Å; A668-L681 HydrophobicContact CB-CD1 4.01Å; L671-L681 HydrophobicContact CD1-CD1 3.94Å; A678-L681 VanDerWaalsContact O-CB 3.3Å; A678-L681 WeakPolarHBondContact O-CB 3.47Å; A678-L681 PolarHBondContact O-N 3.49Å; E679-L681 PolarHBondContact O-N 3.19Å; L681-I683 PolarHBondContact O-N 3.21Å |
| 682 | S | 81.9 | Confident | 74.2 | Confident | 94 Ų | 94 | 77 Ų | 77 | 66% | 0.657 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -68.8 | -16.4 | 175.6 | 70.1 | 0 | 0 | 0 | 0 | 113.6 | E679 R680 P684 | E679-S682 WeakPolarHBondContact O-CB 3.5Å; E679-S682 PolarHBondContact O-N 2.81Å; E679-S682 VanDerWaalsContact O-N 3.15Å; E679-S682 PolarHBondContact O-OG 3.02Å; R680-S682 PolarHBondContact O-N 2.76Å; S682-P684 WeakPolarHBondContact O-CD 3.24Å |
| 683 | I | 85.9 | Confident | 72.5 | Confident | 94 Ų | 94 | 74.7 Ų | 74.7 | 48% | 0.482 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -92.5 | 110.4 | 177.4 | -53.5 | 173.8 | 0 | 0 | 0 | 107.7 | R575 R680 L681 | R575-I683 VanDerWaalsContact CZ-O 3.26Å; R575-I683 PolarHBondContact NE-O 3.24Å; R575-I683 PolarHBondContact NH2-O 3.37Å; R680-I683 PolarHBondContact O-N 2.62Å; L681-I683 PolarHBondContact O-N 3.21Å |
| 684 | P | 84.2 | Confident | 71.1 | Confident | 79 Ų | 79 | 81 Ų | 81 | 51% | 0.513 | 43% | 0.433 | S | S | . | . | trans | -56.9 | 148.3 | 179.1 | -23.9 | 34.7 | 0 | 0 | 0 | 111.7 | R575 S682 | R575-P684 PolarHBondContact NH2-O 3.06Å; R575-P684 VanDerWaalsContact NH2-O 3.09Å; S682-P684 WeakPolarHBondContact O-CD 3.24Å | ||
| 685 | Y | 89.5 | Confident | 70.3 | Confident | 12 Ų | 12 | 79.4 Ų | 79.4 | 5% | 0.047 | 42% | 0.416 | C | S | . | . | trans | -75.7 | 126.6 | 168.8 | 172.1 | -96.9 | 0 | 0 | 0 | 109 | Y533 R534 Y537 L576 A579 P687 | Y533-Y685 HydrophobicContact CD2-CE2 4.29Å; R534-Y685 VanDerWaalsContact CA-OH 3.27Å; R534-Y685 WeakPolarHBondContact CA-OH 3.49Å; R534-Y685 PolarHBondContact N-OH 3.27Å; Y537-Y685 HydrophobicContact CD2-CD1 4.28Å; Y537-Y685 HydrophobicContact CD2-CE1 4.13Å; Y537-Y685 HydrophobicContact CG-CE1 4.21Å; L576-Y685 HydrophobicContact CD1-CD1 4Å; L576-Y685 HydrophobicContact CD1-CE1 3.85Å; A579-Y685 HydrophobicContact CB-CD1 3.98Å; A579-Y685 HydrophobicContact CB-CG 4.45Å; Y685-P687 HydrophobicContact CE1-CB 4.11Å | ||
| 686 | I | 83.4 | Confident | 68.8 | Low | 122 Ų | 122 | 81.9 Ų | 81.9 | 63% | 0.626 | 43% | 0.425 | S | S | * | . | trans | -116.2 | 120.4 | 175.1 | -58.8 | 174 | 0 | 0 | 0 | 107.3 | Q688 | I686-Q688 PolarHBondContact O-N 2.92Š| ||
| 687 | P | 81.3 | Confident | 66.8 | Low | 35 Ų | 35 | 89.8 Ų | 89.8 | 23% | 0.227 | 45% | 0.454 | C | S | . | . | trans | -65.2 | 105.3 | 174.8 | 27.4 | -34 | 0 | 0 | 0 | 109.3 | R534 Y537 Y685 | R534-P687 HydrophobicContact CG-CB 4.29Å; Y537-P687 HydrophobicContact CD1-CB 3.96Å; Y537-P687 HydrophobicContact CD1-CG 3.79Å; Y537-P687 HydrophobicContact CE1-CB 4.35Å; Y537-P687 HydrophobicContact CE1-CG 3.65Å; Y537-P687 HydrophobicContact CG-CB 4.44Å; Y537-P687 HydrophobicContact CG-CG 4.48Å; Y685-P687 HydrophobicContact CE1-CB 4.11Å | ||
| 688 | Q | 70.9 | Confident | 64.5 | Low | 132 Ų | 132 | 96.2 Ų | 96.2 | 62% | 0.617 | 47% | 0.472 | S | S | * | . | P | Polyproline II helix | trans | -71.3 | 135.6 | -179.5 | -67 | -175.1 | -2.9 | 0 | 0 | 111 | R534 I686 T690 | R534-Q688 WeakPolarHBondContact CD-O 3.5Å; R534-Q688 PolarHBondContact NE-O 2.93Å; I686-Q688 PolarHBondContact O-N 2.92Å; Q688-T690 PolarHBondContact O-N 2.6Å |
| 689 | V | 57.7 | Low | 62 | Low | 111 Ų | 111 | 103 Ų | 103 | 67% | 0.673 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -73.3 | 120 | 177 | 179.7 | 0 | 0 | 0 | 0 | 108.9 | D693 | V689-D693 HydrophobicContact CG1-CB 3.63Å; V689-D693 VanDerWaalsContact CG1-OD2 3.31Å; V689-D693 WeakPolarHBondContact CG1-OD2 3.39Å |
| 690 | T | 55 | Low | 59.7 | Low | 49 Ų | 49 | 100.4 Ų | 100.4 | 30% | 0.301 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -88.1 | 153.9 | 169.2 | 45.6 | 0 | 0 | 0 | 0 | 109.8 | Q688 E692 D693 | Q688-T690 PolarHBondContact O-N 2.6Å; T690-E692 PolarHBondContact O-N 3.15Å; T690-D693 PolarHBondContact O-N 2.83Å |
| 691 | D | 45.7 | Very low | 56.9 | Low | 128 Ų | 128 | 106.6 Ų | 106.6 | 68% | 0.684 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.7 | -25.6 | -177.3 | -85.9 | -43.6 | 0 | 0 | 0 | 114.6 | D693 R694 | D691-D693 VanDerWaalsContact C-N 3.31Å; D691-D693 PolarHBondContact O-N 3.01Å; D691-R694 PolarHBondContact O-N 3.36Å; D691-R694 IonicContact OD1-NH1 2.59Å |
| 692 | E | 45.7 | Very low | 54.3 | Low | 69 Ų | 69 | 112 Ų | 112 | 32% | 0.322 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -54.2 | -35.2 | 172.9 | -73.2 | -102.1 | 142.6 | 0 | 0 | 114.5 | S468 T690 R694 L695 | S468-E692 WeakPolarHBondContact CB-OE2 3.42Å; S468-E692 PolarHBondContact OG-OE2 3.11Å; T690-E692 PolarHBondContact O-N 3.15Å; E692-R694 PolarHBondContact O-N 3.35Å; E692-L695 PolarHBondContact O-N 3.01Å; E692-L695 VanDerWaalsContact O-N 3.13Å |
| 693 | D | 42.4 | Very low | 51.9 | Low | 30 Ų | 30 | 114.5 Ų | 114.5 | 16% | 0.16 | 57% | 0.566 | C | S | . | * | H | α-helix | trans | -67.9 | -19.4 | -176.3 | -76.7 | -25.3 | 0 | 0 | 0 | 113.7 | R534 V689 T690 D691 L695 | R534-D693 IonicContact CZ-OD1 3.84Å; R534-D693 IonicContact CZ-OD2 2.98Å; R534-D693 IonicContact NE-OD2 2.83Å; R534-D693 IonicContact NH2-OD1 3.7Å; R534-D693 PolarHBondContact NH2-OD1 2.77Å; R534-D693 IonicContact NH2-OD2 2.77Å; R534-D693 PolarHBondContact NH2-OD2 3.22Å; V689-D693 HydrophobicContact CG1-CB 3.63Å; V689-D693 VanDerWaalsContact CG1-OD2 3.31Å; V689-D693 WeakPolarHBondContact CG1-OD2 3.39Å; T690-D693 PolarHBondContact O-N 2.83Å; D691-D693 VanDerWaalsContact C-N 3.31Å; D691-D693 PolarHBondContact O-N 3.01Å; D693-L695 PolarHBondContact O-N 2.95Å |
| 694 | R | 41.9 | Very low | 49.1 | Very low | 170 Ų | 170 | 116.2 Ų | 116.2 | 64% | 0.642 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -69.2 | -19.7 | 176.7 | -70.7 | 179.4 | 163.9 | 174 | -5.4 | 112 | D691 E692 | D691-R694 PolarHBondContact O-N 3.36Å; D691-R694 IonicContact OD1-NH1 2.59Å; E692-R694 PolarHBondContact O-N 3.35Å |
| 695 | L | 42.1 | Very low | 46.4 | Very low | 115 Ų | 115 | 119.6 Ų | 119.6 | 60% | 0.602 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -96.7 | -31.5 | -173.1 | -63.8 | 169.6 | 0 | 0 | 0 | 113 | E692 D693 | E692-L695 PolarHBondContact O-N 3.01Å; E692-L695 VanDerWaalsContact O-N 3.13Å; D693-L695 PolarHBondContact O-N 2.95Å |
| 696 | T | 38.8 | Very low | 43.4 | Very low | 80 Ų | 80 | 124.2 Ų | 124.2 | 49% | 0.491 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -78.7 | -27.8 | -178.3 | 47.9 | 0 | 0 | 0 | 0 | 113.8 | R698 | T696-R698 VanDerWaalsContact C-N 3.25Å; T696-R698 PolarHBondContact O-N 2.95Å |
| 697 | R | 39.1 | Very low | 40.7 | Very low | 226 Ų | 226 | 125.1 Ų | 125.1 | 85% | 0.853 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -5.1 | 178.4 | -83.6 | -173.2 | 176.5 | -175.5 | -0.4 | 115.5 | K699 | R697-K699 VanDerWaalsContact C-N 3.32Å; R697-K699 PolarHBondContact O-N 3.33Å; R697-K699 VanDerWaalsContact O-N 3.08Å |
| 698 | R | 35.6 | Very low | 38.1 | Very low | 219 Ų | 219 | 132.4 Ų | 132.4 | 83% | 0.826 | 66% | 0.664 | S | S | * | * | trans | -84.3 | 72.9 | 173.4 | -95.1 | -173.9 | 174.7 | 177.1 | -0.6 | 111.3 | T696 | T696-R698 VanDerWaalsContact C-N 3.25Å; T696-R698 PolarHBondContact O-N 2.95Å | ||
| 699 | K | 28.4 | Very low | 36.1 | Very low | 158 Ų | 158 | 131.2 Ų | 131.2 | 69% | 0.687 | 67% | 0.666 | S | S | * | * | trans | -127.9 | 117.5 | 151.9 | -86.4 | -174.8 | 177.4 | 175.6 | 0 | 109.7 | R697 | R697-K699 VanDerWaalsContact C-N 3.32Å; R697-K699 PolarHBondContact O-N 3.33Å; R697-K699 VanDerWaalsContact O-N 3.08Å | ||
| 700 | S | 32.4 | Very low | 34.5 | Very low | 105 Ų | 105 | 133 Ų | 133 | 73% | 0.734 | 67% | 0.672 | S | S | * | * | S | Bend | trans | 66.3 | 89.8 | 163.5 | -171.4 | 0 | 0 | 0 | 0 | 118.1 | ||
| 701 | F | 27.5 | Very low | 33.3 | Very low | 201 Ų | 201 | 137 Ų | 137 | 88% | 0.882 | 69% | 0.69 | S | S | * | * | -174.9 | 153.9 | 111.3 | -107 | -85.8 | 0 | 0 | 0 | 109.3 | |||||
| 702 | V | 30 | Very low | 32.3 | Very low | 124 Ų | 124 | 138.8 Ų | 138.8 | 75% | 0.752 | 70% | 0.696 | S | S | * | * | trans | -51.7 | 146.4 | -171 | 173.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 703 | D | 31.5 | Very low | 31.2 | Very low | 145 Ų | 145 | 139.5 Ų | 139.5 | 78% | 0.775 | 71% | 0.708 | S | S | * | * | trans | 17.8 | 118.5 | 164.3 | -74.7 | -32.8 | 0 | 0 | 0 | 118.7 | ||||
| 704 | T | 28.1 | Very low | 30.4 | Very low | 131 Ų | 131 | 143.2 Ų | 143.2 | 80% | 0.804 | 74% | 0.737 | S | S | * | * | 176.2 | 122.9 | 120.1 | -65.2 | 0 | 0 | 0 | 0 | 108.4 | S706 | T704-S706 PolarHBondContact O-N 3.42Š| |||
| 705 | I | 27.3 | Very low | 29.5 | Very low | 149 Ų | 149 | 140.3 Ų | 140.3 | 76% | 0.764 | 74% | 0.743 | S | S | * | * | trans | -75.1 | 120 | 175.6 | -65.5 | 168.8 | 0 | 0 | 0 | 108.4 | ||||
| 706 | S | 25.9 | Very low | 28.8 | Very low | 110 Ų | 110 | 142.6 Ų | 142.6 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | trans | -141.9 | 109.1 | 162.5 | -74.5 | 0 | 0 | 0 | 0 | 108.5 | T704 | T704-S706 PolarHBondContact O-N 3.42Š| ||
| 707 | L | 27.1 | Very low | 28.6 | Very low | 140 Ų | 140 | 144 Ų | 144 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | trans | -109.3 | 103.1 | 168.3 | -90.5 | 162.4 | 0 | 0 | 0 | 107 | ||||
| 708 | Q | 26.9 | Very low | 27.8 | Very low | 189 Ų | 189 | 140 Ų | 140 | 88% | 0.883 | 76% | 0.761 | S | S | * | * | trans | -85.1 | 134.5 | 155 | -98 | 172 | -28.6 | 0 | 0 | 108.2 | ||||
| 709 | V | 29.1 | Very low | 27.3 | Very low | 106 Ų | 106 | 138.7 Ų | 138.7 | 64% | 0.642 | 76% | 0.761 | S | S | * | * | trans | -115.8 | 128.5 | 174 | 174.9 | 0 | 0 | 0 | 0 | 105.6 | I711 | V709-I711 HydrophobicContact CG1-CG1 4.44Š| ||
| 710 | D | 24.8 | Very low | 27 | Very low | 149 Ų | 149 | 140.1 Ų | 140.1 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | trans | -139.5 | 110.1 | 155.8 | -86.4 | -37 | 0 | 0 | 0 | 104.5 | ||||
| 711 | I | 29.2 | Very low | 27.3 | Very low | 132 Ų | 132 | 140.1 Ų | 140.1 | 68% | 0.677 | 77% | 0.768 | S | S | * | * | 59.2 | 121.4 | 71.8 | -56.5 | 176.6 | 0 | 0 | 0 | 111.8 | V709 | V709-I711 HydrophobicContact CG1-CG1 4.44Š| |||
| 712 | M | 23.7 | Very low | 27.1 | Very low | 167 Ų | 167 | 138.7 Ų | 138.7 | 82% | 0.823 | 76% | 0.764 | S | S | * | * | trans | 174.2 | 111.6 | 132.4 | -90.9 | -174.1 | 89.2 | 0 | 0 | 109 | ||||
| 713 | S | 22.7 | Very low | 27 | Very low | 83 Ų | 83 | 140.3 Ų | 140.3 | 58% | 0.58 | 77% | 0.768 | S | S | * | * | 64.3 | 107.2 | 88.1 | 66.4 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 714 | S | 25.4 | Very low | 26.8 | Very low | 109 Ų | 109 | 137.9 Ų | 137.9 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | 102.6 | 124.9 | 63.3 | 66.3 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 715 | S | 24.6 | Very low | 26.9 | Very low | 109 Ų | 109 | 140.7 Ų | 140.7 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | trans | 167.2 | 114.7 | 141.4 | 38.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 716 | L | 25.8 | Very low | 27.1 | Very low | 162 Ų | 162 | 143 Ų | 143 | 85% | 0.848 | 78% | 0.779 | S | S | * | * | 102.2 | 165.4 | 73.1 | -82.5 | 167.7 | 0 | 0 | 0 | 111.9 | |||||
| 717 | P | 34.9 | Very low | 28 | Very low | 111 Ų | 111 | 143.5 Ų | 143.5 | 72% | 0.721 | 77% | 0.772 | S | S | * | * | -117.9 | 176.8 | -59.9 | 32.2 | -12.2 | 0 | 0 | 0 | 111.1 | |||||
| 718 | D | 22.8 | Very low | 29.1 | Very low | 140 Ų | 140 | 141.5 Ų | 141.5 | 75% | 0.749 | 77% | 0.765 | S | S | * | * | 175.3 | 159.8 | 67 | -163.2 | 14.2 | 0 | 0 | 0 | 113 | |||||
| 719 | K | 24.5 | Very low | 29.7 | Very low | 192 Ų | 192 | 140.9 Ų | 140.9 | 84% | 0.835 | 76% | 0.76 | S | S | * | * | trans | 107.7 | 97.7 | 165.3 | -60.1 | -169.5 | 178.3 | -177.9 | 0 | 120.2 | ||||
| 720 | Q | 23.8 | Very low | 30.5 | Very low | 188 Ų | 188 | 143.3 Ų | 143.3 | 88% | 0.879 | 77% | 0.765 | S | S | * | * | trans | -58.7 | -177.3 | 162.1 | -89.2 | -173 | -21.3 | 0 | 0 | 116.3 | ||||
| 721 | P | 37.1 | Very low | 31.6 | Very low | 106 Ų | 106 | 139.8 Ų | 139.8 | 69% | 0.688 | 75% | 0.748 | S | S | * | * | cis | -129.8 | 171.2 | 5.3 | 29.8 | -5.8 | 0 | 0 | 0 | 113.7 | ||||
| 722 | E | 24 | Very low | 32.3 | Very low | 171 Ų | 171 | 137.8 Ų | 137.8 | 80% | 0.799 | 74% | 0.738 | S | S | * | * | -174.6 | 155.1 | 61 | -85.9 | -173 | 147.6 | 0 | 0 | 113.1 | |||||
| 723 | L | 28.1 | Very low | 33.4 | Very low | 158 Ų | 158 | 137 Ų | 137 | 83% | 0.827 | 73% | 0.73 | S | S | * | * | trans | 78.3 | 123.1 | 147.6 | -70.9 | 156 | 0 | 0 | 0 | 124.6 | ||||
| 724 | A | 27.1 | Very low | 34.5 | Very low | 93 Ų | 93 | 141.7 Ų | 141.7 | 77% | 0.769 | 74% | 0.74 | S | S | * | * | 120.8 | 119.9 | 129.8 | 0 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 725 | E | 30.9 | Very low | 35.5 | Very low | 190 Ų | 190 | 139.9 Ų | 139.9 | 89% | 0.888 | 73% | 0.732 | S | S | * | * | trans | 64.2 | 127 | 153 | -67.1 | -175.6 | 165.4 | 0 | 0 | 122.6 | ||||
| 726 | E | 31.3 | Very low | 36.9 | Very low | 199 Ų | 199 | 140.7 Ų | 140.7 | 93% | 0.93 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 130.4 | -166.1 | -66.2 | 175.5 | 147.4 | 0 | 0 | 114 | ||
| 727 | I | 43.4 | Very low | 37.8 | Very low | 119 Ų | 119 | 138.6 Ų | 138.6 | 61% | 0.61 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -103.6 | 119.9 | 170.9 | -63.5 | 175.8 | 0 | 0 | 0 | 108.3 | T731 | I727-T731 HydrophobicContact CG2-CG2 3.73Š|
| 728 | T | 51.3 | Low | 38.4 | Very low | 98 Ų | 98 | 137.2 Ų | 137.2 | 60% | 0.601 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 152.2 | 179.5 | 41.8 | 0 | 0 | 0 | 0 | 113.2 | E730 T731 L732 | T728-E730 PolarHBondContact O-N 2.81Å; T728-T731 WeakPolarHBondContact O-CA 3.4Å; T728-T731 VanDerWaalsContact O-CB 3.29Å; T728-T731 WeakPolarHBondContact O-CB 3.44Å; T728-T731 PolarHBondContact O-N 3.45Å; T728-T731 PolarHBondContact O-OG1 2.9Å; T728-T731 PolarHBondContact OG1-OG1 2.99Å; T728-T731 VanDerWaalsContact OG1-OG1 3.14Å; T728-L732 PolarHBondContact O-N 3.25Å |
| 729 | F | 40.1 | Very low | 39.6 | Very low | 176 Ų | 176 | 135 Ų | 135 | 77% | 0.772 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -52.4 | -30.9 | -176.9 | -175.4 | -101.9 | 0 | 0 | 0 | 114.4 | L732 K733 | F729-L732 PolarHBondContact O-N 3.36Å; F729-K733 PolarHBondContact O-N 3.44Å |
| 730 | E | 45.3 | Very low | 40.7 | Very low | 158 Ų | 158 | 127.9 Ų | 127.9 | 74% | 0.738 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -72.2 | -32 | 177.8 | -141.1 | 175.6 | -170.8 | 0 | 0 | 112.6 | T728 K733 K734 | T728-E730 PolarHBondContact O-N 2.81Å; E730-K733 PolarHBondContact O-N 3.18Å; E730-K734 PolarHBondContact O-N 3.07Å; E730-K734 VanDerWaalsContact O-N 3.11Å |
| 731 | T | 47.8 | Very low | 42.1 | Very low | 74 Ų | 74 | 124.6 Ų | 124.6 | 45% | 0.454 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -72 | -37.9 | 175.1 | -43 | 0 | 0 | 0 | 0 | 110.8 | I727 T728 K734 A735 | I727-T731 HydrophobicContact CG2-CG2 3.73Å; T728-T731 WeakPolarHBondContact O-CA 3.4Å; T728-T731 VanDerWaalsContact O-CB 3.29Å; T728-T731 WeakPolarHBondContact O-CB 3.44Å; T728-T731 PolarHBondContact O-N 3.45Å; T728-T731 PolarHBondContact O-OG1 2.9Å; T728-T731 PolarHBondContact OG1-OG1 2.99Å; T728-T731 VanDerWaalsContact OG1-OG1 3.14Å; T731-K734 PolarHBondContact O-N 2.99Å; T731-A735 PolarHBondContact O-N 2.87Å |
| 732 | L | 44 | Very low | 42.9 | Very low | 90 Ų | 90 | 125.3 Ų | 125.3 | 47% | 0.471 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -66.1 | -38.3 | 171.8 | -104.6 | 146.4 | 0 | 0 | 0 | 112.2 | T728 F729 A735 I736 | T728-L732 PolarHBondContact O-N 3.25Å; F729-L732 PolarHBondContact O-N 3.36Å; L732-A735 PolarHBondContact O-N 3.25Å; L732-I736 HydrophobicContact CD2-CD1 4.44Å; L732-I736 WeakPolarHBondContact O-CD1 3.42Å; L732-I736 VanDerWaalsContact O-CG1 3.28Å; L732-I736 WeakPolarHBondContact O-CG1 3.44Å; L732-I736 PolarHBondContact O-N 3.06Å; L732-I736 VanDerWaalsContact O-N 3.16Å |
| 733 | K | 45.7 | Very low | 44.4 | Very low | 150 Ų | 150 | 123.6 Ų | 123.6 | 65% | 0.652 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -65.9 | -37 | 175.6 | -168.1 | 176.9 | 179.2 | -177.2 | 0 | 112.5 | F729 E730 | F729-K733 PolarHBondContact O-N 3.44Å; E730-K733 PolarHBondContact O-N 3.18Å |
| 734 | K | 45.8 | Very low | 45.6 | Very low | 182 Ų | 182 | 122.3 Ų | 122.3 | 79% | 0.791 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -70.7 | -28.2 | 172.4 | -94.7 | -177.9 | 175.6 | 175.3 | 0 | 113.7 | E730 T731 | E730-K734 PolarHBondContact O-N 3.07Å; E730-K734 VanDerWaalsContact O-N 3.11Å; T731-K734 PolarHBondContact O-N 2.99Å |
| 735 | A | 47.8 | Very low | 46.9 | Very low | 72 Ų | 72 | 122.3 Ų | 122.3 | 60% | 0.595 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -78.4 | -23 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | T731 L732 | T731-A735 PolarHBondContact O-N 2.87Å; L732-A735 PolarHBondContact O-N 3.25Å |
| 736 | I | 52.6 | Low | 48.6 | Very low | 126 Ų | 126 | 121.4 Ų | 121.4 | 65% | 0.646 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -84.5 | -16.2 | 178.5 | -66 | 165.2 | 0 | 0 | 0 | 112.1 | L732 T738 | L732-I736 HydrophobicContact CD2-CD1 4.44Å; L732-I736 WeakPolarHBondContact O-CD1 3.42Å; L732-I736 VanDerWaalsContact O-CG1 3.28Å; L732-I736 WeakPolarHBondContact O-CG1 3.44Å; L732-I736 PolarHBondContact O-N 3.06Å; L732-I736 VanDerWaalsContact O-N 3.16Å; I736-T738 PolarHBondContact O-N 3.33Å |
| 737 | D | 44.8 | Very low | 50.2 | Low | 117 Ų | 117 | 115.2 Ų | 115.2 | 63% | 0.626 | 59% | 0.586 | S | S | * | * | trans | -82.4 | 62.9 | 177.5 | -138.9 | 5.6 | 0 | 0 | 0 | 110.7 | T739 | D737-T739 PolarHBondContact O-N 3.17Å; D737-T739 PolarHBondContact OD1-OG1 3.39Å | ||
| 738 | T | 47.9 | Very low | 51 | Low | 83 Ų | 83 | 116.1 Ų | 116.1 | 51% | 0.509 | 59% | 0.586 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.9 | -7.2 | -175.8 | 48.4 | 0 | 0 | 0 | 0 | 114.2 | I736 G740 L741 E742 | I736-T738 PolarHBondContact O-N 3.33Å; T738-G740 PolarHBondContact O-N 3.32Å; T738-L741 PolarHBondContact O-N 3.08Å; T738-E742 PolarHBondContact O-N 3.44Å |
| 739 | T | 47.8 | Very low | 51.5 | Low | 92 Ų | 92 | 119.5 Ų | 119.5 | 56% | 0.564 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63.8 | -37.8 | 177.2 | 38 | 0 | 0 | 0 | 0 | 112.5 | D737 E743 | D737-T739 PolarHBondContact O-N 3.17Å; D737-T739 PolarHBondContact OD1-OG1 3.39Å; T739-E743 WeakPolarHBondContact O-CB 3.5Å; T739-E743 PolarHBondContact O-N 3.31Å |
| 740 | G | 47.6 | Very low | 52.9 | Low | 44 Ų | 44 | 117.2 Ų | 117.2 | 45% | 0.454 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -71.6 | -29 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114 | T738 Q744 | T738-G740 PolarHBondContact O-N 3.32Å; G740-Q744 VanDerWaalsContact O-CB 3.26Å; G740-Q744 WeakPolarHBondContact O-CB 3.32Å; G740-Q744 PolarHBondContact O-N 2.66Å |
| 741 | L | 54.1 | Low | 53.9 | Low | 118 Ų | 118 | 114.4 Ų | 114.4 | 62% | 0.618 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -76.9 | -40 | -178.7 | -119.8 | 142.9 | 0 | 0 | 0 | 111.5 | T738 Q744 E745 | T738-L741 PolarHBondContact O-N 3.08Å; L741-Q744 PolarHBondContact O-N 2.88Å; L741-E745 WeakPolarHBondContact O-CB 3.47Å; L741-E745 PolarHBondContact O-N 3.07Å |
| 742 | E | 54.2 | Low | 54.7 | Low | 122 Ų | 122 | 114.7 Ų | 114.7 | 57% | 0.57 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65.9 | -38.5 | 173.2 | -74.1 | -170.3 | 157.2 | 0 | 0 | 112.3 | T738 E745 R746 | T738-E742 PolarHBondContact O-N 3.44Å; E742-E745 PolarHBondContact O-N 2.69Å; E742-R746 VanDerWaalsContact O-CB 3.23Å; E742-R746 WeakPolarHBondContact O-CB 3.08Å; E742-R746 PolarHBondContact O-N 2.95Å |
| 743 | E | 55.4 | Low | 55.6 | Low | 135 Ų | 135 | 116 Ų | 116 | 63% | 0.631 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -70.1 | -37.2 | 177.9 | -160.7 | 158.8 | -148.6 | 0 | 0 | 111.5 | T739 R746 E747 | T739-E743 WeakPolarHBondContact O-CB 3.5Å; T739-E743 PolarHBondContact O-N 3.31Å; E743-R746 PolarHBondContact O-N 2.87Å; E743-E747 VanDerWaalsContact O-CB 3.29Å; E743-E747 WeakPolarHBondContact O-CB 3.45Å; E743-E747 PolarHBondContact O-N 2.84Å |
| 744 | Q | 52.7 | Low | 56.7 | Low | 130 Ų | 130 | 112.2 Ų | 112.2 | 61% | 0.607 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -69.7 | -33.8 | 173.9 | -156.1 | 177.9 | 49.5 | 0 | 0 | 112.5 | G740 L741 K748 | G740-Q744 VanDerWaalsContact O-CB 3.26Å; G740-Q744 WeakPolarHBondContact O-CB 3.32Å; G740-Q744 PolarHBondContact O-N 2.66Å; L741-Q744 PolarHBondContact O-N 2.88Å; Q744-K748 WeakPolarHBondContact O-CB 3.35Å; Q744-K748 PolarHBondContact O-N 3.28Å |
| 745 | E | 54.6 | Low | 57.7 | Low | 94 Ų | 94 | 111 Ų | 111 | 44% | 0.439 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -74 | -37.5 | 174 | -158.6 | -175.6 | 157.4 | 0 | 0 | 111.8 | L741 E742 K748 R749 | L741-E745 WeakPolarHBondContact O-CB 3.47Å; L741-E745 PolarHBondContact O-N 3.07Å; E742-E745 PolarHBondContact O-N 2.69Å; E745-K748 PolarHBondContact O-N 2.95Å; E745-R749 WeakPolarHBondContact O-CB 3.43Å; E745-R749 VanDerWaalsContact O-CG 3.32Å; E745-R749 WeakPolarHBondContact O-CG 3.19Å; E745-R749 PolarHBondContact O-N 3.3Å; E745-R749 IonicContact OE1-CZ 3.43Å; E745-R749 IonicContact OE1-NE 3.14Å; E745-R749 PolarHBondContact OE1-NE 3.38Å; E745-R749 IonicContact OE1-NH2 3.62Å; E745-R749 PolarHBondContact OE1-NH2 2.58Å |
| 746 | R | 66.2 | Low | 58.2 | Low | 171 Ų | 171 | 113.1 Ų | 113.1 | 65% | 0.645 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.4 | -41 | 173.1 | -167.4 | -179.1 | -70.7 | 158.8 | -0.7 | 111.1 | E742 E743 R749 R750 | E742-R746 VanDerWaalsContact O-CB 3.23Å; E742-R746 WeakPolarHBondContact O-CB 3.08Å; E742-R746 PolarHBondContact O-N 2.95Å; E743-R746 PolarHBondContact O-N 2.87Å; R746-R749 PolarHBondContact O-N 3.41Å; R746-R750 WeakPolarHBondContact O-CB 3Å; R746-R750 PolarHBondContact O-N 3.39Å |
| 747 | E | 65.5 | Low | 58.6 | Low | 68 Ų | 68 | 114.3 Ų | 114.3 | 32% | 0.318 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -67.7 | -40 | 174.4 | -178.1 | 55.5 | -155.6 | 0 | 0 | 111.9 | E743 R750 Q751 | E743-E747 VanDerWaalsContact O-CB 3.29Å; E743-E747 WeakPolarHBondContact O-CB 3.45Å; E743-E747 PolarHBondContact O-N 2.84Å; E747-R750 VanDerWaalsContact CD-NH2 3.35Å; E747-R750 WeakPolarHBondContact O-CB 3.42Å; E747-R750 PolarHBondContact O-N 3.2Å; E747-R750 IonicContact OE1-CZ 3.36Å; E747-R750 IonicContact OE1-NE 3.38Å; E747-R750 IonicContact OE1-NH2 3.76Å; E747-R750 PolarHBondContact OE1-NH2 2.9Å; E747-R750 IonicContact OE2-CZ 3.93Å; E747-R750 IonicContact OE2-NE 3.88Å; E747-R750 PolarHBondContact OE2-NE 3.45Å; E747-R750 IonicContact OE2-NH2 3.81Å; E747-R750 PolarHBondContact OE2-NH2 3.49Å; E747-Q751 WeakPolarHBondContact O-CB 3.37Å; E747-Q751 WeakPolarHBondContact O-CG 3.47Å; E747-Q751 PolarHBondContact O-N 3.46Å; E747-Q751 PolarHBondContact OE1-NE2 2.63Å |
| 748 | K | 60.5 | Low | 59.8 | Low | 139 Ų | 139 | 115.9 Ų | 115.9 | 60% | 0.604 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -60.5 | -44.9 | 170.5 | -95.1 | -179.9 | 176.5 | 171.7 | 0 | 112.2 | Q744 E745 R750 Q751 V752 | Q744-K748 WeakPolarHBondContact O-CB 3.35Å; Q744-K748 PolarHBondContact O-N 3.28Å; E745-K748 PolarHBondContact O-N 2.95Å; K748-R750 VanDerWaalsContact C-N 3.31Å; K748-R750 PolarHBondContact O-N 3.33Å; K748-Q751 PolarHBondContact O-N 3.17Å; K748-V752 WeakPolarHBondContact O-CB 3.46Å; K748-V752 VanDerWaalsContact O-CG2 3.24Å; K748-V752 WeakPolarHBondContact O-CG2 3.49Å; K748-V752 PolarHBondContact O-N 3.24Å |
| 749 | R | 60.2 | Low | 60.7 | Low | 168 Ų | 168 | 113.3 Ų | 113.3 | 63% | 0.634 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.9 | -39.9 | 176.6 | -73.8 | 177.5 | -171.3 | -171.3 | 5.6 | 110.9 | E745 R746 V752 M753 | E745-R749 WeakPolarHBondContact O-CB 3.43Å; E745-R749 VanDerWaalsContact O-CG 3.32Å; E745-R749 WeakPolarHBondContact O-CG 3.19Å; E745-R749 PolarHBondContact O-N 3.3Å; E745-R749 IonicContact OE1-CZ 3.43Å; E745-R749 IonicContact OE1-NE 3.14Å; E745-R749 PolarHBondContact OE1-NE 3.38Å; E745-R749 IonicContact OE1-NH2 3.62Å; E745-R749 PolarHBondContact OE1-NH2 2.58Å; R746-R749 PolarHBondContact O-N 3.41Å; R749-V752 PolarHBondContact O-N 3.14Å; R749-M753 WeakPolarHBondContact O-CB 3.46Å; R749-M753 PolarHBondContact O-N 3.32Å |
| 750 | R | 70.9 | Confident | 61.7 | Low | 128 Ų | 128 | 112.5 Ų | 112.5 | 48% | 0.483 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.9 | -47.3 | 174.2 | -165.8 | -179.4 | 73.1 | 84.7 | 1.7 | 111.8 | R746 E747 K748 V752 M753 E754 | R746-R750 WeakPolarHBondContact O-CB 3Å; R746-R750 PolarHBondContact O-N 3.39Å; E747-R750 VanDerWaalsContact CD-NH2 3.35Å; E747-R750 WeakPolarHBondContact O-CB 3.42Å; E747-R750 PolarHBondContact O-N 3.2Å; E747-R750 IonicContact OE1-CZ 3.36Å; E747-R750 IonicContact OE1-NE 3.38Å; E747-R750 IonicContact OE1-NH2 3.76Å; E747-R750 PolarHBondContact OE1-NH2 2.9Å; E747-R750 IonicContact OE2-CZ 3.93Å; E747-R750 IonicContact OE2-NE 3.88Å; E747-R750 PolarHBondContact OE2-NE 3.45Å; E747-R750 IonicContact OE2-NH2 3.81Å; E747-R750 PolarHBondContact OE2-NH2 3.49Å; K748-R750 VanDerWaalsContact C-N 3.31Å; K748-R750 PolarHBondContact O-N 3.33Å; R750-V752 PolarHBondContact O-N 3Å; R750-M753 PolarHBondContact O-N 2.94Å; R750-E754 IonicContact NH1-OE2 3.13Å; R750-E754 WeakPolarHBondContact O-CB 3.26Å; R750-E754 PolarHBondContact O-N 3.42Å |
| 751 | Q | 66.1 | Low | 62.3 | Low | 99 Ų | 99 | 118.3 Ų | 118.3 | 46% | 0.463 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.6 | -36.9 | 178.2 | -72.7 | 175.6 | 17.9 | 0 | 0 | 112.8 | E747 K748 K755 | E747-Q751 WeakPolarHBondContact O-CB 3.37Å; E747-Q751 WeakPolarHBondContact O-CG 3.47Å; E747-Q751 PolarHBondContact O-N 3.46Å; E747-Q751 PolarHBondContact OE1-NE2 2.63Å; K748-Q751 PolarHBondContact O-N 3.17Å; Q751-K755 WeakPolarHBondContact O-CB 3.34Å; Q751-K755 WeakPolarHBondContact O-CG 3.41Å; Q751-K755 PolarHBondContact O-N 3.39Å |
| 752 | V | 64.8 | Low | 63.2 | Low | 80 Ų | 80 | 119.9 Ų | 119.9 | 49% | 0.485 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.5 | -46.6 | 173.8 | 171 | 0 | 0 | 0 | 0 | 110.1 | K748 R749 R750 E754 K755 F756 | K748-V752 WeakPolarHBondContact O-CB 3.46Å; K748-V752 VanDerWaalsContact O-CG2 3.24Å; K748-V752 WeakPolarHBondContact O-CG2 3.49Å; K748-V752 PolarHBondContact O-N 3.24Å; R749-V752 PolarHBondContact O-N 3.14Å; R750-V752 PolarHBondContact O-N 3Å; V752-E754 VanDerWaalsContact C-N 3.34Å; V752-E754 PolarHBondContact O-N 2.97Å; V752-K755 PolarHBondContact O-N 3.44Å; V752-F756 HydrophobicContact CG1-CD2 3.8Å; V752-F756 HydrophobicContact CG1-CE2 3.91Å; V752-F756 WeakPolarHBondContact O-CD2 3.05Å; V752-F756 PolarHBondContact O-N 3.06Å |
| 753 | M | 61.8 | Low | 63.8 | Low | 117 Ų | 117 | 120.1 Ų | 120.1 | 58% | 0.576 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.7 | -38.7 | 179.9 | -155 | 172.9 | 72.9 | 0 | 0 | 111.9 | R749 R750 F756 Q757 | R749-M753 WeakPolarHBondContact O-CB 3.46Å; R749-M753 PolarHBondContact O-N 3.32Å; R750-M753 PolarHBondContact O-N 2.94Å; M753-F756 PolarHBondContact O-N 2.82Å; M753-Q757 WeakPolarHBondContact O-CG 3.14Å; M753-Q757 PolarHBondContact O-N 3.36Å |
| 754 | E | 70.4 | Confident | 64.4 | Low | 71 Ų | 71 | 115.3 Ų | 115.3 | 33% | 0.332 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.7 | -39.3 | 174.4 | -172.4 | 170.2 | -167.8 | 0 | 0 | 112 | R750 V752 Q757 K758 | R750-E754 IonicContact NH1-OE2 3.13Å; R750-E754 WeakPolarHBondContact O-CB 3.26Å; R750-E754 PolarHBondContact O-N 3.42Å; V752-E754 VanDerWaalsContact C-N 3.34Å; V752-E754 PolarHBondContact O-N 2.97Å; E754-Q757 PolarHBondContact O-N 2.86Å; E754-K758 HydrophobicContact CG-CD 3.92Å; E754-K758 WeakPolarHBondContact O-CB 3.4Å; E754-K758 PolarHBondContact O-N 2.89Å; E754-K758 IonicContact OE1-NZ 2.7Å; E754-K758 PolarHBondContact OE1-NZ 3.16Å |
| 755 | K | 65.1 | Low | 65 | Low | 156 Ų | 156 | 111.1 Ų | 111.1 | 68% | 0.678 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.8 | -43.2 | 172 | -84.9 | -172.3 | 174.9 | -170.3 | 0 | 112.2 | Q751 V752 Q757 K758 A759 | Q751-K755 WeakPolarHBondContact O-CB 3.34Å; Q751-K755 WeakPolarHBondContact O-CG 3.41Å; Q751-K755 PolarHBondContact O-N 3.39Å; V752-K755 PolarHBondContact O-N 3.44Å; K755-Q757 VanDerWaalsContact C-N 3.26Å; K755-Q757 PolarHBondContact O-N 3.06Å; K755-K758 PolarHBondContact O-N 2.79Å; K755-A759 WeakPolarHBondContact O-CB 3.31Å; K755-A759 PolarHBondContact O-N 3.08Å |
| 756 | F | 59.8 | Low | 65.8 | Low | 117 Ų | 117 | 109.3 Ų | 109.3 | 51% | 0.513 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.3 | -25.7 | 177 | -90.4 | -85.5 | 0 | 0 | 0 | 113.3 | V752 M753 I764 | V752-F756 HydrophobicContact CG1-CD2 3.8Å; V752-F756 HydrophobicContact CG1-CE2 3.91Å; V752-F756 WeakPolarHBondContact O-CD2 3.05Å; V752-F756 PolarHBondContact O-N 3.06Å; M753-F756 PolarHBondContact O-N 2.82Å; F756-I764 HydrophobicContact CD1-CD1 4.05Å; F756-I764 HydrophobicContact CD1-CG2 3.93Å; F756-I764 HydrophobicContact CE1-CG2 3.37Å; F756-I764 HydrophobicContact CZ-CG2 3.98Å |
| 757 | Q | 60.4 | Low | 66 | Low | 151 Ų | 151 | 106.2 Ų | 106.2 | 71% | 0.706 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -85.5 | -28.5 | 176.5 | -77.8 | -178.5 | -6 | 0 | 0 | 114 | M753 E754 K755 | M753-Q757 WeakPolarHBondContact O-CG 3.14Å; M753-Q757 PolarHBondContact O-N 3.36Å; E754-Q757 PolarHBondContact O-N 2.86Å; K755-Q757 VanDerWaalsContact C-N 3.26Å; K755-Q757 PolarHBondContact O-N 3.06Å |
| 758 | K | 69 | Low | 65.9 | Low | 151 Ų | 151 | 106.1 Ų | 106.1 | 66% | 0.657 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -112.4 | -19.4 | -172.4 | -65.5 | -177.1 | 179.8 | 173.7 | 0 | 115.1 | E754 K755 | E754-K758 HydrophobicContact CG-CD 3.92Å; E754-K758 WeakPolarHBondContact O-CB 3.4Å; E754-K758 PolarHBondContact O-N 2.89Å; E754-K758 IonicContact OE1-NZ 2.7Å; E754-K758 PolarHBondContact OE1-NZ 3.16Å; K755-K758 PolarHBondContact O-N 2.79Å |
| 759 | A | 67.5 | Low | 66.3 | Low | 29 Ų | 29 | 105.9 Ų | 105.9 | 24% | 0.24 | 52% | 0.516 | C | S | . | . | S | Bend | trans | -81.7 | 142.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | K755 I764 | K755-A759 WeakPolarHBondContact O-CB 3.31Å; K755-A759 PolarHBondContact O-N 3.08Å; A759-I764 HydrophobicContact CB-CD1 4.26Å; A759-I764 HydrophobicContact CB-CG1 4.05Å |
| 760 | P | 69.6 | Low | 66.8 | Low | 75 Ų | 75 | 101.4 Ų | 101.4 | 49% | 0.487 | 51% | 0.51 | S | S | . | . | trans | -64.3 | 147.7 | 173.9 | 26.1 | -31.3 | 0 | 0 | 0 | 111.1 | E762 E763 I764 | P760-E762 VanDerWaalsContact C-N 3.27Å; P760-E762 PolarHBondContact O-N 3.44Å; P760-E763 HydrophobicContact CG-CB 4.3Å; P760-E763 PolarHBondContact O-N 3.24Å; P760-I764 PolarHBondContact O-N 3.49Å | ||
| 761 | F | 60.5 | Low | 66.8 | Low | 165 Ų | 165 | 101.3 Ų | 101.3 | 72% | 0.724 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -57.5 | -35.9 | -171.4 | 179.9 | -100.2 | 0 | 0 | 0 | 113.4 | E763 I764 A765 | F761-E763 VanDerWaalsContact C-N 3.28Å; F761-E763 PolarHBondContact O-N 3.34Å; F761-I764 PolarHBondContact O-N 3.25Å; F761-A765 WeakPolarHBondContact O-CB 3.23Å; F761-A765 PolarHBondContact O-N 3.02Å |
| 762 | E | 72.8 | Confident | 66.7 | Low | 151 Ų | 151 | 99 Ų | 99 | 71% | 0.706 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.3 | -34.6 | 177.3 | -73.8 | 104.7 | 179.8 | 0 | 0 | 113.1 | P760 A766 | P760-E762 VanDerWaalsContact C-N 3.27Å; P760-E762 PolarHBondContact O-N 3.44Å; E762-A766 WeakPolarHBondContact O-CB 3.36Å; E762-A766 PolarHBondContact O-N 3.42Å |
| 763 | E | 67 | Low | 67 | Low | 128 Ų | 128 | 99.7 Ų | 99.7 | 60% | 0.598 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -74.4 | -35.7 | -178.9 | -158.1 | -178.8 | -178.5 | 0 | 0 | 111.4 | P760 F761 H767 | P760-E763 HydrophobicContact CG-CB 4.3Å; P760-E763 PolarHBondContact O-N 3.24Å; F761-E763 VanDerWaalsContact C-N 3.28Å; F761-E763 PolarHBondContact O-N 3.34Å; E763-H767 WeakPolarHBondContact O-CB 3.43Å; E763-H767 PolarHBondContact O-N 2.82Å; E763-H767 VanDerWaalsContact O-N 3.14Å |
| 764 | I | 67.4 | Low | 67.5 | Low | 34 Ų | 34 | 100 Ų | 100 | 17% | 0.174 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -68.4 | -43.5 | 174.6 | -60.6 | 175 | 0 | 0 | 0 | 110.2 | F756 A759 P760 F761 H767 C768 | F756-I764 HydrophobicContact CD1-CD1 4.05Å; F756-I764 HydrophobicContact CD1-CG2 3.93Å; F756-I764 HydrophobicContact CE1-CG2 3.37Å; F756-I764 HydrophobicContact CZ-CG2 3.98Å; A759-I764 HydrophobicContact CB-CD1 4.26Å; A759-I764 HydrophobicContact CB-CG1 4.05Å; P760-I764 PolarHBondContact O-N 3.49Å; F761-I764 PolarHBondContact O-N 3.25Å; I764-H767 PolarHBondContact O-N 3.05Å; I764-C768 PolarHBondContact O-N 3.25Å |
| 765 | A | 65.4 | Low | 67.2 | Low | 42 Ų | 42 | 102 Ų | 102 | 35% | 0.347 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.7 | -48.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | F761 H767 C768 E769 | F761-A765 WeakPolarHBondContact O-CB 3.23Å; F761-A765 PolarHBondContact O-N 3.02Å; A765-H767 VanDerWaalsContact C-N 3.3Å; A765-H767 PolarHBondContact O-N 2.85Å; A765-C768 PolarHBondContact O-N 3.25Å; A765-E769 PolarHBondContact O-N 2.88Å |
| 766 | A | 71.1 | Confident | 67.5 | Low | 55 Ų | 55 | 100.9 Ų | 100.9 | 46% | 0.455 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.8 | -37.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E762 E769 S770 | E762-A766 WeakPolarHBondContact O-CB 3.36Å; E762-A766 PolarHBondContact O-N 3.42Å; A766-E769 PolarHBondContact O-N 3.19Å; A766-S770 WeakPolarHBondContact O-CB 3.46Å; A766-S770 PolarHBondContact O-N 2.94Å |
| 767 | H | 69.5 | Low | 68.1 | Low | 106 Ų | 106 | 100.6 Ų | 100.6 | 49% | 0.491 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -71.3 | -36.2 | 176.9 | -179.1 | -92 | 0 | 0 | 0 | 112.8 | E763 I764 A765 K771 | E763-H767 WeakPolarHBondContact O-CB 3.43Å; E763-H767 PolarHBondContact O-N 2.82Å; E763-H767 VanDerWaalsContact O-N 3.14Å; I764-H767 PolarHBondContact O-N 3.05Å; A765-H767 VanDerWaalsContact C-N 3.3Å; A765-H767 PolarHBondContact O-N 2.85Å; H767-K771 VanDerWaalsContact CE1-CE 3.42Å; H767-K771 WeakPolarHBondContact CE1-CE 3.4Å; H767-K771 PolarHBondContact O-N 2.91Å; H767-K771 VanDerWaalsContact O-N 3.1Å |
| 768 | C | 64.9 | Low | 68.4 | Low | 67 Ų | 67 | 101 Ų | 101 | 45% | 0.453 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.2 | -40.8 | 172.2 | -82.5 | 0 | 0 | 0 | 0 | 111.9 | I764 A765 K771 A772 | I764-C768 PolarHBondContact O-N 3.25Å; A765-C768 PolarHBondContact O-N 3.25Å; C768-K771 PolarHBondContact O-N 3.44Å; C768-A772 WeakPolarHBondContact O-CB 3.32Å; C768-A772 PolarHBondContact O-N 2.87Å |
| 769 | E | 68 | Low | 68.2 | Low | 134 Ų | 134 | 97.2 Ų | 97.2 | 63% | 0.626 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65 | -43.6 | 176.5 | -133 | 172.6 | -166.9 | 0 | 0 | 111.6 | A765 A766 K771 A772 N773 | A765-E769 PolarHBondContact O-N 2.88Å; A766-E769 PolarHBondContact O-N 3.19Å; E769-K771 VanDerWaalsContact C-N 3.34Å; E769-K771 PolarHBondContact O-N 3.3Å; E769-A772 PolarHBondContact O-N 3.19Å; E769-N773 WeakPolarHBondContact O-CB 3.47Å; E769-N773 VanDerWaalsContact O-CG 3.24Å; E769-N773 PolarHBondContact O-N 3.34Å; E769-N773 PolarHBondContact O-ND2 3.45Å |
| 770 | S | 71.5 | Confident | 68.4 | Low | 73 Ų | 73 | 98.3 Ų | 98.3 | 51% | 0.51 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.1 | -41.3 | 174.4 | 176.3 | 0 | 0 | 0 | 0 | 112.5 | A766 N773 M774 | A766-S770 WeakPolarHBondContact O-CB 3.46Å; A766-S770 PolarHBondContact O-N 2.94Å; S770-N773 PolarHBondContact O-N 3.41Å; S770-M774 PolarHBondContact O-N 3.02Å |
| 771 | K | 69.4 | Low | 68.3 | Low | 126 Ų | 126 | 99.8 Ų | 99.8 | 55% | 0.548 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.1 | -38.6 | 175.1 | -84 | -172.1 | 172.4 | -176.2 | 0 | 112.8 | H767 C768 E769 N773 M774 L775 | H767-K771 VanDerWaalsContact CE1-CE 3.42Å; H767-K771 WeakPolarHBondContact CE1-CE 3.4Å; H767-K771 PolarHBondContact O-N 2.91Å; H767-K771 VanDerWaalsContact O-N 3.1Å; C768-K771 PolarHBondContact O-N 3.44Å; E769-K771 VanDerWaalsContact C-N 3.34Å; E769-K771 PolarHBondContact O-N 3.3Å; K771-N773 VanDerWaalsContact C-N 3.32Å; K771-M774 PolarHBondContact O-N 3.17Å; K771-L775 WeakPolarHBondContact O-CB 3.28Å; K771-L775 PolarHBondContact O-N 3.03Å |
| 772 | A | 64.8 | Low | 68.7 | Low | 50 Ų | 50 | 96.4 Ų | 96.4 | 41% | 0.413 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63 | -42 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | C768 E769 L775 H776 | C768-A772 WeakPolarHBondContact O-CB 3.32Å; C768-A772 PolarHBondContact O-N 2.87Å; E769-A772 PolarHBondContact O-N 3.19Å; A772-L775 WeakPolarHBondContact O-CB 3.5Å; A772-L775 PolarHBondContact O-N 3Å; A772-H776 PolarHBondContact O-N 2.96Å |
| 773 | N | 70.9 | Confident | 68 | Low | 95 Ų | 95 | 95.2 Ų | 95.2 | 51% | 0.508 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.3 | -44.1 | 176 | -68.3 | -17.7 | 0 | 0 | 0 | 111.9 | E769 S770 K771 L775 H776 D777 | E769-N773 WeakPolarHBondContact O-CB 3.47Å; E769-N773 VanDerWaalsContact O-CG 3.24Å; E769-N773 PolarHBondContact O-N 3.34Å; E769-N773 PolarHBondContact O-ND2 3.45Å; S770-N773 PolarHBondContact O-N 3.41Å; K771-N773 VanDerWaalsContact C-N 3.32Å; N773-L775 VanDerWaalsContact C-N 3.31Å; N773-L775 PolarHBondContact O-N 3.28Å; N773-H776 WeakPolarHBondContact O-CB 3.46Å; N773-H776 PolarHBondContact O-N 3.19Å; N773-H776 VanDerWaalsContact O-N 3.16Å; N773-D777 PolarHBondContact O-N 3.13Å |
| 774 | M | 72.2 | Confident | 68 | Low | 123 Ų | 123 | 95.5 Ų | 95.5 | 61% | 0.606 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.9 | -38 | 173.9 | -105.3 | -130.4 | -57.6 | 0 | 0 | 113.2 | S770 K771 D777 R778 | S770-M774 PolarHBondContact O-N 3.02Å; K771-M774 PolarHBondContact O-N 3.17Å; M774-D777 PolarHBondContact O-N 3.29Å; M774-R778 WeakPolarHBondContact O-CB 3.41Å; M774-R778 WeakPolarHBondContact O-CG 3.45Å; M774-R778 PolarHBondContact O-N 3.45Å |
| 775 | L | 64.7 | Low | 67.7 | Low | 113 Ų | 113 | 100.4 Ų | 100.4 | 59% | 0.592 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.6 | -41.7 | 175.9 | -169.1 | 83.8 | 0 | 0 | 0 | 110.5 | K771 A772 N773 R778 L779 | K771-L775 WeakPolarHBondContact O-CB 3.28Å; K771-L775 PolarHBondContact O-N 3.03Å; A772-L775 WeakPolarHBondContact O-CB 3.5Å; A772-L775 PolarHBondContact O-N 3Å; N773-L775 VanDerWaalsContact C-N 3.31Å; N773-L775 PolarHBondContact O-N 3.28Å; L775-R778 PolarHBondContact O-N 2.72Å; L775-L779 HydrophobicContact CD2-CD1 4.37Å; L775-L779 HydrophobicContact CG-CD1 4.18Å; L775-L779 WeakPolarHBondContact O-CB 3.09Å; L775-L779 WeakPolarHBondContact O-CG 3.38Å; L775-L779 PolarHBondContact O-N 3.33Å |
| 776 | H | 70.9 | Confident | 67 | Low | 134 Ų | 134 | 103.3 Ų | 103.3 | 62% | 0.62 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.7 | -44.3 | 173.9 | -104.9 | 38.8 | 0 | 0 | 0 | 112.1 | A772 N773 R778 L779 A780 | A772-H776 PolarHBondContact O-N 2.96Å; N773-H776 WeakPolarHBondContact O-CB 3.46Å; N773-H776 PolarHBondContact O-N 3.19Å; N773-H776 VanDerWaalsContact O-N 3.16Å; H776-R778 VanDerWaalsContact C-N 3.33Å; H776-R778 PolarHBondContact O-N 3.41Å; H776-L779 PolarHBondContact O-N 3.46Å; H776-A780 WeakPolarHBondContact O-CB 3.29Å; H776-A780 PolarHBondContact O-N 3.47Å |
| 777 | D | 73.3 | Confident | 66.1 | Low | 111 Ų | 111 | 107 Ų | 107 | 59% | 0.594 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -63.8 | -38.7 | 177 | -71.5 | -20.8 | 0 | 0 | 0 | 111.9 | N773 M774 A780 Q781 | N773-D777 PolarHBondContact O-N 3.13Å; M774-D777 PolarHBondContact O-N 3.29Å; D777-A780 PolarHBondContact O-N 3.48Å; D777-Q781 PolarHBondContact O-N 2.97Å |
| 778 | R | 66.4 | Low | 64.9 | Low | 160 Ų | 160 | 111.3 Ų | 111.3 | 60% | 0.604 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -67.5 | -42 | 174.6 | -79 | -69 | -170.9 | 178.7 | 3.2 | 112.3 | M774 L775 H776 A780 Q781 I782 | M774-R778 WeakPolarHBondContact O-CB 3.41Å; M774-R778 WeakPolarHBondContact O-CG 3.45Å; M774-R778 PolarHBondContact O-N 3.45Å; L775-R778 PolarHBondContact O-N 2.72Å; H776-R778 VanDerWaalsContact C-N 3.33Å; H776-R778 PolarHBondContact O-N 3.41Å; R778-A780 VanDerWaalsContact C-N 3.34Å; R778-Q781 PolarHBondContact O-N 3.15Å; R778-I782 VanDerWaalsContact O-CG1 3.26Å; R778-I782 WeakPolarHBondContact O-CG1 3.49Å; R778-I782 PolarHBondContact O-N 3.4Å |
| 779 | L | 65.5 | Low | 63.8 | Low | 70 Ų | 70 | 113.4 Ų | 113.4 | 37% | 0.366 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.7 | -40.4 | 174.7 | -79.3 | 165 | 0 | 0 | 0 | 111 | L775 H776 I782 F783 | L775-L779 HydrophobicContact CD2-CD1 4.37Å; L775-L779 HydrophobicContact CG-CD1 4.18Å; L775-L779 WeakPolarHBondContact O-CB 3.09Å; L775-L779 WeakPolarHBondContact O-CG 3.38Å; L775-L779 PolarHBondContact O-N 3.33Å; H776-L779 PolarHBondContact O-N 3.46Å; L779-I782 PolarHBondContact O-N 3.1Å; L779-F783 HydrophobicContact CB-CE2 4.45Å; L779-F783 WeakPolarHBondContact O-CD2 3.37Å; L779-F783 PolarHBondContact O-N 3.48Å |
| 780 | A | 71.4 | Confident | 62.4 | Low | 53 Ų | 53 | 112.4 Ų | 112.4 | 44% | 0.438 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -61.9 | -42.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | H776 D777 R778 I782 F783 E784 | H776-A780 WeakPolarHBondContact O-CB 3.29Å; H776-A780 PolarHBondContact O-N 3.47Å; D777-A780 PolarHBondContact O-N 3.48Å; R778-A780 VanDerWaalsContact C-N 3.34Å; A780-I782 VanDerWaalsContact C-N 3.35Å; A780-I782 PolarHBondContact O-N 3.14Å; A780-F783 PolarHBondContact O-N 3Å; A780-E784 PolarHBondContact O-N 3.18Å |
| 781 | Q | 66.3 | Low | 60.8 | Low | 106 Ų | 106 | 115 Ų | 115 | 50% | 0.495 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -61 | -41.3 | 171.8 | -90.9 | -176.3 | -1.8 | 0 | 0 | 112.8 | D777 R778 E784 L785 | D777-Q781 PolarHBondContact O-N 2.97Å; R778-Q781 PolarHBondContact O-N 3.15Å; Q781-E784 PolarHBondContact O-N 3.17Å; Q781-L785 WeakPolarHBondContact O-CB 3.22Å; Q781-L785 WeakPolarHBondContact O-CG 3.49Å; Q781-L785 PolarHBondContact O-N 3.03Å |
| 782 | I | 68.8 | Low | 59.2 | Low | 93 Ų | 93 | 114.5 Ų | 114.5 | 48% | 0.477 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -65.9 | -42.3 | 177.7 | -69.1 | 165 | 0 | 0 | 0 | 110.2 | R778 L779 A780 L785 T786 | R778-I782 VanDerWaalsContact O-CG1 3.26Å; R778-I782 WeakPolarHBondContact O-CG1 3.49Å; R778-I782 PolarHBondContact O-N 3.4Å; L779-I782 PolarHBondContact O-N 3.1Å; A780-I782 VanDerWaalsContact C-N 3.35Å; A780-I782 PolarHBondContact O-N 3.14Å; I782-L785 PolarHBondContact O-N 3.15Å; I782-T786 WeakPolarHBondContact O-CB 3.5Å; I782-T786 PolarHBondContact O-N 3.37Å; I782-T786 PolarHBondContact O-OG1 2.95Å |
| 783 | F | 58.1 | Low | 57.7 | Low | 127 Ų | 127 | 118 Ų | 118 | 56% | 0.557 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -64.8 | -40.2 | 175.6 | -77.2 | -59.6 | 0 | 0 | 0 | 112.1 | L779 A780 L785 T786 I787 | L779-F783 HydrophobicContact CB-CE2 4.45Å; L779-F783 WeakPolarHBondContact O-CD2 3.37Å; L779-F783 PolarHBondContact O-N 3.48Å; A780-F783 PolarHBondContact O-N 3Å; F783-L785 VanDerWaalsContact C-N 3.32Å; F783-L785 PolarHBondContact O-N 2.9Å; F783-T786 PolarHBondContact O-N 3.19Å; F783-T786 VanDerWaalsContact O-N 3.16Å; F783-I787 HydrophobicContact CB-CD1 4.44Å; F783-I787 WeakPolarHBondContact O-CB 3.22Å; F783-I787 WeakPolarHBondContact O-CD1 2.94Å; F783-I787 WeakPolarHBondContact O-CG1 3.48Å; F783-I787 PolarHBondContact O-N 2.73Å |
| 784 | E | 67.6 | Low | 55.9 | Low | 134 Ų | 134 | 119.3 Ų | 119.3 | 63% | 0.626 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -61.8 | -37.7 | 172.4 | -83.1 | -150.6 | 154.9 | 0 | 0 | 113 | A780 Q781 T786 | A780-E784 PolarHBondContact O-N 3.18Å; Q781-E784 PolarHBondContact O-N 3.17Å; E784-T786 VanDerWaalsContact C-N 3.29Å; E784-T786 PolarHBondContact O-N 2.92Å |
| 785 | L | 60.4 | Low | 53.9 | Low | 136 Ų | 136 | 117 Ų | 117 | 71% | 0.712 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -69.9 | -26.9 | 176.1 | -76 | 164.4 | 0 | 0 | 0 | 112.6 | Q781 I782 F783 | Q781-L785 WeakPolarHBondContact O-CB 3.22Å; Q781-L785 WeakPolarHBondContact O-CG 3.49Å; Q781-L785 PolarHBondContact O-N 3.03Å; I782-L785 PolarHBondContact O-N 3.15Å; F783-L785 VanDerWaalsContact C-N 3.32Å; F783-L785 PolarHBondContact O-N 2.9Å |
| 786 | T | 51.2 | Low | 52.3 | Low | 104 Ų | 104 | 118.7 Ų | 118.7 | 64% | 0.638 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -89.7 | -22.4 | -177.1 | -43.6 | 0 | 0 | 0 | 0 | 112.6 | I782 F783 E784 | I782-T786 WeakPolarHBondContact O-CB 3.5Å; I782-T786 PolarHBondContact O-N 3.37Å; I782-T786 PolarHBondContact O-OG1 2.95Å; F783-T786 PolarHBondContact O-N 3.19Å; F783-T786 VanDerWaalsContact O-N 3.16Å; E784-T786 VanDerWaalsContact C-N 3.29Å; E784-T786 PolarHBondContact O-N 2.92Å |
| 787 | I | 52.8 | Low | 50.5 | Low | 131 Ų | 131 | 118 Ų | 118 | 67% | 0.672 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -89.7 | -7.6 | -178.4 | -62.6 | 164.2 | 0 | 0 | 0 | 112.6 | F783 P789 | F783-I787 HydrophobicContact CB-CD1 4.44Å; F783-I787 WeakPolarHBondContact O-CB 3.22Å; F783-I787 WeakPolarHBondContact O-CD1 2.94Å; F783-I787 WeakPolarHBondContact O-CG1 3.48Å; F783-I787 PolarHBondContact O-N 2.73Å; I787-P789 WeakPolarHBondContact O-CD 3.11Å |
| 788 | R | 43.7 | Very low | 48.3 | Very low | 197 Ų | 197 | 118.5 Ų | 118.5 | 74% | 0.743 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -81.2 | 118.5 | 172.9 | -77.2 | -173.1 | -178 | 176.3 | 3.9 | 111.3 | ||
| 789 | P | 42.6 | Very low | 46.8 | Very low | 111 Ų | 111 | 118.4 Ų | 118.4 | 72% | 0.721 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 148.4 | 169.8 | 27.4 | -30.6 | 0 | 0 | 0 | 110.2 | I787 | I787-P789 WeakPolarHBondContact O-CD 3.11Š|
| 790 | P | 37.6 | Very low | 45 | Very low | 114 Ų | 114 | 120.4 Ų | 120.4 | 74% | 0.74 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 150.7 | -178.7 | 27.3 | -33.2 | 0 | 0 | 0 | 111.2 | S792 | P790-S792 PolarHBondContact O-N 3.18Š|
| 791 | P | 38.7 | Very low | 43.1 | Very low | 127 Ų | 127 | 123 Ų | 123 | 83% | 0.825 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 124.2 | 176.7 | 28.6 | -31.5 | 0 | 0 | 0 | 110.2 | ||
| 792 | S | 34.5 | Very low | 41.4 | Very low | 116 Ų | 116 | 121.6 Ų | 121.6 | 81% | 0.811 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 134.4 | 174.2 | -57.5 | 0 | 0 | 0 | 0 | 111.4 | P790 | P790-S792 PolarHBondContact O-N 3.18Š|
| 793 | P | 34.8 | Very low | 39.8 | Very low | 123 Ų | 123 | 126.2 Ų | 126.2 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | trans | -86.6 | 110.6 | 173.8 | 32.1 | -28.2 | 0 | 0 | 0 | 110.1 | ||||
| 794 | S | 32.5 | Very low | 38.4 | Very low | 122 Ų | 122 | 126 Ų | 126 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | trans | 159.7 | 131.7 | 147.6 | -73.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 795 | G | 30.3 | Very low | 36.8 | Very low | 74 Ų | 74 | 128.6 Ų | 128.6 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | trans | -57.4 | 175.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 796 | V | 30 | Very low | 35.4 | Very low | 150 Ų | 150 | 130 Ų | 130 | 91% | 0.909 | 79% | 0.79 | S | S | * | * | cis | -152.9 | 153.6 | 37.5 | 175.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 797 | V | 33.2 | Very low | 34.5 | Very low | 118 Ų | 118 | 130.7 Ų | 130.7 | 72% | 0.715 | 80% | 0.796 | S | S | * | * | trans | -53.9 | 138.8 | 178.1 | 176.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 798 | S | 27.7 | Very low | 33.6 | Very low | 123 Ų | 123 | 130.1 Ų | 130.1 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | -166.4 | 136.1 | 135.4 | -81.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 799 | I | 35.1 | Very low | 33.2 | Very low | 157 Ų | 157 | 126.5 Ų | 126.5 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | trans | -83.3 | 136.4 | -174.5 | -65.6 | 160.4 | 0 | 0 | 0 | 110.5 | ||||
| 800 | S | 28.2 | Very low | 32.9 | Very low | 112 Ų | 112 | 126.5 Ų | 126.5 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | trans | 178.3 | 125.8 | 132.3 | 42.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 801 | A | 31.3 | Very low | 33 | Very low | 109 Ų | 109 | 128 Ų | 128 | 90% | 0.901 | 81% | 0.81 | S | S | * | * | trans | 50.5 | 125 | 139.6 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 802 | G | 30.7 | Very low | 32.9 | Very low | 76 Ų | 76 | 132.6 Ų | 132.6 | 78% | 0.784 | 81% | 0.813 | S | S | * | * | trans | 131.7 | 107.6 | 142.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 803 | H | 34.8 | Very low | 32.9 | Very low | 190 Ų | 190 | 135.4 Ų | 135.4 | 88% | 0.88 | 81% | 0.813 | S | S | * | * | trans | -59.6 | 135.1 | 163.8 | -88.6 | 48.6 | 0 | 0 | 0 | 111.2 | ||||
| 804 | T | 28.9 | Very low | 32.8 | Very low | 121 Ų | 121 | 137.9 Ų | 137.9 | 74% | 0.742 | 82% | 0.816 | S | S | * | * | trans | -155.4 | 124.5 | 143.4 | 18.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 805 | Q | 34.6 | Very low | 32.8 | Very low | 189 Ų | 189 | 141.6 Ų | 141.6 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | trans | -70.8 | 132.8 | 172.1 | -69 | 170.1 | -21.8 | 0 | 0 | 109.4 | ||||
| 806 | H | 30.1 | Very low | 33 | Very low | 167 Ų | 167 | 147.8 Ų | 147.8 | 77% | 0.773 | 82% | 0.823 | S | S | * | * | trans | -126.7 | 132.2 | 160.9 | -77.4 | -62.8 | 0 | 0 | 0 | 110.3 | ||||
| 807 | P | 33.4 | Very low | 33.3 | Very low | 117 Ų | 117 | 146.2 Ų | 146.2 | 76% | 0.76 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 144.6 | -175.7 | 29.5 | -32.6 | 0 | 0 | 0 | 111.9 | ||
| 808 | S | 33.5 | Very low | 33.2 | Very low | 119 Ų | 119 | 148.2 Ų | 148.2 | 83% | 0.832 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 127.4 | 176.3 | 40.2 | 0 | 0 | 0 | 0 | 111.9 | ||
| 809 | V | 35.2 | Very low | 33.4 | Very low | 122 Ų | 122 | 150.8 Ų | 150.8 | 74% | 0.739 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 132.7 | 170.2 | -179.6 | 0 | 0 | 0 | 0 | 108.8 | ||
| 810 | P | 36.3 | Very low | 33.1 | Very low | 110 Ų | 110 | 148.6 Ų | 148.6 | 71% | 0.714 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 149.1 | 179.6 | -18.2 | 30.7 | 0 | 0 | 0 | 114.1 | Y812 | P810-Y812 PolarHBondContact O-N 2.72Š|
| 811 | V | 38.9 | Very low | 33.2 | Very low | 146 Ų | 146 | 149 Ų | 149 | 89% | 0.885 | 82% | 0.821 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | 13.4 | -166.1 | 178.7 | 0 | 0 | 0 | 0 | 115.8 | ||
| 812 | Y | 36.4 | Very low | 33.2 | Very low | 224 Ų | 224 | 158 Ų | 158 | 88% | 0.878 | 83% | 0.834 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | 9.7 | -177.4 | -152 | -99.8 | 0 | 0 | 0 | 115.7 | P810 | P810-Y812 PolarHBondContact O-N 2.72Š|
| 813 | E | 34.9 | Very low | 33.3 | Very low | 174 Ų | 174 | 162.1 Ų | 162.1 | 81% | 0.813 | 84% | 0.836 | S | S | * | * | trans | -122.8 | 76 | 171.7 | -73.2 | -170.4 | 160.5 | 0 | 0 | 111.6 | ||||
| 814 | M | 33.6 | Very low | 33.2 | Very low | 176 Ų | 176 | 160.6 Ų | 160.6 | 87% | 0.867 | 83% | 0.834 | S | S | * | * | trans | -125.2 | 100.4 | 156.7 | -81.1 | -171.9 | 67.7 | 0 | 0 | 109.4 | ||||
| 815 | K | 32.6 | Very low | 33.5 | Very low | 199 Ų | 199 | 162.8 Ų | 162.8 | 87% | 0.865 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 129 | 167.7 | -69.4 | 178.4 | 176.5 | 177.8 | 0 | 109 | P817 | K815-P817 WeakPolarHBondContact O-CD 3.47Š|
| 816 | F | 33 | Very low | 33.4 | Very low | 204 Ų | 204 | 161.3 Ų | 161.3 | 90% | 0.895 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 130.3 | 168.6 | -75.9 | -93.6 | 0 | 0 | 0 | 110.4 | ||
| 817 | P | 37.2 | Very low | 33.6 | Very low | 118 Ų | 118 | 160.9 Ų | 160.9 | 77% | 0.766 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 127 | 164.6 | -5.6 | 24.8 | 0 | 0 | 0 | 110.9 | K815 L819 | K815-P817 WeakPolarHBondContact O-CD 3.47Å; P817-L819 PolarHBondContact O-N 3.45Å |
| 818 | D | 31.2 | Very low | 33.6 | Very low | 160 Ų | 160 | 163.9 Ų | 163.9 | 86% | 0.856 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 126.6 | 168.1 | -63 | -56.6 | 0 | 0 | 0 | 112.2 | ||
| 819 | L | 30.8 | Very low | 33.6 | Very low | 176 Ų | 176 | 167.1 Ų | 167.1 | 92% | 0.921 | 85% | 0.847 | S | S | * | * | trans | -103.6 | 107.8 | 160.4 | -85.7 | 159.1 | 0 | 0 | 0 | 107.7 | P817 | P817-L819 PolarHBondContact O-N 3.45Š| ||
| 820 | C | 30.5 | Very low | 33.5 | Very low | 111 Ų | 111 | 170.5 Ų | 170.5 | 75% | 0.75 | 86% | 0.855 | S | S | * | * | trans | -113.1 | 154.1 | 159.6 | -84.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 821 | V | 28.9 | Very low | 33.3 | Very low | 122 Ų | 122 | 175.6 Ų | 175.6 | 74% | 0.739 | 87% | 0.867 | S | S | * | * | trans | 92.3 | 111.2 | 165.8 | -166.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 822 | Y | 31.7 | Very low | 32.8 | Very low | 297 Ų | 297 | 178.3 Ų | 178.3 | 100% | 1.165 | 87% | 0.865 | S | S | * | * | cis | -129.8 | 0 | 20.9 | -100.9 | -83.6 | 0 | 0 | 0 | 112.9 |
Retrieved 822 of 822 residues in 2305.7 ms
(Link to these results)