| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 52.5 | Low | 73.5 | Confident | 149 Ų | 149 | 89.2 Ų | 89.2 | 73% | 0.734 | 43% | 0.427 | S | S | * | . | 0 | 143.6 | 0 | -81.7 | -166.1 | -68.3 | 0 | 0 | 107 | E3 R9 | M1-E3 PolarHBondContact O-N 3.2Å; M1-R9 PolarHBondContact SD-NH1 3.22Å | |||
| 2 | D | 71 | Confident | 74.3 | Confident | 126 Ų | 126 | 82.2 Ų | 82.2 | 67% | 0.674 | 39% | 0.394 | S | S | * | . | trans | -63 | 126.6 | 175.7 | -75.8 | -19.1 | 0 | 0 | 0 | 109.3 | K4 E5 E6 | D2-K4 PolarHBondContact O-N 3.17Å; D2-E5 HydrophobicContact CB-CB 4.38Å; D2-E5 WeakPolarHBondContact O-CA 3.17Å; D2-E5 WeakPolarHBondContact O-CB 3.32Å; D2-E5 PolarHBondContact O-N 3.44Å; D2-E6 PolarHBondContact O-N 3.08Å | ||
| 3 | E | 69.9 | Low | 74.9 | Confident | 175 Ų | 175 | 89.4 Ų | 89.4 | 82% | 0.818 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -48.8 | -34.8 | -179.3 | -66.6 | 177 | 164.2 | 0 | 0 | 112.6 | M1 E5 E6 L7 | M1-E3 PolarHBondContact O-N 3.2Å; E3-E5 PolarHBondContact O-N 2.85Å; E3-E6 PolarHBondContact O-N 3.49Å; E3-L7 WeakPolarHBondContact O-CB 3.45Å; E3-L7 PolarHBondContact O-N 2.97Å |
| 4 | K | 68.9 | Low | 75.4 | Confident | 173 Ų | 173 | 87.1 Ų | 87.1 | 75% | 0.752 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -64.8 | -37 | 176.7 | -68.4 | -177.6 | 179.7 | 175.4 | 0 | 113.4 | D2 S8 | D2-K4 PolarHBondContact O-N 3.17Å; K4-S8 WeakPolarHBondContact O-CB 3.24Å; K4-S8 PolarHBondContact O-N 3.03Å; K4-S8 PolarHBondContact O-OG 2.83Å |
| 5 | E | 72.1 | Confident | 76.1 | Confident | 74 Ų | 74 | 81.3 Ų | 81.3 | 35% | 0.346 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -71.9 | -40.7 | 178.7 | -169.1 | 178.2 | -176 | 0 | 0 | 110.5 | D2 E3 S8 R9 | D2-E5 HydrophobicContact CB-CB 4.38Å; D2-E5 WeakPolarHBondContact O-CA 3.17Å; D2-E5 WeakPolarHBondContact O-CB 3.32Å; D2-E5 PolarHBondContact O-N 3.44Å; E3-E5 PolarHBondContact O-N 2.85Å; E5-S8 PolarHBondContact O-N 3.29Å; E5-R9 WeakPolarHBondContact O-CB 3.36Å; E5-R9 VanDerWaalsContact O-CG 3.24Å; E5-R9 WeakPolarHBondContact O-CG 2.93Å; E5-R9 PolarHBondContact O-N 2.8Å; E5-R9 IonicContact OE1-CZ 3.85Å; E5-R9 IonicContact OE1-NE 3.45Å; E5-R9 PolarHBondContact OE1-NE 3.09Å; E5-R9 IonicContact OE1-NH2 2.57Å; E5-R9 PolarHBondContact OE1-NH2 3.4Å |
| 6 | E | 77.9 | Confident | 76.4 | Confident | 115 Ų | 115 | 80.3 Ų | 80.3 | 54% | 0.537 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.2 | -43.7 | 176.1 | -173.1 | 160.8 | -163.6 | 0 | 0 | 112 | D2 E3 R9 S10 | D2-E6 PolarHBondContact O-N 3.08Å; E3-E6 PolarHBondContact O-N 3.49Å; E6-R9 PolarHBondContact O-N 3.35Å; E6-S10 WeakPolarHBondContact O-CB 3.35Å; E6-S10 PolarHBondContact O-N 3.03Å |
| 7 | L | 77.1 | Confident | 76.5 | Confident | 47 Ų | 47 | 79 Ų | 79 | 25% | 0.246 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -59.7 | -47.1 | 173.5 | 179.5 | 60.7 | 0 | 0 | 0 | 111.8 | E3 R9 S10 I11 F117 E121 | E3-L7 WeakPolarHBondContact O-CB 3.45Å; E3-L7 PolarHBondContact O-N 2.97Å; L7-R9 PolarHBondContact O-N 3.22Å; L7-S10 WeakPolarHBondContact O-CB 2.95Å; L7-S10 PolarHBondContact O-N 2.87Å; L7-I11 HydrophobicContact CD1-CD1 3.85Å; L7-I11 HydrophobicContact CD1-CG1 4.25Å; L7-I11 HydrophobicContact CG-CD1 3.85Å; L7-I11 WeakPolarHBondContact O-CG1 3.41Å; L7-I11 PolarHBondContact O-N 3.27Å; L7-F117 HydrophobicContact CD2-CB 4.26Å; L7-E121 HydrophobicContact CD1-CB 4.23Å; L7-E121 VanDerWaalsContact CD1-CD 3.45Å; L7-E121 HydrophobicContact CD1-CG 4.13Å; L7-E121 WeakPolarHBondContact CD1-OE2 3.32Å |
| 8 | S | 77.6 | Confident | 76.7 | Confident | 13 Ų | 13 | 75.7 Ų | 75.7 | 9% | 0.091 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.6 | -43.9 | 178.5 | -59.6 | 0 | 0 | 0 | 0 | 111.4 | K4 E5 I11 V12 | K4-S8 WeakPolarHBondContact O-CB 3.24Å; K4-S8 PolarHBondContact O-N 3.03Å; K4-S8 PolarHBondContact O-OG 2.83Å; E5-S8 PolarHBondContact O-N 3.29Å; S8-I11 PolarHBondContact O-N 3.24Å; S8-V12 WeakPolarHBondContact O-CB 3.38Å; S8-V12 VanDerWaalsContact O-CG2 3.26Å; S8-V12 WeakPolarHBondContact O-CG2 3.48Å; S8-V12 PolarHBondContact O-N 3.41Å |
| 9 | R | 79 | Confident | 76.8 | Confident | 81 Ų | 81 | 73 Ų | 73 | 31% | 0.306 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.3 | -42.6 | 175.7 | -73.5 | 173.5 | -175.4 | -167.8 | 3.8 | 111.5 | M1 E5 E6 L7 R13 | M1-R9 PolarHBondContact SD-NH1 3.22Å; E5-R9 WeakPolarHBondContact O-CB 3.36Å; E5-R9 VanDerWaalsContact O-CG 3.24Å; E5-R9 WeakPolarHBondContact O-CG 2.93Å; E5-R9 PolarHBondContact O-N 2.8Å; E5-R9 IonicContact OE1-CZ 3.85Å; E5-R9 IonicContact OE1-NE 3.45Å; E5-R9 PolarHBondContact OE1-NE 3.09Å; E5-R9 IonicContact OE1-NH2 2.57Å; E5-R9 PolarHBondContact OE1-NH2 3.4Å; E6-R9 PolarHBondContact O-N 3.35Å; L7-R9 PolarHBondContact O-N 3.22Å; R9-R13 WeakPolarHBondContact O-CB 3.42Å; R9-R13 VanDerWaalsContact O-CG 3.27Å; R9-R13 WeakPolarHBondContact O-CG 2.68Å; R9-R13 PolarHBondContact O-N 2.92Å |
| 10 | S | 80.1 | Confident | 77.2 | Confident | 28 Ų | 28 | 69.4 Ų | 69.4 | 20% | 0.196 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.1 | -49.8 | 176.8 | -177.8 | 0 | 0 | 0 | 0 | 111.4 | E6 L7 R13 R14 | E6-S10 WeakPolarHBondContact O-CB 3.35Å; E6-S10 PolarHBondContact O-N 3.03Å; L7-S10 WeakPolarHBondContact O-CB 2.95Å; L7-S10 PolarHBondContact O-N 2.87Å; S10-R13 PolarHBondContact O-N 2.97Å; S10-R14 WeakPolarHBondContact O-CG 3.46Å; S10-R14 PolarHBondContact O-N 3.43Å; S10-R14 VanDerWaalsContact O-N 3.1Å |
| 11 | I | 82.9 | Confident | 77.3 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.8 | -50.1 | 178.1 | -68.6 | 164 | 0 | 0 | 0 | 110.5 | L7 S8 R13 R14 L15 L39 F117 L120 E121 | L7-I11 HydrophobicContact CD1-CD1 3.85Å; L7-I11 HydrophobicContact CD1-CG1 4.25Å; L7-I11 HydrophobicContact CG-CD1 3.85Å; L7-I11 WeakPolarHBondContact O-CG1 3.41Å; L7-I11 PolarHBondContact O-N 3.27Å; S8-I11 PolarHBondContact O-N 3.24Å; I11-R13 VanDerWaalsContact C-N 3.3Å; I11-R13 PolarHBondContact O-N 2.81Å; I11-R14 PolarHBondContact O-N 3.19Å; I11-R14 VanDerWaalsContact O-N 3.1Å; I11-L15 HydrophobicContact CG2-CD1 3.63Å; I11-L15 HydrophobicContact CG2-CG 3.93Å; I11-L15 WeakPolarHBondContact O-CB 2.97Å; I11-L15 VanDerWaalsContact O-CG 3.28Å; I11-L15 WeakPolarHBondContact O-CG 3.23Å; I11-L15 PolarHBondContact O-N 3.2Å; I11-L39 HydrophobicContact CB-CD2 4.09Å; I11-L39 HydrophobicContact CG2-CD2 3.72Å; I11-F117 HydrophobicContact CD1-CB 4.39Å; I11-F117 HydrophobicContact CD1-CD1 3.67Å; I11-F117 WeakPolarHBondContact CD1-O 2.9Å; I11-L120 HydrophobicContact CD1-CB 4.32Å; I11-L120 HydrophobicContact CG2-CB 4.07Å; I11-E121 HydrophobicContact CD1-CB 4.15Å; I11-E121 HydrophobicContact CG1-CB 4.01Å; I11-E121 HydrophobicContact CG1-CG 4.36Å |
| 12 | V | 83.3 | Confident | 78.6 | Confident | 5 Ų | 5 | 63.9 Ų | 63.9 | 3% | 0.03 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.8 | -41.7 | 179.8 | 172.3 | 0 | 0 | 0 | 0 | 111.7 | S8 R14 L15 N16 F21 R35 I36 L39 | S8-V12 WeakPolarHBondContact O-CB 3.38Å; S8-V12 VanDerWaalsContact O-CG2 3.26Å; S8-V12 WeakPolarHBondContact O-CG2 3.48Å; S8-V12 PolarHBondContact O-N 3.41Å; V12-R14 PolarHBondContact O-N 3.35Å; V12-L15 PolarHBondContact O-N 3.4Å; V12-N16 VanDerWaalsContact O-CB 3.27Å; V12-N16 WeakPolarHBondContact O-CB 3.38Å; V12-N16 PolarHBondContact O-N 3.08Å; V12-N16 PolarHBondContact O-ND2 3.13Å; V12-F21 HydrophobicContact CG1-CE2 4.19Å; V12-F21 HydrophobicContact CG1-CZ 4.4Å; V12-F21 HydrophobicContact CG2-CZ 4.35Å; V12-R35 HydrophobicContact CG1-CB 4.1Å; V12-I36 HydrophobicContact CB-CG1 4.25Å; V12-I36 HydrophobicContact CG1-CG1 3.89Å; V12-I36 HydrophobicContact CG2-CG1 4.18Å; V12-L39 HydrophobicContact CG2-CB 4.08Å; V12-L39 HydrophobicContact CG2-CD2 3.59Å; V12-L39 HydrophobicContact CG2-CG 4.47Å |
| 13 | R | 81.6 | Confident | 78.8 | Confident | 176 Ų | 176 | 58.9 Ų | 58.9 | 66% | 0.664 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -59.4 | -45.3 | 175.7 | -74.8 | 174.9 | -166.4 | 158.1 | 2.1 | 111.8 | R9 S10 I11 N16 A17 | R9-R13 WeakPolarHBondContact O-CB 3.42Å; R9-R13 VanDerWaalsContact O-CG 3.27Å; R9-R13 WeakPolarHBondContact O-CG 2.68Å; R9-R13 PolarHBondContact O-N 2.92Å; S10-R13 PolarHBondContact O-N 2.97Å; I11-R13 VanDerWaalsContact C-N 3.3Å; I11-R13 PolarHBondContact O-N 2.81Å; R13-N16 PolarHBondContact O-N 3.15Å; R13-A17 WeakPolarHBondContact O-CB 3.31Å; R13-A17 PolarHBondContact O-N 3.13Å |
| 14 | R | 82.3 | Confident | 78.9 | Confident | 58 Ų | 58 | 54.6 Ų | 54.6 | 22% | 0.219 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68 | -45 | 179.1 | -65.5 | -178.1 | -178 | 146.6 | 3 | 112 | S10 I11 V12 N16 A17 L18 E121 S124 M128 | S10-R14 WeakPolarHBondContact O-CG 3.46Å; S10-R14 PolarHBondContact O-N 3.43Å; S10-R14 VanDerWaalsContact O-N 3.1Å; I11-R14 PolarHBondContact O-N 3.19Å; I11-R14 VanDerWaalsContact O-N 3.1Å; V12-R14 PolarHBondContact O-N 3.35Å; R14-N16 VanDerWaalsContact C-N 3.31Å; R14-N16 PolarHBondContact O-N 3.16Å; R14-A17 PolarHBondContact O-N 2.89Å; R14-L18 WeakPolarHBondContact O-CB 3.3Å; R14-L18 VanDerWaalsContact O-CG 3.28Å; R14-L18 WeakPolarHBondContact O-CG 3.13Å; R14-L18 PolarHBondContact O-N 2.81Å; R14-E121 IonicContact NH1-OE1 2.75Å; R14-E121 PolarHBondContact NH1-OE1 3.42Å; R14-S124 WeakPolarHBondContact CD-OG 3.38Å; R14-M128 HydrophobicContact CB-SD 4.04Å; R14-M128 HydrophobicContact CG-SD 3.68Å |
| 15 | L | 84.7 | Confident | 78.8 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61 | -39.7 | 176.2 | -66.2 | -177.3 | 0 | 0 | 0 | 112 | I11 V12 L18 G19 T20 F21 L50 L54 | I11-L15 HydrophobicContact CG2-CD1 3.63Å; I11-L15 HydrophobicContact CG2-CG 3.93Å; I11-L15 WeakPolarHBondContact O-CB 2.97Å; I11-L15 VanDerWaalsContact O-CG 3.28Å; I11-L15 WeakPolarHBondContact O-CG 3.23Å; I11-L15 PolarHBondContact O-N 3.2Å; V12-L15 PolarHBondContact O-N 3.4Å; L15-L18 PolarHBondContact O-N 2.85Å; L15-G19 PolarHBondContact O-N 3.34Å; L15-G19 VanDerWaalsContact O-N 3.11Å; L15-T20 HydrophobicContact CD2-CG2 3.99Å; L15-T20 PolarHBondContact O-N 2.75Å; L15-F21 HydrophobicContact CB-CD2 3.9Å; L15-F21 HydrophobicContact CB-CE2 3.35Å; L15-F21 HydrophobicContact CB-CZ 3.79Å; L15-F21 HydrophobicContact CD1-CE1 4.13Å; L15-F21 HydrophobicContact CD1-CE2 4.14Å; L15-F21 HydrophobicContact CD1-CZ 3.64Å; L15-F21 HydrophobicContact CG-CE2 4.39Å; L15-F21 HydrophobicContact CG-CZ 4.38Å; L15-L50 HydrophobicContact CD1-CD1 4.25Å; L15-L50 HydrophobicContact CD1-CD2 4.2Å; L15-L54 HydrophobicContact CD2-CD1 3.85Å; L15-L54 HydrophobicContact CD2-CD2 3.77Å; L15-L54 HydrophobicContact CD2-CG 4.01Å |
| 16 | N | 81.3 | Confident | 78.9 | Confident | 64 Ų | 64 | 43.7 Ų | 43.7 | 34% | 0.342 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62 | -48.6 | 172.1 | -77.7 | -17.3 | 0 | 0 | 0 | 111.3 | V12 R13 R14 L18 G19 F21 R35 | V12-N16 VanDerWaalsContact O-CB 3.27Å; V12-N16 WeakPolarHBondContact O-CB 3.38Å; V12-N16 PolarHBondContact O-N 3.08Å; V12-N16 PolarHBondContact O-ND2 3.13Å; R13-N16 PolarHBondContact O-N 3.15Å; R14-N16 VanDerWaalsContact C-N 3.31Å; R14-N16 PolarHBondContact O-N 3.16Å; N16-L18 PolarHBondContact O-N 3.3Å; N16-G19 PolarHBondContact O-N 3.09Å; N16-F21 WeakPolarHBondContact OD1-CD2 3.3Å; N16-F21 WeakPolarHBondContact OD1-CE2 3.4Å; N16-R35 WeakPolarHBondContact OD1-CD 3.48Å; N16-R35 PolarHBondContact OD1-NH1 3.06Å |
| 17 | A | 77.8 | Confident | 78.9 | Confident | 59 Ų | 59 | 39.9 Ų | 39.9 | 49% | 0.488 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -60.6 | -36.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112 | R13 R14 G19 R131 | R13-A17 WeakPolarHBondContact O-CB 3.31Å; R13-A17 PolarHBondContact O-N 3.13Å; R14-A17 PolarHBondContact O-N 2.89Å; A17-G19 VanDerWaalsContact C-N 3.31Å; A17-R131 PolarHBondContact O-NH1 3.16Å |
| 18 | L | 80.1 | Confident | 78.7 | Confident | 20 Ų | 20 | 43.4 Ų | 43.4 | 11% | 0.105 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -8 | 176.3 | -69.3 | 168.9 | 0 | 0 | 0 | 114.1 | R14 L15 N16 T20 L54 Q57 A127 M128 | R14-L18 WeakPolarHBondContact O-CB 3.3Å; R14-L18 VanDerWaalsContact O-CG 3.28Å; R14-L18 WeakPolarHBondContact O-CG 3.13Å; R14-L18 PolarHBondContact O-N 2.81Å; L15-L18 PolarHBondContact O-N 2.85Å; N16-L18 PolarHBondContact O-N 3.3Å; L18-T20 VanDerWaalsContact CB-OG1 3.31Å; L18-T20 WeakPolarHBondContact CB-OG1 3.34Å; L18-T20 PolarHBondContact O-N 3.21Å; L18-L54 HydrophobicContact CD1-CD2 3.74Å; L18-Q57 PolarHBondContact O-NE2 3.49Å; L18-A127 HydrophobicContact CD1-CB 3.63Å; L18-A127 HydrophobicContact CD2-CB 3.97Å; L18-A127 HydrophobicContact CG-CB 4.46Å; L18-M128 HydrophobicContact CD1-CG 4.23Å; L18-M128 HydrophobicContact CD2-CG 3.92Å; L18-M128 HydrophobicContact CG-CG 4.06Å |
| 19 | G | 79.9 | Confident | 78.5 | Confident | 24 Ų | 24 | 45.1 Ų | 45.1 | 25% | 0.247 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63 | 21 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L15 N16 A17 F21 D22 H23 | L15-G19 PolarHBondContact O-N 3.34Å; L15-G19 VanDerWaalsContact O-N 3.11Å; N16-G19 PolarHBondContact O-N 3.09Å; A17-G19 VanDerWaalsContact C-N 3.31Å; G19-F21 VanDerWaalsContact C-N 3.27Å; G19-F21 PolarHBondContact O-N 2.99Å; G19-D22 PolarHBondContact O-N 2.97Å; G19-H23 PolarHBondContact O-N 3.41Å |
| 20 | T | 83.5 | Confident | 78.4 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -63.7 | -33.7 | -175 | -48.6 | 0 | 0 | 0 | 0 | 111.8 | L15 L18 D22 H23 V26 A53 L54 Q57 | L15-T20 HydrophobicContact CD2-CG2 3.99Å; L15-T20 PolarHBondContact O-N 2.75Å; L18-T20 VanDerWaalsContact CB-OG1 3.31Å; L18-T20 WeakPolarHBondContact CB-OG1 3.34Å; L18-T20 PolarHBondContact O-N 3.21Å; T20-D22 PolarHBondContact O-N 3.43Å; T20-H23 WeakPolarHBondContact O-CB 3.43Å; T20-H23 PolarHBondContact O-N 3.48Å; T20-H23 VanDerWaalsContact O-N 3.13Å; T20-V26 WeakPolarHBondContact O-CG2 3.45Å; T20-A53 HydrophobicContact CG2-CB 3.73Å; T20-L54 HydrophobicContact CG2-CD2 4.05Å; T20-L54 HydrophobicContact CG2-CG 4.1Å; T20-Q57 PolarHBondContact OG1-OE1 3.26Å |
| 21 | F | 80.3 | Confident | 77.7 | Confident | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.009 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -66.2 | -22.6 | 175.9 | -67.3 | -68.4 | 0 | 0 | 0 | 113.5 | V12 L15 N16 G19 H23 A27 F30 R35 L50 | V12-F21 HydrophobicContact CG1-CE2 4.19Å; V12-F21 HydrophobicContact CG1-CZ 4.4Å; V12-F21 HydrophobicContact CG2-CZ 4.35Å; L15-F21 HydrophobicContact CB-CD2 3.9Å; L15-F21 HydrophobicContact CB-CE2 3.35Å; L15-F21 HydrophobicContact CB-CZ 3.79Å; L15-F21 HydrophobicContact CD1-CE1 4.13Å; L15-F21 HydrophobicContact CD1-CE2 4.14Å; L15-F21 HydrophobicContact CD1-CZ 3.64Å; L15-F21 HydrophobicContact CG-CE2 4.39Å; L15-F21 HydrophobicContact CG-CZ 4.38Å; N16-F21 WeakPolarHBondContact OD1-CD2 3.3Å; N16-F21 WeakPolarHBondContact OD1-CE2 3.4Å; G19-F21 VanDerWaalsContact C-N 3.27Å; G19-F21 PolarHBondContact O-N 2.99Å; F21-H23 VanDerWaalsContact C-N 3.3Å; F21-A27 VanDerWaalsContact O-CA 3.23Å; F21-A27 WeakPolarHBondContact O-CA 3.36Å; F21-F30 AromaticContact CD1-CD1 3.76Å; F21-F30 HydrophobicContact CD1-CD1 3.76Å; F21-F30 AromaticContact CD1-CD2 3.7Å; F21-F30 HydrophobicContact CD1-CD2 3.7Å; F21-F30 AromaticContact CD1-CE1 3.78Å; F21-F30 HydrophobicContact CD1-CE1 3.78Å; F21-F30 AromaticContact CD1-CE2 3.75Å; F21-F30 HydrophobicContact CD1-CE2 3.75Å; F21-F30 AromaticContact CD1-CG 3.73Å; F21-F30 HydrophobicContact CD1-CG 3.73Å; F21-F30 AromaticContact CD1-CZ 3.81Å; F21-F30 HydrophobicContact CD1-CZ 3.81Å; F21-F30 AromaticContact CE1-CD1 3.84Å; F21-F30 HydrophobicContact CE1-CD1 3.84Å; F21-F30 HydrophobicContact CE1-CD2 4.33Å; F21-F30 AromaticContact CE1-CE1 3.45Å; F21-F30 HydrophobicContact CE1-CE1 3.45Å; F21-F30 VanDerWaalsContact CE1-CE1 3.45Å; F21-F30 HydrophobicContact CE1-CE2 4.02Å; F21-F30 HydrophobicContact CE1-CG 4.27Å; F21-F30 AromaticContact CE1-CZ 3.58Å; F21-F30 HydrophobicContact CE1-CZ 3.58Å; F21-R35 HydrophobicContact CD2-CG 4.48Å; F21-R35 HydrophobicContact CE1-CB 4.5Å; F21-R35 HydrophobicContact CE2-CB 4.34Å; F21-R35 HydrophobicContact CE2-CG 4.5Å; F21-R35 HydrophobicContact CG-CG 4.48Å; F21-R35 HydrophobicContact CZ-CB 4.18Å; F21-L50 HydrophobicContact CD1-CD2 4.19Å; F21-L50 HydrophobicContact CE1-CD2 4.07Å |
| 22 | D | 79.1 | Confident | 76.7 | Confident | 102 Ų | 102 | 54.5 Ų | 54.5 | 55% | 0.545 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -92.1 | 0 | 179.2 | -48.1 | -46.4 | 0 | 0 | 0 | 110.9 | G19 T20 R35 | G19-D22 PolarHBondContact O-N 2.97Å; T20-D22 PolarHBondContact O-N 3.43Å; D22-R35 IonicContact OD1-NH2 3.89Å; D22-R35 PolarHBondContact OD1-NH2 2.83Å |
| 23 | H | 76.7 | Confident | 75.8 | Confident | 21 Ų | 21 | 60 Ų | 60 | 10% | 0.097 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -66 | 133.5 | 176.6 | -173.9 | -81.8 | 0 | 0 | 0 | 110.3 | G19 T20 F21 A25 V26 A27 A53 | G19-H23 PolarHBondContact O-N 3.41Å; T20-H23 WeakPolarHBondContact O-CB 3.43Å; T20-H23 PolarHBondContact O-N 3.48Å; T20-H23 VanDerWaalsContact O-N 3.13Å; F21-H23 VanDerWaalsContact C-N 3.3Å; H23-A25 VanDerWaalsContact ND1-CB 3.34Å; H23-A25 WeakPolarHBondContact ND1-CB 3.43Å; H23-A25 PolarHBondContact ND1-N 2.95Å; H23-A25 PolarHBondContact O-N 3.19Å; H23-V26 HydrophobicContact CB-CG2 4.07Å; H23-V26 PolarHBondContact O-N 3.46Å; H23-A27 WeakPolarHBondContact O-CB 3.48Å; H23-A27 PolarHBondContact O-N 3.27Å; H23-A53 HydrophobicContact CB-CB 4.14Å |
| 24 | P | 71.5 | Confident | 75.5 | Confident | 85 Ų | 85 | 56.4 Ų | 56.4 | 55% | 0.552 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -53 | -33.2 | -174 | -29.8 | 35.6 | 0 | 0 | 0 | 114.8 | V26 P63 | P24-V26 VanDerWaalsContact C-N 3.25Å; P24-V26 PolarHBondContact O-N 3.39Å; P24-P63 HydrophobicContact CG-CB 4.47Å; P24-P63 HydrophobicContact CG-CG 4.08Å |
| 25 | A | 67.2 | Low | 75.4 | Confident | 18 Ų | 18 | 57.2 Ų | 57.2 | 15% | 0.149 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68.4 | -15.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | H23 F28 Y52 | H23-A25 VanDerWaalsContact ND1-CB 3.34Å; H23-A25 WeakPolarHBondContact ND1-CB 3.43Å; H23-A25 PolarHBondContact ND1-N 2.95Å; H23-A25 PolarHBondContact O-N 3.19Å; A25-F28 VanDerWaalsContact O-CE1 3.31Å; A25-F28 WeakPolarHBondContact O-CE1 3.47Å; A25-Y52 HydrophobicContact CB-CD1 4.22Å; A25-Y52 HydrophobicContact CB-CE1 4.32Å |
| 26 | V | 73.7 | Confident | 74.7 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -133.4 | -16.8 | -177.2 | -66.4 | 0 | 0 | 0 | 0 | 113.9 | T20 H23 P24 F28 L29 F30 S49 L50 A53 | T20-V26 WeakPolarHBondContact O-CG2 3.45Å; H23-V26 HydrophobicContact CB-CG2 4.07Å; H23-V26 PolarHBondContact O-N 3.46Å; P24-V26 VanDerWaalsContact C-N 3.25Å; P24-V26 PolarHBondContact O-N 3.39Å; V26-F28 PolarHBondContact O-N 2.9Å; V26-F28 VanDerWaalsContact O-N 3.08Å; V26-L29 HydrophobicContact CB-CD1 4.33Å; V26-L29 HydrophobicContact CG1-CD1 4.27Å; V26-L29 WeakPolarHBondContact O-CA 3.5Å; V26-L29 VanDerWaalsContact O-CB 3.26Å; V26-L29 WeakPolarHBondContact O-CB 3.15Å; V26-L29 PolarHBondContact O-N 3.36Å; V26-F30 HydrophobicContact CB-CE2 4.27Å; V26-F30 WeakPolarHBondContact O-CD2 3.17Å; V26-S49 VanDerWaalsContact CG1-C 3.4Å; V26-S49 VanDerWaalsContact CG1-O 3.3Å; V26-S49 WeakPolarHBondContact CG1-O 3.21Å; V26-L50 HydrophobicContact CB-CD2 4.37Å; V26-L50 HydrophobicContact CG1-CD2 4.23Å; V26-L50 HydrophobicContact CG1-CG 4.47Å; V26-L50 HydrophobicContact CG2-CD2 4.27Å; V26-A53 HydrophobicContact CG1-CB 4.21Å; V26-A53 HydrophobicContact CG2-CB 4.23Å |
| 27 | A | 76.5 | Confident | 74.4 | Confident | 35 Ų | 35 | 59.8 Ų | 59.8 | 29% | 0.289 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -51.3 | -40.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | F21 H23 L29 F30 V31 | F21-A27 VanDerWaalsContact O-CA 3.23Å; F21-A27 WeakPolarHBondContact O-CA 3.36Å; H23-A27 WeakPolarHBondContact O-CB 3.48Å; H23-A27 PolarHBondContact O-N 3.27Å; A27-L29 PolarHBondContact O-N 3.21Å; A27-F30 PolarHBondContact O-N 3.25Å; A27-F30 VanDerWaalsContact O-N 3.12Å; A27-V31 WeakPolarHBondContact O-CG2 3.49Å |
| 28 | F | 74.2 | Confident | 74.2 | Confident | 121 Ų | 121 | 57.4 Ų | 57.4 | 53% | 0.531 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -24.9 | 177.5 | 77.1 | -89.8 | 0 | 0 | 0 | 114.2 | A25 V26 F30 | A25-F28 VanDerWaalsContact O-CE1 3.31Å; A25-F28 WeakPolarHBondContact O-CE1 3.47Å; V26-F28 PolarHBondContact O-N 2.9Å; V26-F28 VanDerWaalsContact O-N 3.08Å; F28-F30 VanDerWaalsContact C-N 3.32Å |
| 29 | L | 73.9 | Confident | 74.1 | Confident | 49 Ų | 49 | 56.5 Ų | 56.5 | 26% | 0.257 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -16.8 | 179.4 | -61.1 | 170.2 | 0 | 0 | 0 | 112.8 | V26 A27 T46 | V26-L29 HydrophobicContact CB-CD1 4.33Å; V26-L29 HydrophobicContact CG1-CD1 4.27Å; V26-L29 WeakPolarHBondContact O-CA 3.5Å; V26-L29 VanDerWaalsContact O-CB 3.26Å; V26-L29 WeakPolarHBondContact O-CB 3.15Å; V26-L29 PolarHBondContact O-N 3.36Å; A27-L29 PolarHBondContact O-N 3.21Å; L29-T46 HydrophobicContact CD1-CG2 4.23Å |
| 30 | F | 77.1 | Confident | 73.9 | Confident | 16 Ų | 16 | 62 Ų | 62 | 7% | 0.07 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -120.9 | 11.5 | -171.7 | -63.3 | -87.4 | 0 | 0 | 0 | 113.7 | F21 V26 A27 F28 Q32 T38 T46 L50 | F21-F30 AromaticContact CD1-CD1 3.76Å; F21-F30 HydrophobicContact CD1-CD1 3.76Å; F21-F30 AromaticContact CD1-CD2 3.7Å; F21-F30 HydrophobicContact CD1-CD2 3.7Å; F21-F30 AromaticContact CD1-CE1 3.78Å; F21-F30 HydrophobicContact CD1-CE1 3.78Å; F21-F30 AromaticContact CD1-CE2 3.75Å; F21-F30 HydrophobicContact CD1-CE2 3.75Å; F21-F30 AromaticContact CD1-CG 3.73Å; F21-F30 HydrophobicContact CD1-CG 3.73Å; F21-F30 AromaticContact CD1-CZ 3.81Å; F21-F30 HydrophobicContact CD1-CZ 3.81Å; F21-F30 AromaticContact CE1-CD1 3.84Å; F21-F30 HydrophobicContact CE1-CD1 3.84Å; F21-F30 HydrophobicContact CE1-CD2 4.33Å; F21-F30 AromaticContact CE1-CE1 3.45Å; F21-F30 HydrophobicContact CE1-CE1 3.45Å; F21-F30 VanDerWaalsContact CE1-CE1 3.45Å; F21-F30 HydrophobicContact CE1-CE2 4.02Å; F21-F30 HydrophobicContact CE1-CG 4.27Å; F21-F30 AromaticContact CE1-CZ 3.58Å; F21-F30 HydrophobicContact CE1-CZ 3.58Å; V26-F30 HydrophobicContact CB-CE2 4.27Å; V26-F30 WeakPolarHBondContact O-CD2 3.17Å; A27-F30 PolarHBondContact O-N 3.25Å; A27-F30 VanDerWaalsContact O-N 3.12Å; F28-F30 VanDerWaalsContact C-N 3.32Å; F30-Q32 PolarHBondContact O-N 3.12Å; F30-T38 HydrophobicContact CD1-CG2 3.58Å; F30-T38 HydrophobicContact CE1-CG2 3.31Å; F30-T38 HydrophobicContact CZ-CG2 4.1Å; F30-T46 HydrophobicContact CE2-CG2 4.4Å; F30-T46 HydrophobicContact CZ-CG2 3.94Å; F30-L50 HydrophobicContact CE2-CD2 3.92Å; F30-L50 HydrophobicContact CE2-CG 4.35Å; F30-L50 HydrophobicContact CZ-CD1 4.01Å; F30-L50 HydrophobicContact CZ-CD2 4.09Å; F30-L50 HydrophobicContact CZ-CG 4.27Å |
| 31 | V | 65.2 | Low | 73.5 | Confident | 106 Ų | 106 | 68.4 Ų | 68.4 | 64% | 0.642 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -17.9 | -169.7 | -179.2 | 0 | 0 | 0 | 0 | 114.3 | A27 | A27-V31 WeakPolarHBondContact O-CG2 3.49Š|
| 32 | Q | 60.9 | Low | 73.3 | Confident | 184 Ų | 184 | 69.2 Ų | 69.2 | 86% | 0.86 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -144.8 | 14.2 | -172.8 | -64.2 | -171.6 | -15.7 | 0 | 0 | 115.3 | F30 | F30-Q32 PolarHBondContact O-N 3.12Š|
| 33 | Q | 63.8 | Low | 73.3 | Confident | 120 Ų | 120 | 68 Ų | 68 | 56% | 0.561 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -128.8 | 149.3 | -171.8 | -67.7 | -175.4 | -4.1 | 0 | 0 | 112.5 | R35 T38 | Q33-R35 PolarHBondContact O-N 2.93Å; Q33-R35 VanDerWaalsContact O-N 3.15Å; Q33-T38 WeakPolarHBondContact CB-OG1 3.4Å; Q33-T38 PolarHBondContact OE1-OG1 3.31Å |
| 34 | D | 76.7 | Confident | 73.2 | Confident | 101 Ų | 101 | 71.1 Ų | 71.1 | 54% | 0.54 | 37% | 0.366 | S | S | . | . | trans | -56.6 | 117 | 166.5 | 169.6 | 49.2 | 0 | 0 | 0 | 109.3 | I36 S37 T38 | D34-I36 PolarHBondContact O-N 3.29Å; D34-I36 VanDerWaalsContact O-N 3.11Å; D34-S37 WeakPolarHBondContact O-CA 3.26Å; D34-S37 WeakPolarHBondContact O-CB 3.12Å; D34-S37 PolarHBondContact O-N 3.14Å; D34-S37 WeakPolarHBondContact OD2-CB 3.26Å; D34-S37 PolarHBondContact OD2-N 2.89Å; D34-T38 PolarHBondContact O-N 3.43Å; D34-T38 PolarHBondContact O-OG1 2.94Å; D34-T38 VanDerWaalsContact O-OG1 3.13Å | ||
| 35 | R | 78.8 | Confident | 73.4 | Confident | 75 Ų | 75 | 69.1 Ų | 69.1 | 28% | 0.283 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -56.4 | -32.5 | -173.2 | -65.5 | 175.9 | 177.1 | -175.3 | -5.7 | 112.1 | V12 N16 F21 D22 Q33 L39 | V12-R35 HydrophobicContact CG1-CB 4.1Å; N16-R35 WeakPolarHBondContact OD1-CD 3.48Å; N16-R35 PolarHBondContact OD1-NH1 3.06Å; F21-R35 HydrophobicContact CD2-CG 4.48Å; F21-R35 HydrophobicContact CE1-CB 4.5Å; F21-R35 HydrophobicContact CE2-CB 4.34Å; F21-R35 HydrophobicContact CE2-CG 4.5Å; F21-R35 HydrophobicContact CG-CG 4.48Å; F21-R35 HydrophobicContact CZ-CB 4.18Å; D22-R35 IonicContact OD1-NH2 3.89Å; D22-R35 PolarHBondContact OD1-NH2 2.83Å; Q33-R35 PolarHBondContact O-N 2.93Å; Q33-R35 VanDerWaalsContact O-N 3.15Å; R35-L39 WeakPolarHBondContact O-CB 3.27Å; R35-L39 PolarHBondContact O-N 3.28Å |
| 36 | I | 71.8 | Confident | 74 | Confident | 65 Ų | 65 | 69 Ų | 69 | 33% | 0.333 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -69.5 | -50.6 | 176.5 | -60 | 175.4 | 0 | 0 | 0 | 110.3 | V12 D34 T38 L39 K40 | V12-I36 HydrophobicContact CB-CG1 4.25Å; V12-I36 HydrophobicContact CG1-CG1 3.89Å; V12-I36 HydrophobicContact CG2-CG1 4.18Å; D34-I36 PolarHBondContact O-N 3.29Å; D34-I36 VanDerWaalsContact O-N 3.11Å; I36-T38 PolarHBondContact O-N 3.13Å; I36-L39 PolarHBondContact O-N 3.12Å; I36-K40 WeakPolarHBondContact O-CB 3.44Å; I36-K40 PolarHBondContact O-N 3Å |
| 37 | S | 74.3 | Confident | 74.4 | Confident | 52 Ų | 52 | 69 Ų | 69 | 36% | 0.364 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -57.1 | -45.7 | 174.5 | -173.2 | 0 | 0 | 0 | 0 | 112.3 | D34 L39 K40 H41 | D34-S37 WeakPolarHBondContact O-CA 3.26Å; D34-S37 WeakPolarHBondContact O-CB 3.12Å; D34-S37 PolarHBondContact O-N 3.14Å; D34-S37 WeakPolarHBondContact OD2-CB 3.26Å; D34-S37 PolarHBondContact OD2-N 2.89Å; S37-L39 PolarHBondContact O-N 3.4Å; S37-K40 WeakPolarHBondContact O-CB 3.49Å; S37-K40 PolarHBondContact O-N 2.77Å; S37-H41 PolarHBondContact O-CD2 3.48Å; S37-H41 PolarHBondContact O-N 3.36Å |
| 38 | T | 73.5 | Confident | 74.5 | Confident | 10 Ų | 10 | 67.5 Ų | 67.5 | 6% | 0.061 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.8 | -41.8 | 178.4 | -51.1 | 0 | 0 | 0 | 0 | 112.1 | F30 Q33 D34 I36 H41 A42 | F30-T38 HydrophobicContact CD1-CG2 3.58Å; F30-T38 HydrophobicContact CE1-CG2 3.31Å; F30-T38 HydrophobicContact CZ-CG2 4.1Å; Q33-T38 WeakPolarHBondContact CB-OG1 3.4Å; Q33-T38 PolarHBondContact OE1-OG1 3.31Å; D34-T38 PolarHBondContact O-N 3.43Å; D34-T38 PolarHBondContact O-OG1 2.94Å; D34-T38 VanDerWaalsContact O-OG1 3.13Å; I36-T38 PolarHBondContact O-N 3.13Å; T38-H41 CarbonylContact O-C 3.4Å; T38-H41 PolarHBondContact O-N 2.92Å; T38-A42 VanDerWaalsContact O-CA 3.32Å; T38-A42 WeakPolarHBondContact O-CA 3.3Å; T38-A42 WeakPolarHBondContact O-CB 3.44Å; T38-A42 PolarHBondContact O-N 3.13Å |
| 39 | L | 78.7 | Confident | 74.8 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.1 | -40.2 | 176.9 | -167.2 | 69.8 | 0 | 0 | 0 | 111.2 | I11 V12 R35 I36 S37 H41 A42 L47 L50 F117 L120 | I11-L39 HydrophobicContact CB-CD2 4.09Å; I11-L39 HydrophobicContact CG2-CD2 3.72Å; V12-L39 HydrophobicContact CG2-CB 4.08Å; V12-L39 HydrophobicContact CG2-CD2 3.59Å; V12-L39 HydrophobicContact CG2-CG 4.47Å; R35-L39 WeakPolarHBondContact O-CB 3.27Å; R35-L39 PolarHBondContact O-N 3.28Å; I36-L39 PolarHBondContact O-N 3.12Å; S37-L39 PolarHBondContact O-N 3.4Å; L39-H41 PolarHBondContact O-N 3.06Å; L39-A42 VanDerWaalsContact O-CB 3.24Å; L39-A42 WeakPolarHBondContact O-CB 3.23Å; L39-A42 PolarHBondContact O-N 3Å; L39-A42 VanDerWaalsContact O-N 3.16Å; L39-L47 HydrophobicContact CD1-CD2 3.96Å; L39-L50 HydrophobicContact CD1-CD1 3.53Å; L39-F117 HydrophobicContact CD1-CE1 4.46Å; L39-F117 HydrophobicContact CD2-CE1 3.93Å; L39-F117 HydrophobicContact CG-CE1 3.82Å; L39-F117 HydrophobicContact CG-CZ 4.11Å; L39-F117 WeakPolarHBondContact O-CZ 3.17Å; L39-L120 HydrophobicContact CD1-CD1 4.15Å |
| 40 | K | 75.5 | Confident | 75.3 | Confident | 140 Ų | 140 | 59.6 Ų | 59.6 | 61% | 0.609 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -60 | -32.5 | 177.1 | -172.5 | 177.7 | -178.8 | 177 | 0 | 112.6 | I36 S37 | I36-K40 WeakPolarHBondContact O-CB 3.44Å; I36-K40 PolarHBondContact O-N 3Å; S37-K40 WeakPolarHBondContact O-CB 3.49Å; S37-K40 PolarHBondContact O-N 2.77Å |
| 41 | H | 74.9 | Confident | 75.6 | Confident | 135 Ų | 135 | 58.8 Ų | 58.8 | 63% | 0.625 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.1 | 17.3 | 179.3 | -60.3 | -61.7 | 0 | 0 | 0 | 113.1 | S37 T38 L39 T43 | S37-H41 PolarHBondContact O-CD2 3.48Å; S37-H41 PolarHBondContact O-N 3.36Å; T38-H41 CarbonylContact O-C 3.4Å; T38-H41 PolarHBondContact O-N 2.92Å; L39-H41 PolarHBondContact O-N 3.06Å; H41-T43 PolarHBondContact O-N 3.27Å |
| 42 | A | 76.1 | Confident | 76.2 | Confident | 19 Ų | 19 | 56.1 Ų | 56.1 | 16% | 0.157 | 28% | 0.277 | C | S | . | . | trans | -64.8 | 132.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | T38 L39 T46 L47 | T38-A42 VanDerWaalsContact O-CA 3.32Å; T38-A42 WeakPolarHBondContact O-CA 3.3Å; T38-A42 WeakPolarHBondContact O-CB 3.44Å; T38-A42 PolarHBondContact O-N 3.13Å; L39-A42 VanDerWaalsContact O-CB 3.24Å; L39-A42 WeakPolarHBondContact O-CB 3.23Å; L39-A42 PolarHBondContact O-N 3Å; L39-A42 VanDerWaalsContact O-N 3.16Å; A42-T46 HydrophobicContact CB-CG2 3.9Å; A42-L47 HydrophobicContact CB-CD2 3.69Å; A42-L47 HydrophobicContact CB-CG 3.84Å | ||
| 43 | T | 77.4 | Confident | 77.1 | Confident | 77 Ų | 77 | 47.4 Ų | 47.4 | 47% | 0.472 | 24% | 0.236 | S | C | . | . | trans | -73.5 | 159.9 | 170.3 | 67 | 0 | 0 | 0 | 0 | 110.1 | H41 P45 T46 L47 | H41-T43 PolarHBondContact O-N 3.27Å; T43-P45 VanDerWaalsContact C-N 3.31Å; T43-P45 WeakPolarHBondContact OG1-CD 3.5Å; T43-T46 WeakPolarHBondContact O-CB 3.37Å; T43-T46 PolarHBondContact O-N 2.84Å; T43-T46 PolarHBondContact OG1-N 2.99Å; T43-T46 PolarHBondContact OG1-OG1 2.92Å; T43-L47 PolarHBondContact O-N 3.47Å | ||
| 44 | Y | 76.5 | Confident | 78 | Confident | 86 Ų | 86 | 41.7 Ų | 41.7 | 34% | 0.337 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -47.1 | -50.7 | 170.2 | -82.3 | -73.2 | 0 | 0 | 0 | 112.3 | T46 L47 Y48 S112 V113 | Y44-T46 VanDerWaalsContact C-N 3.31Å; Y44-T46 PolarHBondContact O-N 3.49Å; Y44-L47 PolarHBondContact O-N 3.05Å; Y44-L47 VanDerWaalsContact O-N 3.13Å; Y44-Y48 AromaticContact CD1-CE2 3.95Å; Y44-Y48 HydrophobicContact CD1-CE2 3.95Å; Y44-Y48 HydrophobicContact CG-CE2 4.49Å; Y44-Y48 WeakPolarHBondContact O-CD2 3.13Å; Y44-Y48 PolarHBondContact O-N 3.39Å; Y44-S112 WeakPolarHBondContact OH-CA 3.49Å; Y44-V113 HydrophobicContact CE1-CG2 3.96Å; Y44-V113 HydrophobicContact CE2-CG2 3.89Å; Y44-V113 WeakPolarHBondContact OH-CG2 3.43Å; Y44-V113 PolarHBondContact OH-N 3.11Å; Y44-V113 VanDerWaalsContact OH-N 3.09Å |
| 45 | P | 74.5 | Confident | 78 | Confident | 43 Ų | 43 | 36.9 Ų | 36.9 | 28% | 0.279 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -42.8 | -53.3 | 170 | -34.1 | 33.5 | 0 | 0 | 0 | 114.4 | T43 L47 Y48 S49 I72 | T43-P45 VanDerWaalsContact C-N 3.31Å; T43-P45 WeakPolarHBondContact OG1-CD 3.5Å; P45-L47 PolarHBondContact O-N 3.46Å; P45-Y48 PolarHBondContact O-N 2.89Å; P45-S49 WeakPolarHBondContact O-CB 2.85Å; P45-S49 PolarHBondContact O-N 3.19Å; P45-S49 PolarHBondContact O-OG 2.82Å; P45-S49 VanDerWaalsContact O-OG 3.11Å; P45-I72 VanDerWaalsContact CA-O 3.23Å; P45-I72 WeakPolarHBondContact CA-O 3.41Å; P45-I72 WeakPolarHBondContact CB-O 3.36Å; P45-I72 WeakPolarHBondContact CG-O 3.4Å |
| 46 | T | 79 | Confident | 77.7 | Confident | 15 Ų | 15 | 33.4 Ų | 33.4 | 9% | 0.092 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.5 | -45.9 | -178.9 | -51.2 | 0 | 0 | 0 | 0 | 111.8 | L29 F30 A42 T43 Y44 S49 L50 | L29-T46 HydrophobicContact CD1-CG2 4.23Å; F30-T46 HydrophobicContact CE2-CG2 4.4Å; F30-T46 HydrophobicContact CZ-CG2 3.94Å; A42-T46 HydrophobicContact CB-CG2 3.9Å; T43-T46 WeakPolarHBondContact O-CB 3.37Å; T43-T46 PolarHBondContact O-N 2.84Å; T43-T46 PolarHBondContact OG1-N 2.99Å; T43-T46 PolarHBondContact OG1-OG1 2.92Å; Y44-T46 VanDerWaalsContact C-N 3.31Å; Y44-T46 PolarHBondContact O-N 3.49Å; T46-S49 PolarHBondContact O-N 3.29Å; T46-L50 WeakPolarHBondContact O-CG 3.35Å; T46-L50 PolarHBondContact O-N 3.08Å |
| 47 | L | 83.6 | Confident | 77.8 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.6 | -44.7 | 179.8 | -65.4 | 173.2 | 0 | 0 | 0 | 111.2 | L39 A42 T43 Y44 P45 S49 L50 I51 V113 C116 F117 L120 | L39-L47 HydrophobicContact CD1-CD2 3.96Å; A42-L47 HydrophobicContact CB-CD2 3.69Å; A42-L47 HydrophobicContact CB-CG 3.84Å; T43-L47 PolarHBondContact O-N 3.47Å; Y44-L47 PolarHBondContact O-N 3.05Å; Y44-L47 VanDerWaalsContact O-N 3.13Å; P45-L47 PolarHBondContact O-N 3.46Å; L47-S49 PolarHBondContact O-N 2.97Å; L47-L50 PolarHBondContact O-N 2.87Å; L47-I51 VanDerWaalsContact O-CG1 3.27Å; L47-I51 WeakPolarHBondContact O-CG1 3.48Å; L47-I51 PolarHBondContact O-N 3.27Å; L47-V113 HydrophobicContact CD1-CG1 4.15Å; L47-C116 HydrophobicContact CB-CB 3.87Å; L47-C116 HydrophobicContact CD1-CB 3.72Å; L47-C116 HydrophobicContact CG-CB 4.32Å; L47-F117 HydrophobicContact CD1-CD2 4.28Å; L47-F117 HydrophobicContact CD1-CE2 4.06Å; L47-F117 HydrophobicContact CD2-CD2 4.36Å; L47-F117 HydrophobicContact CD2-CE2 3.97Å; L47-F117 HydrophobicContact CD2-CZ 4.21Å; L47-L120 HydrophobicContact CD2-CD1 3.65Å |
| 48 | Y | 78.7 | Confident | 77.6 | Confident | 3 Ų | 3 | 30.7 Ų | 30.7 | 1% | 0.012 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.2 | -40.6 | 176.5 | -80.8 | -68.7 | 0 | 0 | 0 | 112.7 | Y44 P45 L50 I51 Y52 I72 E78 F81 N82 I110 | Y44-Y48 AromaticContact CD1-CE2 3.95Å; Y44-Y48 HydrophobicContact CD1-CE2 3.95Å; Y44-Y48 HydrophobicContact CG-CE2 4.49Å; Y44-Y48 WeakPolarHBondContact O-CD2 3.13Å; Y44-Y48 PolarHBondContact O-N 3.39Å; P45-Y48 PolarHBondContact O-N 2.89Å; Y48-L50 VanDerWaalsContact C-N 3.32Å; Y48-L50 PolarHBondContact O-N 2.91Å; Y48-I51 PolarHBondContact O-N 3.04Å; Y48-Y52 WeakPolarHBondContact O-CB 3.04Å; Y48-Y52 PolarHBondContact O-N 3.49Å; Y48-I72 VanDerWaalsContact CB-CD1 3.42Å; Y48-I72 HydrophobicContact CD1-CD1 3.87Å; Y48-I72 HydrophobicContact CD2-CD1 4.29Å; Y48-I72 HydrophobicContact CD2-CG2 4.18Å; Y48-I72 HydrophobicContact CG-CD1 3.64Å; Y48-I72 HydrophobicContact CG-CG1 4.4Å; Y48-I72 HydrophobicContact CG-CG2 4.46Å; Y48-E78 HydrophobicContact CD2-CG 4.1Å; Y48-E78 HydrophobicContact CE2-CB 4.28Å; Y48-E78 HydrophobicContact CE2-CG 3.66Å; Y48-F81 AromaticContact CD1-CD1 3.32Å; Y48-F81 HydrophobicContact CD1-CD1 3.32Å; Y48-F81 AromaticContact CD1-CE1 3.54Å; Y48-F81 HydrophobicContact CD1-CE1 3.54Å; Y48-F81 HydrophobicContact CD1-CG 4.1Å; Y48-F81 HydrophobicContact CD1-CZ 4.44Å; Y48-F81 AromaticContact CE1-CD1 3.58Å; Y48-F81 HydrophobicContact CE1-CD1 3.58Å; Y48-F81 HydrophobicContact CE1-CE1 4.02Å; Y48-F81 HydrophobicContact CG-CD1 4.46Å; Y48-N82 PolarHBondContact OH-ND2 3.39Å; Y48-I110 HydrophobicContact CD1-CD1 4.16Å; Y48-I110 HydrophobicContact CE1-CB 4.44Å; Y48-I110 HydrophobicContact CE1-CD1 3.56Å; Y48-I110 HydrophobicContact CE1-CG1 3.84Å; Y48-I110 PolarHBondContact OH-O 2.85Å |
| 49 | S | 79.4 | Confident | 77.3 | Confident | 4 Ų | 4 | 32.2 Ų | 32.2 | 3% | 0.028 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.9 | -35.4 | 176.2 | -64.3 | 0 | 0 | 0 | 0 | 112.2 | V26 P45 T46 L47 Y52 A53 | V26-S49 VanDerWaalsContact CG1-C 3.4Å; V26-S49 VanDerWaalsContact CG1-O 3.3Å; V26-S49 WeakPolarHBondContact CG1-O 3.21Å; P45-S49 WeakPolarHBondContact O-CB 2.85Å; P45-S49 PolarHBondContact O-N 3.19Å; P45-S49 PolarHBondContact O-OG 2.82Å; P45-S49 VanDerWaalsContact O-OG 3.11Å; T46-S49 PolarHBondContact O-N 3.29Å; L47-S49 PolarHBondContact O-N 2.97Å; S49-Y52 PolarHBondContact O-N 2.9Å; S49-A53 WeakPolarHBondContact O-CB 3.48Å; S49-A53 PolarHBondContact O-N 3.46Å |
| 50 | L | 84.8 | Confident | 76.5 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.6 | -43.8 | 171.9 | -74.5 | 171.9 | 0 | 0 | 0 | 112.4 | L15 F21 V26 F30 L39 T46 L47 Y48 Y52 A53 L54 L120 | L15-L50 HydrophobicContact CD1-CD1 4.25Å; L15-L50 HydrophobicContact CD1-CD2 4.2Å; F21-L50 HydrophobicContact CD1-CD2 4.19Å; F21-L50 HydrophobicContact CE1-CD2 4.07Å; V26-L50 HydrophobicContact CB-CD2 4.37Å; V26-L50 HydrophobicContact CG1-CD2 4.23Å; V26-L50 HydrophobicContact CG1-CG 4.47Å; V26-L50 HydrophobicContact CG2-CD2 4.27Å; F30-L50 HydrophobicContact CE2-CD2 3.92Å; F30-L50 HydrophobicContact CE2-CG 4.35Å; F30-L50 HydrophobicContact CZ-CD1 4.01Å; F30-L50 HydrophobicContact CZ-CD2 4.09Å; F30-L50 HydrophobicContact CZ-CG 4.27Å; L39-L50 HydrophobicContact CD1-CD1 3.53Å; T46-L50 WeakPolarHBondContact O-CG 3.35Å; T46-L50 PolarHBondContact O-N 3.08Å; L47-L50 PolarHBondContact O-N 2.87Å; Y48-L50 VanDerWaalsContact C-N 3.32Å; Y48-L50 PolarHBondContact O-N 2.91Å; L50-Y52 VanDerWaalsContact C-N 3.28Å; L50-Y52 PolarHBondContact O-N 3.3Å; L50-A53 PolarHBondContact O-N 3.05Å; L50-L54 WeakPolarHBondContact O-CG 3.26Å; L50-L54 PolarHBondContact O-N 2.91Å; L50-L120 HydrophobicContact CB-CD1 4.47Å; L50-L120 HydrophobicContact CB-CD2 3.49Å; L50-L120 VanDerWaalsContact CB-CD2 3.49Å; L50-L120 HydrophobicContact CD1-CD1 4.21Å |
| 51 | I | 83.5 | Confident | 75.8 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.2 | -44.5 | 174.8 | -66.8 | 169.9 | 0 | 0 | 0 | 109.5 | L47 Y48 L54 I55 F81 Y85 C116 A119 L120 L123 | L47-I51 VanDerWaalsContact O-CG1 3.27Å; L47-I51 WeakPolarHBondContact O-CG1 3.48Å; L47-I51 PolarHBondContact O-N 3.27Å; Y48-I51 PolarHBondContact O-N 3.04Å; I51-L54 PolarHBondContact O-N 3.42Å; I51-I55 HydrophobicContact CG2-CD1 4.1Å; I51-I55 WeakPolarHBondContact O-CG1 3.31Å; I51-I55 PolarHBondContact O-N 2.62Å; I51-F81 HydrophobicContact CB-CZ 4.14Å; I51-F81 HydrophobicContact CG2-CE1 3.87Å; I51-F81 HydrophobicContact CG2-CZ 3.55Å; I51-Y85 HydrophobicContact CG2-CD2 4.36Å; I51-Y85 HydrophobicContact CG2-CE2 3.95Å; I51-C116 HydrophobicContact CD1-CB 4.22Å; I51-A119 HydrophobicContact CD1-CB 3.92Å; I51-A119 HydrophobicContact CG1-CB 4.38Å; I51-L120 HydrophobicContact CB-CD2 4.4Å; I51-L120 HydrophobicContact CG1-CD2 3.55Å; I51-L120 HydrophobicContact CG1-CG 3.8Å; I51-L123 HydrophobicContact CB-CD1 4.14Å; I51-L123 HydrophobicContact CG1-CD1 4.42Å; I51-L123 HydrophobicContact CG2-CD1 3.39Å |
| 52 | Y | 78.2 | Confident | 74.7 | Confident | 50 Ų | 50 | 33.4 Ų | 33.4 | 20% | 0.196 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.8 | -48.1 | 175.8 | 178.4 | -105.4 | 0 | 0 | 0 | 112.1 | A25 Y48 S49 L50 L54 I55 C56 F81 | A25-Y52 HydrophobicContact CB-CD1 4.22Å; A25-Y52 HydrophobicContact CB-CE1 4.32Å; Y48-Y52 WeakPolarHBondContact O-CB 3.04Å; Y48-Y52 PolarHBondContact O-N 3.49Å; S49-Y52 PolarHBondContact O-N 2.9Å; L50-Y52 VanDerWaalsContact C-N 3.28Å; L50-Y52 PolarHBondContact O-N 3.3Å; Y52-L54 VanDerWaalsContact C-N 3.26Å; Y52-L54 PolarHBondContact O-N 3.44Å; Y52-I55 WeakPolarHBondContact O-CB 3.31Å; Y52-I55 PolarHBondContact O-N 3.33Å; Y52-C56 VanDerWaalsContact CE1-SG 3.56Å; Y52-C56 PolarHBondContact O-N 3Å; Y52-C56 PolarHBondContact O-SG 3.28Å; Y52-C56 VanDerWaalsContact O-SG 3.42Å; Y52-F81 HydrophobicContact CD2-CE2 4.09Å; Y52-F81 HydrophobicContact CG-CE2 4.45Å |
| 53 | A | 80.5 | Confident | 73.4 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -56.9 | -40.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | T20 H23 V26 S49 L50 C56 Q57 | T20-A53 HydrophobicContact CG2-CB 3.73Å; H23-A53 HydrophobicContact CB-CB 4.14Å; V26-A53 HydrophobicContact CG1-CB 4.21Å; V26-A53 HydrophobicContact CG2-CB 4.23Å; S49-A53 WeakPolarHBondContact O-CB 3.48Å; S49-A53 PolarHBondContact O-N 3.46Å; L50-A53 PolarHBondContact O-N 3.05Å; A53-C56 PolarHBondContact O-N 2.97Å; A53-Q57 VanDerWaalsContact O-CG 3.31Å; A53-Q57 WeakPolarHBondContact O-CG 3.22Å; A53-Q57 PolarHBondContact O-N 3.07Å |
| 54 | L | 82.2 | Confident | 71.9 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.8 | -42.5 | 173.8 | -72.6 | 171.5 | 0 | 0 | 0 | 112.7 | L15 L18 T20 L50 I51 Y52 C56 Q57 I58 L120 L123 A127 | L15-L54 HydrophobicContact CD2-CD1 3.85Å; L15-L54 HydrophobicContact CD2-CD2 3.77Å; L15-L54 HydrophobicContact CD2-CG 4.01Å; L18-L54 HydrophobicContact CD1-CD2 3.74Å; T20-L54 HydrophobicContact CG2-CD2 4.05Å; T20-L54 HydrophobicContact CG2-CG 4.1Å; L50-L54 WeakPolarHBondContact O-CG 3.26Å; L50-L54 PolarHBondContact O-N 2.91Å; I51-L54 PolarHBondContact O-N 3.42Å; Y52-L54 VanDerWaalsContact C-N 3.26Å; Y52-L54 PolarHBondContact O-N 3.44Å; L54-C56 VanDerWaalsContact C-N 3.33Å; L54-C56 PolarHBondContact O-N 2.69Å; L54-Q57 PolarHBondContact O-N 3.01Å; L54-I58 WeakPolarHBondContact O-CD1 3.41Å; L54-I58 VanDerWaalsContact O-CG1 3.26Å; L54-I58 WeakPolarHBondContact O-CG1 3.42Å; L54-I58 PolarHBondContact O-N 3.13Å; L54-L120 HydrophobicContact CD1-CD2 3.88Å; L54-L123 HydrophobicContact CB-CB 3.98Å; L54-L123 HydrophobicContact CB-CD1 4.31Å; L54-L123 HydrophobicContact CD1-CB 3.52Å; L54-L123 HydrophobicContact CD1-CD1 4.39Å; L54-L123 HydrophobicContact CG-CB 4.35Å; L54-A127 HydrophobicContact CD2-CB 4.1Å |
| 55 | I | 75.7 | Confident | 70.1 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.4 | -44.1 | 176.6 | -67.7 | 166.2 | 0 | 0 | 0 | 110.4 | I51 Y52 Q57 I58 Q59 F81 F84 Y85 W88 L123 | I51-I55 HydrophobicContact CG2-CD1 4.1Å; I51-I55 WeakPolarHBondContact O-CG1 3.31Å; I51-I55 PolarHBondContact O-N 2.62Å; Y52-I55 WeakPolarHBondContact O-CB 3.31Å; Y52-I55 PolarHBondContact O-N 3.33Å; I55-Q57 VanDerWaalsContact C-N 3.34Å; I55-Q57 PolarHBondContact O-N 3.48Å; I55-I58 PolarHBondContact O-N 2.9Å; I55-Q59 HydrophobicContact CG2-CG 4.35Å; I55-Q59 WeakPolarHBondContact O-CB 3.47Å; I55-Q59 WeakPolarHBondContact O-CG 3.36Å; I55-Q59 PolarHBondContact O-N 3.26Å; I55-F81 HydrophobicContact CD1-CE2 4.49Å; I55-F81 HydrophobicContact CD1-CZ 4.05Å; I55-F84 HydrophobicContact CD1-CE1 4.1Å; I55-F84 HydrophobicContact CG2-CE1 4.1Å; I55-F84 HydrophobicContact CG2-CZ 4.07Å; I55-Y85 HydrophobicContact CD1-CD2 3.71Å; I55-Y85 HydrophobicContact CD1-CE2 4.01Å; I55-W88 HydrophobicContact CD1-CD2 4.47Å; I55-W88 HydrophobicContact CD1-CE3 4.24Å; I55-W88 HydrophobicContact CG1-CD2 4.34Å; I55-W88 HydrophobicContact CG1-CE3 4.28Å; I55-W88 HydrophobicContact CG1-CH2 4.23Å; I55-W88 HydrophobicContact CG1-CZ2 4.25Å; I55-W88 HydrophobicContact CG1-CZ3 4.23Å; I55-W88 HydrophobicContact CG2-CD2 4.17Å; I55-W88 HydrophobicContact CG2-CG 4.29Å; I55-W88 HydrophobicContact CG2-CZ2 4.41Å; I55-L123 HydrophobicContact CG1-CD1 4.24Å; I55-L123 HydrophobicContact CG1-CD2 4.36Å |
| 56 | C | 72.9 | Confident | 68 | Low | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.02 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.6 | -44.6 | 175.3 | -66.7 | 0 | 0 | 0 | 0 | 111.7 | Y52 A53 L54 I58 Q59 M60 L61 | Y52-C56 VanDerWaalsContact CE1-SG 3.56Å; Y52-C56 PolarHBondContact O-N 3Å; Y52-C56 PolarHBondContact O-SG 3.28Å; Y52-C56 VanDerWaalsContact O-SG 3.42Å; A53-C56 PolarHBondContact O-N 2.97Å; L54-C56 VanDerWaalsContact C-N 3.33Å; L54-C56 PolarHBondContact O-N 2.69Å; C56-I58 VanDerWaalsContact C-N 3.32Å; C56-I58 PolarHBondContact O-N 2.84Å; C56-Q59 CarbonylContact O-C 3.49Å; C56-Q59 PolarHBondContact O-N 3.4Å; C56-M60 WeakPolarHBondContact O-CA 3.42Å; C56-M60 PolarHBondContact O-N 3.09Å; C56-L61 HydrophobicContact CB-CB 4.21Å; C56-L61 PolarHBondContact O-N 3.28Å |
| 57 | Q | 73.6 | Confident | 65.7 | Low | 52 Ų | 52 | 47.3 Ų | 47.3 | 24% | 0.243 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62 | -38.2 | 175.6 | -73.4 | -179.6 | -30.7 | 0 | 0 | 112.6 | L18 T20 A53 L54 I55 | L18-Q57 PolarHBondContact O-NE2 3.49Å; T20-Q57 PolarHBondContact OG1-OE1 3.26Å; A53-Q57 VanDerWaalsContact O-CG 3.31Å; A53-Q57 WeakPolarHBondContact O-CG 3.22Å; A53-Q57 PolarHBondContact O-N 3.07Å; L54-Q57 PolarHBondContact O-N 3.01Å; I55-Q57 VanDerWaalsContact C-N 3.34Å; I55-Q57 PolarHBondContact O-N 3.48Å |
| 58 | I | 70.9 | Confident | 63.5 | Low | 7 Ų | 7 | 50.2 Ų | 50.2 | 4% | 0.036 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.8 | -44.9 | 176.9 | -68.9 | 160.5 | 0 | 0 | 0 | 110.6 | L54 I55 C56 W88 L123 L126 A127 N130 K134 | L54-I58 WeakPolarHBondContact O-CD1 3.41Å; L54-I58 VanDerWaalsContact O-CG1 3.26Å; L54-I58 WeakPolarHBondContact O-CG1 3.42Å; L54-I58 PolarHBondContact O-N 3.13Å; I55-I58 PolarHBondContact O-N 2.9Å; C56-I58 VanDerWaalsContact C-N 3.32Å; C56-I58 PolarHBondContact O-N 2.84Å; I58-W88 HydrophobicContact CD1-CH2 4.26Å; I58-W88 HydrophobicContact CD1-CZ2 4.16Å; I58-W88 HydrophobicContact CG2-CZ2 4.24Å; I58-L123 HydrophobicContact CD1-CD2 3.86Å; I58-L126 HydrophobicContact CD1-CB 4.28Å; I58-L126 HydrophobicContact CD1-CD2 3.93Å; I58-L126 HydrophobicContact CD1-CG 4.06Å; I58-A127 HydrophobicContact CD1-CB 4.27Å; I58-A127 HydrophobicContact CG1-CB 3.84Å; I58-N130 WeakPolarHBondContact CA-ND2 3.38Å; I58-N130 PolarHBondContact O-ND2 3.14Å; I58-K134 PolarHBondContact O-NZ 3.4Å |
| 59 | Q | 66.6 | Low | 62 | Low | 43 Ų | 43 | 55.3 Ų | 55.3 | 20% | 0.201 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -87.5 | -4.2 | -173.8 | -66.6 | -71.7 | -51.5 | 0 | 0 | 114.5 | I55 C56 L61 W88 | I55-Q59 HydrophobicContact CG2-CG 4.35Å; I55-Q59 WeakPolarHBondContact O-CB 3.47Å; I55-Q59 WeakPolarHBondContact O-CG 3.36Å; I55-Q59 PolarHBondContact O-N 3.26Å; C56-Q59 CarbonylContact O-C 3.49Å; C56-Q59 PolarHBondContact O-N 3.4Å; Q59-L61 HydrophobicContact CB-CD1 3.98Å; Q59-L61 HydrophobicContact CB-CD2 4.36Å; Q59-L61 HydrophobicContact CB-CG 3.68Å; Q59-L61 PolarHBondContact O-N 2.82Å; Q59-W88 VanDerWaalsContact NE2-NE1 3.15Å |
| 60 | M | 61.7 | Low | 60.9 | Low | 83 Ų | 83 | 58.7 Ų | 58.7 | 41% | 0.409 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 34.2 | -171.8 | -61.2 | 165.2 | 138.7 | 0 | 0 | 112.9 | C56 Q62 K134 F148 | C56-M60 WeakPolarHBondContact O-CA 3.42Å; C56-M60 PolarHBondContact O-N 3.09Å; M60-Q62 PolarHBondContact O-N 3.02Å; M60-Q62 VanDerWaalsContact O-N 3.14Å; M60-K134 HydrophobicContact CE-CD 3.55Å; M60-K134 VanDerWaalsContact CE-CE 3.41Å; M60-K134 HydrophobicContact CE-CG 4.47Å; M60-K134 HydrophobicContact SD-CD 4.48Å; M60-K134 PolarHBondContact SD-NZ 3.42Å; M60-F148 HydrophobicContact SD-CB 3.89Å |
| 61 | L | 60.3 | Low | 59.5 | Low | 86 Ų | 86 | 61.5 Ų | 61.5 | 45% | 0.45 | 34% | 0.339 | S | S | . | . | trans | -70.8 | 115.8 | 175.8 | -63.1 | 172.7 | 0 | 0 | 0 | 108.1 | C56 Q59 | C56-L61 HydrophobicContact CB-CB 4.21Å; C56-L61 PolarHBondContact O-N 3.28Å; Q59-L61 HydrophobicContact CB-CD1 3.98Å; Q59-L61 HydrophobicContact CB-CD2 4.36Å; Q59-L61 HydrophobicContact CB-CG 3.68Å; Q59-L61 PolarHBondContact O-N 2.82Å | ||
| 62 | Q | 51.8 | Low | 58.4 | Low | 130 Ų | 130 | 61.6 Ų | 61.6 | 61% | 0.607 | 34% | 0.339 | S | S | * | . | trans | -56.6 | 130 | 165.6 | -79.1 | -82.3 | -13.3 | 0 | 0 | 107.6 | M60 E64 Q65 | M60-Q62 PolarHBondContact O-N 3.02Å; M60-Q62 VanDerWaalsContact O-N 3.14Å; Q62-E64 PolarHBondContact O-N 2.91Å; Q62-E64 VanDerWaalsContact O-N 3.13Å; Q62-Q65 HydrophobicContact CB-CG 4.42Å | ||
| 63 | P | 50.5 | Low | 57.4 | Low | 36 Ų | 36 | 64.2 Ų | 64.2 | 23% | 0.234 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -39.3 | 178.2 | 5.3 | -12 | 0 | 0 | 0 | 110.1 | P24 Q65 F69 | P24-P63 HydrophobicContact CG-CB 4.47Å; P24-P63 HydrophobicContact CG-CG 4.08Å; P63-Q65 PolarHBondContact O-N 3.03Å; P63-Q65 VanDerWaalsContact O-N 3.16Å; P63-F69 HydrophobicContact CB-CE1 3.9Å; P63-F69 HydrophobicContact CB-CZ 4.36Å; P63-F69 WeakPolarHBondContact O-CE1 3.49Å; P63-F69 WeakPolarHBondContact O-CZ 3.49Å |
| 64 | E | 45.4 | Very low | 56.8 | Low | 167 Ų | 167 | 66.4 Ų | 66.4 | 78% | 0.78 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | 4.9 | -165.2 | -59.7 | -169.6 | 158.9 | 0 | 0 | 118 | Q62 G66 | Q62-E64 PolarHBondContact O-N 2.91Å; Q62-E64 VanDerWaalsContact O-N 3.13Å; E64-G66 PolarHBondContact O-N 3.46Å |
| 65 | Q | 39.5 | Very low | 56.1 | Low | 166 Ų | 166 | 76.3 Ų | 76.3 | 78% | 0.776 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -93.2 | 80.5 | -178.5 | -65.8 | -169.6 | 0.3 | 0 | 0 | 113.6 | Q62 P63 A67 | Q62-Q65 HydrophobicContact CB-CG 4.42Å; P63-Q65 PolarHBondContact O-N 3.03Å; P63-Q65 VanDerWaalsContact O-N 3.16Å; Q65-A67 PolarHBondContact O-N 3.02Å; Q65-A67 VanDerWaalsContact O-N 3.08Å |
| 66 | G | 28.8 | Very low | 56.2 | Low | 79 Ų | 79 | 83.5 Ų | 83.5 | 81% | 0.814 | 45% | 0.445 | S | S | * | . | S | Bend | 75.1 | 2.9 | 125.7 | 0 | 0 | 0 | 0 | 0 | 121.7 | E64 | E64-G66 PolarHBondContact O-N 3.46Š| |
| 67 | A | 30.6 | Very low | 56 | Low | 85 Ų | 85 | 85 Ų | 85 | 70% | 0.702 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -155.1 | 100.3 | 171 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q65 | Q65-A67 PolarHBondContact O-N 3.02Å; Q65-A67 VanDerWaalsContact O-N 3.08Å |
| 68 | A | 37.7 | Very low | 55.7 | Low | 61 Ų | 61 | 84.6 Ų | 84.6 | 50% | 0.504 | 45% | 0.449 | S | S | . | . | trans | 57.5 | 78.8 | 163.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | W70 | A68-W70 PolarHBondContact O-N 3.15Š| ||
| 69 | F | 48.4 | Very low | 55.9 | Low | 109 Ų | 109 | 88.8 Ų | 88.8 | 48% | 0.478 | 48% | 0.475 | S | S | . | . | trans | -60.4 | 101.7 | 154.3 | -63.2 | -91.5 | 0 | 0 | 0 | 108.6 | P63 P71 | P63-F69 HydrophobicContact CB-CE1 3.9Å; P63-F69 HydrophobicContact CB-CZ 4.36Å; P63-F69 WeakPolarHBondContact O-CE1 3.49Å; P63-F69 WeakPolarHBondContact O-CZ 3.49Å; F69-P71 WeakPolarHBondContact O-CD 3.35Å | ||
| 70 | W | 56.2 | Low | 56.2 | Low | 75 Ų | 75 | 91.2 Ų | 91.2 | 28% | 0.284 | 49% | 0.485 | S | S | . | . | trans | -88.3 | 101.3 | 172 | -86.6 | -42.7 | 0 | 0 | 0 | 109.3 | A68 I72 E77 K80 | A68-W70 PolarHBondContact O-N 3.15Å; W70-I72 VanDerWaalsContact C-N 3.32Å; W70-I72 HydrophobicContact CB-CG1 4.22Å; W70-I72 PolarHBondContact O-N 3.43Å; W70-I72 VanDerWaalsContact O-N 3.16Å; W70-E77 HydrophobicContact CD2-CB 4.43Å; W70-E77 HydrophobicContact CD2-CG 4.48Å; W70-E77 HydrophobicContact CG-CB 4.34Å; W70-E77 HydrophobicContact CG-CG 4.31Å; W70-E77 PolarHBondContact NE1-OE1 3.34Å; W70-K80 HydrophobicContact CH2-CB 3.48Å; W70-K80 VanDerWaalsContact CH2-CB 3.48Å; W70-K80 HydrophobicContact CH2-CD 3.33Å; W70-K80 HydrophobicContact CH2-CG 4.04Å; W70-K80 HydrophobicContact CZ2-CB 4.11Å; W70-K80 HydrophobicContact CZ2-CD 3.32Å; W70-K80 HydrophobicContact CZ2-CG 4.38Å; W70-K80 HydrophobicContact CZ3-CB 3.79Å; W70-K80 HydrophobicContact CZ3-CD 4.42Å | ||
| 71 | P | 54 | Low | 56.8 | Low | 59 Ų | 59 | 87.5 Ų | 87.5 | 38% | 0.383 | 47% | 0.467 | S | S | . | . | trans | -59.4 | 114 | 134.4 | 30.6 | -28 | 0 | 0 | 0 | 104.6 | F69 V73 | F69-P71 WeakPolarHBondContact O-CD 3.35Å; P71-V73 VanDerWaalsContact C-N 3.32Å; P71-V73 HydrophobicContact CB-CG1 3.97Å; P71-V73 HydrophobicContact CG-CG1 4.28Å; P71-V73 PolarHBondContact O-N 3.12Å | ||
| 72 | I | 60.5 | Low | 57.4 | Low | 2 Ų | 2 | 84.4 Ų | 84.4 | 1% | 0.01 | 45% | 0.451 | C | S | . | . | trans | -69 | 98.2 | 177.2 | -59.3 | -150.8 | 0 | 0 | 0 | 106.1 | P45 Y48 W70 E77 E78 F81 | P45-I72 VanDerWaalsContact CA-O 3.23Å; P45-I72 WeakPolarHBondContact CA-O 3.41Å; P45-I72 WeakPolarHBondContact CB-O 3.36Å; P45-I72 WeakPolarHBondContact CG-O 3.4Å; Y48-I72 VanDerWaalsContact CB-CD1 3.42Å; Y48-I72 HydrophobicContact CD1-CD1 3.87Å; Y48-I72 HydrophobicContact CD2-CD1 4.29Å; Y48-I72 HydrophobicContact CD2-CG2 4.18Å; Y48-I72 HydrophobicContact CG-CD1 3.64Å; Y48-I72 HydrophobicContact CG-CG1 4.4Å; Y48-I72 HydrophobicContact CG-CG2 4.46Å; W70-I72 VanDerWaalsContact C-N 3.32Å; W70-I72 HydrophobicContact CB-CG1 4.22Å; W70-I72 PolarHBondContact O-N 3.43Å; W70-I72 VanDerWaalsContact O-N 3.16Å; I72-E77 HydrophobicContact CG2-CB 4.1Å; I72-E78 HydrophobicContact CG2-CB 4.2Å; I72-E78 HydrophobicContact CG2-CG 3.31Å; I72-F81 HydrophobicContact CD1-CB 3.3Å; I72-F81 HydrophobicContact CD1-CD1 4.11Å; I72-F81 HydrophobicContact CD1-CD2 3.77Å; I72-F81 HydrophobicContact CD1-CG 3.44Å; I72-F81 VanDerWaalsContact CD1-CG 3.44Å | ||
| 73 | V | 57.6 | Low | 58.4 | Low | 106 Ų | 106 | 81.1 Ų | 81.1 | 64% | 0.642 | 44% | 0.442 | S | S | * | . | trans | -109.1 | -6.5 | -175.7 | -67.5 | 0 | 0 | 0 | 0 | 112.1 | P71 E77 | P71-V73 VanDerWaalsContact C-N 3.32Å; P71-V73 HydrophobicContact CB-CG1 3.97Å; P71-V73 HydrophobicContact CG-CG1 4.28Å; P71-V73 PolarHBondContact O-N 3.12Å; V73-E77 WeakPolarHBondContact CG2-OE2 3.24Å; V73-E77 PolarHBondContact N-OE2 2.98Å | ||
| 74 | S | 67.4 | Low | 59.6 | Low | 46 Ų | 46 | 83 Ų | 83 | 32% | 0.322 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -140.3 | 155.5 | -179.1 | 70.2 | 0 | 0 | 0 | 0 | 113.6 | K76 E77 E78 | S74-K76 PolarHBondContact O-N 2.93Å; S74-K76 VanDerWaalsContact O-N 3.17Å; S74-E77 PolarHBondContact N-OE2 3.04Å; S74-E77 WeakPolarHBondContact O-CB 3.43Å; S74-E77 PolarHBondContact O-N 2.86Å; S74-E77 VanDerWaalsContact OG-CD 3.25Å; S74-E77 VanDerWaalsContact OG-CG 3.24Å; S74-E77 WeakPolarHBondContact OG-CG 3.32Å; S74-E77 PolarHBondContact OG-N 3.36Å; S74-E77 PolarHBondContact OG-OE2 2.92Å; S74-E78 PolarHBondContact O-N 3.1Å |
| 75 | R | 68.5 | Low | 61 | Low | 207 Ų | 207 | 75.4 Ų | 75.4 | 78% | 0.781 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -57.4 | -30 | 174.3 | -167.5 | 173.9 | -176.2 | 175 | 1.3 | 113.2 | E77 E78 V79 | R75-E77 VanDerWaalsContact C-N 3.32Å; R75-E78 PolarHBondContact O-N 3.48Å; R75-V79 WeakPolarHBondContact O-CG2 3.4Å; R75-V79 PolarHBondContact O-N 3.41Å; R75-V79 VanDerWaalsContact O-N 3.09Å |
| 76 | K | 77 | Confident | 62.6 | Low | 151 Ų | 151 | 75.2 Ų | 75.2 | 66% | 0.657 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -66 | -37.6 | 175.8 | -174.3 | 178 | -178.8 | 179.1 | 0 | 111.2 | S74 K80 | S74-K76 PolarHBondContact O-N 2.93Å; S74-K76 VanDerWaalsContact O-N 3.17Å; K76-K80 WeakPolarHBondContact O-CG 3.16Å; K76-K80 PolarHBondContact O-N 3.16Å |
| 77 | E | 68.5 | Low | 64.7 | Low | 35 Ų | 35 | 77.6 Ų | 77.6 | 16% | 0.164 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -75.9 | -37.6 | 178.1 | -62.9 | 165.7 | 142.7 | 0 | 0 | 110.9 | W70 I72 V73 S74 R75 V79 K80 F81 | W70-E77 HydrophobicContact CD2-CB 4.43Å; W70-E77 HydrophobicContact CD2-CG 4.48Å; W70-E77 HydrophobicContact CG-CB 4.34Å; W70-E77 HydrophobicContact CG-CG 4.31Å; W70-E77 PolarHBondContact NE1-OE1 3.34Å; I72-E77 HydrophobicContact CG2-CB 4.1Å; V73-E77 WeakPolarHBondContact CG2-OE2 3.24Å; V73-E77 PolarHBondContact N-OE2 2.98Å; S74-E77 PolarHBondContact N-OE2 3.04Å; S74-E77 WeakPolarHBondContact O-CB 3.43Å; S74-E77 PolarHBondContact O-N 2.86Å; S74-E77 VanDerWaalsContact OG-CD 3.25Å; S74-E77 VanDerWaalsContact OG-CG 3.24Å; S74-E77 WeakPolarHBondContact OG-CG 3.32Å; S74-E77 PolarHBondContact OG-N 3.36Å; S74-E77 PolarHBondContact OG-OE2 2.92Å; R75-E77 VanDerWaalsContact C-N 3.32Å; E77-V79 VanDerWaalsContact C-N 3.32Å; E77-V79 PolarHBondContact O-N 2.98Å; E77-K80 PolarHBondContact O-N 3.12Å; E77-F81 WeakPolarHBondContact O-CB 3.27Å; E77-F81 PolarHBondContact O-N 3.43Å |
| 78 | E | 68.6 | Low | 66.7 | Low | 43 Ų | 43 | 74.4 Ų | 74.4 | 20% | 0.201 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -56.3 | -46 | 171.5 | -69.1 | 178.7 | 169.6 | 0 | 0 | 111.6 | Y48 I72 S74 R75 F81 N82 | Y48-E78 HydrophobicContact CD2-CG 4.1Å; Y48-E78 HydrophobicContact CE2-CB 4.28Å; Y48-E78 HydrophobicContact CE2-CG 3.66Å; I72-E78 HydrophobicContact CG2-CB 4.2Å; I72-E78 HydrophobicContact CG2-CG 3.31Å; S74-E78 PolarHBondContact O-N 3.1Å; R75-E78 PolarHBondContact O-N 3.48Å; E78-F81 PolarHBondContact O-N 3.41Å; E78-N82 WeakPolarHBondContact O-CB 3.33Å; E78-N82 PolarHBondContact O-N 2.84Å; E78-N82 PolarHBondContact O-ND2 3.3Å |
| 79 | V | 74.2 | Confident | 68.4 | Low | 95 Ų | 95 | 72.9 Ų | 72.9 | 58% | 0.576 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -63.9 | -42.7 | 178.5 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | R75 E77 N82 S83 | R75-V79 WeakPolarHBondContact O-CG2 3.4Å; R75-V79 PolarHBondContact O-N 3.41Å; R75-V79 VanDerWaalsContact O-N 3.09Å; E77-V79 VanDerWaalsContact C-N 3.32Å; E77-V79 PolarHBondContact O-N 2.98Å; V79-N82 PolarHBondContact O-N 2.87Å; V79-S83 PolarHBondContact O-N 3.06Å |
| 80 | K | 73.1 | Confident | 69.5 | Low | 95 Ų | 95 | 69.3 Ų | 69.3 | 41% | 0.413 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.4 | -42.1 | 176.5 | -71.9 | -179.2 | -179.6 | -171.1 | 0 | 111.7 | W70 K76 E77 S83 F84 | W70-K80 HydrophobicContact CH2-CB 3.48Å; W70-K80 VanDerWaalsContact CH2-CB 3.48Å; W70-K80 HydrophobicContact CH2-CD 3.33Å; W70-K80 HydrophobicContact CH2-CG 4.04Å; W70-K80 HydrophobicContact CZ2-CB 4.11Å; W70-K80 HydrophobicContact CZ2-CD 3.32Å; W70-K80 HydrophobicContact CZ2-CG 4.38Å; W70-K80 HydrophobicContact CZ3-CB 3.79Å; W70-K80 HydrophobicContact CZ3-CD 4.42Å; K76-K80 WeakPolarHBondContact O-CG 3.16Å; K76-K80 PolarHBondContact O-N 3.16Å; E77-K80 PolarHBondContact O-N 3.12Å; K80-S83 WeakPolarHBondContact O-CB 3.31Å; K80-S83 PolarHBondContact O-N 3.33Å; K80-F84 PolarHBondContact O-N 3.27Å |
| 81 | F | 73.7 | Confident | 70.1 | Confident | 5 Ų | 5 | 69.3 Ų | 69.3 | 2% | 0.022 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.3 | -45.1 | 175.7 | -178.4 | -90.7 | 0 | 0 | 0 | 111.7 | Y48 I51 Y52 I55 I72 E77 E78 S83 F84 Y85 I110 | Y48-F81 AromaticContact CD1-CD1 3.32Å; Y48-F81 HydrophobicContact CD1-CD1 3.32Å; Y48-F81 AromaticContact CD1-CE1 3.54Å; Y48-F81 HydrophobicContact CD1-CE1 3.54Å; Y48-F81 HydrophobicContact CD1-CG 4.1Å; Y48-F81 HydrophobicContact CD1-CZ 4.44Å; Y48-F81 AromaticContact CE1-CD1 3.58Å; Y48-F81 HydrophobicContact CE1-CD1 3.58Å; Y48-F81 HydrophobicContact CE1-CE1 4.02Å; Y48-F81 HydrophobicContact CG-CD1 4.46Å; I51-F81 HydrophobicContact CB-CZ 4.14Å; I51-F81 HydrophobicContact CG2-CE1 3.87Å; I51-F81 HydrophobicContact CG2-CZ 3.55Å; Y52-F81 HydrophobicContact CD2-CE2 4.09Å; Y52-F81 HydrophobicContact CG-CE2 4.45Å; I55-F81 HydrophobicContact CD1-CE2 4.49Å; I55-F81 HydrophobicContact CD1-CZ 4.05Å; I72-F81 HydrophobicContact CD1-CB 3.3Å; I72-F81 HydrophobicContact CD1-CD1 4.11Å; I72-F81 HydrophobicContact CD1-CD2 3.77Å; I72-F81 HydrophobicContact CD1-CG 3.44Å; I72-F81 VanDerWaalsContact CD1-CG 3.44Å; E77-F81 WeakPolarHBondContact O-CB 3.27Å; E77-F81 PolarHBondContact O-N 3.43Å; E78-F81 PolarHBondContact O-N 3.41Å; F81-S83 PolarHBondContact O-N 3.05Å; F81-F84 HydrophobicContact CD2-CD1 4.38Å; F81-F84 HydrophobicContact CE2-CD1 4.35Å; F81-F84 PolarHBondContact O-N 3.23Å; F81-Y85 HydrophobicContact CE1-CD2 4.2Å; F81-Y85 HydrophobicContact CE1-CG 4.47Å; F81-Y85 HydrophobicContact CZ-CD2 4.38Å; F81-Y85 WeakPolarHBondContact O-CB 3.21Å; F81-Y85 PolarHBondContact O-N 2.76Å; F81-I110 HydrophobicContact CD1-CD1 3.69Å; F81-I110 HydrophobicContact CE1-CD1 3.45Å; F81-I110 VanDerWaalsContact CE1-CD1 3.45Å |
| 82 | N | 72.8 | Confident | 70.6 | Confident | 21 Ų | 21 | 67.2 Ų | 67.2 | 11% | 0.112 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -57 | -39.1 | 174.6 | -87.4 | -75 | 0 | 0 | 0 | 112.2 | Y48 E78 V79 R86 I110 | Y48-N82 PolarHBondContact OH-ND2 3.39Å; E78-N82 WeakPolarHBondContact O-CB 3.33Å; E78-N82 PolarHBondContact O-N 2.84Å; E78-N82 PolarHBondContact O-ND2 3.3Å; V79-N82 PolarHBondContact O-N 2.87Å; N82-R86 VanDerWaalsContact O-CG 3.3Å; N82-R86 WeakPolarHBondContact O-CG 3.44Å; N82-R86 PolarHBondContact O-N 2.8Å; N82-R86 VanDerWaalsContact O-N 3.09Å; N82-I110 WeakPolarHBondContact OD1-CG1 3.03Å |
| 83 | S | 73.7 | Confident | 70.9 | Confident | 61 Ų | 61 | 71.6 Ų | 71.6 | 43% | 0.427 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.9 | -50.5 | 174.9 | -172.2 | 0 | 0 | 0 | 0 | 111.9 | V79 K80 F81 Y85 R86 Q87 | V79-S83 PolarHBondContact O-N 3.06Å; K80-S83 WeakPolarHBondContact O-CB 3.31Å; K80-S83 PolarHBondContact O-N 3.33Å; F81-S83 PolarHBondContact O-N 3.05Å; S83-Y85 VanDerWaalsContact C-N 3.29Å; S83-Y85 PolarHBondContact O-N 3.18Å; S83-R86 PolarHBondContact O-N 3.35Å; S83-Q87 WeakPolarHBondContact O-CG 3.5Å; S83-Q87 PolarHBondContact O-N 2.82Å; S83-Q87 VanDerWaalsContact O-N 3.13Å |
| 84 | F | 75.9 | Confident | 71.4 | Confident | 75 Ų | 75 | 74.8 Ų | 74.8 | 33% | 0.329 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -55.1 | -47.3 | 175.3 | 163.1 | -100.9 | 0 | 0 | 0 | 111.1 | I55 K80 F81 R86 Q87 W88 | I55-F84 HydrophobicContact CD1-CE1 4.1Å; I55-F84 HydrophobicContact CG2-CE1 4.1Å; I55-F84 HydrophobicContact CG2-CZ 4.07Å; K80-F84 PolarHBondContact O-N 3.27Å; F81-F84 HydrophobicContact CD2-CD1 4.38Å; F81-F84 HydrophobicContact CE2-CD1 4.35Å; F81-F84 PolarHBondContact O-N 3.23Å; F84-R86 PolarHBondContact O-N 3.46Å; F84-Q87 WeakPolarHBondContact O-CB 3.15Å; F84-Q87 PolarHBondContact O-N 3.36Å; F84-W88 HydrophobicContact CZ-CB 4.41Å; F84-W88 WeakPolarHBondContact O-CB 3.2Å; F84-W88 PolarHBondContact O-N 2.91Å |
| 85 | Y | 73.5 | Confident | 71.2 | Confident | 8 Ų | 8 | 79.6 Ų | 79.6 | 3% | 0.031 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59 | -45.8 | -179 | -176.4 | -102.9 | 0 | 0 | 0 | 112.9 | I51 I55 F81 S83 Q87 W88 H89 W107 I110 A119 L123 | I51-Y85 HydrophobicContact CG2-CD2 4.36Å; I51-Y85 HydrophobicContact CG2-CE2 3.95Å; I55-Y85 HydrophobicContact CD1-CD2 3.71Å; I55-Y85 HydrophobicContact CD1-CE2 4.01Å; F81-Y85 HydrophobicContact CE1-CD2 4.2Å; F81-Y85 HydrophobicContact CE1-CG 4.47Å; F81-Y85 HydrophobicContact CZ-CD2 4.38Å; F81-Y85 WeakPolarHBondContact O-CB 3.21Å; F81-Y85 PolarHBondContact O-N 2.76Å; S83-Y85 VanDerWaalsContact C-N 3.29Å; S83-Y85 PolarHBondContact O-N 3.18Å; Y85-Q87 VanDerWaalsContact C-N 3.34Å; Y85-W88 HydrophobicContact CD2-CE3 4.21Å; Y85-W88 HydrophobicContact CE2-CE3 4.24Å; Y85-W88 HydrophobicContact CE2-CZ3 4.13Å; Y85-W88 PolarHBondContact O-N 3.04Å; Y85-H89 VanDerWaalsContact O-CB 3.3Å; Y85-H89 WeakPolarHBondContact O-CB 3.31Å; Y85-H89 PolarHBondContact O-N 3.24Å; Y85-W107 AromaticContact CE1-CD1 3.95Å; Y85-W107 HydrophobicContact CE1-CD2 4.43Å; Y85-W107 HydrophobicContact CE1-CG 4.42Å; Y85-W107 HydrophobicContact CE1-CZ2 4.49Å; Y85-W107 AromaticContact CE1-NE1 3.94Å; Y85-W107 HydrophobicContact CE2-CZ2 4.2Å; Y85-W107 AromaticContact CZ-CE2 3.57Å; Y85-W107 AromaticContact CZ-CZ2 3.62Å; Y85-W107 AromaticContact CZ-NE1 3.61Å; Y85-W107 WeakPolarHBondContact OH-CZ2 3.25Å; Y85-W107 PolarHBondContact OH-NE1 3.29Å; Y85-I110 HydrophobicContact CD1-CD1 3.96Å; Y85-I110 HydrophobicContact CD2-CD1 4.34Å; Y85-I110 HydrophobicContact CE1-CD1 4.26Å; Y85-I110 HydrophobicContact CE1-CG2 4.13Å; Y85-I110 HydrophobicContact CG-CD1 3.93Å; Y85-A119 WeakPolarHBondContact OH-CB 3.48Å; Y85-L123 HydrophobicContact CE2-CD1 4.29Å |
| 86 | R | 73.8 | Confident | 70.8 | Confident | 161 Ų | 161 | 71.2 Ų | 71.2 | 61% | 0.608 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -63.8 | -41.2 | 176.8 | -73.7 | 175.7 | -167.3 | 172.8 | 3.5 | 111.8 | N82 S83 F84 G90 | N82-R86 VanDerWaalsContact O-CG 3.3Å; N82-R86 WeakPolarHBondContact O-CG 3.44Å; N82-R86 PolarHBondContact O-N 2.8Å; N82-R86 VanDerWaalsContact O-N 3.09Å; S83-R86 PolarHBondContact O-N 3.35Å; F84-R86 PolarHBondContact O-N 3.46Å; R86-G90 PolarHBondContact O-N 3.34Å |
| 87 | Q | 72.3 | Confident | 70 | Confident | 130 Ų | 130 | 67.5 Ų | 67.5 | 61% | 0.607 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -64.3 | -48.1 | 176.5 | -71.2 | 175.7 | -13.9 | 0 | 0 | 111 | S83 F84 Y85 G90 T91 | S83-Q87 WeakPolarHBondContact O-CG 3.5Å; S83-Q87 PolarHBondContact O-N 2.82Å; S83-Q87 VanDerWaalsContact O-N 3.13Å; F84-Q87 WeakPolarHBondContact O-CB 3.15Å; F84-Q87 PolarHBondContact O-N 3.36Å; Y85-Q87 VanDerWaalsContact C-N 3.34Å; Q87-G90 PolarHBondContact O-N 3.03Å; Q87-T91 PolarHBondContact O-N 3.28Å; Q87-T91 VanDerWaalsContact O-N 3.08Å; Q87-T91 PolarHBondContact O-OG1 2.9Å |
| 88 | W | 74.2 | Confident | 69.7 | Low | 17 Ų | 17 | 73.8 Ų | 73.8 | 6% | 0.064 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -58.2 | -49.5 | 176.5 | 171.6 | 78.1 | 0 | 0 | 0 | 111.5 | I55 I58 Q59 F84 Y85 G90 T91 V92 W107 L123 L126 | I55-W88 HydrophobicContact CD1-CD2 4.47Å; I55-W88 HydrophobicContact CD1-CE3 4.24Å; I55-W88 HydrophobicContact CG1-CD2 4.34Å; I55-W88 HydrophobicContact CG1-CE3 4.28Å; I55-W88 HydrophobicContact CG1-CH2 4.23Å; I55-W88 HydrophobicContact CG1-CZ2 4.25Å; I55-W88 HydrophobicContact CG1-CZ3 4.23Å; I55-W88 HydrophobicContact CG2-CD2 4.17Å; I55-W88 HydrophobicContact CG2-CG 4.29Å; I55-W88 HydrophobicContact CG2-CZ2 4.41Å; I58-W88 HydrophobicContact CD1-CH2 4.26Å; I58-W88 HydrophobicContact CD1-CZ2 4.16Å; I58-W88 HydrophobicContact CG2-CZ2 4.24Å; Q59-W88 VanDerWaalsContact NE2-NE1 3.15Å; F84-W88 HydrophobicContact CZ-CB 4.41Å; F84-W88 WeakPolarHBondContact O-CB 3.2Å; F84-W88 PolarHBondContact O-N 2.91Å; Y85-W88 HydrophobicContact CD2-CE3 4.21Å; Y85-W88 HydrophobicContact CE2-CE3 4.24Å; Y85-W88 HydrophobicContact CE2-CZ3 4.13Å; Y85-W88 PolarHBondContact O-N 3.04Å; W88-G90 PolarHBondContact O-N 3.05Å; W88-T91 WeakPolarHBondContact O-CB 3.17Å; W88-T91 PolarHBondContact O-N 3.17Å; W88-T91 VanDerWaalsContact O-N 3.12Å; W88-V92 HydrophobicContact CD2-CG2 4.17Å; W88-V92 HydrophobicContact CG-CG2 4.45Å; W88-V92 HydrophobicContact CZ2-CG2 3.78Å; W88-V92 WeakPolarHBondContact O-CG2 3.23Å; W88-V92 PolarHBondContact O-N 3.45Å; W88-W107 AromaticContact CH2-CH2 3.99Å; W88-W107 HydrophobicContact CH2-CH2 3.99Å; W88-W107 AromaticContact CZ3-CH2 3.6Å; W88-W107 HydrophobicContact CZ3-CH2 3.6Å; W88-W107 HydrophobicContact CZ3-CZ2 4.36Å; W88-W107 HydrophobicContact CZ3-CZ3 4.17Å; W88-L123 HydrophobicContact CH2-CD2 3.31Å; W88-L123 HydrophobicContact CZ2-CD2 4.36Å; W88-L123 HydrophobicContact CZ3-CD2 3.65Å; W88-L126 HydrophobicContact CH2-CD2 4.09Å |
| 89 | H | 72.1 | Confident | 69.5 | Low | 29 Ų | 29 | 76.3 Ų | 76.3 | 13% | 0.134 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -59.7 | -45.9 | 178.2 | 173.5 | -125.7 | 0 | 0 | 0 | 111.9 | Y85 T91 V92 R93 W107 | Y85-H89 VanDerWaalsContact O-CB 3.3Å; Y85-H89 WeakPolarHBondContact O-CB 3.31Å; Y85-H89 PolarHBondContact O-N 3.24Å; H89-T91 PolarHBondContact O-N 3.26Å; H89-V92 PolarHBondContact O-N 3.38Å; H89-R93 WeakPolarHBondContact O-CB 3.42Å; H89-R93 PolarHBondContact O-N 3.32Å; H89-W107 HydrophobicContact CB-CE3 4.46Å; H89-W107 HydrophobicContact CB-CZ3 4.49Å; H89-W107 AromaticContact CD2-CE3 3.07Å; H89-W107 AromaticContact CD2-CZ3 3.21Å; H89-W107 WeakPolarHBondContact CD2-CZ3 3.31Å; H89-W107 AromaticContact CE1-CE3 3.8Å; H89-W107 AromaticContact CG-CE3 3.61Å; H89-W107 AromaticContact CG-CZ3 3.92Å; H89-W107 AromaticContact NE2-CE3 3.25Å; H89-W107 AromaticContact NE2-CZ3 3.79Å |
| 90 | G | 71.2 | Confident | 69 | Low | 35 Ų | 35 | 74 Ų | 74 | 36% | 0.361 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.3 | -30.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | R86 Q87 W88 | R86-G90 PolarHBondContact O-N 3.34Å; Q87-G90 PolarHBondContact O-N 3.03Å; W88-G90 PolarHBondContact O-N 3.05Å |
| 91 | T | 69.3 | Low | 68.4 | Low | 75 Ų | 75 | 70.8 Ų | 70.8 | 46% | 0.46 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -75.6 | -51.8 | 173.5 | -60.3 | 0 | 0 | 0 | 0 | 111.3 | Q87 W88 H89 R93 K94 Y95 | Q87-T91 PolarHBondContact O-N 3.28Å; Q87-T91 VanDerWaalsContact O-N 3.08Å; Q87-T91 PolarHBondContact O-OG1 2.9Å; W88-T91 WeakPolarHBondContact O-CB 3.17Å; W88-T91 PolarHBondContact O-N 3.17Å; W88-T91 VanDerWaalsContact O-N 3.12Å; H89-T91 PolarHBondContact O-N 3.26Å; T91-R93 VanDerWaalsContact C-N 3.32Å; T91-R93 PolarHBondContact O-N 3.15Å; T91-K94 WeakPolarHBondContact O-CB 3.39Å; T91-K94 PolarHBondContact O-N 2.86Å; T91-Y95 HydrophobicContact CG2-CE2 3.96Å; T91-Y95 WeakPolarHBondContact O-CD2 3.4Å; T91-Y95 WeakPolarHBondContact O-CE2 3.34Å |
| 92 | V | 65.3 | Low | 67.9 | Low | 15 Ų | 15 | 74.2 Ų | 74.2 | 9% | 0.091 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.8 | -38.7 | -176.9 | 171.7 | 0 | 0 | 0 | 0 | 112.3 | W88 H89 K94 Y95 L96 L126 | W88-V92 HydrophobicContact CD2-CG2 4.17Å; W88-V92 HydrophobicContact CG-CG2 4.45Å; W88-V92 HydrophobicContact CZ2-CG2 3.78Å; W88-V92 WeakPolarHBondContact O-CG2 3.23Å; W88-V92 PolarHBondContact O-N 3.45Å; H89-V92 PolarHBondContact O-N 3.38Å; V92-K94 PolarHBondContact O-N 3.25Å; V92-K94 VanDerWaalsContact O-N 3.13Å; V92-Y95 PolarHBondContact O-N 2.83Å; V92-L96 HydrophobicContact CG1-CD1 3.84Å; V92-L96 HydrophobicContact CG1-CG 4.16Å; V92-L96 PolarHBondContact O-N 3.47Å; V92-L126 HydrophobicContact CG1-CD2 4.37Å |
| 93 | R | 67.1 | Low | 67.4 | Low | 94 Ų | 94 | 77 Ų | 77 | 36% | 0.355 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -56.1 | -31.6 | 179.1 | -172 | 177 | 174.4 | -171.1 | -5.6 | 113 | H89 T91 Y95 L96 N101 E105 | H89-R93 WeakPolarHBondContact O-CB 3.42Å; H89-R93 PolarHBondContact O-N 3.32Å; T91-R93 VanDerWaalsContact C-N 3.32Å; T91-R93 PolarHBondContact O-N 3.15Å; R93-Y95 PolarHBondContact O-N 3.13Å; R93-L96 PolarHBondContact O-N 3.39Å; R93-N101 VanDerWaalsContact CG-OD1 3.31Å; R93-N101 WeakPolarHBondContact CG-OD1 3.26Å; R93-N101 PolarHBondContact O-OD1 3.4Å; R93-E105 IonicContact CZ-OE1 3.72Å; R93-E105 VanDerWaalsContact NH2-CD 3.31Å; R93-E105 IonicContact NH2-OE1 2.69Å; R93-E105 PolarHBondContact NH2-OE1 2.81Å |
| 94 | K | 67.4 | Low | 66.9 | Low | 173 Ų | 173 | 74.2 Ų | 74.2 | 75% | 0.752 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -67.2 | -21.4 | 178 | -62.8 | 177.3 | -177.5 | 180 | 0 | 113.5 | T91 V92 | T91-K94 WeakPolarHBondContact O-CB 3.39Å; T91-K94 PolarHBondContact O-N 2.86Å; V92-K94 PolarHBondContact O-N 3.25Å; V92-K94 VanDerWaalsContact O-N 3.13Å |
| 95 | Y | 63.5 | Low | 66 | Low | 147 Ų | 147 | 75.6 Ų | 75.6 | 58% | 0.576 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -103.6 | -4 | -176.8 | -60.1 | -76 | 0 | 0 | 0 | 113.1 | T91 V92 R93 L147 | T91-Y95 HydrophobicContact CG2-CE2 3.96Å; T91-Y95 WeakPolarHBondContact O-CD2 3.4Å; T91-Y95 WeakPolarHBondContact O-CE2 3.34Å; V92-Y95 PolarHBondContact O-N 2.83Å; R93-Y95 PolarHBondContact O-N 3.13Å; Y95-L147 HydrophobicContact CD1-CD2 4.39Å; Y95-L147 HydrophobicContact CG-CD2 4.14Å |
| 96 | L | 59.8 | Low | 65.3 | Low | 30 Ų | 30 | 80.2 Ų | 80.2 | 16% | 0.157 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -88.6 | 141.7 | -178.9 | -73.6 | 170.8 | 0 | 0 | 0 | 111 | V92 R93 L100 L104 L126 | V92-L96 HydrophobicContact CG1-CD1 3.84Å; V92-L96 HydrophobicContact CG1-CG 4.16Å; V92-L96 PolarHBondContact O-N 3.47Å; R93-L96 PolarHBondContact O-N 3.39Å; L96-L100 HydrophobicContact CB-CB 4.37Å; L96-L100 HydrophobicContact CD2-CD1 4.07Å; L96-L104 HydrophobicContact CD1-CD1 3.1Å; L96-L104 HydrophobicContact CD1-CG 4.36Å; L96-L126 HydrophobicContact CD1-CD1 4.45Å; L96-L126 HydrophobicContact CD2-CD1 3.92Å |
| 97 | P | 60.5 | Low | 64.9 | Low | 73 Ų | 73 | 74 Ų | 74 | 47% | 0.474 | 38% | 0.382 | S | S | . | . | trans | -49.1 | 143.6 | 167.4 | -26.5 | 32.7 | 0 | 0 | 0 | 111.2 | S99 L100 N101 | P97-S99 PolarHBondContact O-N 2.77Å; P97-S99 VanDerWaalsContact O-N 3.13Å; P97-L100 HydrophobicContact CG-CD1 4.39Å; P97-L100 WeakPolarHBondContact O-CA 3.45Å; P97-L100 PolarHBondContact O-N 3.25Å; P97-N101 PolarHBondContact O-N 3.34Å; P97-N101 VanDerWaalsContact O-N 3.17Å | ||
| 98 | E | 62.2 | Low | 64.1 | Low | 168 Ų | 168 | 69.2 Ų | 69.2 | 79% | 0.785 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -57 | -32 | 179.7 | -164.9 | 168.8 | -165 | 0 | 0 | 112.5 | L100 N101 | E98-L100 PolarHBondContact O-N 2.89Å; E98-N101 WeakPolarHBondContact O-CB 3.24Å; E98-N101 PolarHBondContact O-N 2.86Å |
| 99 | S | 63.5 | Low | 63.5 | Low | 95 Ų | 95 | 71.2 Ų | 71.2 | 66% | 0.664 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -62.3 | -24.3 | 172.8 | 57.1 | 0 | 0 | 0 | 0 | 114.5 | P97 S102 | P97-S99 PolarHBondContact O-N 2.77Å; P97-S99 VanDerWaalsContact O-N 3.13Å; S99-S102 PolarHBondContact O-OG 2.75Å |
| 100 | L | 63.4 | Low | 63.5 | Low | 47 Ų | 47 | 69.9 Ų | 69.9 | 25% | 0.246 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -95.4 | -14.5 | 173.8 | -67.3 | -179.3 | 0 | 0 | 0 | 112.5 | L96 P97 E98 S102 F103 L104 L129 | L96-L100 HydrophobicContact CB-CB 4.37Å; L96-L100 HydrophobicContact CD2-CD1 4.07Å; P97-L100 HydrophobicContact CG-CD1 4.39Å; P97-L100 WeakPolarHBondContact O-CA 3.45Å; P97-L100 PolarHBondContact O-N 3.25Å; E98-L100 PolarHBondContact O-N 2.89Å; L100-S102 VanDerWaalsContact C-N 3.35Å; L100-F103 WeakPolarHBondContact O-CB 3.36Å; L100-F103 PolarHBondContact O-N 3.49Å; L100-L104 PolarHBondContact O-N 3.27Å; L100-L129 HydrophobicContact CD1-CD1 4.16Å; L100-L129 HydrophobicContact CD2-CD1 4.26Å |
| 101 | N | 61.5 | Low | 63.5 | Low | 28 Ų | 28 | 72 Ų | 72 | 15% | 0.15 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.7 | -42.3 | 175.6 | -77.2 | -27.9 | 0 | 0 | 0 | 111 | R93 P97 E98 F103 L104 E105 | R93-N101 VanDerWaalsContact CG-OD1 3.31Å; R93-N101 WeakPolarHBondContact CG-OD1 3.26Å; R93-N101 PolarHBondContact O-OD1 3.4Å; P97-N101 PolarHBondContact O-N 3.34Å; P97-N101 VanDerWaalsContact O-N 3.17Å; E98-N101 WeakPolarHBondContact O-CB 3.24Å; E98-N101 PolarHBondContact O-N 2.86Å; N101-F103 VanDerWaalsContact C-N 3.27Å; N101-F103 PolarHBondContact O-N 3.36Å; N101-L104 CarbonylContact O-C 3.59Å; N101-L104 PolarHBondContact O-N 3.16Å; N101-E105 WeakPolarHBondContact O-CA 3.25Å; N101-E105 VanDerWaalsContact O-CB 3.25Å; N101-E105 WeakPolarHBondContact O-CB 3.39Å; N101-E105 WeakPolarHBondContact O-CG 3.18Å; N101-E105 PolarHBondContact O-N 3.42Å |
| 102 | S | 62.5 | Low | 63.8 | Low | 77 Ų | 77 | 70.6 Ų | 70.6 | 54% | 0.538 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.7 | -37.8 | 175 | 62.4 | 0 | 0 | 0 | 0 | 112.5 | S99 L100 L104 E105 | S99-S102 PolarHBondContact O-OG 2.75Å; L100-S102 VanDerWaalsContact C-N 3.35Å; S102-L104 PolarHBondContact O-N 3.01Å; S102-E105 PolarHBondContact O-N 3.46Å |
| 103 | F | 63.3 | Low | 64.3 | Low | 79 Ų | 79 | 72.9 Ų | 72.9 | 35% | 0.346 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.8 | -28.7 | 176.3 | -177.5 | -101 | 0 | 0 | 0 | 112.7 | L100 N101 R122 I125 | L100-F103 WeakPolarHBondContact O-CB 3.36Å; L100-F103 PolarHBondContact O-N 3.49Å; N101-F103 VanDerWaalsContact C-N 3.27Å; N101-F103 PolarHBondContact O-N 3.36Å; F103-R122 HydrophobicContact CE1-CB 4.05Å; F103-R122 HydrophobicContact CE1-CG 3.98Å; F103-R122 HydrophobicContact CZ-CB 4.36Å; F103-R122 HydrophobicContact CZ-CG 3.93Å; F103-I125 HydrophobicContact CE1-CD1 4.42Å; F103-I125 HydrophobicContact CE1-CG2 4.38Å; F103-I125 HydrophobicContact CE2-CD1 4.24Å; F103-I125 HydrophobicContact CZ-CB 4.41Å; F103-I125 HydrophobicContact CZ-CD1 3.54Å; F103-I125 HydrophobicContact CZ-CG2 4.36Å |
| 104 | L | 62.7 | Low | 64.8 | Low | 2 Ų | 2 | 75.5 Ų | 75.5 | 1% | 0.01 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -101.5 | -10.6 | 179.2 | -61.2 | -174.3 | 0 | 0 | 0 | 114.1 | L96 L100 N101 S102 T106 W107 | L96-L104 HydrophobicContact CD1-CD1 3.1Å; L96-L104 HydrophobicContact CD1-CG 4.36Å; L100-L104 PolarHBondContact O-N 3.27Å; N101-L104 CarbonylContact O-C 3.59Å; N101-L104 PolarHBondContact O-N 3.16Å; S102-L104 PolarHBondContact O-N 3.01Å; L104-T106 VanDerWaalsContact C-N 3.27Å; L104-T106 PolarHBondContact O-N 2.84Å; L104-W107 HydrophobicContact CB-CE3 4.1Å; L104-W107 HydrophobicContact CB-CZ3 4.49Å; L104-W107 HydrophobicContact CD1-CE3 4.33Å; L104-W107 HydrophobicContact CD1-CZ3 3.93Å; L104-W107 HydrophobicContact CD2-CE3 3.78Å; L104-W107 HydrophobicContact CD2-CH2 4.24Å; L104-W107 HydrophobicContact CD2-CZ3 3.61Å; L104-W107 HydrophobicContact CG-CE3 4.29Å; L104-W107 HydrophobicContact CG-CZ3 4.23Å; L104-W107 WeakPolarHBondContact O-CB 3.24Å; L104-W107 PolarHBondContact O-N 3.19Å |
| 105 | E | 57.5 | Low | 65.3 | Low | 105 Ų | 105 | 67.3 Ų | 67.3 | 49% | 0.491 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -19.8 | -166.4 | -104.1 | 166.3 | -168.6 | 0 | 0 | 115.3 | R93 N101 S102 | R93-E105 IonicContact CZ-OE1 3.72Å; R93-E105 VanDerWaalsContact NH2-CD 3.31Å; R93-E105 IonicContact NH2-OE1 2.69Å; R93-E105 PolarHBondContact NH2-OE1 2.81Å; N101-E105 WeakPolarHBondContact O-CA 3.25Å; N101-E105 VanDerWaalsContact O-CB 3.25Å; N101-E105 WeakPolarHBondContact O-CB 3.39Å; N101-E105 WeakPolarHBondContact O-CG 3.18Å; N101-E105 PolarHBondContact O-N 3.42Å; S102-E105 PolarHBondContact O-N 3.46Å |
| 106 | T | 58.2 | Low | 66.1 | Low | 104 Ų | 104 | 60.3 Ų | 60.3 | 64% | 0.638 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.8 | 39.5 | 169.7 | 48.5 | 0 | 0 | 0 | 0 | 111.6 | L104 P108 R122 | L104-T106 VanDerWaalsContact C-N 3.27Å; L104-T106 PolarHBondContact O-N 2.84Å; T106-P108 WeakPolarHBondContact O-CD 3.42Å; T106-R122 VanDerWaalsContact C-NH1 3.28Å; T106-R122 PolarHBondContact O-NH1 3.19Å; T106-R122 VanDerWaalsContact O-NH1 3.1Å; T106-R122 PolarHBondContact OG1-NH2 3.42Å |
| 107 | W | 65.4 | Low | 67.1 | Low | 31 Ų | 31 | 60.1 Ų | 60.1 | 12% | 0.117 | 34% | 0.338 | C | S | . | . | trans | -57.8 | 110.5 | -178.7 | -146.9 | -44.9 | 0 | 0 | 0 | 110 | Y85 W88 H89 L104 S109 L123 | Y85-W107 AromaticContact CE1-CD1 3.95Å; Y85-W107 HydrophobicContact CE1-CD2 4.43Å; Y85-W107 HydrophobicContact CE1-CG 4.42Å; Y85-W107 HydrophobicContact CE1-CZ2 4.49Å; Y85-W107 AromaticContact CE1-NE1 3.94Å; Y85-W107 HydrophobicContact CE2-CZ2 4.2Å; Y85-W107 AromaticContact CZ-CE2 3.57Å; Y85-W107 AromaticContact CZ-CZ2 3.62Å; Y85-W107 AromaticContact CZ-NE1 3.61Å; Y85-W107 WeakPolarHBondContact OH-CZ2 3.25Å; Y85-W107 PolarHBondContact OH-NE1 3.29Å; W88-W107 AromaticContact CH2-CH2 3.99Å; W88-W107 HydrophobicContact CH2-CH2 3.99Å; W88-W107 AromaticContact CZ3-CH2 3.6Å; W88-W107 HydrophobicContact CZ3-CH2 3.6Å; W88-W107 HydrophobicContact CZ3-CZ2 4.36Å; W88-W107 HydrophobicContact CZ3-CZ3 4.17Å; H89-W107 HydrophobicContact CB-CE3 4.46Å; H89-W107 HydrophobicContact CB-CZ3 4.49Å; H89-W107 AromaticContact CD2-CE3 3.07Å; H89-W107 AromaticContact CD2-CZ3 3.21Å; H89-W107 WeakPolarHBondContact CD2-CZ3 3.31Å; H89-W107 AromaticContact CE1-CE3 3.8Å; H89-W107 AromaticContact CG-CE3 3.61Å; H89-W107 AromaticContact CG-CZ3 3.92Å; H89-W107 AromaticContact NE2-CE3 3.25Å; H89-W107 AromaticContact NE2-CZ3 3.79Å; L104-W107 HydrophobicContact CB-CE3 4.1Å; L104-W107 HydrophobicContact CB-CZ3 4.49Å; L104-W107 HydrophobicContact CD1-CE3 4.33Å; L104-W107 HydrophobicContact CD1-CZ3 3.93Å; L104-W107 HydrophobicContact CD2-CE3 3.78Å; L104-W107 HydrophobicContact CD2-CH2 4.24Å; L104-W107 HydrophobicContact CD2-CZ3 3.61Å; L104-W107 HydrophobicContact CG-CE3 4.29Å; L104-W107 HydrophobicContact CG-CZ3 4.23Å; L104-W107 WeakPolarHBondContact O-CB 3.24Å; L104-W107 PolarHBondContact O-N 3.19Å; W107-S109 PolarHBondContact O-N 2.91Å; W107-L123 HydrophobicContact CH2-CD2 3.57Å; W107-L123 HydrophobicContact CH2-CG 4.17Å; W107-L123 HydrophobicContact CZ2-CD2 3.71Å; W107-L123 HydrophobicContact CZ2-CG 3.81Å | ||
| 108 | P | 54.6 | Low | 68 | Low | 29 Ų | 29 | 59 Ų | 59 | 19% | 0.188 | 33% | 0.326 | C | S | . | . | trans | -62.5 | 143.6 | -175.3 | -13.9 | 24.3 | 0 | 0 | 0 | 109.2 | T106 I110 E118 | T106-P108 WeakPolarHBondContact O-CD 3.42Å; P108-I110 PolarHBondContact O-N 3.2Å; P108-E118 HydrophobicContact CG-CB 3.98Å; P108-E118 WeakPolarHBondContact CG-OE2 3.2Å | ||
| 109 | S | 62.5 | Low | 68.8 | Low | 59 Ų | 59 | 51 Ų | 51 | 41% | 0.413 | 29% | 0.289 | S | S | . | . | trans | -51.8 | 118.8 | 157.1 | 177.4 | 0 | 0 | 0 | 0 | 107.5 | W107 S111 | W107-S109 PolarHBondContact O-N 2.91Å; S109-S111 WeakPolarHBondContact CB-OG 2.98Å; S109-S111 PolarHBondContact O-N 3.49Å; S109-S111 VanDerWaalsContact OG-CB 3.26Å; S109-S111 WeakPolarHBondContact OG-CB 3.47Å; S109-S111 PolarHBondContact OG-OG 3.02Å | ||
| 110 | I | 72.5 | Confident | 69.9 | Low | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -72.1 | 25.6 | 177.2 | 58.9 | -178.2 | 0 | 0 | 0 | 112.2 | Y48 F81 N82 Y85 P108 S112 C116 A119 | Y48-I110 HydrophobicContact CD1-CD1 4.16Å; Y48-I110 HydrophobicContact CE1-CB 4.44Å; Y48-I110 HydrophobicContact CE1-CD1 3.56Å; Y48-I110 HydrophobicContact CE1-CG1 3.84Å; Y48-I110 PolarHBondContact OH-O 2.85Å; F81-I110 HydrophobicContact CD1-CD1 3.69Å; F81-I110 HydrophobicContact CE1-CD1 3.45Å; F81-I110 VanDerWaalsContact CE1-CD1 3.45Å; N82-I110 WeakPolarHBondContact OD1-CG1 3.03Å; Y85-I110 HydrophobicContact CD1-CD1 3.96Å; Y85-I110 HydrophobicContact CD2-CD1 4.34Å; Y85-I110 HydrophobicContact CE1-CD1 4.26Å; Y85-I110 HydrophobicContact CE1-CG2 4.13Å; Y85-I110 HydrophobicContact CG-CD1 3.93Å; P108-I110 PolarHBondContact O-N 3.2Å; I110-S112 PolarHBondContact O-N 3.47Å; I110-C116 PolarHBondContact O-SG 3.36Å; I110-A119 HydrophobicContact CG2-CB 3.54Å |
| 111 | S | 71.9 | Confident | 70.8 | Confident | 79 Ų | 79 | 46.8 Ų | 46.8 | 55% | 0.552 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -81.9 | 6.5 | 179.3 | 58.8 | 0 | 0 | 0 | 0 | 113.5 | S109 | S109-S111 WeakPolarHBondContact CB-OG 2.98Å; S109-S111 PolarHBondContact O-N 3.49Å; S109-S111 VanDerWaalsContact OG-CB 3.26Å; S109-S111 WeakPolarHBondContact OG-CB 3.47Å; S109-S111 PolarHBondContact OG-OG 3.02Å |
| 112 | S | 75.6 | Confident | 71.6 | Confident | 47 Ų | 47 | 47.4 Ų | 47.4 | 33% | 0.329 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -138.5 | 154.3 | 176.7 | 69.6 | 0 | 0 | 0 | 0 | 110.1 | Y44 I110 K114 G115 C116 | Y44-S112 WeakPolarHBondContact OH-CA 3.49Å; I110-S112 PolarHBondContact O-N 3.47Å; S112-K114 PolarHBondContact O-N 2.93Å; S112-G115 WeakPolarHBondContact O-CA 3.41Å; S112-G115 PolarHBondContact O-N 3.27Å; S112-G115 PolarHBondContact OG-N 3.19Å; S112-C116 PolarHBondContact O-N 3.37Å; S112-C116 PolarHBondContact O-SG 3.04Å |
| 113 | V | 75.8 | Confident | 72.5 | Confident | 63 Ų | 63 | 43.8 Ų | 43.8 | 38% | 0.382 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -52.5 | -45.1 | 174.2 | 178.6 | 0 | 0 | 0 | 0 | 110.5 | Y44 L47 G115 C116 F117 | Y44-V113 HydrophobicContact CE1-CG2 3.96Å; Y44-V113 HydrophobicContact CE2-CG2 3.89Å; Y44-V113 WeakPolarHBondContact OH-CG2 3.43Å; Y44-V113 PolarHBondContact OH-N 3.11Å; Y44-V113 VanDerWaalsContact OH-N 3.09Å; L47-V113 HydrophobicContact CD1-CG1 4.15Å; V113-G115 PolarHBondContact O-N 2.79Å; V113-C116 WeakPolarHBondContact O-CB 3.48Å; V113-C116 PolarHBondContact O-N 3.16Å; V113-C116 VanDerWaalsContact O-N 3.15Å; V113-F117 HydrophobicContact CG1-CD2 3.8Å; V113-F117 HydrophobicContact CG1-CE2 3.75Å; V113-F117 WeakPolarHBondContact O-CD2 2.89Å; V113-F117 PolarHBondContact O-N 2.9Å |
| 114 | K | 76.5 | Confident | 73.5 | Confident | 149 Ų | 149 | 40 Ų | 40 | 65% | 0.648 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -56.1 | -49.2 | 175.6 | -177.3 | 177 | 172.3 | 176.9 | 0 | 111.5 | S112 C116 F117 E118 | S112-K114 PolarHBondContact O-N 2.93Å; K114-C116 VanDerWaalsContact C-N 3.3Å; K114-C116 PolarHBondContact O-N 3.04Å; K114-F117 PolarHBondContact O-N 3.23Å; K114-F117 VanDerWaalsContact O-N 3.16Å; K114-E118 WeakPolarHBondContact CE-OE1 3.48Å; K114-E118 HydrophobicContact CG-CG 4.49Å; K114-E118 IonicContact NZ-OE1 2.81Å; K114-E118 WeakPolarHBondContact O-CG 2.96Å; K114-E118 PolarHBondContact O-N 3.44Å |
| 115 | G | 77.2 | Confident | 74.2 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.7 | -35 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | S112 V113 A119 | S112-G115 WeakPolarHBondContact O-CA 3.41Å; S112-G115 PolarHBondContact O-N 3.27Å; S112-G115 PolarHBondContact OG-N 3.19Å; V113-G115 PolarHBondContact O-N 2.79Å; G115-A119 VanDerWaalsContact O-CB 3.27Å; G115-A119 WeakPolarHBondContact O-CB 3.44Å; G115-A119 PolarHBondContact O-N 3.31Å |
| 116 | C | 81.2 | Confident | 75 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.5 | -44.4 | 173 | -66.9 | 0 | 0 | 0 | 0 | 112.3 | L47 I51 I110 S112 V113 K114 A119 L120 | L47-C116 HydrophobicContact CB-CB 3.87Å; L47-C116 HydrophobicContact CD1-CB 3.72Å; L47-C116 HydrophobicContact CG-CB 4.32Å; I51-C116 HydrophobicContact CD1-CB 4.22Å; I110-C116 PolarHBondContact O-SG 3.36Å; S112-C116 PolarHBondContact O-N 3.37Å; S112-C116 PolarHBondContact O-SG 3.04Å; V113-C116 WeakPolarHBondContact O-CB 3.48Å; V113-C116 PolarHBondContact O-N 3.16Å; V113-C116 VanDerWaalsContact O-N 3.15Å; K114-C116 VanDerWaalsContact C-N 3.3Å; K114-C116 PolarHBondContact O-N 3.04Å; C116-A119 PolarHBondContact O-N 3.47Å; C116-L120 WeakPolarHBondContact O-CG 3.42Å; C116-L120 PolarHBondContact O-N 2.85Å |
| 117 | F | 80.7 | Confident | 75.9 | Confident | 26 Ų | 26 | 32.7 Ų | 32.7 | 11% | 0.114 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.3 | -42.9 | 176.7 | -88.1 | -89.8 | 0 | 0 | 0 | 112 | L7 I11 L39 L47 V113 K114 A119 L120 E121 | L7-F117 HydrophobicContact CD2-CB 4.26Å; I11-F117 HydrophobicContact CD1-CB 4.39Å; I11-F117 HydrophobicContact CD1-CD1 3.67Å; I11-F117 WeakPolarHBondContact CD1-O 2.9Å; L39-F117 HydrophobicContact CD1-CE1 4.46Å; L39-F117 HydrophobicContact CD2-CE1 3.93Å; L39-F117 HydrophobicContact CG-CE1 3.82Å; L39-F117 HydrophobicContact CG-CZ 4.11Å; L39-F117 WeakPolarHBondContact O-CZ 3.17Å; L47-F117 HydrophobicContact CD1-CD2 4.28Å; L47-F117 HydrophobicContact CD1-CE2 4.06Å; L47-F117 HydrophobicContact CD2-CD2 4.36Å; L47-F117 HydrophobicContact CD2-CE2 3.97Å; L47-F117 HydrophobicContact CD2-CZ 4.21Å; V113-F117 HydrophobicContact CG1-CD2 3.8Å; V113-F117 HydrophobicContact CG1-CE2 3.75Å; V113-F117 WeakPolarHBondContact O-CD2 2.89Å; V113-F117 PolarHBondContact O-N 2.9Å; K114-F117 PolarHBondContact O-N 3.23Å; K114-F117 VanDerWaalsContact O-N 3.16Å; F117-A119 VanDerWaalsContact C-N 3.33Å; F117-A119 PolarHBondContact O-N 3.11Å; F117-L120 PolarHBondContact O-N 3.32Å; F117-E121 PolarHBondContact O-N 2.86Å |
| 118 | E | 78.8 | Confident | 76.3 | Confident | 50 Ų | 50 | 34.5 Ų | 34.5 | 23% | 0.234 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.6 | -40.4 | 175 | -71.5 | 170.6 | 166.3 | 0 | 0 | 111.4 | P108 K114 E121 R122 | P108-E118 HydrophobicContact CG-CB 3.98Å; P108-E118 WeakPolarHBondContact CG-OE2 3.2Å; K114-E118 WeakPolarHBondContact CE-OE1 3.48Å; K114-E118 HydrophobicContact CG-CG 4.49Å; K114-E118 IonicContact NZ-OE1 2.81Å; K114-E118 WeakPolarHBondContact O-CG 2.96Å; K114-E118 PolarHBondContact O-N 3.44Å; E118-E121 PolarHBondContact O-N 3.13Å; E118-R122 WeakPolarHBondContact O-CB 3.16Å; E118-R122 VanDerWaalsContact O-CG 3.31Å; E118-R122 WeakPolarHBondContact O-CG 3.28Å; E118-R122 PolarHBondContact O-N 3.01Å |
| 119 | A | 80 | Confident | 76.9 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.5 | -44.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I51 Y85 I110 G115 C116 F117 E121 R122 L123 | I51-A119 HydrophobicContact CD1-CB 3.92Å; I51-A119 HydrophobicContact CG1-CB 4.38Å; Y85-A119 WeakPolarHBondContact OH-CB 3.48Å; I110-A119 HydrophobicContact CG2-CB 3.54Å; G115-A119 VanDerWaalsContact O-CB 3.27Å; G115-A119 WeakPolarHBondContact O-CB 3.44Å; G115-A119 PolarHBondContact O-N 3.31Å; C116-A119 PolarHBondContact O-N 3.47Å; F117-A119 VanDerWaalsContact C-N 3.33Å; F117-A119 PolarHBondContact O-N 3.11Å; A119-E121 VanDerWaalsContact C-N 3.3Å; A119-E121 PolarHBondContact O-N 3.15Å; A119-R122 PolarHBondContact O-N 3.33Å; A119-L123 WeakPolarHBondContact O-CB 3.05Å; A119-L123 WeakPolarHBondContact O-CG 3.27Å; A119-L123 PolarHBondContact O-N 2.89Å |
| 120 | L | 85.3 | Confident | 77.1 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.9 | -43.9 | 174.9 | -75.8 | 174.8 | 0 | 0 | 0 | 111.5 | I11 L39 L47 L50 I51 L54 C116 F117 S124 | I11-L120 HydrophobicContact CD1-CB 4.32Å; I11-L120 HydrophobicContact CG2-CB 4.07Å; L39-L120 HydrophobicContact CD1-CD1 4.15Å; L47-L120 HydrophobicContact CD2-CD1 3.65Å; L50-L120 HydrophobicContact CB-CD1 4.47Å; L50-L120 HydrophobicContact CB-CD2 3.49Å; L50-L120 VanDerWaalsContact CB-CD2 3.49Å; L50-L120 HydrophobicContact CD1-CD1 4.21Å; I51-L120 HydrophobicContact CB-CD2 4.4Å; I51-L120 HydrophobicContact CG1-CD2 3.55Å; I51-L120 HydrophobicContact CG1-CG 3.8Å; L54-L120 HydrophobicContact CD1-CD2 3.88Å; C116-L120 WeakPolarHBondContact O-CG 3.42Å; C116-L120 PolarHBondContact O-N 2.85Å; F117-L120 PolarHBondContact O-N 3.32Å; L120-S124 WeakPolarHBondContact O-CB 3.12Å; L120-S124 PolarHBondContact O-N 3.1Å; L120-S124 PolarHBondContact O-OG 2.85Å; L120-S124 VanDerWaalsContact O-OG 3.12Å |
| 121 | E | 82.7 | Confident | 76.9 | Confident | 54 Ų | 54 | 40.1 Ų | 40.1 | 25% | 0.252 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -60.8 | -54.6 | 177.9 | -168.4 | -178 | -169.5 | 0 | 0 | 111.3 | L7 I11 R14 F117 E118 A119 L123 S124 I125 | L7-E121 HydrophobicContact CD1-CB 4.23Å; L7-E121 VanDerWaalsContact CD1-CD 3.45Å; L7-E121 HydrophobicContact CD1-CG 4.13Å; L7-E121 WeakPolarHBondContact CD1-OE2 3.32Å; I11-E121 HydrophobicContact CD1-CB 4.15Å; I11-E121 HydrophobicContact CG1-CB 4.01Å; I11-E121 HydrophobicContact CG1-CG 4.36Å; R14-E121 IonicContact NH1-OE1 2.75Å; R14-E121 PolarHBondContact NH1-OE1 3.42Å; F117-E121 PolarHBondContact O-N 2.86Å; E118-E121 PolarHBondContact O-N 3.13Å; A119-E121 VanDerWaalsContact C-N 3.3Å; A119-E121 PolarHBondContact O-N 3.15Å; E121-L123 PolarHBondContact O-N 2.72Å; E121-S124 PolarHBondContact O-N 2.95Å; E121-S124 PolarHBondContact O-OG 3.5Å; E121-I125 HydrophobicContact CG-CD1 4.39Å; E121-I125 PolarHBondContact O-N 2.91Å |
| 122 | R | 79.2 | Confident | 76.3 | Confident | 41 Ų | 41 | 40.1 Ų | 40.1 | 16% | 0.155 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.5 | -42.4 | -177.8 | -67.7 | 178.9 | -172.7 | -166.6 | 4.6 | 112.1 | F103 T106 E118 A119 I125 L126 | F103-R122 HydrophobicContact CE1-CB 4.05Å; F103-R122 HydrophobicContact CE1-CG 3.98Å; F103-R122 HydrophobicContact CZ-CB 4.36Å; F103-R122 HydrophobicContact CZ-CG 3.93Å; T106-R122 VanDerWaalsContact C-NH1 3.28Å; T106-R122 PolarHBondContact O-NH1 3.19Å; T106-R122 VanDerWaalsContact O-NH1 3.1Å; T106-R122 PolarHBondContact OG1-NH2 3.42Å; E118-R122 WeakPolarHBondContact O-CB 3.16Å; E118-R122 VanDerWaalsContact O-CG 3.31Å; E118-R122 WeakPolarHBondContact O-CG 3.28Å; E118-R122 PolarHBondContact O-N 3.01Å; A119-R122 PolarHBondContact O-N 3.33Å; R122-I125 PolarHBondContact O-N 3.46Å; R122-L126 WeakPolarHBondContact O-CB 3.46Å; R122-L126 PolarHBondContact O-N 3.47Å |
| 123 | L | 81.8 | Confident | 75.5 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.4 | -36.9 | 176.2 | -73.1 | 174.3 | 0 | 0 | 0 | 112.4 | I51 L54 I55 I58 Y85 W88 W107 A119 E121 I125 L126 A127 | I51-L123 HydrophobicContact CB-CD1 4.14Å; I51-L123 HydrophobicContact CG1-CD1 4.42Å; I51-L123 HydrophobicContact CG2-CD1 3.39Å; L54-L123 HydrophobicContact CB-CB 3.98Å; L54-L123 HydrophobicContact CB-CD1 4.31Å; L54-L123 HydrophobicContact CD1-CB 3.52Å; L54-L123 HydrophobicContact CD1-CD1 4.39Å; L54-L123 HydrophobicContact CG-CB 4.35Å; I55-L123 HydrophobicContact CG1-CD1 4.24Å; I55-L123 HydrophobicContact CG1-CD2 4.36Å; I58-L123 HydrophobicContact CD1-CD2 3.86Å; Y85-L123 HydrophobicContact CE2-CD1 4.29Å; W88-L123 HydrophobicContact CH2-CD2 3.31Å; W88-L123 HydrophobicContact CZ2-CD2 4.36Å; W88-L123 HydrophobicContact CZ3-CD2 3.65Å; W107-L123 HydrophobicContact CH2-CD2 3.57Å; W107-L123 HydrophobicContact CH2-CG 4.17Å; W107-L123 HydrophobicContact CZ2-CD2 3.71Å; W107-L123 HydrophobicContact CZ2-CG 3.81Å; A119-L123 WeakPolarHBondContact O-CB 3.05Å; A119-L123 WeakPolarHBondContact O-CG 3.27Å; A119-L123 PolarHBondContact O-N 2.89Å; E121-L123 PolarHBondContact O-N 2.72Å; L123-I125 VanDerWaalsContact C-N 3.32Å; L123-L126 PolarHBondContact O-N 3.07Å; L123-A127 VanDerWaalsContact O-CB 3.23Å; L123-A127 WeakPolarHBondContact O-CB 3.43Å; L123-A127 PolarHBondContact O-N 2.68Å |
| 124 | S | 83.2 | Confident | 74.7 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.7 | -38.5 | 177.1 | 71.2 | 0 | 0 | 0 | 0 | 111.2 | R14 L120 E121 M128 | R14-S124 WeakPolarHBondContact CD-OG 3.38Å; L120-S124 WeakPolarHBondContact O-CB 3.12Å; L120-S124 PolarHBondContact O-N 3.1Å; L120-S124 PolarHBondContact O-OG 2.85Å; L120-S124 VanDerWaalsContact O-OG 3.12Å; E121-S124 PolarHBondContact O-N 2.95Å; E121-S124 PolarHBondContact O-OG 3.5Å; S124-M128 WeakPolarHBondContact O-CB 3.28Å; S124-M128 WeakPolarHBondContact O-CG 3.44Å; S124-M128 PolarHBondContact O-N 3.45Å |
| 125 | I | 77.2 | Confident | 73.8 | Confident | 36 Ų | 36 | 34.9 Ų | 34.9 | 19% | 0.185 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.5 | -48.9 | 171.6 | -67.7 | 163.6 | 0 | 0 | 0 | 110 | F103 E121 R122 L123 A127 M128 L129 | F103-I125 HydrophobicContact CE1-CD1 4.42Å; F103-I125 HydrophobicContact CE1-CG2 4.38Å; F103-I125 HydrophobicContact CE2-CD1 4.24Å; F103-I125 HydrophobicContact CZ-CB 4.41Å; F103-I125 HydrophobicContact CZ-CD1 3.54Å; F103-I125 HydrophobicContact CZ-CG2 4.36Å; E121-I125 HydrophobicContact CG-CD1 4.39Å; E121-I125 PolarHBondContact O-N 2.91Å; R122-I125 PolarHBondContact O-N 3.46Å; L123-I125 VanDerWaalsContact C-N 3.32Å; I125-A127 VanDerWaalsContact C-N 3.31Å; I125-A127 PolarHBondContact O-N 3.11Å; I125-M128 WeakPolarHBondContact O-CB 3.46Å; I125-M128 PolarHBondContact O-N 3.28Å; I125-M128 VanDerWaalsContact O-N 3.15Å; I125-L129 HydrophobicContact CG2-CD1 3.97Å; I125-L129 HydrophobicContact CG2-CG 4.27Å; I125-L129 WeakPolarHBondContact O-CG 3.31Å; I125-L129 PolarHBondContact O-N 3.32Å |
| 126 | L | 75.7 | Confident | 72.3 | Confident | 17 Ų | 17 | 40.4 Ų | 40.4 | 9% | 0.089 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.8 | -40.5 | -179.9 | -175.8 | 62.2 | 0 | 0 | 0 | 111.9 | I58 W88 V92 L96 R122 L123 L129 N130 | I58-L126 HydrophobicContact CD1-CB 4.28Å; I58-L126 HydrophobicContact CD1-CD2 3.93Å; I58-L126 HydrophobicContact CD1-CG 4.06Å; W88-L126 HydrophobicContact CH2-CD2 4.09Å; V92-L126 HydrophobicContact CG1-CD2 4.37Å; L96-L126 HydrophobicContact CD1-CD1 4.45Å; L96-L126 HydrophobicContact CD2-CD1 3.92Å; R122-L126 WeakPolarHBondContact O-CB 3.46Å; R122-L126 PolarHBondContact O-N 3.47Å; L123-L126 PolarHBondContact O-N 3.07Å; L126-L129 PolarHBondContact O-N 3.17Å; L126-N130 VanDerWaalsContact O-CB 3.26Å; L126-N130 WeakPolarHBondContact O-CB 3.45Å; L126-N130 PolarHBondContact O-N 2.97Å |
| 127 | A | 77 | Confident | 70.3 | Confident | 5 Ų | 5 | 45.8 Ų | 45.8 | 4% | 0.041 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.4 | -39.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L18 L54 I58 L123 I125 N130 R131 | L18-A127 HydrophobicContact CD1-CB 3.63Å; L18-A127 HydrophobicContact CD2-CB 3.97Å; L18-A127 HydrophobicContact CG-CB 4.46Å; L54-A127 HydrophobicContact CD2-CB 4.1Å; I58-A127 HydrophobicContact CD1-CB 4.27Å; I58-A127 HydrophobicContact CG1-CB 3.84Å; L123-A127 VanDerWaalsContact O-CB 3.23Å; L123-A127 WeakPolarHBondContact O-CB 3.43Å; L123-A127 PolarHBondContact O-N 2.68Å; I125-A127 VanDerWaalsContact C-N 3.31Å; I125-A127 PolarHBondContact O-N 3.11Å; A127-N130 PolarHBondContact O-N 3.02Å; A127-R131 WeakPolarHBondContact O-CB 3.48Å; A127-R131 PolarHBondContact O-N 2.68Å |
| 128 | M | 72.9 | Confident | 68.4 | Low | 69 Ų | 69 | 48.7 Ų | 48.7 | 34% | 0.34 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.6 | -46.1 | 172.3 | -77.4 | -177.1 | 63.7 | 0 | 0 | 111.6 | R14 L18 S124 I125 N130 R131 L132 | R14-M128 HydrophobicContact CB-SD 4.04Å; R14-M128 HydrophobicContact CG-SD 3.68Å; L18-M128 HydrophobicContact CD1-CG 4.23Å; L18-M128 HydrophobicContact CD2-CG 3.92Å; L18-M128 HydrophobicContact CG-CG 4.06Å; S124-M128 WeakPolarHBondContact O-CB 3.28Å; S124-M128 WeakPolarHBondContact O-CG 3.44Å; S124-M128 PolarHBondContact O-N 3.45Å; I125-M128 WeakPolarHBondContact O-CB 3.46Å; I125-M128 PolarHBondContact O-N 3.28Å; I125-M128 VanDerWaalsContact O-N 3.15Å; M128-N130 VanDerWaalsContact C-N 3.34Å; M128-N130 PolarHBondContact O-N 2.83Å; M128-R131 PolarHBondContact O-N 3.42Å; M128-L132 WeakPolarHBondContact O-CB 3.36Å; M128-L132 VanDerWaalsContact O-CG 3.31Å; M128-L132 WeakPolarHBondContact O-CG 3.26Å; M128-L132 PolarHBondContact O-N 3.4Å |
| 129 | L | 66.6 | Low | 66.3 | Low | 72 Ų | 72 | 52.9 Ų | 52.9 | 38% | 0.377 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.4 | -42.8 | 175.9 | -71.1 | 175.1 | 0 | 0 | 0 | 111.4 | L100 I125 L126 L132 A133 | L100-L129 HydrophobicContact CD1-CD1 4.16Å; L100-L129 HydrophobicContact CD2-CD1 4.26Å; I125-L129 HydrophobicContact CG2-CD1 3.97Å; I125-L129 HydrophobicContact CG2-CG 4.27Å; I125-L129 WeakPolarHBondContact O-CG 3.31Å; I125-L129 PolarHBondContact O-N 3.32Å; L126-L129 PolarHBondContact O-N 3.17Å; L129-L132 PolarHBondContact O-N 2.82Å; L129-A133 VanDerWaalsContact O-CB 3.24Å; L129-A133 WeakPolarHBondContact O-CB 3.23Å; L129-A133 PolarHBondContact O-N 2.91Å |
| 130 | N | 68.1 | Low | 63.8 | Low | 28 Ų | 28 | 55.3 Ų | 55.3 | 15% | 0.15 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.7 | -41.1 | 175.8 | -171.9 | 42.1 | 0 | 0 | 0 | 111.5 | I58 L126 A127 M128 A133 K134 | I58-N130 WeakPolarHBondContact CA-ND2 3.38Å; I58-N130 PolarHBondContact O-ND2 3.14Å; L126-N130 VanDerWaalsContact O-CB 3.26Å; L126-N130 WeakPolarHBondContact O-CB 3.45Å; L126-N130 PolarHBondContact O-N 2.97Å; A127-N130 PolarHBondContact O-N 3.02Å; M128-N130 VanDerWaalsContact C-N 3.34Å; M128-N130 PolarHBondContact O-N 2.83Å; N130-A133 PolarHBondContact O-N 3.24Å; N130-K134 WeakPolarHBondContact ND2-CE 3.38Å; N130-K134 PolarHBondContact ND2-NZ 3Å; N130-K134 WeakPolarHBondContact O-CB 3.3Å; N130-K134 VanDerWaalsContact O-CG 3.22Å; N130-K134 WeakPolarHBondContact O-CG 3.49Å; N130-K134 PolarHBondContact O-N 3.36Å; N130-K134 WeakPolarHBondContact OD1-CE 3.35Å |
| 131 | R | 66.6 | Low | 61.2 | Low | 107 Ų | 107 | 59.4 Ų | 59.4 | 40% | 0.404 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.4 | -44.6 | 175 | -175.9 | 178.6 | 179.4 | 176.8 | 1.8 | 111.5 | A17 A127 M128 K134 Q135 | A17-R131 PolarHBondContact O-NH1 3.16Å; A127-R131 WeakPolarHBondContact O-CB 3.48Å; A127-R131 PolarHBondContact O-N 2.68Å; M128-R131 PolarHBondContact O-N 3.42Å; R131-K134 PolarHBondContact O-N 2.91Å; R131-Q135 WeakPolarHBondContact O-CB 3.45Å; R131-Q135 VanDerWaalsContact O-CG 3.25Å; R131-Q135 WeakPolarHBondContact O-CG 3.38Å; R131-Q135 PolarHBondContact O-N 3.02Å |
| 132 | L | 61.3 | Low | 58.7 | Low | 78 Ų | 78 | 67.1 Ų | 67.1 | 41% | 0.408 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.9 | -46.1 | 175.7 | -73.1 | 170.9 | 0 | 0 | 0 | 111 | M128 L129 K134 Q135 H136 | M128-L132 WeakPolarHBondContact O-CB 3.36Å; M128-L132 VanDerWaalsContact O-CG 3.31Å; M128-L132 WeakPolarHBondContact O-CG 3.26Å; M128-L132 PolarHBondContact O-N 3.4Å; L129-L132 PolarHBondContact O-N 2.82Å; L132-K134 VanDerWaalsContact C-N 3.32Å; L132-K134 PolarHBondContact O-N 2.75Å; L132-Q135 CarbonylContact O-C 3.6Å; L132-Q135 PolarHBondContact O-N 3.34Å; L132-H136 WeakPolarHBondContact O-CB 3.27Å; L132-H136 PolarHBondContact O-CD2 3.37Å; L132-H136 PolarHBondContact O-N 2.93Å |
| 133 | A | 58.2 | Low | 56.2 | Low | 46 Ų | 46 | 68.5 Ų | 68.5 | 38% | 0.38 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -58 | -45.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | L129 N130 H136 L137 | L129-A133 VanDerWaalsContact O-CB 3.24Å; L129-A133 WeakPolarHBondContact O-CB 3.23Å; L129-A133 PolarHBondContact O-N 2.91Å; N130-A133 PolarHBondContact O-N 3.24Å; A133-H136 CarbonylContact O-C 3.6Å; A133-H136 PolarHBondContact O-N 3.45Å; A133-L137 VanDerWaalsContact O-CB 3.24Å; A133-L137 WeakPolarHBondContact O-CB 3.49Å; A133-L137 WeakPolarHBondContact O-CD1 3.32Å; A133-L137 WeakPolarHBondContact O-CG 3.23Å; A133-L137 PolarHBondContact O-N 2.95Å |
| 134 | K | 59.5 | Low | 53.8 | Low | 42 Ų | 42 | 77.2 Ų | 77.2 | 18% | 0.183 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -63.7 | -41.6 | 175.1 | -74 | 168.9 | 178.7 | 180 | 0 | 112.9 | I58 M60 N130 R131 L132 H136 L137 T138 | I58-K134 PolarHBondContact O-NZ 3.4Å; M60-K134 HydrophobicContact CE-CD 3.55Å; M60-K134 VanDerWaalsContact CE-CE 3.41Å; M60-K134 HydrophobicContact CE-CG 4.47Å; M60-K134 HydrophobicContact SD-CD 4.48Å; M60-K134 PolarHBondContact SD-NZ 3.42Å; N130-K134 WeakPolarHBondContact ND2-CE 3.38Å; N130-K134 PolarHBondContact ND2-NZ 3Å; N130-K134 WeakPolarHBondContact O-CB 3.3Å; N130-K134 VanDerWaalsContact O-CG 3.22Å; N130-K134 WeakPolarHBondContact O-CG 3.49Å; N130-K134 PolarHBondContact O-N 3.36Å; N130-K134 WeakPolarHBondContact OD1-CE 3.35Å; R131-K134 PolarHBondContact O-N 2.91Å; L132-K134 VanDerWaalsContact C-N 3.32Å; L132-K134 PolarHBondContact O-N 2.75Å; K134-H136 VanDerWaalsContact C-N 3.29Å; K134-H136 PolarHBondContact O-N 3.43Å; K134-L137 PolarHBondContact O-N 3.1Å; K134-T138 PolarHBondContact O-N 2.92Å; K134-T138 PolarHBondContact O-OG1 3Å |
| 135 | Q | 56.7 | Low | 51.4 | Low | 61 Ų | 61 | 83.8 Ų | 83.8 | 29% | 0.285 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.9 | -30.4 | 175.4 | -75.7 | 174.9 | -21 | 0 | 0 | 112.8 | R131 L132 T138 I139 | R131-Q135 WeakPolarHBondContact O-CB 3.45Å; R131-Q135 VanDerWaalsContact O-CG 3.25Å; R131-Q135 WeakPolarHBondContact O-CG 3.38Å; R131-Q135 PolarHBondContact O-N 3.02Å; L132-Q135 CarbonylContact O-C 3.6Å; L132-Q135 PolarHBondContact O-N 3.34Å; Q135-T138 PolarHBondContact O-OG1 3.45Å; Q135-I139 WeakPolarHBondContact O-CD1 3.48Å |
| 136 | H | 45.6 | Very low | 49.2 | Very low | 116 Ų | 116 | 86 Ų | 86 | 54% | 0.537 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -86.5 | -30 | 175.6 | -76.3 | -66.4 | 0 | 0 | 0 | 112.8 | L132 A133 K134 T138 I139 G140 | L132-H136 WeakPolarHBondContact O-CB 3.27Å; L132-H136 PolarHBondContact O-CD2 3.37Å; L132-H136 PolarHBondContact O-N 2.93Å; A133-H136 CarbonylContact O-C 3.6Å; A133-H136 PolarHBondContact O-N 3.45Å; K134-H136 VanDerWaalsContact C-N 3.29Å; K134-H136 PolarHBondContact O-N 3.43Å; H136-T138 VanDerWaalsContact C-N 3.3Å; H136-T138 PolarHBondContact O-N 3.33Å; H136-I139 PolarHBondContact O-N 2.96Å; H136-G140 PolarHBondContact O-N 3.49Å |
| 137 | L | 40.1 | Very low | 47 | Very low | 114 Ų | 114 | 89.4 Ų | 89.4 | 60% | 0.597 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67.2 | -29.1 | 174.3 | -80.9 | 162.2 | 0 | 0 | 0 | 112.3 | A133 K134 I139 G140 | A133-L137 VanDerWaalsContact O-CB 3.24Å; A133-L137 WeakPolarHBondContact O-CB 3.49Å; A133-L137 WeakPolarHBondContact O-CD1 3.32Å; A133-L137 WeakPolarHBondContact O-CG 3.23Å; A133-L137 PolarHBondContact O-N 2.95Å; K134-L137 PolarHBondContact O-N 3.1Å; L137-I139 PolarHBondContact O-N 3.2Å; L137-G140 PolarHBondContact O-N 3.23Å |
| 138 | T | 39.7 | Very low | 45.1 | Very low | 86 Ų | 86 | 92.7 Ų | 92.7 | 53% | 0.528 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -9.9 | 169.6 | 43.4 | 0 | 0 | 0 | 0 | 113.9 | K134 Q135 H136 W152 | K134-T138 PolarHBondContact O-N 2.92Å; K134-T138 PolarHBondContact O-OG1 3Å; Q135-T138 PolarHBondContact O-OG1 3.45Å; H136-T138 VanDerWaalsContact C-N 3.3Å; H136-T138 PolarHBondContact O-N 3.33Å; T138-W152 HydrophobicContact CG2-CH2 3.45Å; T138-W152 VanDerWaalsContact CG2-CH2 3.45Å; T138-W152 HydrophobicContact CG2-CZ2 3.91Å; T138-W152 HydrophobicContact CG2-CZ3 4.44Å |
| 139 | I | 34.4 | Very low | 43.1 | Very low | 139 Ų | 139 | 97.3 Ų | 97.3 | 71% | 0.713 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.5 | -13.8 | 177.8 | -59.4 | 172.9 | 0 | 0 | 0 | 111.6 | Q135 H136 L137 | Q135-I139 WeakPolarHBondContact O-CD1 3.48Å; H136-I139 PolarHBondContact O-N 2.96Å; L137-I139 PolarHBondContact O-N 3.2Å |
| 140 | G | 28.4 | Very low | 41.7 | Very low | 51 Ų | 51 | 99 Ų | 99 | 53% | 0.526 | 55% | 0.551 | S | S | . | * | trans | -130.1 | 35.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | H136 L137 F142 | H136-G140 PolarHBondContact O-N 3.49Å; L137-G140 PolarHBondContact O-N 3.23Å; G140-F142 PolarHBondContact O-N 2.93Å | ||
| 141 | A | 30.1 | Very low | 40.2 | Very low | 85 Ų | 85 | 103.7 Ų | 103.7 | 70% | 0.702 | 58% | 0.577 | S | S | * | * | trans | -70.3 | 73.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 142 | F | 30.2 | Very low | 38.7 | Very low | 216 Ų | 216 | 107.9 Ų | 107.9 | 95% | 0.947 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -157.6 | 82.2 | 156.7 | -96.4 | -77.3 | 0 | 0 | 0 | 108.4 | G140 | G140-F142 PolarHBondContact O-N 2.93Š|
| 143 | G | 27.3 | Very low | 37.5 | Very low | 70 Ų | 70 | 112.4 Ų | 112.4 | 72% | 0.722 | 61% | 0.612 | S | S | * | * | S | Bend | trans | 153.6 | 67.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 144 | Q | 31.7 | Very low | 36.7 | Very low | 184 Ų | 184 | 116.9 Ų | 116.9 | 86% | 0.86 | 63% | 0.634 | S | S | * | * | trans | 66.2 | 109.3 | 151.3 | -64.9 | 175.3 | -17.1 | 0 | 0 | 119 | ||||
| 145 | T | 32.8 | Very low | 35.5 | Very low | 138 Ų | 138 | 119.7 Ų | 119.7 | 85% | 0.847 | 65% | 0.651 | S | S | * | * | trans | 76.1 | 88.5 | 141.1 | 46.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 146 | S | 29.4 | Very low | 34.4 | Very low | 81 Ų | 81 | 123.3 Ų | 123.3 | 57% | 0.566 | 68% | 0.677 | S | S | * | * | 33.7 | 111 | 125 | -176.6 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 147 | L | 31.5 | Very low | 34.1 | Very low | 89 Ų | 89 | 122.5 Ų | 122.5 | 47% | 0.466 | 69% | 0.691 | S | S | . | * | S | Bend | trans | -121.3 | 102.8 | 139.6 | -93.2 | 148.5 | 0 | 0 | 0 | 106.1 | Y95 | Y95-L147 HydrophobicContact CD1-CD2 4.39Å; Y95-L147 HydrophobicContact CG-CD2 4.14Å |
| 148 | F | 36.9 | Very low | 34 | Very low | 75 Ų | 75 | 124.7 Ų | 124.7 | 33% | 0.329 | 70% | 0.698 | S | S | . | * | trans | 83.9 | 92.5 | 172.9 | -46.7 | -75.8 | 0 | 0 | 0 | 116.6 | M60 | M60-F148 HydrophobicContact SD-CB 3.89Š| ||
| 149 | E | 29.5 | Very low | 34 | Very low | 165 Ų | 165 | 123.6 Ų | 123.6 | 77% | 0.771 | 69% | 0.687 | S | S | * | * | trans | -73.3 | 116.2 | 169.1 | -65 | 169.9 | 163 | 0 | 0 | 111.5 | ||||
| 150 | T | 37.4 | Very low | 34.3 | Very low | 107 Ų | 107 | 122.5 Ų | 122.5 | 66% | 0.656 | 69% | 0.686 | S | S | * | * | trans | -177.4 | 110.4 | 151.1 | 1.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 151 | D | 36.6 | Very low | 35.2 | Very low | 128 Ų | 128 | 124.8 Ų | 124.8 | 68% | 0.684 | 69% | 0.686 | S | S | * | * | 89.3 | 120.9 | 88.2 | -154.2 | 10.6 | 0 | 0 | 0 | 113.6 | |||||
| 152 | W | 35.6 | Very low | 35.9 | Very low | 194 Ų | 194 | 124.7 Ų | 124.7 | 74% | 0.735 | 67% | 0.674 | S | S | * | * | trans | -111.6 | 8.1 | -140.8 | -85.4 | 87.9 | 0 | 0 | 0 | 115 | T138 | T138-W152 HydrophobicContact CG2-CH2 3.45Å; T138-W152 VanDerWaalsContact CG2-CH2 3.45Å; T138-W152 HydrophobicContact CG2-CZ2 3.91Å; T138-W152 HydrophobicContact CG2-CZ3 4.44Å | ||
| 153 | E | 35 | Very low | 36.6 | Very low | 174 Ų | 174 | 120 Ų | 120 | 81% | 0.813 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | 0.2 | -162.4 | -69.2 | -167.6 | 153.8 | 0 | 0 | 117.7 | ||
| 154 | T | 42.1 | Very low | 37.8 | Very low | 139 Ų | 139 | 122.9 Ų | 122.9 | 85% | 0.853 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110 | 13.1 | -172.8 | 50.4 | 0 | 0 | 0 | 0 | 117.2 | ||
| 155 | L | 34.1 | Very low | 38.7 | Very low | 101 Ų | 101 | 122.3 Ų | 122.3 | 53% | 0.529 | 64% | 0.638 | S | S | . | * | trans | -114.2 | 54.1 | -168.2 | -94 | 163.1 | 0 | 0 | 0 | 115.1 | E159 | L155-E159 HydrophobicContact CB-CG 4.36Å; L155-E159 HydrophobicContact CD2-CG 4.01Å; L155-E159 VanDerWaalsContact O-CG 3.31Å; L155-E159 WeakPolarHBondContact O-CG 3.41Å | ||
| 156 | T | 34.5 | Very low | 39.3 | Very low | 137 Ų | 137 | 119.3 Ų | 119.3 | 84% | 0.84 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -125.1 | 23.2 | -173.9 | 43.9 | 0 | 0 | 0 | 0 | 118.2 | ||
| 157 | A | 39 | Very low | 40.4 | Very low | 100 Ų | 100 | 121.4 Ų | 121.4 | 83% | 0.826 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -142.7 | -18.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 158 | Q | 37.6 | Very low | 41.8 | Very low | 159 Ų | 159 | 122.5 Ų | 122.5 | 74% | 0.743 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -99.2 | -5.9 | 175.6 | -72.9 | -178.5 | -12.7 | 0 | 0 | 113.8 | V160 | Q158-V160 VanDerWaalsContact C-N 3.35Å; Q158-V160 PolarHBondContact O-N 2.87Å |
| 159 | E | 39.6 | Very low | 42.4 | Very low | 64 Ų | 64 | 126.5 Ų | 126.5 | 30% | 0.299 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -68.6 | -25.9 | -173.2 | -79.1 | -159.8 | 155.6 | 0 | 0 | 114.9 | L155 K163 | L155-E159 HydrophobicContact CB-CG 4.36Å; L155-E159 HydrophobicContact CD2-CG 4.01Å; L155-E159 VanDerWaalsContact O-CG 3.31Å; L155-E159 WeakPolarHBondContact O-CG 3.41Å; E159-K163 VanDerWaalsContact O-CB 3.3Å; E159-K163 WeakPolarHBondContact O-CB 3.41Å; E159-K163 VanDerWaalsContact O-CG 3.23Å; E159-K163 WeakPolarHBondContact O-CG 3.48Å; E159-K163 PolarHBondContact O-N 3.36Å; E159-K163 IonicContact OE2-NZ 3.96Å; E159-K163 PolarHBondContact OE2-NZ 3.45Å |
| 160 | V | 40.8 | Very low | 43.3 | Very low | 115 Ų | 115 | 122.5 Ų | 122.5 | 70% | 0.697 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -74.6 | -42.9 | -173.5 | -178.1 | 0 | 0 | 0 | 0 | 111.5 | Q158 K163 E164 | Q158-V160 VanDerWaalsContact C-N 3.35Å; Q158-V160 PolarHBondContact O-N 2.87Å; V160-K163 PolarHBondContact O-N 2.81Å; V160-E164 PolarHBondContact O-N 3.49Å |
| 161 | D | 48 | Very low | 44.6 | Very low | 99 Ų | 99 | 123.6 Ų | 123.6 | 53% | 0.529 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -73.7 | -31 | 179.1 | -164.8 | 34.1 | 0 | 0 | 0 | 112.2 | R165 | D161-R165 PolarHBondContact O-N 2.99Å |
| 162 | L | 44.6 | Very low | 45.7 | Very low | 83 Ų | 83 | 119 Ų | 119 | 44% | 0.435 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -70.1 | -39.4 | 172.4 | -94.4 | 152.1 | 0 | 0 | 0 | 112.6 | E164 Q166 | L162-E164 VanDerWaalsContact C-N 3.33Å; L162-E164 PolarHBondContact O-N 3.25Å; L162-Q166 VanDerWaalsContact O-CB 3.32Å; L162-Q166 WeakPolarHBondContact O-CB 3.31Å; L162-Q166 VanDerWaalsContact O-CG 3.23Å; L162-Q166 WeakPolarHBondContact O-CG 3.24Å; L162-Q166 PolarHBondContact O-N 2.67Å |
| 163 | K | 45.4 | Very low | 46.6 | Very low | 119 Ų | 119 | 113.2 Ų | 113.2 | 52% | 0.517 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -63.1 | -38.4 | 175.7 | -83.2 | 170.7 | -179.1 | 156.9 | 0 | 111.8 | E159 V160 H167 | E159-K163 VanDerWaalsContact O-CB 3.3Å; E159-K163 WeakPolarHBondContact O-CB 3.41Å; E159-K163 VanDerWaalsContact O-CG 3.23Å; E159-K163 WeakPolarHBondContact O-CG 3.48Å; E159-K163 PolarHBondContact O-N 3.36Å; E159-K163 IonicContact OE2-NZ 3.96Å; E159-K163 PolarHBondContact OE2-NZ 3.45Å; V160-K163 PolarHBondContact O-N 2.81Å; K163-H167 WeakPolarHBondContact O-CB 3.38Å; K163-H167 PolarHBondContact O-N 2.97Å |
| 164 | E | 51.7 | Low | 48 | Very low | 130 Ų | 130 | 109.2 Ų | 109.2 | 61% | 0.607 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -71.7 | -42.9 | 179.2 | -167.5 | 159 | -168 | 0 | 0 | 112.6 | V160 L162 Q166 H167 L168 | V160-E164 PolarHBondContact O-N 3.49Å; L162-E164 VanDerWaalsContact C-N 3.33Å; L162-E164 PolarHBondContact O-N 3.25Å; E164-Q166 VanDerWaalsContact C-N 3.34Å; E164-Q166 PolarHBondContact O-N 3.44Å; E164-H167 WeakPolarHBondContact O-CB 3.41Å; E164-H167 PolarHBondContact O-N 3.19Å; E164-L168 PolarHBondContact O-N 3.47Å |
| 165 | R | 49.7 | Very low | 49.1 | Very low | 171 Ų | 171 | 105.5 Ų | 105.5 | 65% | 0.645 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.8 | -37.8 | 173.1 | -74.8 | -177.4 | -179.7 | 175.1 | 3 | 112.9 | D161 L168 Y169 | D161-R165 PolarHBondContact O-N 2.99Å; R165-L168 PolarHBondContact O-N 3.23Å; R165-Y169 WeakPolarHBondContact O-CB 3.48Å; R165-Y169 PolarHBondContact O-N 3.34Å |
| 166 | Q | 46.8 | Very low | 50.4 | Low | 76 Ų | 76 | 107.1 Ų | 107.1 | 36% | 0.355 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.8 | -41.6 | 173.5 | -78.4 | 175.3 | -8.6 | 0 | 0 | 111.9 | L162 E164 L168 Y169 L170 | L162-Q166 VanDerWaalsContact O-CB 3.32Å; L162-Q166 WeakPolarHBondContact O-CB 3.31Å; L162-Q166 VanDerWaalsContact O-CG 3.23Å; L162-Q166 WeakPolarHBondContact O-CG 3.24Å; L162-Q166 PolarHBondContact O-N 2.67Å; E164-Q166 VanDerWaalsContact C-N 3.34Å; E164-Q166 PolarHBondContact O-N 3.44Å; Q166-L168 VanDerWaalsContact C-N 3.34Å; Q166-L168 PolarHBondContact O-N 2.86Å; Q166-Y169 PolarHBondContact O-N 3.47Å; Q166-L170 VanDerWaalsContact O-CB 3.31Å; Q166-L170 WeakPolarHBondContact O-CB 3.37Å; Q166-L170 WeakPolarHBondContact O-CG 3.49Å; Q166-L170 PolarHBondContact O-N 3.42Å |
| 167 | H | 52.5 | Low | 51.5 | Low | 124 Ų | 124 | 106 Ų | 106 | 57% | 0.574 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -59.7 | -44.4 | 176.7 | -174.7 | 71.2 | 0 | 0 | 0 | 111.6 | K163 E164 K171 | K163-H167 WeakPolarHBondContact O-CB 3.38Å; K163-H167 PolarHBondContact O-N 2.97Å; E164-H167 WeakPolarHBondContact O-CB 3.41Å; E164-H167 PolarHBondContact O-N 3.19Å; H167-K171 VanDerWaalsContact O-CB 3.23Å; H167-K171 WeakPolarHBondContact O-CB 3.5Å; H167-K171 PolarHBondContact O-N 2.95Å |
| 168 | L | 60.6 | Low | 53.2 | Low | 112 Ų | 112 | 106.3 Ų | 106.3 | 59% | 0.586 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.5 | -42.5 | 177.4 | -69.1 | 171.8 | 0 | 0 | 0 | 112.7 | E164 R165 Q166 K171 G172 | E164-L168 PolarHBondContact O-N 3.47Å; R165-L168 PolarHBondContact O-N 3.23Å; Q166-L168 VanDerWaalsContact C-N 3.34Å; Q166-L168 PolarHBondContact O-N 2.86Å; L168-K171 PolarHBondContact O-N 3.06Å; L168-G172 PolarHBondContact O-N 3.06Å |
| 169 | Y | 49.1 | Very low | 55 | Low | 159 Ų | 159 | 102.6 Ų | 102.6 | 62% | 0.624 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -68 | -44.2 | 178.8 | -175.3 | -104 | 0 | 0 | 0 | 112.5 | R165 Q166 K171 G172 L173 | R165-Y169 WeakPolarHBondContact O-CB 3.48Å; R165-Y169 PolarHBondContact O-N 3.34Å; Q166-Y169 PolarHBondContact O-N 3.47Å; Y169-K171 VanDerWaalsContact C-N 3.33Å; Y169-K171 PolarHBondContact O-N 2.85Å; Y169-G172 PolarHBondContact O-N 3.45Å; Y169-L173 HydrophobicContact CD1-CD1 3.8Å; Y169-L173 HydrophobicContact CD1-CG 4.47Å; Y169-L173 HydrophobicContact CE1-CD1 3.24Å; Y169-L173 HydrophobicContact CE1-CG 4.05Å; Y169-L173 PolarHBondContact O-N 3.38Å |
| 170 | L | 49.5 | Very low | 56.3 | Low | 82 Ų | 82 | 102.2 Ų | 102.2 | 43% | 0.429 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.4 | -40.1 | 174.6 | -78.1 | 164.3 | 0 | 0 | 0 | 111.4 | Q166 G172 L173 I174 | Q166-L170 VanDerWaalsContact O-CB 3.31Å; Q166-L170 WeakPolarHBondContact O-CB 3.37Å; Q166-L170 WeakPolarHBondContact O-CG 3.49Å; Q166-L170 PolarHBondContact O-N 3.42Å; L170-G172 VanDerWaalsContact C-N 3.29Å; L170-G172 PolarHBondContact O-N 3.42Å; L170-L173 PolarHBondContact O-N 3.44Å; L170-I174 VanDerWaalsContact O-CB 3.3Å; L170-I174 WeakPolarHBondContact O-CB 3.18Å; L170-I174 WeakPolarHBondContact O-CD1 3.23Å; L170-I174 WeakPolarHBondContact O-CG1 3.3Å; L170-I174 PolarHBondContact O-N 3.31Å |
| 171 | K | 63.5 | Low | 57.8 | Low | 130 Ų | 130 | 103.4 Ų | 103.4 | 57% | 0.565 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62 | -37.8 | 175 | -171.2 | 177 | -179.6 | 179.6 | 0 | 111.8 | H167 L168 Y169 S175 | H167-K171 VanDerWaalsContact O-CB 3.23Å; H167-K171 WeakPolarHBondContact O-CB 3.5Å; H167-K171 PolarHBondContact O-N 2.95Å; L168-K171 PolarHBondContact O-N 3.06Å; Y169-K171 VanDerWaalsContact C-N 3.33Å; Y169-K171 PolarHBondContact O-N 2.85Å; K171-S175 VanDerWaalsContact O-CB 3.28Å; K171-S175 WeakPolarHBondContact O-CB 3.35Å; K171-S175 PolarHBondContact O-N 3.37Å; K171-S175 VanDerWaalsContact O-N 3.07Å; K171-S175 PolarHBondContact O-OG 3.36Å |
| 172 | G | 59.1 | Low | 59.4 | Low | 32 Ų | 32 | 105 Ų | 105 | 33% | 0.33 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.7 | -53.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L168 Y169 L170 I174 S175 E176 | L168-G172 PolarHBondContact O-N 3.06Å; Y169-G172 PolarHBondContact O-N 3.45Å; L170-G172 VanDerWaalsContact C-N 3.29Å; L170-G172 PolarHBondContact O-N 3.42Å; G172-I174 PolarHBondContact O-N 2.87Å; G172-S175 WeakPolarHBondContact O-CB 3.42Å; G172-S175 PolarHBondContact O-N 3.32Å; G172-S175 VanDerWaalsContact O-N 3.14Å; G172-E176 PolarHBondContact O-N 2.94Å |
| 173 | L | 55.7 | Low | 61.1 | Low | 71 Ų | 71 | 107.5 Ų | 107.5 | 37% | 0.372 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.8 | -41.6 | 178.7 | -77.6 | 174.3 | 0 | 0 | 0 | 113.2 | Y169 L170 S175 E176 Q177 | Y169-L173 HydrophobicContact CD1-CD1 3.8Å; Y169-L173 HydrophobicContact CD1-CG 4.47Å; Y169-L173 HydrophobicContact CE1-CD1 3.24Å; Y169-L173 HydrophobicContact CE1-CG 4.05Å; Y169-L173 PolarHBondContact O-N 3.38Å; L170-L173 PolarHBondContact O-N 3.44Å; L173-S175 VanDerWaalsContact C-N 3.28Å; L173-S175 PolarHBondContact O-N 3.07Å; L173-E176 PolarHBondContact O-N 3.45Å; L173-Q177 WeakPolarHBondContact O-CB 3.28Å; L173-Q177 PolarHBondContact O-N 3.07Å |
| 174 | I | 65 | Low | 62.5 | Low | 90 Ų | 90 | 107.6 Ų | 107.6 | 46% | 0.462 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.9 | -40.4 | 176.2 | -71.1 | 167.3 | 0 | 0 | 0 | 109.7 | L170 G172 Q177 I178 | L170-I174 VanDerWaalsContact O-CB 3.3Å; L170-I174 WeakPolarHBondContact O-CB 3.18Å; L170-I174 WeakPolarHBondContact O-CD1 3.23Å; L170-I174 WeakPolarHBondContact O-CG1 3.3Å; L170-I174 PolarHBondContact O-N 3.31Å; G172-I174 PolarHBondContact O-N 2.87Å; I174-Q177 PolarHBondContact O-N 2.87Å; I174-I178 HydrophobicContact CG2-CD1 3.63Å; I174-I178 HydrophobicContact CG2-CG1 4.27Å; I174-I178 WeakPolarHBondContact O-CB 3.42Å; I174-I178 WeakPolarHBondContact O-CD1 3.39Å; I174-I178 WeakPolarHBondContact O-CG1 3.36Å; I174-I178 PolarHBondContact O-N 3.04Å |
| 175 | S | 64.8 | Low | 63.9 | Low | 62 Ų | 62 | 105.8 Ų | 105.8 | 43% | 0.434 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.1 | -43.8 | 177.7 | -60.4 | 0 | 0 | 0 | 0 | 111.5 | K171 G172 L173 I178 V179 | K171-S175 VanDerWaalsContact O-CB 3.28Å; K171-S175 WeakPolarHBondContact O-CB 3.35Å; K171-S175 PolarHBondContact O-N 3.37Å; K171-S175 VanDerWaalsContact O-N 3.07Å; K171-S175 PolarHBondContact O-OG 3.36Å; G172-S175 WeakPolarHBondContact O-CB 3.42Å; G172-S175 PolarHBondContact O-N 3.32Å; G172-S175 VanDerWaalsContact O-N 3.14Å; L173-S175 VanDerWaalsContact C-N 3.28Å; L173-S175 PolarHBondContact O-N 3.07Å; S175-I178 PolarHBondContact O-N 2.86Å; S175-V179 WeakPolarHBondContact O-CG2 3.4Å; S175-V179 PolarHBondContact O-N 3.36Å |
| 176 | E | 61.5 | Low | 65.5 | Low | 135 Ų | 135 | 102.2 Ų | 102.2 | 63% | 0.631 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.1 | -42.8 | 173.6 | -72.8 | 177.5 | -175.9 | 0 | 0 | 112.1 | G172 L173 V179 A180 | G172-E176 PolarHBondContact O-N 2.94Å; L173-E176 PolarHBondContact O-N 3.45Å; E176-V179 PolarHBondContact O-N 2.65Å; E176-A180 WeakPolarHBondContact O-CB 3.49Å; E176-A180 PolarHBondContact O-N 3.14Å |
| 177 | Q | 57.7 | Low | 67 | Low | 113 Ų | 113 | 104.5 Ų | 104.5 | 53% | 0.528 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.2 | -37.8 | 178.3 | -165.1 | -178.2 | 23.3 | 0 | 0 | 112.3 | L173 I174 A180 K181 | L173-Q177 WeakPolarHBondContact O-CB 3.28Å; L173-Q177 PolarHBondContact O-N 3.07Å; I174-Q177 PolarHBondContact O-N 2.87Å; Q177-A180 PolarHBondContact O-N 3.46Å; Q177-K181 WeakPolarHBondContact O-CB 3.46Å; Q177-K181 WeakPolarHBondContact O-CG 3.34Å; Q177-K181 PolarHBondContact O-N 2.85Å |
| 178 | I | 74 | Confident | 68.3 | Low | 107 Ų | 107 | 104.1 Ų | 104.1 | 55% | 0.549 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.4 | -44.5 | 174.1 | -71.8 | 166.3 | 0 | 0 | 0 | 110 | I174 S175 K181 K182 | I174-I178 HydrophobicContact CG2-CD1 3.63Å; I174-I178 HydrophobicContact CG2-CG1 4.27Å; I174-I178 WeakPolarHBondContact O-CB 3.42Å; I174-I178 WeakPolarHBondContact O-CD1 3.39Å; I174-I178 WeakPolarHBondContact O-CG1 3.36Å; I174-I178 PolarHBondContact O-N 3.04Å; S175-I178 PolarHBondContact O-N 2.86Å; I178-K181 PolarHBondContact O-N 3.41Å; I178-K182 WeakPolarHBondContact O-CB 3.36Å; I178-K182 PolarHBondContact O-N 3.43Å |
| 179 | V | 75.3 | Confident | 69.4 | Low | 80 Ų | 80 | 104 Ų | 104 | 49% | 0.485 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.8 | -44.5 | 176.8 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | S175 E176 K182 K183 | S175-V179 WeakPolarHBondContact O-CG2 3.4Å; S175-V179 PolarHBondContact O-N 3.36Å; E176-V179 PolarHBondContact O-N 2.65Å; V179-K182 PolarHBondContact O-N 3.47Å; V179-K183 HydrophobicContact CG1-CD 4.48Å; V179-K183 WeakPolarHBondContact O-CG 3.17Å; V179-K183 PolarHBondContact O-N 2.93Å |
| 180 | A | 66.7 | Low | 71 | Confident | 57 Ų | 57 | 106 Ų | 106 | 47% | 0.471 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.4 | -44.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E176 Q177 K182 K183 L184 | E176-A180 WeakPolarHBondContact O-CB 3.49Å; E176-A180 PolarHBondContact O-N 3.14Å; Q177-A180 PolarHBondContact O-N 3.46Å; A180-K182 VanDerWaalsContact C-N 3.33Å; A180-K182 PolarHBondContact O-N 2.95Å; A180-K183 PolarHBondContact O-N 3.31Å; A180-L184 WeakPolarHBondContact O-CB 3.41Å; A180-L184 PolarHBondContact O-N 3.03Å |
| 181 | K | 72.3 | Confident | 72.2 | Confident | 140 Ų | 140 | 107 Ų | 107 | 61% | 0.609 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.3 | -39.7 | 174.6 | -80.8 | -173.7 | 174.9 | -176.7 | 0 | 112.2 | Q177 I178 L184 Q185 | Q177-K181 WeakPolarHBondContact O-CB 3.46Å; Q177-K181 WeakPolarHBondContact O-CG 3.34Å; Q177-K181 PolarHBondContact O-N 2.85Å; I178-K181 PolarHBondContact O-N 3.41Å; K181-L184 PolarHBondContact O-N 3.26Å; K181-Q185 WeakPolarHBondContact O-CB 3.32Å; K181-Q185 PolarHBondContact O-N 3.5Å |
| 182 | K | 82.7 | Confident | 72.9 | Confident | 132 Ų | 132 | 105 Ų | 105 | 57% | 0.574 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.7 | -45.1 | 177 | -166.3 | -176 | 179.1 | -166.2 | 0 | 111.4 | I178 V179 A180 L184 Q185 E186 | I178-K182 WeakPolarHBondContact O-CB 3.36Å; I178-K182 PolarHBondContact O-N 3.43Å; V179-K182 PolarHBondContact O-N 3.47Å; A180-K182 VanDerWaalsContact C-N 3.33Å; A180-K182 PolarHBondContact O-N 2.95Å; K182-L184 PolarHBondContact O-N 2.92Å; K182-Q185 PolarHBondContact O-N 3.44Å; K182-E186 VanDerWaalsContact CE-OE1 3.25Å; K182-E186 WeakPolarHBondContact CE-OE1 3.43Å; K182-E186 IonicContact NZ-OE1 3.02Å; K182-E186 WeakPolarHBondContact O-CG 3.48Å; K182-E186 PolarHBondContact O-N 2.91Å |
| 183 | K | 80.3 | Confident | 73.9 | Confident | 136 Ų | 136 | 106.3 Ų | 106.3 | 59% | 0.591 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.4 | -44.7 | 174.5 | -74.6 | -177.1 | 177.3 | -175.1 | 0 | 112.3 | V179 A180 Q185 E186 E187 | V179-K183 HydrophobicContact CG1-CD 4.48Å; V179-K183 WeakPolarHBondContact O-CG 3.17Å; V179-K183 PolarHBondContact O-N 2.93Å; A180-K183 PolarHBondContact O-N 3.31Å; K183-Q185 VanDerWaalsContact C-N 3.3Å; K183-Q185 PolarHBondContact O-N 2.92Å; K183-E186 PolarHBondContact O-N 2.98Å; K183-E187 WeakPolarHBondContact O-CB 3.4Å; K183-E187 PolarHBondContact O-N 3.36Å |
| 184 | L | 74.4 | Confident | 74.8 | Confident | 121 Ų | 121 | 105.1 Ų | 105.1 | 63% | 0.634 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.4 | -39 | 177.3 | -165.8 | 104.8 | 0 | 0 | 0 | 111.7 | A180 K181 K182 K188 | A180-L184 WeakPolarHBondContact O-CB 3.41Å; A180-L184 PolarHBondContact O-N 3.03Å; K181-L184 PolarHBondContact O-N 3.26Å; K182-L184 PolarHBondContact O-N 2.92Å; L184-K188 WeakPolarHBondContact O-CB 3.25Å; L184-K188 PolarHBondContact O-N 2.93Å |
| 185 | Q | 79.9 | Confident | 75.1 | Confident | 91 Ų | 91 | 105 Ų | 105 | 43% | 0.425 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.9 | -43.3 | 176.1 | -176.3 | 62.6 | 26.5 | 0 | 0 | 111.8 | K181 K182 K183 E187 K188 E189 | K181-Q185 WeakPolarHBondContact O-CB 3.32Å; K181-Q185 PolarHBondContact O-N 3.5Å; K182-Q185 PolarHBondContact O-N 3.44Å; K183-Q185 VanDerWaalsContact C-N 3.3Å; K183-Q185 PolarHBondContact O-N 2.92Å; Q185-E187 VanDerWaalsContact C-N 3.33Å; Q185-E187 PolarHBondContact O-N 2.93Å; Q185-K188 PolarHBondContact O-N 3.28Å; Q185-E189 PolarHBondContact NE2-OE1 2.71Å; Q185-E189 WeakPolarHBondContact O-CB 3.33Å; Q185-E189 WeakPolarHBondContact O-CG 3.44Å; Q185-E189 PolarHBondContact O-N 3.47Å |
| 186 | E | 84 | Confident | 75.7 | Confident | 96 Ų | 96 | 108.2 Ų | 108.2 | 45% | 0.449 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.8 | -39.3 | 174.9 | -73.5 | 169.6 | -174.4 | 0 | 0 | 111.9 | K182 K183 R190 | K182-E186 VanDerWaalsContact CE-OE1 3.25Å; K182-E186 WeakPolarHBondContact CE-OE1 3.43Å; K182-E186 IonicContact NZ-OE1 3.02Å; K182-E186 WeakPolarHBondContact O-CG 3.48Å; K182-E186 PolarHBondContact O-N 2.91Å; K183-E186 PolarHBondContact O-N 2.98Å; E186-R190 PolarHBondContact O-N 3.17Å |
| 187 | E | 78.5 | Confident | 76.4 | Confident | 125 Ų | 125 | 108.6 Ų | 108.6 | 58% | 0.584 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -68.6 | -41.8 | 176 | -170.3 | 171 | -167.8 | 0 | 0 | 111.8 | K183 Q185 R190 L191 | K183-E187 WeakPolarHBondContact O-CB 3.4Å; K183-E187 PolarHBondContact O-N 3.36Å; Q185-E187 VanDerWaalsContact C-N 3.33Å; Q185-E187 PolarHBondContact O-N 2.93Å; E187-R190 WeakPolarHBondContact O-CB 3.37Å; E187-R190 PolarHBondContact O-N 2.92Å; E187-L191 WeakPolarHBondContact O-CG 3.5Å; E187-L191 PolarHBondContact O-N 2.85Å |
| 188 | K | 79.7 | Confident | 77 | Confident | 116 Ų | 116 | 110.2 Ų | 110.2 | 50% | 0.504 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.8 | -46.1 | 173.4 | -174.4 | -178.7 | 176.1 | -176.5 | 0 | 111.7 | L184 Q185 R190 L191 D192 | L184-K188 WeakPolarHBondContact O-CB 3.25Å; L184-K188 PolarHBondContact O-N 2.93Å; Q185-K188 PolarHBondContact O-N 3.28Å; K188-R190 VanDerWaalsContact C-N 3.31Å; K188-R190 PolarHBondContact O-N 3.48Å; K188-L191 PolarHBondContact O-N 3.22Å; K188-D192 WeakPolarHBondContact O-CB 3.35Å; K188-D192 PolarHBondContact O-N 3.31Å |
| 189 | E | 83.4 | Confident | 76.5 | Confident | 108 Ų | 108 | 108.1 Ų | 108.1 | 51% | 0.505 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.7 | -37.3 | 177.4 | -75.4 | 170.5 | -167.6 | 0 | 0 | 112.2 | Q185 A193 | Q185-E189 PolarHBondContact NE2-OE1 2.71Å; Q185-E189 WeakPolarHBondContact O-CB 3.33Å; Q185-E189 WeakPolarHBondContact O-CG 3.44Å; Q185-E189 PolarHBondContact O-N 3.47Å; E189-A193 WeakPolarHBondContact O-CB 3.47Å; E189-A193 PolarHBondContact O-N 3.5Å |
| 190 | R | 83 | Confident | 76.3 | Confident | 203 Ų | 203 | 107.1 Ų | 107.1 | 77% | 0.766 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64 | -45 | 172.3 | -94.6 | -174.9 | 168 | 177.3 | -2.6 | 112.8 | E186 E187 K188 A193 A194 | E186-R190 PolarHBondContact O-N 3.17Å; E187-R190 WeakPolarHBondContact O-CB 3.37Å; E187-R190 PolarHBondContact O-N 2.92Å; K188-R190 VanDerWaalsContact C-N 3.31Å; K188-R190 PolarHBondContact O-N 3.48Å; R190-A193 PolarHBondContact O-N 3.42Å; R190-A194 WeakPolarHBondContact O-CB 3.25Å; R190-A194 PolarHBondContact O-N 2.86Å |
| 191 | L | 75.8 | Confident | 76.4 | Confident | 103 Ų | 103 | 109.7 Ų | 109.7 | 54% | 0.539 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.7 | -44.4 | 178 | -75.4 | 169.7 | 0 | 0 | 0 | 111.3 | E187 K188 A193 A194 I195 | E187-L191 WeakPolarHBondContact O-CG 3.5Å; E187-L191 PolarHBondContact O-N 2.85Å; K188-L191 PolarHBondContact O-N 3.22Å; L191-A193 VanDerWaalsContact C-N 3.3Å; L191-A193 PolarHBondContact O-N 3.4Å; L191-A194 PolarHBondContact O-N 2.96Å; L191-I195 WeakPolarHBondContact O-CB 3.45Å; L191-I195 VanDerWaalsContact O-CG1 3.25Å; L191-I195 WeakPolarHBondContact O-CG1 3.42Å; L191-I195 PolarHBondContact O-N 3.23Å |
| 192 | D | 77 | Confident | 75.8 | Confident | 87 Ų | 87 | 106.7 Ų | 106.7 | 47% | 0.465 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.5 | -39.4 | 177 | -74 | -23 | 0 | 0 | 0 | 111.3 | K188 K196 | K188-D192 WeakPolarHBondContact O-CB 3.35Å; K188-D192 PolarHBondContact O-N 3.31Å; D192-K196 WeakPolarHBondContact O-CB 3.47Å; D192-K196 PolarHBondContact O-N 3.42Å |
| 193 | A | 80.7 | Confident | 74.8 | Confident | 59 Ų | 59 | 102.4 Ų | 102.4 | 49% | 0.488 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.2 | -44.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | E189 R190 L191 K196 E197 | E189-A193 WeakPolarHBondContact O-CB 3.47Å; E189-A193 PolarHBondContact O-N 3.5Å; R190-A193 PolarHBondContact O-N 3.42Å; L191-A193 VanDerWaalsContact C-N 3.3Å; L191-A193 PolarHBondContact O-N 3.4Å; A193-K196 PolarHBondContact O-N 3.03Å; A193-E197 PolarHBondContact O-N 3.32Å |
| 194 | A | 74.8 | Confident | 74.2 | Confident | 47 Ų | 47 | 104.3 Ų | 104.3 | 39% | 0.388 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.1 | -40.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | R190 L191 E197 K198 | R190-A194 WeakPolarHBondContact O-CB 3.25Å; R190-A194 PolarHBondContact O-N 2.86Å; L191-A194 PolarHBondContact O-N 2.96Å; A194-E197 PolarHBondContact O-N 3.47Å; A194-K198 WeakPolarHBondContact O-CG 3.32Å; A194-K198 PolarHBondContact O-N 2.9Å |
| 195 | I | 70.3 | Confident | 73.4 | Confident | 88 Ų | 88 | 102.7 Ų | 102.7 | 45% | 0.451 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.4 | -46.2 | 174.4 | -70.7 | 166.3 | 0 | 0 | 0 | 110 | L191 E197 K198 Q199 | L191-I195 WeakPolarHBondContact O-CB 3.45Å; L191-I195 VanDerWaalsContact O-CG1 3.25Å; L191-I195 WeakPolarHBondContact O-CG1 3.42Å; L191-I195 PolarHBondContact O-N 3.23Å; I195-E197 PolarHBondContact O-N 2.91Å; I195-K198 PolarHBondContact O-N 2.89Å; I195-Q199 HydrophobicContact CG2-CG 4.35Å; I195-Q199 WeakPolarHBondContact O-CB 3.34Å; I195-Q199 WeakPolarHBondContact O-CG 3.32Å; I195-Q199 PolarHBondContact O-N 3.45Å |
| 196 | K | 77.2 | Confident | 72.3 | Confident | 129 Ų | 129 | 100.1 Ų | 100.1 | 56% | 0.561 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -61.7 | -43.1 | 178.4 | -170.3 | 178.1 | 179.3 | -177.8 | 0 | 112 | D192 A193 K198 Q199 D200 | D192-K196 WeakPolarHBondContact O-CB 3.47Å; D192-K196 PolarHBondContact O-N 3.42Å; A193-K196 PolarHBondContact O-N 3.03Å; K196-K198 PolarHBondContact O-N 3.47Å; K196-Q199 PolarHBondContact O-N 2.91Å; K196-D200 PolarHBondContact O-N 3.19Å |
| 197 | E | 76.5 | Confident | 71.2 | Confident | 142 Ų | 142 | 98.7 Ų | 98.7 | 66% | 0.664 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.1 | -44.9 | 175.8 | -173.3 | -175.3 | 172.6 | 0 | 0 | 111.8 | A193 A194 I195 D200 H201 | A193-E197 PolarHBondContact O-N 3.32Å; A194-E197 PolarHBondContact O-N 3.47Å; I195-E197 PolarHBondContact O-N 2.91Å; E197-D200 PolarHBondContact O-N 3.31Å; E197-H201 WeakPolarHBondContact O-CB 3.47Å; E197-H201 PolarHBondContact O-N 3.4Å |
| 198 | K | 69.8 | Low | 70.3 | Confident | 147 Ų | 147 | 93.4 Ų | 93.4 | 64% | 0.639 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -64.6 | -40.6 | 176.4 | -68.4 | -66.8 | -177.2 | -179 | 0 | 112 | A194 I195 K196 H201 L202 | A194-K198 WeakPolarHBondContact O-CG 3.32Å; A194-K198 PolarHBondContact O-N 2.9Å; I195-K198 PolarHBondContact O-N 2.89Å; K196-K198 PolarHBondContact O-N 3.47Å; K198-H201 PolarHBondContact O-N 3.34Å; K198-L202 WeakPolarHBondContact O-CB 3.38Å; K198-L202 PolarHBondContact O-N 3.02Å |
| 199 | Q | 64.9 | Low | 69.4 | Low | 63 Ų | 63 | 93.6 Ų | 93.6 | 29% | 0.294 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.6 | -43.3 | 175 | -75.4 | 177 | -10.6 | 0 | 0 | 112 | I195 K196 H201 L202 R203 | I195-Q199 HydrophobicContact CG2-CG 4.35Å; I195-Q199 WeakPolarHBondContact O-CB 3.34Å; I195-Q199 WeakPolarHBondContact O-CG 3.32Å; I195-Q199 PolarHBondContact O-N 3.45Å; K196-Q199 PolarHBondContact O-N 2.91Å; Q199-H201 VanDerWaalsContact C-N 3.34Å; Q199-L202 PolarHBondContact O-N 3.43Å; Q199-R203 WeakPolarHBondContact O-CG 3.34Å; Q199-R203 PolarHBondContact O-N 2.87Å |
| 200 | D | 70.5 | Confident | 68.2 | Low | 59 Ų | 59 | 96.9 Ų | 96.9 | 32% | 0.316 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68 | -34.9 | 177.9 | -71.8 | -19.1 | 0 | 0 | 0 | 112 | K196 E197 R203 K204 | K196-D200 PolarHBondContact O-N 3.19Å; E197-D200 PolarHBondContact O-N 3.31Å; D200-R203 PolarHBondContact O-N 2.93Å; D200-R203 IonicContact OD1-CZ 3.05Å; D200-R203 IonicContact OD1-NH1 2.91Å; D200-R203 PolarHBondContact OD1-NH1 3.25Å; D200-K204 WeakPolarHBondContact O-CG 3.37Å; D200-K204 PolarHBondContact O-N 2.73Å |
| 201 | H | 68.6 | Low | 67.2 | Low | 112 Ų | 112 | 92.2 Ų | 92.2 | 52% | 0.519 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65 | -45.7 | 172.8 | -164.8 | 71.8 | 0 | 0 | 0 | 112 | E197 K198 Q199 R203 K204 L205 | E197-H201 WeakPolarHBondContact O-CB 3.47Å; E197-H201 PolarHBondContact O-N 3.4Å; K198-H201 PolarHBondContact O-N 3.34Å; Q199-H201 VanDerWaalsContact C-N 3.34Å; H201-R203 PolarHBondContact O-N 2.99Å; H201-K204 PolarHBondContact O-N 2.88Å; H201-L205 PolarHBondContact O-N 3.01Å |
| 202 | L | 59 | Low | 66.5 | Low | 76 Ų | 76 | 89.7 Ų | 89.7 | 40% | 0.398 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60 | -43.7 | 173.7 | -87.6 | 156.1 | 0 | 0 | 0 | 111.9 | K198 Q199 K204 L205 M206 | K198-L202 WeakPolarHBondContact O-CB 3.38Å; K198-L202 PolarHBondContact O-N 3.02Å; Q199-L202 PolarHBondContact O-N 3.43Å; L202-K204 VanDerWaalsContact C-N 3.33Å; L202-K204 PolarHBondContact O-N 2.96Å; L202-L205 PolarHBondContact O-N 3.24Å; L202-M206 HydrophobicContact CB-CE 4.27Å; L202-M206 WeakPolarHBondContact O-CB 3.48Å; L202-M206 WeakPolarHBondContact O-CG 3.39Å; L202-M206 PolarHBondContact O-N 2.89Å |
| 203 | R | 62.6 | Low | 66 | Low | 42 Ų | 42 | 89.9 Ų | 89.9 | 16% | 0.158 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -58.6 | -43.3 | 175.3 | -78.3 | 178.4 | -174.4 | 135.7 | 0.5 | 112.1 | Q199 D200 H201 M206 G207 C208 L217 | Q199-R203 WeakPolarHBondContact O-CG 3.34Å; Q199-R203 PolarHBondContact O-N 2.87Å; D200-R203 PolarHBondContact O-N 2.93Å; D200-R203 IonicContact OD1-CZ 3.05Å; D200-R203 IonicContact OD1-NH1 2.91Å; D200-R203 PolarHBondContact OD1-NH1 3.25Å; H201-R203 PolarHBondContact O-N 2.99Å; R203-M206 PolarHBondContact O-N 3.13Å; R203-G207 PolarHBondContact O-N 3.49Å; R203-C208 HydrophobicContact CG-CB 4.45Å; R203-C208 PolarHBondContact O-N 3.43Å; R203-L217 HydrophobicContact CG-CD1 4.35Å; R203-L217 HydrophobicContact CG-CD2 3.74Å |
| 204 | K | 67.7 | Low | 65.1 | Low | 176 Ų | 176 | 91.6 Ų | 91.6 | 77% | 0.765 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63.5 | -45.1 | 176.6 | -76.3 | 177.8 | -178.2 | 176.7 | 0 | 112.1 | D200 H201 L202 M206 G207 | D200-K204 WeakPolarHBondContact O-CG 3.37Å; D200-K204 PolarHBondContact O-N 2.73Å; H201-K204 PolarHBondContact O-N 2.88Å; L202-K204 VanDerWaalsContact C-N 3.33Å; L202-K204 PolarHBondContact O-N 2.96Å; K204-M206 VanDerWaalsContact C-N 3.32Å; K204-M206 PolarHBondContact O-N 3Å; K204-G207 PolarHBondContact O-N 2.9Å |
| 205 | L | 57.6 | Low | 64.6 | Low | 88 Ų | 88 | 97.1 Ų | 97.1 | 46% | 0.461 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.7 | -37.2 | 178 | -75.3 | 168.3 | 0 | 0 | 0 | 112.3 | H201 L202 L346 | H201-L205 PolarHBondContact O-N 3.01Å; L202-L205 PolarHBondContact O-N 3.24Å; L205-L346 HydrophobicContact CD1-CD2 4.44Å |
| 206 | M | 57 | Low | 64.3 | Low | 37 Ų | 37 | 94.5 Ų | 94.5 | 18% | 0.182 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -90.7 | -2.1 | -178.9 | -63 | -171.3 | -62.3 | 0 | 0 | 114.4 | L202 R203 K204 C208 L217 K220 A221 | L202-M206 HydrophobicContact CB-CE 4.27Å; L202-M206 WeakPolarHBondContact O-CB 3.48Å; L202-M206 WeakPolarHBondContact O-CG 3.39Å; L202-M206 PolarHBondContact O-N 2.89Å; R203-M206 PolarHBondContact O-N 3.13Å; K204-M206 VanDerWaalsContact C-N 3.32Å; K204-M206 PolarHBondContact O-N 3Å; M206-C208 VanDerWaalsContact C-N 3.3Å; M206-C208 VanDerWaalsContact CB-SG 3.56Å; M206-C208 PolarHBondContact O-N 3.31Å; M206-C208 PolarHBondContact O-SG 3.45Å; M206-L217 HydrophobicContact CE-CD2 3.7Å; M206-K220 HydrophobicContact SD-CB 4.24Å; M206-A221 HydrophobicContact CE-CB 4.36Å; M206-A221 VanDerWaalsContact SD-CA 3.54Å; M206-A221 HydrophobicContact SD-CB 3.83Å |
| 207 | G | 61.6 | Low | 63.4 | Low | 66 Ų | 66 | 89.1 Ų | 89.1 | 68% | 0.68 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.5 | 31.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | R203 K204 | R203-G207 PolarHBondContact O-N 3.49Å; K204-G207 PolarHBondContact O-N 2.9Å |
| 208 | C | 58.3 | Low | 62.7 | Low | 14 Ų | 14 | 86 Ų | 86 | 10% | 0.095 | 46% | 0.457 | C | S | . | . | trans | -91.9 | 141.2 | -174.3 | -65 | 0 | 0 | 0 | 0 | 112.4 | R203 M206 E212 L217 | R203-C208 HydrophobicContact CG-CB 4.45Å; R203-C208 PolarHBondContact O-N 3.43Å; M206-C208 VanDerWaalsContact C-N 3.3Å; M206-C208 VanDerWaalsContact CB-SG 3.56Å; M206-C208 PolarHBondContact O-N 3.31Å; M206-C208 PolarHBondContact O-SG 3.45Å; C208-E212 VanDerWaalsContact CB-OE2 3.3Å; C208-E212 WeakPolarHBondContact CB-OE2 3.35Å; C208-E212 PolarHBondContact SG-OE2 3.34Å; C208-L217 HydrophobicContact CB-CD2 3.94Å | ||
| 209 | N | 61.6 | Low | 62.6 | Low | 119 Ų | 119 | 83.3 Ų | 83.3 | 64% | 0.636 | 45% | 0.449 | S | S | * | . | trans | -79.9 | 152.7 | 176.4 | -68.6 | -22.4 | 0 | 0 | 0 | 111.4 | S211 E212 | N209-S211 PolarHBondContact O-N 3.4Å; N209-E212 PolarHBondContact O-N 2.96Å | ||
| 210 | E | 58.7 | Low | 62.4 | Low | 177 Ų | 177 | 84.2 Ų | 84.2 | 83% | 0.827 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -18.3 | -177.6 | -69 | -178.3 | 165.6 | 0 | 0 | 114.8 | E212 | E210-E212 VanDerWaalsContact C-N 3.31Å; E210-E212 PolarHBondContact O-N 3.4Å |
| 211 | S | 62 | Low | 61.9 | Low | 106 Ų | 106 | 82.3 Ų | 82.3 | 74% | 0.741 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -4.6 | -177.6 | 62.3 | 0 | 0 | 0 | 0 | 115.1 | N209 | N209-S211 PolarHBondContact O-N 3.4Š|
| 212 | E | 60.8 | Low | 61.6 | Low | 50 Ų | 50 | 82.6 Ų | 82.6 | 23% | 0.234 | 45% | 0.446 | C | S | . | . | trans | -81.9 | 129 | -177.3 | -67.5 | -173.5 | 166.6 | 0 | 0 | 111.8 | C208 N209 E210 A216 L217 K220 | C208-E212 VanDerWaalsContact CB-OE2 3.3Å; C208-E212 WeakPolarHBondContact CB-OE2 3.35Å; C208-E212 PolarHBondContact SG-OE2 3.34Å; N209-E212 PolarHBondContact O-N 2.96Å; E210-E212 VanDerWaalsContact C-N 3.31Å; E210-E212 PolarHBondContact O-N 3.4Å; E212-A216 HydrophobicContact CB-CB 4.41Å; E212-L217 HydrophobicContact CB-CG 4.28Å; E212-K220 IonicContact OE1-NZ 3.37Å; E212-K220 PolarHBondContact OE1-NZ 2.94Å; E212-K220 WeakPolarHBondContact OE2-CE 3.46Å; E212-K220 IonicContact OE2-NZ 3.89Å; E212-K220 PolarHBondContact OE2-NZ 3.31Å | ||
| 213 | T | 65.3 | Low | 62 | Low | 90 Ų | 90 | 85.8 Ų | 85.8 | 55% | 0.552 | 46% | 0.457 | S | S | * | . | trans | -62.8 | 154.2 | 179 | 58 | 0 | 0 | 0 | 0 | 110.9 | E215 A216 L217 | T213-E215 PolarHBondContact O-N 3.25Å; T213-E215 VanDerWaalsContact O-N 3.17Å; T213-A216 WeakPolarHBondContact O-CB 3.44Å; T213-A216 PolarHBondContact O-N 2.87Å; T213-A216 WeakPolarHBondContact OG1-CB 3.46Å; T213-A216 PolarHBondContact OG1-N 3.28Å; T213-L217 PolarHBondContact O-N 3.28Å | ||
| 214 | N | 63.3 | Low | 61.8 | Low | 95 Ų | 95 | 88.7 Ų | 88.7 | 51% | 0.508 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -55.5 | -34.6 | 177.7 | -74.8 | -12.5 | 0 | 0 | 0 | 112.4 | L217 T218 | N214-L217 PolarHBondContact O-N 2.88Å; N214-T218 WeakPolarHBondContact O-CB 3.48Å; N214-T218 PolarHBondContact O-N 2.85Å; N214-T218 PolarHBondContact O-OG1 3.47Å |
| 215 | E | 63.6 | Low | 61.5 | Low | 163 Ų | 163 | 84.8 Ų | 84.8 | 76% | 0.762 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -66.3 | -42.8 | 174.5 | -67.9 | 175.9 | 178.2 | 0 | 0 | 112.1 | T213 L217 T218 L219 | T213-E215 PolarHBondContact O-N 3.25Å; T213-E215 VanDerWaalsContact O-N 3.17Å; E215-L217 VanDerWaalsContact C-N 3.35Å; E215-L217 PolarHBondContact O-N 2.81Å; E215-T218 PolarHBondContact O-N 2.95Å; E215-L219 WeakPolarHBondContact O-CB 3.25Å; E215-L219 PolarHBondContact O-N 3.37Å |
| 216 | A | 63.8 | Low | 61.9 | Low | 33 Ų | 33 | 85.2 Ų | 85.2 | 27% | 0.273 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.2 | -38.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | E212 T213 K220 | E212-A216 HydrophobicContact CB-CB 4.41Å; T213-A216 WeakPolarHBondContact O-CB 3.44Å; T213-A216 PolarHBondContact O-N 2.87Å; T213-A216 WeakPolarHBondContact OG1-CB 3.46Å; T213-A216 PolarHBondContact OG1-N 3.28Å; A216-K220 WeakPolarHBondContact O-CB 3.44Å; A216-K220 WeakPolarHBondContact O-CG 3.33Å; A216-K220 PolarHBondContact O-N 3.47Å |
| 217 | L | 59 | Low | 62 | Low | 16 Ų | 16 | 85.2 Ų | 85.2 | 8% | 0.084 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -64.4 | -41.8 | 173.4 | -78.1 | 161.4 | 0 | 0 | 0 | 111.8 | R203 M206 C208 E212 T213 N214 E215 K220 A221 | R203-L217 HydrophobicContact CG-CD1 4.35Å; R203-L217 HydrophobicContact CG-CD2 3.74Å; M206-L217 HydrophobicContact CE-CD2 3.7Å; C208-L217 HydrophobicContact CB-CD2 3.94Å; E212-L217 HydrophobicContact CB-CG 4.28Å; T213-L217 PolarHBondContact O-N 3.28Å; N214-L217 PolarHBondContact O-N 2.88Å; E215-L217 VanDerWaalsContact C-N 3.35Å; E215-L217 PolarHBondContact O-N 2.81Å; L217-K220 PolarHBondContact O-N 3.4Å; L217-A221 VanDerWaalsContact O-CB 3.32Å; L217-A221 WeakPolarHBondContact O-CB 3.3Å; L217-A221 PolarHBondContact O-N 2.87Å |
| 218 | T | 61.4 | Low | 61.8 | Low | 78 Ų | 78 | 84.4 Ų | 84.4 | 48% | 0.479 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64.2 | -48.5 | 178.2 | -53.8 | 0 | 0 | 0 | 0 | 110.6 | N214 E215 K220 A221 E222 | N214-T218 WeakPolarHBondContact O-CB 3.48Å; N214-T218 PolarHBondContact O-N 2.85Å; N214-T218 PolarHBondContact O-OG1 3.47Å; E215-T218 PolarHBondContact O-N 2.95Å; T218-K220 VanDerWaalsContact C-N 3.33Å; T218-K220 PolarHBondContact O-N 3.01Å; T218-A221 PolarHBondContact O-N 2.81Å; T218-E222 WeakPolarHBondContact O-CG 3.45Å; T218-E222 PolarHBondContact O-N 2.89Å |
| 219 | L | 67.4 | Low | 61.9 | Low | 90 Ų | 90 | 89.1 Ų | 89.1 | 47% | 0.471 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.8 | -37.6 | 178.2 | -173 | 69.4 | 0 | 0 | 0 | 112.3 | E215 K223 | E215-L219 WeakPolarHBondContact O-CB 3.25Å; E215-L219 PolarHBondContact O-N 3.37Å; L219-K223 WeakPolarHBondContact O-CB 3.47Å; L219-K223 WeakPolarHBondContact O-CG 3.36Å; L219-K223 PolarHBondContact O-N 2.57Å |
| 220 | K | 61.1 | Low | 62 | Low | 81 Ų | 81 | 87.2 Ų | 87.2 | 35% | 0.352 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -67.9 | -39.7 | 174.1 | -82.2 | -172.5 | 179.4 | -176.1 | 0 | 112.3 | M206 E212 A216 L217 T218 K223 F224 | M206-K220 HydrophobicContact SD-CB 4.24Å; E212-K220 IonicContact OE1-NZ 3.37Å; E212-K220 PolarHBondContact OE1-NZ 2.94Å; E212-K220 WeakPolarHBondContact OE2-CE 3.46Å; E212-K220 IonicContact OE2-NZ 3.89Å; E212-K220 PolarHBondContact OE2-NZ 3.31Å; A216-K220 WeakPolarHBondContact O-CB 3.44Å; A216-K220 WeakPolarHBondContact O-CG 3.33Å; A216-K220 PolarHBondContact O-N 3.47Å; L217-K220 PolarHBondContact O-N 3.4Å; T218-K220 VanDerWaalsContact C-N 3.33Å; T218-K220 PolarHBondContact O-N 3.01Å; K220-K223 PolarHBondContact O-N 3.3Å; K220-F224 VanDerWaalsContact O-CB 3.3Å; K220-F224 WeakPolarHBondContact O-CB 3.42Å; K220-F224 PolarHBondContact O-N 3Å |
| 221 | A | 58.7 | Low | 61.9 | Low | 20 Ų | 20 | 83.6 Ų | 83.6 | 17% | 0.165 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -63.4 | -44.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111 | M206 L217 T218 K223 F224 I225 | M206-A221 HydrophobicContact CE-CB 4.36Å; M206-A221 VanDerWaalsContact SD-CA 3.54Å; M206-A221 HydrophobicContact SD-CB 3.83Å; L217-A221 VanDerWaalsContact O-CB 3.32Å; L217-A221 WeakPolarHBondContact O-CB 3.3Å; L217-A221 PolarHBondContact O-N 2.87Å; T218-A221 PolarHBondContact O-N 2.81Å; A221-K223 PolarHBondContact O-N 2.96Å; A221-F224 PolarHBondContact O-N 3.44Å; A221-I225 WeakPolarHBondContact O-CB 3.37Å; A221-I225 VanDerWaalsContact O-CG1 3.25Å; A221-I225 WeakPolarHBondContact O-CG1 3.43Å; A221-I225 PolarHBondContact O-N 3.14Å |
| 222 | E | 64.2 | Low | 61.5 | Low | 118 Ų | 118 | 80 Ų | 80 | 55% | 0.551 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -59.5 | -45.5 | 174.3 | -73.1 | 175.9 | 170.3 | 0 | 0 | 111.8 | T218 I225 Q226 | T218-E222 WeakPolarHBondContact O-CG 3.45Å; T218-E222 PolarHBondContact O-N 2.89Å; E222-I225 PolarHBondContact O-N 2.75Å; E222-Q226 WeakPolarHBondContact O-CB 3.3Å; E222-Q226 PolarHBondContact O-N 3.48Å |
| 223 | K | 66.1 | Low | 61.4 | Low | 142 Ų | 142 | 82.2 Ų | 82.2 | 62% | 0.617 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -64.7 | -38 | 175.7 | -75 | 179.1 | 179.9 | -177.7 | 0 | 112.9 | L219 K220 A221 Q226 G227 | L219-K223 WeakPolarHBondContact O-CB 3.47Å; L219-K223 WeakPolarHBondContact O-CG 3.36Å; L219-K223 PolarHBondContact O-N 2.57Å; K220-K223 PolarHBondContact O-N 3.3Å; A221-K223 PolarHBondContact O-N 2.96Å; K223-Q226 PolarHBondContact O-N 3.36Å; K223-G227 PolarHBondContact O-N 3.36Å |
| 224 | F | 58.7 | Low | 61 | Low | 104 Ų | 104 | 83.9 Ų | 83.9 | 46% | 0.456 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.6 | -46.6 | 177 | -178.3 | -92.5 | 0 | 0 | 0 | 111 | K220 A221 Q226 G227 Y228 | K220-F224 VanDerWaalsContact O-CB 3.3Å; K220-F224 WeakPolarHBondContact O-CB 3.42Å; K220-F224 PolarHBondContact O-N 3Å; A221-F224 PolarHBondContact O-N 3.44Å; F224-Q226 VanDerWaalsContact C-N 3.31Å; F224-Q226 PolarHBondContact O-N 2.91Å; F224-G227 PolarHBondContact O-N 3.35Å; F224-Y228 WeakPolarHBondContact O-CB 3.34Å; F224-Y228 PolarHBondContact O-N 3.13Å |
| 225 | I | 62.1 | Low | 60.5 | Low | 93 Ų | 93 | 80.3 Ų | 80.3 | 48% | 0.477 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.3 | -42.1 | 175.8 | -68.9 | 166.5 | 0 | 0 | 0 | 110.4 | A221 E222 Y228 K229 | A221-I225 WeakPolarHBondContact O-CB 3.37Å; A221-I225 VanDerWaalsContact O-CG1 3.25Å; A221-I225 WeakPolarHBondContact O-CG1 3.43Å; A221-I225 PolarHBondContact O-N 3.14Å; E222-I225 PolarHBondContact O-N 2.75Å; I225-Y228 PolarHBondContact O-N 3.38Å; I225-K229 WeakPolarHBondContact O-CG 3.47Å; I225-K229 PolarHBondContact O-N 3.43Å |
| 226 | Q | 65 | Low | 60 | Low | 97 Ų | 97 | 75.4 Ų | 75.4 | 45% | 0.453 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65 | -47.4 | 177.1 | -171.4 | 59 | 43.9 | 0 | 0 | 111.5 | E222 K223 F224 Y228 K229 D230 | E222-Q226 WeakPolarHBondContact O-CB 3.3Å; E222-Q226 PolarHBondContact O-N 3.48Å; K223-Q226 PolarHBondContact O-N 3.36Å; F224-Q226 VanDerWaalsContact C-N 3.31Å; F224-Q226 PolarHBondContact O-N 2.91Å; Q226-Y228 VanDerWaalsContact C-N 3.25Å; Q226-Y228 PolarHBondContact O-N 2.91Å; Q226-K229 WeakPolarHBondContact O-CB 3.4Å; Q226-K229 PolarHBondContact O-N 3.1Å; Q226-K229 VanDerWaalsContact O-N 3.13Å; Q226-D230 PolarHBondContact NE2-OD1 3.28Å; Q226-D230 PolarHBondContact O-N 3.17Å |
| 227 | G | 59.9 | Low | 59.7 | Low | 38 Ų | 38 | 81 Ų | 81 | 39% | 0.392 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.8 | -33.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | K223 F224 F231 | K223-G227 PolarHBondContact O-N 3.36Å; F224-G227 PolarHBondContact O-N 3.35Å; G227-F231 WeakPolarHBondContact O-CB 3.49Å; G227-F231 PolarHBondContact O-N 3.42Å |
| 228 | Y | 57.5 | Low | 59.3 | Low | 49 Ų | 49 | 85.1 Ų | 85.1 | 19% | 0.192 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -65.8 | -45 | 173.2 | -170.3 | -91.1 | 0 | 0 | 0 | 112 | F224 I225 Q226 F231 C232 L339 | F224-Y228 WeakPolarHBondContact O-CB 3.34Å; F224-Y228 PolarHBondContact O-N 3.13Å; I225-Y228 PolarHBondContact O-N 3.38Å; Q226-Y228 VanDerWaalsContact C-N 3.25Å; Q226-Y228 PolarHBondContact O-N 2.91Å; Y228-F231 PolarHBondContact O-N 3.27Å; Y228-C232 PolarHBondContact O-N 2.98Å; Y228-C232 PolarHBondContact O-SG 2.94Å; Y228-C232 VanDerWaalsContact O-SG 3.36Å; Y228-L339 HydrophobicContact CE2-CD2 3.72Å; Y228-L339 VanDerWaalsContact OH-CA 3.23Å; Y228-L339 WeakPolarHBondContact OH-CA 3.37Å; Y228-L339 WeakPolarHBondContact OH-CB 3.4Å; Y228-L339 WeakPolarHBondContact OH-CD2 3.33Å; Y228-L339 PolarHBondContact OH-O 3.17Å |
| 229 | K | 60.4 | Low | 58.9 | Low | 112 Ų | 112 | 82.1 Ų | 82.1 | 49% | 0.487 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.2 | -45.6 | 174.2 | -74.2 | 178.9 | 178.7 | 180 | 0 | 111.8 | I225 Q226 F231 C232 D233 | I225-K229 WeakPolarHBondContact O-CG 3.47Å; I225-K229 PolarHBondContact O-N 3.43Å; Q226-K229 WeakPolarHBondContact O-CB 3.4Å; Q226-K229 PolarHBondContact O-N 3.1Å; Q226-K229 VanDerWaalsContact O-N 3.13Å; K229-F231 VanDerWaalsContact C-N 3.3Å; K229-F231 PolarHBondContact O-N 3.31Å; K229-C232 WeakPolarHBondContact O-CB 3.42Å; K229-C232 PolarHBondContact O-N 3.37Å; K229-D233 PolarHBondContact O-N 2.88Å |
| 230 | D | 62.1 | Low | 58.4 | Low | 80 Ų | 80 | 80.2 Ų | 80.2 | 43% | 0.428 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61.1 | -40.8 | 178.6 | -62.4 | -17.7 | 0 | 0 | 0 | 110.9 | Q226 D233 E234 | Q226-D230 PolarHBondContact NE2-OD1 3.28Å; Q226-D230 PolarHBondContact O-N 3.17Å; D230-D233 PolarHBondContact O-N 3.4Å; D230-E234 PolarHBondContact O-N 2.86Å |
| 231 | F | 58.4 | Low | 58 | Low | 100 Ų | 100 | 77.7 Ų | 77.7 | 44% | 0.439 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.3 | -43.2 | 174.4 | -179 | -99.9 | 0 | 0 | 0 | 112.6 | G227 Y228 K229 D233 E234 F235 L339 | G227-F231 WeakPolarHBondContact O-CB 3.49Å; G227-F231 PolarHBondContact O-N 3.42Å; Y228-F231 PolarHBondContact O-N 3.27Å; K229-F231 VanDerWaalsContact C-N 3.3Å; K229-F231 PolarHBondContact O-N 3.31Å; F231-D233 VanDerWaalsContact C-N 3.33Å; F231-D233 PolarHBondContact O-N 2.97Å; F231-E234 PolarHBondContact O-N 3.37Å; F231-F235 HydrophobicContact CE1-CD2 4.49Å; F231-F235 HydrophobicContact CZ-CD2 4.4Å; F231-F235 WeakPolarHBondContact O-CB 3.37Å; F231-F235 PolarHBondContact O-N 3.49Å; F231-L339 HydrophobicContact CD1-CD1 4.35Å; F231-L339 HydrophobicContact CE1-CD1 3.85Å |
| 232 | C | 53.2 | Low | 57.8 | Low | 31 Ų | 31 | 78.1 Ų | 78.1 | 21% | 0.209 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60.8 | -41.9 | 174.4 | -72.7 | 0 | 0 | 0 | 0 | 111.9 | Y228 K229 F235 C236 | Y228-C232 PolarHBondContact O-N 2.98Å; Y228-C232 PolarHBondContact O-SG 2.94Å; Y228-C232 VanDerWaalsContact O-SG 3.36Å; K229-C232 WeakPolarHBondContact O-CB 3.42Å; K229-C232 PolarHBondContact O-N 3.37Å; C232-F235 WeakPolarHBondContact O-CB 3.34Å; C232-F235 PolarHBondContact O-N 2.93Å; C232-C236 PolarHBondContact O-N 3.19Å |
| 233 | D | 58.4 | Low | 57.5 | Low | 97 Ų | 97 | 75.7 Ų | 75.7 | 52% | 0.519 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.7 | -41.9 | 176.9 | -79 | -11.3 | 0 | 0 | 0 | 111.9 | K229 D230 F231 F235 C236 K237 | K229-D233 PolarHBondContact O-N 2.88Å; D230-D233 PolarHBondContact O-N 3.4Å; F231-D233 VanDerWaalsContact C-N 3.33Å; F231-D233 PolarHBondContact O-N 2.97Å; D233-F235 VanDerWaalsContact C-N 3.33Å; D233-C236 PolarHBondContact O-N 3.34Å; D233-K237 WeakPolarHBondContact O-CG 3.43Å; D233-K237 PolarHBondContact O-N 3.5Å |
| 234 | E | 55.7 | Low | 57.2 | Low | 124 Ų | 124 | 75.1 Ų | 75.1 | 58% | 0.579 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -61.6 | -41.6 | 171.9 | -77.9 | -163.9 | 161.3 | 0 | 0 | 111.8 | D230 F231 C236 K237 L238 | D230-E234 PolarHBondContact O-N 2.86Å; F231-E234 PolarHBondContact O-N 3.37Å; E234-C236 PolarHBondContact O-N 3.26Å; E234-K237 CarbonylContact O-C 3.58Å; E234-K237 WeakPolarHBondContact O-CB 3.46Å; E234-K237 PolarHBondContact O-N 3Å; E234-K237 VanDerWaalsContact O-N 3.14Å; E234-L238 WeakPolarHBondContact O-CG 3.33Å; E234-L238 PolarHBondContact O-N 3.36Å |
| 235 | F | 53.3 | Low | 57.1 | Low | 20 Ų | 20 | 71.6 Ų | 71.6 | 9% | 0.088 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.1 | -42 | 177.2 | -157.8 | -90.6 | 0 | 0 | 0 | 111.8 | F231 C232 D233 K237 L238 V239 L332 V335 K336 | F231-F235 HydrophobicContact CE1-CD2 4.49Å; F231-F235 HydrophobicContact CZ-CD2 4.4Å; F231-F235 WeakPolarHBondContact O-CB 3.37Å; F231-F235 PolarHBondContact O-N 3.49Å; C232-F235 WeakPolarHBondContact O-CB 3.34Å; C232-F235 PolarHBondContact O-N 2.93Å; D233-F235 VanDerWaalsContact C-N 3.33Å; F235-K237 VanDerWaalsContact C-N 3.32Å; F235-K237 PolarHBondContact O-N 2.94Å; F235-L238 WeakPolarHBondContact O-CB 3.43Å; F235-L238 PolarHBondContact O-N 3.35Å; F235-L238 VanDerWaalsContact O-N 3.09Å; F235-V239 HydrophobicContact CD1-CG2 3.92Å; F235-V239 HydrophobicContact CE1-CG2 3.86Å; F235-V239 WeakPolarHBondContact O-CG2 3.34Å; F235-V239 PolarHBondContact O-N 3.41Å; F235-L332 HydrophobicContact CE1-CB 3.88Å; F235-L332 HydrophobicContact CE1-CD2 4.15Å; F235-L332 WeakPolarHBondContact CE1-O 3.46Å; F235-L332 HydrophobicContact CE2-CD2 3.48Å; F235-L332 VanDerWaalsContact CE2-CD2 3.48Å; F235-L332 HydrophobicContact CZ-CB 3.64Å; F235-L332 HydrophobicContact CZ-CD2 3.25Å; F235-L332 HydrophobicContact CZ-CG 4.03Å; F235-L332 WeakPolarHBondContact CZ-O 3.41Å; F235-V335 HydrophobicContact CE2-CB 4.46Å; F235-V335 HydrophobicContact CE2-CG1 3.97Å; F235-V335 HydrophobicContact CZ-CB 3.96Å; F235-V335 HydrophobicContact CZ-CG1 3.91Å; F235-K336 HydrophobicContact CD1-CB 4.43Å; F235-K336 HydrophobicContact CE1-CB 4.03Å |
| 236 | C | 53.5 | Low | 56.8 | Low | 61 Ų | 61 | 68.7 Ų | 68.7 | 41% | 0.412 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.8 | -37.8 | 172.6 | -78.3 | 0 | 0 | 0 | 0 | 112.7 | C232 D233 E234 L238 V239 S240 | C232-C236 PolarHBondContact O-N 3.19Å; D233-C236 PolarHBondContact O-N 3.34Å; E234-C236 PolarHBondContact O-N 3.26Å; C236-L238 VanDerWaalsContact C-N 3.27Å; C236-L238 PolarHBondContact O-N 3.48Å; C236-V239 PolarHBondContact O-N 2.96Å; C236-S240 PolarHBondContact O-N 3.47Å; C236-S240 VanDerWaalsContact O-N 3.13Å; C236-S240 PolarHBondContact O-OG 2.98Å |
| 237 | K | 57 | Low | 56.7 | Low | 149 Ų | 149 | 69.8 Ų | 69.8 | 65% | 0.648 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -66.7 | -25.9 | 173.1 | -71.1 | 171.1 | -173.7 | 168.5 | 0 | 112.9 | D233 E234 F235 P241 | D233-K237 WeakPolarHBondContact O-CG 3.43Å; D233-K237 PolarHBondContact O-N 3.5Å; E234-K237 CarbonylContact O-C 3.58Å; E234-K237 WeakPolarHBondContact O-CB 3.46Å; E234-K237 PolarHBondContact O-N 3Å; E234-K237 VanDerWaalsContact O-N 3.14Å; F235-K237 VanDerWaalsContact C-N 3.32Å; F235-K237 PolarHBondContact O-N 2.94Å; K237-P241 WeakPolarHBondContact O-CD 3.32Å; K237-P241 WeakPolarHBondContact O-CG 3.46Å |
| 238 | L | 51.9 | Low | 56.6 | Low | 104 Ų | 104 | 71.5 Ų | 71.5 | 55% | 0.545 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -82.1 | -35.4 | 174.6 | -70.6 | 169 | 0 | 0 | 0 | 113 | E234 F235 C236 P241 | E234-L238 WeakPolarHBondContact O-CG 3.33Å; E234-L238 PolarHBondContact O-N 3.36Å; F235-L238 WeakPolarHBondContact O-CB 3.43Å; F235-L238 PolarHBondContact O-N 3.35Å; F235-L238 VanDerWaalsContact O-N 3.09Å; C236-L238 VanDerWaalsContact C-N 3.27Å; C236-L238 PolarHBondContact O-N 3.48Å; L238-P241 WeakPolarHBondContact O-CD 3.48Å |
| 239 | V | 52.3 | Low | 56.6 | Low | 15 Ų | 15 | 70.2 Ų | 70.2 | 9% | 0.091 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -72.2 | -37.9 | 179.2 | 174.3 | 0 | 0 | 0 | 0 | 111.6 | F235 C236 L242 E243 L332 | F235-V239 HydrophobicContact CD1-CG2 3.92Å; F235-V239 HydrophobicContact CE1-CG2 3.86Å; F235-V239 WeakPolarHBondContact O-CG2 3.34Å; F235-V239 PolarHBondContact O-N 3.41Å; C236-V239 PolarHBondContact O-N 2.96Å; V239-L242 WeakPolarHBondContact O-CB 2.91Å; V239-L242 PolarHBondContact O-N 3.42Å; V239-L242 VanDerWaalsContact O-N 3.13Å; V239-E243 HydrophobicContact CG1-CG 4.12Å; V239-E243 PolarHBondContact O-N 3.46Å; V239-L332 HydrophobicContact CG2-CB 4.29Å; V239-L332 HydrophobicContact CG2-CD1 4.47Å |
| 240 | S | 56.5 | Low | 56.8 | Low | 50 Ų | 50 | 68.1 Ų | 68.1 | 35% | 0.35 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.6 | -44.2 | -175.2 | -54 | 0 | 0 | 0 | 0 | 114 | C236 L242 E243 R244 | C236-S240 PolarHBondContact O-N 3.47Å; C236-S240 VanDerWaalsContact O-N 3.13Å; C236-S240 PolarHBondContact O-OG 2.98Å; S240-L242 VanDerWaalsContact C-N 3.33Å; S240-L242 PolarHBondContact O-N 3.44Å; S240-E243 PolarHBondContact O-N 2.94Å; S240-R244 WeakPolarHBondContact O-CG 3.38Å; S240-R244 PolarHBondContact O-N 3.29Å; S240-R244 VanDerWaalsContact O-N 3.16Å |
| 241 | P | 53.7 | Low | 56.7 | Low | 27 Ų | 27 | 70.2 Ų | 70.2 | 18% | 0.175 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.1 | -35.5 | 173.8 | -24.1 | 34.2 | 0 | 0 | 0 | 113.5 | K237 L238 R244 L245 | K237-P241 WeakPolarHBondContact O-CD 3.32Å; K237-P241 WeakPolarHBondContact O-CG 3.46Å; L238-P241 WeakPolarHBondContact O-CD 3.48Å; P241-R244 PolarHBondContact O-N 3.46Å; P241-L245 WeakPolarHBondContact O-CB 3.34Å; P241-L245 PolarHBondContact O-N 2.73Å |
| 242 | L | 53.9 | Low | 56.7 | Low | 29 Ų | 29 | 67 Ų | 67 | 15% | 0.152 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.9 | -44.1 | 177.5 | -70.6 | 169.9 | 0 | 0 | 0 | 111.4 | V239 S240 R244 L245 E246 V288 L325 L332 | V239-L242 WeakPolarHBondContact O-CB 2.91Å; V239-L242 PolarHBondContact O-N 3.42Å; V239-L242 VanDerWaalsContact O-N 3.13Å; S240-L242 VanDerWaalsContact C-N 3.33Å; S240-L242 PolarHBondContact O-N 3.44Å; L242-R244 VanDerWaalsContact C-N 3.33Å; L242-R244 PolarHBondContact O-N 3.49Å; L242-L245 PolarHBondContact O-N 3.44Å; L242-E246 WeakPolarHBondContact O-CB 3.42Å; L242-E246 PolarHBondContact O-N 3.05Å; L242-V288 HydrophobicContact CD2-CG2 4.34Å; L242-L325 HydrophobicContact CD2-CD2 3.87Å; L242-L332 HydrophobicContact CD1-CD1 3.33Å |
| 243 | E | 58.6 | Low | 57 | Low | 68 Ų | 68 | 65.8 Ų | 65.8 | 32% | 0.318 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.1 | -38.7 | 176.2 | -68 | -172.9 | 148.8 | 0 | 0 | 112.1 | V239 S240 Q247 R329 | V239-E243 HydrophobicContact CG1-CG 4.12Å; V239-E243 PolarHBondContact O-N 3.46Å; S240-E243 PolarHBondContact O-N 2.94Å; E243-Q247 VanDerWaalsContact O-CG 3.3Å; E243-Q247 WeakPolarHBondContact O-CG 3.5Å; E243-Q247 PolarHBondContact O-N 3.45Å; E243-Q247 VanDerWaalsContact O-N 3.1Å; E243-R329 IonicContact OE1-CZ 2.71Å; E243-R329 IonicContact OE1-NE 3.84Å; E243-R329 PolarHBondContact OE1-NE 3.16Å; E243-R329 IonicContact OE1-NH2 2.67Å; E243-R329 PolarHBondContact OE1-NH2 3.18Å |
| 244 | R | 58.9 | Low | 57.3 | Low | 130 Ų | 130 | 63.3 Ų | 63.3 | 49% | 0.491 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66.4 | -40.6 | 174.1 | -69.2 | -178.5 | -157.4 | 165.2 | 3.7 | 112.2 | S240 P241 L242 Q247 R248 D283 | S240-R244 WeakPolarHBondContact O-CG 3.38Å; S240-R244 PolarHBondContact O-N 3.29Å; S240-R244 VanDerWaalsContact O-N 3.16Å; P241-R244 PolarHBondContact O-N 3.46Å; L242-R244 VanDerWaalsContact C-N 3.33Å; L242-R244 PolarHBondContact O-N 3.49Å; R244-Q247 PolarHBondContact O-N 2.84Å; R244-R248 VanDerWaalsContact O-CG 3.27Å; R244-R248 WeakPolarHBondContact O-CG 3.23Å; R244-R248 PolarHBondContact O-N 3.13Å; R244-D283 IonicContact NH1-OD1 3.38Å; R244-D283 PolarHBondContact NH1-OD1 3.21Å; R244-D283 IonicContact NH1-OD2 3.67Å |
| 245 | L | 56.1 | Low | 57.5 | Low | 30 Ų | 30 | 61.7 Ų | 61.7 | 16% | 0.157 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65 | -43.5 | 179.1 | -174.1 | 70.2 | 0 | 0 | 0 | 111.1 | P241 L242 R248 L249 V288 L325 | P241-L245 WeakPolarHBondContact O-CB 3.34Å; P241-L245 PolarHBondContact O-N 2.73Å; L242-L245 PolarHBondContact O-N 3.44Å; L245-R248 PolarHBondContact O-N 2.96Å; L245-L249 WeakPolarHBondContact O-CB 3.38Å; L245-L249 PolarHBondContact O-N 2.98Å; L245-V288 HydrophobicContact CD1-CG1 4.19Å; L245-V288 HydrophobicContact CD2-CB 4.44Å; L245-V288 HydrophobicContact CD2-CG1 3.51Å; L245-V288 HydrophobicContact CD2-CG2 4.05Å; L245-V288 HydrophobicContact CG-CG1 4.48Å; L245-L325 HydrophobicContact CD2-CD1 3.61Å; L245-L325 HydrophobicContact CD2-CD2 3.82Å; L245-L325 HydrophobicContact CD2-CG 4.39Å; L245-L325 HydrophobicContact CG-CD1 4.02Å |
| 246 | E | 57.1 | Low | 57.7 | Low | 32 Ų | 32 | 61 Ų | 61 | 15% | 0.15 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57 | -52.5 | 174.6 | -172.9 | -176 | 162.5 | 0 | 0 | 111 | L242 R248 L249 D250 L326 R329 | L242-E246 WeakPolarHBondContact O-CB 3.42Å; L242-E246 PolarHBondContact O-N 3.05Å; E246-R248 VanDerWaalsContact C-N 3.28Å; E246-R248 PolarHBondContact O-N 3.45Å; E246-L249 PolarHBondContact O-N 3.47Å; E246-L249 VanDerWaalsContact O-N 3.09Å; E246-D250 PolarHBondContact O-N 3.43Å; E246-L326 WeakPolarHBondContact OE1-CD2 3.21Å; E246-R329 WeakPolarHBondContact OE2-CD 3.5Å; E246-R329 IonicContact OE2-NE 3.91Å |
| 247 | Q | 62.9 | Low | 58.2 | Low | 120 Ų | 120 | 64.2 Ų | 64.2 | 56% | 0.561 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -57.4 | -38.8 | 177.5 | -73.5 | 174.1 | 5.7 | 0 | 0 | 113 | E243 R244 Q251 | E243-Q247 VanDerWaalsContact O-CG 3.3Å; E243-Q247 WeakPolarHBondContact O-CG 3.5Å; E243-Q247 PolarHBondContact O-N 3.45Å; E243-Q247 VanDerWaalsContact O-N 3.1Å; R244-Q247 PolarHBondContact O-N 2.84Å; Q247-Q251 VanDerWaalsContact O-CG 3.28Å; Q247-Q251 WeakPolarHBondContact O-CG 3.37Å; Q247-Q251 PolarHBondContact O-N 3.3Å; Q247-Q251 VanDerWaalsContact O-N 3.11Å |
| 248 | R | 57.9 | Low | 58.6 | Low | 74 Ų | 74 | 63.2 Ų | 63.2 | 28% | 0.279 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -71.5 | -38.1 | 177.6 | -72 | 176 | 74.2 | 162.9 | 11.8 | 111.9 | R244 L245 E246 Q251 C252 K278 A279 | R244-R248 VanDerWaalsContact O-CG 3.27Å; R244-R248 WeakPolarHBondContact O-CG 3.23Å; R244-R248 PolarHBondContact O-N 3.13Å; L245-R248 PolarHBondContact O-N 2.96Å; E246-R248 VanDerWaalsContact C-N 3.28Å; E246-R248 PolarHBondContact O-N 3.45Å; R248-Q251 WeakPolarHBondContact O-CB 3.44Å; R248-Q251 PolarHBondContact O-N 2.93Å; R248-C252 PolarHBondContact O-N 3.22Å; R248-C252 PolarHBondContact O-SG 2.83Å; R248-K278 PolarHBondContact NH2-O 3.09Å; R248-A279 VanDerWaalsContact CZ-CA 3.47Å |
| 249 | L | 57.1 | Low | 59 | Low | 21 Ų | 21 | 59 Ų | 59 | 11% | 0.11 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.8 | -40.4 | 176.9 | -159.2 | 95.8 | 0 | 0 | 0 | 110.9 | L245 E246 Q251 C252 L253 L318 Q322 | L245-L249 WeakPolarHBondContact O-CB 3.38Å; L245-L249 PolarHBondContact O-N 2.98Å; E246-L249 PolarHBondContact O-N 3.47Å; E246-L249 VanDerWaalsContact O-N 3.09Å; L249-Q251 VanDerWaalsContact C-N 3.34Å; L249-Q251 PolarHBondContact O-N 2.99Å; L249-C252 WeakPolarHBondContact O-CB 3.27Å; L249-C252 PolarHBondContact O-N 3.27Å; L249-L253 HydrophobicContact CD2-CD1 4.41Å; L249-L253 WeakPolarHBondContact O-CG 3.36Å; L249-L253 PolarHBondContact O-N 2.95Å; L249-L318 HydrophobicContact CD1-CD2 4.12Å; L249-Q322 VanDerWaalsContact CD2-CA 3.49Å; L249-Q322 HydrophobicContact CD2-CB 3.35Å; L249-Q322 HydrophobicContact CD2-CG 3.78Å |
| 250 | D | 63.8 | Low | 59.1 | Low | 68 Ų | 68 | 63.3 Ų | 63.3 | 36% | 0.364 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -57.8 | -45 | 171.7 | -85.3 | -38.7 | 0 | 0 | 0 | 112 | E246 C252 L253 A254 Q322 | E246-D250 PolarHBondContact O-N 3.43Å; D250-C252 PolarHBondContact O-N 2.86Å; D250-L253 PolarHBondContact O-N 3.11Å; D250-A254 WeakPolarHBondContact O-CB 3.47Å; D250-A254 PolarHBondContact O-N 3.17Å; D250-Q322 PolarHBondContact OD1-NE2 3.41Å |
| 251 | Q | 60.7 | Low | 59.3 | Low | 125 Ų | 125 | 69.2 Ų | 69.2 | 58% | 0.584 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -61.5 | -42.7 | 175.3 | -73.7 | 169.4 | 7.9 | 0 | 0 | 112 | Q247 R248 L249 A254 T255 | Q247-Q251 VanDerWaalsContact O-CG 3.28Å; Q247-Q251 WeakPolarHBondContact O-CG 3.37Å; Q247-Q251 PolarHBondContact O-N 3.3Å; Q247-Q251 VanDerWaalsContact O-N 3.11Å; R248-Q251 WeakPolarHBondContact O-CB 3.44Å; R248-Q251 PolarHBondContact O-N 2.93Å; L249-Q251 VanDerWaalsContact C-N 3.34Å; L249-Q251 PolarHBondContact O-N 2.99Å; Q251-A254 PolarHBondContact O-N 3.28Å; Q251-T255 WeakPolarHBondContact O-CB 3.38Å; Q251-T255 PolarHBondContact O-N 3.5Å; Q251-T255 PolarHBondContact O-OG1 3.02Å |
| 252 | C | 57.5 | Low | 59.4 | Low | 33 Ų | 33 | 71.1 Ų | 71.1 | 22% | 0.223 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.5 | -46.4 | 175.3 | -71 | 0 | 0 | 0 | 0 | 111.7 | R248 L249 D250 T255 L256 V275 | R248-C252 PolarHBondContact O-N 3.22Å; R248-C252 PolarHBondContact O-SG 2.83Å; L249-C252 WeakPolarHBondContact O-CB 3.27Å; L249-C252 PolarHBondContact O-N 3.27Å; D250-C252 PolarHBondContact O-N 2.86Å; C252-T255 PolarHBondContact O-N 3.1Å; C252-L256 WeakPolarHBondContact O-CB 3.3Å; C252-L256 WeakPolarHBondContact O-CG 3.26Å; C252-L256 PolarHBondContact O-N 3.38Å; C252-V275 WeakPolarHBondContact SG-CG1 3.44Å |
| 253 | L | 60.5 | Low | 59.4 | Low | 4 Ų | 4 | 77.1 Ų | 77.1 | 2% | 0.021 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.3 | -42.4 | 178.4 | -76.6 | 171.3 | 0 | 0 | 0 | 111.8 | L249 D250 L256 R257 L315 L318 | L249-L253 HydrophobicContact CD2-CD1 4.41Å; L249-L253 WeakPolarHBondContact O-CG 3.36Å; L249-L253 PolarHBondContact O-N 2.95Å; D250-L253 PolarHBondContact O-N 3.11Å; L253-L256 PolarHBondContact O-N 3.28Å; L253-R257 WeakPolarHBondContact O-CB 3.46Å; L253-R257 VanDerWaalsContact O-CG 3.32Å; L253-R257 WeakPolarHBondContact O-CG 3.46Å; L253-R257 PolarHBondContact O-N 3.3Å; L253-L315 HydrophobicContact CD2-CD2 4.15Å; L253-L318 HydrophobicContact CD2-CB 3.71Å; L253-L318 HydrophobicContact CD2-CD1 4.29Å; L253-L318 HydrophobicContact CG-CB 4.45Å |
| 254 | A | 64.4 | Low | 59.1 | Low | 46 Ų | 46 | 80 Ų | 80 | 38% | 0.38 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.9 | -49.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | D250 Q251 L256 R257 E258 | D250-A254 WeakPolarHBondContact O-CB 3.47Å; D250-A254 PolarHBondContact O-N 3.17Å; Q251-A254 PolarHBondContact O-N 3.28Å; A254-L256 VanDerWaalsContact C-N 3.28Å; A254-L256 PolarHBondContact O-N 3.14Å; A254-R257 PolarHBondContact O-N 3.05Å; A254-E258 WeakPolarHBondContact O-CG 3.37Å; A254-E258 PolarHBondContact O-N 3.29Å |
| 255 | T | 60.6 | Low | 58.8 | Low | 89 Ų | 89 | 80.7 Ų | 80.7 | 55% | 0.546 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.3 | -39.1 | 178.8 | -50.1 | 0 | 0 | 0 | 0 | 111.6 | Q251 C252 A259 | Q251-T255 WeakPolarHBondContact O-CB 3.38Å; Q251-T255 PolarHBondContact O-N 3.5Å; Q251-T255 PolarHBondContact O-OG1 3.02Å; C252-T255 PolarHBondContact O-N 3.1Å; T255-A259 WeakPolarHBondContact O-CB 3.47Å; T255-A259 PolarHBondContact O-N 3.23Å; T255-A259 VanDerWaalsContact O-N 3.1Å |
| 256 | L | 56.8 | Low | 58.5 | Low | 7 Ų | 7 | 87.8 Ų | 87.8 | 4% | 0.037 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -71.1 | -40.7 | 178.2 | -74.3 | 169.2 | 0 | 0 | 0 | 112.5 | C252 L253 A254 E258 A259 E260 L272 F311 L315 L318 | C252-L256 WeakPolarHBondContact O-CB 3.3Å; C252-L256 WeakPolarHBondContact O-CG 3.26Å; C252-L256 PolarHBondContact O-N 3.38Å; L253-L256 PolarHBondContact O-N 3.28Å; A254-L256 VanDerWaalsContact C-N 3.28Å; A254-L256 PolarHBondContact O-N 3.14Å; L256-E258 VanDerWaalsContact C-N 3.33Å; L256-E258 PolarHBondContact O-N 3.36Å; L256-A259 CarbonylContact O-C 3.54Å; L256-A259 PolarHBondContact O-N 2.91Å; L256-A259 VanDerWaalsContact O-N 3.14Å; L256-E260 PolarHBondContact O-N 3.42Å; L256-L272 HydrophobicContact CD1-CD1 3.97Å; L256-L272 HydrophobicContact CD2-CD1 3.38Å; L256-L272 HydrophobicContact CG-CD1 4Å; L256-F311 HydrophobicContact CB-CZ 4.15Å; L256-F311 HydrophobicContact CD2-CE2 3.88Å; L256-F311 HydrophobicContact CD2-CZ 4.28Å; L256-F311 WeakPolarHBondContact O-CZ 3.49Å; L256-L315 HydrophobicContact CB-CD2 3.94Å; L256-L315 HydrophobicContact CD1-CD2 4.25Å; L256-L318 HydrophobicContact CD1-CD1 3.45Å; L256-L318 VanDerWaalsContact CD1-CD1 3.45Å |
| 257 | R | 65.1 | Low | 58 | Low | 127 Ų | 127 | 91 Ų | 91 | 48% | 0.479 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.7 | -41 | 176 | -73.6 | 175.2 | -176.7 | 166.4 | 5.6 | 111.3 | L253 A254 A259 E260 E261 Q319 | L253-R257 WeakPolarHBondContact O-CB 3.46Å; L253-R257 VanDerWaalsContact O-CG 3.32Å; L253-R257 WeakPolarHBondContact O-CG 3.46Å; L253-R257 PolarHBondContact O-N 3.3Å; A254-R257 PolarHBondContact O-N 3.05Å; R257-A259 VanDerWaalsContact C-N 3.28Å; R257-A259 PolarHBondContact O-N 3.45Å; R257-E260 WeakPolarHBondContact O-CB 3.34Å; R257-E260 PolarHBondContact O-N 3.05Å; R257-E260 VanDerWaalsContact O-N 3.15Å; R257-E261 PolarHBondContact O-N 2.95Å; R257-Q319 VanDerWaalsContact NH2-OE1 3.14Å |
| 258 | E | 64.6 | Low | 57.3 | Low | 129 Ų | 129 | 86.5 Ų | 86.5 | 60% | 0.603 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -61.4 | -36.1 | 172.5 | -71.8 | 176.6 | -176.1 | 0 | 0 | 112.5 | A254 L256 E261 T262 | A254-E258 WeakPolarHBondContact O-CG 3.37Å; A254-E258 PolarHBondContact O-N 3.29Å; L256-E258 VanDerWaalsContact C-N 3.33Å; L256-E258 PolarHBondContact O-N 3.36Å; E258-E261 PolarHBondContact O-N 3.38Å; E258-T262 PolarHBondContact O-N 3.48Å; E258-T262 PolarHBondContact O-OG1 2.93Å; E258-T262 VanDerWaalsContact O-OG1 3.04Å |
| 259 | A | 59.2 | Low | 56.8 | Low | 16 Ų | 16 | 89.5 Ų | 89.5 | 13% | 0.132 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -75.7 | -21.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | T255 L256 R257 T262 C268 | T255-A259 WeakPolarHBondContact O-CB 3.47Å; T255-A259 PolarHBondContact O-N 3.23Å; T255-A259 VanDerWaalsContact O-N 3.1Å; L256-A259 CarbonylContact O-C 3.54Å; L256-A259 PolarHBondContact O-N 2.91Å; L256-A259 VanDerWaalsContact O-N 3.14Å; R257-A259 VanDerWaalsContact C-N 3.28Å; R257-A259 PolarHBondContact O-N 3.45Å; A259-T262 WeakPolarHBondContact CA-OG1 3.29Å; A259-C268 WeakPolarHBondContact CB-SG 3.22Å |
| 260 | E | 56.4 | Low | 56.2 | Low | 105 Ų | 105 | 96.6 Ų | 96.6 | 49% | 0.491 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -72.4 | -35.5 | 171.1 | -164.3 | 173.7 | -168.2 | 0 | 0 | 111.3 | L256 R257 T262 F311 L315 | L256-E260 PolarHBondContact O-N 3.42Å; R257-E260 WeakPolarHBondContact O-CB 3.34Å; R257-E260 PolarHBondContact O-N 3.05Å; R257-E260 VanDerWaalsContact O-N 3.15Å; E260-T262 VanDerWaalsContact C-N 3.29Å; E260-F311 HydrophobicContact CB-CE1 3.6Å; E260-F311 HydrophobicContact CB-CZ 4.05Å; E260-F311 HydrophobicContact CG-CD1 4.13Å; E260-F311 HydrophobicContact CG-CE1 3.62Å; E260-L315 WeakPolarHBondContact OE2-CD1 3.47Å |
| 261 | E | 60.2 | Low | 55.6 | Low | 173 Ų | 173 | 95.6 Ų | 95.6 | 81% | 0.808 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -76.3 | -15.5 | 178.4 | -69 | -178.6 | 176.2 | 0 | 0 | 113.3 | R257 E258 | R257-E261 PolarHBondContact O-N 2.95Å; E258-E261 PolarHBondContact O-N 3.38Å |
| 262 | T | 55.3 | Low | 55 | Low | 68 Ų | 68 | 91.4 Ų | 91.4 | 42% | 0.417 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -109.5 | 139.2 | 177.2 | 52.6 | 0 | 0 | 0 | 0 | 110.3 | E258 A259 E260 H264 | E258-T262 PolarHBondContact O-N 3.48Å; E258-T262 PolarHBondContact O-OG1 2.93Å; E258-T262 VanDerWaalsContact O-OG1 3.04Å; A259-T262 WeakPolarHBondContact CA-OG1 3.29Å; E260-T262 VanDerWaalsContact C-N 3.29Å; T262-H264 PolarHBondContact O-N 3.28Å |
| 263 | D | 54.1 | Low | 54.6 | Low | 155 Ų | 155 | 93.3 Ų | 93.3 | 83% | 0.829 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -64.7 | 10.4 | 179.7 | -101.2 | -25.1 | 0 | 0 | 0 | 114 | K265 | D263-K265 PolarHBondContact O-N 3.13Š|
| 264 | H | 52.9 | Low | 54 | Low | 129 Ų | 129 | 99.1 Ų | 99.1 | 60% | 0.597 | 51% | 0.505 | S | S | * | . | trans | -83.1 | 50.3 | 179.6 | -71.5 | -52 | 0 | 0 | 0 | 113 | T262 E266 T267 | T262-H264 PolarHBondContact O-N 3.28Å; H264-E266 PolarHBondContact O-N 3.4Å; H264-T267 PolarHBondContact O-N 3.49Å; H264-T267 PolarHBondContact O-OG1 2.87Å | ||
| 265 | K | 52.6 | Low | 53.3 | Low | 143 Ų | 143 | 100.3 Ų | 100.3 | 62% | 0.622 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -20.6 | 178 | -71.4 | 177.6 | 179.4 | 167.3 | 0 | 114 | D263 | D263-K265 PolarHBondContact O-N 3.13Š|
| 266 | E | 48.4 | Very low | 52.6 | Low | 180 Ų | 180 | 97.5 Ų | 97.5 | 84% | 0.841 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -27.5 | -176.5 | -73.3 | -174 | 151 | 0 | 0 | 113.9 | H264 C268 | H264-E266 PolarHBondContact O-N 3.4Å; E266-C268 PolarHBondContact O-N 2.8Å |
| 267 | T | 47.4 | Very low | 52.2 | Low | 98 Ų | 98 | 101.1 Ų | 101.1 | 60% | 0.601 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -17.7 | -178.1 | 26.4 | 0 | 0 | 0 | 0 | 114.4 | H264 | H264-T267 PolarHBondContact O-N 3.49Å; H264-T267 PolarHBondContact O-OG1 2.87Å |
| 268 | C | 48.5 | Very low | 51.5 | Low | 26 Ų | 26 | 101.8 Ų | 101.8 | 18% | 0.176 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -79 | -21.7 | -178.2 | -71.2 | 0 | 0 | 0 | 0 | 114.5 | A259 E266 E270 | A259-C268 WeakPolarHBondContact CB-SG 3.22Å; E266-C268 PolarHBondContact O-N 2.8Å; C268-E270 VanDerWaalsContact C-N 3.31Å; C268-E270 PolarHBondContact O-N 3.24Å |
| 269 | K | 46.5 | Very low | 50.4 | Low | 137 Ų | 137 | 96.9 Ų | 96.9 | 60% | 0.596 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -68.8 | -27.6 | -176.2 | -84.6 | -177.8 | 178.2 | 172.2 | 0 | 113.5 | ||
| 270 | E | 45.6 | Very low | 49.8 | Very low | 170 Ų | 170 | 97.4 Ų | 97.4 | 79% | 0.794 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -97.3 | -26.7 | -177.9 | -67.2 | -175 | 163.1 | 0 | 0 | 113.3 | C268 | C268-E270 VanDerWaalsContact C-N 3.31Å; C268-E270 PolarHBondContact O-N 3.24Å |
| 271 | A | 49.8 | Very low | 49.3 | Very low | 47 Ų | 47 | 98.3 Ų | 98.3 | 39% | 0.388 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -79 | -33.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | E274 V275 | A271-E274 PolarHBondContact O-N 3.44Å; A271-V275 VanDerWaalsContact O-CG2 3.29Å; A271-V275 WeakPolarHBondContact O-CG2 3.17Å; A271-V275 PolarHBondContact O-N 2.8Å |
| 272 | L | 47.9 | Very low | 48.8 | Very low | 38 Ų | 38 | 97.5 Ų | 97.5 | 20% | 0.199 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -61.3 | -47.3 | -173.9 | -129.8 | 83.9 | 0 | 0 | 0 | 114.1 | L256 E274 V275 I276 L299 V314 | L256-L272 HydrophobicContact CD1-CD1 3.97Å; L256-L272 HydrophobicContact CD2-CD1 3.38Å; L256-L272 HydrophobicContact CG-CD1 4Å; L272-E274 VanDerWaalsContact C-N 3.3Å; L272-E274 PolarHBondContact O-N 3.25Å; L272-V275 PolarHBondContact O-N 3Å; L272-I276 HydrophobicContact CD2-CD1 4.35Å; L272-I276 HydrophobicContact CG-CD1 4.36Å; L272-I276 WeakPolarHBondContact O-CB 3.25Å; L272-I276 VanDerWaalsContact O-CG1 3.27Å; L272-I276 WeakPolarHBondContact O-CG1 3.47Å; L272-I276 PolarHBondContact O-N 3.08Å; L272-I276 VanDerWaalsContact O-N 3.11Å; L272-L299 HydrophobicContact CD2-CD1 4.5Å; L272-L299 HydrophobicContact CD2-CD2 3.86Å; L272-V314 HydrophobicContact CD2-CG1 4.02Å |
| 273 | P | 49.2 | Very low | 48.5 | Very low | 72 Ų | 72 | 97.3 Ų | 97.3 | 47% | 0.468 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64 | -35.4 | 179.7 | -21.5 | 33.6 | 0 | 0 | 0 | 112.5 | N277 | P273-N277 VanDerWaalsContact O-CB 3.26Å; P273-N277 WeakPolarHBondContact O-CB 3.37Å; P273-N277 PolarHBondContact O-N 3.17Å |
| 274 | E | 49.2 | Very low | 48.1 | Very low | 127 Ų | 127 | 93.5 Ų | 93.5 | 59% | 0.593 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -69.6 | -43 | 178.2 | -104.3 | -166.5 | 155.8 | 0 | 0 | 112.5 | A271 L272 I276 N277 K278 | A271-E274 PolarHBondContact O-N 3.44Å; L272-E274 VanDerWaalsContact C-N 3.3Å; L272-E274 PolarHBondContact O-N 3.25Å; E274-I276 VanDerWaalsContact C-N 3.32Å; E274-I276 PolarHBondContact O-N 3.38Å; E274-N277 PolarHBondContact O-N 3.1Å; E274-K278 PolarHBondContact O-N 3.35Å |
| 275 | V | 49.3 | Very low | 48 | Very low | 71 Ų | 71 | 89 Ų | 89 | 43% | 0.43 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.4 | -39.6 | 178.1 | 175 | 0 | 0 | 0 | 0 | 110.9 | C252 A271 L272 A279 | C252-V275 WeakPolarHBondContact SG-CG1 3.44Å; A271-V275 VanDerWaalsContact O-CG2 3.29Å; A271-V275 WeakPolarHBondContact O-CG2 3.17Å; A271-V275 PolarHBondContact O-N 2.8Å; L272-V275 PolarHBondContact O-N 3Å; V275-A279 PolarHBondContact O-N 3.11Å |
| 276 | I | 46.2 | Very low | 47.6 | Very low | 29 Ų | 29 | 88 Ų | 88 | 15% | 0.149 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -73.3 | -37.3 | 177.6 | -65 | 170.1 | 0 | 0 | 0 | 111.7 | L272 E274 A279 T280 K296 L299 | L272-I276 HydrophobicContact CD2-CD1 4.35Å; L272-I276 HydrophobicContact CG-CD1 4.36Å; L272-I276 WeakPolarHBondContact O-CB 3.25Å; L272-I276 VanDerWaalsContact O-CG1 3.27Å; L272-I276 WeakPolarHBondContact O-CG1 3.47Å; L272-I276 PolarHBondContact O-N 3.08Å; L272-I276 VanDerWaalsContact O-N 3.11Å; E274-I276 VanDerWaalsContact C-N 3.32Å; E274-I276 PolarHBondContact O-N 3.38Å; I276-A279 WeakPolarHBondContact O-CB 3.5Å; I276-A279 PolarHBondContact O-N 3.33Å; I276-A279 VanDerWaalsContact O-N 3.14Å; I276-T280 PolarHBondContact O-N 2.71Å; I276-T280 PolarHBondContact O-OG1 3.42Å; I276-K296 HydrophobicContact CG2-CG 4.28Å; I276-L299 HydrophobicContact CD1-CD1 3.36Å |
| 277 | N | 48.3 | Very low | 47.8 | Very low | 84 Ų | 84 | 85.7 Ų | 85.7 | 45% | 0.449 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -69.7 | -37 | 176.3 | -86.4 | -19.1 | 0 | 0 | 0 | 112.7 | P273 E274 A279 T280 K296 | P273-N277 VanDerWaalsContact O-CB 3.26Å; P273-N277 WeakPolarHBondContact O-CB 3.37Å; P273-N277 PolarHBondContact O-N 3.17Å; E274-N277 PolarHBondContact O-N 3.1Å; N277-A279 PolarHBondContact O-N 3.06Å; N277-T280 PolarHBondContact O-N 3.4Å; N277-T280 PolarHBondContact O-OG1 3.31Å; N277-K296 WeakPolarHBondContact OD1-CE 3.28Å; N277-K296 PolarHBondContact OD1-NZ 3.48Å |
| 278 | K | 49 | Very low | 47.9 | Very low | 141 Ų | 141 | 82.4 Ų | 82.4 | 61% | 0.613 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -66.8 | -17 | 170 | -77.6 | 179 | 178.9 | 168.7 | 0 | 113.1 | R248 E274 | R248-K278 PolarHBondContact NH2-O 3.09Å; E274-K278 PolarHBondContact O-N 3.35Å |
| 279 | A | 43 | Very low | 47.8 | Very low | 25 Ų | 25 | 84.6 Ų | 84.6 | 21% | 0.207 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -85.5 | -23.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | R248 V275 I276 N277 | R248-A279 VanDerWaalsContact CZ-CA 3.47Å; V275-A279 PolarHBondContact O-N 3.11Å; I276-A279 WeakPolarHBondContact O-CB 3.5Å; I276-A279 PolarHBondContact O-N 3.33Å; I276-A279 VanDerWaalsContact O-N 3.14Å; N277-A279 PolarHBondContact O-N 3.06Å |
| 280 | T | 45.2 | Very low | 48.3 | Very low | 28 Ų | 28 | 85.6 Ų | 85.6 | 17% | 0.172 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -93.9 | -13.3 | -170.5 | 26.6 | 0 | 0 | 0 | 0 | 114.5 | I276 N277 L289 C292 K296 | I276-T280 PolarHBondContact O-N 2.71Å; I276-T280 PolarHBondContact O-OG1 3.42Å; N277-T280 PolarHBondContact O-N 3.4Å; N277-T280 PolarHBondContact O-OG1 3.31Å; T280-L289 HydrophobicContact CG2-CD2 4.49Å; T280-C292 HydrophobicContact CG2-CB 3.53Å; T280-K296 PolarHBondContact OG1-NZ 3.43Å |
| 281 | V | 47.7 | Very low | 48.6 | Very low | 124 Ų | 124 | 79.8 Ų | 79.8 | 75% | 0.752 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -95.2 | -18.8 | -170.5 | 178.5 | 0 | 0 | 0 | 0 | 113.9 | ||
| 282 | E | 49.1 | Very low | 48.7 | Very low | 156 Ų | 156 | 78.4 Ų | 78.4 | 73% | 0.729 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -100.9 | -14.8 | -167.6 | -71.2 | -176.1 | 161 | 0 | 0 | 116.7 | ||
| 283 | D | 49 | Very low | 49 | Very low | 63 Ų | 63 | 82.4 Ų | 82.4 | 34% | 0.337 | 45% | 0.45 | S | S | . | . | trans | -127.2 | 15.4 | -161.9 | -93.2 | -28.1 | 0 | 0 | 0 | 117.7 | R244 S285 | R244-D283 IonicContact NH1-OD1 3.38Å; R244-D283 PolarHBondContact NH1-OD1 3.21Å; R244-D283 IonicContact NH1-OD2 3.67Å; D283-S285 PolarHBondContact O-N 3.29Å | ||
| 284 | G | 45.5 | Very low | 49.3 | Very low | 76 Ų | 76 | 83.3 Ų | 83.3 | 78% | 0.784 | 45% | 0.448 | S | S | * | . | trans | 55 | 6.3 | 153.2 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 285 | S | 49.8 | Very low | 49.4 | Very low | 34 Ų | 34 | 78 Ų | 78 | 24% | 0.238 | 42% | 0.424 | C | S | . | . | trans | -94 | 122 | -177.8 | 59.4 | 0 | 0 | 0 | 0 | 111.8 | D283 D287 V288 L289 | D283-S285 PolarHBondContact O-N 3.29Å; S285-D287 VanDerWaalsContact C-N 3.32Å; S285-D287 PolarHBondContact O-N 2.99Å; S285-V288 PolarHBondContact O-N 2.88Å; S285-V288 WeakPolarHBondContact OG-CB 3.29Å; S285-V288 WeakPolarHBondContact OG-CG2 3.49Å; S285-L289 PolarHBondContact O-N 3.09Å | ||
| 286 | V | 45.3 | Very low | 49.6 | Very low | 123 Ų | 123 | 78.1 Ų | 78.1 | 75% | 0.745 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -69.6 | -22.6 | -166.6 | 176.5 | 0 | 0 | 0 | 0 | 113.5 | ||
| 287 | D | 53.2 | Low | 50.1 | Low | 131 Ų | 131 | 82.5 Ų | 82.5 | 70% | 0.701 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -91.7 | -23.7 | 177.9 | -86.1 | -36.5 | 0 | 0 | 0 | 114.5 | S285 L291 | S285-D287 VanDerWaalsContact C-N 3.32Å; S285-D287 PolarHBondContact O-N 2.99Å; D287-L291 PolarHBondContact O-N 3.26Å |
| 288 | V | 47.9 | Very low | 50.2 | Low | 28 Ų | 28 | 82.6 Ų | 82.6 | 17% | 0.17 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -73.3 | -35.3 | 173.7 | 172.9 | 0 | 0 | 0 | 0 | 110.6 | L242 L245 S285 R290 L291 C292 | L242-V288 HydrophobicContact CD2-CG2 4.34Å; L245-V288 HydrophobicContact CD1-CG1 4.19Å; L245-V288 HydrophobicContact CD2-CB 4.44Å; L245-V288 HydrophobicContact CD2-CG1 3.51Å; L245-V288 HydrophobicContact CD2-CG2 4.05Å; L245-V288 HydrophobicContact CG-CG1 4.48Å; S285-V288 PolarHBondContact O-N 2.88Å; S285-V288 WeakPolarHBondContact OG-CB 3.29Å; S285-V288 WeakPolarHBondContact OG-CG2 3.49Å; V288-R290 VanDerWaalsContact C-N 3.29Å; V288-R290 PolarHBondContact O-N 2.89Å; V288-L291 PolarHBondContact O-N 3.29Å; V288-C292 WeakPolarHBondContact O-CB 3.42Å; V288-C292 PolarHBondContact O-N 3.4Å; V288-C292 PolarHBondContact O-SG 2.9Å; V288-C292 VanDerWaalsContact O-SG 3.34Å |
| 289 | L | 47 | Very low | 50.1 | Low | 73 Ų | 73 | 77.6 Ų | 77.6 | 38% | 0.382 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -57.4 | -42.1 | 174.8 | -81.2 | 165 | 0 | 0 | 0 | 112.1 | T280 S285 C292 E293 | T280-L289 HydrophobicContact CG2-CD2 4.49Å; S285-L289 PolarHBondContact O-N 3.09Å; L289-C292 PolarHBondContact O-N 2.91Å; L289-E293 WeakPolarHBondContact O-CB 3.46Å; L289-E293 WeakPolarHBondContact O-CG 3.13Å; L289-E293 PolarHBondContact O-N 3.3Å |
| 290 | R | 57.7 | Low | 50.4 | Low | 157 Ų | 157 | 80.5 Ų | 80.5 | 59% | 0.592 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -64.1 | -43.5 | 177.1 | -176.9 | -178.7 | 161.1 | 175.3 | -3.6 | 111.9 | V288 C292 E293 E294 | V288-R290 VanDerWaalsContact C-N 3.29Å; V288-R290 PolarHBondContact O-N 2.89Å; R290-C292 VanDerWaalsContact C-N 3.35Å; R290-E293 PolarHBondContact O-N 3.11Å; R290-E294 IonicContact CZ-OE1 3.58Å; R290-E294 IonicContact NE-OE1 3.85Å; R290-E294 PolarHBondContact NE-OE1 2.95Å; R290-E294 IonicContact NH2-OE1 3.27Å; R290-E294 PolarHBondContact O-N 2.87Å |
| 291 | L | 51.1 | Low | 50.4 | Low | 49 Ų | 49 | 83 Ų | 83 | 26% | 0.257 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.1 | -39 | 178.1 | -127.6 | 144.2 | 0 | 0 | 0 | 111.1 | D287 V288 L295 C321 V324 | D287-L291 PolarHBondContact O-N 3.26Å; V288-L291 PolarHBondContact O-N 3.29Å; L291-L295 WeakPolarHBondContact O-CB 3.27Å; L291-L295 PolarHBondContact O-N 3.34Å; L291-C321 HydrophobicContact CD2-CB 4.1Å; L291-V324 HydrophobicContact CD1-CG1 4.26Å |
| 292 | C | 52.3 | Low | 50.2 | Low | 18 Ų | 18 | 79.2 Ų | 79.2 | 12% | 0.122 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -68.3 | -34.8 | 172.5 | -70.3 | 0 | 0 | 0 | 0 | 113.2 | T280 V288 L289 R290 L295 K296 | T280-C292 HydrophobicContact CG2-CB 3.53Å; V288-C292 WeakPolarHBondContact O-CB 3.42Å; V288-C292 PolarHBondContact O-N 3.4Å; V288-C292 PolarHBondContact O-SG 2.9Å; V288-C292 VanDerWaalsContact O-SG 3.34Å; L289-C292 PolarHBondContact O-N 2.91Å; R290-C292 VanDerWaalsContact C-N 3.35Å; C292-L295 PolarHBondContact O-N 3.36Å; C292-K296 WeakPolarHBondContact O-CB 3.5Å; C292-K296 VanDerWaalsContact O-CG 3.31Å; C292-K296 WeakPolarHBondContact O-CG 3.41Å; C292-K296 PolarHBondContact O-N 3.36Å |
| 293 | E | 54.6 | Low | 49.8 | Very low | 121 Ų | 121 | 76.2 Ų | 76.2 | 57% | 0.565 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -68.4 | -42.3 | 174.4 | -81.3 | -176.4 | 169.3 | 0 | 0 | 111.8 | L289 R290 L295 K296 L297 | L289-E293 WeakPolarHBondContact O-CB 3.46Å; L289-E293 WeakPolarHBondContact O-CG 3.13Å; L289-E293 PolarHBondContact O-N 3.3Å; R290-E293 PolarHBondContact O-N 3.11Å; E293-L295 VanDerWaalsContact C-N 3.31Å; E293-L295 PolarHBondContact O-N 2.84Å; E293-K296 PolarHBondContact O-N 3.22Å; E293-L297 WeakPolarHBondContact O-CB 3.18Å; E293-L297 WeakPolarHBondContact O-CG 3.42Å; E293-L297 PolarHBondContact O-N 3.15Å |
| 294 | E | 54.2 | Low | 49.4 | Very low | 91 Ų | 91 | 78.1 Ų | 78.1 | 43% | 0.425 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.6 | -40.6 | 172.6 | -75.7 | 177.2 | -167.9 | 0 | 0 | 110.9 | R290 L297 N298 | R290-E294 IonicContact CZ-OE1 3.58Å; R290-E294 IonicContact NE-OE1 3.85Å; R290-E294 PolarHBondContact NE-OE1 2.95Å; R290-E294 IonicContact NH2-OE1 3.27Å; R290-E294 PolarHBondContact O-N 2.87Å; E294-L297 PolarHBondContact O-N 3.44Å; E294-N298 WeakPolarHBondContact O-CB 3.34Å; E294-N298 VanDerWaalsContact O-CG 3.31Å; E294-N298 PolarHBondContact O-N 3.44Å; E294-N298 PolarHBondContact O-ND2 2.88Å |
| 295 | L | 51.8 | Low | 49.2 | Very low | 17 Ų | 17 | 78 Ų | 78 | 9% | 0.089 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -63.6 | -44 | 173.1 | -124.3 | 155.3 | 0 | 0 | 0 | 112.2 | L291 C292 E293 N298 L299 L318 C321 | L291-L295 WeakPolarHBondContact O-CB 3.27Å; L291-L295 PolarHBondContact O-N 3.34Å; C292-L295 PolarHBondContact O-N 3.36Å; E293-L295 VanDerWaalsContact C-N 3.31Å; E293-L295 PolarHBondContact O-N 2.84Å; L295-N298 PolarHBondContact O-N 2.86Å; L295-L299 HydrophobicContact CD2-CD1 3.65Å; L295-L299 HydrophobicContact CD2-CG 4.16Å; L295-L299 VanDerWaalsContact O-CB 3.28Å; L295-L299 WeakPolarHBondContact O-CB 3.49Å; L295-L299 WeakPolarHBondContact O-CD1 3.35Å; L295-L299 VanDerWaalsContact O-CG 3.25Å; L295-L299 WeakPolarHBondContact O-CG 3.37Å; L295-L299 PolarHBondContact O-N 2.96Å; L295-L318 HydrophobicContact CD1-CD2 4.3Å; L295-L318 HydrophobicContact CD2-CD2 3.65Å; L295-L318 HydrophobicContact CD2-CG 4.36Å; L295-C321 HydrophobicContact CD1-CB 3.71Å; L295-C321 WeakPolarHBondContact CD1-SG 3.5Å |
| 296 | K | 54.1 | Low | 48.9 | Very low | 73 Ų | 73 | 85.6 Ų | 85.6 | 32% | 0.317 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 175.5 | -80.9 | 177.2 | 179.8 | -178.8 | 0 | 111.7 | I276 N277 T280 C292 E293 L299 A300 | I276-K296 HydrophobicContact CG2-CG 4.28Å; N277-K296 WeakPolarHBondContact OD1-CE 3.28Å; N277-K296 PolarHBondContact OD1-NZ 3.48Å; T280-K296 PolarHBondContact OG1-NZ 3.43Å; C292-K296 WeakPolarHBondContact O-CB 3.5Å; C292-K296 VanDerWaalsContact O-CG 3.31Å; C292-K296 WeakPolarHBondContact O-CG 3.41Å; C292-K296 PolarHBondContact O-N 3.36Å; E293-K296 PolarHBondContact O-N 3.22Å; K296-L299 PolarHBondContact O-N 3.47Å; K296-A300 VanDerWaalsContact O-CB 3.22Å; K296-A300 WeakPolarHBondContact O-CB 3.44Å; K296-A300 PolarHBondContact O-N 3.47Å |
| 297 | L | 55.7 | Low | 49 | Very low | 120 Ų | 120 | 84.9 Ų | 84.9 | 63% | 0.628 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -65 | -44.6 | 176.5 | -79.7 | 162.2 | 0 | 0 | 0 | 111.5 | E293 E294 A300 S301 | E293-L297 WeakPolarHBondContact O-CB 3.18Å; E293-L297 WeakPolarHBondContact O-CG 3.42Å; E293-L297 PolarHBondContact O-N 3.15Å; E294-L297 PolarHBondContact O-N 3.44Å; L297-A300 PolarHBondContact O-N 3.27Å; L297-S301 PolarHBondContact O-N 3.37Å; L297-S301 VanDerWaalsContact O-N 3.1Å |
| 298 | N | 50.6 | Low | 48.9 | Very low | 86 Ų | 86 | 81.3 Ų | 81.3 | 46% | 0.46 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.7 | -42.7 | 176.6 | -75.1 | -25 | 0 | 0 | 0 | 111.3 | E294 L295 S301 I302 | E294-N298 WeakPolarHBondContact O-CB 3.34Å; E294-N298 VanDerWaalsContact O-CG 3.31Å; E294-N298 PolarHBondContact O-N 3.44Å; E294-N298 PolarHBondContact O-ND2 2.88Å; L295-N298 PolarHBondContact O-N 2.86Å; N298-S301 PolarHBondContact O-N 3.2Å; N298-S301 PolarHBondContact O-OG 3.08Å; N298-I302 WeakPolarHBondContact O-CG1 3.36Å |
| 299 | L | 48.2 | Very low | 49.2 | Very low | 37 Ų | 37 | 83.1 Ų | 83.1 | 19% | 0.194 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -64.6 | -40.9 | 175.2 | -76.9 | 165.1 | 0 | 0 | 0 | 112.8 | L272 I276 L295 K296 S301 I302 V314 | L272-L299 HydrophobicContact CD2-CD1 4.5Å; L272-L299 HydrophobicContact CD2-CD2 3.86Å; I276-L299 HydrophobicContact CD1-CD1 3.36Å; L295-L299 HydrophobicContact CD2-CD1 3.65Å; L295-L299 HydrophobicContact CD2-CG 4.16Å; L295-L299 VanDerWaalsContact O-CB 3.28Å; L295-L299 WeakPolarHBondContact O-CB 3.49Å; L295-L299 WeakPolarHBondContact O-CD1 3.35Å; L295-L299 VanDerWaalsContact O-CG 3.25Å; L295-L299 WeakPolarHBondContact O-CG 3.37Å; L295-L299 PolarHBondContact O-N 2.96Å; K296-L299 PolarHBondContact O-N 3.47Å; L299-S301 PolarHBondContact O-N 3.44Å; L299-I302 PolarHBondContact O-N 2.8Å; L299-I302 VanDerWaalsContact O-N 3.17Å; L299-V314 HydrophobicContact CD2-CB 4.4Å; L299-V314 HydrophobicContact CD2-CG1 3.76Å; L299-V314 HydrophobicContact CD2-CG2 3.89Å |
| 300 | A | 48.8 | Very low | 49.3 | Very low | 85 Ų | 85 | 80.1 Ų | 80.1 | 70% | 0.702 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -66.2 | -24.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | K296 L297 I302 | K296-A300 VanDerWaalsContact O-CB 3.22Å; K296-A300 WeakPolarHBondContact O-CB 3.44Å; K296-A300 PolarHBondContact O-N 3.47Å; L297-A300 PolarHBondContact O-N 3.27Å; A300-I302 VanDerWaalsContact C-N 3.32Å |
| 301 | S | 44.8 | Very low | 49 | Very low | 81 Ų | 81 | 75.3 Ų | 75.3 | 57% | 0.566 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -13.2 | 175.7 | 79.9 | 0 | 0 | 0 | 0 | 114 | L297 N298 L299 S303 | L297-S301 PolarHBondContact O-N 3.37Å; L297-S301 VanDerWaalsContact O-N 3.1Å; N298-S301 PolarHBondContact O-N 3.2Å; N298-S301 PolarHBondContact O-OG 3.08Å; L299-S301 PolarHBondContact O-N 3.44Å; S301-S303 PolarHBondContact O-N 3.33Å |
| 302 | I | 42.7 | Very low | 49.4 | Very low | 44 Ų | 44 | 78.8 Ų | 78.8 | 23% | 0.226 | 45% | 0.446 | C | S | . | . | trans | -85.5 | 66.6 | 178.1 | -58.6 | 165.9 | 0 | 0 | 0 | 107.5 | N298 L299 A300 V304 R313 V314 | N298-I302 WeakPolarHBondContact O-CG1 3.36Å; L299-I302 PolarHBondContact O-N 2.8Å; L299-I302 VanDerWaalsContact O-N 3.17Å; A300-I302 VanDerWaalsContact C-N 3.32Å; I302-V304 PolarHBondContact O-N 2.98Å; I302-R313 HydrophobicContact CD1-CB 4.39Å; I302-V314 HydrophobicContact CD1-CB 4.47Å; I302-V314 HydrophobicContact CD1-CG2 3.46Å; I302-V314 VanDerWaalsContact CD1-CG2 3.46Å; I302-V314 HydrophobicContact CG2-CG2 4.34Å | ||
| 303 | S | 41.2 | Very low | 49.6 | Very low | 93 Ų | 93 | 84.9 Ų | 84.9 | 65% | 0.65 | 47% | 0.466 | S | S | * | . | trans | -67.2 | 118.4 | 166.8 | 49.4 | 0 | 0 | 0 | 0 | 108.9 | S301 T305 | S301-S303 PolarHBondContact O-N 3.33Å; S303-T305 PolarHBondContact O-N 3.38Å | ||
| 304 | V | 41.9 | Very low | 49.5 | Very low | 103 Ų | 103 | 79.8 Ų | 79.8 | 62% | 0.624 | 44% | 0.444 | S | S | * | . | trans | -7.6 | 88.1 | 164.4 | -171.6 | 0 | 0 | 0 | 0 | 114.3 | I302 | I302-V304 PolarHBondContact O-N 2.98Š| ||
| 305 | T | 39.9 | Very low | 49.8 | Very low | 75 Ų | 75 | 76.7 Ų | 76.7 | 46% | 0.46 | 43% | 0.43 | S | S | . | . | trans | -97.7 | 130.2 | 154.3 | 51.2 | 0 | 0 | 0 | 0 | 107.1 | S303 D307 | S303-T305 PolarHBondContact O-N 3.38Å; T305-D307 PolarHBondContact O-N 2.75Å | ||
| 306 | E | 43.5 | Very low | 50.2 | Low | 193 Ų | 193 | 80.9 Ų | 80.9 | 90% | 0.902 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -63.7 | -1.2 | -178.6 | -68.2 | -179.7 | 153.4 | 0 | 0 | 113.7 | ||
| 307 | D | 48 | Very low | 50.2 | Low | 107 Ų | 107 | 79 Ų | 79 | 57% | 0.572 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -94.4 | 134.9 | -180 | -49.2 | -28 | 0 | 0 | 0 | 108.9 | T305 T309 G310 | T305-D307 PolarHBondContact O-N 2.75Å; D307-T309 HydrophobicContact CB-CG2 4.4Å; D307-T309 PolarHBondContact O-N 3.42Å; D307-T309 PolarHBondContact O-OG1 3Å; D307-G310 PolarHBondContact O-N 3.23Å |
| 308 | G | 50.7 | Low | 50.1 | Low | 56 Ų | 56 | 73.6 Ų | 73.6 | 58% | 0.577 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -0.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | G310 K312 | G308-G310 VanDerWaalsContact C-N 3.31Å; G308-G310 PolarHBondContact O-N 3.46Å; G308-K312 PolarHBondContact O-N 2.88Å |
| 309 | T | 53.7 | Low | 50.7 | Low | 67 Ų | 67 | 72.1 Ų | 72.1 | 41% | 0.411 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.7 | -32.7 | 170 | 55.1 | 0 | 0 | 0 | 0 | 113.2 | D307 R313 | D307-T309 HydrophobicContact CB-CG2 4.4Å; D307-T309 PolarHBondContact O-N 3.42Å; D307-T309 PolarHBondContact O-OG1 3Å; T309-R313 WeakPolarHBondContact O-CG 3.38Å; T309-R313 PolarHBondContact O-N 3.44Å; T309-R313 VanDerWaalsContact O-N 3.11Å |
| 310 | G | 50.7 | Low | 51.2 | Low | 9 Ų | 9 | 72.8 Ų | 72.8 | 9% | 0.093 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -65.6 | -48.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | D307 G308 R313 V314 | D307-G310 PolarHBondContact O-N 3.23Å; G308-G310 VanDerWaalsContact C-N 3.31Å; G308-G310 PolarHBondContact O-N 3.46Å; G310-R313 PolarHBondContact O-N 2.88Å; G310-V314 WeakPolarHBondContact O-CG2 3.39Å; G310-V314 PolarHBondContact O-N 3.32Å |
| 311 | F | 50.4 | Low | 51.5 | Low | 56 Ų | 56 | 69.7 Ų | 69.7 | 25% | 0.246 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -63.2 | -43.1 | 177.8 | -174 | -97.5 | 0 | 0 | 0 | 112 | L256 E260 R313 V314 L315 | L256-F311 HydrophobicContact CB-CZ 4.15Å; L256-F311 HydrophobicContact CD2-CE2 3.88Å; L256-F311 HydrophobicContact CD2-CZ 4.28Å; L256-F311 WeakPolarHBondContact O-CZ 3.49Å; E260-F311 HydrophobicContact CB-CE1 3.6Å; E260-F311 HydrophobicContact CB-CZ 4.05Å; E260-F311 HydrophobicContact CG-CD1 4.13Å; E260-F311 HydrophobicContact CG-CE1 3.62Å; F311-R313 VanDerWaalsContact C-N 3.33Å; F311-R313 PolarHBondContact O-N 3.48Å; F311-V314 WeakPolarHBondContact O-CB 3.43Å; F311-V314 PolarHBondContact O-N 3.4Å; F311-V314 VanDerWaalsContact O-N 3.12Å; F311-L315 HydrophobicContact CD1-CD1 3.9Å; F311-L315 HydrophobicContact CD1-CG 4.32Å; F311-L315 HydrophobicContact CE1-CD1 3.41Å; F311-L315 VanDerWaalsContact CE1-CD1 3.41Å; F311-L315 HydrophobicContact CE1-CG 3.9Å; F311-L315 HydrophobicContact CZ-CD1 4.2Å; F311-L315 HydrophobicContact CZ-CG 4.31Å; F311-L315 PolarHBondContact O-N 3.35Å |
| 312 | K | 60.3 | Low | 52.1 | Low | 123 Ų | 123 | 66.7 Ų | 66.7 | 54% | 0.535 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -58.1 | -42.6 | 175.3 | -168 | -178 | -178.7 | -167.6 | 0 | 112.5 | G308 V314 L315 E316 | G308-K312 PolarHBondContact O-N 2.88Å; K312-V314 VanDerWaalsContact C-N 3.33Å; K312-V314 PolarHBondContact O-N 2.64Å; K312-L315 PolarHBondContact O-N 2.87Å; K312-E316 WeakPolarHBondContact CE-OE1 3.32Å; K312-E316 IonicContact NZ-OE1 3.44Å; K312-E316 WeakPolarHBondContact O-CB 3.47Å; K312-E316 WeakPolarHBondContact O-CG 3.47Å; K312-E316 PolarHBondContact O-N 2.93Å |
| 313 | R | 55.6 | Low | 53 | Low | 145 Ų | 145 | 68.2 Ų | 68.2 | 55% | 0.547 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.6 | -35.3 | 176.1 | -74.2 | -176.8 | -155.8 | 167.7 | 8.4 | 113 | I302 T309 G310 F311 S317 | I302-R313 HydrophobicContact CD1-CB 4.39Å; T309-R313 WeakPolarHBondContact O-CG 3.38Å; T309-R313 PolarHBondContact O-N 3.44Å; T309-R313 VanDerWaalsContact O-N 3.11Å; G310-R313 PolarHBondContact O-N 2.88Å; F311-R313 VanDerWaalsContact C-N 3.33Å; F311-R313 PolarHBondContact O-N 3.48Å; R313-S317 WeakPolarHBondContact O-CB 3.45Å; R313-S317 PolarHBondContact O-N 3.09Å; R313-S317 PolarHBondContact O-OG 3.09Å |
| 314 | V | 53.7 | Low | 53.8 | Low | 15 Ų | 15 | 67 Ų | 67 | 9% | 0.091 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.6 | -48.7 | 174.2 | 173.4 | 0 | 0 | 0 | 0 | 110.2 | L272 L299 I302 G310 F311 K312 S317 L318 | L272-V314 HydrophobicContact CD2-CG1 4.02Å; L299-V314 HydrophobicContact CD2-CB 4.4Å; L299-V314 HydrophobicContact CD2-CG1 3.76Å; L299-V314 HydrophobicContact CD2-CG2 3.89Å; I302-V314 HydrophobicContact CD1-CB 4.47Å; I302-V314 HydrophobicContact CD1-CG2 3.46Å; I302-V314 VanDerWaalsContact CD1-CG2 3.46Å; I302-V314 HydrophobicContact CG2-CG2 4.34Å; G310-V314 WeakPolarHBondContact O-CG2 3.39Å; G310-V314 PolarHBondContact O-N 3.32Å; F311-V314 WeakPolarHBondContact O-CB 3.43Å; F311-V314 PolarHBondContact O-N 3.4Å; F311-V314 VanDerWaalsContact O-N 3.12Å; K312-V314 VanDerWaalsContact C-N 3.33Å; K312-V314 PolarHBondContact O-N 2.64Å; V314-S317 PolarHBondContact O-N 2.96Å; V314-L318 HydrophobicContact CG1-CD1 3.9Å; V314-L318 HydrophobicContact CG1-CG 4.48Å; V314-L318 WeakPolarHBondContact O-CG 3.45Å; V314-L318 PolarHBondContact O-N 3.4Å |
| 315 | L | 58.5 | Low | 54.5 | Low | 25 Ų | 25 | 62.8 Ų | 62.8 | 13% | 0.131 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.5 | -46.2 | 177.1 | -75.2 | 178.8 | 0 | 0 | 0 | 112 | L253 L256 E260 F311 K312 S317 L318 Q319 | L253-L315 HydrophobicContact CD2-CD2 4.15Å; L256-L315 HydrophobicContact CB-CD2 3.94Å; L256-L315 HydrophobicContact CD1-CD2 4.25Å; E260-L315 WeakPolarHBondContact OE2-CD1 3.47Å; F311-L315 HydrophobicContact CD1-CD1 3.9Å; F311-L315 HydrophobicContact CD1-CG 4.32Å; F311-L315 HydrophobicContact CE1-CD1 3.41Å; F311-L315 VanDerWaalsContact CE1-CD1 3.41Å; F311-L315 HydrophobicContact CE1-CG 3.9Å; F311-L315 HydrophobicContact CZ-CD1 4.2Å; F311-L315 HydrophobicContact CZ-CG 4.31Å; F311-L315 PolarHBondContact O-N 3.35Å; K312-L315 PolarHBondContact O-N 2.87Å; L315-S317 VanDerWaalsContact C-N 3.29Å; L315-S317 PolarHBondContact O-N 3.06Å; L315-L318 PolarHBondContact O-N 3.21Å; L315-Q319 WeakPolarHBondContact O-CB 3.43Å; L315-Q319 PolarHBondContact O-N 3.48Å |
| 316 | E | 60.7 | Low | 55.6 | Low | 105 Ų | 105 | 61.8 Ų | 61.8 | 49% | 0.491 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.3 | -39.4 | 177.1 | -73.9 | 171.1 | 175.5 | 0 | 0 | 111.7 | K312 A320 | K312-E316 WeakPolarHBondContact CE-OE1 3.32Å; K312-E316 IonicContact NZ-OE1 3.44Å; K312-E316 WeakPolarHBondContact O-CB 3.47Å; K312-E316 WeakPolarHBondContact O-CG 3.47Å; K312-E316 PolarHBondContact O-N 2.93Å; E316-A320 WeakPolarHBondContact O-CB 3.42Å; E316-A320 PolarHBondContact O-N 2.85Å |
| 317 | S | 54.2 | Low | 56.5 | Low | 34 Ų | 34 | 55.8 Ų | 55.8 | 24% | 0.238 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -69.4 | -42.6 | 178.1 | -57.8 | 0 | 0 | 0 | 0 | 112.2 | R313 V314 L315 A320 C321 | R313-S317 WeakPolarHBondContact O-CB 3.45Å; R313-S317 PolarHBondContact O-N 3.09Å; R313-S317 PolarHBondContact O-OG 3.09Å; V314-S317 PolarHBondContact O-N 2.96Å; L315-S317 VanDerWaalsContact C-N 3.29Å; L315-S317 PolarHBondContact O-N 3.06Å; S317-A320 PolarHBondContact O-N 3.48Å; S317-C321 PolarHBondContact O-N 2.83Å; S317-C321 VanDerWaalsContact O-N 3.11Å; S317-C321 PolarHBondContact O-SG 3.44Å; S317-C321 VanDerWaalsContact O-SG 3.38Å |
| 318 | L | 54.1 | Low | 57 | Low | 7 Ų | 7 | 54.9 Ų | 54.9 | 4% | 0.037 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.7 | -42.8 | 176.2 | -74.8 | 168.5 | 0 | 0 | 0 | 111.4 | L249 L253 L256 L295 V314 L315 A320 C321 Q322 | L249-L318 HydrophobicContact CD1-CD2 4.12Å; L253-L318 HydrophobicContact CD2-CB 3.71Å; L253-L318 HydrophobicContact CD2-CD1 4.29Å; L253-L318 HydrophobicContact CG-CB 4.45Å; L256-L318 HydrophobicContact CD1-CD1 3.45Å; L256-L318 VanDerWaalsContact CD1-CD1 3.45Å; L295-L318 HydrophobicContact CD1-CD2 4.3Å; L295-L318 HydrophobicContact CD2-CD2 3.65Å; L295-L318 HydrophobicContact CD2-CG 4.36Å; V314-L318 HydrophobicContact CG1-CD1 3.9Å; V314-L318 HydrophobicContact CG1-CG 4.48Å; V314-L318 WeakPolarHBondContact O-CG 3.45Å; V314-L318 PolarHBondContact O-N 3.4Å; L315-L318 PolarHBondContact O-N 3.21Å; L318-A320 PolarHBondContact O-N 3.24Å; L318-C321 PolarHBondContact O-N 2.85Å; L318-Q322 PolarHBondContact O-N 3.47Å |
| 319 | Q | 62.2 | Low | 57.5 | Low | 54 Ų | 54 | 55.5 Ų | 55.5 | 25% | 0.252 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.8 | -44.6 | 175.8 | -169.5 | 64.9 | 55.7 | 0 | 0 | 111.1 | R257 L315 C321 Q322 D323 | R257-Q319 VanDerWaalsContact NH2-OE1 3.14Å; L315-Q319 WeakPolarHBondContact O-CB 3.43Å; L315-Q319 PolarHBondContact O-N 3.48Å; Q319-C321 VanDerWaalsContact C-N 3.29Å; Q319-C321 PolarHBondContact O-N 3.39Å; Q319-Q322 VanDerWaalsContact O-CB 3.27Å; Q319-Q322 WeakPolarHBondContact O-CB 3.35Å; Q319-Q322 PolarHBondContact O-N 3.11Å; Q319-Q322 VanDerWaalsContact O-N 3.09Å; Q319-D323 PolarHBondContact NE2-OD1 3.04Å; Q319-D323 VanDerWaalsContact NE2-OD1 3.12Å; Q319-D323 PolarHBondContact O-N 2.92Å |
| 320 | A | 59.8 | Low | 58.1 | Low | 52 Ų | 52 | 58.4 Ų | 58.4 | 43% | 0.43 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.9 | -39.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E316 S317 L318 D323 V324 | E316-A320 WeakPolarHBondContact O-CB 3.42Å; E316-A320 PolarHBondContact O-N 2.85Å; S317-A320 PolarHBondContact O-N 3.48Å; L318-A320 PolarHBondContact O-N 3.24Å; A320-D323 PolarHBondContact O-N 3.27Å; A320-V324 WeakPolarHBondContact O-CG2 3.31Å; A320-V324 PolarHBondContact O-N 2.77Å; A320-V324 VanDerWaalsContact O-N 3.11Å |
| 321 | C | 54.3 | Low | 58.9 | Low | 20 Ų | 20 | 63.7 Ų | 63.7 | 14% | 0.135 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.8 | -38.7 | 174.5 | -69 | 0 | 0 | 0 | 0 | 112.4 | L291 L295 S317 L318 Q319 V324 L325 | L291-C321 HydrophobicContact CD2-CB 4.1Å; L295-C321 HydrophobicContact CD1-CB 3.71Å; L295-C321 WeakPolarHBondContact CD1-SG 3.5Å; S317-C321 PolarHBondContact O-N 2.83Å; S317-C321 VanDerWaalsContact O-N 3.11Å; S317-C321 PolarHBondContact O-SG 3.44Å; S317-C321 VanDerWaalsContact O-SG 3.38Å; L318-C321 PolarHBondContact O-N 2.85Å; Q319-C321 VanDerWaalsContact C-N 3.29Å; Q319-C321 PolarHBondContact O-N 3.39Å; C321-V324 PolarHBondContact O-N 3.46Å; C321-L325 WeakPolarHBondContact O-CG 3.27Å; C321-L325 PolarHBondContact O-N 3.02Å |
| 322 | Q | 58.1 | Low | 59.3 | Low | 17 Ų | 17 | 62.9 Ų | 62.9 | 8% | 0.079 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.2 | -49.7 | 173.1 | -164.1 | 177.3 | 12.3 | 0 | 0 | 111.4 | L249 D250 L318 Q319 V324 L325 L326 | L249-Q322 VanDerWaalsContact CD2-CA 3.49Å; L249-Q322 HydrophobicContact CD2-CB 3.35Å; L249-Q322 HydrophobicContact CD2-CG 3.78Å; D250-Q322 PolarHBondContact OD1-NE2 3.41Å; L318-Q322 PolarHBondContact O-N 3.47Å; Q319-Q322 VanDerWaalsContact O-CB 3.27Å; Q319-Q322 WeakPolarHBondContact O-CB 3.35Å; Q319-Q322 PolarHBondContact O-N 3.11Å; Q319-Q322 VanDerWaalsContact O-N 3.09Å; Q322-V324 VanDerWaalsContact C-N 3.29Å; Q322-V324 PolarHBondContact O-N 3.02Å; Q322-L325 WeakPolarHBondContact O-CB 3.22Å; Q322-L325 PolarHBondContact O-N 3.38Å; Q322-L325 VanDerWaalsContact O-N 3.09Å; Q322-L326 HydrophobicContact CG-CD1 4.11Å; Q322-L326 HydrophobicContact CG-CG 4.47Å; Q322-L326 WeakPolarHBondContact O-CG 3.44Å; Q322-L326 PolarHBondContact O-N 2.84Å |
| 323 | D | 61.4 | Low | 59.5 | Low | 77 Ų | 77 | 59 Ų | 59 | 41% | 0.412 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.1 | -39.5 | -176.5 | -62.4 | -13.6 | 0 | 0 | 0 | 110.8 | Q319 A320 L326 V327 | Q319-D323 PolarHBondContact NE2-OD1 3.04Å; Q319-D323 VanDerWaalsContact NE2-OD1 3.12Å; Q319-D323 PolarHBondContact O-N 2.92Å; A320-D323 PolarHBondContact O-N 3.27Å; D323-L326 PolarHBondContact O-N 3.15Å; D323-V327 VanDerWaalsContact O-CG2 3.3Å; D323-V327 WeakPolarHBondContact O-CG2 3.3Å; D323-V327 PolarHBondContact O-N 3.01Å |
| 324 | V | 58.7 | Low | 60 | Low | 68 Ų | 68 | 54.9 Ų | 54.9 | 41% | 0.412 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.5 | -44.1 | 174.2 | 172.1 | 0 | 0 | 0 | 0 | 111.4 | L291 A320 C321 Q322 V327 Q328 | L291-V324 HydrophobicContact CD1-CG1 4.26Å; A320-V324 WeakPolarHBondContact O-CG2 3.31Å; A320-V324 PolarHBondContact O-N 2.77Å; A320-V324 VanDerWaalsContact O-N 3.11Å; C321-V324 PolarHBondContact O-N 3.46Å; Q322-V324 VanDerWaalsContact C-N 3.29Å; Q322-V324 PolarHBondContact O-N 3.02Å; V324-V327 PolarHBondContact O-N 3.39Å; V324-Q328 WeakPolarHBondContact O-CG 3.3Å; V324-Q328 PolarHBondContact O-N 3.32Å |
| 325 | L | 56.2 | Low | 60.4 | Low | 13 Ų | 13 | 57.3 Ų | 57.3 | 7% | 0.068 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.1 | -42.9 | 178.4 | -72.8 | 170.5 | 0 | 0 | 0 | 111.9 | L242 L245 C321 Q322 V327 Q328 R329 | L242-L325 HydrophobicContact CD2-CD2 3.87Å; L245-L325 HydrophobicContact CD2-CD1 3.61Å; L245-L325 HydrophobicContact CD2-CD2 3.82Å; L245-L325 HydrophobicContact CD2-CG 4.39Å; L245-L325 HydrophobicContact CG-CD1 4.02Å; C321-L325 WeakPolarHBondContact O-CG 3.27Å; C321-L325 PolarHBondContact O-N 3.02Å; Q322-L325 WeakPolarHBondContact O-CB 3.22Å; Q322-L325 PolarHBondContact O-N 3.38Å; Q322-L325 VanDerWaalsContact O-N 3.09Å; L325-V327 PolarHBondContact O-N 3.04Å; L325-Q328 PolarHBondContact O-N 2.91Å; L325-R329 WeakPolarHBondContact O-CB 3.43Å; L325-R329 PolarHBondContact O-N 3Å |
| 326 | L | 62 | Low | 60.7 | Low | 54 Ų | 54 | 60.1 Ų | 60.1 | 28% | 0.283 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -57.3 | -48.1 | 174.8 | -77.1 | 169.2 | 0 | 0 | 0 | 111.3 | E246 Q322 D323 Q328 R329 E330 | E246-L326 WeakPolarHBondContact OE1-CD2 3.21Å; Q322-L326 HydrophobicContact CG-CD1 4.11Å; Q322-L326 HydrophobicContact CG-CG 4.47Å; Q322-L326 WeakPolarHBondContact O-CG 3.44Å; Q322-L326 PolarHBondContact O-N 2.84Å; D323-L326 PolarHBondContact O-N 3.15Å; L326-Q328 VanDerWaalsContact C-N 3.33Å; L326-Q328 PolarHBondContact O-N 3.1Å; L326-R329 WeakPolarHBondContact O-CB 3.31Å; L326-R329 PolarHBondContact O-N 3.14Å; L326-E330 WeakPolarHBondContact O-CG 3.39Å; L326-E330 PolarHBondContact O-N 3.44Å |
| 327 | V | 63.7 | Low | 61 | Low | 67 Ų | 67 | 59.2 Ų | 59.2 | 41% | 0.406 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.9 | -40.2 | 177.6 | 170 | 0 | 0 | 0 | 0 | 111.8 | D323 V324 L325 K331 | D323-V327 VanDerWaalsContact O-CG2 3.3Å; D323-V327 WeakPolarHBondContact O-CG2 3.3Å; D323-V327 PolarHBondContact O-N 3.01Å; V324-V327 PolarHBondContact O-N 3.39Å; L325-V327 PolarHBondContact O-N 3.04Å; V327-K331 HydrophobicContact CG1-CD 4.33Å; V327-K331 VanDerWaalsContact O-CG 3.31Å; V327-K331 WeakPolarHBondContact O-CG 3.28Å; V327-K331 PolarHBondContact O-N 3.18Å; V327-K331 VanDerWaalsContact O-N 3.08Å |
| 328 | Q | 58.3 | Low | 61.6 | Low | 89 Ų | 89 | 60.4 Ų | 60.4 | 42% | 0.416 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -67.4 | -40.6 | 176.6 | -66.7 | -63.1 | -8.3 | 0 | 0 | 111.5 | V324 L325 L326 K331 L332 | V324-Q328 WeakPolarHBondContact O-CG 3.3Å; V324-Q328 PolarHBondContact O-N 3.32Å; L325-Q328 PolarHBondContact O-N 2.91Å; L326-Q328 VanDerWaalsContact C-N 3.33Å; L326-Q328 PolarHBondContact O-N 3.1Å; Q328-K331 PolarHBondContact O-N 3.45Å; Q328-L332 VanDerWaalsContact O-CG 3.29Å; Q328-L332 WeakPolarHBondContact O-CG 3.4Å; Q328-L332 PolarHBondContact O-N 3.49Å |
| 329 | R | 61 | Low | 61.8 | Low | 68 Ų | 68 | 61.9 Ų | 61.9 | 26% | 0.257 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.4 | -46.4 | 174.9 | -178.6 | 176.3 | 177.3 | -95.8 | -1.8 | 111.7 | E243 E246 L325 L326 K331 L332 L333 | E243-R329 IonicContact OE1-CZ 2.71Å; E243-R329 IonicContact OE1-NE 3.84Å; E243-R329 PolarHBondContact OE1-NE 3.16Å; E243-R329 IonicContact OE1-NH2 2.67Å; E243-R329 PolarHBondContact OE1-NH2 3.18Å; E246-R329 WeakPolarHBondContact OE2-CD 3.5Å; E246-R329 IonicContact OE2-NE 3.91Å; L325-R329 WeakPolarHBondContact O-CB 3.43Å; L325-R329 PolarHBondContact O-N 3Å; L326-R329 WeakPolarHBondContact O-CB 3.31Å; L326-R329 PolarHBondContact O-N 3.14Å; R329-K331 VanDerWaalsContact C-N 3.33Å; R329-K331 PolarHBondContact O-N 2.94Å; R329-L332 PolarHBondContact O-N 3.05Å; R329-L332 VanDerWaalsContact O-N 3.15Å; R329-L333 HydrophobicContact CG-CD1 4.08Å; R329-L333 HydrophobicContact CG-CG 4.35Å; R329-L333 WeakPolarHBondContact O-CB 3.28Å; R329-L333 WeakPolarHBondContact O-CG 3.48Å; R329-L333 PolarHBondContact O-N 2.96Å |
| 330 | E | 67.1 | Low | 62 | Low | 129 Ų | 129 | 63.1 Ų | 63.1 | 60% | 0.603 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -60.9 | -41.8 | 177.3 | -74.6 | -176.4 | 165.1 | 0 | 0 | 112.1 | L326 L332 L333 A334 | L326-E330 WeakPolarHBondContact O-CG 3.39Å; L326-E330 PolarHBondContact O-N 3.44Å; E330-L332 VanDerWaalsContact C-N 3.33Å; E330-L332 PolarHBondContact O-N 3.12Å; E330-L333 PolarHBondContact O-N 3.4Å; E330-A334 WeakPolarHBondContact O-CB 3.4Å; E330-A334 PolarHBondContact O-N 3.45Å |
| 331 | K | 66.4 | Low | 62.3 | Low | 119 Ų | 119 | 67.9 Ų | 67.9 | 52% | 0.517 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.5 | -43.7 | 173.5 | -74.5 | 172.9 | -177.5 | 175.9 | 0 | 111.6 | V327 Q328 R329 A334 V335 | V327-K331 HydrophobicContact CG1-CD 4.33Å; V327-K331 VanDerWaalsContact O-CG 3.31Å; V327-K331 WeakPolarHBondContact O-CG 3.28Å; V327-K331 PolarHBondContact O-N 3.18Å; V327-K331 VanDerWaalsContact O-N 3.08Å; Q328-K331 PolarHBondContact O-N 3.45Å; R329-K331 VanDerWaalsContact C-N 3.33Å; R329-K331 PolarHBondContact O-N 2.94Å; K331-A334 PolarHBondContact O-N 3.31Å; K331-V335 WeakPolarHBondContact O-CG2 3.42Å; K331-V335 PolarHBondContact O-N 3.11Å; K331-V335 VanDerWaalsContact O-N 3.1Å |
| 332 | L | 58.7 | Low | 62.6 | Low | 40 Ų | 40 | 70.9 Ų | 70.9 | 21% | 0.209 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -67.9 | -41.8 | 179.1 | -69.9 | 169.6 | 0 | 0 | 0 | 111.7 | F235 V239 L242 Q328 R329 E330 A334 V335 K336 | F235-L332 HydrophobicContact CE1-CB 3.88Å; F235-L332 HydrophobicContact CE1-CD2 4.15Å; F235-L332 WeakPolarHBondContact CE1-O 3.46Å; F235-L332 HydrophobicContact CE2-CD2 3.48Å; F235-L332 VanDerWaalsContact CE2-CD2 3.48Å; F235-L332 HydrophobicContact CZ-CB 3.64Å; F235-L332 HydrophobicContact CZ-CD2 3.25Å; F235-L332 HydrophobicContact CZ-CG 4.03Å; F235-L332 WeakPolarHBondContact CZ-O 3.41Å; V239-L332 HydrophobicContact CG2-CB 4.29Å; V239-L332 HydrophobicContact CG2-CD1 4.47Å; L242-L332 HydrophobicContact CD1-CD1 3.33Å; Q328-L332 VanDerWaalsContact O-CG 3.29Å; Q328-L332 WeakPolarHBondContact O-CG 3.4Å; Q328-L332 PolarHBondContact O-N 3.49Å; R329-L332 PolarHBondContact O-N 3.05Å; R329-L332 VanDerWaalsContact O-N 3.15Å; E330-L332 VanDerWaalsContact C-N 3.33Å; E330-L332 PolarHBondContact O-N 3.12Å; L332-A334 PolarHBondContact O-N 2.94Å; L332-V335 PolarHBondContact O-N 3.33Å; L332-K336 PolarHBondContact O-N 3.27Å |
| 333 | L | 64.4 | Low | 62.5 | Low | 41 Ų | 41 | 73.3 Ų | 73.3 | 22% | 0.215 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.9 | -42 | 174.5 | -73.6 | 175.2 | 0 | 0 | 0 | 111.8 | R329 E330 V335 K336 D337 | R329-L333 HydrophobicContact CG-CD1 4.08Å; R329-L333 HydrophobicContact CG-CG 4.35Å; R329-L333 WeakPolarHBondContact O-CB 3.28Å; R329-L333 WeakPolarHBondContact O-CG 3.48Å; R329-L333 PolarHBondContact O-N 2.96Å; E330-L333 PolarHBondContact O-N 3.4Å; L333-V335 VanDerWaalsContact C-N 3.3Å; L333-V335 PolarHBondContact O-N 3.33Å; L333-K336 HydrophobicContact CD2-CD 4.37Å; L333-K336 WeakPolarHBondContact O-CB 3.44Å; L333-K336 PolarHBondContact O-N 3.4Å; L333-D337 WeakPolarHBondContact O-CB 3.37Å; L333-D337 PolarHBondContact O-N 3.33Å |
| 334 | A | 66.9 | Low | 62.3 | Low | 59 Ų | 59 | 75.7 Ų | 75.7 | 49% | 0.488 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.1 | -39.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E330 K331 L332 S338 | E330-A334 WeakPolarHBondContact O-CB 3.4Å; E330-A334 PolarHBondContact O-N 3.45Å; K331-A334 PolarHBondContact O-N 3.31Å; L332-A334 PolarHBondContact O-N 2.94Å; A334-S338 WeakPolarHBondContact O-CB 3.32Å; A334-S338 PolarHBondContact O-N 3.23Å |
| 335 | V | 61.7 | Low | 62.4 | Low | 66 Ų | 66 | 79.4 Ų | 79.4 | 40% | 0.4 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.5 | -47.9 | 173.1 | 171.3 | 0 | 0 | 0 | 0 | 110.5 | F235 K331 L332 L333 D337 S338 L339 | F235-V335 HydrophobicContact CE2-CB 4.46Å; F235-V335 HydrophobicContact CE2-CG1 3.97Å; F235-V335 HydrophobicContact CZ-CB 3.96Å; F235-V335 HydrophobicContact CZ-CG1 3.91Å; K331-V335 WeakPolarHBondContact O-CG2 3.42Å; K331-V335 PolarHBondContact O-N 3.11Å; K331-V335 VanDerWaalsContact O-N 3.1Å; L332-V335 PolarHBondContact O-N 3.33Å; L333-V335 VanDerWaalsContact C-N 3.3Å; L333-V335 PolarHBondContact O-N 3.33Å; V335-D337 PolarHBondContact O-N 3.1Å; V335-S338 WeakPolarHBondContact O-CB 3.48Å; V335-S338 PolarHBondContact O-N 3.49Å; V335-L339 HydrophobicContact CG1-CD1 3.83Å; V335-L339 HydrophobicContact CG1-CG 4.45Å; V335-L339 VanDerWaalsContact O-CG 3.25Å; V335-L339 WeakPolarHBondContact O-CG 3.25Å; V335-L339 PolarHBondContact O-N 3.27Å |
| 336 | K | 65.5 | Low | 62.1 | Low | 84 Ų | 84 | 83.6 Ų | 83.6 | 37% | 0.365 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -56.3 | -48.9 | 176.2 | -178.5 | -167.6 | 171.5 | -170.7 | 0 | 111.9 | F235 L332 L333 S338 L339 M340 | F235-K336 HydrophobicContact CD1-CB 4.43Å; F235-K336 HydrophobicContact CE1-CB 4.03Å; L332-K336 PolarHBondContact O-N 3.27Å; L333-K336 HydrophobicContact CD2-CD 4.37Å; L333-K336 WeakPolarHBondContact O-CB 3.44Å; L333-K336 PolarHBondContact O-N 3.4Å; K336-S338 VanDerWaalsContact C-N 3.31Å; K336-S338 PolarHBondContact O-N 2.99Å; K336-L339 WeakPolarHBondContact O-CB 3.39Å; K336-L339 PolarHBondContact O-N 2.89Å; K336-L339 VanDerWaalsContact O-N 3.11Å; K336-M340 HydrophobicContact CG-CG 4.38Å; K336-M340 WeakPolarHBondContact O-CG 3.49Å; K336-M340 PolarHBondContact O-N 3.38Å |
| 337 | D | 66.8 | Low | 61.4 | Low | 86 Ų | 86 | 86.8 Ų | 86.8 | 46% | 0.46 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -69.5 | -30 | -178.3 | -69.3 | -14.7 | 0 | 0 | 0 | 112.3 | L333 V335 R341 | L333-D337 WeakPolarHBondContact O-CB 3.37Å; L333-D337 PolarHBondContact O-N 3.33Å; V335-D337 PolarHBondContact O-N 3.1Å; D337-R341 WeakPolarHBondContact O-CG 3.41Å; D337-R341 PolarHBondContact O-N 3.4Å; D337-R341 PolarHBondContact O-NE 2.92Å; D337-R341 VanDerWaalsContact O-NE 3.08Å |
| 338 | S | 67.1 | Low | 60.4 | Low | 58 Ų | 58 | 88.8 Ų | 88.8 | 41% | 0.406 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -66.4 | -41 | 169.7 | -167.6 | 0 | 0 | 0 | 0 | 111.2 | A334 V335 K336 E342 | A334-S338 WeakPolarHBondContact O-CB 3.32Å; A334-S338 PolarHBondContact O-N 3.23Å; V335-S338 WeakPolarHBondContact O-CB 3.48Å; V335-S338 PolarHBondContact O-N 3.49Å; K336-S338 VanDerWaalsContact C-N 3.31Å; K336-S338 PolarHBondContact O-N 2.99Å; S338-E342 PolarHBondContact O-N 3.33Å |
| 339 | L | 58.3 | Low | 59.5 | Low | 38 Ų | 38 | 93.9 Ų | 93.9 | 20% | 0.199 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -67.3 | -49.5 | 178.6 | -71.5 | 169 | 0 | 0 | 0 | 111.4 | Y228 F231 V335 K336 R341 E342 E343 | Y228-L339 HydrophobicContact CE2-CD2 3.72Å; Y228-L339 VanDerWaalsContact OH-CA 3.23Å; Y228-L339 WeakPolarHBondContact OH-CA 3.37Å; Y228-L339 WeakPolarHBondContact OH-CB 3.4Å; Y228-L339 WeakPolarHBondContact OH-CD2 3.33Å; Y228-L339 PolarHBondContact OH-O 3.17Å; F231-L339 HydrophobicContact CD1-CD1 4.35Å; F231-L339 HydrophobicContact CE1-CD1 3.85Å; V335-L339 HydrophobicContact CG1-CD1 3.83Å; V335-L339 HydrophobicContact CG1-CG 4.45Å; V335-L339 VanDerWaalsContact O-CG 3.25Å; V335-L339 WeakPolarHBondContact O-CG 3.25Å; V335-L339 PolarHBondContact O-N 3.27Å; K336-L339 WeakPolarHBondContact O-CB 3.39Å; K336-L339 PolarHBondContact O-N 2.89Å; K336-L339 VanDerWaalsContact O-N 3.11Å; L339-R341 VanDerWaalsContact C-N 3.26Å; L339-R341 PolarHBondContact O-N 2.67Å; L339-E342 WeakPolarHBondContact O-CA 3.33Å; L339-E342 WeakPolarHBondContact O-CB 3.35Å; L339-E342 PolarHBondContact O-N 3.02Å; L339-E343 PolarHBondContact O-N 3.26Å |
| 340 | M | 65.4 | Low | 58.1 | Low | 81 Ų | 81 | 95.5 Ų | 95.5 | 40% | 0.399 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -56.8 | -37.3 | 177.2 | -67.2 | -63 | -58.4 | 0 | 0 | 112.7 | K336 E343 E344 | K336-M340 HydrophobicContact CG-CG 4.38Å; K336-M340 WeakPolarHBondContact O-CG 3.49Å; K336-M340 PolarHBondContact O-N 3.38Å; M340-E343 WeakPolarHBondContact O-CB 3.2Å; M340-E343 PolarHBondContact O-N 2.92Å; M340-E344 PolarHBondContact O-N 3.46Å |
| 341 | R | 65.5 | Low | 56.5 | Low | 151 Ų | 151 | 94.7 Ų | 94.7 | 57% | 0.57 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -67.7 | -34.5 | 175.5 | -79 | -177.1 | -72.1 | 164.7 | -4.7 | 113.2 | D337 L339 K345 | D337-R341 WeakPolarHBondContact O-CG 3.41Å; D337-R341 PolarHBondContact O-N 3.4Å; D337-R341 PolarHBondContact O-NE 2.92Å; D337-R341 VanDerWaalsContact O-NE 3.08Å; L339-R341 VanDerWaalsContact C-N 3.26Å; L339-R341 PolarHBondContact O-N 2.67Å; R341-K345 WeakPolarHBondContact O-CG 3.41Å; R341-K345 PolarHBondContact O-N 3.37Å |
| 342 | E | 60.8 | Low | 55 | Low | 83 Ų | 83 | 96.3 Ų | 96.3 | 39% | 0.388 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -71.2 | -36.1 | 172.7 | -69.6 | -61.7 | 133.7 | 0 | 0 | 111 | S338 L339 E344 K345 L346 | S338-E342 PolarHBondContact O-N 3.33Å; L339-E342 WeakPolarHBondContact O-CA 3.33Å; L339-E342 WeakPolarHBondContact O-CB 3.35Å; L339-E342 PolarHBondContact O-N 3.02Å; E342-E344 PolarHBondContact O-N 3.12Å; E342-K345 PolarHBondContact O-N 3.29Å; E342-K345 IonicContact OE1-NZ 3.39Å; E342-K345 PolarHBondContact OE1-NZ 3.29Å; E342-L346 WeakPolarHBondContact O-CG 3.42Å; E342-L346 PolarHBondContact O-N 2.76Å |
| 343 | E | 57.2 | Low | 53.9 | Low | 68 Ų | 68 | 102.7 Ų | 102.7 | 32% | 0.318 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.8 | -43 | 172.5 | -167.1 | -165.4 | 171 | 0 | 0 | 111.9 | L339 M340 K345 L346 K347 | L339-E343 PolarHBondContact O-N 3.26Å; M340-E343 WeakPolarHBondContact O-CB 3.2Å; M340-E343 PolarHBondContact O-N 2.92Å; E343-K345 VanDerWaalsContact C-N 3.32Å; E343-K345 PolarHBondContact O-N 3.17Å; E343-L346 PolarHBondContact O-N 3.11Å; E343-L346 VanDerWaalsContact O-N 3.1Å; E343-K347 PolarHBondContact O-N 3.18Å; E343-K347 VanDerWaalsContact O-N 3.13Å |
| 344 | E | 56.6 | Low | 52.4 | Low | 127 Ų | 127 | 110.8 Ų | 110.8 | 59% | 0.593 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63.4 | -35.1 | 176.7 | -77.7 | -174 | 158.4 | 0 | 0 | 113.1 | M340 E342 L346 K347 | M340-E344 PolarHBondContact O-N 3.46Å; E342-E344 PolarHBondContact O-N 3.12Å; E344-L346 VanDerWaalsContact C-N 3.25Å; E344-L346 PolarHBondContact O-N 2.97Å; E344-K347 PolarHBondContact O-N 3.27Å |
| 345 | K | 60.1 | Low | 51.1 | Low | 147 Ų | 147 | 114.9 Ų | 114.9 | 64% | 0.639 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -69.4 | -24.5 | 174 | -68.3 | 172.3 | -170.5 | 171.9 | 0 | 113.1 | R341 E342 E343 | R341-K345 WeakPolarHBondContact O-CG 3.41Å; R341-K345 PolarHBondContact O-N 3.37Å; E342-K345 PolarHBondContact O-N 3.29Å; E342-K345 IonicContact OE1-NZ 3.39Å; E342-K345 PolarHBondContact OE1-NZ 3.29Å; E343-K345 VanDerWaalsContact C-N 3.32Å; E343-K345 PolarHBondContact O-N 3.17Å |
| 346 | L | 49.6 | Very low | 49.9 | Very low | 100 Ų | 100 | 116.6 Ų | 116.6 | 52% | 0.524 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -87.3 | -12.7 | 178.2 | -70.2 | 166.9 | 0 | 0 | 0 | 112.7 | L205 E342 E343 E344 | L205-L346 HydrophobicContact CD1-CD2 4.44Å; E342-L346 WeakPolarHBondContact O-CG 3.42Å; E342-L346 PolarHBondContact O-N 2.76Å; E343-L346 PolarHBondContact O-N 3.11Å; E343-L346 VanDerWaalsContact O-N 3.1Å; E344-L346 VanDerWaalsContact C-N 3.25Å; E344-L346 PolarHBondContact O-N 2.97Å |
| 347 | K | 47.3 | Very low | 48.4 | Very low | 121 Ų | 121 | 117.9 Ų | 117.9 | 53% | 0.526 | 61% | 0.61 | S | S | . | * | S | Bend | trans | -66.6 | 128.3 | 171.6 | -76.4 | 176.9 | -176.9 | 165.8 | 0 | 109.1 | E343 E344 E349 | E343-K347 PolarHBondContact O-N 3.18Å; E343-K347 VanDerWaalsContact O-N 3.13Å; E344-K347 PolarHBondContact O-N 3.27Å; K347-E349 PolarHBondContact O-N 2.7Å |
| 348 | P | 43.1 | Very low | 47 | Very low | 110 Ų | 110 | 122.2 Ų | 122.2 | 71% | 0.714 | 63% | 0.628 | S | S | * | * | trans | -62.9 | 126.1 | 174.6 | 24.5 | -29.7 | 0 | 0 | 0 | 108.5 | C350 | P348-C350 PolarHBondContact O-N 2.96Š| ||
| 349 | E | 40.1 | Very low | 45.4 | Very low | 196 Ų | 196 | 123.6 Ų | 123.6 | 92% | 0.916 | 64% | 0.643 | S | S | * | * | trans | -62.2 | 79.1 | 160.4 | -74.9 | -177.9 | 157.1 | 0 | 0 | 108.1 | K347 | K347-E349 PolarHBondContact O-N 2.7Š| ||
| 350 | C | 32 | Very low | 44.1 | Very low | 102 Ų | 102 | 127.2 Ų | 127.2 | 69% | 0.689 | 67% | 0.671 | S | S | * | * | trans | -107.7 | 61.1 | 168 | -113.5 | 0 | 0 | 0 | 0 | 107.7 | P348 L352 | P348-C350 PolarHBondContact O-N 2.96Å; C350-L352 PolarHBondContact O-N 3.49Å | ||
| 351 | S | 32.2 | Very low | 42.7 | Very low | 111 Ų | 111 | 128.7 Ų | 128.7 | 78% | 0.776 | 69% | 0.687 | S | S | * | * | trans | -88.5 | 71.1 | 154 | 48.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 352 | L | 35.6 | Very low | 41.1 | Very low | 154 Ų | 154 | 125.6 Ų | 125.6 | 81% | 0.806 | 69% | 0.693 | S | S | * | * | trans | -91.8 | 118.9 | 155.2 | -83.6 | 164.8 | 0 | 0 | 0 | 106.8 | C350 | C350-L352 PolarHBondContact O-N 3.49Š| ||
| 353 | E | 35.5 | Very low | 39.9 | Very low | 173 Ų | 173 | 129.1 Ų | 129.1 | 81% | 0.808 | 72% | 0.715 | S | S | * | * | trans | -32 | 126.3 | -177.4 | -68.2 | 162.9 | 155.5 | 0 | 0 | 114.4 | D355 | E353-D355 PolarHBondContact O-N 2.95Š| ||
| 354 | K | 33.9 | Very low | 38.9 | Very low | 211 Ų | 211 | 132.2 Ų | 132.2 | 92% | 0.917 | 73% | 0.733 | S | S | * | * | trans | -64.2 | 98.3 | 156.8 | -78.2 | 178.3 | 175.3 | 175.6 | 0 | 107.7 | ||||
| 355 | D | 39.3 | Very low | 37.6 | Very low | 145 Ų | 145 | 134 Ų | 134 | 78% | 0.775 | 75% | 0.746 | S | S | * | * | trans | -123.9 | 124.4 | 148.3 | -91.2 | -32.5 | 0 | 0 | 0 | 109.3 | E353 | E353-D355 PolarHBondContact O-N 2.95Š| ||
| 356 | S | 35.8 | Very low | 36.4 | Very low | 102 Ų | 102 | 132 Ų | 132 | 71% | 0.713 | 75% | 0.75 | S | S | * | * | trans | -33.4 | 151.2 | 172.5 | 53 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 357 | V | 33.6 | Very low | 35.8 | Very low | 111 Ų | 111 | 135.9 Ų | 135.9 | 67% | 0.673 | 77% | 0.765 | S | S | * | * | -176.6 | 136.4 | 70 | 167.9 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 358 | E | 37.1 | Very low | 35.4 | Very low | 178 Ų | 178 | 135.2 Ų | 135.2 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | trans | 68.7 | 102.5 | 151.5 | -69.5 | 163.2 | -178 | 0 | 0 | 124.4 | ||||
| 359 | A | 33.5 | Very low | 35 | Very low | 87 Ų | 87 | 136.3 Ų | 136.3 | 72% | 0.719 | 78% | 0.78 | S | S | * | * | 32.5 | 105.2 | 118.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 360 | S | 31.6 | Very low | 34.8 | Very low | 113 Ų | 113 | 132.7 Ų | 132.7 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | 82.7 | 159.4 | 94.3 | -78.9 | 0 | 0 | 0 | 0 | 116 | |||||
| 361 | P | 36.9 | Very low | 34.9 | Very low | 113 Ų | 113 | 138 Ų | 138 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | cis | -139.1 | 179.6 | -34.2 | 36.9 | -18.1 | 0 | 0 | 0 | 113.5 | ||||
| 362 | A | 30.8 | Very low | 35.4 | Very low | 85 Ų | 85 | 139.8 Ų | 139.8 | 70% | 0.702 | 79% | 0.785 | S | S | * | * | trans | 62.3 | 106 | 150.5 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 363 | N | 37.1 | Very low | 35.5 | Very low | 157 Ų | 157 | 144 Ų | 144 | 84% | 0.84 | 81% | 0.808 | S | S | * | * | trans | -143.1 | 95.2 | 137.8 | -103.9 | -22 | 0 | 0 | 0 | 106.2 | ||||
| 364 | L | 34.9 | Very low | 35.5 | Very low | 134 Ų | 134 | 142.5 Ų | 142.5 | 70% | 0.702 | 81% | 0.808 | S | S | * | * | 58.9 | 94.2 | 87.1 | -71.8 | 169.8 | 0 | 0 | 0 | 112.8 | |||||
| 365 | L | 29.1 | Very low | 35.6 | Very low | 165 Ų | 165 | 138.9 Ų | 138.9 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | 22.4 | 107 | 128.6 | -69.7 | 162.8 | 0 | 0 | 0 | 115.3 | |||||
| 366 | S | 34.8 | Very low | 35.3 | Very low | 104 Ų | 104 | 138.6 Ų | 138.6 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | -173.9 | 148.7 | 131.8 | 39.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 367 | Q | 37.3 | Very low | 35.3 | Very low | 182 Ų | 182 | 140.7 Ų | 140.7 | 85% | 0.85 | 81% | 0.808 | S | S | * | * | trans | 82.6 | 125.4 | 169 | -49.8 | -179.2 | 7.8 | 0 | 0 | 115.3 | ||||
| 368 | S | 39.8 | Very low | 35.4 | Very low | 106 Ų | 106 | 142.6 Ų | 142.6 | 74% | 0.741 | 82% | 0.817 | S | S | * | * | cis | -177.4 | 136.9 | -12.6 | 31.7 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 369 | V | 33.6 | Very low | 35.3 | Very low | 134 Ų | 134 | 140.2 Ų | 140.2 | 81% | 0.812 | 82% | 0.816 | S | S | * | * | trans | -12.5 | 131.7 | 159.4 | -175.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 370 | S | 37.5 | Very low | 35.4 | Very low | 119 Ų | 119 | 144 Ų | 144 | 83% | 0.832 | 82% | 0.823 | S | S | * | * | trans | -154.8 | 93.4 | 142.5 | 166.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 371 | Y | 32.5 | Very low | 35.7 | Very low | 213 Ų | 213 | 146.4 Ų | 146.4 | 84% | 0.835 | 83% | 0.825 | S | S | * | * | trans | -81.3 | 128.6 | 157.5 | -92 | -89.1 | 0 | 0 | 0 | 108.6 | ||||
| 372 | N | 42.3 | Very low | 35.6 | Very low | 150 Ų | 150 | 149.2 Ų | 149.2 | 80% | 0.802 | 83% | 0.833 | S | S | * | * | trans | 172.2 | 95.1 | 136.5 | -90.1 | -11.8 | 0 | 0 | 0 | 111.1 | ||||
| 373 | N | 38.1 | Very low | 36.1 | Very low | 241 Ų | 241 | 155 Ų | 155 | 100% | 1.289 | 85% | 0.845 | S | S | * | * | -178.9 | 0 | 118.3 | -98.6 | -10.1 | 0 | 0 | 0 | 110.1 |
Retrieved 373 of 373 residues in 836.4 ms
(Link to these results)