| 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 | 72.8 | Confident | 89.3 | Confident | 146 Ų | 146 | 68.8 Ų | 68.8 | 72% | 0.719 | 31% | 0.314 | S | S | * | . | 0 | -56.6 | 0 | -92.4 | -60.6 | 179.4 | 0 | 0 | 114.7 | E3 R5 | M1-E3 PolarHBondContact O-N 3.16Å; M1-R5 PolarHBondContact O-N 3.1Å; M1-R5 VanDerWaalsContact O-N 3.11Å | |||
| 2 | S | 79.6 | Confident | 89.8 | Confident | 68 Ų | 68 | 75.8 Ų | 75.8 | 48% | 0.476 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -57.2 | -47.8 | 178.8 | 52.6 | 0 | 0 | 0 | 0 | 112.5 | R5 K6 | S2-R5 CarbonylContact O-C 3.55Å; S2-R5 WeakPolarHBondContact O-CA 3.44Å; S2-R5 WeakPolarHBondContact O-CB 3.34Å; S2-R5 PolarHBondContact O-N 3.08Å; S2-R5 VanDerWaalsContact O-N 3.14Å; S2-K6 PolarHBondContact O-N 2.86Å |
| 3 | E | 87.4 | Confident | 90.2 | Very high | 88 Ų | 88 | 79 Ų | 79 | 41% | 0.411 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -71.1 | -38.7 | -176.7 | -53.8 | -35.7 | 107.3 | 0 | 0 | 112 | M1 R5 K6 I7 | M1-E3 PolarHBondContact O-N 3.16Å; E3-R5 VanDerWaalsContact C-N 3.26Å; E3-R5 PolarHBondContact O-N 3.01Å; E3-K6 CarbonylContact O-C 3.54Å; E3-K6 VanDerWaalsContact O-CA 3.31Å; E3-K6 WeakPolarHBondContact O-CA 3.39Å; E3-K6 VanDerWaalsContact O-CB 3.25Å; E3-K6 WeakPolarHBondContact O-CB 3.36Å; E3-K6 PolarHBondContact O-N 3.43Å; E3-I7 VanDerWaalsContact O-CG1 3.31Å; E3-I7 WeakPolarHBondContact O-CG1 2.92Å; E3-I7 PolarHBondContact O-N 3.3Å |
| 4 | V | 89.3 | Confident | 90.6 | Very high | 16 Ų | 16 | 73.4 Ų | 73.4 | 10% | 0.097 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -53.1 | -44.8 | 168.4 | 171.8 | 0 | 0 | 0 | 0 | 111 | K6 I7 I8 L121 | V4-K6 VanDerWaalsContact C-N 3.28Å; V4-K6 PolarHBondContact O-N 3.49Å; V4-I7 PolarHBondContact O-N 3.26Å; V4-I8 HydrophobicContact CG1-CD1 3.62Å; V4-I8 HydrophobicContact CG1-CG1 4.41Å; V4-I8 WeakPolarHBondContact O-CB 3.43Å; V4-I8 VanDerWaalsContact O-CG1 3.25Å; V4-I8 WeakPolarHBondContact O-CG1 3.3Å; V4-I8 PolarHBondContact O-N 3.39Å; V4-L121 HydrophobicContact CG1-CB 4.46Å; V4-L121 WeakPolarHBondContact CG1-O 3.43Å; V4-L121 WeakPolarHBondContact CG2-O 3.27Å |
| 5 | R | 90.2 | Very high | 90.8 | Very high | 150 Ų | 150 | 70.3 Ų | 70.3 | 57% | 0.566 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -72 | -13.7 | 174 | -67.2 | -170.8 | -66.6 | -105.6 | 8.2 | 114.1 | M1 S2 E3 R9 | M1-R5 PolarHBondContact O-N 3.1Å; M1-R5 VanDerWaalsContact O-N 3.11Å; S2-R5 CarbonylContact O-C 3.55Å; S2-R5 WeakPolarHBondContact O-CA 3.44Å; S2-R5 WeakPolarHBondContact O-CB 3.34Å; S2-R5 PolarHBondContact O-N 3.08Å; S2-R5 VanDerWaalsContact O-N 3.14Å; E3-R5 VanDerWaalsContact C-N 3.26Å; E3-R5 PolarHBondContact O-N 3.01Å; R5-R9 WeakPolarHBondContact O-CG 3.45Å; R5-R9 PolarHBondContact O-NE 2.82Å |
| 6 | K | 92.9 | Very high | 91 | Very high | 67 Ų | 67 | 70.9 Ų | 70.9 | 29% | 0.291 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -78.9 | -55.7 | 166.8 | 175.7 | 174.5 | 162.5 | -101.2 | 0 | 109.9 | S2 E3 V4 I8 R9 H10 E47 | S2-K6 PolarHBondContact O-N 2.86Å; E3-K6 CarbonylContact O-C 3.54Å; E3-K6 VanDerWaalsContact O-CA 3.31Å; E3-K6 WeakPolarHBondContact O-CA 3.39Å; E3-K6 VanDerWaalsContact O-CB 3.25Å; E3-K6 WeakPolarHBondContact O-CB 3.36Å; E3-K6 PolarHBondContact O-N 3.43Å; V4-K6 VanDerWaalsContact C-N 3.28Å; V4-K6 PolarHBondContact O-N 3.49Å; K6-I8 PolarHBondContact O-N 3.45Å; K6-R9 VanDerWaalsContact CA-NH2 3.34Å; K6-R9 WeakPolarHBondContact O-CA 3.38Å; K6-R9 VanDerWaalsContact O-CB 3.32Å; K6-R9 WeakPolarHBondContact O-CB 3.39Å; K6-R9 PolarHBondContact O-N 3.38Å; K6-H10 PolarHBondContact O-CD2 3Å; K6-H10 PolarHBondContact O-N 3.21Å; K6-E47 WeakPolarHBondContact CE-OE2 3.49Å; K6-E47 IonicContact NZ-OE1 2.7Å; K6-E47 PolarHBondContact NZ-OE1 3.26Å; K6-E47 IonicContact NZ-OE2 3.15Å; K6-E47 PolarHBondContact NZ-OE2 3.39Å |
| 7 | I | 94 | Very high | 91.2 | Very high | 4 Ų | 4 | 67.8 Ų | 67.8 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.2 | -45.7 | -178.4 | -53.7 | 157 | 0 | 0 | 0 | 110.9 | E3 V4 R9 H10 C11 E47 V48 R51 L121 | E3-I7 VanDerWaalsContact O-CG1 3.31Å; E3-I7 WeakPolarHBondContact O-CG1 2.92Å; E3-I7 PolarHBondContact O-N 3.3Å; V4-I7 PolarHBondContact O-N 3.26Å; I7-R9 PolarHBondContact O-N 3.09Å; I7-R9 VanDerWaalsContact O-N 3.15Å; I7-H10 WeakPolarHBondContact O-CA 3.46Å; I7-H10 WeakPolarHBondContact O-CB 3.44Å; I7-H10 PolarHBondContact O-N 3.06Å; I7-C11 PolarHBondContact O-N 2.7Å; I7-C11 PolarHBondContact O-SG 3.14Å; I7-C11 VanDerWaalsContact O-SG 3.39Å; I7-E47 HydrophobicContact CG1-CB 4.23Å; I7-E47 HydrophobicContact CG2-CB 4.23Å; I7-V48 HydrophobicContact CG2-CB 4.5Å; I7-V48 HydrophobicContact CG2-CG2 3.53Å; I7-R51 HydrophobicContact CD1-CB 3.56Å; I7-R51 HydrophobicContact CD1-CG 3.62Å; I7-L121 HydrophobicContact CB-CD1 4.13Å; I7-L121 HydrophobicContact CB-CD2 4.43Å; I7-L121 HydrophobicContact CD1-CD2 4.04Å; I7-L121 HydrophobicContact CG2-CD1 3.49Å; I7-L121 VanDerWaalsContact CG2-CD1 3.49Å; I7-L121 HydrophobicContact CG2-CD2 3.97Å; I7-L121 HydrophobicContact CG2-CG 4.41Å |
| 8 | I | 92.5 | Very high | 91.3 | Very high | 12 Ų | 12 | 64.3 Ų | 64.3 | 6% | 0.062 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.3 | -27 | 176.5 | -68.5 | 170.6 | 0 | 0 | 0 | 112.6 | V4 K6 C11 R12 I118 L121 Q122 | V4-I8 HydrophobicContact CG1-CD1 3.62Å; V4-I8 HydrophobicContact CG1-CG1 4.41Å; V4-I8 WeakPolarHBondContact O-CB 3.43Å; V4-I8 VanDerWaalsContact O-CG1 3.25Å; V4-I8 WeakPolarHBondContact O-CG1 3.3Å; V4-I8 PolarHBondContact O-N 3.39Å; K6-I8 PolarHBondContact O-N 3.45Å; I8-C11 PolarHBondContact O-N 2.83Å; I8-R12 HydrophobicContact CG2-CG 4.31Å; I8-R12 WeakPolarHBondContact O-CB 3.35Å; I8-R12 VanDerWaalsContact O-CG 3.29Å; I8-R12 WeakPolarHBondContact O-CG 3.4Å; I8-R12 PolarHBondContact O-N 2.67Å; I8-I118 HydrophobicContact CD1-CG2 4.49Å; I8-I118 HydrophobicContact CG1-CG2 4.47Å; I8-L121 HydrophobicContact CG1-CB 4.39Å; I8-L121 HydrophobicContact CG1-CD1 4.08Å; I8-Q122 HydrophobicContact CD1-CG 3.68Å |
| 9 | R | 94.3 | Very high | 91.3 | Very high | 166 Ų | 166 | 64.6 Ų | 64.6 | 63% | 0.626 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -70.9 | -33.5 | 171.4 | -75.3 | 176.8 | -74.6 | 147.2 | -4.8 | 112.1 | R5 K6 I7 R13 | R5-R9 WeakPolarHBondContact O-CG 3.45Å; R5-R9 PolarHBondContact O-NE 2.82Å; K6-R9 VanDerWaalsContact CA-NH2 3.34Å; K6-R9 WeakPolarHBondContact O-CA 3.38Å; K6-R9 VanDerWaalsContact O-CB 3.32Å; K6-R9 WeakPolarHBondContact O-CB 3.39Å; K6-R9 PolarHBondContact O-N 3.38Å; I7-R9 PolarHBondContact O-N 3.09Å; I7-R9 VanDerWaalsContact O-N 3.15Å; R9-R13 VanDerWaalsContact O-CB 3.31Å; R9-R13 WeakPolarHBondContact O-CB 3.49Å; R9-R13 PolarHBondContact O-N 3.4Å |
| 10 | H | 94.8 | Very high | 91.4 | Very high | 40 Ų | 40 | 63.9 Ų | 63.9 | 19% | 0.185 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.8 | -45.6 | 170.6 | -68.3 | -97.7 | 0 | 0 | 0 | 110.7 | K6 I7 R12 R13 V14 M44 | K6-H10 PolarHBondContact O-CD2 3Å; K6-H10 PolarHBondContact O-N 3.21Å; I7-H10 WeakPolarHBondContact O-CA 3.46Å; I7-H10 WeakPolarHBondContact O-CB 3.44Å; I7-H10 PolarHBondContact O-N 3.06Å; H10-R12 PolarHBondContact O-N 2.63Å; H10-R13 WeakPolarHBondContact O-CB 3.3Å; H10-R13 PolarHBondContact O-N 3.25Å; H10-R13 VanDerWaalsContact O-N 3.14Å; H10-V14 PolarHBondContact O-N 2.67Å; H10-M44 HydrophobicContact CB-CB 4.16Å; H10-M44 HydrophobicContact CB-CG 4.47Å |
| 11 | C | 94.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.7 | -48.4 | 175.3 | -54.6 | 0 | 0 | 0 | 0 | 112.5 | I7 I8 R13 V14 L15 M44 I114 I118 | I7-C11 PolarHBondContact O-N 2.7Å; I7-C11 PolarHBondContact O-SG 3.14Å; I7-C11 VanDerWaalsContact O-SG 3.39Å; I8-C11 PolarHBondContact O-N 2.83Å; C11-R13 VanDerWaalsContact C-N 3.3Å; C11-R13 PolarHBondContact O-N 3.23Å; C11-V14 PolarHBondContact O-N 3.04Å; C11-V14 VanDerWaalsContact O-N 3.16Å; C11-L15 PolarHBondContact O-N 3.47Å; C11-M44 HydrophobicContact CB-CG 4.49Å; C11-M44 HydrophobicContact CB-SD 4.15Å; C11-I114 HydrophobicContact CB-CG2 3.87Å; C11-I118 HydrophobicContact CB-CD1 3.73Å; C11-I118 HydrophobicContact CB-CG1 3.63Å |
| 12 | R | 94.8 | Very high | 92 | Very high | 153 Ų | 153 | 60.4 Ų | 60.4 | 58% | 0.577 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -65.1 | -30.3 | 176.7 | -71 | 175.1 | -176.1 | 174.7 | 3.6 | 113 | I8 H10 S16 I118 | I8-R12 HydrophobicContact CG2-CG 4.31Å; I8-R12 WeakPolarHBondContact O-CB 3.35Å; I8-R12 VanDerWaalsContact O-CG 3.29Å; I8-R12 WeakPolarHBondContact O-CG 3.4Å; I8-R12 PolarHBondContact O-N 2.67Å; H10-R12 PolarHBondContact O-N 2.63Å; R12-S16 VanDerWaalsContact O-CB 3.27Å; R12-S16 WeakPolarHBondContact O-CB 3.49Å; R12-S16 PolarHBondContact O-N 2.81Å; R12-I118 HydrophobicContact CG-CD1 4.46Å |
| 13 | R | 95.1 | Very high | 92.4 | Very high | 117 Ų | 117 | 64.1 Ų | 64.1 | 44% | 0.442 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.5 | -40.4 | 172.1 | -177.8 | -179.1 | 174.9 | -144.3 | -3.3 | 111.5 | R9 H10 C11 S16 V17 C40 D43 | R9-R13 VanDerWaalsContact O-CB 3.31Å; R9-R13 WeakPolarHBondContact O-CB 3.49Å; R9-R13 PolarHBondContact O-N 3.4Å; H10-R13 WeakPolarHBondContact O-CB 3.3Å; H10-R13 PolarHBondContact O-N 3.25Å; H10-R13 VanDerWaalsContact O-N 3.14Å; C11-R13 VanDerWaalsContact C-N 3.3Å; C11-R13 PolarHBondContact O-N 3.23Å; R13-S16 PolarHBondContact O-N 2.74Å; R13-V17 WeakPolarHBondContact O-CG2 3.42Å; R13-V17 PolarHBondContact O-N 3.35Å; R13-V17 VanDerWaalsContact O-N 3.09Å; R13-C40 HydrophobicContact CG-CB 4.42Å; R13-C40 PolarHBondContact NE-SG 3.23Å; R13-C40 PolarHBondContact NH2-SG 2.73Å; R13-C40 VanDerWaalsContact NH2-SG 3.36Å; R13-D43 IonicContact CZ-OD2 2.92Å; R13-D43 IonicContact NH1-OD2 3.88Å; R13-D43 PolarHBondContact NH1-OD2 3.08Å |
| 14 | V | 95.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.7 | -48.9 | 174.5 | -180 | 0 | 0 | 0 | 0 | 110.8 | H10 C11 S16 V17 L18 L37 C40 M41 M44 M110 I114 | H10-V14 PolarHBondContact O-N 2.67Å; C11-V14 PolarHBondContact O-N 3.04Å; C11-V14 VanDerWaalsContact O-N 3.16Å; V14-S16 VanDerWaalsContact C-N 3.28Å; V14-S16 PolarHBondContact O-N 3.29Å; V14-V17 PolarHBondContact O-N 2.88Å; V14-L18 HydrophobicContact CG1-CD1 4.26Å; V14-L18 HydrophobicContact CG1-CG 4.37Å; V14-L18 WeakPolarHBondContact O-CG 3.44Å; V14-L18 PolarHBondContact O-N 2.94Å; V14-L37 HydrophobicContact CG1-CD1 4.01Å; V14-C40 HydrophobicContact CG2-CB 4.08Å; V14-C40 WeakPolarHBondContact CG2-O 3.47Å; V14-M41 HydrophobicContact CG2-CB 4.38Å; V14-M44 HydrophobicContact CB-SD 4.05Å; V14-M44 HydrophobicContact CG2-CB 3.91Å; V14-M44 HydrophobicContact CG2-CG 4.39Å; V14-M44 HydrophobicContact CG2-SD 3.77Å; V14-M110 HydrophobicContact CG1-CE 4.46Å; V14-I114 HydrophobicContact CB-CD1 4.28Å; V14-I114 HydrophobicContact CG1-CD1 3.59Å |
| 15 | L | 93.6 | Very high | 92.5 | Very high | 27 Ų | 27 | 63.6 Ų | 63.6 | 14% | 0.141 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -55.1 | -42.4 | 174.5 | -71.2 | 169.1 | 0 | 0 | 0 | 112.2 | C11 V17 L18 A19 I114 I118 | C11-L15 PolarHBondContact O-N 3.47Å; L15-V17 VanDerWaalsContact C-N 3.31Å; L15-V17 PolarHBondContact O-N 2.74Å; L15-L18 PolarHBondContact O-N 3.05Å; L15-A19 PolarHBondContact O-N 3.34Å; L15-I114 HydrophobicContact CD1-CG2 3.94Å; L15-I114 HydrophobicContact CD2-CB 4.06Å; L15-I114 HydrophobicContact CD2-CD1 4.36Å; L15-I114 HydrophobicContact CD2-CG2 4.09Å; L15-I114 HydrophobicContact CG-CB 4.29Å; L15-I114 HydrophobicContact CG-CG2 3.75Å; L15-I118 HydrophobicContact CD1-CD1 3.9Å |
| 16 | S | 94 | Very high | 92.5 | Very high | 80 Ų | 80 | 58.3 Ų | 58.3 | 56% | 0.559 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -64.1 | -32.6 | 176.3 | -174.8 | 0 | 0 | 0 | 0 | 113.2 | R12 R13 V14 | R12-S16 VanDerWaalsContact O-CB 3.27Å; R12-S16 WeakPolarHBondContact O-CB 3.49Å; R12-S16 PolarHBondContact O-N 2.81Å; R13-S16 PolarHBondContact O-N 2.74Å; V14-S16 VanDerWaalsContact C-N 3.28Å; V14-S16 PolarHBondContact O-N 3.29Å |
| 17 | V | 94.2 | Very high | 92.3 | Very high | 18 Ų | 18 | 60.1 Ų | 60.1 | 11% | 0.109 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -72.9 | -44.4 | 172 | 174.2 | 0 | 0 | 0 | 0 | 110.8 | R13 V14 L15 A19 T20 F33 R36 L37 | R13-V17 WeakPolarHBondContact O-CG2 3.42Å; R13-V17 PolarHBondContact O-N 3.35Å; R13-V17 VanDerWaalsContact O-N 3.09Å; V14-V17 PolarHBondContact O-N 2.88Å; L15-V17 VanDerWaalsContact C-N 3.31Å; L15-V17 PolarHBondContact O-N 2.74Å; V17-A19 VanDerWaalsContact C-N 3.29Å; V17-A19 PolarHBondContact O-N 3.15Å; V17-T20 WeakPolarHBondContact O-CB 3.38Å; V17-T20 PolarHBondContact O-N 3.2Å; V17-T20 PolarHBondContact O-OG1 3.37Å; V17-F33 HydrophobicContact CG1-CD2 4.44Å; V17-F33 HydrophobicContact CG1-CE2 4.16Å; V17-F33 WeakPolarHBondContact O-CE2 3.22Å; V17-R36 HydrophobicContact CG1-CB 4.28Å; V17-L37 HydrophobicContact CG1-CB 4Å; V17-L37 HydrophobicContact CG1-CD1 4.1Å |
| 18 | L | 93.8 | Very high | 92.2 | Very high | 5 Ų | 5 | 64.8 Ų | 64.8 | 3% | 0.026 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.1 | -39.1 | 178.1 | -68.3 | 176.7 | 0 | 0 | 0 | 112.2 | V14 L15 T20 A21 F33 L37 L78 L107 M110 I114 | V14-L18 HydrophobicContact CG1-CD1 4.26Å; V14-L18 HydrophobicContact CG1-CG 4.37Å; V14-L18 WeakPolarHBondContact O-CG 3.44Å; V14-L18 PolarHBondContact O-N 2.94Å; L15-L18 PolarHBondContact O-N 3.05Å; L18-T20 PolarHBondContact O-N 3.27Å; L18-T20 VanDerWaalsContact O-N 3.1Å; L18-A21 WeakPolarHBondContact O-CB 3.35Å; L18-A21 PolarHBondContact O-N 2.88Å; L18-F33 HydrophobicContact CD2-CZ 4.39Å; L18-L37 HydrophobicContact CD2-CD1 3.86Å; L18-L37 HydrophobicContact CD2-CD2 4.11Å; L18-L37 HydrophobicContact CG-CD1 4.32Å; L18-L78 HydrophobicContact CD2-CD2 3.89Å; L18-L107 HydrophobicContact CD2-CD2 4.27Å; L18-M110 HydrophobicContact CD1-CE 4.12Å; L18-M110 HydrophobicContact CD1-CG 4Å; L18-M110 HydrophobicContact CD1-SD 4Å; L18-M110 HydrophobicContact CD2-CE 4Å; L18-M110 HydrophobicContact CD2-SD 3.71Å; L18-I114 HydrophobicContact CD1-CD1 3.8Å |
| 19 | A | 92 | Very high | 92.2 | Very high | 70 Ų | 70 | 65.4 Ų | 65.4 | 58% | 0.579 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -20.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L15 V17 A21 | L15-A19 PolarHBondContact O-N 3.34Å; V17-A19 VanDerWaalsContact C-N 3.29Å; V17-A19 PolarHBondContact O-N 3.15Å; A19-A21 VanDerWaalsContact C-N 3.32Å |
| 20 | T | 92.5 | Very high | 92.1 | Very high | 50 Ų | 50 | 57.9 Ų | 57.9 | 31% | 0.307 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -8.1 | 173.7 | 72 | 0 | 0 | 0 | 0 | 113.9 | V17 L18 E22 H23 | V17-T20 WeakPolarHBondContact O-CB 3.38Å; V17-T20 PolarHBondContact O-N 3.2Å; V17-T20 PolarHBondContact O-OG1 3.37Å; L18-T20 PolarHBondContact O-N 3.27Å; L18-T20 VanDerWaalsContact O-N 3.1Å; T20-E22 PolarHBondContact O-N 3.21Å; T20-H23 PolarHBondContact O-N 2.91Å |
| 21 | A | 90.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -65 | -33.5 | -175 | 0 | 0 | 0 | 0 | 0 | 113.8 | L18 A19 H23 V24 F33 L82 L107 | L18-A21 WeakPolarHBondContact O-CB 3.35Å; L18-A21 PolarHBondContact O-N 2.88Å; A19-A21 VanDerWaalsContact C-N 3.32Å; A21-H23 PolarHBondContact O-N 2.96Å; A21-V24 WeakPolarHBondContact O-CB 3.46Å; A21-V24 WeakPolarHBondContact O-CG2 3.17Å; A21-V24 PolarHBondContact O-N 3.11Å; A21-V24 VanDerWaalsContact O-N 3.08Å; A21-F33 HydrophobicContact CB-CE2 3.65Å; A21-F33 HydrophobicContact CB-CZ 3.76Å; A21-L82 HydrophobicContact CB-CD2 4.25Å; A21-L107 HydrophobicContact CB-CD1 3.73Å; A21-L107 HydrophobicContact CB-CD2 3.51Å; A21-L107 HydrophobicContact CB-CG 4.27Å |
| 22 | E | 86.9 | Confident | 92 | Very high | 138 Ų | 138 | 61 Ų | 61 | 65% | 0.645 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -57.5 | -32.1 | 175.8 | -176 | 178.3 | -164.5 | 0 | 0 | 112.3 | T20 V24 | T20-E22 PolarHBondContact O-N 3.21Å; E22-V24 VanDerWaalsContact C-N 3.28Å; E22-V24 PolarHBondContact O-N 2.61Å |
| 23 | H | 88 | Confident | 92 | Very high | 145 Ų | 145 | 53.8 Ų | 53.8 | 67% | 0.671 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -84 | 0.1 | -177.8 | -59.8 | 73.7 | 0 | 0 | 0 | 113.1 | T20 A21 S25 | T20-H23 PolarHBondContact O-N 2.91Å; A21-H23 PolarHBondContact O-N 2.96Å; H23-S25 PolarHBondContact O-N 3.4Å; H23-S25 VanDerWaalsContact O-N 3.07Å |
| 24 | V | 90.1 | Very high | 92 | Very high | 9 Ų | 9 | 50 Ų | 50 | 6% | 0.055 | 30% | 0.303 | C | S | . | . | trans | -82.3 | 87.3 | -177.8 | -179.3 | 0 | 0 | 0 | 0 | 110.1 | A21 E22 L30 F33 V86 | A21-V24 WeakPolarHBondContact O-CB 3.46Å; A21-V24 WeakPolarHBondContact O-CG2 3.17Å; A21-V24 PolarHBondContact O-N 3.11Å; A21-V24 VanDerWaalsContact O-N 3.08Å; E22-V24 VanDerWaalsContact C-N 3.28Å; E22-V24 PolarHBondContact O-N 2.61Å; V24-L30 HydrophobicContact CG1-CB 3.67Å; V24-L30 HydrophobicContact CG1-CD1 4.14Å; V24-L30 HydrophobicContact CG1-CG 4.48Å; V24-F33 HydrophobicContact CG2-CB 3.95Å; V24-F33 HydrophobicContact CG2-CD2 3.94Å; V24-F33 HydrophobicContact CG2-CG 4.03Å; V24-V86 HydrophobicContact CG1-CG2 4.15Å; V24-V86 VanDerWaalsContact O-CG2 3.27Å; V24-V86 WeakPolarHBondContact O-CG2 3.42Å | ||
| 25 | S | 87.6 | Confident | 91.9 | Very high | 85 Ų | 85 | 56.7 Ų | 56.7 | 59% | 0.594 | 33% | 0.332 | S | S | * | . | trans | -99.5 | 3.4 | -177.3 | 59.4 | 0 | 0 | 0 | 0 | 115 | H23 Q90 | H23-S25 PolarHBondContact O-N 3.4Å; H23-S25 VanDerWaalsContact O-N 3.07Å; S25-Q90 VanDerWaalsContact O-CD 3.26Å; S25-Q90 WeakPolarHBondContact O-CG 3.28Å; S25-Q90 PolarHBondContact O-NE2 2.81Å | ||
| 26 | S | 91 | Very high | 92 | Very high | 39 Ų | 39 | 61.1 Ų | 61.1 | 27% | 0.273 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -147.9 | 153.4 | -178.6 | 67.8 | 0 | 0 | 0 | 0 | 113.8 | T28 G29 L30 | S26-T28 VanDerWaalsContact C-N 3.28Å; S26-T28 PolarHBondContact O-N 3.22Å; S26-G29 CarbonylContact O-C 3.59Å; S26-G29 WeakPolarHBondContact O-CA 3.31Å; S26-G29 PolarHBondContact O-N 3.34Å; S26-G29 VanDerWaalsContact O-N 3.08Å; S26-G29 PolarHBondContact OG-N 2.76Å; S26-L30 PolarHBondContact O-N 3.2Å |
| 27 | L | 89.2 | Confident | 92 | Very high | 105 Ų | 105 | 57.3 Ų | 57.3 | 55% | 0.55 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.9 | -34.2 | -179.4 | -171.3 | 64 | 0 | 0 | 0 | 112.8 | L30 A31 K83 V86 | L27-L30 HydrophobicContact CD1-CD2 4.43Å; L27-L30 PolarHBondContact O-N 3.14Å; L27-A31 PolarHBondContact O-N 2.81Å; L27-K83 HydrophobicContact CD1-CG 4.48Å; L27-V86 HydrophobicContact CB-CG1 4.46Å |
| 28 | T | 91.4 | Very high | 91.9 | Very high | 102 Ų | 102 | 59.6 Ų | 59.6 | 63% | 0.626 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -66.3 | -45.8 | 172 | -48.5 | 0 | 0 | 0 | 0 | 111.1 | S26 L30 A31 D32 | S26-T28 VanDerWaalsContact C-N 3.28Å; S26-T28 PolarHBondContact O-N 3.22Å; T28-L30 VanDerWaalsContact C-N 3.25Å; T28-L30 PolarHBondContact O-N 2.93Å; T28-A31 WeakPolarHBondContact O-CB 3.5Å; T28-A31 PolarHBondContact O-N 3.49Å; T28-A31 VanDerWaalsContact O-N 3.17Å; T28-D32 PolarHBondContact O-N 3.42Å |
| 29 | G | 92.1 | Very high | 92 | Very high | 25 Ų | 25 | 62.5 Ų | 62.5 | 26% | 0.258 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.1 | -34.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S26 D32 F33 | S26-G29 CarbonylContact O-C 3.59Å; S26-G29 WeakPolarHBondContact O-CA 3.31Å; S26-G29 PolarHBondContact O-N 3.34Å; S26-G29 VanDerWaalsContact O-N 3.08Å; S26-G29 PolarHBondContact OG-N 2.76Å; G29-D32 PolarHBondContact O-N 2.98Å; G29-F33 WeakPolarHBondContact O-CB 3.41Å; G29-F33 PolarHBondContact O-N 3.35Å |
| 30 | L | 92.7 | Very high | 92 | Very high | 8 Ų | 8 | 59.5 Ų | 59.5 | 4% | 0.042 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -68.6 | -43.5 | 173.9 | 179.7 | 56.9 | 0 | 0 | 0 | 111.8 | V24 S26 L27 T28 D32 F33 V34 L82 K83 | V24-L30 HydrophobicContact CG1-CB 3.67Å; V24-L30 HydrophobicContact CG1-CD1 4.14Å; V24-L30 HydrophobicContact CG1-CG 4.48Å; S26-L30 PolarHBondContact O-N 3.2Å; L27-L30 HydrophobicContact CD1-CD2 4.43Å; L27-L30 PolarHBondContact O-N 3.14Å; T28-L30 VanDerWaalsContact C-N 3.25Å; T28-L30 PolarHBondContact O-N 2.93Å; L30-D32 VanDerWaalsContact C-N 3.27Å; L30-D32 PolarHBondContact O-N 3.08Å; L30-F33 HydrophobicContact CD1-CD1 4.16Å; L30-F33 WeakPolarHBondContact O-CB 3.31Å; L30-F33 PolarHBondContact O-N 3.31Å; L30-V34 HydrophobicContact CD1-CG2 4.17Å; L30-V34 WeakPolarHBondContact O-CG2 3.42Å; L30-V34 PolarHBondContact O-N 3.2Å; L30-L82 HydrophobicContact CD1-CB 3.69Å; L30-L82 HydrophobicContact CD1-CD1 4.05Å; L30-L82 HydrophobicContact CD1-CG 4.43Å; L30-L82 HydrophobicContact CD2-CB 4.25Å; L30-K83 VanDerWaalsContact CD2-CA 3.45Å; L30-K83 HydrophobicContact CD2-CB 3.77Å; L30-K83 HydrophobicContact CD2-CG 4.41Å |
| 31 | A | 93.2 | Very high | 92.1 | Very high | 45 Ų | 45 | 57.5 Ų | 57.5 | 37% | 0.372 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.3 | -40.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L27 T28 K35 | L27-A31 PolarHBondContact O-N 2.81Å; T28-A31 WeakPolarHBondContact O-CB 3.5Å; T28-A31 PolarHBondContact O-N 3.49Å; T28-A31 VanDerWaalsContact O-N 3.17Å; A31-K35 VanDerWaalsContact O-CG 3.24Å; A31-K35 WeakPolarHBondContact O-CG 3.27Å; A31-K35 PolarHBondContact O-N 3.24Å |
| 32 | D | 93.3 | Very high | 92.3 | Very high | 61 Ų | 61 | 60.2 Ų | 60.2 | 33% | 0.326 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -76.1 | -30 | 176.8 | -68.1 | -24.3 | 0 | 0 | 0 | 113.4 | T28 G29 L30 K35 R36 | T28-D32 PolarHBondContact O-N 3.42Å; G29-D32 PolarHBondContact O-N 2.98Å; L30-D32 VanDerWaalsContact C-N 3.27Å; L30-D32 PolarHBondContact O-N 3.08Å; D32-K35 WeakPolarHBondContact OD1-CE 3.37Å; D32-K35 IonicContact OD1-NZ 2.94Å; D32-K35 PolarHBondContact OD1-NZ 3.33Å; D32-R36 WeakPolarHBondContact O-CG 3.34Å; D32-R36 PolarHBondContact O-N 2.87Å |
| 33 | F | 94.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.1 | -48.9 | 168.4 | 172 | -91 | 0 | 0 | 0 | 111.2 | V17 L18 A21 V24 G29 L30 K35 R36 L37 L82 | V17-F33 HydrophobicContact CG1-CD2 4.44Å; V17-F33 HydrophobicContact CG1-CE2 4.16Å; V17-F33 WeakPolarHBondContact O-CE2 3.22Å; L18-F33 HydrophobicContact CD2-CZ 4.39Å; A21-F33 HydrophobicContact CB-CE2 3.65Å; A21-F33 HydrophobicContact CB-CZ 3.76Å; V24-F33 HydrophobicContact CG2-CB 3.95Å; V24-F33 HydrophobicContact CG2-CD2 3.94Å; V24-F33 HydrophobicContact CG2-CG 4.03Å; G29-F33 WeakPolarHBondContact O-CB 3.41Å; G29-F33 PolarHBondContact O-N 3.35Å; L30-F33 HydrophobicContact CD1-CD1 4.16Å; L30-F33 WeakPolarHBondContact O-CB 3.31Å; L30-F33 PolarHBondContact O-N 3.31Å; F33-K35 PolarHBondContact O-N 2.68Å; F33-R36 PolarHBondContact O-N 2.87Å; F33-L37 HydrophobicContact CE1-CB 4.42Å; F33-L37 HydrophobicContact CE1-CD2 3.7Å; F33-L37 HydrophobicContact CZ-CD2 3.98Å; F33-L37 WeakPolarHBondContact O-CB 3.46Å; F33-L37 PolarHBondContact O-N 3.06Å; F33-L82 HydrophobicContact CD1-CD1 4.11Å; F33-L82 HydrophobicContact CE1-CD1 3.56Å; F33-L82 HydrophobicContact CZ-CD1 4.15Å |
| 34 | V | 94.8 | Very high | 93.1 | Very high | 38 Ų | 38 | 49.9 Ų | 49.9 | 23% | 0.23 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.4 | -42.6 | 178.5 | 173.7 | 0 | 0 | 0 | 0 | 111.5 | L30 R36 L37 T38 I79 | L30-V34 HydrophobicContact CD1-CG2 4.17Å; L30-V34 WeakPolarHBondContact O-CG2 3.42Å; L30-V34 PolarHBondContact O-N 3.2Å; V34-R36 PolarHBondContact O-N 3.18Å; V34-L37 PolarHBondContact O-N 3.05Å; V34-T38 PolarHBondContact O-N 3.38Å; V34-T38 PolarHBondContact O-OG1 3.41Å; V34-I79 HydrophobicContact CG1-CD1 4.23Å; V34-I79 HydrophobicContact CG2-CD1 4.15Å; V34-I79 HydrophobicContact CG2-CG1 4.03Å; V34-I79 HydrophobicContact CG2-CG2 4.1Å |
| 35 | K | 94.5 | Very high | 93.4 | Very high | 140 Ų | 140 | 50.7 Ų | 50.7 | 61% | 0.609 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -57.7 | -30.4 | 173.3 | -72.3 | 169.6 | -155.4 | 163.5 | 0 | 113.3 | A31 D32 F33 P39 | A31-K35 VanDerWaalsContact O-CG 3.24Å; A31-K35 WeakPolarHBondContact O-CG 3.27Å; A31-K35 PolarHBondContact O-N 3.24Å; D32-K35 WeakPolarHBondContact OD1-CE 3.37Å; D32-K35 IonicContact OD1-NZ 2.94Å; D32-K35 PolarHBondContact OD1-NZ 3.33Å; F33-K35 PolarHBondContact O-N 2.68Å; K35-P39 WeakPolarHBondContact O-CD 3.5Å; K35-P39 WeakPolarHBondContact O-CG 3.49Å |
| 36 | R | 94.3 | Very high | 93.7 | Very high | 120 Ų | 120 | 53.1 Ų | 53.1 | 45% | 0.453 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -82.2 | -42.4 | 174.4 | -68 | -171 | -53.6 | -99.1 | 8.2 | 112.2 | V17 D32 F33 V34 C40 | V17-R36 HydrophobicContact CG1-CB 4.28Å; D32-R36 WeakPolarHBondContact O-CG 3.34Å; D32-R36 PolarHBondContact O-N 2.87Å; F33-R36 PolarHBondContact O-N 2.87Å; V34-R36 PolarHBondContact O-N 3.18Å; R36-C40 PolarHBondContact O-SG 3.43Å |
| 37 | L | 94.5 | Very high | 93.9 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -68.6 | -53.4 | -173.8 | -179.1 | 61.4 | 0 | 0 | 0 | 112.3 | V14 V17 L18 F33 V34 C40 M41 M110 | V14-L37 HydrophobicContact CG1-CD1 4.01Å; V17-L37 HydrophobicContact CG1-CB 4Å; V17-L37 HydrophobicContact CG1-CD1 4.1Å; L18-L37 HydrophobicContact CD2-CD1 3.86Å; L18-L37 HydrophobicContact CD2-CD2 4.11Å; L18-L37 HydrophobicContact CG-CD1 4.32Å; F33-L37 HydrophobicContact CE1-CB 4.42Å; F33-L37 HydrophobicContact CE1-CD2 3.7Å; F33-L37 HydrophobicContact CZ-CD2 3.98Å; F33-L37 WeakPolarHBondContact O-CB 3.46Å; F33-L37 PolarHBondContact O-N 3.06Å; V34-L37 PolarHBondContact O-N 3.05Å; L37-C40 PolarHBondContact O-N 3.12Å; L37-M41 HydrophobicContact CD2-CE 4.39Å; L37-M41 HydrophobicContact CG-CE 4.03Å; L37-M41 WeakPolarHBondContact O-CB 3.31Å; L37-M41 PolarHBondContact O-N 2.95Å; L37-M110 HydrophobicContact CD1-CE 4.43Å |
| 38 | T | 93.3 | Very high | 94.2 | Very high | 66 Ų | 66 | 48.1 Ų | 48.1 | 41% | 0.405 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.4 | -44.7 | -170.3 | -54.2 | 0 | 0 | 0 | 0 | 113.4 | V34 M41 A42 | V34-T38 PolarHBondContact O-N 3.38Å; V34-T38 PolarHBondContact O-OG1 3.41Å; T38-M41 PolarHBondContact O-N 2.85Å; T38-A42 WeakPolarHBondContact O-CB 3.5Å; T38-A42 PolarHBondContact O-N 3.24Å |
| 39 | P | 94.2 | Very high | 94.3 | Very high | 66 Ų | 66 | 45.6 Ų | 45.6 | 43% | 0.429 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -66.4 | -44.3 | 176.3 | -21.5 | 34.8 | 0 | 0 | 0 | 113.1 | K35 M41 A42 D43 | K35-P39 WeakPolarHBondContact O-CD 3.5Å; K35-P39 WeakPolarHBondContact O-CG 3.49Å; P39-M41 PolarHBondContact O-N 2.93Å; P39-A42 PolarHBondContact O-N 3.25Å; P39-D43 VanDerWaalsContact O-CG 3.25Å; P39-D43 PolarHBondContact O-N 3.38Å |
| 40 | C | 93.6 | Very high | 94.4 | Very high | 7 Ų | 7 | 48.3 Ų | 48.3 | 5% | 0.047 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.1 | -33.9 | 179.5 | -61.6 | 0 | 0 | 0 | 0 | 112 | R13 V14 R36 L37 M44 | R13-C40 HydrophobicContact CG-CB 4.42Å; R13-C40 PolarHBondContact NE-SG 3.23Å; R13-C40 PolarHBondContact NH2-SG 2.73Å; R13-C40 VanDerWaalsContact NH2-SG 3.36Å; V14-C40 HydrophobicContact CG2-CB 4.08Å; V14-C40 WeakPolarHBondContact CG2-O 3.47Å; R36-C40 PolarHBondContact O-SG 3.43Å; L37-C40 PolarHBondContact O-N 3.12Å; C40-M44 WeakPolarHBondContact O-CB 3.39Å; C40-M44 PolarHBondContact O-N 3.07Å; C40-M44 VanDerWaalsContact O-N 3.08Å |
| 41 | M | 93.9 | Very high | 94.3 | Very high | 7 Ų | 7 | 50.9 Ų | 50.9 | 3% | 0.034 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -78.8 | -36.3 | 178.7 | -177.6 | 160.6 | 55.4 | 0 | 0 | 112.8 | V14 L37 T38 P39 M44 I45 V71 T75 M110 | V14-M41 HydrophobicContact CG2-CB 4.38Å; L37-M41 HydrophobicContact CD2-CE 4.39Å; L37-M41 HydrophobicContact CG-CE 4.03Å; L37-M41 WeakPolarHBondContact O-CB 3.31Å; L37-M41 PolarHBondContact O-N 2.95Å; T38-M41 PolarHBondContact O-N 2.85Å; P39-M41 PolarHBondContact O-N 2.93Å; M41-M44 PolarHBondContact O-N 3.02Å; M41-I45 HydrophobicContact CG-CD1 3.93Å; M41-I45 WeakPolarHBondContact O-CB 3.25Å; M41-I45 VanDerWaalsContact O-CG1 3.28Å; M41-I45 WeakPolarHBondContact O-CG1 3.21Å; M41-I45 PolarHBondContact O-N 3.44Å; M41-V71 HydrophobicContact CG-CG1 3.86Å; M41-V71 HydrophobicContact SD-CG1 3.56Å; M41-V71 VanDerWaalsContact SD-CG1 3.56Å; M41-T75 HydrophobicContact CE-CG2 3.47Å; M41-T75 VanDerWaalsContact CE-CG2 3.47Å; M41-T75 WeakPolarHBondContact CE-OG1 3.38Å; M41-T75 PolarHBondContact SD-OG1 3.1Å; M41-M110 HydrophobicContact CE-CE 4.28Å; M41-M110 HydrophobicContact SD-CE 3.25Å; M41-M110 WeakPolarHBondContact SD-CE 3.2Å |
| 42 | A | 95.1 | Very high | 93.9 | Very high | 58 Ų | 58 | 49.7 Ų | 49.7 | 48% | 0.479 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | T38 P39 M44 I45 K46 | T38-A42 WeakPolarHBondContact O-CB 3.5Å; T38-A42 PolarHBondContact O-N 3.24Å; P39-A42 PolarHBondContact O-N 3.25Å; A42-M44 VanDerWaalsContact C-N 3.35Å; A42-M44 PolarHBondContact O-N 3.25Å; A42-I45 PolarHBondContact O-N 3.3Å; A42-K46 WeakPolarHBondContact O-CB 3.5Å; A42-K46 PolarHBondContact O-N 3.05Å; A42-K46 VanDerWaalsContact O-N 3.09Å |
| 43 | D | 94.9 | Very high | 93.6 | Very high | 64 Ų | 64 | 54.1 Ų | 54.1 | 34% | 0.342 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -55.5 | -50.2 | 171.5 | -65.1 | -24 | 0 | 0 | 0 | 110.5 | R13 P39 E47 | R13-D43 IonicContact CZ-OD2 2.92Å; R13-D43 IonicContact NH1-OD2 3.88Å; R13-D43 PolarHBondContact NH1-OD2 3.08Å; P39-D43 VanDerWaalsContact O-CG 3.25Å; P39-D43 PolarHBondContact O-N 3.38Å; D43-E47 WeakPolarHBondContact O-CB 3.42Å; D43-E47 VanDerWaalsContact O-CG 3.23Å; D43-E47 WeakPolarHBondContact O-CG 3.32Å; D43-E47 PolarHBondContact O-N 3.41Å; D43-E47 VanDerWaalsContact O-N 3.09Å |
| 44 | M | 96.4 | Very high | 93 | Very high | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.3 | -49.6 | -179.2 | -176.8 | -168.1 | 76 | 0 | 0 | 112.2 | H10 C11 V14 C40 M41 A42 K46 E47 V48 V71 I114 | H10-M44 HydrophobicContact CB-CB 4.16Å; H10-M44 HydrophobicContact CB-CG 4.47Å; C11-M44 HydrophobicContact CB-CG 4.49Å; C11-M44 HydrophobicContact CB-SD 4.15Å; V14-M44 HydrophobicContact CB-SD 4.05Å; V14-M44 HydrophobicContact CG2-CB 3.91Å; V14-M44 HydrophobicContact CG2-CG 4.39Å; V14-M44 HydrophobicContact CG2-SD 3.77Å; C40-M44 WeakPolarHBondContact O-CB 3.39Å; C40-M44 PolarHBondContact O-N 3.07Å; C40-M44 VanDerWaalsContact O-N 3.08Å; M41-M44 PolarHBondContact O-N 3.02Å; A42-M44 VanDerWaalsContact C-N 3.35Å; A42-M44 PolarHBondContact O-N 3.25Å; M44-K46 VanDerWaalsContact C-N 3.35Å; M44-K46 PolarHBondContact O-N 3.27Å; M44-E47 PolarHBondContact O-N 2.98Å; M44-V48 HydrophobicContact CG-CG2 4.37Å; M44-V48 VanDerWaalsContact O-CG2 3.25Å; M44-V48 WeakPolarHBondContact O-CG2 3.38Å; M44-V48 PolarHBondContact O-N 3.2Å; M44-V71 HydrophobicContact CE-CG1 3.9Å; M44-V71 HydrophobicContact CE-CG2 4.31Å; M44-I114 HydrophobicContact CE-CD1 4.42Å; M44-I114 HydrophobicContact CE-CG1 4.13Å; M44-I114 HydrophobicContact SD-CD1 4.49Å; M44-I114 HydrophobicContact SD-CG1 4.28Å; M44-I114 HydrophobicContact SD-CG2 4.1Å |
| 45 | I | 95.8 | Very high | 92.2 | Very high | 26 Ų | 26 | 59.2 Ų | 59.2 | 13% | 0.133 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -55.9 | -51.8 | 180 | -76.4 | 165.2 | 0 | 0 | 0 | 109.5 | M41 A42 E47 V48 D49 I68 V71 K72 | M41-I45 HydrophobicContact CG-CD1 3.93Å; M41-I45 WeakPolarHBondContact O-CB 3.25Å; M41-I45 VanDerWaalsContact O-CG1 3.28Å; M41-I45 WeakPolarHBondContact O-CG1 3.21Å; M41-I45 PolarHBondContact O-N 3.44Å; A42-I45 PolarHBondContact O-N 3.3Å; I45-E47 PolarHBondContact O-N 3.11Å; I45-V48 PolarHBondContact O-N 3.18Å; I45-D49 WeakPolarHBondContact O-CB 3.47Å; I45-D49 PolarHBondContact O-N 2.88Å; I45-I68 HydrophobicContact CG2-CG2 3.95Å; I45-V71 HydrophobicContact CD1-CG1 4.29Å; I45-K72 HydrophobicContact CD1-CG 3.9Å |
| 46 | K | 95.8 | Very high | 91.1 | Very high | 137 Ų | 137 | 57.5 Ų | 57.5 | 60% | 0.596 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -60.1 | -42.9 | -179.2 | -176.7 | 179.4 | 179.4 | 178.9 | 0 | 113 | A42 M44 V48 D49 N50 | A42-K46 WeakPolarHBondContact O-CB 3.5Å; A42-K46 PolarHBondContact O-N 3.05Å; A42-K46 VanDerWaalsContact O-N 3.09Å; M44-K46 VanDerWaalsContact C-N 3.35Å; M44-K46 PolarHBondContact O-N 3.27Å; K46-V48 VanDerWaalsContact C-N 3.33Å; K46-V48 PolarHBondContact O-N 2.98Å; K46-D49 PolarHBondContact O-N 3.27Å; K46-N50 WeakPolarHBondContact O-CB 3.26Å; K46-N50 VanDerWaalsContact O-CG 3.28Å; K46-N50 PolarHBondContact O-N 3.17Å; K46-N50 PolarHBondContact O-OD1 2.95Å |
| 47 | E | 94.9 | Very high | 89.8 | Confident | 38 Ų | 38 | 53 Ų | 53 | 18% | 0.178 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69.4 | -28.7 | -179.5 | -74.3 | -86.1 | 147.2 | 0 | 0 | 112.9 | K6 I7 D43 M44 I45 R51 | K6-E47 WeakPolarHBondContact CE-OE2 3.49Å; K6-E47 IonicContact NZ-OE1 2.7Å; K6-E47 PolarHBondContact NZ-OE1 3.26Å; K6-E47 IonicContact NZ-OE2 3.15Å; K6-E47 PolarHBondContact NZ-OE2 3.39Å; I7-E47 HydrophobicContact CG1-CB 4.23Å; I7-E47 HydrophobicContact CG2-CB 4.23Å; D43-E47 WeakPolarHBondContact O-CB 3.42Å; D43-E47 VanDerWaalsContact O-CG 3.23Å; D43-E47 WeakPolarHBondContact O-CG 3.32Å; D43-E47 PolarHBondContact O-N 3.41Å; D43-E47 VanDerWaalsContact O-N 3.09Å; M44-E47 PolarHBondContact O-N 2.98Å; I45-E47 PolarHBondContact O-N 3.11Å; E47-R51 WeakPolarHBondContact O-CB 3.4Å |
| 48 | V | 94.7 | Very high | 88.5 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -80.2 | -36.9 | 172.2 | -178.5 | 0 | 0 | 0 | 0 | 111.2 | I7 M44 I45 K46 R51 Q52 L64 I68 I117 L121 | I7-V48 HydrophobicContact CG2-CB 4.5Å; I7-V48 HydrophobicContact CG2-CG2 3.53Å; M44-V48 HydrophobicContact CG-CG2 4.37Å; M44-V48 VanDerWaalsContact O-CG2 3.25Å; M44-V48 WeakPolarHBondContact O-CG2 3.38Å; M44-V48 PolarHBondContact O-N 3.2Å; I45-V48 PolarHBondContact O-N 3.18Å; K46-V48 VanDerWaalsContact C-N 3.33Å; K46-V48 PolarHBondContact O-N 2.98Å; V48-R51 PolarHBondContact O-N 3.48Å; V48-R51 VanDerWaalsContact O-N 3.14Å; V48-Q52 PolarHBondContact O-N 3.43Å; V48-L64 HydrophobicContact CG1-CB 3.93Å; V48-L64 HydrophobicContact CG1-CD1 4.2Å; V48-L64 HydrophobicContact CG1-CD2 4.01Å; V48-L64 HydrophobicContact CG1-CG 4.26Å; V48-I68 HydrophobicContact CB-CD1 4.02Å; V48-I68 HydrophobicContact CB-CG1 4.28Å; V48-I68 HydrophobicContact CG1-CD1 3.78Å; V48-I68 HydrophobicContact CG1-CG1 4.03Å; V48-I117 HydrophobicContact CG1-CG2 4.05Å; V48-I117 HydrophobicContact CG2-CG2 3.74Å; V48-L121 HydrophobicContact CG2-CD1 4.31Å |
| 49 | D | 94.1 | Very high | 87.1 | Confident | 48 Ų | 48 | 54.1 Ų | 54.1 | 26% | 0.257 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -66.4 | -49.9 | -179.2 | -146.6 | -4.3 | 0 | 0 | 0 | 111.1 | I45 K46 R51 Q52 E53 I68 | I45-D49 WeakPolarHBondContact O-CB 3.47Å; I45-D49 PolarHBondContact O-N 2.88Å; K46-D49 PolarHBondContact O-N 3.27Å; D49-R51 PolarHBondContact O-N 3.17Å; D49-R51 VanDerWaalsContact O-N 3.12Å; D49-Q52 VanDerWaalsContact O-CG 3.29Å; D49-Q52 WeakPolarHBondContact O-CG 3.47Å; D49-Q52 PolarHBondContact O-N 3.05Å; D49-Q52 PolarHBondContact O-NE2 2.94Å; D49-Q52 PolarHBondContact OD1-NE2 3.14Å; D49-E53 PolarHBondContact O-N 3.28Å; D49-I68 HydrophobicContact CB-CD1 3.97Å |
| 50 | N | 93.4 | Very high | 86.1 | Confident | 82 Ų | 82 | 51.1 Ų | 51.1 | 44% | 0.439 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -52.6 | -35.8 | 169.9 | -73.3 | 16 | 0 | 0 | 0 | 112.3 | K46 | K46-N50 WeakPolarHBondContact O-CB 3.26Å; K46-N50 VanDerWaalsContact O-CG 3.28Å; K46-N50 PolarHBondContact O-N 3.17Å; K46-N50 PolarHBondContact O-OD1 2.95Å |
| 51 | R | 90 | Very high | 85.5 | Confident | 62 Ų | 62 | 50.9 Ų | 50.9 | 23% | 0.234 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -79.4 | -30.4 | -176.5 | 179.1 | 57.5 | -169.7 | 155.9 | 12.1 | 112.9 | I7 E47 V48 D49 E53 E54 L55 L121 | I7-R51 HydrophobicContact CD1-CB 3.56Å; I7-R51 HydrophobicContact CD1-CG 3.62Å; E47-R51 WeakPolarHBondContact O-CB 3.4Å; V48-R51 PolarHBondContact O-N 3.48Å; V48-R51 VanDerWaalsContact O-N 3.14Å; D49-R51 PolarHBondContact O-N 3.17Å; D49-R51 VanDerWaalsContact O-N 3.12Å; R51-E53 VanDerWaalsContact C-N 3.3Å; R51-E54 WeakPolarHBondContact CD-OE2 3.49Å; R51-E54 IonicContact CZ-OE2 2.65Å; R51-E54 IonicContact NE-OE2 2.73Å; R51-E54 IonicContact NH1-OE2 3.6Å; R51-E54 PolarHBondContact NH1-OE2 3.03Å; R51-E54 PolarHBondContact O-N 3.23Å; R51-L55 VanDerWaalsContact NH2-CD2 3.32Å; R51-L121 HydrophobicContact CB-CD2 4.38Å; R51-L121 HydrophobicContact CG-CD2 3.81Å |
| 52 | Q | 86.8 | Confident | 84.3 | Confident | 21 Ų | 21 | 51.1 Ų | 51.1 | 10% | 0.098 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -70.5 | -29.3 | 178.5 | 66.1 | 69.5 | 25.6 | 0 | 0 | 112 | V48 D49 E54 L55 S61 L64 L65 | V48-Q52 PolarHBondContact O-N 3.43Å; D49-Q52 VanDerWaalsContact O-CG 3.29Å; D49-Q52 WeakPolarHBondContact O-CG 3.47Å; D49-Q52 PolarHBondContact O-N 3.05Å; D49-Q52 PolarHBondContact O-NE2 2.94Å; D49-Q52 PolarHBondContact OD1-NE2 3.14Å; Q52-E54 VanDerWaalsContact C-N 3.28Å; Q52-E54 PolarHBondContact O-N 3.17Å; Q52-L55 PolarHBondContact O-N 3.24Å; Q52-S61 PolarHBondContact OE1-OG 3.06Å; Q52-L64 HydrophobicContact CB-CB 4.02Å; Q52-L64 HydrophobicContact CB-CD1 4.16Å; Q52-L65 HydrophobicContact CG-CD2 3.88Å; Q52-L65 HydrophobicContact CG-CG 3.88Å |
| 53 | E | 85.2 | Confident | 83.6 | Confident | 153 Ų | 153 | 49.5 Ų | 49.5 | 72% | 0.715 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -65 | -28.7 | 170.8 | -60 | -174.4 | 152.3 | 0 | 0 | 113 | D49 R51 L55 | D49-E53 PolarHBondContact O-N 3.28Å; R51-E53 VanDerWaalsContact C-N 3.3Å; E53-L55 VanDerWaalsContact C-N 3.33Å |
| 54 | E | 82.7 | Confident | 83.2 | Confident | 118 Ų | 118 | 46.4 Ų | 46.4 | 55% | 0.551 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81 | -5.3 | 177.6 | -63.5 | 179.2 | 160.7 | 0 | 0 | 114 | R51 Q52 | R51-E54 WeakPolarHBondContact CD-OE2 3.49Å; R51-E54 IonicContact CZ-OE2 2.65Å; R51-E54 IonicContact NE-OE2 2.73Å; R51-E54 IonicContact NH1-OE2 3.6Å; R51-E54 PolarHBondContact NH1-OE2 3.03Å; R51-E54 PolarHBondContact O-N 3.23Å; Q52-E54 VanDerWaalsContact C-N 3.28Å; Q52-E54 PolarHBondContact O-N 3.17Å |
| 55 | L | 79.2 | Confident | 82.8 | Confident | 27 Ų | 27 | 49.1 Ų | 49.1 | 14% | 0.141 | 25% | 0.247 | C | C | . | . | trans | -89.4 | 116.1 | -174 | -72.3 | 173.8 | 0 | 0 | 0 | 112 | R51 Q52 E53 I57 H60 L64 | R51-L55 VanDerWaalsContact NH2-CD2 3.32Å; Q52-L55 PolarHBondContact O-N 3.24Å; E53-L55 VanDerWaalsContact C-N 3.33Å; L55-I57 PolarHBondContact O-N 2.86Å; L55-H60 HydrophobicContact CD1-CB 3.93Å; L55-L64 HydrophobicContact CD1-CD1 3.69Å | ||
| 56 | T | 70.5 | Confident | 82.2 | Confident | 104 Ų | 104 | 50.3 Ų | 50.3 | 64% | 0.638 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -66.3 | -15.4 | 170.4 | 53.4 | 0 | 0 | 0 | 0 | 113.6 | ||
| 57 | I | 67.2 | Low | 81.8 | Confident | 25 Ų | 25 | 43.8 Ų | 43.8 | 13% | 0.128 | 22% | 0.221 | C | C | . | . | trans | -102.3 | 99 | -178.8 | -53.9 | -178.6 | 0 | 0 | 0 | 108.8 | L55 S59 H60 S61 E125 T126 | L55-I57 PolarHBondContact O-N 2.86Å; I57-S59 VanDerWaalsContact C-N 3.27Å; I57-S59 WeakPolarHBondContact CG2-OG 3.33Å; I57-S59 PolarHBondContact O-N 3.15Å; I57-H60 HydrophobicContact CB-CB 4.41Å; I57-H60 HydrophobicContact CG2-CB 4.42Å; I57-H60 WeakPolarHBondContact O-CB 3.34Å; I57-H60 PolarHBondContact O-N 3.25Å; I57-S61 PolarHBondContact O-N 3.25Å; I57-E125 VanDerWaalsContact CD1-C 3.47Å; I57-E125 WeakPolarHBondContact CD1-O 3.47Å; I57-T126 HydrophobicContact CD1-CG2 3.94Å; I57-T126 HydrophobicContact CG1-CG2 4.3Å | ||
| 58 | Q | 66.1 | Low | 81.7 | Confident | 52 Ų | 52 | 42.2 Ų | 42.2 | 24% | 0.243 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.2 | -32.3 | -172.1 | -164.9 | 62.9 | 50.4 | 0 | 0 | 113.8 | H60 S61 A62 H1009 | Q58-H60 VanDerWaalsContact C-N 3.26Å; Q58-H60 PolarHBondContact O-N 3.35Å; Q58-S61 PolarHBondContact NE2-OG 2.87Å; Q58-S61 PolarHBondContact O-N 3.06Å; Q58-A62 WeakPolarHBondContact O-CB 3.31Å; Q58-A62 PolarHBondContact O-N 3.45Å; Q58-H1009 VanDerWaalsContact CB-CE1 3.43Å; Q58-H1009 WeakPolarHBondContact CB-CE1 3.24Å |
| 59 | S | 65 | Low | 81.4 | Confident | 39 Ų | 39 | 46.7 Ų | 46.7 | 27% | 0.273 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.6 | -34.2 | 175.4 | 50.5 | 0 | 0 | 0 | 0 | 112 | I57 L63 | I57-S59 VanDerWaalsContact C-N 3.27Å; I57-S59 WeakPolarHBondContact CG2-OG 3.33Å; I57-S59 PolarHBondContact O-N 3.15Å; S59-L63 WeakPolarHBondContact O-CB 3.09Å; S59-L63 PolarHBondContact O-N 2.9Å |
| 60 | H | 74 | Confident | 81.1 | Confident | 3 Ų | 3 | 44.5 Ų | 44.5 | 1% | 0.014 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -76.5 | -40 | 178.3 | -57 | -179.7 | 0 | 0 | 0 | 110 | L55 I57 Q58 L63 L64 L123 E125 D127 | L55-H60 HydrophobicContact CD1-CB 3.93Å; I57-H60 HydrophobicContact CB-CB 4.41Å; I57-H60 HydrophobicContact CG2-CB 4.42Å; I57-H60 WeakPolarHBondContact O-CB 3.34Å; I57-H60 PolarHBondContact O-N 3.25Å; Q58-H60 VanDerWaalsContact C-N 3.26Å; Q58-H60 PolarHBondContact O-N 3.35Å; H60-L63 PolarHBondContact O-N 3.29Å; H60-L64 WeakPolarHBondContact O-CG 3.23Å; H60-L64 PolarHBondContact O-N 3.45Å; H60-L123 VanDerWaalsContact CE1-CB 3.41Å; H60-L123 WeakPolarHBondContact CE1-CB 3.32Å; H60-L123 WeakPolarHBondContact ND1-CB 3.48Å; H60-E125 PolarHBondContact CE1-O 3.01Å; H60-E125 VanDerWaalsContact CE1-O 3.29Å; H60-D127 IonicContact CE1-OD2 3.06Å |
| 61 | S | 79.6 | Confident | 81.1 | Confident | 3 Ų | 3 | 40.6 Ų | 40.6 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -56.9 | -50 | 169.2 | 159.4 | 0 | 0 | 0 | 0 | 111.6 | Q52 I57 Q58 L63 L64 L65 | Q52-S61 PolarHBondContact OE1-OG 3.06Å; I57-S61 PolarHBondContact O-N 3.25Å; Q58-S61 PolarHBondContact NE2-OG 2.87Å; Q58-S61 PolarHBondContact O-N 3.06Å; S61-L63 VanDerWaalsContact C-N 3.35Å; S61-L63 PolarHBondContact O-N 2.99Å; S61-L64 PolarHBondContact O-N 3.44Å; S61-L64 VanDerWaalsContact O-N 3.17Å; S61-L65 WeakPolarHBondContact O-CG 3.49Å; S61-L65 PolarHBondContact O-N 3.03Å |
| 62 | A | 70.1 | Confident | 81.2 | Confident | 12 Ų | 12 | 42.8 Ų | 42.8 | 10% | 0.099 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.5 | -37.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q58 R66 | Q58-A62 WeakPolarHBondContact O-CB 3.31Å; Q58-A62 PolarHBondContact O-N 3.45Å; A62-R66 WeakPolarHBondContact O-CB 3.14Å; A62-R66 PolarHBondContact O-N 3.09Å |
| 63 | L | 79.3 | Confident | 81.4 | Confident | 23 Ų | 23 | 43.7 Ų | 43.7 | 12% | 0.12 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.9 | -45.6 | 173.6 | -175.9 | 165.8 | 0 | 0 | 0 | 111.2 | S59 H60 S61 R66 G67 | S59-L63 WeakPolarHBondContact O-CB 3.09Å; S59-L63 PolarHBondContact O-N 2.9Å; H60-L63 PolarHBondContact O-N 3.29Å; S61-L63 VanDerWaalsContact C-N 3.35Å; S61-L63 PolarHBondContact O-N 2.99Å; L63-R66 PolarHBondContact O-N 3.02Å; L63-G67 PolarHBondContact O-N 3.36Å |
| 64 | L | 87.2 | Confident | 81.8 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.8 | -42 | 177.4 | -67.1 | -177.3 | 0 | 0 | 0 | 112.3 | V48 Q52 L55 H60 S61 G67 I68 I117 L121 | V48-L64 HydrophobicContact CG1-CB 3.93Å; V48-L64 HydrophobicContact CG1-CD1 4.2Å; V48-L64 HydrophobicContact CG1-CD2 4.01Å; V48-L64 HydrophobicContact CG1-CG 4.26Å; Q52-L64 HydrophobicContact CB-CB 4.02Å; Q52-L64 HydrophobicContact CB-CD1 4.16Å; L55-L64 HydrophobicContact CD1-CD1 3.69Å; H60-L64 WeakPolarHBondContact O-CG 3.23Å; H60-L64 PolarHBondContact O-N 3.45Å; S61-L64 PolarHBondContact O-N 3.44Å; S61-L64 VanDerWaalsContact O-N 3.17Å; L64-G67 PolarHBondContact O-N 3.39Å; L64-I68 WeakPolarHBondContact O-CG1 3.48Å; L64-I68 PolarHBondContact O-N 3.04Å; L64-I117 HydrophobicContact CD2-CB 4.45Å; L64-I117 HydrophobicContact CD2-CG2 4.17Å; L64-I117 WeakPolarHBondContact CD2-O 3.33Å; L64-L121 HydrophobicContact CD1-CD2 3.9Å; L64-L121 HydrophobicContact CD1-CG 4.42Å; L64-L121 HydrophobicContact CD2-CD2 4.33Å; L64-L121 HydrophobicContact CD2-CG 3.99Å |
| 65 | L | 87.7 | Confident | 82.3 | Confident | 58 Ų | 58 | 31.9 Ų | 31.9 | 30% | 0.304 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -59.5 | -46.1 | 173.6 | -75.8 | 170.9 | 0 | 0 | 0 | 112 | Q52 S61 G67 I68 E69 | Q52-L65 HydrophobicContact CG-CD2 3.88Å; Q52-L65 HydrophobicContact CG-CG 3.88Å; S61-L65 WeakPolarHBondContact O-CG 3.49Å; S61-L65 PolarHBondContact O-N 3.03Å; L65-G67 VanDerWaalsContact C-N 3.33Å; L65-G67 PolarHBondContact O-N 2.93Å; L65-I68 PolarHBondContact O-N 3Å; L65-E69 PolarHBondContact O-N 3.02Å |
| 66 | R | 83.8 | Confident | 83 | Confident | 51 Ų | 51 | 33.6 Ų | 33.6 | 19% | 0.192 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -56 | -47.3 | 174.3 | -172.5 | -164.9 | 71.1 | 71.1 | 12.2 | 111 | A62 L63 E69 Q70 E113 | A62-R66 WeakPolarHBondContact O-CB 3.14Å; A62-R66 PolarHBondContact O-N 3.09Å; L63-R66 PolarHBondContact O-N 3.02Å; R66-E69 PolarHBondContact O-N 3.42Å; R66-Q70 WeakPolarHBondContact O-CG 3.48Å; R66-Q70 PolarHBondContact O-N 2.9Å; R66-E113 IonicContact CZ-OE1 2.72Å; R66-E113 IonicContact CZ-OE2 3.47Å; R66-E113 VanDerWaalsContact CZ-OE2 3.25Å; R66-E113 VanDerWaalsContact NH1-CD 3.29Å; R66-E113 IonicContact NH1-OE1 2.9Å; R66-E113 PolarHBondContact NH1-OE1 2.87Å; R66-E113 IonicContact NH1-OE2 3.65Å; R66-E113 PolarHBondContact NH1-OE2 2.99Å; R66-E113 IonicContact NH2-OE1 3.73Å; R66-E113 IonicContact NH2-OE2 2.79Å; R66-E113 PolarHBondContact NH2-OE2 2.99Å |
| 67 | G | 86.9 | Confident | 84.2 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62 | -44.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L63 L64 L65 E69 Q70 V71 | L63-G67 PolarHBondContact O-N 3.36Å; L64-G67 PolarHBondContact O-N 3.39Å; L65-G67 VanDerWaalsContact C-N 3.33Å; L65-G67 PolarHBondContact O-N 2.93Å; G67-E69 VanDerWaalsContact C-N 3.33Å; G67-E69 PolarHBondContact O-N 2.69Å; G67-Q70 PolarHBondContact O-N 3.42Å; G67-V71 WeakPolarHBondContact O-CG2 3.49Å; G67-V71 PolarHBondContact O-N 3.08Å |
| 68 | I | 92.4 | Very high | 85.5 | Confident | 5 Ų | 5 | 27.8 Ų | 27.8 | 3% | 0.026 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -57.9 | -45.7 | 174.5 | -72.6 | 166.3 | 0 | 0 | 0 | 110.8 | I45 V48 D49 L64 L65 V71 K72 | I45-I68 HydrophobicContact CG2-CG2 3.95Å; V48-I68 HydrophobicContact CB-CD1 4.02Å; V48-I68 HydrophobicContact CB-CG1 4.28Å; V48-I68 HydrophobicContact CG1-CD1 3.78Å; V48-I68 HydrophobicContact CG1-CG1 4.03Å; D49-I68 HydrophobicContact CB-CD1 3.97Å; L64-I68 WeakPolarHBondContact O-CG1 3.48Å; L64-I68 PolarHBondContact O-N 3.04Å; L65-I68 PolarHBondContact O-N 3Å; I68-V71 PolarHBondContact O-N 3.47Å; I68-K72 HydrophobicContact CG2-CD 3.84Å; I68-K72 VanDerWaalsContact CG2-CE 3.46Å; I68-K72 HydrophobicContact CG2-CG 4.47Å; I68-K72 WeakPolarHBondContact O-CB 3.37Å; I68-K72 VanDerWaalsContact O-CG 3.3Å; I68-K72 WeakPolarHBondContact O-CG 3.23Å; I68-K72 PolarHBondContact O-N 2.8Å |
| 69 | E | 88.8 | Confident | 86.8 | Confident | 95 Ų | 95 | 27.5 Ų | 27.5 | 44% | 0.444 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -61.3 | -46.4 | 178 | -170.3 | -166.7 | -153.3 | 0 | 0 | 111.5 | L65 R66 G67 K72 R73 | L65-E69 PolarHBondContact O-N 3.02Å; R66-E69 PolarHBondContact O-N 3.42Å; G67-E69 VanDerWaalsContact C-N 3.33Å; G67-E69 PolarHBondContact O-N 2.69Å; E69-K72 PolarHBondContact O-N 3.19Å; E69-R73 WeakPolarHBondContact O-CB 3.26Å; E69-R73 PolarHBondContact O-N 2.81Å |
| 70 | Q | 87.8 | Confident | 88.2 | Confident | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.6 | -43.7 | 178.1 | -62.2 | -37.3 | -56.3 | 0 | 0 | 112.2 | R66 G67 K72 R73 L74 E113 R518 | R66-Q70 WeakPolarHBondContact O-CG 3.48Å; R66-Q70 PolarHBondContact O-N 2.9Å; G67-Q70 PolarHBondContact O-N 3.42Å; Q70-K72 VanDerWaalsContact C-N 3.33Å; Q70-K72 PolarHBondContact O-N 3.14Å; Q70-R73 PolarHBondContact O-N 3.42Å; Q70-R73 VanDerWaalsContact O-N 3.14Å; Q70-L74 WeakPolarHBondContact O-CB 3.47Å; Q70-L74 VanDerWaalsContact O-CG 3.26Å; Q70-L74 WeakPolarHBondContact O-CG 3.46Å; Q70-L74 PolarHBondContact O-N 3.18Å; Q70-E113 HydrophobicContact CB-CB 4.36Å; Q70-E113 HydrophobicContact CB-CG 3.83Å; Q70-E113 HydrophobicContact CG-CG 4.3Å; Q70-R518 VanDerWaalsContact NE2-NH1 3.11Å |
| 71 | V | 93.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.9 | -42 | 176.2 | 170.8 | 0 | 0 | 0 | 0 | 111.4 | M41 M44 I45 G67 I68 T75 M110 E113 I114 I117 | M41-V71 HydrophobicContact CG-CG1 3.86Å; M41-V71 HydrophobicContact SD-CG1 3.56Å; M41-V71 VanDerWaalsContact SD-CG1 3.56Å; M44-V71 HydrophobicContact CE-CG1 3.9Å; M44-V71 HydrophobicContact CE-CG2 4.31Å; I45-V71 HydrophobicContact CD1-CG1 4.29Å; G67-V71 WeakPolarHBondContact O-CG2 3.49Å; G67-V71 PolarHBondContact O-N 3.08Å; I68-V71 PolarHBondContact O-N 3.47Å; V71-T75 WeakPolarHBondContact O-CB 3.41Å; V71-T75 PolarHBondContact O-N 2.99Å; V71-T75 PolarHBondContact O-OG1 2.92Å; V71-M110 HydrophobicContact CG1-CE 4.28Å; V71-E113 HydrophobicContact CG2-CB 4.45Å; V71-I114 HydrophobicContact CG2-CG1 3.96Å; V71-I117 HydrophobicContact CG2-CD1 4.11Å |
| 72 | K | 92.8 | Very high | 89.8 | Confident | 108 Ų | 108 | 26.4 Ų | 26.4 | 47% | 0.47 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -60.5 | -44.4 | 173.3 | -74.3 | 168.6 | 176.1 | 169.4 | 0 | 111.4 | I45 I68 E69 Q70 P76 | I45-K72 HydrophobicContact CD1-CG 3.9Å; I68-K72 HydrophobicContact CG2-CD 3.84Å; I68-K72 VanDerWaalsContact CG2-CE 3.46Å; I68-K72 HydrophobicContact CG2-CG 4.47Å; I68-K72 WeakPolarHBondContact O-CB 3.37Å; I68-K72 VanDerWaalsContact O-CG 3.3Å; I68-K72 WeakPolarHBondContact O-CG 3.23Å; I68-K72 PolarHBondContact O-N 2.8Å; E69-K72 PolarHBondContact O-N 3.19Å; Q70-K72 VanDerWaalsContact C-N 3.33Å; Q70-K72 PolarHBondContact O-N 3.14Å; K72-P76 WeakPolarHBondContact O-CD 3.43Å |
| 73 | R | 89.9 | Confident | 90.8 | Very high | 40 Ų | 40 | 31.5 Ų | 31.5 | 15% | 0.151 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68.6 | -42.9 | -177.8 | -169.6 | 168.5 | 73.1 | 119.7 | 6.5 | 113.5 | E69 Q70 P76 I77 H511 D514 T515 | E69-R73 WeakPolarHBondContact O-CB 3.26Å; E69-R73 PolarHBondContact O-N 2.81Å; Q70-R73 PolarHBondContact O-N 3.42Å; Q70-R73 VanDerWaalsContact O-N 3.14Å; R73-P76 WeakPolarHBondContact O-CD 3.45Å; R73-I77 WeakPolarHBondContact O-CD1 3.44Å; R73-H511 PolarHBondContact NH1-CD2 2.85Å; R73-H511 PolarHBondContact NH1-O 2.72Å; R73-H511 VanDerWaalsContact NH1-O 3.09Å; R73-D514 IonicContact NH1-OD2 3.84Å; R73-T515 PolarHBondContact NH1-OG1 2.81Å; R73-T515 PolarHBondContact NH2-OG1 2.96Å |
| 74 | L | 93.1 | Very high | 91.4 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -74.5 | -32.2 | -177 | -67.3 | 171.2 | 0 | 0 | 0 | 113.4 | Q70 I77 L78 L106 E109 M110 H511 | Q70-L74 WeakPolarHBondContact O-CB 3.47Å; Q70-L74 VanDerWaalsContact O-CG 3.26Å; Q70-L74 WeakPolarHBondContact O-CG 3.46Å; Q70-L74 PolarHBondContact O-N 3.18Å; L74-I77 WeakPolarHBondContact O-CB 3.48Å; L74-I77 PolarHBondContact O-N 3.1Å; L74-L78 PolarHBondContact O-N 3.42Å; L74-L106 HydrophobicContact CD2-CD2 4.07Å; L74-E109 HydrophobicContact CD1-CB 4.36Å; L74-E109 HydrophobicContact CD1-CG 3.83Å; L74-E109 VanDerWaalsContact CD2-CD 3.49Å; L74-E109 HydrophobicContact CD2-CG 4.23Å; L74-E109 WeakPolarHBondContact CD2-OE2 3.22Å; L74-M110 HydrophobicContact CD1-CB 4.15Å; L74-H511 WeakPolarHBondContact CD2-NE2 3.39Å |
| 75 | T | 93.7 | Very high | 91.6 | Very high | 22 Ų | 22 | 31.2 Ų | 31.2 | 14% | 0.135 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -44.5 | -58.9 | -178.2 | -71.9 | 0 | 0 | 0 | 0 | 114.7 | M41 V71 I77 L78 I79 | M41-T75 HydrophobicContact CE-CG2 3.47Å; M41-T75 VanDerWaalsContact CE-CG2 3.47Å; M41-T75 WeakPolarHBondContact CE-OG1 3.38Å; M41-T75 PolarHBondContact SD-OG1 3.1Å; V71-T75 WeakPolarHBondContact O-CB 3.41Å; V71-T75 PolarHBondContact O-N 2.99Å; V71-T75 PolarHBondContact O-OG1 2.92Å; T75-I77 VanDerWaalsContact C-N 3.31Å; T75-I77 PolarHBondContact O-N 2.84Å; T75-L78 PolarHBondContact O-N 2.92Å; T75-I79 HydrophobicContact CG2-CD1 4.08Å; T75-I79 WeakPolarHBondContact O-CG1 3.5Å; T75-I79 PolarHBondContact O-N 3.03Å; T75-I79 VanDerWaalsContact O-N 3.16Å |
| 76 | P | 93.8 | Very high | 91.8 | Very high | 63 Ų | 63 | 28.7 Ų | 28.7 | 41% | 0.409 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -66.9 | -32.4 | -178.5 | 27.2 | -36.1 | 0 | 0 | 0 | 112.4 | K72 R73 I79 S80 M507 | K72-P76 WeakPolarHBondContact O-CD 3.43Å; R73-P76 WeakPolarHBondContact O-CD 3.45Å; P76-I79 PolarHBondContact O-N 3.31Å; P76-S80 WeakPolarHBondContact O-CB 3.36Å; P76-S80 PolarHBondContact O-N 3.12Å; P76-M507 HydrophobicContact CB-CE 3.83Å; P76-M507 HydrophobicContact CG-CE 4.44Å; P76-M507 WeakPolarHBondContact O-CE 3.31Å |
| 77 | I | 95 | Very high | 92 | Very high | 8 Ų | 8 | 27.6 Ų | 27.6 | 4% | 0.041 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -68 | -44.8 | -179.5 | -45.7 | 175.6 | 0 | 0 | 0 | 110 | R73 L74 T75 S80 S81 L106 M507 M508 H511 | R73-I77 WeakPolarHBondContact O-CD1 3.44Å; L74-I77 WeakPolarHBondContact O-CB 3.48Å; L74-I77 PolarHBondContact O-N 3.1Å; T75-I77 VanDerWaalsContact C-N 3.31Å; T75-I77 PolarHBondContact O-N 2.84Å; I77-S80 WeakPolarHBondContact O-CB 3.44Å; I77-S80 PolarHBondContact O-N 2.86Å; I77-S81 PolarHBondContact O-N 3.13Å; I77-L106 HydrophobicContact CB-CD1 4.45Å; I77-L106 HydrophobicContact CB-CD2 4.28Å; I77-L106 HydrophobicContact CG2-CD1 3.75Å; I77-L106 HydrophobicContact CG2-CD2 3.9Å; I77-M507 HydrophobicContact CG1-CE 4.27Å; I77-M508 HydrophobicContact CG2-CG 4.49Å; I77-M508 HydrophobicContact CG2-SD 3.55Å; I77-M508 VanDerWaalsContact CG2-SD 3.55Å; I77-H511 HydrophobicContact CD1-CB 3.73Å |
| 78 | L | 94.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.8 | -44.5 | 174.5 | 174.4 | 60.3 | 0 | 0 | 0 | 111.9 | L18 L74 T75 S80 S81 L82 L106 L107 M110 | L18-L78 HydrophobicContact CD2-CD2 3.89Å; L74-L78 PolarHBondContact O-N 3.42Å; T75-L78 PolarHBondContact O-N 2.92Å; L78-S80 VanDerWaalsContact C-N 3.3Å; L78-S80 PolarHBondContact O-N 3.12Å; L78-S81 PolarHBondContact O-N 3.15Å; L78-L82 HydrophobicContact CD1-CD1 3.92Å; L78-L82 HydrophobicContact CD1-CG 4.06Å; L78-L82 HydrophobicContact CG-CD1 3.93Å; L78-L82 WeakPolarHBondContact O-CB 3.25Å; L78-L82 WeakPolarHBondContact O-CG 3.37Å; L78-L82 PolarHBondContact O-N 3.12Å; L78-L106 HydrophobicContact CB-CB 4.32Å; L78-L106 HydrophobicContact CD1-CB 3.98Å; L78-L107 HydrophobicContact CD1-CD2 3.73Å; L78-L107 HydrophobicContact CD1-CG 3.76Å; L78-L107 HydrophobicContact CD2-CD2 3.89Å; L78-L107 HydrophobicContact CG-CD2 4.44Å; L78-M110 HydrophobicContact CD2-SD 3.51Å; L78-M110 VanDerWaalsContact CD2-SD 3.51Å |
| 79 | I | 93.5 | Very high | 91.8 | Very high | 45 Ų | 45 | 32.5 Ų | 32.5 | 23% | 0.231 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.5 | -39.9 | 177.2 | -66.3 | 169.5 | 0 | 0 | 0 | 110.9 | V34 T75 P76 K83 | V34-I79 HydrophobicContact CG1-CD1 4.23Å; V34-I79 HydrophobicContact CG2-CD1 4.15Å; V34-I79 HydrophobicContact CG2-CG1 4.03Å; V34-I79 HydrophobicContact CG2-CG2 4.1Å; T75-I79 HydrophobicContact CG2-CD1 4.08Å; T75-I79 WeakPolarHBondContact O-CG1 3.5Å; T75-I79 PolarHBondContact O-N 3.03Å; T75-I79 VanDerWaalsContact O-N 3.16Å; P76-I79 PolarHBondContact O-N 3.31Å; I79-K83 WeakPolarHBondContact O-CB 3.33Å; I79-K83 PolarHBondContact O-N 3.5Å |
| 80 | S | 94 | Very high | 91.5 | Very high | 23 Ų | 23 | 32.4 Ų | 32.4 | 16% | 0.161 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.1 | -45.8 | 174.5 | -174.3 | 0 | 0 | 0 | 0 | 111.9 | P76 I77 L78 K83 L84 H504 M507 | P76-S80 WeakPolarHBondContact O-CB 3.36Å; P76-S80 PolarHBondContact O-N 3.12Å; I77-S80 WeakPolarHBondContact O-CB 3.44Å; I77-S80 PolarHBondContact O-N 2.86Å; L78-S80 VanDerWaalsContact C-N 3.3Å; L78-S80 PolarHBondContact O-N 3.12Å; S80-K83 WeakPolarHBondContact O-CB 3.26Å; S80-K83 PolarHBondContact O-N 3.36Å; S80-L84 PolarHBondContact O-N 2.91Å; S80-H504 PolarHBondContact OG-ND1 2.85Å; S80-H504 VanDerWaalsContact OG-ND1 3.16Å; S80-M507 VanDerWaalsContact CB-SD 3.59Å; S80-M507 PolarHBondContact OG-SD 3.33Å; S80-M507 VanDerWaalsContact OG-SD 3.42Å |
| 81 | S | 94.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.3 | -45 | 178.7 | -150.9 | 0 | 0 | 0 | 0 | 112.7 | I77 L78 K83 L84 H85 N102 R103 H504 | I77-S81 PolarHBondContact O-N 3.13Å; L78-S81 PolarHBondContact O-N 3.15Å; S81-K83 VanDerWaalsContact C-N 3.32Å; S81-K83 PolarHBondContact O-N 3.17Å; S81-L84 PolarHBondContact O-N 3.22Å; S81-L84 VanDerWaalsContact O-N 3.16Å; S81-H85 WeakPolarHBondContact O-CB 3.47Å; S81-H85 PolarHBondContact O-N 3.01Å; S81-N102 WeakPolarHBondContact OG-CB 3.24Å; S81-R103 PolarHBondContact OG-N 2.89Å; S81-H504 VanDerWaalsContact CB-CE1 3.43Å; S81-H504 WeakPolarHBondContact CB-CE1 3.14Å; S81-H504 PolarHBondContact OG-NE2 3.22Å |
| 82 | L | 93.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.6 | -42.6 | 173.8 | -77.2 | 164.9 | 0 | 0 | 0 | 111.8 | A21 L30 F33 L78 L84 H85 V86 R103 | A21-L82 HydrophobicContact CB-CD2 4.25Å; L30-L82 HydrophobicContact CD1-CB 3.69Å; L30-L82 HydrophobicContact CD1-CD1 4.05Å; L30-L82 HydrophobicContact CD1-CG 4.43Å; L30-L82 HydrophobicContact CD2-CB 4.25Å; F33-L82 HydrophobicContact CD1-CD1 4.11Å; F33-L82 HydrophobicContact CE1-CD1 3.56Å; F33-L82 HydrophobicContact CZ-CD1 4.15Å; L78-L82 HydrophobicContact CD1-CD1 3.92Å; L78-L82 HydrophobicContact CD1-CG 4.06Å; L78-L82 HydrophobicContact CG-CD1 3.93Å; L78-L82 WeakPolarHBondContact O-CB 3.25Å; L78-L82 WeakPolarHBondContact O-CG 3.37Å; L78-L82 PolarHBondContact O-N 3.12Å; L82-L84 VanDerWaalsContact C-N 3.34Å; L82-L84 PolarHBondContact O-N 2.96Å; L82-H85 PolarHBondContact O-N 3.32Å; L82-V86 WeakPolarHBondContact O-CB 3.36Å; L82-V86 VanDerWaalsContact O-CG2 3.26Å; L82-V86 WeakPolarHBondContact O-CG2 3.38Å; L82-V86 PolarHBondContact O-N 3.02Å; L82-R103 HydrophobicContact CD2-CG 3.7Å; L82-R103 HydrophobicContact CG-CG 4.25Å |
| 83 | K | 92.2 | Very high | 90.3 | Very high | 119 Ų | 119 | 38.4 Ų | 38.4 | 52% | 0.517 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -62.4 | -40.8 | 176.1 | -174.2 | -172.1 | 176.1 | -168.3 | 0 | 111.7 | L27 L30 I79 S80 S81 N87 | L27-K83 HydrophobicContact CD1-CG 4.48Å; L30-K83 VanDerWaalsContact CD2-CA 3.45Å; L30-K83 HydrophobicContact CD2-CB 3.77Å; L30-K83 HydrophobicContact CD2-CG 4.41Å; I79-K83 WeakPolarHBondContact O-CB 3.33Å; I79-K83 PolarHBondContact O-N 3.5Å; S80-K83 WeakPolarHBondContact O-CB 3.26Å; S80-K83 PolarHBondContact O-N 3.36Å; S81-K83 VanDerWaalsContact C-N 3.32Å; S81-K83 PolarHBondContact O-N 3.17Å; K83-N87 WeakPolarHBondContact O-CB 3.49Å; K83-N87 PolarHBondContact O-N 3.25Å |
| 84 | L | 91.7 | Very high | 90 | Very high | 4 Ų | 4 | 38.8 Ų | 38.8 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69.1 | -44.7 | 178.4 | -179 | 61.2 | 0 | 0 | 0 | 112.2 | S80 S81 L82 N87 T88 L497 T501 H504 | S80-L84 PolarHBondContact O-N 2.91Å; S81-L84 PolarHBondContact O-N 3.22Å; S81-L84 VanDerWaalsContact O-N 3.16Å; L82-L84 VanDerWaalsContact C-N 3.34Å; L82-L84 PolarHBondContact O-N 2.96Å; L84-N87 PolarHBondContact O-N 3.32Å; L84-T88 HydrophobicContact CD1-CG2 4.26Å; L84-T88 WeakPolarHBondContact O-CG2 3.3Å; L84-T88 PolarHBondContact O-N 2.8Å; L84-T88 PolarHBondContact O-OG1 3.43Å; L84-L497 HydrophobicContact CD1-CD1 3.46Å; L84-L497 VanDerWaalsContact CD1-CD1 3.46Å; L84-T501 HydrophobicContact CD1-CG2 3.61Å; L84-T501 HydrophobicContact CD2-CG2 4.21Å; L84-H504 HydrophobicContact CD2-CB 4.21Å |
| 85 | H | 91.7 | Very high | 89.6 | Confident | 13 Ų | 13 | 39 Ų | 39 | 6% | 0.06 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.1 | -47 | 175.5 | 174.8 | 75.8 | 0 | 0 | 0 | 111.8 | S81 L82 N87 T88 H89 R103 | S81-H85 WeakPolarHBondContact O-CB 3.47Å; S81-H85 PolarHBondContact O-N 3.01Å; L82-H85 PolarHBondContact O-N 3.32Å; H85-N87 PolarHBondContact O-N 3.02Å; H85-T88 PolarHBondContact O-N 3.41Å; H85-T88 PolarHBondContact O-OG1 2.82Å; H85-T88 VanDerWaalsContact O-OG1 3.07Å; H85-H89 WeakPolarHBondContact O-CB 3.32Å; H85-H89 PolarHBondContact O-N 3.06Å; H85-R103 PolarHBondContact CD2-NH1 3.25Å; H85-R103 PolarHBondContact NE2-NH1 3.29Å |
| 86 | V | 91.3 | Very high | 89.3 | Confident | 4 Ų | 4 | 39.4 Ų | 39.4 | 2% | 0.024 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59 | -46.8 | 175.2 | 167.5 | 0 | 0 | 0 | 0 | 111 | V24 L27 L82 T88 Q90 | V24-V86 HydrophobicContact CG1-CG2 4.15Å; V24-V86 VanDerWaalsContact O-CG2 3.27Å; V24-V86 WeakPolarHBondContact O-CG2 3.42Å; L27-V86 HydrophobicContact CB-CG1 4.46Å; L82-V86 WeakPolarHBondContact O-CB 3.36Å; L82-V86 VanDerWaalsContact O-CG2 3.26Å; L82-V86 WeakPolarHBondContact O-CG2 3.38Å; L82-V86 PolarHBondContact O-N 3.02Å; V86-T88 PolarHBondContact O-N 3.01Å; V86-Q90 HydrophobicContact CG1-CG 4.16Å; V86-Q90 VanDerWaalsContact CG1-OE1 3.32Å; V86-Q90 VanDerWaalsContact O-CB 3.26Å; V86-Q90 WeakPolarHBondContact O-CB 3.31Å; V86-Q90 VanDerWaalsContact O-CG 3.28Å; V86-Q90 WeakPolarHBondContact O-CG 3.31Å; V86-Q90 PolarHBondContact O-N 3.15Å |
| 87 | N | 87.9 | Confident | 89 | Confident | 28 Ų | 28 | 39.8 Ų | 39.8 | 15% | 0.15 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.5 | -40.6 | -178.4 | -169.6 | 30.2 | 0 | 0 | 0 | 112.8 | K83 L84 H85 N91 | K83-N87 WeakPolarHBondContact O-CB 3.49Å; K83-N87 PolarHBondContact O-N 3.25Å; L84-N87 PolarHBondContact O-N 3.32Å; H85-N87 PolarHBondContact O-N 3.02Å; N87-N91 WeakPolarHBondContact O-CB 3.43Å; N87-N91 PolarHBondContact O-N 3.33Å; N87-N91 PolarHBondContact O-ND2 3.25Å; N87-N91 PolarHBondContact OD1-ND2 2.93Å |
| 88 | T | 88.2 | Confident | 88.9 | Confident | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.012 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -72.5 | -45.4 | 178.4 | 50.1 | 0 | 0 | 0 | 0 | 112 | L84 H85 V86 H92 L93 S99 L497 | L84-T88 HydrophobicContact CD1-CG2 4.26Å; L84-T88 WeakPolarHBondContact O-CG2 3.3Å; L84-T88 PolarHBondContact O-N 2.8Å; L84-T88 PolarHBondContact O-OG1 3.43Å; H85-T88 PolarHBondContact O-N 3.41Å; H85-T88 PolarHBondContact O-OG1 2.82Å; H85-T88 VanDerWaalsContact O-OG1 3.07Å; V86-T88 PolarHBondContact O-N 3.01Å; T88-H92 WeakPolarHBondContact O-CA 3.47Å; T88-H92 PolarHBondContact O-N 3.38Å; T88-L93 PolarHBondContact O-N 3.43Å; T88-S99 PolarHBondContact OG1-OG 2.92Å; T88-S99 VanDerWaalsContact OG1-OG 3.1Å; T88-L497 HydrophobicContact CG2-CD1 3.55Å; T88-L497 HydrophobicContact CG2-CD2 4.31Å |
| 89 | H | 87 | Confident | 88.6 | Confident | 107 Ų | 107 | 40.8 Ų | 40.8 | 50% | 0.495 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -69.3 | -40.9 | -179.1 | -169.6 | -62.8 | 0 | 0 | 0 | 112.9 | H85 N91 | H85-H89 WeakPolarHBondContact O-CB 3.32Å; H85-H89 PolarHBondContact O-N 3.06Å; H89-N91 PolarHBondContact O-N 3.39Å |
| 90 | Q | 83.3 | Confident | 88.5 | Confident | 92 Ų | 92 | 42.5 Ų | 42.5 | 43% | 0.43 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -68.3 | -32.9 | -179.8 | -73 | -160.2 | -81.6 | 0 | 0 | 113.3 | S25 V86 | S25-Q90 VanDerWaalsContact O-CD 3.26Å; S25-Q90 WeakPolarHBondContact O-CG 3.28Å; S25-Q90 PolarHBondContact O-NE2 2.81Å; V86-Q90 HydrophobicContact CG1-CG 4.16Å; V86-Q90 VanDerWaalsContact CG1-OE1 3.32Å; V86-Q90 VanDerWaalsContact O-CB 3.26Å; V86-Q90 WeakPolarHBondContact O-CB 3.31Å; V86-Q90 VanDerWaalsContact O-CG 3.28Å; V86-Q90 WeakPolarHBondContact O-CG 3.31Å; V86-Q90 PolarHBondContact O-N 3.15Å |
| 91 | N | 81.1 | Confident | 88.4 | Confident | 62 Ų | 62 | 43 Ų | 43 | 33% | 0.332 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 5.6 | -175.5 | -61 | -61.8 | 0 | 0 | 0 | 113.2 | N87 H89 L93 | N87-N91 WeakPolarHBondContact O-CB 3.43Å; N87-N91 PolarHBondContact O-N 3.33Å; N87-N91 PolarHBondContact O-ND2 3.25Å; N87-N91 PolarHBondContact OD1-ND2 2.93Å; H89-N91 PolarHBondContact O-N 3.39Å; N91-L93 HydrophobicContact CB-CD1 3.7Å; N91-L93 HydrophobicContact CB-CD2 4.48Å; N91-L93 HydrophobicContact CB-CG 3.7Å; N91-L93 PolarHBondContact O-N 2.78Å |
| 92 | H | 82.7 | Confident | 88.4 | Confident | 168 Ų | 168 | 43 Ų | 43 | 78% | 0.778 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 36.2 | -175.2 | -58.6 | -62.7 | 0 | 0 | 0 | 114.4 | T88 | T88-H92 WeakPolarHBondContact O-CA 3.47Å; T88-H92 PolarHBondContact O-N 3.38Å |
| 93 | L | 84.5 | Confident | 88.4 | Confident | 5 Ų | 5 | 43.7 Ų | 43.7 | 3% | 0.026 | 23% | 0.233 | C | C | . | . | trans | -84.2 | 153.2 | -179.2 | -59 | 168.3 | 0 | 0 | 0 | 111.1 | T88 N91 L488 Q491 L497 | T88-L93 PolarHBondContact O-N 3.43Å; N91-L93 HydrophobicContact CB-CD1 3.7Å; N91-L93 HydrophobicContact CB-CD2 4.48Å; N91-L93 HydrophobicContact CB-CG 3.7Å; N91-L93 PolarHBondContact O-N 2.78Å; L93-L488 HydrophobicContact CD2-CD2 4.27Å; L93-Q491 HydrophobicContact CD2-CB 4.21Å; L93-L497 HydrophobicContact CB-CD2 3.8Å; L93-L497 HydrophobicContact CD1-CB 4.37Å; L93-L497 HydrophobicContact CD1-CD2 3.95Å; L93-L497 HydrophobicContact CG-CD2 4.41Å | ||
| 94 | P | 84.3 | Confident | 88.4 | Confident | 49 Ų | 49 | 41 Ų | 41 | 32% | 0.318 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | 158.1 | 176.2 | 30.3 | -37 | 0 | 0 | 0 | 111.9 | L482 L488 | P94-L482 HydrophobicContact CB-CB 4.28Å; P94-L488 HydrophobicContact CG-CD1 3.73Å; P94-L488 HydrophobicContact CG-CD2 3.91Å; P94-L488 HydrophobicContact CG-CG 4.47Å |
| 95 | G | 84 | Confident | 88.4 | Confident | 4 Ų | 4 | 41.7 Ų | 41.7 | 4% | 0.041 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.9 | 5.3 | -172 | 0 | 0 | 0 | 0 | 0 | 114.7 | A97 E98 S99 | G95-A97 VanDerWaalsContact C-N 3.35Å; G95-A97 PolarHBondContact O-N 3.34Å; G95-E98 WeakPolarHBondContact CA-OE2 3.32Å; G95-S99 WeakPolarHBondContact O-CB 3.38Å; G95-S99 PolarHBondContact O-N 3.18Å; G95-S99 PolarHBondContact O-OG 3.14Å |
| 96 | A | 86.6 | Confident | 88.5 | Confident | 32 Ų | 32 | 41 Ų | 41 | 26% | 0.264 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.7 | -34.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | S99 Q100 | A96-S99 PolarHBondContact O-OG 2.99Å; A96-Q100 VanDerWaalsContact O-CB 3.3Å; A96-Q100 WeakPolarHBondContact O-CB 3.47Å; A96-Q100 PolarHBondContact O-N 2.98Å |
| 97 | A | 88.7 | Confident | 88.6 | Confident | 70 Ų | 70 | 41.9 Ų | 41.9 | 58% | 0.579 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -75.7 | -43.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | G95 Q100 A101 | G95-A97 VanDerWaalsContact C-N 3.35Å; G95-A97 PolarHBondContact O-N 3.34Å; A97-Q100 PolarHBondContact O-N 3.31Å; A97-A101 WeakPolarHBondContact O-CB 3.3Å; A97-A101 PolarHBondContact O-N 2.87Å |
| 98 | E | 91.2 | Very high | 88.8 | Confident | 30 Ų | 30 | 44.4 Ų | 44.4 | 14% | 0.14 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.1 | -48.8 | 175 | -69.3 | 76.7 | -177.5 | 0 | 0 | 111.3 | G95 A101 N102 L475 R478 A479 L482 | G95-E98 WeakPolarHBondContact CA-OE2 3.32Å; E98-A101 PolarHBondContact O-N 2.8Å; E98-N102 PolarHBondContact O-N 2.68Å; E98-N102 PolarHBondContact O-OD1 2.95Å; E98-L475 HydrophobicContact CB-CB 4.35Å; E98-L475 HydrophobicContact CG-CB 4.46Å; E98-L475 HydrophobicContact CG-CD2 4.09Å; E98-R478 HydrophobicContact CG-CB 4.23Å; E98-R478 HydrophobicContact CG-CG 4.12Å; E98-R478 VanDerWaalsContact OE1-CD 3.29Å; E98-R478 WeakPolarHBondContact OE1-CD 3.26Å; E98-A479 HydrophobicContact CB-CB 4.08Å; E98-L482 WeakPolarHBondContact OE1-CD1 3.44Å |
| 99 | S | 90.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -69.7 | -31.2 | 178.8 | 59.4 | 0 | 0 | 0 | 0 | 113.4 | T88 G95 A96 R103 | T88-S99 PolarHBondContact OG1-OG 2.92Å; T88-S99 VanDerWaalsContact OG1-OG 3.1Å; G95-S99 WeakPolarHBondContact O-CB 3.38Å; G95-S99 PolarHBondContact O-N 3.18Å; G95-S99 PolarHBondContact O-OG 3.14Å; A96-S99 PolarHBondContact O-OG 2.99Å; S99-R103 VanDerWaalsContact O-CB 3.3Å; S99-R103 WeakPolarHBondContact O-CB 3.24Å; S99-R103 PolarHBondContact O-N 3.22Å |
| 100 | Q | 91.3 | Very high | 89.1 | Confident | 81 Ų | 81 | 40 Ų | 40 | 38% | 0.379 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.8 | -46.7 | 167.6 | -179.5 | 175.7 | -14.8 | 0 | 0 | 111.2 | A96 A97 N102 R103 D104 | A96-Q100 VanDerWaalsContact O-CB 3.3Å; A96-Q100 WeakPolarHBondContact O-CB 3.47Å; A96-Q100 PolarHBondContact O-N 2.98Å; A97-Q100 PolarHBondContact O-N 3.31Å; Q100-N102 VanDerWaalsContact C-N 3.35Å; Q100-N102 PolarHBondContact O-N 3.45Å; Q100-R103 WeakPolarHBondContact O-CB 3.49Å; Q100-R103 PolarHBondContact O-N 3Å; Q100-D104 WeakPolarHBondContact CG-OD2 3.39Å; Q100-D104 PolarHBondContact NE2-OD2 2.74Å; Q100-D104 WeakPolarHBondContact O-CB 3.47Å; Q100-D104 PolarHBondContact O-N 2.76Å |
| 101 | A | 91.6 | Very high | 89.6 | Confident | 34 Ų | 34 | 37.1 Ų | 37.1 | 28% | 0.281 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63 | -40.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A97 E98 F105 Q472 L475 | A97-A101 WeakPolarHBondContact O-CB 3.3Å; A97-A101 PolarHBondContact O-N 2.87Å; E98-A101 PolarHBondContact O-N 2.8Å; A101-F105 WeakPolarHBondContact O-CB 3.42Å; A101-F105 PolarHBondContact O-N 3.4Å; A101-Q472 PolarHBondContact O-OE1 3.01Å; A101-L475 HydrophobicContact CB-CD1 3.81Å |
| 102 | N | 93.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.6 | -44 | 172.1 | -66.7 | 152.7 | 0 | 0 | 0 | 112 | S81 E98 Q100 L106 Q472 | S81-N102 WeakPolarHBondContact OG-CB 3.24Å; E98-N102 PolarHBondContact O-N 2.68Å; E98-N102 PolarHBondContact O-OD1 2.95Å; Q100-N102 VanDerWaalsContact C-N 3.35Å; Q100-N102 PolarHBondContact O-N 3.45Å; N102-L106 WeakPolarHBondContact O-CB 3.4Å; N102-L106 WeakPolarHBondContact O-CD1 3.18Å; N102-L106 VanDerWaalsContact O-CG 3.28Å; N102-L106 WeakPolarHBondContact O-CG 3.34Å; N102-L106 PolarHBondContact O-N 2.65Å; N102-Q472 PolarHBondContact ND2-O 2.81Å; N102-Q472 PolarHBondContact ND2-OE1 3.3Å |
| 103 | R | 93.4 | Very high | 90 | Very high | 14 Ų | 14 | 29.5 Ų | 29.5 | 5% | 0.053 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59 | -50.1 | 176.2 | 178 | -160.4 | 74.3 | 167.1 | 8.8 | 111.4 | S81 L82 H85 S99 Q100 F105 L106 L107 | S81-R103 PolarHBondContact OG-N 2.89Å; L82-R103 HydrophobicContact CD2-CG 3.7Å; L82-R103 HydrophobicContact CG-CG 4.25Å; H85-R103 PolarHBondContact CD2-NH1 3.25Å; H85-R103 PolarHBondContact NE2-NH1 3.29Å; S99-R103 VanDerWaalsContact O-CB 3.3Å; S99-R103 WeakPolarHBondContact O-CB 3.24Å; S99-R103 PolarHBondContact O-N 3.22Å; Q100-R103 WeakPolarHBondContact O-CB 3.49Å; Q100-R103 PolarHBondContact O-N 3Å; R103-F105 VanDerWaalsContact C-N 3.34Å; R103-F105 PolarHBondContact O-N 3.3Å; R103-L106 PolarHBondContact O-N 3.48Å; R103-L107 HydrophobicContact CG-CD1 4Å; R103-L107 WeakPolarHBondContact O-CB 3.43Å; R103-L107 VanDerWaalsContact O-CG 3.31Å; R103-L107 WeakPolarHBondContact O-CG 3.48Å; R103-L107 PolarHBondContact O-N 3.44Å |
| 104 | D | 92.3 | Very high | 90.3 | Very high | 63 Ų | 63 | 29.3 Ų | 29.3 | 34% | 0.337 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -67.8 | -36.6 | -174.2 | -66.1 | -7.6 | 0 | 0 | 0 | 111.1 | Q100 S108 | Q100-D104 WeakPolarHBondContact CG-OD2 3.39Å; Q100-D104 PolarHBondContact NE2-OD2 2.74Å; Q100-D104 WeakPolarHBondContact O-CB 3.47Å; Q100-D104 PolarHBondContact O-N 2.76Å; D104-S108 WeakPolarHBondContact O-CB 3.47Å; D104-S108 PolarHBondContact O-N 3.09Å; D104-S108 VanDerWaalsContact O-N 3.13Å |
| 105 | F | 92.8 | Very high | 90.5 | Very high | 17 Ų | 17 | 31.8 Ų | 31.8 | 8% | 0.075 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63 | -53.4 | 170 | 169.7 | -99 | 0 | 0 | 0 | 112.5 | A101 R103 L107 S108 E109 E468 L469 Q472 | A101-F105 WeakPolarHBondContact O-CB 3.42Å; A101-F105 PolarHBondContact O-N 3.4Å; R103-F105 VanDerWaalsContact C-N 3.34Å; R103-F105 PolarHBondContact O-N 3.3Å; F105-L107 VanDerWaalsContact C-N 3.26Å; F105-L107 PolarHBondContact O-N 2.92Å; F105-S108 CarbonylContact O-C 3.53Å; F105-S108 WeakPolarHBondContact O-CA 3.28Å; F105-S108 WeakPolarHBondContact O-CB 3.45Å; F105-S108 PolarHBondContact O-N 2.82Å; F105-E109 WeakPolarHBondContact CE1-OE2 3.42Å; F105-E109 HydrophobicContact CZ-CB 4.41Å; F105-E109 HydrophobicContact CZ-CG 4.41Å; F105-E109 WeakPolarHBondContact CZ-OE2 3.47Å; F105-E109 WeakPolarHBondContact O-CB 3.48Å; F105-E109 PolarHBondContact O-N 3.19Å; F105-E468 HydrophobicContact CD2-CG 3.85Å; F105-E468 WeakPolarHBondContact CD2-OE1 3.35Å; F105-E468 HydrophobicContact CE2-CB 4.16Å; F105-E468 HydrophobicContact CE2-CG 3.6Å; F105-L469 HydrophobicContact CE1-CD1 4.15Å; F105-L469 HydrophobicContact CZ-CB 4.4Å; F105-L469 HydrophobicContact CZ-CD1 4.48Å; F105-Q472 HydrophobicContact CB-CG 4.04Å; F105-Q472 HydrophobicContact CD1-CB 4.25Å; F105-Q472 HydrophobicContact CD1-CG 3.6Å; F105-Q472 HydrophobicContact CD2-CG 3.91Å; F105-Q472 HydrophobicContact CE1-CB 4.46Å; F105-Q472 HydrophobicContact CE1-CG 3.99Å; F105-Q472 HydrophobicContact CE2-CG 4.27Å; F105-Q472 HydrophobicContact CG-CG 3.56Å; F105-Q472 HydrophobicContact CZ-CG 4.32Å |
| 106 | L | 93.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.4 | -31.8 | -177.2 | -70.4 | 163.4 | 0 | 0 | 0 | 112.4 | L74 I77 L78 N102 R103 M110 M508 | L74-L106 HydrophobicContact CD2-CD2 4.07Å; I77-L106 HydrophobicContact CB-CD1 4.45Å; I77-L106 HydrophobicContact CB-CD2 4.28Å; I77-L106 HydrophobicContact CG2-CD1 3.75Å; I77-L106 HydrophobicContact CG2-CD2 3.9Å; L78-L106 HydrophobicContact CB-CB 4.32Å; L78-L106 HydrophobicContact CD1-CB 3.98Å; N102-L106 WeakPolarHBondContact O-CB 3.4Å; N102-L106 WeakPolarHBondContact O-CD1 3.18Å; N102-L106 VanDerWaalsContact O-CG 3.28Å; N102-L106 WeakPolarHBondContact O-CG 3.34Å; N102-L106 PolarHBondContact O-N 2.65Å; R103-L106 PolarHBondContact O-N 3.48Å; L106-M110 WeakPolarHBondContact O-CB 3.49Å; L106-M110 PolarHBondContact O-N 3.22Å; L106-M508 HydrophobicContact CD1-SD 4.38Å |
| 107 | L | 93.7 | Very high | 90.4 | Very high | 22 Ų | 22 | 32.5 Ų | 32.5 | 12% | 0.115 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.6 | -40.8 | 170.7 | -74 | 170.1 | 0 | 0 | 0 | 112.1 | L18 A21 L78 R103 F105 S111 | L18-L107 HydrophobicContact CD2-CD2 4.27Å; A21-L107 HydrophobicContact CB-CD1 3.73Å; A21-L107 HydrophobicContact CB-CD2 3.51Å; A21-L107 HydrophobicContact CB-CG 4.27Å; L78-L107 HydrophobicContact CD1-CD2 3.73Å; L78-L107 HydrophobicContact CD1-CG 3.76Å; L78-L107 HydrophobicContact CD2-CD2 3.89Å; L78-L107 HydrophobicContact CG-CD2 4.44Å; R103-L107 HydrophobicContact CG-CD1 4Å; R103-L107 WeakPolarHBondContact O-CB 3.43Å; R103-L107 VanDerWaalsContact O-CG 3.31Å; R103-L107 WeakPolarHBondContact O-CG 3.48Å; R103-L107 PolarHBondContact O-N 3.44Å; F105-L107 VanDerWaalsContact C-N 3.26Å; F105-L107 PolarHBondContact O-N 2.92Å; L107-S111 WeakPolarHBondContact O-CB 3.25Å; L107-S111 PolarHBondContact O-N 2.92Å; L107-S111 PolarHBondContact O-OG 2.96Å |
| 108 | S | 91 | Very high | 90.4 | Very high | 81 Ų | 81 | 30 Ų | 30 | 57% | 0.566 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -67.7 | -47.6 | 176.6 | -170.4 | 0 | 0 | 0 | 0 | 111.7 | D104 F105 S111 S112 | D104-S108 WeakPolarHBondContact O-CB 3.47Å; D104-S108 PolarHBondContact O-N 3.09Å; D104-S108 VanDerWaalsContact O-N 3.13Å; F105-S108 CarbonylContact O-C 3.53Å; F105-S108 WeakPolarHBondContact O-CA 3.28Å; F105-S108 WeakPolarHBondContact O-CB 3.45Å; F105-S108 PolarHBondContact O-N 2.82Å; S108-S111 PolarHBondContact O-N 3.1Å; S108-S112 WeakPolarHBondContact O-CB 3.36Å; S108-S112 PolarHBondContact O-N 3.44Å |
| 109 | E | 89.9 | Confident | 90 | Very high | 16 Ų | 16 | 32.4 Ų | 32.4 | 8% | 0.075 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.9 | -51.9 | 179.3 | -168.3 | -177.9 | -165.7 | 0 | 0 | 111.2 | L74 F105 S111 S112 E113 H511 | L74-E109 HydrophobicContact CD1-CB 4.36Å; L74-E109 HydrophobicContact CD1-CG 3.83Å; L74-E109 VanDerWaalsContact CD2-CD 3.49Å; L74-E109 HydrophobicContact CD2-CG 4.23Å; L74-E109 WeakPolarHBondContact CD2-OE2 3.22Å; F105-E109 WeakPolarHBondContact CE1-OE2 3.42Å; F105-E109 HydrophobicContact CZ-CB 4.41Å; F105-E109 HydrophobicContact CZ-CG 4.41Å; F105-E109 WeakPolarHBondContact CZ-OE2 3.47Å; F105-E109 WeakPolarHBondContact O-CB 3.48Å; F105-E109 PolarHBondContact O-N 3.19Å; E109-S111 VanDerWaalsContact C-N 3.31Å; E109-S111 PolarHBondContact O-N 3.34Å; E109-S112 WeakPolarHBondContact O-CB 3.19Å; E109-S112 PolarHBondContact O-N 3.5Å; E109-S112 VanDerWaalsContact O-N 3.13Å; E109-E113 PolarHBondContact O-N 2.78Å; E109-H511 IonicContact OE1-NE2 3.3Å; E109-H511 PolarHBondContact OE1-NE2 3.46Å; E109-H511 IonicContact OE2-NE2 3.54Å; E109-H511 PolarHBondContact OE2-NE2 3.07Å |
| 110 | M | 92.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64 | -35.1 | 177.2 | -174.6 | -178.5 | 175.9 | 0 | 0 | 112.5 | V14 L18 L37 M41 V71 L74 L78 L106 I114 | V14-M110 HydrophobicContact CG1-CE 4.46Å; L18-M110 HydrophobicContact CD1-CE 4.12Å; L18-M110 HydrophobicContact CD1-CG 4Å; L18-M110 HydrophobicContact CD1-SD 4Å; L18-M110 HydrophobicContact CD2-CE 4Å; L18-M110 HydrophobicContact CD2-SD 3.71Å; L37-M110 HydrophobicContact CD1-CE 4.43Å; M41-M110 HydrophobicContact CE-CE 4.28Å; M41-M110 HydrophobicContact SD-CE 3.25Å; M41-M110 WeakPolarHBondContact SD-CE 3.2Å; V71-M110 HydrophobicContact CG1-CE 4.28Å; L74-M110 HydrophobicContact CD1-CB 4.15Å; L78-M110 HydrophobicContact CD2-SD 3.51Å; L78-M110 VanDerWaalsContact CD2-SD 3.51Å; L106-M110 WeakPolarHBondContact O-CB 3.49Å; L106-M110 PolarHBondContact O-N 3.22Å; M110-I114 HydrophobicContact CE-CD1 4.49Å; M110-I114 HydrophobicContact CG-CD1 4.36Å; M110-I114 WeakPolarHBondContact O-CD1 3.35Å; M110-I114 VanDerWaalsContact O-CG1 3.31Å; M110-I114 WeakPolarHBondContact O-CG1 3.45Å; M110-I114 PolarHBondContact O-N 3.41Å |
| 111 | S | 91.8 | Very high | 89.2 | Confident | 31 Ų | 31 | 28.9 Ų | 28.9 | 22% | 0.217 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68.7 | -38.4 | 173.9 | -62 | 0 | 0 | 0 | 0 | 111.7 | L107 S108 E109 I114 H115 | L107-S111 WeakPolarHBondContact O-CB 3.25Å; L107-S111 PolarHBondContact O-N 2.92Å; L107-S111 PolarHBondContact O-OG 2.96Å; S108-S111 PolarHBondContact O-N 3.1Å; E109-S111 VanDerWaalsContact C-N 3.31Å; E109-S111 PolarHBondContact O-N 3.34Å; S111-I114 PolarHBondContact O-N 3.22Å; S111-H115 PolarHBondContact O-N 3.4Å; S111-H115 VanDerWaalsContact O-N 3.13Å; S111-H115 PolarHBondContact O-ND1 2.98Å |
| 112 | S | 85.7 | Confident | 88.8 | Confident | 66 Ų | 66 | 32.1 Ų | 32.1 | 46% | 0.462 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -61.5 | -50.3 | 177.6 | -161.4 | 0 | 0 | 0 | 0 | 110.9 | S108 E109 I114 H115 E116 | S108-S112 WeakPolarHBondContact O-CB 3.36Å; S108-S112 PolarHBondContact O-N 3.44Å; E109-S112 WeakPolarHBondContact O-CB 3.19Å; E109-S112 PolarHBondContact O-N 3.5Å; E109-S112 VanDerWaalsContact O-N 3.13Å; S112-I114 PolarHBondContact O-N 3.28Å; S112-H115 CarbonylContact O-C 2.86Å; S112-H115 WeakPolarHBondContact O-CA 3.4Å; S112-H115 WeakPolarHBondContact O-CB 3.31Å; S112-H115 PolarHBondContact O-N 3.43Å; S112-E116 PolarHBondContact O-N 3.39Å |
| 113 | E | 87.5 | Confident | 87.9 | Confident | 5 Ų | 5 | 33.3 Ų | 33.3 | 2% | 0.023 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.2 | -27.5 | 178.9 | -68.1 | -69.1 | -179.2 | 0 | 0 | 113.2 | R66 Q70 V71 E109 I117 Q465 | R66-E113 IonicContact CZ-OE1 2.72Å; R66-E113 IonicContact CZ-OE2 3.47Å; R66-E113 VanDerWaalsContact CZ-OE2 3.25Å; R66-E113 VanDerWaalsContact NH1-CD 3.29Å; R66-E113 IonicContact NH1-OE1 2.9Å; R66-E113 PolarHBondContact NH1-OE1 2.87Å; R66-E113 IonicContact NH1-OE2 3.65Å; R66-E113 PolarHBondContact NH1-OE2 2.99Å; R66-E113 IonicContact NH2-OE1 3.73Å; R66-E113 IonicContact NH2-OE2 2.79Å; R66-E113 PolarHBondContact NH2-OE2 2.99Å; Q70-E113 HydrophobicContact CB-CB 4.36Å; Q70-E113 HydrophobicContact CB-CG 3.83Å; Q70-E113 HydrophobicContact CG-CG 4.3Å; V71-E113 HydrophobicContact CG2-CB 4.45Å; E109-E113 PolarHBondContact O-N 2.78Å; E113-I117 VanDerWaalsContact O-CG1 3.32Å; E113-I117 WeakPolarHBondContact O-CG1 3.43Å; E113-I117 PolarHBondContact O-N 3.44Å; E113-Q465 PolarHBondContact OE1-NE2 3.25Å |
| 114 | I | 91.5 | Very high | 86.7 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -75.4 | -30.6 | 171.5 | -62.4 | 164.3 | 0 | 0 | 0 | 111.9 | C11 V14 L15 L18 M44 V71 M110 S111 S112 I118 | C11-I114 HydrophobicContact CB-CG2 3.87Å; V14-I114 HydrophobicContact CB-CD1 4.28Å; V14-I114 HydrophobicContact CG1-CD1 3.59Å; L15-I114 HydrophobicContact CD1-CG2 3.94Å; L15-I114 HydrophobicContact CD2-CB 4.06Å; L15-I114 HydrophobicContact CD2-CD1 4.36Å; L15-I114 HydrophobicContact CD2-CG2 4.09Å; L15-I114 HydrophobicContact CG-CB 4.29Å; L15-I114 HydrophobicContact CG-CG2 3.75Å; L18-I114 HydrophobicContact CD1-CD1 3.8Å; M44-I114 HydrophobicContact CE-CD1 4.42Å; M44-I114 HydrophobicContact CE-CG1 4.13Å; M44-I114 HydrophobicContact SD-CD1 4.49Å; M44-I114 HydrophobicContact SD-CG1 4.28Å; M44-I114 HydrophobicContact SD-CG2 4.1Å; V71-I114 HydrophobicContact CG2-CG1 3.96Å; M110-I114 HydrophobicContact CE-CD1 4.49Å; M110-I114 HydrophobicContact CG-CD1 4.36Å; M110-I114 WeakPolarHBondContact O-CD1 3.35Å; M110-I114 VanDerWaalsContact O-CG1 3.31Å; M110-I114 WeakPolarHBondContact O-CG1 3.45Å; M110-I114 PolarHBondContact O-N 3.41Å; S111-I114 PolarHBondContact O-N 3.22Å; S112-I114 PolarHBondContact O-N 3.28Å; I114-I118 HydrophobicContact CG2-CD1 4.32Å; I114-I118 VanDerWaalsContact O-CG1 3.26Å; I114-I118 WeakPolarHBondContact O-CG1 3.37Å; I114-I118 PolarHBondContact O-N 3.47Å |
| 115 | H | 87.7 | Confident | 85.1 | Confident | 102 Ų | 102 | 40.1 Ų | 40.1 | 47% | 0.472 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -71.9 | -34.6 | 170.3 | -69.8 | 90.7 | 0 | 0 | 0 | 112 | S111 S112 I118 R119 | S111-H115 PolarHBondContact O-N 3.4Å; S111-H115 VanDerWaalsContact O-N 3.13Å; S111-H115 PolarHBondContact O-ND1 2.98Å; S112-H115 CarbonylContact O-C 2.86Å; S112-H115 WeakPolarHBondContact O-CA 3.4Å; S112-H115 WeakPolarHBondContact O-CB 3.31Å; S112-H115 PolarHBondContact O-N 3.43Å; H115-I118 PolarHBondContact O-N 2.92Å; H115-R119 PolarHBondContact O-N 2.88Å |
| 116 | E | 81.4 | Confident | 83 | Confident | 50 Ų | 50 | 40.8 Ų | 40.8 | 23% | 0.234 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.2 | -47.5 | 169.8 | -67.7 | -59.6 | 102.9 | 0 | 0 | 111.4 | S112 I118 R119 G120 | S112-E116 PolarHBondContact O-N 3.39Å; E116-I118 VanDerWaalsContact C-N 3.31Å; E116-I118 PolarHBondContact O-N 3.48Å; E116-R119 PolarHBondContact O-N 3.47Å; E116-R119 IonicContact OE1-CZ 2.89Å; E116-R119 IonicContact OE1-NH1 3.56Å; E116-R119 PolarHBondContact OE1-NH1 3.46Å; E116-R119 IonicContact OE1-NH2 2.96Å; E116-R119 IonicContact OE2-CZ 3.49Å; E116-R119 IonicContact OE2-NH1 3.37Å; E116-R119 PolarHBondContact OE2-NH1 3.42Å; E116-R119 IonicContact OE2-NH2 2.73Å; E116-R119 PolarHBondContact OE2-NH2 3.44Å; E116-G120 PolarHBondContact O-N 2.99Å |
| 117 | I | 88.1 | Confident | 80.4 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -56.9 | -44.5 | 172.2 | -72.2 | 165.7 | 0 | 0 | 0 | 110.9 | V48 L64 V71 E113 R119 G120 L121 | V48-I117 HydrophobicContact CG1-CG2 4.05Å; V48-I117 HydrophobicContact CG2-CG2 3.74Å; L64-I117 HydrophobicContact CD2-CB 4.45Å; L64-I117 HydrophobicContact CD2-CG2 4.17Å; L64-I117 WeakPolarHBondContact CD2-O 3.33Å; V71-I117 HydrophobicContact CG2-CD1 4.11Å; E113-I117 VanDerWaalsContact O-CG1 3.32Å; E113-I117 WeakPolarHBondContact O-CG1 3.43Å; E113-I117 PolarHBondContact O-N 3.44Å; I117-R119 PolarHBondContact O-N 3.01Å; I117-G120 PolarHBondContact O-N 3.24Å; I117-L121 HydrophobicContact CG2-CD1 3.85Å; I117-L121 HydrophobicContact CG2-CG 4.35Å; I117-L121 WeakPolarHBondContact O-CB 3.13Å; I117-L121 VanDerWaalsContact O-CG 3.24Å; I117-L121 WeakPolarHBondContact O-CG 3.19Å; I117-L121 PolarHBondContact O-N 2.92Å |
| 118 | I | 87.3 | Confident | 77.9 | Confident | 16 Ų | 16 | 42 Ų | 42 | 8% | 0.082 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.5 | -41.1 | 178.1 | -71.7 | 165.3 | 0 | 0 | 0 | 111.4 | I8 C11 R12 L15 I114 H115 E116 Q122 | I8-I118 HydrophobicContact CD1-CG2 4.49Å; I8-I118 HydrophobicContact CG1-CG2 4.47Å; C11-I118 HydrophobicContact CB-CD1 3.73Å; C11-I118 HydrophobicContact CB-CG1 3.63Å; R12-I118 HydrophobicContact CG-CD1 4.46Å; L15-I118 HydrophobicContact CD1-CD1 3.9Å; I114-I118 HydrophobicContact CG2-CD1 4.32Å; I114-I118 VanDerWaalsContact O-CG1 3.26Å; I114-I118 WeakPolarHBondContact O-CG1 3.37Å; I114-I118 PolarHBondContact O-N 3.47Å; H115-I118 PolarHBondContact O-N 2.92Å; E116-I118 VanDerWaalsContact C-N 3.31Å; E116-I118 PolarHBondContact O-N 3.48Å; I118-Q122 VanDerWaalsContact CG2-OE1 3.31Å; I118-Q122 WeakPolarHBondContact O-CG 3.46Å; I118-Q122 PolarHBondContact O-N 3.13Å |
| 119 | R | 84.3 | Confident | 75.3 | Confident | 81 Ų | 81 | 41.3 Ų | 41.3 | 31% | 0.306 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.5 | -52.3 | 172.6 | -174.1 | 178.4 | 71 | -93.8 | 0.1 | 110.6 | H115 E116 I117 L121 Q122 L123 | H115-R119 PolarHBondContact O-N 2.88Å; E116-R119 PolarHBondContact O-N 3.47Å; E116-R119 IonicContact OE1-CZ 2.89Å; E116-R119 IonicContact OE1-NH1 3.56Å; E116-R119 PolarHBondContact OE1-NH1 3.46Å; E116-R119 IonicContact OE1-NH2 2.96Å; E116-R119 IonicContact OE2-CZ 3.49Å; E116-R119 IonicContact OE2-NH1 3.37Å; E116-R119 PolarHBondContact OE2-NH1 3.42Å; E116-R119 IonicContact OE2-NH2 2.73Å; E116-R119 PolarHBondContact OE2-NH2 3.44Å; I117-R119 PolarHBondContact O-N 3.01Å; R119-L121 PolarHBondContact O-N 3.33Å; R119-Q122 WeakPolarHBondContact O-CA 3.36Å; R119-Q122 WeakPolarHBondContact O-CB 3.42Å; R119-Q122 PolarHBondContact O-N 2.89Å; R119-L123 HydrophobicContact CG-CD2 4.24Å; R119-L123 PolarHBondContact O-N 3.3Å |
| 120 | G | 78.2 | Confident | 72.7 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.8 | -31.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | E116 I117 Q122 | E116-G120 PolarHBondContact O-N 2.99Å; I117-G120 PolarHBondContact O-N 3.24Å; G120-Q122 VanDerWaalsContact C-N 3.3Å |
| 121 | L | 85.8 | Confident | 70.2 | Confident | 7 Ų | 7 | 49 Ų | 49 | 4% | 0.037 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -72.8 | -20 | 173.5 | -72.4 | 168 | 0 | 0 | 0 | 113.8 | V4 I7 I8 V48 R51 L64 I117 R119 | V4-L121 HydrophobicContact CG1-CB 4.46Å; V4-L121 WeakPolarHBondContact CG1-O 3.43Å; V4-L121 WeakPolarHBondContact CG2-O 3.27Å; I7-L121 HydrophobicContact CB-CD1 4.13Å; I7-L121 HydrophobicContact CB-CD2 4.43Å; I7-L121 HydrophobicContact CD1-CD2 4.04Å; I7-L121 HydrophobicContact CG2-CD1 3.49Å; I7-L121 VanDerWaalsContact CG2-CD1 3.49Å; I7-L121 HydrophobicContact CG2-CD2 3.97Å; I7-L121 HydrophobicContact CG2-CG 4.41Å; I8-L121 HydrophobicContact CG1-CB 4.39Å; I8-L121 HydrophobicContact CG1-CD1 4.08Å; V48-L121 HydrophobicContact CG2-CD1 4.31Å; R51-L121 HydrophobicContact CB-CD2 4.38Å; R51-L121 HydrophobicContact CG-CD2 3.81Å; L64-L121 HydrophobicContact CD1-CD2 3.9Å; L64-L121 HydrophobicContact CD1-CG 4.42Å; L64-L121 HydrophobicContact CD2-CD2 4.33Å; L64-L121 HydrophobicContact CD2-CG 3.99Å; I117-L121 HydrophobicContact CG2-CD1 3.85Å; I117-L121 HydrophobicContact CG2-CG 4.35Å; I117-L121 WeakPolarHBondContact O-CB 3.13Å; I117-L121 VanDerWaalsContact O-CG 3.24Å; I117-L121 WeakPolarHBondContact O-CG 3.19Å; I117-L121 PolarHBondContact O-N 2.92Å; R119-L121 PolarHBondContact O-N 3.33Å |
| 122 | Q | 83 | Confident | 67.7 | Low | 102 Ų | 102 | 52.2 Ų | 52.2 | 48% | 0.477 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -96.1 | -19.5 | -177.5 | -73.2 | -176.9 | -131.9 | 0 | 0 | 113.9 | I8 I118 R119 G120 T124 | I8-Q122 HydrophobicContact CD1-CG 3.68Å; I118-Q122 VanDerWaalsContact CG2-OE1 3.31Å; I118-Q122 WeakPolarHBondContact O-CG 3.46Å; I118-Q122 PolarHBondContact O-N 3.13Å; R119-Q122 WeakPolarHBondContact O-CA 3.36Å; R119-Q122 WeakPolarHBondContact O-CB 3.42Å; R119-Q122 PolarHBondContact O-N 2.89Å; G120-Q122 VanDerWaalsContact C-N 3.3Å; Q122-T124 PolarHBondContact O-N 3.2Å |
| 123 | L | 73.8 | Confident | 65.9 | Low | 25 Ų | 25 | 50 Ų | 50 | 13% | 0.131 | 25% | 0.252 | C | S | . | . | trans | -62.2 | 125.5 | 176.2 | -57.2 | 176.7 | 0 | 0 | 0 | 110.6 | H60 R119 | H60-L123 VanDerWaalsContact CE1-CB 3.41Å; H60-L123 WeakPolarHBondContact CE1-CB 3.32Å; H60-L123 WeakPolarHBondContact ND1-CB 3.48Å; R119-L123 HydrophobicContact CG-CD2 4.24Å; R119-L123 PolarHBondContact O-N 3.3Å | ||
| 124 | T | 67.9 | Low | 64.1 | Low | 106 Ų | 106 | 52.9 Ų | 52.9 | 65% | 0.65 | 27% | 0.268 | S | S | * | . | trans | -117.1 | -20 | -172.6 | 39.7 | 0 | 0 | 0 | 0 | 115.2 | Q122 | Q122-T124 PolarHBondContact O-N 3.2Š| ||
| 125 | E | 58.9 | Low | 62.2 | Low | 113 Ų | 113 | 56.6 Ų | 56.6 | 53% | 0.528 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -117.8 | 172.2 | -175.1 | -58.2 | -164.5 | -169.3 | 0 | 0 | 111.5 | I57 H60 D127 | I57-E125 VanDerWaalsContact CD1-C 3.47Å; I57-E125 WeakPolarHBondContact CD1-O 3.47Å; H60-E125 PolarHBondContact CE1-O 3.01Å; H60-E125 VanDerWaalsContact CE1-O 3.29Å; E125-D127 PolarHBondContact O-N 3.47Å |
| 126 | T | 48.2 | Very low | 60.8 | Low | 31 Ų | 31 | 54.2 Ų | 54.2 | 19% | 0.19 | 28% | 0.278 | C | S | . | . | trans | -75.1 | 84.2 | 162.8 | 50.9 | 0 | 0 | 0 | 0 | 107.1 | I57 S128 N1068 | I57-T126 HydrophobicContact CD1-CG2 3.94Å; I57-T126 HydrophobicContact CG1-CG2 4.3Å; T126-S128 PolarHBondContact O-N 2.92Å; T126-N1068 PolarHBondContact O-ND2 3.32Å; T126-N1068 VanDerWaalsContact O-ND2 3.14Å; T126-N1068 PolarHBondContact OG1-ND2 3.23Å | ||
| 127 | D | 40.5 | Very low | 59.6 | Low | 28 Ų | 28 | 53 Ų | 53 | 15% | 0.15 | 28% | 0.276 | C | S | . | . | trans | -68.7 | 59.9 | -165.7 | -67.6 | -48.8 | 0 | 0 | 0 | 113.9 | H60 E125 S129 E130 L131 | H60-D127 IonicContact CE1-OD2 3.06Å; E125-D127 PolarHBondContact O-N 3.47Å; D127-S129 PolarHBondContact O-N 2.73Å; D127-S129 VanDerWaalsContact O-N 3.08Å; D127-E130 HydrophobicContact CB-CB 4.14Å; D127-E130 PolarHBondContact O-N 3.33Å; D127-L131 HydrophobicContact CB-CB 4.37Å; D127-L131 WeakPolarHBondContact O-CA 3.49Å; D127-L131 WeakPolarHBondContact O-CB 3.45Å; D127-L131 PolarHBondContact O-N 3.29Å | ||
| 128 | S | 40.4 | Very low | 58.4 | Low | 20 Ų | 20 | 54.2 Ų | 54.2 | 14% | 0.14 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -8.3 | 169.4 | 51.7 | 0 | 0 | 0 | 0 | 113.2 | T126 N1068 | T126-S128 PolarHBondContact O-N 2.92Å; S128-N1068 WeakPolarHBondContact CB-OD1 3.32Å; S128-N1068 VanDerWaalsContact OG-CG 3.27Å; S128-N1068 PolarHBondContact OG-ND2 3.22Å; S128-N1068 PolarHBondContact OG-OD1 3.37Å |
| 129 | S | 36.1 | Very low | 57.4 | Low | 66 Ų | 66 | 54.4 Ų | 54.4 | 46% | 0.462 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.1 | 0.2 | 173.7 | -160.4 | 0 | 0 | 0 | 0 | 115.5 | D127 D133 | D127-S129 PolarHBondContact O-N 2.73Å; D127-S129 VanDerWaalsContact O-N 3.08Å; S129-D133 VanDerWaalsContact O-CB 3.25Å; S129-D133 WeakPolarHBondContact O-CB 3.44Å |
| 130 | E | 36.8 | Very low | 56.6 | Low | 111 Ų | 111 | 55.1 Ų | 55.1 | 52% | 0.519 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.4 | -42.9 | 163.4 | -64.5 | -160.8 | 164.6 | 0 | 0 | 111.5 | D127 F132 D133 D134 | D127-E130 HydrophobicContact CB-CB 4.14Å; D127-E130 PolarHBondContact O-N 3.33Å; E130-F132 VanDerWaalsContact C-N 3.28Å; E130-F132 PolarHBondContact O-N 3.37Å; E130-D133 CarbonylContact O-C 3.23Å; E130-D133 WeakPolarHBondContact O-CA 3.35Å; E130-D133 PolarHBondContact O-N 3.05Å; E130-D134 PolarHBondContact O-N 2.93Å |
| 131 | L | 40.3 | Very low | 56.2 | Low | 67 Ų | 67 | 59.9 Ų | 59.9 | 35% | 0.351 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -22.8 | -179.8 | -154.8 | 79.4 | 0 | 0 | 0 | 113.6 | D127 R271 | D127-L131 HydrophobicContact CB-CB 4.37Å; D127-L131 WeakPolarHBondContact O-CA 3.49Å; D127-L131 WeakPolarHBondContact O-CB 3.45Å; D127-L131 PolarHBondContact O-N 3.29Å; L131-R271 PolarHBondContact O-NH2 2.94Å |
| 132 | F | 38.5 | Very low | 55.7 | Low | 99 Ų | 99 | 60.8 Ų | 60.8 | 43% | 0.434 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -2.5 | 168.8 | -69.9 | -104.5 | 0 | 0 | 0 | 112 | E130 R271 V453 | E130-F132 VanDerWaalsContact C-N 3.28Å; E130-F132 PolarHBondContact O-N 3.37Å; F132-R271 VanDerWaalsContact CA-NH2 3.33Å; F132-R271 PolarHBondContact O-NH2 2.76Å; F132-V453 HydrophobicContact CD1-CG2 4.21Å; F132-V453 HydrophobicContact CE1-CG2 3.74Å; F132-V453 HydrophobicContact CZ-CG2 4.31Å |
| 133 | D | 48.3 | Very low | 55.7 | Low | 18 Ų | 18 | 57 Ų | 57 | 10% | 0.096 | 30% | 0.304 | C | S | . | . | trans | -113.6 | 32.9 | -175.7 | -139.7 | -11.9 | 0 | 0 | 0 | 113.2 | S129 E130 D135 L136 A137 R268 | S129-D133 VanDerWaalsContact O-CB 3.25Å; S129-D133 WeakPolarHBondContact O-CB 3.44Å; E130-D133 CarbonylContact O-C 3.23Å; E130-D133 WeakPolarHBondContact O-CA 3.35Å; E130-D133 PolarHBondContact O-N 3.05Å; D133-D135 PolarHBondContact O-N 3.16Å; D133-L136 HydrophobicContact CB-CB 4.19Å; D133-L136 CarbonylContact O-C 3.43Å; D133-L136 WeakPolarHBondContact O-CA 3.39Å; D133-L136 PolarHBondContact O-N 2.95Å; D133-L136 WeakPolarHBondContact OD1-CB 3.45Å; D133-L136 PolarHBondContact OD1-N 3.2Å; D133-A137 WeakPolarHBondContact O-CB 3.43Å; D133-A137 PolarHBondContact O-N 2.61Å; D133-R268 IonicContact OD1-NH1 2.73Å; D133-R268 PolarHBondContact OD1-NH1 2.93Å; D133-R268 IonicContact OD2-CZ 2.73Å; D133-R268 IonicContact OD2-NH1 3.37Å; D133-R268 PolarHBondContact OD2-NH1 3.23Å; D133-R268 IonicContact OD2-NH2 3.31Å; D133-R268 PolarHBondContact OD2-NH2 2.86Å | ||
| 134 | D | 48.4 | Very low | 55.9 | Low | 66 Ų | 66 | 58.5 Ų | 58.5 | 35% | 0.353 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -54.6 | -19.7 | 167 | -66.9 | -81.4 | 0 | 0 | 0 | 112.6 | E130 A138 R271 | E130-D134 PolarHBondContact O-N 2.93Å; D134-A138 VanDerWaalsContact O-CA 3.28Å; D134-A138 WeakPolarHBondContact O-CA 3.45Å; D134-A138 WeakPolarHBondContact O-CB 3.3Å; D134-A138 PolarHBondContact O-N 2.88Å; D134-R271 IonicContact OD2-CZ 3.56Å; D134-R271 IonicContact OD2-NH1 2.73Å; D134-R271 PolarHBondContact OD2-NH1 2.97Å; D134-R271 IonicContact OD2-NH2 2.61Å; D134-R271 PolarHBondContact OD2-NH2 2.81Å |
| 135 | D | 53.2 | Low | 56.4 | Low | 78 Ų | 78 | 54.7 Ų | 54.7 | 42% | 0.417 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -70.1 | -42.2 | 169.4 | -68.1 | -48.1 | 0 | 0 | 0 | 111.8 | D133 M139 L186 | D133-D135 PolarHBondContact O-N 3.16Å; D135-M139 WeakPolarHBondContact O-CB 3.08Å; D135-M139 PolarHBondContact O-N 3.07Å; D135-L186 WeakPolarHBondContact OD1-CD2 3.33Å |
| 136 | L | 57.4 | Low | 57.8 | Low | 53 Ų | 53 | 49.3 Ų | 49.3 | 28% | 0.277 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -76.2 | -41.6 | 172 | -176.5 | 60.5 | 0 | 0 | 0 | 113 | D133 M139 H140 | D133-L136 HydrophobicContact CB-CB 4.19Å; D133-L136 CarbonylContact O-C 3.43Å; D133-L136 WeakPolarHBondContact O-CA 3.39Å; D133-L136 PolarHBondContact O-N 2.95Å; D133-L136 WeakPolarHBondContact OD1-CB 3.45Å; D133-L136 PolarHBondContact OD1-N 3.2Å; L136-M139 HydrophobicContact CD1-CE 3.95Å; L136-M139 CarbonylContact O-C 3.58Å; L136-M139 WeakPolarHBondContact O-CB 3.42Å; L136-M139 PolarHBondContact O-N 3.21Å; L136-H140 WeakPolarHBondContact O-CB 3.14Å; L136-H140 PolarHBondContact O-CD2 3.13Å; L136-H140 PolarHBondContact O-N 3.38Å |
| 137 | A | 56.4 | Low | 59.6 | Low | 23 Ų | 23 | 51.1 Ų | 51.1 | 19% | 0.19 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -72.7 | -40.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | D133 M139 H140 M141 | D133-A137 WeakPolarHBondContact O-CB 3.43Å; D133-A137 PolarHBondContact O-N 2.61Å; A137-M139 VanDerWaalsContact C-N 3.34Å; A137-H140 PolarHBondContact O-N 3.28Å; A137-M141 WeakPolarHBondContact O-CB 2.98Å; A137-M141 VanDerWaalsContact O-CG 3.27Å; A137-M141 WeakPolarHBondContact O-CG 3.46Å; A137-M141 PolarHBondContact O-N 3.35Å |
| 138 | A | 62.1 | Low | 61.8 | Low | 27 Ų | 27 | 54 Ų | 54 | 22% | 0.223 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -73.1 | -25.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | D134 N142 L186 | D134-A138 VanDerWaalsContact O-CA 3.28Å; D134-A138 WeakPolarHBondContact O-CA 3.45Å; D134-A138 WeakPolarHBondContact O-CB 3.3Å; D134-A138 PolarHBondContact O-N 2.88Å; A138-N142 WeakPolarHBondContact O-CB 3.49Å; A138-N142 PolarHBondContact O-N 3.29Å; A138-N142 PolarHBondContact O-ND2 3.45Å; A138-L186 HydrophobicContact CB-CD1 4.11Å |
| 139 | M | 67.6 | Low | 64 | Low | 20 Ų | 20 | 57.5 Ų | 57.5 | 10% | 0.099 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.6 | -45.3 | 166.7 | 171.5 | 157 | 45.5 | 0 | 0 | 110.7 | D135 L136 A137 K143 L183 L186 N187 | D135-M139 WeakPolarHBondContact O-CB 3.08Å; D135-M139 PolarHBondContact O-N 3.07Å; L136-M139 HydrophobicContact CD1-CE 3.95Å; L136-M139 CarbonylContact O-C 3.58Å; L136-M139 WeakPolarHBondContact O-CB 3.42Å; L136-M139 PolarHBondContact O-N 3.21Å; A137-M139 VanDerWaalsContact C-N 3.34Å; M139-K143 WeakPolarHBondContact O-CB 3.05Å; M139-K143 PolarHBondContact O-N 3.03Å; M139-L183 HydrophobicContact CG-CD1 3.84Å; M139-L183 HydrophobicContact CG-CG 4.35Å; M139-L183 VanDerWaalsContact O-CD1 3.3Å; M139-L183 WeakPolarHBondContact O-CD1 3.3Å; M139-L186 HydrophobicContact CB-CD1 4.08Å; M139-N187 PolarHBondContact SD-ND2 3.27Å; M139-N187 VanDerWaalsContact SD-ND2 3.37Å |
| 140 | H | 66.2 | Low | 66.5 | Low | 96 Ų | 96 | 55.6 Ų | 55.6 | 44% | 0.444 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.1 | -40.5 | 174.2 | -72.5 | -39.5 | 0 | 0 | 0 | 112.8 | L136 A137 K143 A144 | L136-H140 WeakPolarHBondContact O-CB 3.14Å; L136-H140 PolarHBondContact O-CD2 3.13Å; L136-H140 PolarHBondContact O-N 3.38Å; A137-H140 PolarHBondContact O-N 3.28Å; H140-K143 PolarHBondContact O-N 3.19Å; H140-A144 VanDerWaalsContact O-CB 3.26Å; H140-A144 WeakPolarHBondContact O-CB 3.25Å; H140-A144 PolarHBondContact O-N 3.08Å |
| 141 | M | 69.7 | Low | 68.9 | Low | 102 Ų | 102 | 56 Ų | 56 | 50% | 0.502 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -68.6 | -43.6 | 175.6 | -71.2 | -171.8 | -156.9 | 0 | 0 | 111.9 | A137 K143 A144 A145 | A137-M141 WeakPolarHBondContact O-CB 2.98Å; A137-M141 VanDerWaalsContact O-CG 3.27Å; A137-M141 WeakPolarHBondContact O-CG 3.46Å; A137-M141 PolarHBondContact O-N 3.35Å; M141-K143 VanDerWaalsContact C-N 3.32Å; M141-A144 PolarHBondContact O-N 3.34Å; M141-A145 WeakPolarHBondContact O-CB 3.43Å; M141-A145 PolarHBondContact O-N 3.11Å |
| 142 | N | 76.9 | Confident | 71.2 | Confident | 26 Ų | 26 | 57 Ų | 57 | 14% | 0.139 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.3 | -35.7 | 173.7 | -78.3 | -75.4 | 0 | 0 | 0 | 110.9 | A138 F146 N182 L183 | A138-N142 WeakPolarHBondContact O-CB 3.49Å; A138-N142 PolarHBondContact O-N 3.29Å; A138-N142 PolarHBondContact O-ND2 3.45Å; N142-F146 WeakPolarHBondContact O-CB 3.24Å; N142-F146 PolarHBondContact O-N 3.49Å; N142-N182 HydrophobicContact CB-CB 4.46Å; N142-N182 VanDerWaalsContact OD1-CB 3.24Å; N142-N182 WeakPolarHBondContact OD1-CB 3.41Å; N142-N182 PolarHBondContact OD1-ND2 3.27Å; N142-L183 HydrophobicContact CB-CB 4.33Å; N142-L183 HydrophobicContact CB-CD1 4.43Å |
| 143 | K | 81.5 | Confident | 73.6 | Confident | 22 Ų | 22 | 52.3 Ų | 52.3 | 10% | 0.096 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.9 | -41.5 | 173.6 | -172.5 | 63.2 | 173.7 | 69.4 | 0 | 112 | M139 H140 M141 F146 D147 L183 C242 | M139-K143 WeakPolarHBondContact O-CB 3.05Å; M139-K143 PolarHBondContact O-N 3.03Å; H140-K143 PolarHBondContact O-N 3.19Å; M141-K143 VanDerWaalsContact C-N 3.32Å; K143-F146 WeakPolarHBondContact O-CB 3.41Å; K143-F146 PolarHBondContact O-N 3.46Å; K143-D147 IonicContact NZ-OD1 3.24Å; K143-D147 PolarHBondContact NZ-OD1 3.01Å; K143-D147 IonicContact NZ-OD2 3.57Å; K143-D147 PolarHBondContact NZ-OD2 2.94Å; K143-D147 WeakPolarHBondContact O-CB 3.36Å; K143-D147 PolarHBondContact O-N 3.1Å; K143-L183 HydrophobicContact CB-CD1 3.78Å; K143-L183 HydrophobicContact CD-CD1 4.26Å; K143-C242 HydrophobicContact CD-CB 4.3Å; K143-C242 WeakPolarHBondContact CE-O 3.47Å |
| 144 | A | 78.6 | Confident | 75.6 | Confident | 56 Ų | 56 | 52.4 Ų | 52.4 | 46% | 0.463 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -70.4 | -38.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | H140 M141 F146 D147 S148 | H140-A144 VanDerWaalsContact O-CB 3.26Å; H140-A144 WeakPolarHBondContact O-CB 3.25Å; H140-A144 PolarHBondContact O-N 3.08Å; M141-A144 PolarHBondContact O-N 3.34Å; A144-F146 VanDerWaalsContact C-N 3.33Å; A144-D147 PolarHBondContact O-N 3.01Å; A144-S148 WeakPolarHBondContact O-CB 3.31Å; A144-S148 PolarHBondContact O-N 3.38Å; A144-S148 PolarHBondContact O-OG 3.08Å |
| 145 | A | 79.3 | Confident | 77.4 | Confident | 26 Ų | 26 | 53.2 Ų | 53.2 | 22% | 0.215 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.8 | -34.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | M141 S148 | M141-A145 WeakPolarHBondContact O-CB 3.43Å; M141-A145 PolarHBondContact O-N 3.11Å; A145-S148 PolarHBondContact O-OG 2.92Å |
| 146 | F | 88.1 | Confident | 79 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 0% | 0.004 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.6 | -57.9 | 169.3 | 174.8 | -87.8 | 0 | 0 | 0 | 110.7 | N142 K143 A144 S148 R149 L150 V176 A180 L238 C242 | N142-F146 WeakPolarHBondContact O-CB 3.24Å; N142-F146 PolarHBondContact O-N 3.49Å; K143-F146 WeakPolarHBondContact O-CB 3.41Å; K143-F146 PolarHBondContact O-N 3.46Å; A144-F146 VanDerWaalsContact C-N 3.33Å; F146-S148 PolarHBondContact O-N 3.17Å; F146-R149 PolarHBondContact O-N 2.9Å; F146-L150 HydrophobicContact CE1-CD1 3.97Å; F146-L150 HydrophobicContact CE1-CD2 3.96Å; F146-L150 HydrophobicContact CE1-CG 4.45Å; F146-L150 HydrophobicContact CE2-CD1 4.43Å; F146-L150 HydrophobicContact CZ-CD1 3.78Å; F146-L150 WeakPolarHBondContact O-CB 3.26Å; F146-L150 PolarHBondContact O-N 2.79Å; F146-V176 HydrophobicContact CD2-CG1 3.57Å; F146-V176 HydrophobicContact CE2-CG1 3.53Å; F146-V176 HydrophobicContact CG-CG1 4.47Å; F146-V176 HydrophobicContact CZ-CG1 4.41Å; F146-A180 HydrophobicContact CD2-CB 3.89Å; F146-A180 HydrophobicContact CE2-CB 3.95Å; F146-L238 HydrophobicContact CE2-CD2 3.78Å; F146-L238 HydrophobicContact CE2-CG 3.89Å; F146-L238 HydrophobicContact CZ-CD2 4.36Å; F146-L238 HydrophobicContact CZ-CG 4.1Å; F146-C242 HydrophobicContact CE1-CB 4.29Å; F146-C242 HydrophobicContact CZ-CB 4.38Å |
| 147 | D | 86.3 | Confident | 80.4 | Confident | 69 Ų | 69 | 47.2 Ų | 47.2 | 37% | 0.369 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.5 | -43.9 | -175.3 | -72.4 | -22.3 | 0 | 0 | 0 | 112.7 | K143 A144 R149 L150 | K143-D147 IonicContact NZ-OD1 3.24Å; K143-D147 PolarHBondContact NZ-OD1 3.01Å; K143-D147 IonicContact NZ-OD2 3.57Å; K143-D147 PolarHBondContact NZ-OD2 2.94Å; K143-D147 WeakPolarHBondContact O-CB 3.36Å; K143-D147 PolarHBondContact O-N 3.1Å; A144-D147 PolarHBondContact O-N 3.01Å; D147-R149 PolarHBondContact O-N 3.26Å; D147-L150 WeakPolarHBondContact O-CB 3.19Å; D147-L150 PolarHBondContact O-N 3.4Å |
| 148 | S | 85.1 | Confident | 81.7 | Confident | 89 Ų | 89 | 50.1 Ų | 50.1 | 62% | 0.622 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -64.3 | -22.5 | -179.5 | 57 | 0 | 0 | 0 | 0 | 114 | A144 A145 F146 | A144-S148 WeakPolarHBondContact O-CB 3.31Å; A144-S148 PolarHBondContact O-N 3.38Å; A144-S148 PolarHBondContact O-OG 3.08Å; A145-S148 PolarHBondContact O-OG 2.92Å; F146-S148 PolarHBondContact O-N 3.17Å |
| 149 | R | 86.6 | Confident | 82.4 | Confident | 92 Ų | 92 | 50.4 Ų | 50.4 | 35% | 0.347 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -103 | -19.2 | 177.4 | -67 | 174.6 | 173.5 | 146.4 | -3.6 | 113 | F146 D147 Q151 F152 V153 Q175 V176 | F146-R149 PolarHBondContact O-N 2.9Å; D147-R149 PolarHBondContact O-N 3.26Å; R149-Q151 VanDerWaalsContact C-N 3.33Å; R149-Q151 PolarHBondContact O-N 2.91Å; R149-F152 PolarHBondContact O-N 2.96Å; R149-V153 WeakPolarHBondContact O-CG2 3.35Å; R149-V153 PolarHBondContact O-N 3.46Å; R149-V153 VanDerWaalsContact O-N 3.09Å; R149-Q175 VanDerWaalsContact CZ-OE1 3.23Å; R149-V176 HydrophobicContact CB-CG2 3.43Å; R149-V176 VanDerWaalsContact CB-CG2 3.43Å |
| 150 | L | 89.2 | Confident | 82.5 | Confident | 27 Ų | 27 | 51.5 Ų | 51.5 | 14% | 0.141 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -55.6 | -42.4 | -177.3 | -172.2 | 69.2 | 0 | 0 | 0 | 113.1 | F146 D147 S154 V176 L235 S239 | F146-L150 HydrophobicContact CE1-CD1 3.97Å; F146-L150 HydrophobicContact CE1-CD2 3.96Å; F146-L150 HydrophobicContact CE1-CG 4.45Å; F146-L150 HydrophobicContact CE2-CD1 4.43Å; F146-L150 HydrophobicContact CZ-CD1 3.78Å; F146-L150 WeakPolarHBondContact O-CB 3.26Å; F146-L150 PolarHBondContact O-N 2.79Å; D147-L150 WeakPolarHBondContact O-CB 3.19Å; D147-L150 PolarHBondContact O-N 3.4Å; L150-S154 WeakPolarHBondContact O-CB 3.48Å; L150-S154 PolarHBondContact O-N 2.81Å; L150-S154 PolarHBondContact O-OG 3.39Å; L150-V176 HydrophobicContact CD1-CG1 4.43Å; L150-L235 HydrophobicContact CD1-CD1 3.7Å; L150-L235 HydrophobicContact CD1-CD2 4.08Å; L150-L235 HydrophobicContact CD1-CG 3.67Å; L150-S239 WeakPolarHBondContact CD2-OG 3.31Å |
| 151 | Q | 87.6 | Confident | 82.6 | Confident | 120 Ų | 120 | 53 Ų | 53 | 56% | 0.561 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -65.9 | -49.9 | 179.5 | -172.8 | 61.2 | 50.6 | 0 | 0 | 111.2 | R149 V153 S154 D155 | R149-Q151 VanDerWaalsContact C-N 3.33Å; R149-Q151 PolarHBondContact O-N 2.91Å; Q151-V153 VanDerWaalsContact C-N 3.27Å; Q151-V153 PolarHBondContact O-N 2.83Å; Q151-S154 CarbonylContact O-C 3.51Å; Q151-S154 WeakPolarHBondContact O-CA 3.37Å; Q151-S154 WeakPolarHBondContact O-CB 3.49Å; Q151-S154 PolarHBondContact O-N 3.4Å; Q151-D155 PolarHBondContact NE2-OD1 3.17Å; Q151-D155 PolarHBondContact O-N 3.38Å |
| 152 | F | 87.4 | Confident | 82.3 | Confident | 87 Ų | 87 | 49.7 Ų | 49.7 | 38% | 0.382 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58.3 | -38.6 | 179 | -179.5 | -90.3 | 0 | 0 | 0 | 112.5 | R149 W156 V164 A168 A172 | R149-F152 PolarHBondContact O-N 2.96Å; F152-W156 WeakPolarHBondContact O-CB 3.33Å; F152-W156 PolarHBondContact O-N 3.18Å; F152-V164 HydrophobicContact CE1-CG1 4.37Å; F152-V164 HydrophobicContact CE2-CG1 4.19Å; F152-V164 HydrophobicContact CZ-CG1 3.63Å; F152-A168 HydrophobicContact CZ-CB 4.35Å; F152-A172 HydrophobicContact CD1-CB 3.52Å; F152-A172 HydrophobicContact CE1-CB 3.7Å |
| 153 | V | 89.3 | Confident | 81.4 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.7 | -40.3 | 174.2 | 175.3 | 0 | 0 | 0 | 0 | 111.3 | R149 Q151 W156 I157 A172 L173 V176 L235 | R149-V153 WeakPolarHBondContact O-CG2 3.35Å; R149-V153 PolarHBondContact O-N 3.46Å; R149-V153 VanDerWaalsContact O-N 3.09Å; Q151-V153 VanDerWaalsContact C-N 3.27Å; Q151-V153 PolarHBondContact O-N 2.83Å; V153-W156 PolarHBondContact O-N 3.48Å; V153-I157 HydrophobicContact CG1-CD1 3.9Å; V153-I157 WeakPolarHBondContact O-CD1 3.23Å; V153-I157 VanDerWaalsContact O-CG1 3.24Å; V153-I157 WeakPolarHBondContact O-CG1 3.45Å; V153-I157 PolarHBondContact O-N 2.86Å; V153-A172 VanDerWaalsContact CG2-C 3.5Å; V153-A172 HydrophobicContact CG2-CB 3.74Å; V153-L173 HydrophobicContact CG1-CB 4.14Å; V153-L173 HydrophobicContact CG1-CD1 3.74Å; V153-L173 HydrophobicContact CG2-CB 4.38Å; V153-V176 HydrophobicContact CG2-CG2 3.92Å; V153-L235 HydrophobicContact CB-CD2 4.36Å; V153-L235 HydrophobicContact CG1-CD2 3.76Å |
| 154 | S | 89.7 | Confident | 80.4 | Confident | 21 Ų | 21 | 54.4 Ų | 54.4 | 15% | 0.147 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.3 | -40.1 | 176.2 | -56.7 | 0 | 0 | 0 | 0 | 112.2 | L150 Q151 I157 S158 | L150-S154 WeakPolarHBondContact O-CB 3.48Å; L150-S154 PolarHBondContact O-N 2.81Å; L150-S154 PolarHBondContact O-OG 3.39Å; Q151-S154 CarbonylContact O-C 3.51Å; Q151-S154 WeakPolarHBondContact O-CA 3.37Å; Q151-S154 WeakPolarHBondContact O-CB 3.49Å; Q151-S154 PolarHBondContact O-N 3.4Å; S154-I157 PolarHBondContact O-N 3.49Å; S154-S158 WeakPolarHBondContact O-CB 3.44Å; S154-S158 PolarHBondContact O-N 3.03Å; S154-S158 PolarHBondContact O-OG 3.02Å |
| 155 | D | 86.4 | Confident | 79.7 | Confident | 82 Ų | 82 | 54.6 Ų | 54.6 | 44% | 0.439 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.6 | -44 | 175.7 | -60.2 | -26.1 | 0 | 0 | 0 | 110.7 | Q151 I157 S158 D159 | Q151-D155 PolarHBondContact NE2-OD1 3.17Å; Q151-D155 PolarHBondContact O-N 3.38Å; D155-I157 PolarHBondContact O-N 2.86Å; D155-S158 CarbonylContact O-C 3.51Å; D155-S158 WeakPolarHBondContact O-CB 3.46Å; D155-S158 PolarHBondContact O-N 2.86Å; D155-S158 VanDerWaalsContact O-N 3.07Å; D155-D159 PolarHBondContact O-N 3.02Å |
| 156 | W | 87.9 | Confident | 79.3 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 0% | 0.004 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.6 | -29.6 | 176.4 | 177 | 82 | 0 | 0 | 0 | 113.9 | F152 V153 S158 I211 R214 | F152-W156 WeakPolarHBondContact O-CB 3.33Å; F152-W156 PolarHBondContact O-N 3.18Å; V153-W156 PolarHBondContact O-N 3.48Å; W156-S158 VanDerWaalsContact C-N 3.34Å; W156-I211 HydrophobicContact CH2-CD1 4.11Å; W156-I211 HydrophobicContact CH2-CG1 3.75Å; W156-I211 HydrophobicContact CZ2-CG1 4.22Å; W156-R214 VanDerWaalsContact O-CZ 3.32Å; W156-R214 PolarHBondContact O-NH1 3Å; W156-R214 PolarHBondContact O-NH2 2.96Å |
| 157 | I | 86.7 | Confident | 78.6 | Confident | 5 Ų | 5 | 59.6 Ų | 59.6 | 3% | 0.026 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -67.7 | -39.4 | 169 | -71.6 | 161.2 | 0 | 0 | 0 | 110 | V153 S154 D155 R214 A228 L231 L235 | V153-I157 HydrophobicContact CG1-CD1 3.9Å; V153-I157 WeakPolarHBondContact O-CD1 3.23Å; V153-I157 VanDerWaalsContact O-CG1 3.24Å; V153-I157 WeakPolarHBondContact O-CG1 3.45Å; V153-I157 PolarHBondContact O-N 2.86Å; S154-I157 PolarHBondContact O-N 3.49Å; D155-I157 PolarHBondContact O-N 2.86Å; I157-R214 PolarHBondContact O-NH2 3.01Å; I157-A228 HydrophobicContact CG2-CB 3.98Å; I157-A228 WeakPolarHBondContact CG2-O 3.49Å; I157-L231 HydrophobicContact CD1-CB 4.03Å; I157-L231 HydrophobicContact CG1-CB 4.39Å; I157-L231 HydrophobicContact CG2-CB 4.15Å; I157-L235 HydrophobicContact CD1-CD2 3.79Å |
| 158 | S | 83.7 | Confident | 78.3 | Confident | 83 Ų | 83 | 58.2 Ų | 58.2 | 58% | 0.58 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -75.8 | -28.6 | -176.9 | -55.1 | 0 | 0 | 0 | 0 | 114 | S154 D155 W156 S160 | S154-S158 WeakPolarHBondContact O-CB 3.44Å; S154-S158 PolarHBondContact O-N 3.03Å; S154-S158 PolarHBondContact O-OG 3.02Å; D155-S158 CarbonylContact O-C 3.51Å; D155-S158 WeakPolarHBondContact O-CB 3.46Å; D155-S158 PolarHBondContact O-N 2.86Å; D155-S158 VanDerWaalsContact O-N 3.07Å; W156-S158 VanDerWaalsContact C-N 3.34Å; S158-S160 PolarHBondContact O-N 3.38Å; S158-S160 VanDerWaalsContact O-N 3.13Å |
| 159 | D | 77 | Confident | 78.1 | Confident | 33 Ų | 33 | 54 Ų | 54 | 18% | 0.176 | 31% | 0.314 | C | S | . | . | trans | -75.1 | 95.9 | 177.9 | 179.5 | 8 | 0 | 0 | 0 | 112.2 | D155 N161 C162 S163 V164 R214 | D155-D159 PolarHBondContact O-N 3.02Å; D159-N161 PolarHBondContact O-N 3.37Å; D159-N161 PolarHBondContact OD1-N 2.76Å; D159-C162 PolarHBondContact OD1-N 3.4Å; D159-C162 VanDerWaalsContact OD1-N 3.12Å; D159-C162 WeakPolarHBondContact OD2-CA 3.38Å; D159-C162 PolarHBondContact OD2-N 3.31Å; D159-S163 WeakPolarHBondContact OD2-CA 3.38Å; D159-S163 WeakPolarHBondContact OD2-CB 3.4Å; D159-S163 PolarHBondContact OD2-N 2.94Å; D159-S163 PolarHBondContact OD2-OG 2.81Å; D159-V164 PolarHBondContact OD2-N 3.35Å; D159-R214 PolarHBondContact O-NH2 2.87Å | ||
| 160 | S | 69.7 | Low | 77.9 | Confident | 43 Ų | 43 | 51.2 Ų | 51.2 | 30% | 0.301 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -29 | 176.4 | -36.3 | 0 | 0 | 0 | 0 | 113.4 | S158 N220 | S158-S160 PolarHBondContact O-N 3.38Å; S158-S160 VanDerWaalsContact O-N 3.13Å; S160-N220 WeakPolarHBondContact CB-OD1 3.28Å; S160-N220 PolarHBondContact O-OD1 3.49Å; S160-N220 VanDerWaalsContact O-OD1 3.08Å |
| 161 | N | 66.8 | Low | 77.7 | Confident | 127 Ų | 127 | 56.9 Ų | 56.9 | 68% | 0.679 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -3.9 | -172.4 | -74.9 | -31.5 | 0 | 0 | 0 | 114.3 | D159 S163 N220 | D159-N161 PolarHBondContact O-N 3.37Å; D159-N161 PolarHBondContact OD1-N 2.76Å; N161-S163 PolarHBondContact O-N 3.03Å; N161-N220 PolarHBondContact OD1-ND2 3.49Å |
| 162 | C | 63.4 | Low | 77.6 | Confident | 33 Ų | 33 | 51.6 Ų | 51.6 | 22% | 0.223 | 30% | 0.304 | C | S | . | . | trans | 51.1 | 50.4 | -178.3 | -68.8 | 0 | 0 | 0 | 0 | 114.4 | D159 V164 M166 R214 | D159-C162 PolarHBondContact OD1-N 3.4Å; D159-C162 VanDerWaalsContact OD1-N 3.12Å; D159-C162 WeakPolarHBondContact OD2-CA 3.38Å; D159-C162 PolarHBondContact OD2-N 3.31Å; C162-V164 PolarHBondContact O-N 2.97Å; C162-M166 HydrophobicContact CB-CG 4.33Å; C162-R214 VanDerWaalsContact SG-CD 3.58Å | ||
| 163 | S | 59.9 | Low | 77.7 | Confident | 104 Ų | 104 | 47.6 Ų | 47.6 | 73% | 0.727 | 29% | 0.287 | S | S | * | . | trans | -58.4 | -34.4 | 164.1 | 68.3 | 0 | 0 | 0 | 0 | 112 | D159 N161 | D159-S163 WeakPolarHBondContact OD2-CA 3.38Å; D159-S163 WeakPolarHBondContact OD2-CB 3.4Å; D159-S163 PolarHBondContact OD2-N 2.94Å; D159-S163 PolarHBondContact OD2-OG 2.81Å; N161-S163 PolarHBondContact O-N 3.03Å | ||
| 164 | V | 58.9 | Low | 77.7 | Confident | 44 Ų | 44 | 50.3 Ų | 50.3 | 27% | 0.267 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -83.5 | 124.5 | 166.6 | 176.9 | 0 | 0 | 0 | 0 | 109.2 | F152 D159 C162 M166 A168 | F152-V164 HydrophobicContact CE1-CG1 4.37Å; F152-V164 HydrophobicContact CE2-CG1 4.19Å; F152-V164 HydrophobicContact CZ-CG1 3.63Å; D159-V164 PolarHBondContact OD2-N 3.35Å; C162-V164 PolarHBondContact O-N 2.97Å; V164-M166 PolarHBondContact O-N 3.1Å; V164-A168 HydrophobicContact CG1-CB 4.36Å |
| 165 | A | 64.4 | Low | 77.6 | Confident | 60 Ų | 60 | 53.1 Ų | 53.1 | 50% | 0.496 | 31% | 0.313 | S | S | . | . | trans | -51.5 | 129.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112 | T167 A168 G169 | A165-T167 PolarHBondContact O-N 3.49Å; A165-T167 VanDerWaalsContact O-N 3.1Å; A165-A168 WeakPolarHBondContact O-CB 3.47Å; A165-A168 PolarHBondContact O-N 3.29Å; A165-G169 PolarHBondContact O-N 3.43Å | ||
| 166 | M | 70.5 | Confident | 77.8 | Confident | 43 Ų | 43 | 49.2 Ų | 49.2 | 21% | 0.212 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -51.4 | -41.5 | -172.3 | -67.6 | -168.2 | 66.8 | 0 | 0 | 113.7 | C162 V164 A168 G169 E170 I211 R214 R215 | C162-M166 HydrophobicContact CB-CG 4.33Å; V164-M166 PolarHBondContact O-N 3.1Å; M166-A168 VanDerWaalsContact C-N 3.3Å; M166-A168 PolarHBondContact O-N 3.31Å; M166-G169 PolarHBondContact O-N 2.86Å; M166-E170 VanDerWaalsContact O-CB 3.32Å; M166-E170 WeakPolarHBondContact O-CB 3.16Å; M166-E170 PolarHBondContact O-N 3.4Å; M166-I211 HydrophobicContact CE-CG2 4.18Å; M166-R214 HydrophobicContact CE-CB 3.35Å; M166-R214 HydrophobicContact CE-CG 4.45Å; M166-R214 HydrophobicContact SD-CB 4.11Å; M166-R215 HydrophobicContact CE-CG 3.73Å; M166-R215 HydrophobicContact SD-CG 4.05Å |
| 167 | T | 75 | Confident | 78 | Confident | 89 Ų | 89 | 49.4 Ų | 49.4 | 55% | 0.546 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -68.7 | -23.9 | -179.3 | 50.8 | 0 | 0 | 0 | 0 | 113.7 | A165 K171 | A165-T167 PolarHBondContact O-N 3.49Å; A165-T167 VanDerWaalsContact O-N 3.1Å; T167-K171 WeakPolarHBondContact O-CB 3.47Å; T167-K171 VanDerWaalsContact O-CG 3.28Å; T167-K171 WeakPolarHBondContact O-CG 3.46Å; T167-K171 PolarHBondContact O-N 3.3Å; T167-K171 VanDerWaalsContact O-N 3.1Å |
| 168 | A | 78.3 | Confident | 78.1 | Confident | 40 Ų | 40 | 53.7 Ų | 53.7 | 33% | 0.331 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -75 | -45.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | F152 V164 A165 M166 K171 A172 | F152-A168 HydrophobicContact CZ-CB 4.35Å; V164-A168 HydrophobicContact CG1-CB 4.36Å; A165-A168 WeakPolarHBondContact O-CB 3.47Å; A165-A168 PolarHBondContact O-N 3.29Å; M166-A168 VanDerWaalsContact C-N 3.3Å; M166-A168 PolarHBondContact O-N 3.31Å; A168-K171 PolarHBondContact O-N 3.31Å; A168-A172 WeakPolarHBondContact O-CB 3.14Å; A168-A172 PolarHBondContact O-N 2.76Å |
| 169 | G | 81.5 | Confident | 78.2 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.5 | -41.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | A165 M166 A172 L173 | A165-G169 PolarHBondContact O-N 3.43Å; M166-G169 PolarHBondContact O-N 2.86Å; G169-A172 PolarHBondContact O-N 3.49Å; G169-L173 WeakPolarHBondContact O-CB 3.41Å; G169-L173 PolarHBondContact O-N 2.94Å |
| 170 | E | 83.5 | Confident | 78.8 | Confident | 34 Ų | 34 | 48.6 Ų | 48.6 | 16% | 0.159 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.7 | -43.9 | 173.4 | -178.3 | 172.5 | -174.7 | 0 | 0 | 112 | M166 N174 I211 R215 | M166-E170 VanDerWaalsContact O-CB 3.32Å; M166-E170 WeakPolarHBondContact O-CB 3.16Å; M166-E170 PolarHBondContact O-N 3.4Å; E170-N174 PolarHBondContact O-N 2.89Å; E170-N174 PolarHBondContact O-ND2 3.07Å; E170-I211 HydrophobicContact CB-CD1 4.06Å; E170-I211 HydrophobicContact CG-CD1 3.74Å; E170-R215 IonicContact OE1-NH2 3.71Å; E170-R215 PolarHBondContact OE1-NH2 3.44Å; E170-R215 IonicContact OE2-CZ 3.51Å; E170-R215 IonicContact OE2-NH2 2.64Å; E170-R215 PolarHBondContact OE2-NH2 3.12Å |
| 171 | K | 83.1 | Confident | 79.7 | Confident | 146 Ų | 146 | 49.3 Ų | 49.3 | 64% | 0.635 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -64.1 | -45.4 | 172.5 | -79.8 | 179.7 | 175.6 | -171.9 | 0 | 112.4 | T167 A168 N174 Q175 | T167-K171 WeakPolarHBondContact O-CB 3.47Å; T167-K171 VanDerWaalsContact O-CG 3.28Å; T167-K171 WeakPolarHBondContact O-CG 3.46Å; T167-K171 PolarHBondContact O-N 3.3Å; T167-K171 VanDerWaalsContact O-N 3.1Å; A168-K171 PolarHBondContact O-N 3.31Å; K171-N174 PolarHBondContact O-N 2.75Å; K171-Q175 VanDerWaalsContact O-CG 3.3Å; K171-Q175 WeakPolarHBondContact O-CG 3.43Å; K171-Q175 PolarHBondContact O-N 3.31Å |
| 172 | A | 86.5 | Confident | 80.4 | Confident | 8 Ų | 8 | 46.7 Ų | 46.7 | 7% | 0.066 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.7 | -39.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | F152 V153 A168 G169 Q175 V176 | F152-A172 HydrophobicContact CD1-CB 3.52Å; F152-A172 HydrophobicContact CE1-CB 3.7Å; V153-A172 VanDerWaalsContact CG2-C 3.5Å; V153-A172 HydrophobicContact CG2-CB 3.74Å; A168-A172 WeakPolarHBondContact O-CB 3.14Å; A168-A172 PolarHBondContact O-N 2.76Å; G169-A172 PolarHBondContact O-N 3.49Å; A172-Q175 PolarHBondContact O-N 2.9Å; A172-V176 WeakPolarHBondContact O-CG2 3.26Å; A172-V176 PolarHBondContact O-N 3.07Å |
| 173 | L | 90.2 | Very high | 81.3 | Confident | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.5 | -50.9 | 174 | 176.1 | 66.9 | 0 | 0 | 0 | 111 | V153 G169 Q175 V176 L177 A207 | V153-L173 HydrophobicContact CG1-CB 4.14Å; V153-L173 HydrophobicContact CG1-CD1 3.74Å; V153-L173 HydrophobicContact CG2-CB 4.38Å; G169-L173 WeakPolarHBondContact O-CB 3.41Å; G169-L173 PolarHBondContact O-N 2.94Å; L173-Q175 PolarHBondContact O-N 2.84Å; L173-V176 WeakPolarHBondContact O-CB 3.26Å; L173-V176 PolarHBondContact O-N 2.93Å; L173-L177 HydrophobicContact CD1-CD1 4.1Å; L173-L177 HydrophobicContact CD1-CD2 4.24Å; L173-L177 HydrophobicContact CD1-CG 3.94Å; L173-L177 HydrophobicContact CD2-CD1 4.44Å; L173-L177 HydrophobicContact CG-CD1 3.97Å; L173-L177 HydrophobicContact CG-CG 4.18Å; L173-L177 WeakPolarHBondContact O-CG 3.32Å; L173-L177 PolarHBondContact O-N 2.98Å; L173-A207 HydrophobicContact CD2-CB 3.13Å |
| 174 | N | 88.4 | Confident | 82.4 | Confident | 56 Ų | 56 | 40.3 Ų | 40.3 | 30% | 0.299 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -58.2 | -36.1 | 178.8 | -74.6 | -41.5 | 0 | 0 | 0 | 111.9 | E170 K171 N178 | E170-N174 PolarHBondContact O-N 2.89Å; E170-N174 PolarHBondContact O-ND2 3.07Å; K171-N174 PolarHBondContact O-N 2.75Å; N174-N178 VanDerWaalsContact O-CB 3.31Å; N174-N178 WeakPolarHBondContact O-CB 3.07Å; N174-N178 PolarHBondContact O-N 3.23Å; N174-N178 PolarHBondContact O-ND2 3.13Å |
| 175 | Q | 87.6 | Confident | 83.2 | Confident | 81 Ų | 81 | 42 Ų | 42 | 38% | 0.379 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.7 | -45 | 172.2 | -73.9 | 171 | -8.7 | 0 | 0 | 112.7 | R149 K171 A172 L173 N178 S179 | R149-Q175 VanDerWaalsContact CZ-OE1 3.23Å; K171-Q175 VanDerWaalsContact O-CG 3.3Å; K171-Q175 WeakPolarHBondContact O-CG 3.43Å; K171-Q175 PolarHBondContact O-N 3.31Å; A172-Q175 PolarHBondContact O-N 2.9Å; L173-Q175 PolarHBondContact O-N 2.84Å; Q175-N178 PolarHBondContact O-N 2.9Å; Q175-S179 PolarHBondContact O-N 2.8Å; Q175-S179 PolarHBondContact O-OG 3.35Å |
| 176 | V | 90.6 | Very high | 83.4 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.4 | -45.5 | 175.6 | 168.4 | 0 | 0 | 0 | 0 | 111.4 | F146 R149 L150 V153 A172 L173 S179 A180 L235 | F146-V176 HydrophobicContact CD2-CG1 3.57Å; F146-V176 HydrophobicContact CE2-CG1 3.53Å; F146-V176 HydrophobicContact CG-CG1 4.47Å; F146-V176 HydrophobicContact CZ-CG1 4.41Å; R149-V176 HydrophobicContact CB-CG2 3.43Å; R149-V176 VanDerWaalsContact CB-CG2 3.43Å; L150-V176 HydrophobicContact CD1-CG1 4.43Å; V153-V176 HydrophobicContact CG2-CG2 3.92Å; A172-V176 WeakPolarHBondContact O-CG2 3.26Å; A172-V176 PolarHBondContact O-N 3.07Å; L173-V176 WeakPolarHBondContact O-CB 3.26Å; L173-V176 PolarHBondContact O-N 2.93Å; V176-S179 PolarHBondContact O-N 3.25Å; V176-A180 WeakPolarHBondContact O-CB 3.47Å; V176-A180 PolarHBondContact O-N 3.46Å; V176-L235 HydrophobicContact CG1-CD1 4.17Å |
| 177 | L | 92.5 | Very high | 83.3 | Confident | 5 Ų | 5 | 41.8 Ų | 41.8 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.6 | -39 | 179 | -62.9 | -177.8 | 0 | 0 | 0 | 112 | L173 A180 K181 C200 L203 N204 L238 | L173-L177 HydrophobicContact CD1-CD1 4.1Å; L173-L177 HydrophobicContact CD1-CD2 4.24Å; L173-L177 HydrophobicContact CD1-CG 3.94Å; L173-L177 HydrophobicContact CD2-CD1 4.44Å; L173-L177 HydrophobicContact CG-CD1 3.97Å; L173-L177 HydrophobicContact CG-CG 4.18Å; L173-L177 WeakPolarHBondContact O-CG 3.32Å; L173-L177 PolarHBondContact O-N 2.98Å; L177-A180 PolarHBondContact O-N 3Å; L177-K181 WeakPolarHBondContact O-CG 3.48Å; L177-K181 PolarHBondContact O-N 2.75Å; L177-C200 HydrophobicContact CD2-CB 4.12Å; L177-L203 HydrophobicContact CD1-CB 4.36Å; L177-L203 HydrophobicContact CD2-CB 3.85Å; L177-L203 HydrophobicContact CD2-CD1 3.93Å; L177-N204 HydrophobicContact CD1-CB 4.08Å; L177-L238 HydrophobicContact CD2-CD2 3.9Å |
| 178 | N | 88.5 | Confident | 82.7 | Confident | 95 Ų | 95 | 44.4 Ų | 44.4 | 51% | 0.508 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -66.6 | -44.9 | 174.9 | -73.4 | -7.5 | 0 | 0 | 0 | 111.8 | N174 Q175 A180 K181 N182 | N174-N178 VanDerWaalsContact O-CB 3.31Å; N174-N178 WeakPolarHBondContact O-CB 3.07Å; N174-N178 PolarHBondContact O-N 3.23Å; N174-N178 PolarHBondContact O-ND2 3.13Å; Q175-N178 PolarHBondContact O-N 2.9Å; N178-A180 VanDerWaalsContact C-N 3.29Å; N178-A180 PolarHBondContact O-N 2.74Å; N178-K181 PolarHBondContact O-N 3.34Å; N178-N182 WeakPolarHBondContact O-CB 3.3Å; N178-N182 PolarHBondContact O-N 2.76Å; N178-N182 PolarHBondContact O-OD1 3.42Å |
| 179 | S | 86.2 | Confident | 81.7 | Confident | 9 Ų | 9 | 48.7 Ų | 48.7 | 6% | 0.063 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.6 | -37.7 | 174.3 | -70.1 | 0 | 0 | 0 | 0 | 112.4 | Q175 V176 L183 | Q175-S179 PolarHBondContact O-N 2.8Å; Q175-S179 PolarHBondContact O-OG 3.35Å; V176-S179 PolarHBondContact O-N 3.25Å; S179-L183 WeakPolarHBondContact O-CB 3.48Å; S179-L183 PolarHBondContact O-N 3.4Å |
| 180 | A | 89.4 | Confident | 80.9 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -68.1 | -41.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | F146 V176 L177 N178 L183 A184 I196 L238 | F146-A180 HydrophobicContact CD2-CB 3.89Å; F146-A180 HydrophobicContact CE2-CB 3.95Å; V176-A180 WeakPolarHBondContact O-CB 3.47Å; V176-A180 PolarHBondContact O-N 3.46Å; L177-A180 PolarHBondContact O-N 3Å; N178-A180 VanDerWaalsContact C-N 3.29Å; N178-A180 PolarHBondContact O-N 2.74Å; A180-L183 PolarHBondContact O-N 2.7Å; A180-A184 PolarHBondContact O-N 3.26Å; A180-I196 HydrophobicContact CB-CG2 4.2Å; A180-I196 WeakPolarHBondContact O-CG2 3.21Å; A180-L238 HydrophobicContact CB-CD1 4.08Å; A180-L238 HydrophobicContact CB-CD2 4Å; A180-L238 HydrophobicContact CB-CG 4.28Å |
| 181 | K | 89 | Confident | 80.4 | Confident | 57 Ų | 57 | 51.4 Ų | 51.4 | 25% | 0.248 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.3 | -41.5 | 174.4 | -76.3 | -177.3 | 176.3 | -173.1 | 0 | 111.9 | L177 N178 A184 N185 C200 D201 | L177-K181 WeakPolarHBondContact O-CG 3.48Å; L177-K181 PolarHBondContact O-N 2.75Å; N178-K181 PolarHBondContact O-N 3.34Å; K181-A184 PolarHBondContact O-N 3.23Å; K181-N185 WeakPolarHBondContact O-CB 3.31Å; K181-N185 PolarHBondContact O-N 3.31Å; K181-N185 PolarHBondContact O-ND2 2.91Å; K181-N185 PolarHBondContact O-OD1 2.74Å; K181-C200 HydrophobicContact CD-CB 4.35Å; K181-C200 HydrophobicContact CG-CB 3.99Å; K181-D201 WeakPolarHBondContact CE-OD1 3.09Å; K181-D201 IonicContact NZ-OD1 3.42Å; K181-D201 PolarHBondContact NZ-OD1 3.14Å |
| 182 | N | 81.1 | Confident | 80.1 | Confident | 73 Ų | 73 | 46.3 Ų | 46.3 | 39% | 0.39 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -58.5 | -50.8 | 173 | -69.7 | -7.4 | 0 | 0 | 0 | 111.1 | N142 N178 A184 N185 L186 | N142-N182 HydrophobicContact CB-CB 4.46Å; N142-N182 VanDerWaalsContact OD1-CB 3.24Å; N142-N182 WeakPolarHBondContact OD1-CB 3.41Å; N142-N182 PolarHBondContact OD1-ND2 3.27Å; N178-N182 WeakPolarHBondContact O-CB 3.3Å; N178-N182 PolarHBondContact O-N 2.76Å; N178-N182 PolarHBondContact O-OD1 3.42Å; N182-A184 PolarHBondContact O-N 3.18Å; N182-N185 PolarHBondContact O-N 3.37Å; N182-L186 WeakPolarHBondContact O-CG 3.46Å; N182-L186 PolarHBondContact O-N 3.34Å; N182-L186 VanDerWaalsContact O-N 3.09Å |
| 183 | L | 82.1 | Confident | 79.7 | Confident | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -56 | -37.4 | 177.4 | -172.1 | 117.8 | 0 | 0 | 0 | 112.6 | M139 N142 K143 S179 A180 I196 C242 L245 | M139-L183 HydrophobicContact CG-CD1 3.84Å; M139-L183 HydrophobicContact CG-CG 4.35Å; M139-L183 VanDerWaalsContact O-CD1 3.3Å; M139-L183 WeakPolarHBondContact O-CD1 3.3Å; N142-L183 HydrophobicContact CB-CB 4.33Å; N142-L183 HydrophobicContact CB-CD1 4.43Å; K143-L183 HydrophobicContact CB-CD1 3.78Å; K143-L183 HydrophobicContact CD-CD1 4.26Å; S179-L183 WeakPolarHBondContact O-CB 3.48Å; S179-L183 PolarHBondContact O-N 3.4Å; A180-L183 PolarHBondContact O-N 2.7Å; L183-I196 HydrophobicContact CD2-CD1 4.46Å; L183-C242 HydrophobicContact CD2-CB 3.7Å; L183-L245 HydrophobicContact CD2-CB 4.22Å; L183-L245 HydrophobicContact CD2-CD2 3.62Å; L183-L245 HydrophobicContact CD2-CG 4.49Å; L183-L245 HydrophobicContact CG-CD2 4.06Å; L183-L245 VanDerWaalsContact O-CD2 3.27Å; L183-L245 WeakPolarHBondContact O-CD2 3.4Å |
| 184 | A | 82.3 | Confident | 79.4 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -70.9 | -39.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | A180 K181 N182 L186 N187 S193 I196 I197 | A180-A184 PolarHBondContact O-N 3.26Å; K181-A184 PolarHBondContact O-N 3.23Å; N182-A184 PolarHBondContact O-N 3.18Å; A184-L186 VanDerWaalsContact C-N 3.3Å; A184-L186 PolarHBondContact O-N 2.93Å; A184-N187 CarbonylContact O-C 3.48Å; A184-N187 PolarHBondContact O-N 2.78Å; A184-S193 WeakPolarHBondContact O-CB 3.14Å; A184-S193 PolarHBondContact O-OG 3.17Å; A184-I196 HydrophobicContact CB-CB 3.97Å; A184-I196 HydrophobicContact CB-CD1 4.46Å; A184-I196 HydrophobicContact CB-CG2 3.7Å; A184-I197 HydrophobicContact CB-CD1 4.29Å; A184-I197 HydrophobicContact CB-CG1 3.95Å |
| 185 | N | 77.1 | Confident | 79.4 | Confident | 81 Ų | 81 | 52.8 Ų | 52.8 | 43% | 0.433 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -68.7 | -24.6 | -178.9 | -71.6 | -15.6 | 0 | 0 | 0 | 113.6 | K181 N182 N187 Q188 | K181-N185 WeakPolarHBondContact O-CB 3.31Å; K181-N185 PolarHBondContact O-N 3.31Å; K181-N185 PolarHBondContact O-ND2 2.91Å; K181-N185 PolarHBondContact O-OD1 2.74Å; N182-N185 PolarHBondContact O-N 3.37Å; N185-N187 PolarHBondContact O-N 3.27Å; N185-Q188 WeakPolarHBondContact O-CG 3.16Å; N185-Q188 PolarHBondContact O-NE2 2.84Å; N185-Q188 VanDerWaalsContact O-NE2 3.16Å |
| 186 | L | 68.1 | Low | 79.4 | Confident | 52 Ų | 52 | 48.9 Ų | 48.9 | 27% | 0.272 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -19.7 | 170.5 | -61.7 | 168.7 | 0 | 0 | 0 | 112.4 | D135 A138 M139 N182 A184 | D135-L186 WeakPolarHBondContact OD1-CD2 3.33Å; A138-L186 HydrophobicContact CB-CD1 4.11Å; M139-L186 HydrophobicContact CB-CD1 4.08Å; N182-L186 WeakPolarHBondContact O-CG 3.46Å; N182-L186 PolarHBondContact O-N 3.34Å; N182-L186 VanDerWaalsContact O-N 3.09Å; A184-L186 VanDerWaalsContact C-N 3.3Å; A184-L186 PolarHBondContact O-N 2.93Å |
| 187 | N | 67.8 | Low | 79.3 | Confident | 46 Ų | 46 | 51.4 Ų | 51.4 | 25% | 0.246 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -128.7 | 49.6 | -173 | -86.4 | -77.3 | 0 | 0 | 0 | 112.6 | M139 A184 N185 T189 S190 S193 L245 | M139-N187 PolarHBondContact SD-ND2 3.27Å; M139-N187 VanDerWaalsContact SD-ND2 3.37Å; A184-N187 CarbonylContact O-C 3.48Å; A184-N187 PolarHBondContact O-N 2.78Å; N185-N187 PolarHBondContact O-N 3.27Å; N187-T189 PolarHBondContact O-N 3.3Å; N187-T189 VanDerWaalsContact O-N 3.08Å; N187-S190 VanDerWaalsContact O-CB 3.25Å; N187-S190 WeakPolarHBondContact O-CB 3.45Å; N187-S190 PolarHBondContact O-N 3.27Å; N187-S193 WeakPolarHBondContact O-CB 3.41Å; N187-L245 HydrophobicContact CB-CD1 3.99Å; N187-L245 HydrophobicContact CB-CD2 4.07Å; N187-L245 HydrophobicContact CB-CG 4.26Å |
| 188 | Q | 63.2 | Low | 79.2 | Confident | 143 Ų | 143 | 56.9 Ų | 56.9 | 67% | 0.668 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -25.4 | -171.2 | -51.1 | -173.6 | 13.1 | 0 | 0 | 114.8 | N185 S190 | N185-Q188 WeakPolarHBondContact O-CG 3.16Å; N185-Q188 PolarHBondContact O-NE2 2.84Å; N185-Q188 VanDerWaalsContact O-NE2 3.16Å; Q188-S190 VanDerWaalsContact C-N 3.3Å |
| 189 | T | 57.2 | Low | 79.4 | Confident | 131 Ų | 131 | 52.6 Ų | 52.6 | 80% | 0.804 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -18.2 | 176.9 | 53.9 | 0 | 0 | 0 | 0 | 113.2 | N187 | N187-T189 PolarHBondContact O-N 3.3Å; N187-T189 VanDerWaalsContact O-N 3.08Å |
| 190 | S | 65.4 | Low | 79.7 | Confident | 7 Ų | 7 | 52.1 Ų | 52.1 | 5% | 0.049 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -77.6 | 132.2 | -176.7 | -173.9 | 0 | 0 | 0 | 0 | 112 | N187 Q188 N192 S193 L245 R248 | N187-S190 VanDerWaalsContact O-CB 3.25Å; N187-S190 WeakPolarHBondContact O-CB 3.45Å; N187-S190 PolarHBondContact O-N 3.27Å; Q188-S190 VanDerWaalsContact C-N 3.3Å; S190-N192 PolarHBondContact O-N 3.46Å; S190-N192 VanDerWaalsContact O-N 3.12Å; S190-N192 PolarHBondContact OG-N 2.83Å; S190-S193 WeakPolarHBondContact O-CB 3.47Å; S190-S193 PolarHBondContact O-N 2.88Å; S190-L245 VanDerWaalsContact OG-CD1 3.26Å; S190-L245 WeakPolarHBondContact OG-CD1 3.11Å; S190-R248 PolarHBondContact OG-NH1 3.23Å |
| 191 | S | 72.1 | Confident | 79.8 | Confident | 84 Ų | 84 | 55.5 Ų | 55.5 | 59% | 0.587 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -51.1 | -34.6 | 168.4 | 49.8 | 0 | 0 | 0 | 0 | 112.7 | S193 A195 | S191-S193 VanDerWaalsContact C-N 3.34Å; S191-A195 PolarHBondContact O-N 3.03Å |
| 192 | N | 76.9 | Confident | 80 | Confident | 39 Ų | 39 | 55.5 Ų | 55.5 | 21% | 0.209 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -73.4 | -27.1 | -177.8 | -61.6 | 11.4 | 0 | 0 | 0 | 111.7 | S190 A195 I196 L245 | S190-N192 PolarHBondContact O-N 3.46Å; S190-N192 VanDerWaalsContact O-N 3.12Å; S190-N192 PolarHBondContact OG-N 2.83Å; N192-A195 PolarHBondContact O-N 2.71Å; N192-I196 WeakPolarHBondContact O-CB 3.41Å; N192-I196 WeakPolarHBondContact O-CD1 3.32Å; N192-I196 VanDerWaalsContact O-CG1 3.22Å; N192-I196 WeakPolarHBondContact O-CG1 3.42Å; N192-I196 PolarHBondContact O-N 2.92Å; N192-L245 HydrophobicContact CB-CD1 4.06Å |
| 193 | S | 78.9 | Confident | 80.6 | Confident | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.1 | -49.7 | 176.9 | 168.3 | 0 | 0 | 0 | 0 | 111.2 | A184 N187 S190 S191 A195 I196 I197 | A184-S193 WeakPolarHBondContact O-CB 3.14Å; A184-S193 PolarHBondContact O-OG 3.17Å; N187-S193 WeakPolarHBondContact O-CB 3.41Å; S190-S193 WeakPolarHBondContact O-CB 3.47Å; S190-S193 PolarHBondContact O-N 2.88Å; S191-S193 VanDerWaalsContact C-N 3.34Å; S193-A195 VanDerWaalsContact C-N 3.3Å; S193-A195 PolarHBondContact O-N 3.39Å; S193-I196 PolarHBondContact O-N 3.36Å; S193-I197 WeakPolarHBondContact O-CG1 3.31Å; S193-I197 PolarHBondContact O-N 2.79Å |
| 194 | K | 82.8 | Confident | 81.1 | Confident | 157 Ų | 157 | 54.2 Ų | 54.2 | 68% | 0.683 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -61.5 | -37.6 | 176.3 | -64.7 | -178.7 | 180 | 178.5 | 0 | 112.5 | H198 | K194-H198 PolarHBondContact O-N 3.08Å |
| 195 | A | 87.9 | Confident | 81.5 | Confident | 43 Ų | 43 | 59 Ų | 59 | 36% | 0.355 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -68.8 | -38.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | S191 N192 S193 L199 L241 | S191-A195 PolarHBondContact O-N 3.03Å; N192-A195 PolarHBondContact O-N 2.71Å; S193-A195 VanDerWaalsContact C-N 3.3Å; S193-A195 PolarHBondContact O-N 3.39Å; A195-L199 VanDerWaalsContact O-CB 3.24Å; A195-L199 WeakPolarHBondContact O-CB 3.28Å; A195-L199 PolarHBondContact O-N 3.42Å; A195-L241 HydrophobicContact CB-CD1 4.09Å |
| 196 | I | 88.3 | Confident | 82.2 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.3 | -47.8 | 175.4 | -74.1 | 162.1 | 0 | 0 | 0 | 110.6 | A180 L183 A184 N192 S193 H198 L199 C200 L238 L241 L245 | A180-I196 HydrophobicContact CB-CG2 4.2Å; A180-I196 WeakPolarHBondContact O-CG2 3.21Å; L183-I196 HydrophobicContact CD2-CD1 4.46Å; A184-I196 HydrophobicContact CB-CB 3.97Å; A184-I196 HydrophobicContact CB-CD1 4.46Å; A184-I196 HydrophobicContact CB-CG2 3.7Å; N192-I196 WeakPolarHBondContact O-CB 3.41Å; N192-I196 WeakPolarHBondContact O-CD1 3.32Å; N192-I196 VanDerWaalsContact O-CG1 3.22Å; N192-I196 WeakPolarHBondContact O-CG1 3.42Å; N192-I196 PolarHBondContact O-N 2.92Å; S193-I196 PolarHBondContact O-N 3.36Å; I196-H198 PolarHBondContact O-N 3.3Å; I196-L199 PolarHBondContact O-N 2.93Å; I196-C200 PolarHBondContact O-N 3.09Å; I196-C200 PolarHBondContact O-SG 3.34Å; I196-C200 VanDerWaalsContact O-SG 3.35Å; I196-L238 HydrophobicContact CB-CD1 4.4Å; I196-L238 HydrophobicContact CG1-CD1 4.36Å; I196-L238 HydrophobicContact CG2-CD1 3.88Å; I196-L241 HydrophobicContact CD1-CB 4.08Å; I196-L241 HydrophobicContact CG1-CB 3.61Å; I196-L241 HydrophobicContact CG1-CD1 4.24Å; I196-L245 HydrophobicContact CD1-CB 4.41Å; I196-L245 HydrophobicContact CD1-CD2 3.96Å |
| 197 | I | 88.6 | Confident | 83.2 | Confident | 53 Ų | 53 | 57 Ų | 57 | 27% | 0.272 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -59.4 | -51.6 | -178.4 | -66.1 | 165.3 | 0 | 0 | 0 | 110.6 | A184 S193 L199 C200 D201 | A184-I197 HydrophobicContact CB-CD1 4.29Å; A184-I197 HydrophobicContact CB-CG1 3.95Å; S193-I197 WeakPolarHBondContact O-CG1 3.31Å; S193-I197 PolarHBondContact O-N 2.79Å; I197-L199 VanDerWaalsContact C-N 3.33Å; I197-L199 PolarHBondContact O-N 3.46Å; I197-C200 WeakPolarHBondContact O-CB 3.41Å; I197-C200 PolarHBondContact O-N 3.43Å; I197-D201 PolarHBondContact O-N 2.96Å; I197-D201 VanDerWaalsContact O-N 3.11Å |
| 198 | H | 90.7 | Very high | 84.3 | Confident | 120 Ų | 120 | 58.2 Ų | 58.2 | 56% | 0.556 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -59.1 | -42 | 177.8 | -168.7 | -75.3 | 0 | 0 | 0 | 112.6 | K194 I196 C200 D201 E202 | K194-H198 PolarHBondContact O-N 3.08Å; I196-H198 PolarHBondContact O-N 3.3Å; H198-C200 VanDerWaalsContact C-N 3.34Å; H198-C200 PolarHBondContact O-N 3.33Å; H198-D201 PolarHBondContact O-N 3.41Å; H198-E202 IonicContact CE1-OE1 2.68Å; H198-E202 PolarHBondContact CE1-OE1 3.12Å; H198-E202 IonicContact ND1-OE1 3.71Å; H198-E202 PolarHBondContact ND1-OE1 3.09Å; H198-E202 PolarHBondContact O-N 2.95Å |
| 199 | L | 92.6 | Very high | 85.5 | Confident | 4 Ų | 4 | 54.1 Ų | 54.1 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68.9 | -32.2 | 179.2 | -174.7 | 60.4 | 0 | 0 | 0 | 112.4 | A195 I196 I197 L203 K234 Q237 L238 L241 | A195-L199 VanDerWaalsContact O-CB 3.24Å; A195-L199 WeakPolarHBondContact O-CB 3.28Å; A195-L199 PolarHBondContact O-N 3.42Å; I196-L199 PolarHBondContact O-N 2.93Å; I197-L199 VanDerWaalsContact C-N 3.33Å; I197-L199 PolarHBondContact O-N 3.46Å; L199-L203 HydrophobicContact CG-CD1 4.28Å; L199-L203 VanDerWaalsContact O-CB 3.32Å; L199-L203 WeakPolarHBondContact O-CB 3.39Å; L199-L203 WeakPolarHBondContact O-CD1 3.49Å; L199-L203 VanDerWaalsContact O-CG 3.28Å; L199-L203 WeakPolarHBondContact O-CG 3.48Å; L199-L203 PolarHBondContact O-N 3.12Å; L199-K234 HydrophobicContact CD1-CB 4.02Å; L199-K234 HydrophobicContact CD1-CD 4.34Å; L199-K234 HydrophobicContact CD1-CG 4.07Å; L199-Q237 HydrophobicContact CD2-CB 3.97Å; L199-Q237 HydrophobicContact CD2-CG 3.72Å; L199-L238 HydrophobicContact CD2-CB 3.84Å; L199-L238 HydrophobicContact CD2-CD1 4.27Å; L199-L238 HydrophobicContact CG-CB 4.39Å; L199-L241 HydrophobicContact CD2-CD1 4.01Å |
| 200 | C | 92.8 | Very high | 87 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.5 | -37.4 | 172.5 | -74.1 | 0 | 0 | 0 | 0 | 112.6 | L177 K181 I196 I197 H198 L203 N204 | L177-C200 HydrophobicContact CD2-CB 4.12Å; K181-C200 HydrophobicContact CD-CB 4.35Å; K181-C200 HydrophobicContact CG-CB 3.99Å; I196-C200 PolarHBondContact O-N 3.09Å; I196-C200 PolarHBondContact O-SG 3.34Å; I196-C200 VanDerWaalsContact O-SG 3.35Å; I197-C200 WeakPolarHBondContact O-CB 3.41Å; I197-C200 PolarHBondContact O-N 3.43Å; H198-C200 VanDerWaalsContact C-N 3.34Å; H198-C200 PolarHBondContact O-N 3.33Å; C200-L203 PolarHBondContact O-N 2.97Å; C200-N204 PolarHBondContact O-N 2.71Å; C200-N204 VanDerWaalsContact O-N 3.1Å |
| 201 | D | 91.4 | Very high | 87.9 | Confident | 71 Ų | 71 | 47.7 Ų | 47.7 | 38% | 0.38 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -67.4 | -47.1 | 175.9 | -67 | -37.3 | 0 | 0 | 0 | 111 | K181 I197 H198 L203 N204 D205 | K181-D201 WeakPolarHBondContact CE-OD1 3.09Å; K181-D201 IonicContact NZ-OD1 3.42Å; K181-D201 PolarHBondContact NZ-OD1 3.14Å; I197-D201 PolarHBondContact O-N 2.96Å; I197-D201 VanDerWaalsContact O-N 3.11Å; H198-D201 PolarHBondContact O-N 3.41Å; D201-L203 VanDerWaalsContact C-N 3.32Å; D201-L203 PolarHBondContact O-N 2.94Å; D201-N204 WeakPolarHBondContact O-CB 3.42Å; D201-N204 PolarHBondContact O-N 3.5Å; D201-D205 PolarHBondContact O-N 3.1Å; D201-D205 VanDerWaalsContact O-N 3.17Å |
| 202 | E | 93.1 | Very high | 88.6 | Confident | 56 Ų | 56 | 50 Ų | 50 | 26% | 0.262 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -55.8 | -45.2 | 172.1 | -73.4 | -177.4 | -118.9 | 0 | 0 | 112.5 | H198 N204 D205 Y206 K234 | H198-E202 IonicContact CE1-OE1 2.68Å; H198-E202 PolarHBondContact CE1-OE1 3.12Å; H198-E202 IonicContact ND1-OE1 3.71Å; H198-E202 PolarHBondContact ND1-OE1 3.09Å; H198-E202 PolarHBondContact O-N 2.95Å; E202-N204 VanDerWaalsContact C-N 3.3Å; E202-N204 PolarHBondContact O-N 2.88Å; E202-D205 PolarHBondContact O-N 3.14Å; E202-Y206 HydrophobicContact CB-CE2 4.49Å; E202-Y206 WeakPolarHBondContact O-CD2 3.26Å; E202-Y206 PolarHBondContact O-N 3.45Å; E202-K234 WeakPolarHBondContact OE2-CE 3.07Å; E202-K234 IonicContact OE2-NZ 3.88Å; E202-K234 PolarHBondContact OE2-NZ 2.99Å |
| 203 | L | 92.8 | Very high | 89 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.6 | -36.5 | 179.5 | -84.7 | 167.1 | 0 | 0 | 0 | 112.6 | L177 L199 C200 D201 A207 L231 K234 L235 L238 | L177-L203 HydrophobicContact CD1-CB 4.36Å; L177-L203 HydrophobicContact CD2-CB 3.85Å; L177-L203 HydrophobicContact CD2-CD1 3.93Å; L199-L203 HydrophobicContact CG-CD1 4.28Å; L199-L203 VanDerWaalsContact O-CB 3.32Å; L199-L203 WeakPolarHBondContact O-CB 3.39Å; L199-L203 WeakPolarHBondContact O-CD1 3.49Å; L199-L203 VanDerWaalsContact O-CG 3.28Å; L199-L203 WeakPolarHBondContact O-CG 3.48Å; L199-L203 PolarHBondContact O-N 3.12Å; C200-L203 PolarHBondContact O-N 2.97Å; D201-L203 VanDerWaalsContact C-N 3.32Å; D201-L203 PolarHBondContact O-N 2.94Å; L203-A207 WeakPolarHBondContact O-CB 3.26Å; L203-A207 PolarHBondContact O-N 2.7Å; L203-A207 VanDerWaalsContact O-N 3.08Å; L203-L231 HydrophobicContact CD2-CD2 3.81Å; L203-L231 WeakPolarHBondContact O-CD2 3.21Å; L203-K234 HydrophobicContact CD2-CB 3.52Å; L203-K234 HydrophobicContact CG-CB 3.99Å; L203-L235 HydrophobicContact CD2-CB 4.39Å; L203-L238 HydrophobicContact CD1-CB 4.03Å; L203-L238 HydrophobicContact CD1-CD2 3.61Å; L203-L238 HydrophobicContact CD1-CG 4.39Å |
| 204 | N | 92.3 | Very high | 89.3 | Confident | 48 Ų | 48 | 50 Ų | 50 | 26% | 0.257 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -62.8 | -46.6 | 172.9 | 171.9 | 77.9 | 0 | 0 | 0 | 111.3 | L177 C200 D201 E202 A207 Q208 | L177-N204 HydrophobicContact CD1-CB 4.08Å; C200-N204 PolarHBondContact O-N 2.71Å; C200-N204 VanDerWaalsContact O-N 3.1Å; D201-N204 WeakPolarHBondContact O-CB 3.42Å; D201-N204 PolarHBondContact O-N 3.5Å; E202-N204 VanDerWaalsContact C-N 3.3Å; E202-N204 PolarHBondContact O-N 2.88Å; N204-A207 PolarHBondContact O-N 2.87Å; N204-A207 VanDerWaalsContact O-N 3.08Å; N204-Q208 WeakPolarHBondContact O-CG 3.47Å; N204-Q208 PolarHBondContact O-N 3.06Å |
| 205 | D | 92 | Very high | 89.2 | Confident | 101 Ų | 101 | 49.5 Ų | 49.5 | 54% | 0.54 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -66.7 | -42.1 | -175.5 | -67.9 | -6.2 | 0 | 0 | 0 | 112.2 | D201 E202 A207 S209 | D201-D205 PolarHBondContact O-N 3.1Å; D201-D205 VanDerWaalsContact O-N 3.17Å; E202-D205 PolarHBondContact O-N 3.14Å; D205-A207 VanDerWaalsContact C-N 3.28Å; D205-A207 PolarHBondContact O-N 3.04Å; D205-S209 WeakPolarHBondContact O-CB 3.32Å; D205-S209 PolarHBondContact O-N 3.12Å; D205-S209 VanDerWaalsContact O-N 3.07Å; D205-S209 PolarHBondContact O-OG 2.84Å |
| 206 | Y | 92.1 | Very high | 88.9 | Confident | 89 Ų | 89 | 50 Ų | 50 | 35% | 0.349 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.4 | -34.6 | 171.6 | -75 | -70.7 | 0 | 0 | 0 | 111.8 | E202 S209 L210 I227 T230 K234 | E202-Y206 HydrophobicContact CB-CE2 4.49Å; E202-Y206 WeakPolarHBondContact O-CD2 3.26Å; E202-Y206 PolarHBondContact O-N 3.45Å; Y206-S209 WeakPolarHBondContact O-CB 3.47Å; Y206-S209 PolarHBondContact O-N 2.97Å; Y206-L210 PolarHBondContact O-N 3.46Å; Y206-I227 HydrophobicContact CD1-CG2 4.35Å; Y206-I227 VanDerWaalsContact O-CG2 3.28Å; Y206-I227 WeakPolarHBondContact O-CG2 3.47Å; Y206-T230 HydrophobicContact CD1-CG2 4.19Å; Y206-T230 HydrophobicContact CE1-CG2 3.99Å; Y206-T230 HydrophobicContact CE2-CG2 4.37Å; Y206-T230 HydrophobicContact CG-CG2 4.46Å; Y206-K234 HydrophobicContact CD2-CD 4.01Å; Y206-K234 HydrophobicContact CE2-CD 3.93Å |
| 207 | A | 89.2 | Confident | 88.3 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.008 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -74.2 | -42 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L173 L203 N204 D205 S209 L210 I211 L231 | L173-A207 HydrophobicContact CD2-CB 3.13Å; L203-A207 WeakPolarHBondContact O-CB 3.26Å; L203-A207 PolarHBondContact O-N 2.7Å; L203-A207 VanDerWaalsContact O-N 3.08Å; N204-A207 PolarHBondContact O-N 2.87Å; N204-A207 VanDerWaalsContact O-N 3.08Å; D205-A207 VanDerWaalsContact C-N 3.28Å; D205-A207 PolarHBondContact O-N 3.04Å; A207-S209 PolarHBondContact O-N 3.36Å; A207-L210 PolarHBondContact O-N 3.09Å; A207-I211 WeakPolarHBondContact O-CB 3.42Å; A207-I211 WeakPolarHBondContact O-CD1 3.02Å; A207-I211 WeakPolarHBondContact O-CG1 3.29Å; A207-I211 PolarHBondContact O-N 3.46Å; A207-L231 HydrophobicContact CB-CD1 4.42Å; A207-L231 HydrophobicContact CB-CD2 4.09Å |
| 208 | Q | 90 | Very high | 87.7 | Confident | 72 Ų | 72 | 56.7 Ų | 56.7 | 34% | 0.336 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.4 | -38.1 | 171 | -66.6 | -59.4 | -24.4 | 0 | 0 | 110.9 | N204 I211 H212 | N204-Q208 WeakPolarHBondContact O-CG 3.47Å; N204-Q208 PolarHBondContact O-N 3.06Å; Q208-I211 PolarHBondContact O-N 3.22Å; Q208-H212 WeakPolarHBondContact O-CB 3.39Å; Q208-H212 PolarHBondContact O-N 3.04Å |
| 209 | S | 89.5 | Confident | 86.6 | Confident | 57 Ų | 57 | 51.4 Ų | 51.4 | 40% | 0.399 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.2 | -46.1 | 172.9 | -53.9 | 0 | 0 | 0 | 0 | 112.7 | D205 Y206 A207 H212 L213 | D205-S209 WeakPolarHBondContact O-CB 3.32Å; D205-S209 PolarHBondContact O-N 3.12Å; D205-S209 VanDerWaalsContact O-N 3.07Å; D205-S209 PolarHBondContact O-OG 2.84Å; Y206-S209 WeakPolarHBondContact O-CB 3.47Å; Y206-S209 PolarHBondContact O-N 2.97Å; A207-S209 PolarHBondContact O-N 3.36Å; S209-H212 PolarHBondContact O-N 2.98Å; S209-L213 PolarHBondContact O-N 3.38Å |
| 210 | L | 87 | Confident | 85.7 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.4 | -40.2 | 175.6 | -178.7 | 60 | 0 | 0 | 0 | 112.2 | Y206 A207 H212 L213 R214 A224 I227 A228 L231 | Y206-L210 PolarHBondContact O-N 3.46Å; A207-L210 PolarHBondContact O-N 3.09Å; L210-H212 VanDerWaalsContact C-N 3.33Å; L210-L213 PolarHBondContact O-N 3Å; L210-R214 HydrophobicContact CD1-CG 4.31Å; L210-R214 WeakPolarHBondContact O-CB 3.24Å; L210-R214 WeakPolarHBondContact O-CG 3.44Å; L210-R214 PolarHBondContact O-N 3.41Å; L210-A224 HydrophobicContact CD1-CB 4.12Å; L210-I227 HydrophobicContact CB-CG2 3.9Å; L210-A228 HydrophobicContact CD2-CB 4.19Å; L210-L231 HydrophobicContact CB-CD1 3.98Å; L210-L231 HydrophobicContact CD2-CD1 3.58Å; L210-L231 HydrophobicContact CG-CD1 4.42Å |
| 211 | I | 85.8 | Confident | 84.9 | Confident | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.9 | -42.4 | 175.7 | -72.5 | 163.2 | 0 | 0 | 0 | 110 | W156 M166 E170 A207 Q208 R214 R215 | W156-I211 HydrophobicContact CH2-CD1 4.11Å; W156-I211 HydrophobicContact CH2-CG1 3.75Å; W156-I211 HydrophobicContact CZ2-CG1 4.22Å; M166-I211 HydrophobicContact CE-CG2 4.18Å; E170-I211 HydrophobicContact CB-CD1 4.06Å; E170-I211 HydrophobicContact CG-CD1 3.74Å; A207-I211 WeakPolarHBondContact O-CB 3.42Å; A207-I211 WeakPolarHBondContact O-CD1 3.02Å; A207-I211 WeakPolarHBondContact O-CG1 3.29Å; A207-I211 PolarHBondContact O-N 3.46Å; Q208-I211 PolarHBondContact O-N 3.22Å; I211-R214 PolarHBondContact O-N 2.92Å; I211-R215 HydrophobicContact CG2-CG 4.36Å; I211-R215 VanDerWaalsContact CG2-NE 3.35Å; I211-R215 WeakPolarHBondContact O-CB 3.37Å; I211-R215 VanDerWaalsContact O-CG 3.28Å; I211-R215 WeakPolarHBondContact O-CG 3.1Å; I211-R215 PolarHBondContact O-N 3.11Å |
| 212 | H | 86.5 | Confident | 84.6 | Confident | 133 Ų | 133 | 59.1 Ų | 59.1 | 62% | 0.616 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -62.9 | -46.3 | 175.8 | -175.3 | -98.7 | 0 | 0 | 0 | 112.1 | Q208 S209 L210 R214 R215 S216 | Q208-H212 WeakPolarHBondContact O-CB 3.39Å; Q208-H212 PolarHBondContact O-N 3.04Å; S209-H212 PolarHBondContact O-N 2.98Å; L210-H212 VanDerWaalsContact C-N 3.33Å; H212-R214 PolarHBondContact O-N 3.39Å; H212-R215 PolarHBondContact O-N 2.8Å; H212-S216 WeakPolarHBondContact O-CB 3.4Å; H212-S216 PolarHBondContact O-N 3.31Å; H212-S216 PolarHBondContact O-OG 3.38Å |
| 213 | L | 84.9 | Confident | 84.2 | Confident | 20 Ų | 20 | 62.3 Ų | 62.3 | 11% | 0.105 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64 | -38.7 | 176 | -72.2 | 172.2 | 0 | 0 | 0 | 113.1 | S209 L210 S216 G217 H218 G219 E223 A224 I227 | S209-L213 PolarHBondContact O-N 3.38Å; L210-L213 PolarHBondContact O-N 3Å; L213-S216 PolarHBondContact O-N 3.21Å; L213-S216 PolarHBondContact O-OG 3.26Å; L213-S216 VanDerWaalsContact O-OG 3.07Å; L213-G217 PolarHBondContact O-N 3.49Å; L213-H218 HydrophobicContact CD2-CB 4.28Å; L213-H218 CarbonylContact O-C 3.57Å; L213-H218 WeakPolarHBondContact O-CA 3.17Å; L213-H218 PolarHBondContact O-N 2.7Å; L213-G219 PolarHBondContact O-N 3.18Å; L213-E223 HydrophobicContact CD1-CB 4.48Å; L213-E223 HydrophobicContact CD1-CG 3.95Å; L213-A224 HydrophobicContact CB-CB 4.31Å; L213-A224 HydrophobicContact CD1-CB 4.11Å; L213-I227 HydrophobicContact CD1-CD1 3.7Å |
| 214 | R | 84.7 | Confident | 83.9 | Confident | 22 Ų | 22 | 62.3 Ų | 62.3 | 8% | 0.083 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -66.3 | -45.6 | 173.9 | -76.3 | 171.2 | 166.5 | -179.3 | -5.8 | 111.2 | W156 I157 D159 C162 M166 L210 I211 H212 S216 G217 | W156-R214 VanDerWaalsContact O-CZ 3.32Å; W156-R214 PolarHBondContact O-NH1 3Å; W156-R214 PolarHBondContact O-NH2 2.96Å; I157-R214 PolarHBondContact O-NH2 3.01Å; D159-R214 PolarHBondContact O-NH2 2.87Å; C162-R214 VanDerWaalsContact SG-CD 3.58Å; M166-R214 HydrophobicContact CE-CB 3.35Å; M166-R214 HydrophobicContact CE-CG 4.45Å; M166-R214 HydrophobicContact SD-CB 4.11Å; L210-R214 HydrophobicContact CD1-CG 4.31Å; L210-R214 WeakPolarHBondContact O-CB 3.24Å; L210-R214 WeakPolarHBondContact O-CG 3.44Å; L210-R214 PolarHBondContact O-N 3.41Å; I211-R214 PolarHBondContact O-N 2.92Å; H212-R214 PolarHBondContact O-N 3.39Å; R214-S216 VanDerWaalsContact C-N 3.28Å; R214-S216 PolarHBondContact O-N 3.39Å; R214-G217 PolarHBondContact O-N 3.23Å; R214-G217 VanDerWaalsContact O-N 3.16Å |
| 215 | R | 81.7 | Confident | 83.6 | Confident | 145 Ų | 145 | 62.9 Ų | 62.9 | 55% | 0.547 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.9 | -29 | 175.2 | -72.9 | 177.8 | -171.2 | 160.8 | 6.8 | 112.7 | M166 E170 I211 H212 G217 | M166-R215 HydrophobicContact CE-CG 3.73Å; M166-R215 HydrophobicContact SD-CG 4.05Å; E170-R215 IonicContact OE1-NH2 3.71Å; E170-R215 PolarHBondContact OE1-NH2 3.44Å; E170-R215 IonicContact OE2-CZ 3.51Å; E170-R215 IonicContact OE2-NH2 2.64Å; E170-R215 PolarHBondContact OE2-NH2 3.12Å; I211-R215 HydrophobicContact CG2-CG 4.36Å; I211-R215 VanDerWaalsContact CG2-NE 3.35Å; I211-R215 WeakPolarHBondContact O-CB 3.37Å; I211-R215 VanDerWaalsContact O-CG 3.28Å; I211-R215 WeakPolarHBondContact O-CG 3.1Å; I211-R215 PolarHBondContact O-N 3.11Å; H212-R215 PolarHBondContact O-N 2.8Å; R215-G217 VanDerWaalsContact C-N 3.3Å; R215-G217 PolarHBondContact O-N 3.47Å |
| 216 | S | 81.5 | Confident | 83.4 | Confident | 55 Ų | 55 | 64.2 Ų | 64.2 | 39% | 0.385 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 5.2 | 176 | 78.8 | 0 | 0 | 0 | 0 | 114.4 | H212 L213 R214 H218 | H212-S216 WeakPolarHBondContact O-CB 3.4Å; H212-S216 PolarHBondContact O-N 3.31Å; H212-S216 PolarHBondContact O-OG 3.38Å; L213-S216 PolarHBondContact O-N 3.21Å; L213-S216 PolarHBondContact O-OG 3.26Å; L213-S216 VanDerWaalsContact O-OG 3.07Å; R214-S216 VanDerWaalsContact C-N 3.28Å; R214-S216 PolarHBondContact O-N 3.39Å; S216-H218 VanDerWaalsContact C-N 3.26Å; S216-H218 PolarHBondContact O-N 2.99Å; S216-H218 PolarHBondContact O-ND1 3.04Å; S216-H218 PolarHBondContact OG-ND1 3.17Å |
| 217 | G | 74.2 | Confident | 83.4 | Confident | 68 Ų | 68 | 60.9 Ų | 60.9 | 70% | 0.701 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.9 | -0.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | L213 R214 R215 G219 | L213-G217 PolarHBondContact O-N 3.49Å; R214-G217 PolarHBondContact O-N 3.23Å; R214-G217 VanDerWaalsContact O-N 3.16Å; R215-G217 VanDerWaalsContact C-N 3.3Å; R215-G217 PolarHBondContact O-N 3.47Å; G217-G219 VanDerWaalsContact C-N 3.32Å; G217-G219 PolarHBondContact O-N 3.35Å |
| 218 | H | 76.3 | Confident | 83.4 | Confident | 125 Ų | 125 | 61.4 Ų | 61.4 | 58% | 0.579 | 34% | 0.34 | S | S | * | . | trans | -92.4 | 15.8 | -178.4 | -65.8 | 77.5 | 0 | 0 | 0 | 113.1 | L213 S216 N220 G221 A224 | L213-H218 HydrophobicContact CD2-CB 4.28Å; L213-H218 CarbonylContact O-C 3.57Å; L213-H218 WeakPolarHBondContact O-CA 3.17Å; L213-H218 PolarHBondContact O-N 2.7Å; S216-H218 VanDerWaalsContact C-N 3.26Å; S216-H218 PolarHBondContact O-N 2.99Å; S216-H218 PolarHBondContact O-ND1 3.04Å; S216-H218 PolarHBondContact OG-ND1 3.17Å; H218-N220 PolarHBondContact O-N 3.29Å; H218-N220 VanDerWaalsContact O-N 3.11Å; H218-G221 PolarHBondContact O-N 3.11Å; H218-A224 WeakPolarHBondContact O-CB 2.87Å | ||
| 219 | G | 68.1 | Low | 83.4 | Confident | 9 Ų | 9 | 63.1 Ų | 63.1 | 9% | 0.093 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -24.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | L213 G217 A224 | L213-G219 PolarHBondContact O-N 3.18Å; G217-G219 VanDerWaalsContact C-N 3.32Å; G217-G219 PolarHBondContact O-N 3.35Å; G219-A224 VanDerWaalsContact O-CB 3.26Å; G219-A224 WeakPolarHBondContact O-CB 3.43Å |
| 220 | N | 73.1 | Confident | 83.5 | Confident | 98 Ų | 98 | 61.5 Ų | 61.5 | 52% | 0.524 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 5.4 | 175.5 | -72.8 | -15.6 | 0 | 0 | 0 | 113.7 | S160 N161 H218 N225 | S160-N220 WeakPolarHBondContact CB-OD1 3.28Å; S160-N220 PolarHBondContact O-OD1 3.49Å; S160-N220 VanDerWaalsContact O-OD1 3.08Å; N161-N220 PolarHBondContact OD1-ND2 3.49Å; H218-N220 PolarHBondContact O-N 3.29Å; H218-N220 VanDerWaalsContact O-N 3.11Å; N220-N225 PolarHBondContact O-ND2 3.11Å |
| 221 | G | 77.5 | Confident | 83.8 | Confident | 29 Ų | 29 | 61.5 Ų | 61.5 | 30% | 0.299 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -70 | 161.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | H218 E223 A224 N225 | H218-G221 PolarHBondContact O-N 3.11Å; G221-E223 VanDerWaalsContact C-N 3.27Å; G221-E223 PolarHBondContact O-N 2.88Å; G221-A224 PolarHBondContact O-N 2.92Å; G221-N225 PolarHBondContact O-N 3.17Å; G221-N225 PolarHBondContact O-ND2 3.48Å |
| 222 | S | 83.8 | Confident | 84.1 | Confident | 110 Ų | 110 | 63 Ų | 63 | 77% | 0.769 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -60.8 | -36.4 | 174.9 | 48.4 | 0 | 0 | 0 | 0 | 112.5 | H226 | S222-H226 WeakPolarHBondContact O-CB 3.33Å; S222-H226 PolarHBondContact O-N 2.89Å |
| 223 | E | 86.1 | Confident | 84.4 | Confident | 123 Ų | 123 | 61 Ų | 61 | 58% | 0.575 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -65.2 | -48.5 | 174.9 | -174.1 | 179.4 | -169.3 | 0 | 0 | 112.2 | L213 G221 N225 H226 I227 | L213-E223 HydrophobicContact CD1-CB 4.48Å; L213-E223 HydrophobicContact CD1-CG 3.95Å; G221-E223 VanDerWaalsContact C-N 3.27Å; G221-E223 PolarHBondContact O-N 2.88Å; E223-N225 VanDerWaalsContact C-N 3.33Å; E223-N225 PolarHBondContact O-N 2.81Å; E223-H226 WeakPolarHBondContact O-CB 3.37Å; E223-H226 PolarHBondContact O-N 3.48Å; E223-H226 VanDerWaalsContact O-N 3.08Å; E223-I227 HydrophobicContact CG-CD1 4.18Å; E223-I227 WeakPolarHBondContact O-CG1 3.35Å; E223-I227 PolarHBondContact O-N 3.01Å |
| 224 | A | 85.5 | Confident | 84.8 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.008 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.4 | -42.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L210 L213 H218 G219 G221 I227 A228 | L210-A224 HydrophobicContact CD1-CB 4.12Å; L213-A224 HydrophobicContact CB-CB 4.31Å; L213-A224 HydrophobicContact CD1-CB 4.11Å; H218-A224 WeakPolarHBondContact O-CB 2.87Å; G219-A224 VanDerWaalsContact O-CB 3.26Å; G219-A224 WeakPolarHBondContact O-CB 3.43Å; G221-A224 PolarHBondContact O-N 2.92Å; A224-I227 PolarHBondContact O-N 3.34Å; A224-A228 WeakPolarHBondContact O-CB 3.34Å; A224-A228 PolarHBondContact O-N 3.47Å |
| 225 | N | 85.6 | Confident | 85.2 | Confident | 59 Ų | 59 | 60.7 Ų | 60.7 | 32% | 0.316 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65.7 | -34.7 | 173.5 | -75.4 | -65.7 | 0 | 0 | 0 | 112.8 | N220 G221 E223 N229 | N220-N225 PolarHBondContact O-ND2 3.11Å; G221-N225 PolarHBondContact O-N 3.17Å; G221-N225 PolarHBondContact O-ND2 3.48Å; E223-N225 VanDerWaalsContact C-N 3.33Å; E223-N225 PolarHBondContact O-N 2.81Å; N225-N229 WeakPolarHBondContact O-CB 3.35Å; N225-N229 PolarHBondContact O-N 3.09Å; N225-N229 PolarHBondContact O-ND2 3.19Å |
| 226 | H | 89.2 | Confident | 85.7 | Confident | 130 Ų | 130 | 57.5 Ų | 57.5 | 60% | 0.602 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -67.8 | -41.7 | 175 | -178.4 | 61.1 | 0 | 0 | 0 | 112.1 | S222 E223 N229 T230 | S222-H226 WeakPolarHBondContact O-CB 3.33Å; S222-H226 PolarHBondContact O-N 2.89Å; E223-H226 WeakPolarHBondContact O-CB 3.37Å; E223-H226 PolarHBondContact O-N 3.48Å; E223-H226 VanDerWaalsContact O-N 3.08Å; H226-N229 PolarHBondContact O-N 2.89Å; H226-T230 WeakPolarHBondContact O-CB 3.35Å; H226-T230 PolarHBondContact O-N 2.89Å; H226-T230 PolarHBondContact O-OG1 3.41Å |
| 227 | I | 90.4 | Very high | 86.2 | Confident | 19 Ų | 19 | 59.4 Ų | 59.4 | 10% | 0.097 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -67.8 | -41.4 | 175.5 | -66.1 | 167.4 | 0 | 0 | 0 | 110.6 | Y206 L210 L213 E223 A224 N229 T230 L231 | Y206-I227 HydrophobicContact CD1-CG2 4.35Å; Y206-I227 VanDerWaalsContact O-CG2 3.28Å; Y206-I227 WeakPolarHBondContact O-CG2 3.47Å; L210-I227 HydrophobicContact CB-CG2 3.9Å; L213-I227 HydrophobicContact CD1-CD1 3.7Å; E223-I227 HydrophobicContact CG-CD1 4.18Å; E223-I227 WeakPolarHBondContact O-CG1 3.35Å; E223-I227 PolarHBondContact O-N 3.01Å; A224-I227 PolarHBondContact O-N 3.34Å; I227-N229 PolarHBondContact O-N 3.39Å; I227-T230 WeakPolarHBondContact O-CB 3.42Å; I227-T230 PolarHBondContact O-N 3.45Å; I227-L231 HydrophobicContact CG2-CD1 4.05Å; I227-L231 HydrophobicContact CG2-CG 4.43Å; I227-L231 WeakPolarHBondContact O-CB 3.27Å; I227-L231 WeakPolarHBondContact O-CG 3.45Å; I227-L231 PolarHBondContact O-N 2.85Å |
| 228 | A | 89.6 | Confident | 87.1 | Confident | 12 Ų | 12 | 56.2 Ų | 56.2 | 10% | 0.099 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.3 | -44.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | I157 L210 A224 T230 L231 S232 | I157-A228 HydrophobicContact CG2-CB 3.98Å; I157-A228 WeakPolarHBondContact CG2-O 3.49Å; L210-A228 HydrophobicContact CD2-CB 4.19Å; A224-A228 WeakPolarHBondContact O-CB 3.34Å; A224-A228 PolarHBondContact O-N 3.47Å; A228-T230 VanDerWaalsContact C-N 3.34Å; A228-T230 PolarHBondContact O-N 2.92Å; A228-L231 PolarHBondContact O-N 3.08Å; A228-S232 WeakPolarHBondContact O-CB 3.19Å; A228-S232 PolarHBondContact O-N 3.39Å |
| 229 | N | 90.5 | Very high | 87.9 | Confident | 107 Ų | 107 | 51.5 Ų | 51.5 | 57% | 0.572 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -62.8 | -39.3 | 173.3 | -77.5 | -57.2 | 0 | 0 | 0 | 112.3 | N225 H226 I227 S232 T233 | N225-N229 WeakPolarHBondContact O-CB 3.35Å; N225-N229 PolarHBondContact O-N 3.09Å; N225-N229 PolarHBondContact O-ND2 3.19Å; H226-N229 PolarHBondContact O-N 2.89Å; I227-N229 PolarHBondContact O-N 3.39Å; N229-S232 PolarHBondContact O-N 2.96Å; N229-T233 WeakPolarHBondContact O-CG2 3.39Å; N229-T233 PolarHBondContact O-N 3.06Å; N229-T233 PolarHBondContact O-OG1 3.48Å |
| 230 | T | 92.3 | Very high | 88.9 | Confident | 24 Ų | 24 | 59.2 Ų | 59.2 | 15% | 0.147 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.1 | -43.8 | 176.5 | -59.6 | 0 | 0 | 0 | 0 | 111.9 | Y206 H226 I227 A228 T233 K234 | Y206-T230 HydrophobicContact CD1-CG2 4.19Å; Y206-T230 HydrophobicContact CE1-CG2 3.99Å; Y206-T230 HydrophobicContact CE2-CG2 4.37Å; Y206-T230 HydrophobicContact CG-CG2 4.46Å; H226-T230 WeakPolarHBondContact O-CB 3.35Å; H226-T230 PolarHBondContact O-N 2.89Å; H226-T230 PolarHBondContact O-OG1 3.41Å; I227-T230 WeakPolarHBondContact O-CB 3.42Å; I227-T230 PolarHBondContact O-N 3.45Å; A228-T230 VanDerWaalsContact C-N 3.34Å; A228-T230 PolarHBondContact O-N 2.92Å; T230-T233 PolarHBondContact O-N 3.34Å; T230-T233 PolarHBondContact O-OG1 3.18Å; T230-K234 HydrophobicContact CG2-CD 4.22Å; T230-K234 PolarHBondContact O-N 3.35Å |
| 231 | L | 91.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.8 | -47.6 | 172.8 | -78.6 | 166.2 | 0 | 0 | 0 | 111.4 | I157 L203 A207 L210 I227 A228 T233 K234 L235 | I157-L231 HydrophobicContact CD1-CB 4.03Å; I157-L231 HydrophobicContact CG1-CB 4.39Å; I157-L231 HydrophobicContact CG2-CB 4.15Å; L203-L231 HydrophobicContact CD2-CD2 3.81Å; L203-L231 WeakPolarHBondContact O-CD2 3.21Å; A207-L231 HydrophobicContact CB-CD1 4.42Å; A207-L231 HydrophobicContact CB-CD2 4.09Å; L210-L231 HydrophobicContact CB-CD1 3.98Å; L210-L231 HydrophobicContact CD2-CD1 3.58Å; L210-L231 HydrophobicContact CG-CD1 4.42Å; I227-L231 HydrophobicContact CG2-CD1 4.05Å; I227-L231 HydrophobicContact CG2-CG 4.43Å; I227-L231 WeakPolarHBondContact O-CB 3.27Å; I227-L231 WeakPolarHBondContact O-CG 3.45Å; I227-L231 PolarHBondContact O-N 2.85Å; A228-L231 PolarHBondContact O-N 3.08Å; L231-T233 PolarHBondContact O-N 3.4Å; L231-K234 PolarHBondContact O-N 2.9Å; L231-L235 WeakPolarHBondContact O-CB 3.35Å; L231-L235 PolarHBondContact O-N 3.08Å |
| 232 | S | 92 | Very high | 90 | Very high | 33 Ų | 33 | 54.5 Ų | 54.5 | 23% | 0.231 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.9 | -43.4 | 178.4 | -176.1 | 0 | 0 | 0 | 0 | 112.3 | A228 N229 N236 | A228-S232 WeakPolarHBondContact O-CB 3.19Å; A228-S232 PolarHBondContact O-N 3.39Å; N229-S232 PolarHBondContact O-N 2.96Å; S232-N236 WeakPolarHBondContact O-CB 3.27Å; S232-N236 PolarHBondContact O-N 2.96Å; S232-N236 PolarHBondContact O-ND2 3.43Å |
| 233 | T | 92.8 | Very high | 90.1 | Very high | 91 Ų | 91 | 54.7 Ų | 54.7 | 56% | 0.558 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -67.4 | -41.3 | 177.4 | 55.8 | 0 | 0 | 0 | 0 | 112.7 | N229 T230 L231 N236 Q237 | N229-T233 WeakPolarHBondContact O-CG2 3.39Å; N229-T233 PolarHBondContact O-N 3.06Å; N229-T233 PolarHBondContact O-OG1 3.48Å; T230-T233 PolarHBondContact O-N 3.34Å; T230-T233 PolarHBondContact O-OG1 3.18Å; L231-T233 PolarHBondContact O-N 3.4Å; T233-N236 PolarHBondContact O-N 3.1Å; T233-Q237 PolarHBondContact O-N 2.98Å |
| 234 | K | 93.9 | Very high | 89.7 | Confident | 36 Ų | 36 | 52.7 Ų | 52.7 | 16% | 0.157 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -69.1 | -35.8 | 176.3 | -75.1 | 179.6 | 177 | -73.6 | 0 | 113.1 | L199 E202 L203 Y206 T230 L231 N236 Q237 L238 | L199-K234 HydrophobicContact CD1-CB 4.02Å; L199-K234 HydrophobicContact CD1-CD 4.34Å; L199-K234 HydrophobicContact CD1-CG 4.07Å; E202-K234 WeakPolarHBondContact OE2-CE 3.07Å; E202-K234 IonicContact OE2-NZ 3.88Å; E202-K234 PolarHBondContact OE2-NZ 2.99Å; L203-K234 HydrophobicContact CD2-CB 3.52Å; L203-K234 HydrophobicContact CG-CB 3.99Å; Y206-K234 HydrophobicContact CD2-CD 4.01Å; Y206-K234 HydrophobicContact CE2-CD 3.93Å; T230-K234 HydrophobicContact CG2-CD 4.22Å; T230-K234 PolarHBondContact O-N 3.35Å; L231-K234 PolarHBondContact O-N 2.9Å; K234-N236 VanDerWaalsContact C-N 3.34Å; K234-Q237 WeakPolarHBondContact O-CB 3.42Å; K234-Q237 PolarHBondContact O-N 2.69Å; K234-L238 PolarHBondContact O-N 2.89Å |
| 235 | L | 93.6 | Very high | 89.3 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.9 | -37.1 | 175.4 | -172.7 | 63.9 | 0 | 0 | 0 | 111.3 | L150 V153 I157 V176 L203 L231 L238 S239 | L150-L235 HydrophobicContact CD1-CD1 3.7Å; L150-L235 HydrophobicContact CD1-CD2 4.08Å; L150-L235 HydrophobicContact CD1-CG 3.67Å; V153-L235 HydrophobicContact CB-CD2 4.36Å; V153-L235 HydrophobicContact CG1-CD2 3.76Å; I157-L235 HydrophobicContact CD1-CD2 3.79Å; V176-L235 HydrophobicContact CG1-CD1 4.17Å; L203-L235 HydrophobicContact CD2-CB 4.39Å; L231-L235 WeakPolarHBondContact O-CB 3.35Å; L231-L235 PolarHBondContact O-N 3.08Å; L235-L238 HydrophobicContact CD1-CD2 4.49Å; L235-L238 PolarHBondContact O-N 3.45Å; L235-S239 WeakPolarHBondContact O-CB 3.44Å; L235-S239 PolarHBondContact O-N 3.27Å |
| 236 | N | 92 | Very high | 88.5 | Confident | 78 Ų | 78 | 51.3 Ų | 51.3 | 42% | 0.417 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66.2 | -36.9 | 170.3 | -85.4 | -83.3 | 0 | 0 | 0 | 112.7 | S232 T233 K234 R240 | S232-N236 WeakPolarHBondContact O-CB 3.27Å; S232-N236 PolarHBondContact O-N 2.96Å; S232-N236 PolarHBondContact O-ND2 3.43Å; T233-N236 PolarHBondContact O-N 3.1Å; K234-N236 VanDerWaalsContact C-N 3.34Å; N236-R240 WeakPolarHBondContact O-CG 3.14Å; N236-R240 PolarHBondContact O-N 3.48Å; N236-R240 VanDerWaalsContact O-N 3.15Å |
| 237 | Q | 92.2 | Very high | 87.2 | Confident | 95 Ų | 95 | 48.6 Ų | 48.6 | 44% | 0.444 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.3 | -42.1 | 172.5 | -177.4 | -176.4 | -9.6 | 0 | 0 | 111.5 | L199 T233 K234 R240 L241 | L199-Q237 HydrophobicContact CD2-CB 3.97Å; L199-Q237 HydrophobicContact CD2-CG 3.72Å; T233-Q237 PolarHBondContact O-N 2.98Å; K234-Q237 WeakPolarHBondContact O-CB 3.42Å; K234-Q237 PolarHBondContact O-N 2.69Å; Q237-R240 PolarHBondContact O-N 3.42Å; Q237-L241 PolarHBondContact O-N 3.05Å |
| 238 | L | 92.9 | Very high | 85.3 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.7 | -45.7 | 176 | -176.8 | 63.7 | 0 | 0 | 0 | 111.1 | F146 L177 A180 I196 L199 L203 K234 L235 R240 L241 C242 | F146-L238 HydrophobicContact CE2-CD2 3.78Å; F146-L238 HydrophobicContact CE2-CG 3.89Å; F146-L238 HydrophobicContact CZ-CD2 4.36Å; F146-L238 HydrophobicContact CZ-CG 4.1Å; L177-L238 HydrophobicContact CD2-CD2 3.9Å; A180-L238 HydrophobicContact CB-CD1 4.08Å; A180-L238 HydrophobicContact CB-CD2 4Å; A180-L238 HydrophobicContact CB-CG 4.28Å; I196-L238 HydrophobicContact CB-CD1 4.4Å; I196-L238 HydrophobicContact CG1-CD1 4.36Å; I196-L238 HydrophobicContact CG2-CD1 3.88Å; L199-L238 HydrophobicContact CD2-CB 3.84Å; L199-L238 HydrophobicContact CD2-CD1 4.27Å; L199-L238 HydrophobicContact CG-CB 4.39Å; L203-L238 HydrophobicContact CD1-CB 4.03Å; L203-L238 HydrophobicContact CD1-CD2 3.61Å; L203-L238 HydrophobicContact CD1-CG 4.39Å; K234-L238 PolarHBondContact O-N 2.89Å; L235-L238 HydrophobicContact CD1-CD2 4.49Å; L235-L238 PolarHBondContact O-N 3.45Å; L238-R240 VanDerWaalsContact C-N 3.29Å; L238-R240 PolarHBondContact O-N 3.16Å; L238-L241 PolarHBondContact O-N 2.96Å; L238-C242 WeakPolarHBondContact O-CB 3.31Å; L238-C242 PolarHBondContact O-N 2.89Å; L238-C242 PolarHBondContact O-SG 3.38Å; L238-C242 VanDerWaalsContact O-SG 3.35Å |
| 239 | S | 91.9 | Very high | 83.1 | Confident | 26 Ų | 26 | 59.5 Ų | 59.5 | 18% | 0.182 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.1 | -39.1 | 176.3 | -178.2 | 0 | 0 | 0 | 0 | 112.9 | L150 L235 K243 | L150-S239 WeakPolarHBondContact CD2-OG 3.31Å; L235-S239 WeakPolarHBondContact O-CB 3.44Å; L235-S239 PolarHBondContact O-N 3.27Å; S239-K243 VanDerWaalsContact O-CB 3.25Å; S239-K243 WeakPolarHBondContact O-CB 3.29Å; S239-K243 PolarHBondContact O-N 3.41Å |
| 240 | R | 90.2 | Very high | 80.4 | Confident | 172 Ų | 172 | 60 Ų | 60 | 65% | 0.649 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -63.7 | -53.3 | 171.9 | -68.6 | 174 | -166.6 | 176.8 | 4.4 | 111.6 | N236 Q237 L238 C242 K243 D244 | N236-R240 WeakPolarHBondContact O-CG 3.14Å; N236-R240 PolarHBondContact O-N 3.48Å; N236-R240 VanDerWaalsContact O-N 3.15Å; Q237-R240 PolarHBondContact O-N 3.42Å; L238-R240 VanDerWaalsContact C-N 3.29Å; L238-R240 PolarHBondContact O-N 3.16Å; R240-C242 VanDerWaalsContact C-N 3.32Å; R240-C242 PolarHBondContact O-N 3.11Å; R240-K243 CarbonylContact O-C 3.52Å; R240-K243 WeakPolarHBondContact O-CA 3.45Å; R240-K243 WeakPolarHBondContact O-CB 3.46Å; R240-K243 PolarHBondContact O-N 2.86Å; R240-D244 PolarHBondContact O-N 3.4Å |
| 241 | L | 87.9 | Confident | 77.4 | Confident | 28 Ų | 28 | 64.8 Ų | 64.8 | 15% | 0.147 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.4 | -40.7 | -179.4 | -68.7 | 174.8 | 0 | 0 | 0 | 112.8 | A195 I196 L199 Q237 L238 K243 D244 L245 | A195-L241 HydrophobicContact CB-CD1 4.09Å; I196-L241 HydrophobicContact CD1-CB 4.08Å; I196-L241 HydrophobicContact CG1-CB 3.61Å; I196-L241 HydrophobicContact CG1-CD1 4.24Å; L199-L241 HydrophobicContact CD2-CD1 4.01Å; Q237-L241 PolarHBondContact O-N 3.05Å; L238-L241 PolarHBondContact O-N 2.96Å; L241-K243 VanDerWaalsContact C-N 3.33Å; L241-D244 PolarHBondContact O-N 2.96Å; L241-L245 WeakPolarHBondContact O-CB 3.32Å; L241-L245 PolarHBondContact O-N 3.15Å |
| 242 | C | 85.8 | Confident | 74.4 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -67.5 | -31.8 | 174.8 | -67.7 | 0 | 0 | 0 | 0 | 112.7 | K143 F146 L183 L238 R240 S246 | K143-C242 HydrophobicContact CD-CB 4.3Å; K143-C242 WeakPolarHBondContact CE-O 3.47Å; F146-C242 HydrophobicContact CE1-CB 4.29Å; F146-C242 HydrophobicContact CZ-CB 4.38Å; L183-C242 HydrophobicContact CD2-CB 3.7Å; L238-C242 WeakPolarHBondContact O-CB 3.31Å; L238-C242 PolarHBondContact O-N 2.89Å; L238-C242 PolarHBondContact O-SG 3.38Å; L238-C242 VanDerWaalsContact O-SG 3.35Å; R240-C242 VanDerWaalsContact C-N 3.32Å; R240-C242 PolarHBondContact O-N 3.11Å; C242-S246 WeakPolarHBondContact O-CB 3.43Å; C242-S246 PolarHBondContact O-N 2.9Å |
| 243 | K | 85 | Confident | 71.2 | Confident | 114 Ų | 114 | 71 Ų | 71 | 50% | 0.496 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -72.7 | -43.8 | 172.5 | -178.2 | 172.8 | 177.3 | 174.7 | 0 | 111.6 | S239 R240 L241 L245 S246 L247 | S239-K243 VanDerWaalsContact O-CB 3.25Å; S239-K243 WeakPolarHBondContact O-CB 3.29Å; S239-K243 PolarHBondContact O-N 3.41Å; R240-K243 CarbonylContact O-C 3.52Å; R240-K243 WeakPolarHBondContact O-CA 3.45Å; R240-K243 WeakPolarHBondContact O-CB 3.46Å; R240-K243 PolarHBondContact O-N 2.86Å; L241-K243 VanDerWaalsContact C-N 3.33Å; K243-L245 VanDerWaalsContact C-N 3.31Å; K243-L245 PolarHBondContact O-N 2.85Å; K243-S246 CarbonylContact O-C 3.57Å; K243-S246 PolarHBondContact O-N 3.22Å; K243-S246 VanDerWaalsContact O-N 3.14Å; K243-L247 HydrophobicContact CD-CD1 4.26Å; K243-L247 HydrophobicContact CG-CD1 3.73Å; K243-L247 HydrophobicContact CG-CG 4.12Å; K243-L247 WeakPolarHBondContact O-CB 3.48Å; K243-L247 WeakPolarHBondContact O-CG 3.35Å; K243-L247 PolarHBondContact O-N 3.01Å |
| 244 | D | 78.9 | Confident | 68 | Low | 81 Ų | 81 | 69.5 Ų | 69.5 | 43% | 0.433 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -67.1 | -32.6 | 179.8 | -60.4 | -23.1 | 0 | 0 | 0 | 111.8 | R240 L241 | R240-D244 PolarHBondContact O-N 3.4Å; L241-D244 PolarHBondContact O-N 2.96Å |
| 245 | L | 76.2 | Confident | 64.8 | Low | 7 Ų | 7 | 74 Ų | 74 | 4% | 0.037 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -67.3 | -38.4 | 171.7 | -162.3 | 74.6 | 0 | 0 | 0 | 111.8 | L183 N187 S190 N192 I196 L241 K243 | L183-L245 HydrophobicContact CD2-CB 4.22Å; L183-L245 HydrophobicContact CD2-CD2 3.62Å; L183-L245 HydrophobicContact CD2-CG 4.49Å; L183-L245 HydrophobicContact CG-CD2 4.06Å; L183-L245 VanDerWaalsContact O-CD2 3.27Å; L183-L245 WeakPolarHBondContact O-CD2 3.4Å; N187-L245 HydrophobicContact CB-CD1 3.99Å; N187-L245 HydrophobicContact CB-CD2 4.07Å; N187-L245 HydrophobicContact CB-CG 4.26Å; S190-L245 VanDerWaalsContact OG-CD1 3.26Å; S190-L245 WeakPolarHBondContact OG-CD1 3.11Å; N192-L245 HydrophobicContact CB-CD1 4.06Å; I196-L245 HydrophobicContact CD1-CB 4.41Å; I196-L245 HydrophobicContact CD1-CD2 3.96Å; L241-L245 WeakPolarHBondContact O-CB 3.32Å; L241-L245 PolarHBondContact O-N 3.15Å; K243-L245 VanDerWaalsContact C-N 3.31Å; K243-L245 PolarHBondContact O-N 2.85Å |
| 246 | S | 70 | Confident | 61.6 | Low | 24 Ų | 24 | 77.2 Ų | 77.2 | 17% | 0.168 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -85.5 | -5.2 | 179.8 | -178.1 | 0 | 0 | 0 | 0 | 114.6 | C242 K243 | C242-S246 WeakPolarHBondContact O-CB 3.43Å; C242-S246 PolarHBondContact O-N 2.9Å; K243-S246 CarbonylContact O-C 3.57Å; K243-S246 PolarHBondContact O-N 3.22Å; K243-S246 VanDerWaalsContact O-N 3.14Å |
| 247 | L | 60.5 | Low | 58.8 | Low | 73 Ų | 73 | 78.7 Ų | 78.7 | 38% | 0.382 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | 5 | 179.5 | -79.9 | -174.3 | 0 | 0 | 0 | 113.4 | K243 D249 N250 | K243-L247 HydrophobicContact CD-CD1 4.26Å; K243-L247 HydrophobicContact CG-CD1 3.73Å; K243-L247 HydrophobicContact CG-CG 4.12Å; K243-L247 WeakPolarHBondContact O-CB 3.48Å; K243-L247 WeakPolarHBondContact O-CG 3.35Å; K243-L247 PolarHBondContact O-N 3.01Å; L247-D249 PolarHBondContact O-N 3.39Å; L247-N250 PolarHBondContact O-N 3.37Å; L247-N250 VanDerWaalsContact O-N 3.07Å |
| 248 | R | 51 | Low | 56.1 | Low | 157 Ų | 157 | 81.4 Ų | 81.4 | 59% | 0.592 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -11.1 | -162.6 | -158.8 | 167.7 | 175.6 | 175.8 | -2.7 | 114.7 | S190 N250 | S190-R248 PolarHBondContact OG-NH1 3.23Å; R248-N250 VanDerWaalsContact C-N 3.34Å |
| 249 | D | 43.8 | Very low | 53.2 | Low | 102 Ų | 102 | 88.3 Ų | 88.3 | 55% | 0.545 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -19.1 | 172.3 | -56.9 | -46.8 | 0 | 0 | 0 | 114.5 | L247 | L247-D249 PolarHBondContact O-N 3.39Š|
| 250 | N | 32.8 | Very low | 50.6 | Low | 119 Ų | 119 | 91.6 Ų | 91.6 | 64% | 0.636 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -120.1 | -4.6 | -158.6 | -89.7 | -60.3 | 0 | 0 | 0 | 118 | L247 R248 | L247-N250 PolarHBondContact O-N 3.37Å; L247-N250 VanDerWaalsContact O-N 3.07Å; R248-N250 VanDerWaalsContact C-N 3.34Å |
| 251 | T | 29 | Very low | 48.1 | Very low | 123 Ų | 123 | 86.9 Ų | 86.9 | 76% | 0.755 | 51% | 0.511 | S | S | * | . | trans | -135.5 | 17.1 | -175.3 | 54 | 0 | 0 | 0 | 0 | 115.9 | G253 | T251-G253 PolarHBondContact O-N 3.01Š| ||
| 252 | G | 29.4 | Very low | 45.9 | Very low | 73 Ų | 73 | 88.5 Ų | 88.5 | 75% | 0.753 | 52% | 0.522 | S | S | * | . | trans | -73 | 84.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | G254 | G252-G254 PolarHBondContact O-N 3.25Š| ||
| 253 | G | 25.4 | Very low | 43.8 | Very low | 91 Ų | 91 | 92.3 Ų | 92.3 | 94% | 0.938 | 55% | 0.549 | S | S | * | . | trans | -66.9 | 82.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | T251 | T251-G253 PolarHBondContact O-N 3.01Š| ||
| 254 | G | 26.1 | Very low | 41.9 | Very low | 59 Ų | 59 | 87.2 Ų | 87.2 | 61% | 0.608 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -170.8 | 76.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | G252 | G252-G254 PolarHBondContact O-N 3.25Š|
| 255 | V | 26.7 | Very low | 40.5 | Very low | 131 Ų | 131 | 85.7 Ų | 85.7 | 79% | 0.794 | 52% | 0.521 | S | S | * | . | trans | 59.2 | 106.6 | 160.8 | -170.6 | 0 | 0 | 0 | 0 | 117.4 | D257 | V255-D257 PolarHBondContact O-N 3.09Š| ||
| 256 | G | 26.5 | Very low | 39.4 | Very low | 69 Ų | 69 | 86.8 Ų | 86.8 | 71% | 0.711 | 53% | 0.527 | S | S | * | . | S | Bend | trans | 75.8 | -71.2 | 140.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||
| 257 | D | 32.9 | Very low | 38.9 | Very low | 108 Ų | 108 | 87.6 Ų | 87.6 | 58% | 0.578 | 53% | 0.527 | S | S | * | . | trans | -105.1 | -8.5 | -135.4 | -57 | -46.3 | 0 | 0 | 0 | 115.7 | V255 | V255-D257 PolarHBondContact O-N 3.09Š| ||
| 258 | Q | 35.2 | Very low | 39.1 | Very low | 152 Ų | 152 | 86.5 Ų | 86.5 | 71% | 0.71 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -89.5 | -6 | -166.8 | -63.8 | -169.1 | -6.5 | 0 | 0 | 116.2 | H260 H261 | Q258-H260 PolarHBondContact O-N 3.37Å; Q258-H261 PolarHBondContact O-CD2 3.32Å; Q258-H261 VanDerWaalsContact O-CD2 3.25Å |
| 259 | Q | 32.1 | Very low | 40 | Very low | 146 Ų | 146 | 82.4 Ų | 82.4 | 68% | 0.682 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -67 | -18.1 | 179.1 | -87.2 | -178.3 | -40.6 | 0 | 0 | 113.9 | ||
| 260 | H | 37.2 | Very low | 41.2 | Very low | 94 Ų | 94 | 78.7 Ų | 78.7 | 44% | 0.435 | 49% | 0.491 | S | S | . | . | G | 310 helix | trans | -80.3 | -12.2 | -178 | -70.5 | -53.7 | 0 | 0 | 0 | 115.2 | Q258 N921 | Q258-H260 PolarHBondContact O-N 3.37Å; H260-N921 PolarHBondContact CD2-OD1 3.49Å; H260-N921 VanDerWaalsContact CD2-OD1 3.23Å |
| 261 | H | 37.3 | Very low | 42.9 | Very low | 73 Ų | 73 | 75.6 Ų | 75.6 | 34% | 0.338 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -27.5 | -172.7 | -54.4 | -44.6 | 0 | 0 | 0 | 114.2 | Q258 E920 | Q258-H261 PolarHBondContact O-CD2 3.32Å; Q258-H261 VanDerWaalsContact O-CD2 3.25Å; H261-E920 IonicContact CE1-OE1 2.76Å; H261-E920 PolarHBondContact CE1-OE1 3.23Å; H261-E920 VanDerWaalsContact CE1-OE1 3.24Å; H261-E920 IonicContact ND1-OE1 2.9Å |
| 262 | T | 41.5 | Very low | 45 | Very low | 62 Ų | 62 | 70.2 Ų | 70.2 | 38% | 0.38 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -40.5 | -176.7 | 48.9 | 0 | 0 | 0 | 0 | 112.5 | N264 R268 | T262-N264 VanDerWaalsContact C-N 3.29Å; T262-N264 PolarHBondContact O-N 3.31Å; T262-R268 VanDerWaalsContact O-CZ 3.25Å; T262-R268 PolarHBondContact O-NE 3.47Å; T262-R268 PolarHBondContact O-NH2 3.01Å |
| 263 | C | 41.9 | Very low | 47.5 | Very low | 81 Ų | 81 | 67.2 Ų | 67.2 | 55% | 0.547 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -79 | 3.3 | -169.5 | -54.2 | 0 | 0 | 0 | 0 | 115.6 | ||
| 264 | N | 45.3 | Very low | 50.1 | Low | 7 Ų | 7 | 64 Ų | 64 | 4% | 0.037 | 37% | 0.365 | C | S | . | . | trans | -120.9 | 108.2 | -176.8 | -172.5 | -18.3 | 0 | 0 | 0 | 111.9 | T262 L266 F267 Q1067 | T262-N264 VanDerWaalsContact C-N 3.29Å; T262-N264 PolarHBondContact O-N 3.31Å; N264-L266 PolarHBondContact O-N 2.68Å; N264-L266 WeakPolarHBondContact OD1-CB 3.45Å; N264-L266 PolarHBondContact OD1-N 2.82Å; N264-L266 VanDerWaalsContact OD1-N 3.1Å; N264-F267 HydrophobicContact CB-CD2 3.97Å; N264-F267 WeakPolarHBondContact ND2-CE2 3.43Å; N264-F267 PolarHBondContact O-N 2.87Å; N264-Q1067 VanDerWaalsContact CG-NE2 3.29Å; N264-Q1067 PolarHBondContact OD1-NE2 2.83Å | ||
| 265 | P | 49.9 | Very low | 52.4 | Low | 48 Ų | 48 | 62 Ų | 62 | 31% | 0.312 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -55.8 | -24 | -179.4 | -28.5 | 36.1 | 0 | 0 | 0 | 115.3 | F267 R268 | P265-F267 PolarHBondContact O-N 3.05Å; P265-R268 PolarHBondContact O-N 2.59Å |
| 266 | L | 52.2 | Low | 55.1 | Low | 30 Ų | 30 | 57 Ų | 57 | 16% | 0.157 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -64.5 | -25.7 | 176.1 | -69 | 169 | 0 | 0 | 0 | 113.1 | N264 L291 A926 | N264-L266 PolarHBondContact O-N 2.68Å; N264-L266 WeakPolarHBondContact OD1-CB 3.45Å; N264-L266 PolarHBondContact OD1-N 2.82Å; N264-L266 VanDerWaalsContact OD1-N 3.1Å; L266-L291 HydrophobicContact CB-CD2 4.35Å; L266-L291 WeakPolarHBondContact O-CD2 3.38Å; L266-A926 HydrophobicContact CD1-CB 3.82Å |
| 267 | F | 61 | Low | 57.8 | Low | 42 Ų | 42 | 54.1 Ų | 54.1 | 18% | 0.184 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -99.2 | -2.8 | -177.2 | -69.4 | -89.6 | 0 | 0 | 0 | 113.8 | N264 P265 P290 L291 V294 | N264-F267 HydrophobicContact CB-CD2 3.97Å; N264-F267 WeakPolarHBondContact ND2-CE2 3.43Å; N264-F267 PolarHBondContact O-N 2.87Å; P265-F267 PolarHBondContact O-N 3.05Å; F267-P290 HydrophobicContact CE1-CB 4.1Å; F267-P290 HydrophobicContact CZ-CB 4.07Å; F267-L291 HydrophobicContact CD1-CD2 4.17Å; F267-L291 HydrophobicContact CE1-CD2 4.04Å; F267-L291 HydrophobicContact CZ-CD2 4.26Å; F267-V294 WeakPolarHBondContact O-CG2 3.43Å |
| 268 | R | 63.1 | Low | 60 | Low | 50 Ų | 50 | 51.9 Ų | 51.9 | 19% | 0.189 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -85.8 | 142.7 | 176.7 | -63.3 | -178.7 | 175.7 | -151.1 | -5.1 | 110.8 | D133 T262 P265 Q279 | D133-R268 IonicContact OD1-NH1 2.73Å; D133-R268 PolarHBondContact OD1-NH1 2.93Å; D133-R268 IonicContact OD2-CZ 2.73Å; D133-R268 IonicContact OD2-NH1 3.37Å; D133-R268 PolarHBondContact OD2-NH1 3.23Å; D133-R268 IonicContact OD2-NH2 3.31Å; D133-R268 PolarHBondContact OD2-NH2 2.86Å; T262-R268 VanDerWaalsContact O-CZ 3.25Å; T262-R268 PolarHBondContact O-NE 3.47Å; T262-R268 PolarHBondContact O-NH2 3.01Å; P265-R268 PolarHBondContact O-N 2.59Å; R268-Q279 PolarHBondContact O-NE2 3.08Å |
| 269 | L | 71.2 | Confident | 62 | Low | 70 Ų | 70 | 46.5 Ų | 46.5 | 37% | 0.366 | 25% | 0.245 | S | C | . | . | P | Polyproline II helix | trans | -69 | 130.8 | 171.9 | -175 | 68.6 | 0 | 0 | 0 | 109.7 | K276 E297 A298 | L269-K276 HydrophobicContact CD1-CG 4.11Å; L269-K276 HydrophobicContact CG-CG 4.44Å; L269-E297 HydrophobicContact CD2-CG 4.43Å; L269-A298 HydrophobicContact CD1-CB 3.81Å |
| 270 | A | 68.5 | Low | 64.6 | Low | 25 Ų | 25 | 39.5 Ų | 39.5 | 21% | 0.207 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -67.2 | 145.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | G275 K276 | A270-G275 VanDerWaalsContact CB-C 3.46Å; A270-K276 HydrophobicContact CB-CG 4.45Å; A270-K276 WeakPolarHBondContact O-CE 3.17Å; A270-K276 WeakPolarHBondContact O-CG 3.25Å |
| 271 | R | 68.8 | Low | 66.8 | Low | 53 Ų | 53 | 36.4 Ų | 36.4 | 20% | 0.2 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -64.2 | -47.1 | -178.9 | -63 | -176.6 | -172.6 | 173.6 | 1.2 | 112.8 | L131 F132 D134 D457 | L131-R271 PolarHBondContact O-NH2 2.94Å; F132-R271 VanDerWaalsContact CA-NH2 3.33Å; F132-R271 PolarHBondContact O-NH2 2.76Å; D134-R271 IonicContact OD2-CZ 3.56Å; D134-R271 IonicContact OD2-NH1 2.73Å; D134-R271 PolarHBondContact OD2-NH1 2.97Å; D134-R271 IonicContact OD2-NH2 2.61Å; D134-R271 PolarHBondContact OD2-NH2 2.81Å; R271-D457 IonicContact NH1-OD1 3.57Å; R271-D457 IonicContact NH1-OD2 2.85Å; R271-D457 PolarHBondContact NH1-OD2 3.33Å |
| 272 | T | 72.7 | Confident | 68.7 | Low | 11 Ų | 11 | 36.7 Ų | 36.7 | 7% | 0.067 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -92.9 | 157.9 | -171.7 | 61.2 | 0 | 0 | 0 | 0 | 113.8 | E274 G275 K276 A446 A447 L450 | T272-E274 VanDerWaalsContact C-N 3.32Å; T272-E274 PolarHBondContact O-N 2.89Å; T272-G275 PolarHBondContact O-N 3.45Å; T272-G275 PolarHBondContact OG1-N 3.39Å; T272-K276 WeakPolarHBondContact O-CG 3.37Å; T272-K276 PolarHBondContact O-N 3.31Å; T272-A446 VanDerWaalsContact CG2-O 3.23Å; T272-A446 WeakPolarHBondContact CG2-O 3.26Å; T272-A447 CarbonylContact C-O 3.4Å; T272-A447 VanDerWaalsContact CA-O 3.23Å; T272-A447 WeakPolarHBondContact CA-O 3.41Å; T272-A447 WeakPolarHBondContact CB-O 3.44Å; T272-L450 VanDerWaalsContact CG2-O 3.28Å; T272-L450 WeakPolarHBondContact CG2-O 3.44Å |
| 273 | L | 81.9 | Confident | 70.8 | Confident | 10 Ų | 10 | 33.9 Ų | 33.9 | 5% | 0.052 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65 | -33.9 | 178.7 | -58.3 | -170.8 | 0 | 0 | 0 | 112.2 | K276 L277 I309 W382 L385 A447 T448 | L273-K276 HydrophobicContact CD2-CD 4.11Å; L273-K276 PolarHBondContact O-N 2.85Å; L273-L277 WeakPolarHBondContact O-CB 3.45Å; L273-L277 PolarHBondContact O-N 2.79Å; L273-I309 HydrophobicContact CD1-CD1 3.61Å; L273-W382 HydrophobicContact CB-CZ3 4.06Å; L273-L385 HydrophobicContact CD1-CD1 3.85Å; L273-A447 PolarHBondContact N-O 3.43Å; L273-T448 HydrophobicContact CD1-CG2 4.1Å; L273-T448 PolarHBondContact N-O 2.91Å |
| 274 | E | 80.3 | Confident | 72.9 | Confident | 23 Ų | 23 | 30.4 Ų | 30.4 | 11% | 0.107 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.8 | -45.1 | 170.9 | -158.4 | -158.3 | 151.3 | 0 | 0 | 111.4 | T272 K276 L277 V278 W382 T448 S451 K758 | T272-E274 VanDerWaalsContact C-N 3.32Å; T272-E274 PolarHBondContact O-N 2.89Å; E274-K276 VanDerWaalsContact C-N 3.32Å; E274-K276 PolarHBondContact O-N 3.45Å; E274-L277 WeakPolarHBondContact O-CB 3.4Å; E274-L277 PolarHBondContact O-N 3.01Å; E274-V278 WeakPolarHBondContact O-CG2 3.31Å; E274-V278 PolarHBondContact O-N 2.76Å; E274-W382 HydrophobicContact CB-CH2 3.56Å; E274-W382 HydrophobicContact CB-CZ2 4.09Å; E274-W382 HydrophobicContact CB-CZ3 4.15Å; E274-W382 HydrophobicContact CG-CH2 3.89Å; E274-W382 HydrophobicContact CG-CZ2 3.88Å; E274-T448 PolarHBondContact N-O 2.73Å; E274-S451 WeakPolarHBondContact OE2-CB 3.23Å; E274-S451 PolarHBondContact OE2-OG 3Å; E274-K758 WeakPolarHBondContact OE1-CE 3.36Å; E274-K758 IonicContact OE1-NZ 2.7Å; E274-K758 PolarHBondContact OE1-NZ 2.96Å |
| 275 | G | 74.6 | Confident | 74.5 | Confident | 17 Ų | 17 | 32 Ų | 32 | 18% | 0.175 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.1 | -41.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A270 T272 V278 Q279 | A270-G275 VanDerWaalsContact CB-C 3.46Å; T272-G275 PolarHBondContact O-N 3.45Å; T272-G275 PolarHBondContact OG1-N 3.39Å; G275-V278 PolarHBondContact O-N 2.97Å; G275-Q279 WeakPolarHBondContact O-CG 3.25Å; G275-Q279 PolarHBondContact O-N 2.73Å |
| 276 | K | 82.1 | Confident | 75.9 | Confident | 26 Ų | 26 | 33 Ų | 33 | 11% | 0.113 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.4 | -39.4 | 174.4 | -67.3 | 169.4 | -170.8 | -176.8 | 0 | 111.6 | L269 A270 T272 L273 E274 V278 Q279 A280 A298 S301 L302 | L269-K276 HydrophobicContact CD1-CG 4.11Å; L269-K276 HydrophobicContact CG-CG 4.44Å; A270-K276 HydrophobicContact CB-CG 4.45Å; A270-K276 WeakPolarHBondContact O-CE 3.17Å; A270-K276 WeakPolarHBondContact O-CG 3.25Å; T272-K276 WeakPolarHBondContact O-CG 3.37Å; T272-K276 PolarHBondContact O-N 3.31Å; L273-K276 HydrophobicContact CD2-CD 4.11Å; L273-K276 PolarHBondContact O-N 2.85Å; E274-K276 VanDerWaalsContact C-N 3.32Å; E274-K276 PolarHBondContact O-N 3.45Å; K276-V278 PolarHBondContact O-N 3.05Å; K276-Q279 PolarHBondContact O-N 2.78Å; K276-A280 VanDerWaalsContact O-CB 3.31Å; K276-A280 WeakPolarHBondContact O-CB 3.31Å; K276-A280 PolarHBondContact O-N 2.97Å; K276-A298 HydrophobicContact CB-CB 4.16Å; K276-A298 WeakPolarHBondContact O-CB 3.19Å; K276-S301 PolarHBondContact NZ-OG 3.05Å; K276-L302 HydrophobicContact CB-CB 4.42Å |
| 277 | L | 85.1 | Confident | 77.5 | Confident | 9 Ų | 9 | 32.4 Ų | 32.4 | 5% | 0.047 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.9 | -47.3 | 174.5 | -179.1 | 63.4 | 0 | 0 | 0 | 111.1 | L273 E274 A280 Q281 L302 L378 W382 | L273-L277 WeakPolarHBondContact O-CB 3.45Å; L273-L277 PolarHBondContact O-N 2.79Å; E274-L277 WeakPolarHBondContact O-CB 3.4Å; E274-L277 PolarHBondContact O-N 3.01Å; L277-A280 PolarHBondContact O-N 3.05Å; L277-Q281 HydrophobicContact CD1-CG 4.32Å; L277-Q281 WeakPolarHBondContact O-CB 3.48Å; L277-Q281 WeakPolarHBondContact O-CG 3.5Å; L277-Q281 PolarHBondContact O-N 2.81Å; L277-Q281 PolarHBondContact O-OE1 3.02Å; L277-L302 HydrophobicContact CB-CD1 3.66Å; L277-L302 HydrophobicContact CD1-CD1 3.96Å; L277-L302 HydrophobicContact CG-CD1 4.39Å; L277-L378 HydrophobicContact CD1-CB 3.78Å; L277-L378 HydrophobicContact CD1-CD1 4.44Å; L277-L378 HydrophobicContact CD1-CD2 4.45Å; L277-L378 HydrophobicContact CD1-CG 4.46Å; L277-W382 HydrophobicContact CD2-CB 3.76Å; L277-W382 HydrophobicContact CD2-CD2 3.49Å; L277-W382 VanDerWaalsContact CD2-CD2 3.49Å; L277-W382 HydrophobicContact CD2-CE3 3.84Å; L277-W382 HydrophobicContact CD2-CG 3.41Å; L277-W382 VanDerWaalsContact CD2-CG 3.41Å |
| 278 | V | 77.9 | Confident | 78.4 | Confident | 61 Ų | 61 | 34.7 Ų | 34.7 | 37% | 0.37 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -63.3 | -41.7 | 177.1 | 173 | 0 | 0 | 0 | 0 | 111.6 | E274 G275 K276 Q281 R282 | E274-V278 WeakPolarHBondContact O-CG2 3.31Å; E274-V278 PolarHBondContact O-N 2.76Å; G275-V278 PolarHBondContact O-N 2.97Å; K276-V278 PolarHBondContact O-N 3.05Å; V278-Q281 PolarHBondContact O-N 3.19Å; V278-R282 VanDerWaalsContact O-CB 3.26Å; V278-R282 WeakPolarHBondContact O-CB 3.47Å; V278-R282 PolarHBondContact O-N 3.01Å |
| 279 | Q | 77.1 | Confident | 78.9 | Confident | 38 Ų | 38 | 32.8 Ų | 32.8 | 18% | 0.178 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.1 | -43.5 | 176.2 | -74.6 | -178.6 | -24.3 | 0 | 0 | 112.7 | R268 G275 K276 R282 W283 A298 | R268-Q279 PolarHBondContact O-NE2 3.08Å; G275-Q279 WeakPolarHBondContact O-CG 3.25Å; G275-Q279 PolarHBondContact O-N 2.73Å; K276-Q279 PolarHBondContact O-N 2.78Å; Q279-R282 PolarHBondContact O-N 3.23Å; Q279-W283 PolarHBondContact O-N 3.31Å; Q279-W283 VanDerWaalsContact O-N 3.11Å; Q279-A298 HydrophobicContact CB-CB 3.98Å |
| 280 | A | 86.9 | Confident | 78.8 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.6 | -51.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | K276 L277 R282 W283 L284 A298 L378 | K276-A280 VanDerWaalsContact O-CB 3.31Å; K276-A280 WeakPolarHBondContact O-CB 3.31Å; K276-A280 PolarHBondContact O-N 2.97Å; L277-A280 PolarHBondContact O-N 3.05Å; A280-R282 VanDerWaalsContact C-N 3.31Å; A280-R282 PolarHBondContact O-N 3.48Å; A280-W283 WeakPolarHBondContact O-CB 3.42Å; A280-W283 PolarHBondContact O-N 3.3Å; A280-W283 VanDerWaalsContact O-N 3.09Å; A280-L284 VanDerWaalsContact O-CG 3.3Å; A280-L284 WeakPolarHBondContact O-CG 3.47Å; A280-L284 PolarHBondContact O-N 2.92Å; A280-A298 HydrophobicContact CB-CB 4.2Å; A280-L378 HydrophobicContact CB-CD1 3.78Å |
| 281 | Q | 84.4 | Confident | 79 | Confident | 29 Ų | 29 | 32.4 Ų | 32.4 | 14% | 0.136 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61 | -36.8 | 178.4 | -71.4 | 162 | -17.2 | 0 | 0 | 112.8 | L277 V278 W283 L284 A285 V1120 | L277-Q281 HydrophobicContact CD1-CG 4.32Å; L277-Q281 WeakPolarHBondContact O-CB 3.48Å; L277-Q281 WeakPolarHBondContact O-CG 3.5Å; L277-Q281 PolarHBondContact O-N 2.81Å; L277-Q281 PolarHBondContact O-OE1 3.02Å; V278-Q281 PolarHBondContact O-N 3.19Å; Q281-W283 VanDerWaalsContact C-N 3.32Å; Q281-W283 PolarHBondContact O-N 3.09Å; Q281-L284 PolarHBondContact O-N 3.33Å; Q281-A285 PolarHBondContact O-N 3.12Å; Q281-V1120 HydrophobicContact CG-CG1 4.4Å; Q281-V1120 VanDerWaalsContact NE2-CG1 3.32Å |
| 282 | R | 76.8 | Confident | 79.5 | Confident | 79 Ų | 79 | 33.2 Ų | 33.2 | 30% | 0.298 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -64.7 | -34.8 | 175.1 | -173.3 | 172.1 | 178 | 177 | -5.1 | 112.4 | V278 Q279 A280 L291 A930 | V278-R282 VanDerWaalsContact O-CB 3.26Å; V278-R282 WeakPolarHBondContact O-CB 3.47Å; V278-R282 PolarHBondContact O-N 3.01Å; Q279-R282 PolarHBondContact O-N 3.23Å; A280-R282 VanDerWaalsContact C-N 3.31Å; A280-R282 PolarHBondContact O-N 3.48Å; R282-L291 HydrophobicContact CG-CD1 4.11Å; R282-A930 VanDerWaalsContact NH2-CB 3.26Å |
| 283 | W | 84.2 | Confident | 80 | Confident | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.008 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -72.6 | -38.2 | 168.9 | 168.5 | 49.5 | 0 | 0 | 0 | 112.6 | Q279 A280 Q281 A285 D286 P287 R292 L296 L351 F352 | Q279-W283 PolarHBondContact O-N 3.31Å; Q279-W283 VanDerWaalsContact O-N 3.11Å; A280-W283 WeakPolarHBondContact O-CB 3.42Å; A280-W283 PolarHBondContact O-N 3.3Å; A280-W283 VanDerWaalsContact O-N 3.09Å; Q281-W283 VanDerWaalsContact C-N 3.32Å; Q281-W283 PolarHBondContact O-N 3.09Å; W283-A285 PolarHBondContact O-N 2.76Å; W283-D286 CarbonylContact O-C 3.37Å; W283-D286 PolarHBondContact O-N 3.48Å; W283-P287 PolarHBondContact NE1-O 3.46Å; W283-P287 VanDerWaalsContact NE1-O 3.12Å; W283-P287 VanDerWaalsContact O-CA 3.3Å; W283-P287 WeakPolarHBondContact O-CA 3.41Å; W283-R292 VanDerWaalsContact CD1-CA 3.45Å; W283-L296 HydrophobicContact CH2-CB 4.24Å; W283-L296 HydrophobicContact CH2-CD1 4.09Å; W283-L296 HydrophobicContact CZ3-CB 4.28Å; W283-L296 HydrophobicContact CZ3-CD1 4.38Å; W283-L351 HydrophobicContact CH2-CB 4.41Å; W283-L351 HydrophobicContact CH2-CD2 4.21Å; W283-L351 HydrophobicContact CH2-CG 4.39Å; W283-L351 HydrophobicContact CZ2-CB 4.47Å; W283-L351 HydrophobicContact CZ2-CD2 4.11Å; W283-L351 HydrophobicContact CZ2-CG 4.09Å; W283-F352 HydrophobicContact CH2-CB 4.31Å; W283-F352 HydrophobicContact CZ2-CB 4.05Å; W283-F352 HydrophobicContact CZ2-CD2 4.35Å |
| 284 | L | 86.8 | Confident | 79.9 | Confident | 8 Ų | 8 | 38.3 Ų | 38.3 | 4% | 0.042 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.2 | -22 | 177.4 | -61.3 | 170.8 | 0 | 0 | 0 | 112.7 | A280 Q281 L351 A371 I374 S375 L378 | A280-L284 VanDerWaalsContact O-CG 3.3Å; A280-L284 WeakPolarHBondContact O-CG 3.47Å; A280-L284 PolarHBondContact O-N 2.92Å; Q281-L284 PolarHBondContact O-N 3.33Å; L284-L351 HydrophobicContact CD2-CD2 3.6Å; L284-A371 HydrophobicContact CB-CB 4.39Å; L284-A371 HydrophobicContact CD2-CB 4.28Å; L284-I374 HydrophobicContact CD1-CB 3.93Å; L284-I374 HydrophobicContact CD1-CG2 3.66Å; L284-I374 HydrophobicContact CD2-CB 3.94Å; L284-I374 HydrophobicContact CD2-CD1 3.68Å; L284-I374 HydrophobicContact CD2-CG1 4.44Å; L284-I374 HydrophobicContact CD2-CG2 4.04Å; L284-I374 HydrophobicContact CG-CG2 4.49Å; L284-S375 WeakPolarHBondContact CD1-OG 3.34Å; L284-L378 HydrophobicContact CD1-CD1 3.62Å |
| 285 | A | 79.9 | Confident | 80 | Confident | 42 Ų | 42 | 37.2 Ų | 37.2 | 35% | 0.347 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -20.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q281 W283 | Q281-A285 PolarHBondContact O-N 3.12Å; W283-A285 PolarHBondContact O-N 2.76Å |
| 286 | D | 79 | Confident | 80.8 | Confident | 68 Ų | 68 | 36.9 Ų | 36.9 | 36% | 0.364 | 19% | 0.187 | S | C | . | . | trans | -146 | 83 | 171.5 | 177.8 | 6.3 | 0 | 0 | 0 | 110.4 | W283 R288 G289 | W283-D286 CarbonylContact O-C 3.37Å; W283-D286 PolarHBondContact O-N 3.48Å; D286-R288 PolarHBondContact O-N 2.61Å; D286-R288 PolarHBondContact OD1-N 2.73Å; D286-G289 VanDerWaalsContact CG-N 3.34Å; D286-G289 PolarHBondContact O-N 2.97Å; D286-G289 PolarHBondContact OD1-N 3.09Å; D286-G289 VanDerWaalsContact OD2-CA 3.23Å; D286-G289 WeakPolarHBondContact OD2-CA 3.41Å; D286-G289 PolarHBondContact OD2-N 3.39Å | ||
| 287 | P | 84.8 | Confident | 81 | Confident | 18 Ų | 18 | 39 Ų | 39 | 12% | 0.117 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -11.5 | -173.3 | -26.9 | 37 | 0 | 0 | 0 | 115.4 | W283 L351 S355 A371 | W283-P287 PolarHBondContact NE1-O 3.46Å; W283-P287 VanDerWaalsContact NE1-O 3.12Å; W283-P287 VanDerWaalsContact O-CA 3.3Å; W283-P287 WeakPolarHBondContact O-CA 3.41Å; P287-L351 HydrophobicContact CB-CD1 3.99Å; P287-L351 HydrophobicContact CB-CD2 4.21Å; P287-L351 HydrophobicContact CB-CG 4.22Å; P287-L351 HydrophobicContact CG-CD1 4.41Å; P287-L351 HydrophobicContact CG-CD2 4.35Å; P287-S355 WeakPolarHBondContact O-CB 3.44Å; P287-S355 PolarHBondContact O-OG 3.49Å; P287-A371 HydrophobicContact CG-CB 4.25Å |
| 288 | R | 81.3 | Confident | 81 | Confident | 89 Ų | 89 | 38.6 Ų | 38.6 | 34% | 0.336 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | -16.6 | -177.8 | -71.5 | 178.3 | 175.4 | -96.4 | 0.9 | 113.2 | D286 S355 Q357 | D286-R288 PolarHBondContact O-N 2.61Å; D286-R288 PolarHBondContact OD1-N 2.73Å; R288-S355 PolarHBondContact NH1-O 3.43Å; R288-S355 VanDerWaalsContact NH1-O 3.1Å; R288-Q357 PolarHBondContact NH1-O 3.31Å; R288-Q357 PolarHBondContact NH2-O 3.02Å |
| 289 | G | 73.1 | Confident | 81.7 | Confident | 10 Ų | 10 | 35.7 Ų | 35.7 | 10% | 0.103 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -63.2 | 170.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | D286 L291 R292 | D286-G289 VanDerWaalsContact CG-N 3.34Å; D286-G289 PolarHBondContact O-N 2.97Å; D286-G289 PolarHBondContact OD1-N 3.09Å; D286-G289 VanDerWaalsContact OD2-CA 3.23Å; D286-G289 WeakPolarHBondContact OD2-CA 3.41Å; D286-G289 PolarHBondContact OD2-N 3.39Å; G289-L291 PolarHBondContact O-N 2.69Å; G289-L291 VanDerWaalsContact O-N 3.12Å; G289-R292 WeakPolarHBondContact O-CB 3.35Å; G289-R292 WeakPolarHBondContact O-CG 3.4Å; G289-R292 PolarHBondContact O-N 2.8Å; G289-R292 VanDerWaalsContact O-N 3.15Å |
| 290 | P | 68.5 | Low | 82.3 | Confident | 57 Ų | 57 | 37.9 Ų | 37.9 | 37% | 0.37 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -27.8 | -172 | 23.5 | -34.1 | 0 | 0 | 0 | 113.5 | F267 R292 P918 | F267-P290 HydrophobicContact CE1-CB 4.1Å; F267-P290 HydrophobicContact CZ-CB 4.07Å; P290-R292 PolarHBondContact O-N 2.75Å; P290-R292 VanDerWaalsContact O-N 3.17Å; P290-P918 HydrophobicContact CG-CG 4.36Å |
| 291 | L | 72.5 | Confident | 82.2 | Confident | 30 Ų | 30 | 39.3 Ų | 39.3 | 16% | 0.157 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | 1.7 | -178.3 | -55 | -177.2 | 0 | 0 | 0 | 114.2 | L266 F267 R282 G289 H293 V294 G295 | L266-L291 HydrophobicContact CB-CD2 4.35Å; L266-L291 WeakPolarHBondContact O-CD2 3.38Å; F267-L291 HydrophobicContact CD1-CD2 4.17Å; F267-L291 HydrophobicContact CE1-CD2 4.04Å; F267-L291 HydrophobicContact CZ-CD2 4.26Å; R282-L291 HydrophobicContact CG-CD1 4.11Å; G289-L291 PolarHBondContact O-N 2.69Å; G289-L291 VanDerWaalsContact O-N 3.12Å; L291-H293 VanDerWaalsContact C-N 3.26Å; L291-H293 PolarHBondContact O-N 3.34Å; L291-H293 VanDerWaalsContact O-N 3.13Å; L291-V294 PolarHBondContact O-N 2.77Å; L291-V294 VanDerWaalsContact O-N 3.1Å; L291-G295 PolarHBondContact O-N 2.62Å |
| 292 | R | 80.1 | Confident | 82.4 | Confident | 70 Ų | 70 | 37.9 Ų | 37.9 | 26% | 0.264 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -54.6 | -33.2 | -173.4 | 66.3 | -179.1 | -163.5 | 149.9 | 6.6 | 115.7 | W283 G289 P290 L296 F352 S356 | W283-R292 VanDerWaalsContact CD1-CA 3.45Å; G289-R292 WeakPolarHBondContact O-CB 3.35Å; G289-R292 WeakPolarHBondContact O-CG 3.4Å; G289-R292 PolarHBondContact O-N 2.8Å; G289-R292 VanDerWaalsContact O-N 3.15Å; P290-R292 PolarHBondContact O-N 2.75Å; P290-R292 VanDerWaalsContact O-N 3.17Å; R292-L296 WeakPolarHBondContact O-CB 3.42Å; R292-L296 PolarHBondContact O-N 2.83Å; R292-L296 VanDerWaalsContact O-N 3.17Å; R292-F352 HydrophobicContact CB-CE2 4.41Å; R292-F352 HydrophobicContact CG-CE2 4.13Å; R292-S356 PolarHBondContact NH1-OG 2.7Å |
| 293 | H | 82.8 | Confident | 83 | Confident | 110 Ų | 110 | 34.1 Ų | 34.1 | 51% | 0.509 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -72.5 | -44.4 | 178.7 | -68 | -87 | 0 | 0 | 0 | 111.2 | L291 L296 E297 F352 | L291-H293 VanDerWaalsContact C-N 3.26Å; L291-H293 PolarHBondContact O-N 3.34Å; L291-H293 VanDerWaalsContact O-N 3.13Å; H293-L296 PolarHBondContact O-N 2.97Å; H293-E297 PolarHBondContact O-N 3.37Å; H293-E297 VanDerWaalsContact O-N 3.11Å; H293-F352 AromaticContact CE1-CZ 3.63Å; H293-F352 AromaticContact ND1-CE2 3.9Å; H293-F352 AromaticContact ND1-CZ 3.67Å |
| 294 | V | 79.5 | Confident | 83.2 | Confident | 18 Ų | 18 | 39.2 Ų | 39.2 | 11% | 0.109 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.1 | -41.4 | 176.6 | -168.9 | 0 | 0 | 0 | 0 | 110.8 | F267 L291 L296 E297 A298 | F267-V294 WeakPolarHBondContact O-CG2 3.43Å; L291-V294 PolarHBondContact O-N 2.77Å; L291-V294 VanDerWaalsContact O-N 3.1Å; V294-L296 PolarHBondContact O-N 2.99Å; V294-E297 PolarHBondContact O-N 3.02Å; V294-A298 WeakPolarHBondContact O-CB 3.44Å; V294-A298 PolarHBondContact O-N 2.72Å |
| 295 | G | 83.8 | Confident | 83 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.6 | -41.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L291 A298 C299 | L291-G295 PolarHBondContact O-N 2.62Å; G295-A298 PolarHBondContact O-N 2.86Å; G295-C299 PolarHBondContact O-N 3.15Å; G295-C299 PolarHBondContact O-SG 3.49Å; G295-C299 VanDerWaalsContact O-SG 3.38Å |
| 296 | L | 89.6 | Confident | 83.3 | Confident | 9 Ų | 9 | 37.8 Ų | 37.8 | 5% | 0.047 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.2 | -46.3 | 174.8 | 178.7 | 63.3 | 0 | 0 | 0 | 111.7 | W283 R292 H293 V294 A298 C299 R300 S348 F352 | W283-L296 HydrophobicContact CH2-CB 4.24Å; W283-L296 HydrophobicContact CH2-CD1 4.09Å; W283-L296 HydrophobicContact CZ3-CB 4.28Å; W283-L296 HydrophobicContact CZ3-CD1 4.38Å; R292-L296 WeakPolarHBondContact O-CB 3.42Å; R292-L296 PolarHBondContact O-N 2.83Å; R292-L296 VanDerWaalsContact O-N 3.17Å; H293-L296 PolarHBondContact O-N 2.97Å; V294-L296 PolarHBondContact O-N 2.99Å; L296-A298 VanDerWaalsContact C-N 3.3Å; L296-A298 PolarHBondContact O-N 3.01Å; L296-C299 WeakPolarHBondContact O-CB 3.37Å; L296-C299 PolarHBondContact O-N 3.2Å; L296-R300 PolarHBondContact O-N 2.97Å; L296-R300 VanDerWaalsContact O-N 3.12Å; L296-S348 WeakPolarHBondContact CD1-OG 3.07Å; L296-F352 HydrophobicContact CB-CD2 4.16Å; L296-F352 HydrophobicContact CD1-CB 4.41Å; L296-F352 HydrophobicContact CD2-CB 4.07Å; L296-F352 HydrophobicContact CD2-CD1 4.03Å; L296-F352 HydrophobicContact CD2-CD2 3.73Å; L296-F352 HydrophobicContact CD2-CE1 4.4Å; L296-F352 HydrophobicContact CD2-CE2 4.12Å; L296-F352 HydrophobicContact CD2-CG 3.68Å; L296-F352 HydrophobicContact CD2-CZ 4.44Å; L296-F352 HydrophobicContact CG-CD2 4.5Å |
| 297 | E | 86.7 | Confident | 83.6 | Confident | 71 Ų | 71 | 36.2 Ų | 36.2 | 33% | 0.332 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -70.2 | -30.1 | -179.9 | -162 | 56.1 | -152 | 0 | 0 | 111.9 | L269 H293 V294 R300 S301 | L269-E297 HydrophobicContact CD2-CG 4.43Å; H293-E297 PolarHBondContact O-N 3.37Å; H293-E297 VanDerWaalsContact O-N 3.11Å; V294-E297 PolarHBondContact O-N 3.02Å; E297-R300 PolarHBondContact O-N 3.29Å; E297-R300 WeakPolarHBondContact OE2-CD 3.36Å; E297-R300 IonicContact OE2-NH1 2.65Å; E297-R300 PolarHBondContact OE2-NH1 3.05Å; E297-R300 VanDerWaalsContact OE2-NH1 3.13Å; E297-S301 WeakPolarHBondContact O-CB 3.47Å; E297-S301 PolarHBondContact O-N 3.49Å |
| 298 | A | 86.4 | Confident | 83.5 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.4 | -41.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L269 K276 Q279 A280 V294 G295 L296 L302 | L269-A298 HydrophobicContact CD1-CB 3.81Å; K276-A298 HydrophobicContact CB-CB 4.16Å; K276-A298 WeakPolarHBondContact O-CB 3.19Å; Q279-A298 HydrophobicContact CB-CB 3.98Å; A280-A298 HydrophobicContact CB-CB 4.2Å; V294-A298 WeakPolarHBondContact O-CB 3.44Å; V294-A298 PolarHBondContact O-N 2.72Å; G295-A298 PolarHBondContact O-N 2.86Å; L296-A298 VanDerWaalsContact C-N 3.3Å; L296-A298 PolarHBondContact O-N 3.01Å; A298-L302 WeakPolarHBondContact O-CB 3.37Å; A298-L302 PolarHBondContact O-N 3.16Å |
| 299 | C | 91.4 | Very high | 83.5 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.5 | -49.5 | 171.8 | -74.7 | 0 | 0 | 0 | 0 | 112 | G295 L296 A303 V344 | G295-C299 PolarHBondContact O-N 3.15Å; G295-C299 PolarHBondContact O-SG 3.49Å; G295-C299 VanDerWaalsContact O-SG 3.38Å; L296-C299 WeakPolarHBondContact O-CB 3.37Å; L296-C299 PolarHBondContact O-N 3.2Å; C299-A303 WeakPolarHBondContact O-CB 3.43Å; C299-A303 PolarHBondContact O-N 3.03Å; C299-V344 HydrophobicContact CB-CG1 3.78Å |
| 300 | R | 89.3 | Confident | 83.9 | Confident | 84 Ų | 84 | 35 Ų | 35 | 32% | 0.317 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -66.1 | -47.7 | 179.9 | -67.5 | 168.8 | 177.1 | 169.5 | -5.6 | 112.6 | L296 E297 L302 A303 Q304 D349 | L296-R300 PolarHBondContact O-N 2.97Å; L296-R300 VanDerWaalsContact O-N 3.12Å; E297-R300 PolarHBondContact O-N 3.29Å; E297-R300 WeakPolarHBondContact OE2-CD 3.36Å; E297-R300 IonicContact OE2-NH1 2.65Å; E297-R300 PolarHBondContact OE2-NH1 3.05Å; E297-R300 VanDerWaalsContact OE2-NH1 3.13Å; R300-L302 VanDerWaalsContact C-N 3.28Å; R300-L302 PolarHBondContact O-N 3.42Å; R300-A303 PolarHBondContact O-N 3.28Å; R300-Q304 WeakPolarHBondContact O-CB 2.84Å; R300-Q304 PolarHBondContact O-N 3.27Å; R300-D349 IonicContact CZ-OD1 3.99Å; R300-D349 IonicContact NE-OD1 2.75Å; R300-D349 PolarHBondContact NE-OD1 3.48Å; R300-D349 IonicContact NH2-OD1 2.68Å; R300-D349 PolarHBondContact NH2-OD1 3.25Å; R300-D349 IonicContact NH2-OD2 3.15Å |
| 301 | S | 85.9 | Confident | 84.2 | Confident | 30 Ų | 30 | 38.6 Ų | 38.6 | 21% | 0.21 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.7 | -31.3 | -178.9 | -165.8 | 0 | 0 | 0 | 0 | 111.8 | K276 E297 G305 | K276-S301 PolarHBondContact NZ-OG 3.05Å; E297-S301 WeakPolarHBondContact O-CB 3.47Å; E297-S301 PolarHBondContact O-N 3.49Å; S301-G305 PolarHBondContact O-N 3.43Å |
| 302 | L | 88.5 | Confident | 84 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -69.6 | -48.3 | 170.2 | -173.7 | 155.5 | 0 | 0 | 0 | 111.8 | K276 L277 A298 R300 Q304 G305 A306 L378 I381 | K276-L302 HydrophobicContact CB-CB 4.42Å; L277-L302 HydrophobicContact CB-CD1 3.66Å; L277-L302 HydrophobicContact CD1-CD1 3.96Å; L277-L302 HydrophobicContact CG-CD1 4.39Å; A298-L302 WeakPolarHBondContact O-CB 3.37Å; A298-L302 PolarHBondContact O-N 3.16Å; R300-L302 VanDerWaalsContact C-N 3.28Å; R300-L302 PolarHBondContact O-N 3.42Å; L302-Q304 PolarHBondContact O-N 3.13Å; L302-G305 PolarHBondContact O-N 3.31Å; L302-A306 WeakPolarHBondContact O-CB 3.37Å; L302-A306 PolarHBondContact O-N 3.44Å; L302-L378 HydrophobicContact CD1-CD2 4.22Å; L302-L378 HydrophobicContact CD2-CD2 3.84Å; L302-I381 HydrophobicContact CD2-CB 4.47Å; L302-I381 HydrophobicContact CD2-CG2 3.78Å |
| 303 | A | 90 | Very high | 83.2 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.3 | -42.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | C299 R300 A306 R307 C341 E345 | C299-A303 WeakPolarHBondContact O-CB 3.43Å; C299-A303 PolarHBondContact O-N 3.03Å; R300-A303 PolarHBondContact O-N 3.28Å; A303-A306 PolarHBondContact O-N 3.49Å; A303-R307 PolarHBondContact O-N 3.4Å; A303-R307 VanDerWaalsContact O-N 3.13Å; A303-C341 HydrophobicContact CB-CB 4.02Å; A303-E345 HydrophobicContact CB-CG 3.8Å |
| 304 | Q | 86.4 | Confident | 82 | Confident | 109 Ų | 109 | 37.2 Ų | 37.2 | 51% | 0.509 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -69.2 | -39 | 176 | -177.7 | 57.4 | 17.4 | 0 | 0 | 112.6 | R300 L302 S308 | R300-Q304 WeakPolarHBondContact O-CB 2.84Å; R300-Q304 PolarHBondContact O-N 3.27Å; L302-Q304 PolarHBondContact O-N 3.13Å; Q304-S308 PolarHBondContact O-N 3.25Å |
| 305 | G | 83.5 | Confident | 80.4 | Confident | 19 Ų | 19 | 41.3 Ų | 41.3 | 20% | 0.196 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.5 | -49.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | S301 L302 R307 S308 I309 | S301-G305 PolarHBondContact O-N 3.43Å; L302-G305 PolarHBondContact O-N 3.31Å; G305-R307 PolarHBondContact O-N 2.84Å; G305-S308 WeakPolarHBondContact O-CB 3.44Å; G305-S308 PolarHBondContact O-N 3.12Å; G305-S308 VanDerWaalsContact O-N 3.13Å; G305-I309 WeakPolarHBondContact O-CG1 3.38Å; G305-I309 PolarHBondContact O-N 3.36Å |
| 306 | A | 86.6 | Confident | 78.3 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -56.2 | -48.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L302 A303 S308 I309 I310 I381 L385 | L302-A306 WeakPolarHBondContact O-CB 3.37Å; L302-A306 PolarHBondContact O-N 3.44Å; A303-A306 PolarHBondContact O-N 3.49Å; A306-S308 VanDerWaalsContact C-N 3.32Å; A306-S308 PolarHBondContact O-N 3.03Å; A306-I309 PolarHBondContact O-N 2.85Å; A306-I309 VanDerWaalsContact O-N 3.16Å; A306-I310 WeakPolarHBondContact O-CG1 3.34Å; A306-I310 PolarHBondContact O-N 3.2Å; A306-I310 VanDerWaalsContact O-N 3.13Å; A306-I381 HydrophobicContact CB-CG2 3.62Å; A306-L385 HydrophobicContact CB-CD1 3.84Å; A306-L385 HydrophobicContact CB-CD2 4.09Å; A306-L385 HydrophobicContact CB-CG 4.28Å |
| 307 | R | 85.6 | Confident | 75.8 | Confident | 35 Ų | 35 | 50.9 Ų | 50.9 | 13% | 0.132 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.5 | -41.6 | 176.1 | -73.4 | -172.4 | -67 | -110.4 | -2.6 | 112.7 | A303 G305 I309 I310 M311 C341 E345 | A303-R307 PolarHBondContact O-N 3.4Å; A303-R307 VanDerWaalsContact O-N 3.13Å; G305-R307 PolarHBondContact O-N 2.84Å; R307-I309 VanDerWaalsContact C-N 3.26Å; R307-I309 PolarHBondContact O-N 3.4Å; R307-I310 PolarHBondContact O-N 3.18Å; R307-M311 WeakPolarHBondContact O-CB 3.23Å; R307-M311 VanDerWaalsContact O-CG 3.27Å; R307-M311 WeakPolarHBondContact O-CG 3.37Å; R307-M311 PolarHBondContact O-N 3.24Å; R307-C341 HydrophobicContact CG-CB 4.2Å; R307-E345 IonicContact CZ-OE1 2.76Å; R307-E345 IonicContact CZ-OE2 3.72Å; R307-E345 IonicContact NH1-OE1 3.85Å; R307-E345 IonicContact NH1-OE2 2.75Å; R307-E345 PolarHBondContact NH1-OE2 2.84Å; R307-E345 IonicContact NH2-OE1 2.74Å; R307-E345 PolarHBondContact NH2-OE1 3.08Å; R307-E345 IonicContact NH2-OE2 3.17Å; R307-E345 PolarHBondContact NH2-OE2 2.89Å |
| 308 | S | 81.9 | Confident | 73.2 | Confident | 73 Ų | 73 | 53.5 Ų | 53.5 | 51% | 0.51 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.8 | -34.8 | 178.3 | -165.8 | 0 | 0 | 0 | 0 | 112.7 | Q304 G305 A306 S312 | Q304-S308 PolarHBondContact O-N 3.25Å; G305-S308 WeakPolarHBondContact O-CB 3.44Å; G305-S308 PolarHBondContact O-N 3.12Å; G305-S308 VanDerWaalsContact O-N 3.13Å; A306-S308 VanDerWaalsContact C-N 3.32Å; A306-S308 PolarHBondContact O-N 3.03Å; S308-S312 WeakPolarHBondContact O-CB 3.35Å; S308-S312 PolarHBondContact O-N 2.94Å; S308-S312 VanDerWaalsContact O-N 3.16Å |
| 309 | I | 80.8 | Confident | 70.4 | Confident | 13 Ų | 13 | 58.7 Ų | 58.7 | 7% | 0.067 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -72.2 | -47.6 | -179.6 | -60.8 | 169.2 | 0 | 0 | 0 | 110.3 | L273 G305 A306 R307 S312 S313 L385 L444 T448 | L273-I309 HydrophobicContact CD1-CD1 3.61Å; G305-I309 WeakPolarHBondContact O-CG1 3.38Å; G305-I309 PolarHBondContact O-N 3.36Å; A306-I309 PolarHBondContact O-N 2.85Å; A306-I309 VanDerWaalsContact O-N 3.16Å; R307-I309 VanDerWaalsContact C-N 3.26Å; R307-I309 PolarHBondContact O-N 3.4Å; I309-S312 PolarHBondContact O-N 3.42Å; I309-S312 PolarHBondContact O-OG 3.01Å; I309-S313 PolarHBondContact O-N 2.83Å; I309-S313 PolarHBondContact O-OG 2.81Å; I309-S313 VanDerWaalsContact O-OG 3.1Å; I309-L385 HydrophobicContact CB-CD2 4.05Å; I309-L385 HydrophobicContact CD1-CD1 4.27Å; I309-L385 HydrophobicContact CD1-CD2 3.89Å; I309-L385 HydrophobicContact CG2-CD2 4.1Å; I309-L444 HydrophobicContact CB-CD1 4.16Å; I309-L444 HydrophobicContact CD1-CD1 3.58Å; I309-L444 HydrophobicContact CG1-CD1 3.43Å; I309-L444 VanDerWaalsContact CG1-CD1 3.43Å; I309-L444 HydrophobicContact CG2-CD1 3.73Å; I309-L444 HydrophobicContact CG2-CD2 4.2Å; I309-T448 HydrophobicContact CD1-CG2 3.63Å |
| 310 | I | 81.9 | Confident | 67.6 | Low | 6 Ų | 6 | 64.1 Ų | 64.1 | 3% | 0.031 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -58.5 | -49.9 | 176.6 | -64.9 | 163.9 | 0 | 0 | 0 | 110.2 | A306 R307 S312 S313 D314 N334 C337 V338 L388 | A306-I310 WeakPolarHBondContact O-CG1 3.34Å; A306-I310 PolarHBondContact O-N 3.2Å; A306-I310 VanDerWaalsContact O-N 3.13Å; R307-I310 PolarHBondContact O-N 3.18Å; I310-S312 VanDerWaalsContact C-N 3.26Å; I310-S312 PolarHBondContact O-N 2.83Å; I310-S313 WeakPolarHBondContact O-CB 3.44Å; I310-S313 PolarHBondContact O-N 3.14Å; I310-D314 PolarHBondContact O-N 3.28Å; I310-N334 HydrophobicContact CG2-CB 3.75Å; I310-C337 HydrophobicContact CD1-CB 3.88Å; I310-V338 HydrophobicContact CD1-CG2 4.1Å; I310-V338 HydrophobicContact CG2-CG2 4.35Å; I310-L388 HydrophobicContact CG1-CD1 3.94Å |
| 311 | M | 75 | Confident | 64.9 | Low | 132 Ų | 132 | 66.6 Ų | 66.6 | 65% | 0.65 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -60.5 | -32.3 | 178.4 | -72.1 | 176.2 | 178.7 | 0 | 0 | 113.5 | R307 S313 | R307-M311 WeakPolarHBondContact O-CB 3.23Å; R307-M311 VanDerWaalsContact O-CG 3.27Å; R307-M311 WeakPolarHBondContact O-CG 3.37Å; R307-M311 PolarHBondContact O-N 3.24Å; M311-S313 VanDerWaalsContact C-N 3.34Å |
| 312 | S | 68.5 | Low | 62.5 | Low | 61 Ų | 61 | 72 Ų | 72 | 43% | 0.427 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -73.3 | -25.5 | 175.4 | 74.9 | 0 | 0 | 0 | 0 | 113.5 | S308 I309 I310 S315 | S308-S312 WeakPolarHBondContact O-CB 3.35Å; S308-S312 PolarHBondContact O-N 2.94Å; S308-S312 VanDerWaalsContact O-N 3.16Å; I309-S312 PolarHBondContact O-N 3.42Å; I309-S312 PolarHBondContact O-OG 3.01Å; I310-S312 VanDerWaalsContact C-N 3.26Å; I310-S312 PolarHBondContact O-N 2.83Å; S312-S315 PolarHBondContact O-OG 3.26Å; S312-S315 VanDerWaalsContact O-OG 3.08Å |
| 313 | S | 64 | Low | 60 | Low | 25 Ų | 25 | 75.8 Ų | 75.8 | 18% | 0.175 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -74.5 | -38.8 | -178.7 | -62.2 | 0 | 0 | 0 | 0 | 112.5 | I309 I310 M311 S315 | I309-S313 PolarHBondContact O-N 2.83Å; I309-S313 PolarHBondContact O-OG 2.81Å; I309-S313 VanDerWaalsContact O-OG 3.1Å; I310-S313 WeakPolarHBondContact O-CB 3.44Å; I310-S313 PolarHBondContact O-N 3.14Å; M311-S313 VanDerWaalsContact C-N 3.34Å; S313-S315 VanDerWaalsContact C-N 3.25Å; S313-S315 PolarHBondContact O-N 2.89Å |
| 314 | D | 57 | Low | 57.4 | Low | 96 Ų | 96 | 81.2 Ų | 81.2 | 51% | 0.513 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -10.5 | -175.3 | -74.5 | 3.8 | 0 | 0 | 0 | 113.6 | I310 G316 N334 | I310-D314 PolarHBondContact O-N 3.28Å; D314-G316 VanDerWaalsContact C-N 3.34Å; D314-G316 PolarHBondContact O-N 2.89Å; D314-N334 PolarHBondContact OD1-ND2 3.41Å |
| 315 | S | 46 | Very low | 55.3 | Low | 103 Ų | 103 | 82.5 Ų | 82.5 | 72% | 0.72 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | 0.7 | -175.6 | 64.2 | 0 | 0 | 0 | 0 | 115.6 | S312 S313 | S312-S315 PolarHBondContact O-OG 3.26Å; S312-S315 VanDerWaalsContact O-OG 3.08Å; S313-S315 VanDerWaalsContact C-N 3.25Å; S313-S315 PolarHBondContact O-N 2.89Å |
| 316 | G | 39.5 | Very low | 53.5 | Low | 63 Ų | 63 | 85 Ų | 85 | 65% | 0.649 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -97.6 | -31 | -169 | 0 | 0 | 0 | 0 | 0 | 117 | D314 | D314-G316 VanDerWaalsContact C-N 3.34Å; D314-G316 PolarHBondContact O-N 2.89Å |
| 317 | D | 36 | Very low | 51.8 | Low | 148 Ų | 148 | 88.6 Ų | 88.6 | 79% | 0.791 | 53% | 0.526 | S | S | * | . | trans | -92 | 116.7 | -170.2 | -84.4 | -38.1 | 0 | 0 | 0 | 112.8 | ||||
| 318 | V | 32.1 | Very low | 50.3 | Low | 126 Ų | 126 | 90 Ų | 90 | 76% | 0.764 | 54% | 0.538 | S | S | * | . | trans | -60.5 | 133.5 | 155.8 | 175.8 | 0 | 0 | 0 | 0 | 107.3 | D320 | V318-D320 PolarHBondContact O-N 3.1Š| ||
| 319 | P | 27.6 | Very low | 49.2 | Very low | 110 Ų | 110 | 93 Ų | 93 | 71% | 0.714 | 54% | 0.544 | S | S | * | . | trans | -64.5 | 97.7 | -175.5 | 24.4 | -34.3 | 0 | 0 | 0 | 111.7 | N321 | P319-N321 VanDerWaalsContact C-N 3.28Å; P319-N321 PolarHBondContact O-N 3.4Å | ||
| 320 | D | 34 | Very low | 48.6 | Very low | 114 Ų | 114 | 94.1 Ų | 94.1 | 61% | 0.61 | 55% | 0.55 | S | S | * | * | trans | -72.3 | 83.7 | 177.4 | -149.5 | 6.4 | 0 | 0 | 0 | 108.2 | V318 N322 | V318-D320 PolarHBondContact O-N 3.1Å; D320-N322 PolarHBondContact O-N 3.33Å | ||
| 321 | N | 32.4 | Very low | 48.2 | Very low | 135 Ų | 135 | 99.3 Ų | 99.3 | 72% | 0.722 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | 31.4 | -153.7 | -163.2 | 26.4 | 0 | 0 | 0 | 115.9 | P319 | P319-N321 VanDerWaalsContact C-N 3.28Å; P319-N321 PolarHBondContact O-N 3.4Å |
| 322 | N | 35.6 | Very low | 48.4 | Very low | 145 Ų | 145 | 99.5 Ų | 99.5 | 78% | 0.775 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146.8 | 6.7 | -173.5 | -80.9 | -59.9 | 0 | 0 | 0 | 115.3 | D320 | D320-N322 PolarHBondContact O-N 3.33Š|
| 323 | N | 36.3 | Very low | 49 | Very low | 78 Ų | 78 | 98.5 Ų | 98.5 | 42% | 0.417 | 56% | 0.563 | S | S | . | * | trans | -131.2 | 67.5 | -179.3 | -92.4 | -35.9 | 0 | 0 | 0 | 113 | N325 | N323-N325 PolarHBondContact O-N 3.37Š| ||
| 324 | N | 35.4 | Very low | 49.9 | Very low | 114 Ų | 114 | 97.5 Ų | 97.5 | 61% | 0.61 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | 3.4 | -168.2 | -64.6 | -9 | 0 | 0 | 0 | 116.7 | T328 | N324-T328 WeakPolarHBondContact O-CG2 3.38Å; N324-T328 PolarHBondContact O-OG1 3.09Å |
| 325 | N | 42 | Very low | 51.3 | Low | 136 Ų | 136 | 97.3 Ų | 97.3 | 73% | 0.727 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.4 | -18.7 | -169.3 | -71.1 | 27.1 | 0 | 0 | 0 | 115.1 | N323 T328 | N323-N325 PolarHBondContact O-N 3.37Å; N325-T328 PolarHBondContact O-OG1 3.29Å |
| 326 | S | 45 | Very low | 53.3 | Low | 72 Ų | 72 | 94.1 Ų | 94.1 | 50% | 0.503 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -102.7 | -27.2 | -179.3 | 57.6 | 0 | 0 | 0 | 0 | 113.4 | T328 | S326-T328 VanDerWaalsContact C-N 3.31Å |
| 327 | S | 51.4 | Low | 55.7 | Low | 76 Ų | 76 | 91.1 Ų | 91.1 | 53% | 0.531 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -75 | -21.2 | 174.7 | 47.1 | 0 | 0 | 0 | 0 | 112.9 | K331 | S327-K331 VanDerWaalsContact O-CB 3.28Å; S327-K331 WeakPolarHBondContact O-CB 3.19Å; S327-K331 PolarHBondContact O-N 2.73Å |
| 328 | T | 53.8 | Low | 58.3 | Low | 64 Ų | 64 | 86 Ų | 86 | 39% | 0.393 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -73.7 | -49.4 | 175.6 | 43.6 | 0 | 0 | 0 | 0 | 112.4 | N324 N325 S326 K331 E332 | N324-T328 WeakPolarHBondContact O-CG2 3.38Å; N324-T328 PolarHBondContact O-OG1 3.09Å; N325-T328 PolarHBondContact O-OG1 3.29Å; S326-T328 VanDerWaalsContact C-N 3.31Å; T328-K331 PolarHBondContact O-N 2.7Å; T328-E332 WeakPolarHBondContact O-CG 3.35Å; T328-E332 PolarHBondContact O-N 3.24Å |
| 329 | E | 59.3 | Low | 61.1 | Low | 136 Ų | 136 | 86.6 Ų | 86.6 | 64% | 0.636 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62.8 | -47.5 | -178 | -67.8 | -173 | 168.3 | 0 | 0 | 112.2 | K331 E332 T333 | E329-K331 VanDerWaalsContact C-N 3.3Å; E329-K331 PolarHBondContact O-N 3.15Å; E329-E332 PolarHBondContact O-N 3.45Å; E329-T333 PolarHBondContact O-N 2.86Å; E329-T333 PolarHBondContact O-OG1 3.25Å |
| 330 | D | 67.6 | Low | 64.2 | Low | 36 Ų | 36 | 81.9 Ų | 81.9 | 19% | 0.193 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -63 | -38.2 | 178.1 | -88.3 | -16.4 | 0 | 0 | 0 | 110.9 | T333 N334 K387 R391 | D330-T333 PolarHBondContact O-N 2.95Å; D330-T333 PolarHBondContact O-OG1 3.45Å; D330-N334 PolarHBondContact O-N 3Å; D330-K387 IonicContact OD1-NZ 2.77Å; D330-K387 PolarHBondContact OD1-NZ 3.08Å; D330-R391 IonicContact OD2-CZ 2.69Å; D330-R391 IonicContact OD2-NH1 3.81Å; D330-R391 PolarHBondContact OD2-NH1 2.83Å |
| 331 | K | 74.3 | Confident | 67 | Low | 115 Ų | 115 | 76.5 Ų | 76.5 | 50% | 0.5 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65.7 | -45.8 | 175.2 | -178.7 | 168.8 | -178.7 | 172.5 | 0 | 113 | S327 T328 E329 T333 N334 D335 | S327-K331 VanDerWaalsContact O-CB 3.28Å; S327-K331 WeakPolarHBondContact O-CB 3.19Å; S327-K331 PolarHBondContact O-N 2.73Å; T328-K331 PolarHBondContact O-N 2.7Å; E329-K331 VanDerWaalsContact C-N 3.3Å; E329-K331 PolarHBondContact O-N 3.15Å; K331-T333 PolarHBondContact O-N 3.34Å; K331-N334 WeakPolarHBondContact O-CB 3.28Å; K331-N334 PolarHBondContact O-N 3.16Å; K331-D335 VanDerWaalsContact CE-OD2 3.28Å; K331-D335 WeakPolarHBondContact CE-OD2 3.33Å; K331-D335 PolarHBondContact O-N 3.27Å |
| 332 | E | 78 | Confident | 69.8 | Low | 136 Ų | 136 | 74.6 Ų | 74.6 | 64% | 0.636 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -59.1 | -36 | 176.4 | -74.5 | 175.1 | -163.5 | 0 | 0 | 111.2 | T328 E329 A336 | T328-E332 WeakPolarHBondContact O-CG 3.35Å; T328-E332 PolarHBondContact O-N 3.24Å; E329-E332 PolarHBondContact O-N 3.45Å; E332-A336 VanDerWaalsContact O-CB 3.31Å; E332-A336 WeakPolarHBondContact O-CB 3.43Å; E332-A336 PolarHBondContact O-N 3.3Å; E332-A336 VanDerWaalsContact O-N 3.08Å |
| 333 | T | 80.9 | Confident | 72.6 | Confident | 41 Ų | 41 | 70.8 Ų | 70.8 | 25% | 0.252 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -71.4 | -32.8 | 172.7 | 61.1 | 0 | 0 | 0 | 0 | 114 | E329 D330 K331 C337 | E329-T333 PolarHBondContact O-N 2.86Å; E329-T333 PolarHBondContact O-OG1 3.25Å; D330-T333 PolarHBondContact O-N 2.95Å; D330-T333 PolarHBondContact O-OG1 3.45Å; K331-T333 PolarHBondContact O-N 3.34Å; T333-C337 VanDerWaalsContact O-CB 3.31Å; T333-C337 WeakPolarHBondContact O-CB 3.5Å; T333-C337 PolarHBondContact O-N 3.27Å; T333-C337 VanDerWaalsContact O-N 3.11Å |
| 334 | N | 83.6 | Confident | 75.3 | Confident | 4 Ų | 4 | 67 Ų | 67 | 2% | 0.021 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66.4 | -50.3 | 173.4 | -77.1 | -3.4 | 0 | 0 | 0 | 111 | I310 D314 D330 K331 A336 C337 V338 | I310-N334 HydrophobicContact CG2-CB 3.75Å; D314-N334 PolarHBondContact OD1-ND2 3.41Å; D330-N334 PolarHBondContact O-N 3Å; K331-N334 WeakPolarHBondContact O-CB 3.28Å; K331-N334 PolarHBondContact O-N 3.16Å; N334-A336 PolarHBondContact O-N 3.1Å; N334-C337 PolarHBondContact O-N 2.84Å; N334-C337 VanDerWaalsContact O-N 3.15Å; N334-V338 WeakPolarHBondContact O-CG2 3.31Å; N334-V338 PolarHBondContact O-N 2.64Å |
| 335 | D | 86.2 | Confident | 78 | Confident | 91 Ų | 91 | 63.8 Ų | 63.8 | 49% | 0.487 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.4 | -44.3 | -179.8 | -72.4 | -26.8 | 0 | 0 | 0 | 111.1 | K331 C337 V338 E339 | K331-D335 VanDerWaalsContact CE-OD2 3.28Å; K331-D335 WeakPolarHBondContact CE-OD2 3.33Å; K331-D335 PolarHBondContact O-N 3.27Å; D335-C337 VanDerWaalsContact C-N 3.34Å; D335-C337 PolarHBondContact O-N 3.4Å; D335-V338 PolarHBondContact O-N 2.85Å; D335-E339 PolarHBondContact O-N 3.3Å |
| 336 | A | 89.1 | Confident | 80.4 | Confident | 37 Ų | 37 | 63.9 Ų | 63.9 | 31% | 0.306 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.2 | -32.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | E332 N334 E339 A340 Y380 | E332-A336 VanDerWaalsContact O-CB 3.31Å; E332-A336 WeakPolarHBondContact O-CB 3.43Å; E332-A336 PolarHBondContact O-N 3.3Å; E332-A336 VanDerWaalsContact O-N 3.08Å; N334-A336 PolarHBondContact O-N 3.1Å; A336-E339 PolarHBondContact O-N 3.32Å; A336-A340 PolarHBondContact O-N 3.25Å; A336-Y380 HydrophobicContact CB-CE1 4.47Å |
| 337 | C | 89.2 | Confident | 82.7 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -71.1 | -34.3 | 174.7 | -168.8 | 0 | 0 | 0 | 0 | 112 | I310 T333 N334 D335 A340 C341 Y380 T384 | I310-C337 HydrophobicContact CD1-CB 3.88Å; T333-C337 VanDerWaalsContact O-CB 3.31Å; T333-C337 WeakPolarHBondContact O-CB 3.5Å; T333-C337 PolarHBondContact O-N 3.27Å; T333-C337 VanDerWaalsContact O-N 3.11Å; N334-C337 PolarHBondContact O-N 2.84Å; N334-C337 VanDerWaalsContact O-N 3.15Å; D335-C337 VanDerWaalsContact C-N 3.34Å; D335-C337 PolarHBondContact O-N 3.4Å; C337-A340 PolarHBondContact O-N 2.9Å; C337-C341 PolarHBondContact O-N 3.41Å; C337-C341 PolarHBondContact O-SG 2.75Å; C337-Y380 HydrophobicContact CB-CE1 4.38Å; C337-T384 HydrophobicContact CB-CG2 3.9Å |
| 338 | V | 90.5 | Very high | 84.7 | Confident | 40 Ų | 40 | 57.8 Ų | 57.8 | 24% | 0.242 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.9 | -43.4 | 171.3 | 176.2 | 0 | 0 | 0 | 0 | 111.1 | I310 N334 D335 A340 C341 E342 | I310-V338 HydrophobicContact CD1-CG2 4.1Å; I310-V338 HydrophobicContact CG2-CG2 4.35Å; N334-V338 WeakPolarHBondContact O-CG2 3.31Å; N334-V338 PolarHBondContact O-N 2.64Å; D335-V338 PolarHBondContact O-N 2.85Å; V338-A340 VanDerWaalsContact C-N 3.31Å; V338-A340 PolarHBondContact O-N 2.99Å; V338-C341 WeakPolarHBondContact O-CB 3.45Å; V338-C341 PolarHBondContact O-N 3.48Å; V338-C341 VanDerWaalsContact O-N 3.14Å; V338-E342 PolarHBondContact O-N 3.36Å; V338-E342 VanDerWaalsContact O-N 3.09Å |
| 339 | E | 91.5 | Very high | 86.5 | Confident | 138 Ų | 138 | 58.2 Ų | 58.2 | 65% | 0.645 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -59.1 | -42.6 | 173.2 | -171.9 | -175.5 | 170.9 | 0 | 0 | 111.5 | D335 A336 C341 E342 H343 | D335-E339 PolarHBondContact O-N 3.3Å; A336-E339 PolarHBondContact O-N 3.32Å; E339-C341 VanDerWaalsContact C-N 3.32Å; E339-C341 PolarHBondContact O-N 3.29Å; E339-E342 PolarHBondContact O-N 2.86Å; E339-H343 WeakPolarHBondContact O-CB 3.24Å; E339-H343 PolarHBondContact O-N 3.34Å |
| 340 | A | 91.6 | Very high | 88.1 | Confident | 12 Ų | 12 | 58.6 Ų | 58.6 | 10% | 0.099 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.3 | -36.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A336 C337 V338 H343 V344 Y380 I381 | A336-A340 PolarHBondContact O-N 3.25Å; C337-A340 PolarHBondContact O-N 2.9Å; V338-A340 VanDerWaalsContact C-N 3.31Å; V338-A340 PolarHBondContact O-N 2.99Å; A340-H343 WeakPolarHBondContact O-CB 3.44Å; A340-H343 PolarHBondContact O-N 2.87Å; A340-V344 WeakPolarHBondContact O-CG2 3.45Å; A340-V344 PolarHBondContact O-N 3.07Å; A340-Y380 HydrophobicContact CB-CD1 3.82Å; A340-Y380 HydrophobicContact CB-CE1 4.26Å; A340-I381 HydrophobicContact CB-CD1 4.18Å; A340-I381 HydrophobicContact CB-CG1 3.82Å |
| 341 | C | 92.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.9 | -46.8 | 174.5 | -68 | 0 | 0 | 0 | 0 | 111.7 | A303 R307 C337 V338 E339 H343 V344 E345 | A303-C341 HydrophobicContact CB-CB 4.02Å; R307-C341 HydrophobicContact CG-CB 4.2Å; C337-C341 PolarHBondContact O-N 3.41Å; C337-C341 PolarHBondContact O-SG 2.75Å; V338-C341 WeakPolarHBondContact O-CB 3.45Å; V338-C341 PolarHBondContact O-N 3.48Å; V338-C341 VanDerWaalsContact O-N 3.14Å; E339-C341 VanDerWaalsContact C-N 3.32Å; E339-C341 PolarHBondContact O-N 3.29Å; C341-H343 VanDerWaalsContact C-N 3.27Å; C341-H343 PolarHBondContact O-N 3.18Å; C341-V344 PolarHBondContact O-N 3.07Å; C341-E345 PolarHBondContact O-N 3.41Å |
| 342 | E | 92.7 | Very high | 90 | Very high | 95 Ų | 95 | 53.4 Ų | 53.4 | 44% | 0.444 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.3 | -33 | 174.4 | -60.8 | -170.6 | -176.8 | 0 | 0 | 112.5 | V338 E339 R346 | V338-E342 PolarHBondContact O-N 3.36Å; V338-E342 VanDerWaalsContact O-N 3.09Å; E339-E342 PolarHBondContact O-N 2.86Å; E342-R346 WeakPolarHBondContact O-CB 3.49Å; E342-R346 PolarHBondContact O-N 3.04Å; E342-R346 VanDerWaalsContact O-N 3.1Å; E342-R346 PolarHBondContact O-NH1 2.86Å; E342-R346 IonicContact OE2-NH2 2.88Å; E342-R346 PolarHBondContact OE2-NH2 3.18Å |
| 343 | H | 93.2 | Very high | 90.5 | Very high | 65 Ų | 65 | 50 Ų | 50 | 30% | 0.301 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.1 | -46.8 | 174.3 | -170 | 101.7 | 0 | 0 | 0 | 111.4 | E339 A340 C341 V347 S377 | E339-H343 WeakPolarHBondContact O-CB 3.24Å; E339-H343 PolarHBondContact O-N 3.34Å; A340-H343 WeakPolarHBondContact O-CB 3.44Å; A340-H343 PolarHBondContact O-N 2.87Å; C341-H343 VanDerWaalsContact C-N 3.27Å; C341-H343 PolarHBondContact O-N 3.18Å; H343-V347 VanDerWaalsContact O-CB 3.3Å; H343-V347 WeakPolarHBondContact O-CB 3.32Å; H343-V347 VanDerWaalsContact O-CG2 3.26Å; H343-V347 WeakPolarHBondContact O-CG2 3.3Å; H343-V347 PolarHBondContact O-N 3.43Å; H343-S377 PolarHBondContact CD2-OG 3.38Å |
| 344 | V | 93 | Very high | 90.8 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -55.5 | -54.5 | 177.2 | 165.3 | 0 | 0 | 0 | 0 | 110.7 | C299 A340 C341 V347 S348 I374 L378 I381 | C299-V344 HydrophobicContact CB-CG1 3.78Å; A340-V344 WeakPolarHBondContact O-CG2 3.45Å; A340-V344 PolarHBondContact O-N 3.07Å; C341-V344 PolarHBondContact O-N 3.07Å; V344-V347 PolarHBondContact O-N 2.94Å; V344-S348 VanDerWaalsContact O-CB 3.26Å; V344-S348 WeakPolarHBondContact O-CB 3.23Å; V344-S348 PolarHBondContact O-N 3.37Å; V344-S348 PolarHBondContact O-OG 2.97Å; V344-I374 HydrophobicContact CG1-CG2 4.26Å; V344-I374 HydrophobicContact CG2-CG2 4.4Å; V344-L378 HydrophobicContact CG1-CD2 3.89Å; V344-L378 HydrophobicContact CG1-CG 4.43Å; V344-L378 HydrophobicContact CG2-CD2 3.97Å; V344-L378 HydrophobicContact CG2-CG 4.04Å; V344-I381 HydrophobicContact CB-CD1 4.47Å; V344-I381 HydrophobicContact CG2-CD1 3.68Å |
| 345 | E | 92 | Very high | 90.9 | Very high | 46 Ų | 46 | 48.9 Ų | 48.9 | 22% | 0.215 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.9 | -50.4 | -176.8 | -67 | 172.2 | 139.2 | 0 | 0 | 112.1 | A303 R307 C341 V347 S348 D349 | A303-E345 HydrophobicContact CB-CG 3.8Å; R307-E345 IonicContact CZ-OE1 2.76Å; R307-E345 IonicContact CZ-OE2 3.72Å; R307-E345 IonicContact NH1-OE1 3.85Å; R307-E345 IonicContact NH1-OE2 2.75Å; R307-E345 PolarHBondContact NH1-OE2 2.84Å; R307-E345 IonicContact NH2-OE1 2.74Å; R307-E345 PolarHBondContact NH2-OE1 3.08Å; R307-E345 IonicContact NH2-OE2 3.17Å; R307-E345 PolarHBondContact NH2-OE2 2.89Å; C341-E345 PolarHBondContact O-N 3.41Å; E345-V347 VanDerWaalsContact C-N 3.27Å; E345-V347 PolarHBondContact O-N 3.41Å; E345-S348 PolarHBondContact O-N 3.19Å; E345-S348 PolarHBondContact O-OG 2.9Å; E345-D349 PolarHBondContact O-N 3.4Å |
| 346 | R | 93.5 | Very high | 90.7 | Very high | 138 Ų | 138 | 47.6 Ų | 47.6 | 52% | 0.521 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.4 | -32.5 | -177.2 | -165.2 | -169.7 | -53.2 | 110.8 | -6.8 | 112.5 | E342 | E342-R346 WeakPolarHBondContact O-CB 3.49Å; E342-R346 PolarHBondContact O-N 3.04Å; E342-R346 VanDerWaalsContact O-N 3.1Å; E342-R346 PolarHBondContact O-NH1 2.86Å; E342-R346 IonicContact OE2-NH2 2.88Å; E342-R346 PolarHBondContact OE2-NH2 3.18Å |
| 347 | V | 93.3 | Very high | 90.3 | Very high | 19 Ų | 19 | 50.2 Ų | 50.2 | 12% | 0.115 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -91.3 | -31.1 | -179.8 | -176.6 | 0 | 0 | 0 | 0 | 112 | H343 V344 E345 R350 L351 L370 I374 | H343-V347 VanDerWaalsContact O-CB 3.3Å; H343-V347 WeakPolarHBondContact O-CB 3.32Å; H343-V347 VanDerWaalsContact O-CG2 3.26Å; H343-V347 WeakPolarHBondContact O-CG2 3.3Å; H343-V347 PolarHBondContact O-N 3.43Å; V344-V347 PolarHBondContact O-N 2.94Å; E345-V347 VanDerWaalsContact C-N 3.27Å; E345-V347 PolarHBondContact O-N 3.41Å; V347-R350 PolarHBondContact O-N 3.37Å; V347-L351 PolarHBondContact O-N 3.37Å; V347-L370 HydrophobicContact CG1-CB 4.11Å; V347-L370 HydrophobicContact CG1-CD2 3.92Å; V347-L370 HydrophobicContact CG1-CG 4.38Å; V347-I374 HydrophobicContact CB-CD1 4.47Å; V347-I374 HydrophobicContact CB-CG1 3.94Å; V347-I374 HydrophobicContact CG1-CD1 3.98Å; V347-I374 HydrophobicContact CG1-CG1 3.63Å |
| 348 | S | 93 | Very high | 89.8 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.5 | -42.4 | 172.8 | 62.3 | 0 | 0 | 0 | 0 | 112 | L296 V344 E345 R350 L351 F352 | L296-S348 WeakPolarHBondContact CD1-OG 3.07Å; V344-S348 VanDerWaalsContact O-CB 3.26Å; V344-S348 WeakPolarHBondContact O-CB 3.23Å; V344-S348 PolarHBondContact O-N 3.37Å; V344-S348 PolarHBondContact O-OG 2.97Å; E345-S348 PolarHBondContact O-N 3.19Å; E345-S348 PolarHBondContact O-OG 2.9Å; S348-R350 VanDerWaalsContact C-N 3.27Å; S348-R350 PolarHBondContact O-N 2.89Å; S348-L351 PolarHBondContact O-N 3.41Å; S348-F352 WeakPolarHBondContact O-CB 3.17Å; S348-F352 PolarHBondContact O-N 3.45Å |
| 349 | D | 91.9 | Very high | 89.2 | Confident | 73 Ų | 73 | 58.5 Ų | 58.5 | 39% | 0.39 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.4 | -38.7 | 174.2 | -79.5 | -5.8 | 0 | 0 | 0 | 111.4 | R300 E345 S353 | R300-D349 IonicContact CZ-OD1 3.99Å; R300-D349 IonicContact NE-OD1 2.75Å; R300-D349 PolarHBondContact NE-OD1 3.48Å; R300-D349 IonicContact NH2-OD1 2.68Å; R300-D349 PolarHBondContact NH2-OD1 3.25Å; R300-D349 IonicContact NH2-OD2 3.15Å; E345-D349 PolarHBondContact O-N 3.4Å; D349-S353 WeakPolarHBondContact O-CB 3.47Å; D349-S353 PolarHBondContact O-N 2.88Å; D349-S353 VanDerWaalsContact O-N 3.08Å; D349-S353 PolarHBondContact O-OG 3.43Å |
| 350 | R | 92.1 | Very high | 88.6 | Confident | 144 Ų | 144 | 55 Ų | 55 | 54% | 0.543 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.9 | -43.1 | 174.9 | -173.5 | -179.9 | 175.2 | -175.8 | -3.5 | 112.3 | V347 S348 S353 M354 L370 | V347-R350 PolarHBondContact O-N 3.37Å; S348-R350 VanDerWaalsContact C-N 3.27Å; S348-R350 PolarHBondContact O-N 2.89Å; R350-S353 PolarHBondContact O-N 3.45Å; R350-S353 PolarHBondContact O-OG 2.84Å; R350-M354 VanDerWaalsContact O-CB 3.31Å; R350-M354 WeakPolarHBondContact O-CB 3.42Å; R350-M354 PolarHBondContact O-N 2.8Å; R350-M354 VanDerWaalsContact O-N 3.1Å; R350-L370 HydrophobicContact CB-CD1 4.28Å; R350-L370 HydrophobicContact CG-CD1 3.8Å |
| 351 | L | 91.8 | Very high | 88 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63 | -44 | 177.9 | 177.4 | 58.8 | 0 | 0 | 0 | 111 | W283 L284 P287 V347 S348 M354 S355 Q367 L370 A371 I374 | W283-L351 HydrophobicContact CH2-CB 4.41Å; W283-L351 HydrophobicContact CH2-CD2 4.21Å; W283-L351 HydrophobicContact CH2-CG 4.39Å; W283-L351 HydrophobicContact CZ2-CB 4.47Å; W283-L351 HydrophobicContact CZ2-CD2 4.11Å; W283-L351 HydrophobicContact CZ2-CG 4.09Å; L284-L351 HydrophobicContact CD2-CD2 3.6Å; P287-L351 HydrophobicContact CB-CD1 3.99Å; P287-L351 HydrophobicContact CB-CD2 4.21Å; P287-L351 HydrophobicContact CB-CG 4.22Å; P287-L351 HydrophobicContact CG-CD1 4.41Å; P287-L351 HydrophobicContact CG-CD2 4.35Å; V347-L351 PolarHBondContact O-N 3.37Å; S348-L351 PolarHBondContact O-N 3.41Å; L351-M354 PolarHBondContact O-N 3.24Å; L351-S355 PolarHBondContact O-N 2.96Å; L351-Q367 HydrophobicContact CD1-CB 4.11Å; L351-Q367 HydrophobicContact CD1-CG 3.97Å; L351-L370 HydrophobicContact CB-CB 4.39Å; L351-L370 HydrophobicContact CB-CD1 4.4Å; L351-L370 HydrophobicContact CD1-CB 4.26Å; L351-A371 HydrophobicContact CD2-CB 4.07Å; L351-I374 HydrophobicContact CB-CD1 4.04Å; L351-I374 HydrophobicContact CD2-CD1 3.67Å |
| 352 | F | 90 | Very high | 87.4 | Confident | 43 Ų | 43 | 64.6 Ų | 64.6 | 19% | 0.189 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.2 | -40.3 | 178.5 | -176.7 | -89 | 0 | 0 | 0 | 113.1 | W283 R292 H293 L296 S348 M354 S355 S356 | W283-F352 HydrophobicContact CH2-CB 4.31Å; W283-F352 HydrophobicContact CZ2-CB 4.05Å; W283-F352 HydrophobicContact CZ2-CD2 4.35Å; R292-F352 HydrophobicContact CB-CE2 4.41Å; R292-F352 HydrophobicContact CG-CE2 4.13Å; H293-F352 AromaticContact CE1-CZ 3.63Å; H293-F352 AromaticContact ND1-CE2 3.9Å; H293-F352 AromaticContact ND1-CZ 3.67Å; L296-F352 HydrophobicContact CB-CD2 4.16Å; L296-F352 HydrophobicContact CD1-CB 4.41Å; L296-F352 HydrophobicContact CD2-CB 4.07Å; L296-F352 HydrophobicContact CD2-CD1 4.03Å; L296-F352 HydrophobicContact CD2-CD2 3.73Å; L296-F352 HydrophobicContact CD2-CE1 4.4Å; L296-F352 HydrophobicContact CD2-CE2 4.12Å; L296-F352 HydrophobicContact CD2-CG 3.68Å; L296-F352 HydrophobicContact CD2-CZ 4.44Å; L296-F352 HydrophobicContact CG-CD2 4.5Å; S348-F352 WeakPolarHBondContact O-CB 3.17Å; S348-F352 PolarHBondContact O-N 3.45Å; F352-M354 VanDerWaalsContact C-N 3.26Å; F352-M354 PolarHBondContact O-N 3.02Å; F352-S355 PolarHBondContact O-OG 3.16Å; F352-S356 PolarHBondContact O-N 2.95Å; F352-S356 PolarHBondContact O-OG 3.43Å |
| 353 | S | 89.3 | Confident | 86.9 | Confident | 64 Ų | 64 | 61.5 Ų | 61.5 | 45% | 0.448 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -69.3 | -24.3 | 174.9 | 74.7 | 0 | 0 | 0 | 0 | 113.1 | D349 R350 Q357 | D349-S353 WeakPolarHBondContact O-CB 3.47Å; D349-S353 PolarHBondContact O-N 2.88Å; D349-S353 VanDerWaalsContact O-N 3.08Å; D349-S353 PolarHBondContact O-OG 3.43Å; R350-S353 PolarHBondContact O-N 3.45Å; R350-S353 PolarHBondContact O-OG 2.84Å; S353-Q357 PolarHBondContact O-NE2 2.88Å |
| 354 | M | 87 | Confident | 86.3 | Confident | 16 Ų | 16 | 63.7 Ų | 63.7 | 8% | 0.079 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -90.7 | -34 | 179.7 | -161.4 | 164.2 | 76.2 | 0 | 0 | 113 | R350 L351 F352 S356 Q357 N366 Q367 L370 | R350-M354 VanDerWaalsContact O-CB 3.31Å; R350-M354 WeakPolarHBondContact O-CB 3.42Å; R350-M354 PolarHBondContact O-N 2.8Å; R350-M354 VanDerWaalsContact O-N 3.1Å; L351-M354 PolarHBondContact O-N 3.24Å; F352-M354 VanDerWaalsContact C-N 3.26Å; F352-M354 PolarHBondContact O-N 3.02Å; M354-S356 PolarHBondContact O-N 3.37Å; M354-Q357 WeakPolarHBondContact O-CB 3.43Å; M354-Q357 PolarHBondContact O-N 2.79Å; M354-Q357 VanDerWaalsContact O-N 3.12Å; M354-N366 VanDerWaalsContact CE-C 3.43Å; M354-N366 HydrophobicContact CE-CB 3.55Å; M354-N366 HydrophobicContact SD-CB 4.2Å; M354-Q367 HydrophobicContact CE-CB 4.4Å; M354-Q367 HydrophobicContact CE-CG 3.7Å; M354-Q367 HydrophobicContact CG-CG 4.38Å; M354-Q367 PolarHBondContact O-NE2 3.46Å; M354-L370 HydrophobicContact CE-CD1 3.62Å; M354-L370 HydrophobicContact CE-CG 4.16Å |
| 355 | S | 84.9 | Confident | 85.9 | Confident | 5 Ų | 5 | 68.9 Ų | 68.9 | 4% | 0.035 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -68.8 | -23 | 174.2 | 73.8 | 0 | 0 | 0 | 0 | 112.6 | P287 R288 L351 F352 Q357 | P287-S355 WeakPolarHBondContact O-CB 3.44Å; P287-S355 PolarHBondContact O-OG 3.49Å; R288-S355 PolarHBondContact NH1-O 3.43Å; R288-S355 VanDerWaalsContact NH1-O 3.1Å; L351-S355 PolarHBondContact O-N 2.96Å; F352-S355 PolarHBondContact O-OG 3.16Å; S355-Q357 PolarHBondContact O-N 2.85Å |
| 356 | S | 81.6 | Confident | 85.7 | Confident | 65 Ų | 65 | 69.4 Ų | 69.4 | 46% | 0.455 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -3.6 | 170.8 | -58.5 | 0 | 0 | 0 | 0 | 114.5 | R292 F352 M354 | R292-S356 PolarHBondContact NH1-OG 2.7Å; F352-S356 PolarHBondContact O-N 2.95Å; F352-S356 PolarHBondContact O-OG 3.43Å; M354-S356 PolarHBondContact O-N 3.37Å |
| 357 | Q | 82.2 | Confident | 85.4 | Confident | 92 Ų | 92 | 63.3 Ų | 63.3 | 43% | 0.43 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -96.6 | 158.5 | 178.2 | -61.3 | 176.5 | 28.6 | 0 | 0 | 111.6 | R288 S353 M354 S355 | R288-Q357 PolarHBondContact NH1-O 3.31Å; R288-Q357 PolarHBondContact NH2-O 3.02Å; S353-Q357 PolarHBondContact O-NE2 2.88Å; M354-Q357 WeakPolarHBondContact O-CB 3.43Å; M354-Q357 PolarHBondContact O-N 2.79Å; M354-Q357 VanDerWaalsContact O-N 3.12Å; S355-Q357 PolarHBondContact O-N 2.85Å |
| 358 | P | 78.9 | Confident | 85 | Confident | 110 Ų | 110 | 67.2 Ų | 67.2 | 71% | 0.714 | 36% | 0.359 | S | S | * | . | P | Polyproline II helix | trans | -50.3 | 143.6 | 172.8 | -27.8 | 36 | 0 | 0 | 0 | 112.7 | T360 N363 | P358-T360 PolarHBondContact O-N 3.26Å; P358-N363 PolarHBondContact O-ND2 2.77Å |
| 359 | L | 77.3 | Confident | 84.8 | Confident | 103 Ų | 103 | 71.3 Ų | 71.3 | 54% | 0.539 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 125.5 | 177.6 | -169.6 | 68.8 | 0 | 0 | 0 | 109.7 | E364 | L359-E364 HydrophobicContact CD1-CB 3.93Å; L359-E364 HydrophobicContact CD1-CG 4.24Å |
| 360 | T | 79.4 | Confident | 84.8 | Confident | 65 Ų | 65 | 69 Ų | 69 | 40% | 0.399 | 37% | 0.368 | S | S | . | . | trans | -131 | 154.3 | 167.4 | 70.8 | 0 | 0 | 0 | 0 | 106.8 | P358 E362 N363 E364 | P358-T360 PolarHBondContact O-N 3.26Å; T360-E362 PolarHBondContact O-N 3.38Å; T360-N363 CarbonylContact O-C 3.51Å; T360-N363 WeakPolarHBondContact O-CA 3.48Å; T360-N363 PolarHBondContact O-N 2.99Å; T360-N363 VanDerWaalsContact OG1-CB 3.31Å; T360-N363 WeakPolarHBondContact OG1-CB 3.49Å; T360-N363 VanDerWaalsContact OG1-CG 3.29Å; T360-N363 PolarHBondContact OG1-N 3.4Å; T360-E364 WeakPolarHBondContact O-CB 3.4Å; T360-E364 PolarHBondContact O-N 2.94Å | ||
| 361 | A | 79 | Confident | 84.7 | Confident | 72 Ų | 72 | 62.1 Ų | 62.1 | 60% | 0.595 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -58.5 | -33.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | I365 | A361-I365 WeakPolarHBondContact O-CG1 3.39Å; A361-I365 PolarHBondContact O-N 3.44Å; A361-I365 VanDerWaalsContact O-N 3.14Å |
| 362 | E | 79.6 | Confident | 84.5 | Confident | 142 Ų | 142 | 63.5 Ų | 63.5 | 66% | 0.664 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -69.5 | -42.9 | 172.9 | -176.6 | 173.5 | -169.6 | 0 | 0 | 112 | T360 E364 N366 | T360-E362 PolarHBondContact O-N 3.38Å; E362-E364 VanDerWaalsContact C-N 3.28Å; E362-E364 PolarHBondContact O-N 3.18Å; E362-N366 WeakPolarHBondContact CG-ND2 3.49Å; E362-N366 WeakPolarHBondContact O-CB 3.38Å; E362-N366 PolarHBondContact O-N 3.38Å; E362-N366 PolarHBondContact O-ND2 2.92Å |
| 363 | N | 82.3 | Confident | 84.5 | Confident | 30 Ų | 30 | 62.9 Ų | 62.9 | 16% | 0.16 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.3 | -33 | 174.4 | -78.6 | -8.3 | 0 | 0 | 0 | 112.1 | P358 T360 Q367 | P358-N363 PolarHBondContact O-ND2 2.77Å; T360-N363 CarbonylContact O-C 3.51Å; T360-N363 WeakPolarHBondContact O-CA 3.48Å; T360-N363 PolarHBondContact O-N 2.99Å; T360-N363 VanDerWaalsContact OG1-CB 3.31Å; T360-N363 WeakPolarHBondContact OG1-CB 3.49Å; T360-N363 VanDerWaalsContact OG1-CG 3.29Å; T360-N363 PolarHBondContact OG1-N 3.4Å; N363-Q367 VanDerWaalsContact O-CB 3.23Å; N363-Q367 WeakPolarHBondContact O-CB 3.18Å; N363-Q367 WeakPolarHBondContact O-CG 3.37Å; N363-Q367 PolarHBondContact O-N 2.75Å |
| 364 | E | 80.5 | Confident | 84.7 | Confident | 111 Ų | 111 | 59.8 Ų | 59.8 | 52% | 0.519 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -68.6 | -50.7 | 178.7 | -169.8 | 178.1 | 171.6 | 0 | 0 | 111.7 | L359 T360 E362 N366 Q367 Q368 | L359-E364 HydrophobicContact CD1-CB 3.93Å; L359-E364 HydrophobicContact CD1-CG 4.24Å; T360-E364 WeakPolarHBondContact O-CB 3.4Å; T360-E364 PolarHBondContact O-N 2.94Å; E362-E364 VanDerWaalsContact C-N 3.28Å; E362-E364 PolarHBondContact O-N 3.18Å; E364-N366 PolarHBondContact O-N 3.4Å; E364-Q367 PolarHBondContact O-N 3.14Å; E364-Q367 VanDerWaalsContact O-N 3.16Å; E364-Q368 PolarHBondContact O-N 3.19Å |
| 365 | I | 84.9 | Confident | 84.8 | Confident | 109 Ų | 109 | 60.1 Ų | 60.1 | 56% | 0.559 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -59.2 | -48 | 175 | -65.6 | 165.6 | 0 | 0 | 0 | 110.1 | A361 Q367 Q368 D369 | A361-I365 WeakPolarHBondContact O-CG1 3.39Å; A361-I365 PolarHBondContact O-N 3.44Å; A361-I365 VanDerWaalsContact O-N 3.14Å; I365-Q367 VanDerWaalsContact C-N 3.31Å; I365-Q367 PolarHBondContact O-N 3.06Å; I365-Q368 PolarHBondContact O-N 3.31Å; I365-D369 PolarHBondContact O-N 3.41Å |
| 366 | N | 86.4 | Confident | 85 | Confident | 56 Ų | 56 | 66.1 Ų | 66.1 | 30% | 0.299 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.1 | -36.2 | 176.8 | -77.4 | -63.4 | 0 | 0 | 0 | 112.4 | M354 E362 E364 L370 | M354-N366 VanDerWaalsContact CE-C 3.43Å; M354-N366 HydrophobicContact CE-CB 3.55Å; M354-N366 HydrophobicContact SD-CB 4.2Å; E362-N366 WeakPolarHBondContact CG-ND2 3.49Å; E362-N366 WeakPolarHBondContact O-CB 3.38Å; E362-N366 PolarHBondContact O-N 3.38Å; E362-N366 PolarHBondContact O-ND2 2.92Å; E364-N366 PolarHBondContact O-N 3.4Å; N366-L370 VanDerWaalsContact O-CG 3.32Å; N366-L370 WeakPolarHBondContact O-CG 3.49Å; N366-L370 PolarHBondContact O-N 3.22Å |
| 367 | Q | 87.3 | Confident | 85.5 | Confident | 10 Ų | 10 | 64 Ų | 64 | 5% | 0.047 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.3 | -43.3 | 175.9 | -81.6 | 165.1 | 35.1 | 0 | 0 | 111 | L351 M354 N363 E364 I365 A371 | L351-Q367 HydrophobicContact CD1-CB 4.11Å; L351-Q367 HydrophobicContact CD1-CG 3.97Å; M354-Q367 HydrophobicContact CE-CB 4.4Å; M354-Q367 HydrophobicContact CE-CG 3.7Å; M354-Q367 HydrophobicContact CG-CG 4.38Å; M354-Q367 PolarHBondContact O-NE2 3.46Å; N363-Q367 VanDerWaalsContact O-CB 3.23Å; N363-Q367 WeakPolarHBondContact O-CB 3.18Å; N363-Q367 WeakPolarHBondContact O-CG 3.37Å; N363-Q367 PolarHBondContact O-N 2.75Å; E364-Q367 PolarHBondContact O-N 3.14Å; E364-Q367 VanDerWaalsContact O-N 3.16Å; I365-Q367 VanDerWaalsContact C-N 3.31Å; I365-Q367 PolarHBondContact O-N 3.06Å; Q367-A371 VanDerWaalsContact O-CB 3.24Å; Q367-A371 WeakPolarHBondContact O-CB 3.48Å; Q367-A371 PolarHBondContact O-N 3Å |
| 368 | Q | 86.2 | Confident | 85.9 | Confident | 101 Ų | 101 | 59.6 Ų | 59.6 | 47% | 0.472 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.8 | -41.6 | 176.7 | -172.6 | 58.7 | 48.9 | 0 | 0 | 112.2 | E364 I365 A371 M372 | E364-Q368 PolarHBondContact O-N 3.19Å; I365-Q368 PolarHBondContact O-N 3.31Å; Q368-A371 PolarHBondContact O-N 3.43Å; Q368-M372 HydrophobicContact CG-CE 4.17Å; Q368-M372 WeakPolarHBondContact O-CB 3.48Å; Q368-M372 VanDerWaalsContact O-CG 3.31Å; Q368-M372 WeakPolarHBondContact O-CG 3.41Å; Q368-M372 PolarHBondContact O-N 3.46Å |
| 369 | D | 88.8 | Confident | 86.3 | Confident | 86 Ų | 86 | 55 Ų | 55 | 46% | 0.46 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.3 | -43.5 | 178 | -81.3 | -24.5 | 0 | 0 | 0 | 112.5 | I365 A371 M372 A373 | I365-D369 PolarHBondContact O-N 3.41Å; D369-A371 VanDerWaalsContact C-N 3.35Å; D369-M372 PolarHBondContact O-N 3.33Å; D369-M372 WeakPolarHBondContact OD1-CE 3.39Å; D369-A373 WeakPolarHBondContact O-CB 3.47Å; D369-A373 PolarHBondContact O-N 3.26Å |
| 370 | L | 90.7 | Very high | 86.8 | Confident | 24 Ų | 24 | 54.1 Ų | 54.1 | 13% | 0.126 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.6 | -40.7 | 173.2 | -65.3 | -168.4 | 0 | 0 | 0 | 111.4 | V347 R350 L351 M354 N366 M372 A373 I374 | V347-L370 HydrophobicContact CG1-CB 4.11Å; V347-L370 HydrophobicContact CG1-CD2 3.92Å; V347-L370 HydrophobicContact CG1-CG 4.38Å; R350-L370 HydrophobicContact CB-CD1 4.28Å; R350-L370 HydrophobicContact CG-CD1 3.8Å; L351-L370 HydrophobicContact CB-CB 4.39Å; L351-L370 HydrophobicContact CB-CD1 4.4Å; L351-L370 HydrophobicContact CD1-CB 4.26Å; M354-L370 HydrophobicContact CE-CD1 3.62Å; M354-L370 HydrophobicContact CE-CG 4.16Å; N366-L370 VanDerWaalsContact O-CG 3.32Å; N366-L370 WeakPolarHBondContact O-CG 3.49Å; N366-L370 PolarHBondContact O-N 3.22Å; L370-M372 PolarHBondContact O-N 2.72Å; L370-A373 PolarHBondContact O-N 3.29Å; L370-I374 VanDerWaalsContact O-CG1 3.32Å; L370-I374 WeakPolarHBondContact O-CG1 3.24Å; L370-I374 PolarHBondContact O-N 3.48Å |
| 371 | A | 90 | Very high | 87.4 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.008 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.2 | -39.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L284 P287 L351 Q367 Q368 D369 S375 | L284-A371 HydrophobicContact CB-CB 4.39Å; L284-A371 HydrophobicContact CD2-CB 4.28Å; P287-A371 HydrophobicContact CG-CB 4.25Å; L351-A371 HydrophobicContact CD2-CB 4.07Å; Q367-A371 VanDerWaalsContact O-CB 3.24Å; Q367-A371 WeakPolarHBondContact O-CB 3.48Å; Q367-A371 PolarHBondContact O-N 3Å; Q368-A371 PolarHBondContact O-N 3.43Å; D369-A371 VanDerWaalsContact C-N 3.35Å; A371-S375 WeakPolarHBondContact O-CB 3.25Å; A371-S375 PolarHBondContact O-N 3.43Å; A371-S375 PolarHBondContact O-OG 2.91Å |
| 372 | M | 89.1 | Confident | 87.8 | Confident | 28 Ų | 28 | 48.2 Ų | 48.2 | 14% | 0.138 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67 | -36 | 173.1 | -73 | -173.6 | -60 | 0 | 0 | 112.7 | Q368 D369 L370 R376 | Q368-M372 HydrophobicContact CG-CE 4.17Å; Q368-M372 WeakPolarHBondContact O-CB 3.48Å; Q368-M372 VanDerWaalsContact O-CG 3.31Å; Q368-M372 WeakPolarHBondContact O-CG 3.41Å; Q368-M372 PolarHBondContact O-N 3.46Å; D369-M372 PolarHBondContact O-N 3.33Å; D369-M372 WeakPolarHBondContact OD1-CE 3.39Å; L370-M372 PolarHBondContact O-N 2.72Å; M372-R376 WeakPolarHBondContact O-CG 3.39Å; M372-R376 PolarHBondContact O-N 3Å; M372-R376 VanDerWaalsContact O-N 3.16Å |
| 373 | A | 90.1 | Very high | 88.2 | Confident | 30 Ų | 30 | 45.4 Ų | 45.4 | 25% | 0.248 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.6 | -53.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | D369 L370 S375 R376 S377 | D369-A373 WeakPolarHBondContact O-CB 3.47Å; D369-A373 PolarHBondContact O-N 3.26Å; L370-A373 PolarHBondContact O-N 3.29Å; A373-S375 VanDerWaalsContact C-N 3.3Å; A373-S375 PolarHBondContact O-N 2.77Å; A373-R376 PolarHBondContact O-N 3.02Å; A373-R376 VanDerWaalsContact O-N 3.15Å; A373-S377 PolarHBondContact O-N 3.3Å; A373-S377 VanDerWaalsContact O-N 3.08Å; A373-S377 PolarHBondContact O-OG 3.06Å |
| 374 | I | 91.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.3 | -43.7 | 177.4 | -57 | 158.3 | 0 | 0 | 0 | 110.4 | L284 V344 V347 L351 L370 R376 S377 L378 | L284-I374 HydrophobicContact CD1-CB 3.93Å; L284-I374 HydrophobicContact CD1-CG2 3.66Å; L284-I374 HydrophobicContact CD2-CB 3.94Å; L284-I374 HydrophobicContact CD2-CD1 3.68Å; L284-I374 HydrophobicContact CD2-CG1 4.44Å; L284-I374 HydrophobicContact CD2-CG2 4.04Å; L284-I374 HydrophobicContact CG-CG2 4.49Å; V344-I374 HydrophobicContact CG1-CG2 4.26Å; V344-I374 HydrophobicContact CG2-CG2 4.4Å; V347-I374 HydrophobicContact CB-CD1 4.47Å; V347-I374 HydrophobicContact CB-CG1 3.94Å; V347-I374 HydrophobicContact CG1-CD1 3.98Å; V347-I374 HydrophobicContact CG1-CG1 3.63Å; L351-I374 HydrophobicContact CB-CD1 4.04Å; L351-I374 HydrophobicContact CD2-CD1 3.67Å; L370-I374 VanDerWaalsContact O-CG1 3.32Å; L370-I374 WeakPolarHBondContact O-CG1 3.24Å; L370-I374 PolarHBondContact O-N 3.48Å; I374-R376 VanDerWaalsContact C-N 3.29Å; I374-R376 PolarHBondContact O-N 3.13Å; I374-S377 PolarHBondContact O-N 2.7Å; I374-L378 HydrophobicContact CG2-CD1 3.84Å; I374-L378 HydrophobicContact CG2-CG 4.04Å; I374-L378 WeakPolarHBondContact O-CB 3.47Å; I374-L378 WeakPolarHBondContact O-CG 3.48Å; I374-L378 PolarHBondContact O-N 2.72Å |
| 375 | S | 89.7 | Confident | 88.8 | Confident | 22 Ų | 22 | 39.4 Ų | 39.4 | 15% | 0.154 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.1 | -38.7 | 179.2 | -60.9 | 0 | 0 | 0 | 0 | 112.8 | L284 A371 A373 A379 | L284-S375 WeakPolarHBondContact CD1-OG 3.34Å; A371-S375 WeakPolarHBondContact O-CB 3.25Å; A371-S375 PolarHBondContact O-N 3.43Å; A371-S375 PolarHBondContact O-OG 2.91Å; A373-S375 VanDerWaalsContact C-N 3.3Å; A373-S375 PolarHBondContact O-N 2.77Å; S375-A379 WeakPolarHBondContact O-CB 3.36Å; S375-A379 PolarHBondContact O-N 3.28Å; S375-A379 VanDerWaalsContact O-N 3.1Å |
| 376 | R | 90 | Very high | 88.8 | Confident | 131 Ų | 131 | 35.5 Ų | 35.5 | 49% | 0.494 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -71.6 | -43.5 | 177.1 | -70.3 | 172.2 | -169.6 | 160.7 | 8.6 | 111.9 | M372 A373 I374 A379 Y380 I1116 | M372-R376 WeakPolarHBondContact O-CG 3.39Å; M372-R376 PolarHBondContact O-N 3Å; M372-R376 VanDerWaalsContact O-N 3.16Å; A373-R376 PolarHBondContact O-N 3.02Å; A373-R376 VanDerWaalsContact O-N 3.15Å; I374-R376 VanDerWaalsContact C-N 3.29Å; I374-R376 PolarHBondContact O-N 3.13Å; R376-A379 PolarHBondContact O-N 3.22Å; R376-Y380 PolarHBondContact O-N 3.46Å; R376-I1116 HydrophobicContact CG-CD1 4.41Å |
| 377 | S | 91.3 | Very high | 88.7 | Confident | 20 Ų | 20 | 37.4 Ų | 37.4 | 14% | 0.14 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.8 | -42.1 | 176.6 | -60.8 | 0 | 0 | 0 | 0 | 111.8 | H343 A373 I374 A379 Y380 I381 | H343-S377 PolarHBondContact CD2-OG 3.38Å; A373-S377 PolarHBondContact O-N 3.3Å; A373-S377 VanDerWaalsContact O-N 3.08Å; A373-S377 PolarHBondContact O-OG 3.06Å; I374-S377 PolarHBondContact O-N 2.7Å; S377-A379 PolarHBondContact O-N 3.37Å; S377-Y380 PolarHBondContact O-N 3.12Å; S377-I381 WeakPolarHBondContact O-CD1 3.38Å; S377-I381 VanDerWaalsContact O-CG1 3.24Å; S377-I381 WeakPolarHBondContact O-CG1 3.16Å; S377-I381 PolarHBondContact O-N 3.36Å |
| 378 | L | 90.2 | Very high | 88.6 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.9 | -43.7 | 173.7 | -75.2 | 176 | 0 | 0 | 0 | 112.4 | L277 A280 L284 L302 V344 I374 I381 W382 | L277-L378 HydrophobicContact CD1-CB 3.78Å; L277-L378 HydrophobicContact CD1-CD1 4.44Å; L277-L378 HydrophobicContact CD1-CD2 4.45Å; L277-L378 HydrophobicContact CD1-CG 4.46Å; A280-L378 HydrophobicContact CB-CD1 3.78Å; L284-L378 HydrophobicContact CD1-CD1 3.62Å; L302-L378 HydrophobicContact CD1-CD2 4.22Å; L302-L378 HydrophobicContact CD2-CD2 3.84Å; V344-L378 HydrophobicContact CG1-CD2 3.89Å; V344-L378 HydrophobicContact CG1-CG 4.43Å; V344-L378 HydrophobicContact CG2-CD2 3.97Å; V344-L378 HydrophobicContact CG2-CG 4.04Å; I374-L378 HydrophobicContact CG2-CD1 3.84Å; I374-L378 HydrophobicContact CG2-CG 4.04Å; I374-L378 WeakPolarHBondContact O-CB 3.47Å; I374-L378 WeakPolarHBondContact O-CG 3.48Å; I374-L378 PolarHBondContact O-N 2.72Å; L378-I381 PolarHBondContact O-N 3.42Å; L378-W382 WeakPolarHBondContact O-CB 3.24Å; L378-W382 PolarHBondContact O-N 2.97Å |
| 379 | A | 86.9 | Confident | 88.7 | Confident | 13 Ų | 13 | 32.3 Ų | 32.3 | 11% | 0.107 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64 | -39.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S375 R376 S377 W382 Q383 | S375-A379 WeakPolarHBondContact O-CB 3.36Å; S375-A379 PolarHBondContact O-N 3.28Å; S375-A379 VanDerWaalsContact O-N 3.1Å; R376-A379 PolarHBondContact O-N 3.22Å; S377-A379 PolarHBondContact O-N 3.37Å; A379-W382 PolarHBondContact O-N 3.33Å; A379-Q383 WeakPolarHBondContact O-CG 3.41Å; A379-Q383 PolarHBondContact O-N 2.77Å |
| 380 | Y | 89.4 | Confident | 88.7 | Confident | 86 Ų | 86 | 28.6 Ų | 28.6 | 34% | 0.337 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -67.1 | -44.1 | 176 | 176.9 | -105.6 | 0 | 0 | 0 | 112.9 | A336 C337 A340 R376 S377 W382 Q383 T384 | A336-Y380 HydrophobicContact CB-CE1 4.47Å; C337-Y380 HydrophobicContact CB-CE1 4.38Å; A340-Y380 HydrophobicContact CB-CD1 3.82Å; A340-Y380 HydrophobicContact CB-CE1 4.26Å; R376-Y380 PolarHBondContact O-N 3.46Å; S377-Y380 PolarHBondContact O-N 3.12Å; Y380-W382 VanDerWaalsContact C-N 3.33Å; Y380-W382 PolarHBondContact O-N 2.88Å; Y380-Q383 PolarHBondContact O-N 3.01Å; Y380-T384 WeakPolarHBondContact O-CB 3.22Å; Y380-T384 PolarHBondContact O-N 3.25Å; Y380-T384 PolarHBondContact O-OG1 3.48Å |
| 381 | I | 90.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.2 | -48.2 | 173.2 | -65.9 | 160 | 0 | 0 | 0 | 109.5 | L302 A306 A340 V344 S377 L378 T384 L385 | L302-I381 HydrophobicContact CD2-CB 4.47Å; L302-I381 HydrophobicContact CD2-CG2 3.78Å; A306-I381 HydrophobicContact CB-CG2 3.62Å; A340-I381 HydrophobicContact CB-CD1 4.18Å; A340-I381 HydrophobicContact CB-CG1 3.82Å; V344-I381 HydrophobicContact CB-CD1 4.47Å; V344-I381 HydrophobicContact CG2-CD1 3.68Å; S377-I381 WeakPolarHBondContact O-CD1 3.38Å; S377-I381 VanDerWaalsContact O-CG1 3.24Å; S377-I381 WeakPolarHBondContact O-CG1 3.16Å; S377-I381 PolarHBondContact O-N 3.36Å; L378-I381 PolarHBondContact O-N 3.42Å; I381-T384 PolarHBondContact O-N 3.49Å; I381-L385 HydrophobicContact CG2-CD1 4.13Å; I381-L385 HydrophobicContact CG2-CG 4.3Å; I381-L385 WeakPolarHBondContact O-CG 3.47Å; I381-L385 PolarHBondContact O-N 3.27Å |
| 382 | W | 89.2 | Confident | 88.5 | Confident | 12 Ų | 12 | 32.1 Ų | 32.1 | 5% | 0.045 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -57.6 | -52.5 | 179.3 | -176.7 | -106.5 | 0 | 0 | 0 | 112.4 | L273 E274 L277 L378 A379 Y380 T384 L385 E386 K449 | L273-W382 HydrophobicContact CB-CZ3 4.06Å; E274-W382 HydrophobicContact CB-CH2 3.56Å; E274-W382 HydrophobicContact CB-CZ2 4.09Å; E274-W382 HydrophobicContact CB-CZ3 4.15Å; E274-W382 HydrophobicContact CG-CH2 3.89Å; E274-W382 HydrophobicContact CG-CZ2 3.88Å; L277-W382 HydrophobicContact CD2-CB 3.76Å; L277-W382 HydrophobicContact CD2-CD2 3.49Å; L277-W382 VanDerWaalsContact CD2-CD2 3.49Å; L277-W382 HydrophobicContact CD2-CE3 3.84Å; L277-W382 HydrophobicContact CD2-CG 3.41Å; L277-W382 VanDerWaalsContact CD2-CG 3.41Å; L378-W382 WeakPolarHBondContact O-CB 3.24Å; L378-W382 PolarHBondContact O-N 2.97Å; A379-W382 PolarHBondContact O-N 3.33Å; Y380-W382 VanDerWaalsContact C-N 3.33Å; Y380-W382 PolarHBondContact O-N 2.88Å; W382-T384 PolarHBondContact O-N 3.5Å; W382-L385 PolarHBondContact O-N 3.37Å; W382-L385 VanDerWaalsContact O-N 3.12Å; W382-E386 HydrophobicContact CD2-CG 4.3Å; W382-E386 HydrophobicContact CZ2-CG 3.92Å; W382-E386 PolarHBondContact NE1-OE1 3.4Å; W382-E386 PolarHBondContact NE1-OE2 3.18Å; W382-E386 WeakPolarHBondContact O-CG 3.29Å; W382-E386 PolarHBondContact O-N 3.21Å; W382-K449 HydrophobicContact CH2-CB 4.28Å; W382-K449 HydrophobicContact CZ2-CD 4.48Å; W382-K449 HydrophobicContact CZ2-CG 4.41Å |
| 383 | Q | 87.1 | Confident | 88.6 | Confident | 83 Ų | 83 | 30.8 Ų | 30.8 | 39% | 0.388 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -58.3 | -36 | 178.3 | -73.1 | 173.7 | -2.9 | 0 | 0 | 112.5 | A379 Y380 K387 | A379-Q383 WeakPolarHBondContact O-CG 3.41Å; A379-Q383 PolarHBondContact O-N 2.77Å; Y380-Q383 PolarHBondContact O-N 3.01Å; Q383-K387 WeakPolarHBondContact O-CB 3.27Å; Q383-K387 PolarHBondContact O-N 3Å |
| 384 | T | 87.6 | Confident | 88.6 | Confident | 11 Ų | 11 | 29.4 Ų | 29.4 | 7% | 0.067 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -71.8 | -41.4 | 177.3 | -57.6 | 0 | 0 | 0 | 0 | 111.5 | C337 Y380 I381 W382 K387 L388 | C337-T384 HydrophobicContact CB-CG2 3.9Å; Y380-T384 WeakPolarHBondContact O-CB 3.22Å; Y380-T384 PolarHBondContact O-N 3.25Å; Y380-T384 PolarHBondContact O-OG1 3.48Å; I381-T384 PolarHBondContact O-N 3.49Å; W382-T384 PolarHBondContact O-N 3.5Å; T384-K387 PolarHBondContact O-N 2.95Å; T384-L388 HydrophobicContact CG2-CD1 4.08Å; T384-L388 HydrophobicContact CG2-CG 4.46Å; T384-L388 WeakPolarHBondContact O-CB 3.31Å; T384-L388 VanDerWaalsContact O-CG 3.31Å; T384-L388 WeakPolarHBondContact O-CG 3.4Å; T384-L388 PolarHBondContact O-N 2.93Å |
| 385 | L | 87.1 | Confident | 88.4 | Confident | 4 Ų | 4 | 32.4 Ų | 32.4 | 2% | 0.021 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.8 | -40.4 | 173.6 | -68.3 | -177 | 0 | 0 | 0 | 112.3 | L273 A306 I309 I381 W382 L388 L389 | L273-L385 HydrophobicContact CD1-CD1 3.85Å; A306-L385 HydrophobicContact CB-CD1 3.84Å; A306-L385 HydrophobicContact CB-CD2 4.09Å; A306-L385 HydrophobicContact CB-CG 4.28Å; I309-L385 HydrophobicContact CB-CD2 4.05Å; I309-L385 HydrophobicContact CD1-CD1 4.27Å; I309-L385 HydrophobicContact CD1-CD2 3.89Å; I309-L385 HydrophobicContact CG2-CD2 4.1Å; I381-L385 HydrophobicContact CG2-CD1 4.13Å; I381-L385 HydrophobicContact CG2-CG 4.3Å; I381-L385 WeakPolarHBondContact O-CG 3.47Å; I381-L385 PolarHBondContact O-N 3.27Å; W382-L385 PolarHBondContact O-N 3.37Å; W382-L385 VanDerWaalsContact O-N 3.12Å; L385-L388 PolarHBondContact O-N 2.75Å; L385-L389 WeakPolarHBondContact O-CB 3.49Å; L385-L389 PolarHBondContact O-N 3.48Å |
| 386 | E | 85.1 | Confident | 88.5 | Confident | 27 Ų | 27 | 32.9 Ų | 32.9 | 13% | 0.126 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.5 | -42.6 | 174.8 | -70.4 | -167.3 | 122.2 | 0 | 0 | 112.1 | W382 T390 K449 | W382-E386 HydrophobicContact CD2-CG 4.3Å; W382-E386 HydrophobicContact CZ2-CG 3.92Å; W382-E386 PolarHBondContact NE1-OE1 3.4Å; W382-E386 PolarHBondContact NE1-OE2 3.18Å; W382-E386 WeakPolarHBondContact O-CG 3.29Å; W382-E386 PolarHBondContact O-N 3.21Å; E386-T390 WeakPolarHBondContact O-CB 3.42Å; E386-T390 PolarHBondContact O-N 2.89Å; E386-T390 PolarHBondContact O-OG1 3.41Å; E386-K449 HydrophobicContact CG-CD 4.35Å; E386-K449 WeakPolarHBondContact OE1-CD 3.4Å; E386-K449 WeakPolarHBondContact OE1-CE 3.37Å; E386-K449 IonicContact OE1-NZ 3.75Å; E386-K449 PolarHBondContact OE1-NZ 3.19Å |
| 387 | K | 85.1 | Confident | 88.6 | Confident | 96 Ų | 96 | 26.7 Ų | 26.7 | 42% | 0.417 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -59.4 | -49.1 | 173.5 | -178.8 | -163.2 | 165.9 | -155.8 | 0 | 110.9 | D330 Q383 T384 T390 R391 | D330-K387 IonicContact OD1-NZ 2.77Å; D330-K387 PolarHBondContact OD1-NZ 3.08Å; Q383-K387 WeakPolarHBondContact O-CB 3.27Å; Q383-K387 PolarHBondContact O-N 3Å; T384-K387 PolarHBondContact O-N 2.95Å; K387-T390 PolarHBondContact O-N 2.96Å; K387-R391 WeakPolarHBondContact O-CB 3.38Å; K387-R391 PolarHBondContact O-N 3.31Å |
| 388 | L | 85.9 | Confident | 88.6 | Confident | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.01 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.4 | -49.5 | -178.9 | -74.5 | 171.1 | 0 | 0 | 0 | 111.9 | I310 T384 L385 T390 R391 Q392 | I310-L388 HydrophobicContact CG1-CD1 3.94Å; T384-L388 HydrophobicContact CG2-CD1 4.08Å; T384-L388 HydrophobicContact CG2-CG 4.46Å; T384-L388 WeakPolarHBondContact O-CB 3.31Å; T384-L388 VanDerWaalsContact O-CG 3.31Å; T384-L388 WeakPolarHBondContact O-CG 3.4Å; T384-L388 PolarHBondContact O-N 2.93Å; L385-L388 PolarHBondContact O-N 2.75Å; L388-T390 PolarHBondContact O-N 2.92Å; L388-R391 PolarHBondContact O-N 3.39Å; L388-Q392 WeakPolarHBondContact O-CB 3.4Å; L388-Q392 PolarHBondContact O-N 2.98Å |
| 389 | L | 87.2 | Confident | 88.6 | Confident | 3 Ų | 3 | 28.8 Ų | 28.8 | 2% | 0.016 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -55.8 | -50.3 | 175.4 | 177.3 | 72.3 | 0 | 0 | 0 | 111 | L385 R391 Q392 I393 L444 A445 T448 K449 | L385-L389 WeakPolarHBondContact O-CB 3.49Å; L385-L389 PolarHBondContact O-N 3.48Å; L389-R391 VanDerWaalsContact C-N 3.35Å; L389-R391 PolarHBondContact O-N 3.23Å; L389-Q392 PolarHBondContact O-N 3.35Å; L389-I393 HydrophobicContact CD1-CD1 3.79Å; L389-I393 HydrophobicContact CD1-CG1 4.39Å; L389-I393 HydrophobicContact CD2-CD1 4.47Å; L389-I393 HydrophobicContact CG-CD1 3.74Å; L389-I393 WeakPolarHBondContact O-CB 3.31Å; L389-I393 VanDerWaalsContact O-CG1 3.29Å; L389-I393 WeakPolarHBondContact O-CG1 3.4Å; L389-I393 PolarHBondContact O-N 3.2Å; L389-L444 HydrophobicContact CD1-CD2 4.02Å; L389-L444 HydrophobicContact CD1-CG 3.79Å; L389-A445 HydrophobicContact CD1-CB 4.14Å; L389-T448 WeakPolarHBondContact CD2-OG1 3.29Å; L389-K449 HydrophobicContact CD2-CB 3.9Å; L389-K449 HydrophobicContact CD2-CD 4.43Å |
| 390 | T | 89.4 | Confident | 88.7 | Confident | 8 Ų | 8 | 28.4 Ų | 28.4 | 5% | 0.049 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.2 | -42.7 | -179.9 | -59 | 0 | 0 | 0 | 0 | 111.6 | E386 K387 L388 A394 V527 A531 A535 | E386-T390 WeakPolarHBondContact O-CB 3.42Å; E386-T390 PolarHBondContact O-N 2.89Å; E386-T390 PolarHBondContact O-OG1 3.41Å; K387-T390 PolarHBondContact O-N 2.96Å; L388-T390 PolarHBondContact O-N 2.92Å; T390-A394 WeakPolarHBondContact O-CB 3.32Å; T390-A394 PolarHBondContact O-N 3.28Å; T390-V527 HydrophobicContact CG2-CG1 3.56Å; T390-A531 HydrophobicContact CG2-CB 3.96Å; T390-A531 WeakPolarHBondContact CG2-O 3.47Å; T390-A535 HydrophobicContact CG2-CB 4.01Å |
| 391 | R | 88 | Confident | 88.8 | Confident | 62 Ų | 62 | 26.4 Ų | 26.4 | 23% | 0.234 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.4 | -49.3 | 174.6 | -174.4 | -174.8 | 70.5 | 142.4 | 13.1 | 111.3 | D330 K387 L388 L389 A394 E395 | D330-R391 IonicContact OD2-CZ 2.69Å; D330-R391 IonicContact OD2-NH1 3.81Å; D330-R391 PolarHBondContact OD2-NH1 2.83Å; K387-R391 WeakPolarHBondContact O-CB 3.38Å; K387-R391 PolarHBondContact O-N 3.31Å; L388-R391 PolarHBondContact O-N 3.39Å; L389-R391 VanDerWaalsContact C-N 3.35Å; L389-R391 PolarHBondContact O-N 3.23Å; R391-A394 PolarHBondContact O-N 2.64Å; R391-E395 WeakPolarHBondContact CG-OE1 3.47Å; R391-E395 WeakPolarHBondContact O-CB 3.36Å; R391-E395 WeakPolarHBondContact O-CG 3.14Å; R391-E395 PolarHBondContact O-N 3.04Å |
| 392 | Q | 88.2 | Confident | 88.8 | Confident | 37 Ų | 37 | 27 Ų | 27 | 17% | 0.173 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.7 | -44 | -178.1 | -172.2 | 176.7 | -24.9 | 0 | 0 | 111.9 | L388 L389 E395 V396 T441 | L388-Q392 WeakPolarHBondContact O-CB 3.4Å; L388-Q392 PolarHBondContact O-N 2.98Å; L389-Q392 PolarHBondContact O-N 3.35Å; Q392-E395 PolarHBondContact O-N 2.9Å; Q392-V396 HydrophobicContact CG-CG2 4.12Å; Q392-V396 WeakPolarHBondContact O-CB 3.43Å; Q392-V396 WeakPolarHBondContact O-CG2 3.43Å; Q392-V396 PolarHBondContact O-N 3.14Å; Q392-T441 HydrophobicContact CB-CG2 4.48Å; Q392-T441 HydrophobicContact CG-CG2 3.83Å; Q392-T441 PolarHBondContact NE2-OG1 3.34Å |
| 393 | I | 90.6 | Very high | 89 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60 | -49.8 | 173.8 | -70.6 | 169 | 0 | 0 | 0 | 110.7 | L389 E395 Y397 T441 A445 V523 V527 F532 | L389-I393 HydrophobicContact CD1-CD1 3.79Å; L389-I393 HydrophobicContact CD1-CG1 4.39Å; L389-I393 HydrophobicContact CD2-CD1 4.47Å; L389-I393 HydrophobicContact CG-CD1 3.74Å; L389-I393 WeakPolarHBondContact O-CB 3.31Å; L389-I393 VanDerWaalsContact O-CG1 3.29Å; L389-I393 WeakPolarHBondContact O-CG1 3.4Å; L389-I393 PolarHBondContact O-N 3.2Å; I393-E395 PolarHBondContact O-N 3.39Å; I393-Y397 HydrophobicContact CG2-CD2 4.41Å; I393-Y397 WeakPolarHBondContact O-CB 3.39Å; I393-Y397 PolarHBondContact O-N 3.23Å; I393-Y397 VanDerWaalsContact O-N 3.1Å; I393-T441 HydrophobicContact CG1-CG2 3.87Å; I393-A445 HydrophobicContact CD1-CB 4.37Å; I393-V523 HydrophobicContact CB-CG1 4.11Å; I393-V523 HydrophobicContact CD1-CG1 3.49Å; I393-V523 VanDerWaalsContact CD1-CG1 3.49Å; I393-V523 HydrophobicContact CG1-CG1 3.47Å; I393-V523 VanDerWaalsContact CG1-CG1 3.47Å; I393-V523 HydrophobicContact CG2-CG1 3.57Å; I393-V527 HydrophobicContact CD1-CG2 3.36Å; I393-V527 HydrophobicContact CG2-CG2 4.3Å; I393-F532 HydrophobicContact CG2-CE2 4.23Å |
| 394 | A | 90.4 | Very high | 89.3 | Confident | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.008 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -64.8 | -17.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | T390 R391 T398 F532 A535 Q536 R569 | T390-A394 WeakPolarHBondContact O-CB 3.32Å; T390-A394 PolarHBondContact O-N 3.28Å; R391-A394 PolarHBondContact O-N 2.64Å; A394-T398 PolarHBondContact O-OG1 3.49Å; A394-F532 HydrophobicContact CB-CD2 4.45Å; A394-F532 HydrophobicContact CB-CE2 4.39Å; A394-A535 HydrophobicContact CB-CB 3.68Å; A394-Q536 HydrophobicContact CB-CG 4.37Å; A394-Q536 PolarHBondContact O-NE2 3.25Å; A394-Q536 PolarHBondContact O-OE1 3.21Å; A394-R569 PolarHBondContact O-NH1 2.84Å |
| 395 | E | 88.8 | Confident | 89.6 | Confident | 62 Ų | 62 | 28.3 Ų | 28.3 | 29% | 0.29 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -95.8 | -52.9 | 175.2 | -69.8 | -177.5 | -154.3 | 0 | 0 | 112.2 | R391 Q392 I393 T398 R542 | R391-E395 WeakPolarHBondContact CG-OE1 3.47Å; R391-E395 WeakPolarHBondContact O-CB 3.36Å; R391-E395 WeakPolarHBondContact O-CG 3.14Å; R391-E395 PolarHBondContact O-N 3.04Å; Q392-E395 PolarHBondContact O-N 2.9Å; I393-E395 PolarHBondContact O-N 3.39Å; E395-T398 PolarHBondContact O-N 2.99Å; E395-R542 IonicContact OE1-CZ 2.69Å; E395-R542 VanDerWaalsContact OE1-CZ 3.27Å; E395-R542 IonicContact OE1-NH1 2.69Å; E395-R542 PolarHBondContact OE1-NH1 3.36Å; E395-R542 IonicContact OE1-NH2 2.73Å; E395-R542 PolarHBondContact OE1-NH2 3.3Å; E395-R542 IonicContact OE2-CZ 3.84Å; E395-R542 IonicContact OE2-NH1 3.72Å; E395-R542 PolarHBondContact OE2-NH1 3.03Å |
| 396 | V | 91.6 | Very high | 89.8 | Confident | 33 Ų | 33 | 31.2 Ų | 31.2 | 20% | 0.2 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67.3 | -40.6 | -174.7 | 177.3 | 0 | 0 | 0 | 0 | 112.2 | Q392 T398 Q437 L438 | Q392-V396 HydrophobicContact CG-CG2 4.12Å; Q392-V396 WeakPolarHBondContact O-CB 3.43Å; Q392-V396 WeakPolarHBondContact O-CG2 3.43Å; Q392-V396 PolarHBondContact O-N 3.14Å; V396-T398 VanDerWaalsContact C-N 3.33Å; V396-T398 PolarHBondContact O-N 2.92Å; V396-Q437 HydrophobicContact CG1-CB 4.23Å; V396-L438 HydrophobicContact CG1-CD2 3.94Å; V396-L438 HydrophobicContact CG1-CG 4.32Å |
| 397 | Y | 92 | Very high | 90.2 | Very high | 1 Ų | 1 | 30 Ų | 30 | 0% | 0.004 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -86 | 3.9 | -178 | -72.5 | -92.9 | 0 | 0 | 0 | 114.3 | I393 D399 L400 L438 T441 M519 R520 V523 R572 | I393-Y397 HydrophobicContact CG2-CD2 4.41Å; I393-Y397 WeakPolarHBondContact O-CB 3.39Å; I393-Y397 PolarHBondContact O-N 3.23Å; I393-Y397 VanDerWaalsContact O-N 3.1Å; Y397-D399 VanDerWaalsContact C-N 3.33Å; Y397-D399 PolarHBondContact O-N 3.01Å; Y397-L400 HydrophobicContact CD1-CD1 3.87Å; Y397-L400 HydrophobicContact CE1-CD1 4.2Å; Y397-L438 HydrophobicContact CD1-CD2 3.64Å; Y397-L438 HydrophobicContact CD2-CD2 4.36Å; Y397-L438 HydrophobicContact CE1-CD2 3.45Å; Y397-L438 VanDerWaalsContact CE1-CD2 3.45Å; Y397-L438 HydrophobicContact CE2-CD2 4.19Å; Y397-L438 HydrophobicContact CG-CD2 4.11Å; Y397-L438 PolarHBondContact OH-O 2.88Å; Y397-T441 HydrophobicContact CD2-CG2 4.4Å; Y397-T441 HydrophobicContact CE2-CG2 3.87Å; Y397-M519 HydrophobicContact CE1-SD 4.21Å; Y397-M519 WeakPolarHBondContact OH-CE 3.44Å; Y397-M519 PolarHBondContact OH-SD 3.44Å; Y397-R520 HydrophobicContact CD1-CB 3.66Å; Y397-R520 HydrophobicContact CD1-CG 3.65Å; Y397-R520 HydrophobicContact CE1-CB 3.99Å; Y397-R520 HydrophobicContact CE1-CG 4.44Å; Y397-R520 HydrophobicContact CG-CG 4.25Å; Y397-V523 HydrophobicContact CD2-CG1 4.13Å; Y397-V523 HydrophobicContact CE2-CB 4.46Å; Y397-V523 HydrophobicContact CE2-CG1 3.82Å; Y397-V523 HydrophobicContact CE2-CG2 4.47Å; Y397-R572 WeakPolarHBondContact O-CD 3.24Å |
| 398 | T | 90.8 | Very high | 90.6 | Very high | 15 Ų | 15 | 27 Ų | 27 | 9% | 0.092 | 13% | 0.132 | C | C | . | . | G | 310 helix | trans | -62.2 | -36.2 | 176 | -74.3 | 0 | 0 | 0 | 0 | 113.1 | A394 E395 V396 R568 R569 | A394-T398 PolarHBondContact O-OG1 3.49Å; E395-T398 PolarHBondContact O-N 2.99Å; V396-T398 VanDerWaalsContact C-N 3.33Å; V396-T398 PolarHBondContact O-N 2.92Å; T398-R568 HydrophobicContact CG2-CB 3.69Å; T398-R569 HydrophobicContact CG2-CG 3.92Å; T398-R569 PolarHBondContact OG1-NH1 3.4Å |
| 399 | D | 89.4 | Confident | 90.8 | Very high | 48 Ų | 48 | 31.1 Ų | 31.1 | 26% | 0.257 | 15% | 0.151 | S | C | . | . | G | 310 helix | trans | -127.9 | 55.7 | -172.6 | -168.8 | 36.5 | 0 | 0 | 0 | 113.5 | Y397 V401 G402 Q434 R568 | Y397-D399 VanDerWaalsContact C-N 3.33Å; Y397-D399 PolarHBondContact O-N 3.01Å; D399-V401 PolarHBondContact O-N 2.87Å; D399-G402 PolarHBondContact O-N 3.35Å; D399-Q434 PolarHBondContact O-NE2 2.72Å; D399-R568 VanDerWaalsContact OD1-CD 3.27Å; D399-R568 WeakPolarHBondContact OD1-CD 3.36Å; D399-R568 IonicContact OD1-CZ 3.77Å; D399-R568 IonicContact OD1-NE 2.69Å; D399-R568 IonicContact OD1-NH1 2.36Å; D399-R568 PolarHBondContact OD1-NH1 2.64Å; D399-R568 IonicContact OD2-CZ 2.75Å; D399-R568 IonicContact OD2-NH1 2.67Å; D399-R568 PolarHBondContact OD2-NH1 3.46Å |
| 400 | L | 90.4 | Very high | 91 | Very high | 6 Ų | 6 | 31.3 Ų | 31.3 | 3% | 0.031 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -30.7 | -170.2 | -168.8 | 70.4 | 0 | 0 | 0 | 115.7 | Y397 L438 W512 A516 E517 R520 | Y397-L400 HydrophobicContact CD1-CD1 3.87Å; Y397-L400 HydrophobicContact CE1-CD1 4.2Å; L400-L438 HydrophobicContact CD1-CD1 3.94Å; L400-L438 HydrophobicContact CD1-CD2 3.58Å; L400-L438 HydrophobicContact CD1-CG 4.45Å; L400-W512 WeakPolarHBondContact O-CH2 3.1Å; L400-A516 HydrophobicContact CD1-CB 3.97Å; L400-A516 HydrophobicContact CD2-CB 3.9Å; L400-A516 HydrophobicContact CG-CB 4.02Å; L400-E517 HydrophobicContact CD2-CB 4.42Å; L400-E517 HydrophobicContact CD2-CG 3.55Å; L400-R520 HydrophobicContact CD2-CB 4.36Å; L400-R520 VanDerWaalsContact CD2-NH1 3.28Å |
| 401 | V | 91.1 | Very high | 91.1 | Very high | 44 Ų | 44 | 31 Ų | 31 | 27% | 0.267 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.3 | -2.5 | -169.8 | -168 | 0 | 0 | 0 | 0 | 112.7 | D399 L404 R405 T513 | D399-V401 PolarHBondContact O-N 2.87Å; V401-L404 HydrophobicContact CG1-CB 4.31Å; V401-L404 HydrophobicContact CG1-CD2 4.47Å; V401-L404 PolarHBondContact O-N 2.62Å; V401-R405 PolarHBondContact O-N 2.7Å; V401-T513 HydrophobicContact CG2-CG2 4.07Å |
| 402 | G | 90.2 | Very high | 91 | Very high | 11 Ų | 11 | 29.7 Ų | 29.7 | 11% | 0.113 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -56.7 | -60.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | D399 L404 R405 Q406 | D399-G402 PolarHBondContact O-N 3.35Å; G402-L404 VanDerWaalsContact C-N 3.29Å; G402-L404 PolarHBondContact O-N 3.15Å; G402-R405 WeakPolarHBondContact O-CB 3.45Å; G402-R405 PolarHBondContact O-N 2.94Å; G402-Q406 PolarHBondContact O-N 3.35Å; G402-Q406 VanDerWaalsContact O-N 3.09Å |
| 403 | P | 92.4 | Very high | 90.8 | Very high | 23 Ų | 23 | 29.7 Ų | 29.7 | 15% | 0.149 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58 | -34.6 | 175 | -29.6 | 38 | 0 | 0 | 0 | 114.4 | Q406 L407 F431 Q434 | P403-Q406 PolarHBondContact O-N 3.34Å; P403-L407 WeakPolarHBondContact O-CB 3.41Å; P403-L407 PolarHBondContact O-N 2.69Å; P403-F431 HydrophobicContact CB-CB 4.3Å; P403-Q434 VanDerWaalsContact CD-OE1 3.25Å; P403-Q434 HydrophobicContact CG-CB 4.37Å; P403-Q434 VanDerWaalsContact CG-OE1 3.24Å |
| 404 | L | 94.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.3 | -34.3 | 174 | -178.8 | 53.5 | 0 | 0 | 0 | 112.3 | V401 G402 L407 F408 F431 V473 R509 W512 | V401-L404 HydrophobicContact CG1-CB 4.31Å; V401-L404 HydrophobicContact CG1-CD2 4.47Å; V401-L404 PolarHBondContact O-N 2.62Å; G402-L404 VanDerWaalsContact C-N 3.29Å; G402-L404 PolarHBondContact O-N 3.15Å; L404-L407 HydrophobicContact CD1-CD2 4.23Å; L404-L407 PolarHBondContact O-N 3.42Å; L404-F408 WeakPolarHBondContact O-CB 3.33Å; L404-F408 PolarHBondContact O-N 3.41Å; L404-F431 HydrophobicContact CB-CD2 3.89Å; L404-F431 HydrophobicContact CB-CE2 3.74Å; L404-F431 HydrophobicContact CD1-CD2 4.33Å; L404-F431 HydrophobicContact CD1-CE2 3.89Å; L404-F431 HydrophobicContact CD1-CZ 3.97Å; L404-F431 HydrophobicContact CD2-CE2 4.24Å; L404-F431 HydrophobicContact CG-CE2 4.16Å; L404-V473 HydrophobicContact CD1-CG1 3.67Å; L404-R509 HydrophobicContact CD1-CG 4.14Å; L404-R509 HydrophobicContact CD2-CG 3.78Å; L404-R509 HydrophobicContact CG-CG 3.91Å; L404-W512 HydrophobicContact CD2-CD2 4.01Å; L404-W512 HydrophobicContact CD2-CE3 3.33Å; L404-W512 HydrophobicContact CD2-CZ3 3.78Å |
| 405 | R | 92.5 | Very high | 89 | Confident | 111 Ų | 111 | 38.5 Ų | 38.5 | 42% | 0.419 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.9 | -45.2 | 172.3 | -164.4 | -170.1 | -59.4 | -161.9 | 1.4 | 110.9 | V401 G402 L407 F408 E409 E722 | V401-R405 PolarHBondContact O-N 2.7Å; G402-R405 WeakPolarHBondContact O-CB 3.45Å; G402-R405 PolarHBondContact O-N 2.94Å; R405-L407 VanDerWaalsContact C-N 3.34Å; R405-L407 PolarHBondContact O-N 3.29Å; R405-F408 CarbonylContact O-C 3.59Å; R405-F408 WeakPolarHBondContact O-CA 3.33Å; R405-F408 WeakPolarHBondContact O-CB 3.13Å; R405-F408 PolarHBondContact O-N 2.96Å; R405-E409 WeakPolarHBondContact CD-OE1 3.32Å; R405-E409 WeakPolarHBondContact CG-OE1 3.4Å; R405-E409 WeakPolarHBondContact O-CG 3.23Å; R405-E409 PolarHBondContact O-N 3.01Å; R405-E722 IonicContact CZ-OE2 3.68Å; R405-E722 IonicContact NH1-OE2 3.45Å; R405-E722 PolarHBondContact NH1-OE2 3.3Å |
| 406 | Q | 92 | Very high | 88 | Confident | 66 Ų | 66 | 39 Ų | 39 | 31% | 0.308 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.9 | -36.5 | 177.1 | -63.3 | -174.8 | 4.1 | 0 | 0 | 112.5 | G402 P403 F408 E409 S410 K427 E430 | G402-Q406 PolarHBondContact O-N 3.35Å; G402-Q406 VanDerWaalsContact O-N 3.09Å; P403-Q406 PolarHBondContact O-N 3.34Å; Q406-F408 VanDerWaalsContact C-N 3.31Å; Q406-F408 PolarHBondContact O-N 3.34Å; Q406-E409 PolarHBondContact O-N 3.07Å; Q406-S410 WeakPolarHBondContact O-CB 3.47Å; Q406-S410 PolarHBondContact O-N 3.46Å; Q406-S410 PolarHBondContact O-OG 3.15Å; Q406-K427 HydrophobicContact CB-CD 4Å; Q406-K427 HydrophobicContact CB-CG 4.3Å; Q406-E430 PolarHBondContact OE1-OE2 2.92Å |
| 407 | L | 94.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.9 | -36.1 | 170 | -174 | 68.1 | 0 | 0 | 0 | 112.4 | P403 L404 R405 S410 A411 Y424 K427 M428 F431 V473 V474 | P403-L407 WeakPolarHBondContact O-CB 3.41Å; P403-L407 PolarHBondContact O-N 2.69Å; L404-L407 HydrophobicContact CD1-CD2 4.23Å; L404-L407 PolarHBondContact O-N 3.42Å; R405-L407 VanDerWaalsContact C-N 3.34Å; R405-L407 PolarHBondContact O-N 3.29Å; L407-S410 WeakPolarHBondContact CA-OG 3.43Å; L407-S410 PolarHBondContact O-OG 3.23Å; L407-S410 VanDerWaalsContact O-OG 3.1Å; L407-A411 PolarHBondContact O-N 3.14Å; L407-Y424 HydrophobicContact CD1-CD2 3.92Å; L407-Y424 HydrophobicContact CD1-CE1 4.5Å; L407-Y424 HydrophobicContact CD1-CE2 3.32Å; L407-Y424 HydrophobicContact CG-CE2 3.93Å; L407-K427 HydrophobicContact CD1-CB 4.25Å; L407-M428 HydrophobicContact CD1-CB 4.18Å; L407-F431 HydrophobicContact CD2-CB 4.24Å; L407-F431 HydrophobicContact CD2-CD1 3.57Å; L407-F431 HydrophobicContact CD2-CE1 4.09Å; L407-F431 HydrophobicContact CD2-CG 3.95Å; L407-V473 HydrophobicContact CD2-CG1 4.39Å; L407-V474 HydrophobicContact CD2-CG2 3.95Å |
| 408 | F | 92.3 | Very high | 86.8 | Confident | 35 Ų | 35 | 47.9 Ų | 47.9 | 15% | 0.154 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -72.6 | -42.4 | 176.8 | -172.7 | -88 | 0 | 0 | 0 | 112.3 | L404 R405 Q406 A411 S412 F505 L506 | L404-F408 WeakPolarHBondContact O-CB 3.33Å; L404-F408 PolarHBondContact O-N 3.41Å; R405-F408 CarbonylContact O-C 3.59Å; R405-F408 WeakPolarHBondContact O-CA 3.33Å; R405-F408 WeakPolarHBondContact O-CB 3.13Å; R405-F408 PolarHBondContact O-N 2.96Å; Q406-F408 VanDerWaalsContact C-N 3.31Å; Q406-F408 PolarHBondContact O-N 3.34Å; F408-A411 PolarHBondContact O-N 3.2Å; F408-S412 PolarHBondContact O-N 3.13Å; F408-F505 HydrophobicContact CB-CE1 4.25Å; F408-F505 HydrophobicContact CB-CZ 4.37Å; F408-F505 AromaticContact CD2-CD1 3.64Å; F408-F505 HydrophobicContact CD2-CD1 3.64Å; F408-F505 AromaticContact CD2-CE1 3.29Å; F408-F505 HydrophobicContact CD2-CE1 3.29Å; F408-F505 AromaticContact CD2-CZ 3.92Å; F408-F505 HydrophobicContact CD2-CZ 3.92Å; F408-F505 AromaticContact CE2-CD1 3.73Å; F408-F505 HydrophobicContact CE2-CD1 3.73Å; F408-F505 AromaticContact CE2-CE1 3.87Å; F408-F505 HydrophobicContact CE2-CE1 3.87Å; F408-F505 HydrophobicContact CG-CE1 4.05Å; F408-L506 HydrophobicContact CE2-CD2 3.51Å; F408-L506 HydrophobicContact CE2-CG 3.94Å; F408-L506 HydrophobicContact CZ-CD2 3.56Å; F408-L506 HydrophobicContact CZ-CG 4.1Å |
| 409 | E | 90.9 | Very high | 86.5 | Confident | 88 Ų | 88 | 48 Ų | 48 | 41% | 0.411 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67 | -37.5 | 179.2 | -73.7 | 177.3 | -140.3 | 0 | 0 | 112.9 | R405 Q406 S412 P413 | R405-E409 WeakPolarHBondContact CD-OE1 3.32Å; R405-E409 WeakPolarHBondContact CG-OE1 3.4Å; R405-E409 WeakPolarHBondContact O-CG 3.23Å; R405-E409 PolarHBondContact O-N 3.01Å; Q406-E409 PolarHBondContact O-N 3.07Å; E409-S412 CarbonylContact O-C 3.58Å; E409-S412 VanDerWaalsContact O-C 3.3Å; E409-P413 WeakPolarHBondContact O-CA 3.43Å |
| 410 | S | 91.8 | Very high | 86.3 | Confident | 6 Ų | 6 | 49.7 Ų | 49.7 | 4% | 0.042 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.7 | -32.3 | 174.7 | 52.6 | 0 | 0 | 0 | 0 | 112.9 | Q406 L407 P419 D423 | Q406-S410 WeakPolarHBondContact O-CB 3.47Å; Q406-S410 PolarHBondContact O-N 3.46Å; Q406-S410 PolarHBondContact O-OG 3.15Å; L407-S410 WeakPolarHBondContact CA-OG 3.43Å; L407-S410 PolarHBondContact O-OG 3.23Å; L407-S410 VanDerWaalsContact O-OG 3.1Å; S410-P419 WeakPolarHBondContact O-CB 3.23Å; S410-D423 WeakPolarHBondContact CB-OD2 3.09Å |
| 411 | A | 90.7 | Very high | 86.2 | Confident | 3 Ų | 3 | 54.5 Ų | 54.5 | 3% | 0.025 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -77.9 | -35.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L407 F408 Y424 V481 F505 | L407-A411 PolarHBondContact O-N 3.14Å; F408-A411 PolarHBondContact O-N 3.2Å; A411-Y424 HydrophobicContact CB-CD2 3.95Å; A411-Y424 HydrophobicContact CB-CE2 3.82Å; A411-V481 HydrophobicContact CB-CG2 3.98Å; A411-F505 HydrophobicContact CB-CE1 3.78Å; A411-F505 HydrophobicContact CB-CZ 4.39Å |
| 412 | S | 86.8 | Confident | 86.1 | Confident | 34 Ų | 34 | 58 Ų | 58 | 24% | 0.238 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -127.7 | 72.7 | -177.4 | -71.5 | 0 | 0 | 0 | 0 | 112.1 | F408 E409 S414 | F408-S412 PolarHBondContact O-N 3.13Å; E409-S412 CarbonylContact O-C 3.58Å; E409-S412 VanDerWaalsContact O-C 3.3Å; S412-S414 PolarHBondContact O-N 3.39Å |
| 413 | P | 83.4 | Confident | 86.1 | Confident | 37 Ų | 37 | 60.7 Ų | 60.7 | 24% | 0.24 | 35% | 0.346 | C | S | . | . | trans | -64.2 | 119.9 | -174.4 | -23.5 | 34.8 | 0 | 0 | 0 | 113.2 | E409 S415 G416 P419 | E409-P413 WeakPolarHBondContact O-CA 3.43Å; P413-S415 PolarHBondContact O-N 2.95Å; P413-G416 PolarHBondContact O-N 3.41Å; P413-G416 VanDerWaalsContact O-N 3.15Å; P413-P419 HydrophobicContact CG-CB 4.24Å | ||
| 414 | S | 75.9 | Confident | 86.2 | Confident | 91 Ų | 91 | 59.7 Ų | 59.7 | 64% | 0.636 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -17.2 | 176.8 | -75.5 | 0 | 0 | 0 | 0 | 114.3 | S412 G416 | S412-S414 PolarHBondContact O-N 3.39Å; S414-G416 VanDerWaalsContact C-N 3.26Å; S414-G416 PolarHBondContact O-N 3.35Å |
| 415 | S | 66.8 | Low | 86 | Confident | 94 Ų | 94 | 62.1 Ų | 62.1 | 66% | 0.657 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -3.4 | 179.9 | -51.2 | 0 | 0 | 0 | 0 | 114 | P413 N417 | P413-S415 PolarHBondContact O-N 2.95Å; S415-N417 PolarHBondContact O-N 3.13Å |
| 416 | G | 68.1 | Low | 86.1 | Confident | 74 Ų | 74 | 60.3 Ų | 60.3 | 76% | 0.763 | 35% | 0.353 | S | S | * | . | S | Bend | trans | 76.3 | -3.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | P413 S414 | P413-G416 PolarHBondContact O-N 3.41Å; P413-G416 VanDerWaalsContact O-N 3.15Å; S414-G416 VanDerWaalsContact C-N 3.26Å; S414-G416 PolarHBondContact O-N 3.35Å |
| 417 | N | 76.4 | Confident | 86.1 | Confident | 114 Ų | 114 | 58.9 Ų | 58.9 | 61% | 0.61 | 35% | 0.346 | S | S | * | . | P | Polyproline II helix | trans | -63.2 | 157.1 | 172.2 | -68.7 | -11.5 | 0 | 0 | 0 | 111.3 | S415 | S415-N417 PolarHBondContact O-N 3.13Š|
| 418 | L | 81.4 | Confident | 86.1 | Confident | 105 Ų | 105 | 61.1 Ų | 61.1 | 55% | 0.55 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 143.8 | 166.1 | -64.6 | 173.5 | 0 | 0 | 0 | 110.1 | A484 P486 | L418-A484 WeakPolarHBondContact CD2-O 3.03Å; L418-P486 HydrophobicContact CD1-CG 4.26Å; L418-P486 HydrophobicContact CD2-CG 3.99Å |
| 419 | P | 84.6 | Confident | 86.1 | Confident | 19 Ų | 19 | 66.6 Ų | 66.6 | 12% | 0.123 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 134.4 | 176.5 | 27.6 | -33.7 | 0 | 0 | 0 | 111 | S410 P413 V481 A484 | S410-P419 WeakPolarHBondContact O-CB 3.23Å; P413-P419 HydrophobicContact CG-CB 4.24Å; P419-V481 HydrophobicContact CB-CG1 4.38Å; P419-V481 HydrophobicContact CB-CG2 4.12Å; P419-V481 HydrophobicContact CG-CB 4.35Å; P419-V481 HydrophobicContact CG-CG1 4.12Å; P419-V481 HydrophobicContact CG-CG2 4.28Å; P419-A484 HydrophobicContact CG-CB 3.63Å |
| 420 | D | 86.2 | Confident | 86.1 | Confident | 82 Ų | 82 | 65.9 Ų | 65.9 | 44% | 0.439 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -81.5 | 124.9 | 171.7 | 175.7 | 25 | 0 | 0 | 0 | 110 | N422 D423 Y424 | D420-N422 PolarHBondContact O-N 3.13Å; D420-N422 PolarHBondContact OD1-N 3.16Å; D420-N422 PolarHBondContact OD1-ND2 3.44Å; D420-N422 WeakPolarHBondContact OD2-CB 3.28Å; D420-D423 HydrophobicContact CB-CB 4.14Å; D420-D423 PolarHBondContact OD2-N 2.92Å; D420-D423 VanDerWaalsContact OD2-N 3.14Å; D420-Y424 WeakPolarHBondContact O-CB 3.46Å; D420-Y424 PolarHBondContact O-N 2.94Å |
| 421 | Q | 87.3 | Confident | 86.3 | Confident | 108 Ų | 108 | 65.6 Ų | 65.6 | 51% | 0.505 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.9 | -28.1 | 176.6 | -61.1 | -171.9 | 8.8 | 0 | 0 | 112 | N425 V481 | Q421-N425 VanDerWaalsContact O-CB 3.27Å; Q421-N425 WeakPolarHBondContact O-CB 3.48Å; Q421-N425 PolarHBondContact O-N 3.4Å; Q421-N425 PolarHBondContact O-ND2 3.33Å; Q421-V481 HydrophobicContact CG-CG1 3.86Å |
| 422 | N | 89.7 | Confident | 86.4 | Confident | 116 Ų | 116 | 67.3 Ų | 67.3 | 62% | 0.62 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -73.2 | -52.1 | 179.2 | -60.2 | -65.1 | 0 | 0 | 0 | 111.2 | D420 Y424 N425 V426 | D420-N422 PolarHBondContact O-N 3.13Å; D420-N422 PolarHBondContact OD1-N 3.16Å; D420-N422 PolarHBondContact OD1-ND2 3.44Å; D420-N422 WeakPolarHBondContact OD2-CB 3.28Å; N422-Y424 VanDerWaalsContact C-N 3.34Å; N422-Y424 PolarHBondContact O-N 3.44Å; N422-N425 PolarHBondContact O-N 3.49Å; N422-N425 VanDerWaalsContact O-N 3.12Å; N422-V426 WeakPolarHBondContact O-CG2 3.37Å; N422-V426 PolarHBondContact O-N 3.28Å |
| 423 | D | 90.9 | Very high | 86.6 | Confident | 69 Ų | 69 | 70 Ų | 70 | 37% | 0.369 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -53.9 | -48.6 | 172.3 | -176.6 | 52.2 | 0 | 0 | 0 | 111.8 | S410 D420 N425 V426 K427 | S410-D423 WeakPolarHBondContact CB-OD2 3.09Å; D420-D423 HydrophobicContact CB-CB 4.14Å; D420-D423 PolarHBondContact OD2-N 2.92Å; D420-D423 VanDerWaalsContact OD2-N 3.14Å; D423-N425 VanDerWaalsContact C-N 3.32Å; D423-N425 PolarHBondContact O-N 3.49Å; D423-V426 WeakPolarHBondContact O-CA 3.27Å; D423-V426 WeakPolarHBondContact O-CB 3.28Å; D423-V426 PolarHBondContact O-N 3.1Å; D423-K427 PolarHBondContact O-N 3.47Å |
| 424 | Y | 92.7 | Very high | 87 | Confident | 2 Ų | 2 | 69 Ų | 69 | 1% | 0.008 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -57 | -42 | 175.4 | -175.9 | -96.7 | 0 | 0 | 0 | 113 | L407 A411 D420 N422 V426 K427 M428 V474 G477 R478 V481 | L407-Y424 HydrophobicContact CD1-CD2 3.92Å; L407-Y424 HydrophobicContact CD1-CE1 4.5Å; L407-Y424 HydrophobicContact CD1-CE2 3.32Å; L407-Y424 HydrophobicContact CG-CE2 3.93Å; A411-Y424 HydrophobicContact CB-CD2 3.95Å; A411-Y424 HydrophobicContact CB-CE2 3.82Å; D420-Y424 WeakPolarHBondContact O-CB 3.46Å; D420-Y424 PolarHBondContact O-N 2.94Å; N422-Y424 VanDerWaalsContact C-N 3.34Å; N422-Y424 PolarHBondContact O-N 3.44Å; Y424-V426 VanDerWaalsContact C-N 3.29Å; Y424-V426 PolarHBondContact O-N 3.29Å; Y424-K427 PolarHBondContact O-N 3.29Å; Y424-M428 VanDerWaalsContact O-CB 3.23Å; Y424-M428 WeakPolarHBondContact O-CB 3.4Å; Y424-M428 PolarHBondContact O-N 3.38Å; Y424-V474 PolarHBondContact OH-O 3.37Å; Y424-G477 WeakPolarHBondContact OH-CA 3.24Å; Y424-R478 HydrophobicContact CE1-CB 4.19Å; Y424-R478 PolarHBondContact OH-N 3.02Å; Y424-V481 HydrophobicContact CD1-CG2 4.27Å; Y424-V481 HydrophobicContact CD2-CG2 3.92Å; Y424-V481 HydrophobicContact CE2-CG2 4.34Å; Y424-V481 HydrophobicContact CG-CG2 3.9Å |
| 425 | N | 92.1 | Very high | 87.8 | Confident | 51 Ų | 51 | 64.6 Ų | 64.6 | 27% | 0.273 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -71.1 | -19.6 | 176.5 | -75.1 | -42.5 | 0 | 0 | 0 | 113.5 | Q421 N422 D423 K429 R478 | Q421-N425 VanDerWaalsContact O-CB 3.27Å; Q421-N425 WeakPolarHBondContact O-CB 3.48Å; Q421-N425 PolarHBondContact O-N 3.4Å; Q421-N425 PolarHBondContact O-ND2 3.33Å; N422-N425 PolarHBondContact O-N 3.49Å; N422-N425 VanDerWaalsContact O-N 3.12Å; D423-N425 VanDerWaalsContact C-N 3.32Å; D423-N425 PolarHBondContact O-N 3.49Å; N425-K429 WeakPolarHBondContact O-CG 3.36Å; N425-R478 PolarHBondContact OD1-NH2 2.78Å |
| 426 | V | 93 | Very high | 88.9 | Confident | 72 Ų | 72 | 63.5 Ų | 63.5 | 44% | 0.436 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -78 | -51.4 | 169.5 | 174.6 | 0 | 0 | 0 | 0 | 109.7 | N422 D423 Y424 M428 K429 E430 | N422-V426 WeakPolarHBondContact O-CG2 3.37Å; N422-V426 PolarHBondContact O-N 3.28Å; D423-V426 WeakPolarHBondContact O-CA 3.27Å; D423-V426 WeakPolarHBondContact O-CB 3.28Å; D423-V426 PolarHBondContact O-N 3.1Å; Y424-V426 VanDerWaalsContact C-N 3.29Å; Y424-V426 PolarHBondContact O-N 3.29Å; V426-M428 VanDerWaalsContact C-N 3.26Å; V426-M428 PolarHBondContact O-N 3.11Å; V426-K429 WeakPolarHBondContact O-CB 3.35Å; V426-K429 PolarHBondContact O-N 2.89Å; V426-E430 PolarHBondContact O-N 2.88Å; V426-E430 VanDerWaalsContact O-N 3.12Å |
| 427 | K | 93.1 | Very high | 90 | Very high | 37 Ų | 37 | 64.4 Ų | 64.4 | 16% | 0.161 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.5 | -31.4 | 178.8 | -60.5 | -47.8 | -178.4 | -179 | 0 | 113.3 | Q406 L407 D423 Y424 K429 E430 F431 | Q406-K427 HydrophobicContact CB-CD 4Å; Q406-K427 HydrophobicContact CB-CG 4.3Å; L407-K427 HydrophobicContact CD1-CB 4.25Å; D423-K427 PolarHBondContact O-N 3.47Å; Y424-K427 PolarHBondContact O-N 3.29Å; K427-K429 VanDerWaalsContact C-N 3.34Å; K427-K429 PolarHBondContact O-N 2.89Å; K427-E430 WeakPolarHBondContact CD-OE2 3.31Å; K427-E430 IonicContact NZ-OE1 2.63Å; K427-E430 PolarHBondContact NZ-OE1 3.5Å; K427-E430 IonicContact NZ-OE2 2.7Å; K427-E430 PolarHBondContact NZ-OE2 2.86Å; K427-E430 PolarHBondContact O-N 3.35Å; K427-F431 WeakPolarHBondContact O-CB 3.12Å; K427-F431 PolarHBondContact O-N 3.39Å |
| 428 | M | 94.1 | Very high | 90.8 | Very high | 47 Ų | 47 | 59 Ų | 59 | 23% | 0.232 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -56 | -44.6 | 167.8 | 169.4 | -178.7 | 165.3 | 0 | 0 | 112.3 | L407 Y424 V426 L432 V474 R478 | L407-M428 HydrophobicContact CD1-CB 4.18Å; Y424-M428 VanDerWaalsContact O-CB 3.23Å; Y424-M428 WeakPolarHBondContact O-CB 3.4Å; Y424-M428 PolarHBondContact O-N 3.38Å; V426-M428 VanDerWaalsContact C-N 3.26Å; V426-M428 PolarHBondContact O-N 3.11Å; M428-L432 HydrophobicContact CE-CD1 3.82Å; M428-L432 HydrophobicContact CG-CD1 3.9Å; M428-L432 WeakPolarHBondContact O-CB 3.37Å; M428-L432 VanDerWaalsContact O-CG 3.27Å; M428-L432 WeakPolarHBondContact O-CG 3.1Å; M428-L432 PolarHBondContact O-N 3Å; M428-V474 HydrophobicContact CB-CG1 4.48Å; M428-V474 HydrophobicContact CE-CG1 3.87Å; M428-V474 HydrophobicContact CG-CG1 3.62Å; M428-V474 HydrophobicContact CG-CG2 4.07Å; M428-V474 HydrophobicContact SD-CG1 3.52Å; M428-V474 VanDerWaalsContact SD-CG1 3.52Å; M428-R478 PolarHBondContact SD-NH2 3.23Å |
| 429 | K | 92.5 | Very high | 91.2 | Very high | 150 Ų | 150 | 54.6 Ų | 54.6 | 65% | 0.652 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -72 | -41.3 | -178.4 | -68.7 | 171.5 | -176.5 | 177.9 | 0 | 111.6 | N425 V426 K427 L432 N433 | N425-K429 WeakPolarHBondContact O-CG 3.36Å; V426-K429 WeakPolarHBondContact O-CB 3.35Å; V426-K429 PolarHBondContact O-N 2.89Å; K427-K429 VanDerWaalsContact C-N 3.34Å; K427-K429 PolarHBondContact O-N 2.89Å; K429-L432 PolarHBondContact O-N 3.31Å; K429-N433 VanDerWaalsContact O-CB 3.27Å; K429-N433 WeakPolarHBondContact O-CB 3.49Å; K429-N433 PolarHBondContact O-N 3.49Å |
| 430 | E | 91.6 | Very high | 91.4 | Very high | 72 Ų | 72 | 58.6 Ų | 58.6 | 34% | 0.336 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.4 | -47.6 | 175.3 | -66.3 | 173.6 | -167.2 | 0 | 0 | 111.2 | Q406 V426 K427 N433 Q434 | Q406-E430 PolarHBondContact OE1-OE2 2.92Å; V426-E430 PolarHBondContact O-N 2.88Å; V426-E430 VanDerWaalsContact O-N 3.12Å; K427-E430 WeakPolarHBondContact CD-OE2 3.31Å; K427-E430 IonicContact NZ-OE1 2.63Å; K427-E430 PolarHBondContact NZ-OE1 3.5Å; K427-E430 IonicContact NZ-OE2 2.7Å; K427-E430 PolarHBondContact NZ-OE2 2.86Å; K427-E430 PolarHBondContact O-N 3.35Å; E430-N433 PolarHBondContact O-N 2.7Å; E430-Q434 PolarHBondContact O-N 2.69Å |
| 431 | F | 95.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.4 | -45.7 | 177.3 | 172.8 | -112.5 | 0 | 0 | 0 | 113.3 | P403 L404 L407 K427 N433 Q434 C435 V473 V474 W512 | P403-F431 HydrophobicContact CB-CB 4.3Å; L404-F431 HydrophobicContact CB-CD2 3.89Å; L404-F431 HydrophobicContact CB-CE2 3.74Å; L404-F431 HydrophobicContact CD1-CD2 4.33Å; L404-F431 HydrophobicContact CD1-CE2 3.89Å; L404-F431 HydrophobicContact CD1-CZ 3.97Å; L404-F431 HydrophobicContact CD2-CE2 4.24Å; L404-F431 HydrophobicContact CG-CE2 4.16Å; L407-F431 HydrophobicContact CD2-CB 4.24Å; L407-F431 HydrophobicContact CD2-CD1 3.57Å; L407-F431 HydrophobicContact CD2-CE1 4.09Å; L407-F431 HydrophobicContact CD2-CG 3.95Å; K427-F431 WeakPolarHBondContact O-CB 3.12Å; K427-F431 PolarHBondContact O-N 3.39Å; F431-N433 VanDerWaalsContact C-N 3.32Å; F431-N433 PolarHBondContact O-N 2.91Å; F431-Q434 WeakPolarHBondContact O-CB 3.44Å; F431-Q434 PolarHBondContact O-N 2.82Å; F431-C435 PolarHBondContact O-N 2.86Å; F431-C435 PolarHBondContact O-SG 2.6Å; F431-V473 HydrophobicContact CE1-CB 4.28Å; F431-V473 HydrophobicContact CE1-CG1 4.1Å; F431-V473 HydrophobicContact CZ-CG1 4.24Å; F431-V474 HydrophobicContact CD1-CG2 3.85Å; F431-V474 HydrophobicContact CE1-CG2 4.14Å; F431-W512 HydrophobicContact CE2-CD2 4.1Å; F431-W512 AromaticContact CE2-CE2 3.64Å; F431-W512 HydrophobicContact CE2-CE3 4.38Å; F431-W512 AromaticContact CE2-CH2 3.88Å; F431-W512 HydrophobicContact CE2-CH2 3.88Å; F431-W512 AromaticContact CE2-CZ2 3.54Å; F431-W512 HydrophobicContact CE2-CZ2 3.54Å; F431-W512 HydrophobicContact CE2-CZ3 4.29Å; F431-W512 AromaticContact CZ-CD2 4Å; F431-W512 HydrophobicContact CZ-CD2 4Å; F431-W512 AromaticContact CZ-CE2 3.61Å; F431-W512 HydrophobicContact CZ-CG 4.26Å; F431-W512 AromaticContact CZ-CZ2 3.99Å; F431-W512 HydrophobicContact CZ-CZ2 3.99Å; F431-W512 AromaticContact CZ-NE1 3.62Å |
| 432 | L | 92.6 | Very high | 91.6 | Very high | 40 Ų | 40 | 49.6 Ų | 49.6 | 21% | 0.209 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.8 | -31.9 | 177.9 | -69.6 | 173.2 | 0 | 0 | 0 | 112.2 | M428 K429 C435 N436 V474 | M428-L432 HydrophobicContact CE-CD1 3.82Å; M428-L432 HydrophobicContact CG-CD1 3.9Å; M428-L432 WeakPolarHBondContact O-CB 3.37Å; M428-L432 VanDerWaalsContact O-CG 3.27Å; M428-L432 WeakPolarHBondContact O-CG 3.1Å; M428-L432 PolarHBondContact O-N 3Å; K429-L432 PolarHBondContact O-N 3.31Å; L432-C435 PolarHBondContact O-N 2.99Å; L432-N436 PolarHBondContact O-N 2.93Å; L432-N436 PolarHBondContact O-ND2 3.1Å; L432-V474 HydrophobicContact CD1-CG2 4.31Å; L432-V474 HydrophobicContact CD2-CG2 4.16Å; L432-V474 HydrophobicContact CG-CG2 4.14Å |
| 433 | N | 90.8 | Very high | 91.4 | Very high | 89 Ų | 89 | 47.4 Ų | 47.4 | 48% | 0.476 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65.3 | -42.5 | 170.7 | -176.8 | 75.7 | 0 | 0 | 0 | 111.4 | K429 E430 F431 C435 N436 Q437 | K429-N433 VanDerWaalsContact O-CB 3.27Å; K429-N433 WeakPolarHBondContact O-CB 3.49Å; K429-N433 PolarHBondContact O-N 3.49Å; E430-N433 PolarHBondContact O-N 2.7Å; F431-N433 VanDerWaalsContact C-N 3.32Å; F431-N433 PolarHBondContact O-N 2.91Å; N433-C435 PolarHBondContact O-N 2.96Å; N433-N436 PolarHBondContact O-N 3.22Å; N433-Q437 PolarHBondContact ND2-NE2 3Å; N433-Q437 WeakPolarHBondContact O-CG 3.21Å; N433-Q437 PolarHBondContact O-N 3.43Å |
| 434 | Q | 92.4 | Very high | 91.1 | Very high | 16 Ų | 16 | 45 Ų | 45 | 8% | 0.075 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.4 | -42.1 | 173.9 | -174 | -178 | 41.8 | 0 | 0 | 112.1 | D399 P403 E430 F431 N436 Q437 L438 | D399-Q434 PolarHBondContact O-NE2 2.72Å; P403-Q434 VanDerWaalsContact CD-OE1 3.25Å; P403-Q434 HydrophobicContact CG-CB 4.37Å; P403-Q434 VanDerWaalsContact CG-OE1 3.24Å; E430-Q434 PolarHBondContact O-N 2.69Å; F431-Q434 WeakPolarHBondContact O-CB 3.44Å; F431-Q434 PolarHBondContact O-N 2.82Å; Q434-N436 VanDerWaalsContact C-N 3.3Å; Q434-N436 PolarHBondContact O-N 3.39Å; Q434-Q437 PolarHBondContact O-N 3.41Å; Q434-Q437 VanDerWaalsContact O-N 3.12Å; Q434-L438 HydrophobicContact CG-CD1 3.92Å; Q434-L438 HydrophobicContact CG-CG 4.25Å; Q434-L438 WeakPolarHBondContact O-CG 3.39Å; Q434-L438 PolarHBondContact O-N 3.49Å |
| 435 | C | 92.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -54.8 | -47.3 | 176.3 | -66.2 | 0 | 0 | 0 | 0 | 111 | F431 L432 N433 Q437 L438 V439 N467 | F431-C435 PolarHBondContact O-N 2.86Å; F431-C435 PolarHBondContact O-SG 2.6Å; L432-C435 PolarHBondContact O-N 2.99Å; N433-C435 PolarHBondContact O-N 2.96Å; C435-Q437 PolarHBondContact O-N 3.33Å; C435-L438 PolarHBondContact O-N 3.37Å; C435-V439 WeakPolarHBondContact O-CB 3.41Å; C435-V439 VanDerWaalsContact O-CG2 3.28Å; C435-V439 WeakPolarHBondContact O-CG2 3.44Å; C435-V439 PolarHBondContact O-N 2.69Å; C435-N467 WeakPolarHBondContact CB-OD1 3.44Å |
| 436 | N | 90.5 | Very high | 90.2 | Very high | 71 Ų | 71 | 42.4 Ų | 42.4 | 38% | 0.38 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.9 | -38.9 | 176.4 | -73.3 | -70.9 | 0 | 0 | 0 | 113 | L432 N433 Q434 V439 N440 N467 | L432-N436 PolarHBondContact O-N 2.93Å; L432-N436 PolarHBondContact O-ND2 3.1Å; N433-N436 PolarHBondContact O-N 3.22Å; Q434-N436 VanDerWaalsContact C-N 3.3Å; Q434-N436 PolarHBondContact O-N 3.39Å; N436-V439 PolarHBondContact O-N 3.45Å; N436-N440 WeakPolarHBondContact O-CB 3.33Å; N436-N440 PolarHBondContact O-N 2.91Å; N436-N440 PolarHBondContact O-ND2 3.21Å; N436-N440 PolarHBondContact O-OD1 3.18Å; N436-N467 PolarHBondContact N-OD1 3.01Å; N436-N467 PolarHBondContact OD1-ND2 3.1Å |
| 437 | Q | 90.5 | Very high | 89.5 | Confident | 93 Ų | 93 | 40.8 Ų | 40.8 | 44% | 0.435 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -65.5 | -40.1 | 176.3 | -71.5 | 176.6 | -14.4 | 0 | 0 | 112.5 | V396 N433 Q434 C435 T441 | V396-Q437 HydrophobicContact CG1-CB 4.23Å; N433-Q437 PolarHBondContact ND2-NE2 3Å; N433-Q437 WeakPolarHBondContact O-CG 3.21Å; N433-Q437 PolarHBondContact O-N 3.43Å; Q434-Q437 PolarHBondContact O-N 3.41Å; Q434-Q437 VanDerWaalsContact O-N 3.12Å; C435-Q437 PolarHBondContact O-N 3.33Å; Q437-T441 WeakPolarHBondContact O-CB 3.39Å; Q437-T441 PolarHBondContact O-N 3.45Å; Q437-T441 VanDerWaalsContact O-N 3.14Å; Q437-T441 PolarHBondContact O-OG1 2.85Å |
| 438 | L | 92.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.2 | -50.2 | 173.1 | -69.9 | 164.2 | 0 | 0 | 0 | 110.7 | V396 Y397 L400 Q434 C435 N440 T441 G442 L466 W512 M519 | V396-L438 HydrophobicContact CG1-CD2 3.94Å; V396-L438 HydrophobicContact CG1-CG 4.32Å; Y397-L438 HydrophobicContact CD1-CD2 3.64Å; Y397-L438 HydrophobicContact CD2-CD2 4.36Å; Y397-L438 HydrophobicContact CE1-CD2 3.45Å; Y397-L438 VanDerWaalsContact CE1-CD2 3.45Å; Y397-L438 HydrophobicContact CE2-CD2 4.19Å; Y397-L438 HydrophobicContact CG-CD2 4.11Å; Y397-L438 PolarHBondContact OH-O 2.88Å; L400-L438 HydrophobicContact CD1-CD1 3.94Å; L400-L438 HydrophobicContact CD1-CD2 3.58Å; L400-L438 HydrophobicContact CD1-CG 4.45Å; Q434-L438 HydrophobicContact CG-CD1 3.92Å; Q434-L438 HydrophobicContact CG-CG 4.25Å; Q434-L438 WeakPolarHBondContact O-CG 3.39Å; Q434-L438 PolarHBondContact O-N 3.49Å; C435-L438 PolarHBondContact O-N 3.37Å; L438-N440 PolarHBondContact O-N 3.38Å; L438-T441 PolarHBondContact O-N 3.32Å; L438-G442 PolarHBondContact O-N 3.4Å; L438-L466 HydrophobicContact CB-CD2 4.09Å; L438-L466 HydrophobicContact CD1-CD2 4.33Å; L438-W512 HydrophobicContact CD1-CH2 3.98Å; L438-W512 HydrophobicContact CD1-CZ2 4.05Å; L438-M519 HydrophobicContact CB-SD 4.45Å; L438-M519 VanDerWaalsContact O-CE 3.31Å; L438-M519 WeakPolarHBondContact O-CE 3.28Å |
| 439 | V | 91.4 | Very high | 87.4 | Confident | 13 Ų | 13 | 39 Ų | 39 | 8% | 0.079 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57 | -50.9 | 178.2 | 166.4 | 0 | 0 | 0 | 0 | 111.8 | C435 N436 T441 G442 E443 T463 L466 N467 | C435-V439 WeakPolarHBondContact O-CB 3.41Å; C435-V439 VanDerWaalsContact O-CG2 3.28Å; C435-V439 WeakPolarHBondContact O-CG2 3.44Å; C435-V439 PolarHBondContact O-N 2.69Å; N436-V439 PolarHBondContact O-N 3.45Å; V439-T441 VanDerWaalsContact C-N 3.27Å; V439-T441 PolarHBondContact O-N 2.93Å; V439-G442 PolarHBondContact O-N 3.15Å; V439-E443 PolarHBondContact O-N 2.85Å; V439-T463 VanDerWaalsContact CG2-O 3.26Å; V439-T463 WeakPolarHBondContact CG2-O 3.35Å; V439-L466 HydrophobicContact CG2-CB 4.16Å; V439-L466 HydrophobicContact CG2-CD2 4.32Å; V439-N467 HydrophobicContact CG2-CB 4.17Å |
| 440 | N | 88.6 | Confident | 85.7 | Confident | 102 Ų | 102 | 32.4 Ų | 32.4 | 55% | 0.545 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -61.4 | -35.9 | 178.8 | -67.8 | -7.7 | 0 | 0 | 0 | 112.3 | N436 L438 L444 | N436-N440 WeakPolarHBondContact O-CB 3.33Å; N436-N440 PolarHBondContact O-N 2.91Å; N436-N440 PolarHBondContact O-ND2 3.21Å; N436-N440 PolarHBondContact O-OD1 3.18Å; L438-N440 PolarHBondContact O-N 3.38Å; N440-L444 VanDerWaalsContact O-CB 3.27Å; N440-L444 WeakPolarHBondContact O-CB 3.39Å; N440-L444 PolarHBondContact O-N 3.25Å |
| 441 | T | 88.2 | Confident | 83.8 | Confident | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.012 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -75.9 | -32.8 | 178.6 | -51.6 | 0 | 0 | 0 | 0 | 112.2 | Q392 I393 Y397 Q437 L438 V439 A445 | Q392-T441 HydrophobicContact CB-CG2 4.48Å; Q392-T441 HydrophobicContact CG-CG2 3.83Å; Q392-T441 PolarHBondContact NE2-OG1 3.34Å; I393-T441 HydrophobicContact CG1-CG2 3.87Å; Y397-T441 HydrophobicContact CD2-CG2 4.4Å; Y397-T441 HydrophobicContact CE2-CG2 3.87Å; Q437-T441 WeakPolarHBondContact O-CB 3.39Å; Q437-T441 PolarHBondContact O-N 3.45Å; Q437-T441 VanDerWaalsContact O-N 3.14Å; Q437-T441 PolarHBondContact O-OG1 2.85Å; L438-T441 PolarHBondContact O-N 3.32Å; V439-T441 VanDerWaalsContact C-N 3.27Å; V439-T441 PolarHBondContact O-N 2.93Å; T441-A445 PolarHBondContact O-N 3.06Å |
| 442 | G | 88.9 | Confident | 81.8 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -69.5 | -44.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113 | L438 V439 L444 A445 A446 L459 | L438-G442 PolarHBondContact O-N 3.4Å; V439-G442 PolarHBondContact O-N 3.15Å; G442-L444 VanDerWaalsContact C-N 3.27Å; G442-L444 PolarHBondContact O-N 3.08Å; G442-A445 PolarHBondContact O-N 3.22Å; G442-A446 WeakPolarHBondContact O-CB 3.19Å; G442-A446 PolarHBondContact O-N 2.89Å; G442-L459 VanDerWaalsContact O-CD2 3.24Å; G442-L459 WeakPolarHBondContact O-CD2 3.43Å |
| 443 | E | 85.4 | Confident | 80 | Confident | 69 Ų | 69 | 31.4 Ų | 31.4 | 32% | 0.322 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -58.9 | -42.1 | 172.8 | -78.1 | -58.8 | 152 | 0 | 0 | 111.2 | V439 A445 A446 A447 T463 | V439-E443 PolarHBondContact O-N 2.85Å; E443-A445 PolarHBondContact O-N 3.23Å; E443-A446 PolarHBondContact O-N 3.45Å; E443-A447 WeakPolarHBondContact O-CB 3.37Å; E443-A447 PolarHBondContact O-N 2.82Å; E443-T463 HydrophobicContact CG-CG2 3.96Å; E443-T463 VanDerWaalsContact OE1-CB 3.29Å; E443-T463 WeakPolarHBondContact OE1-CB 3.2Å; E443-T463 PolarHBondContact OE1-OG1 3.17Å |
| 444 | L | 85.1 | Confident | 78.5 | Confident | 18 Ų | 18 | 31 Ų | 31 | 9% | 0.094 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.4 | -48.1 | 173.9 | 178.8 | 63.4 | 0 | 0 | 0 | 111.8 | I309 L389 N440 G442 A447 T448 | I309-L444 HydrophobicContact CB-CD1 4.16Å; I309-L444 HydrophobicContact CD1-CD1 3.58Å; I309-L444 HydrophobicContact CG1-CD1 3.43Å; I309-L444 VanDerWaalsContact CG1-CD1 3.43Å; I309-L444 HydrophobicContact CG2-CD1 3.73Å; I309-L444 HydrophobicContact CG2-CD2 4.2Å; L389-L444 HydrophobicContact CD1-CD2 4.02Å; L389-L444 HydrophobicContact CD1-CG 3.79Å; N440-L444 VanDerWaalsContact O-CB 3.27Å; N440-L444 WeakPolarHBondContact O-CB 3.39Å; N440-L444 PolarHBondContact O-N 3.25Å; G442-L444 VanDerWaalsContact C-N 3.27Å; G442-L444 PolarHBondContact O-N 3.08Å; L444-A447 PolarHBondContact O-N 3.41Å; L444-T448 HydrophobicContact CD1-CG2 3.74Å; L444-T448 HydrophobicContact CG-CG2 4.28Å; L444-T448 VanDerWaalsContact O-CB 3.3Å; L444-T448 WeakPolarHBondContact O-CB 3.46Å; L444-T448 VanDerWaalsContact O-CG2 3.23Å; L444-T448 WeakPolarHBondContact O-CG2 3.25Å; L444-T448 PolarHBondContact O-N 2.98Å; L444-T448 PolarHBondContact O-OG1 3.28Å |
| 445 | A | 85.6 | Confident | 77.1 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.7 | -40.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L389 I393 T441 G442 E443 T448 K449 L459 V523 | L389-A445 HydrophobicContact CD1-CB 4.14Å; I393-A445 HydrophobicContact CD1-CB 4.37Å; T441-A445 PolarHBondContact O-N 3.06Å; G442-A445 PolarHBondContact O-N 3.22Å; E443-A445 PolarHBondContact O-N 3.23Å; A445-T448 WeakPolarHBondContact CA-OG1 3.44Å; A445-T448 PolarHBondContact O-OG1 2.83Å; A445-K449 PolarHBondContact O-N 2.89Å; A445-L459 HydrophobicContact CB-CD2 3.9Å; A445-V523 HydrophobicContact CB-CG2 4.23Å |
| 446 | A | 80.5 | Confident | 76 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.1 | -40 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | T272 G442 E443 S456 L459 R460 | T272-A446 VanDerWaalsContact CG2-O 3.23Å; T272-A446 WeakPolarHBondContact CG2-O 3.26Å; G442-A446 WeakPolarHBondContact O-CB 3.19Å; G442-A446 PolarHBondContact O-N 2.89Å; E443-A446 PolarHBondContact O-N 3.45Å; A446-S456 WeakPolarHBondContact CB-O 3.32Å; A446-S456 PolarHBondContact O-OG 3.38Å; A446-L459 HydrophobicContact CB-CB 4.27Å; A446-L459 HydrophobicContact CB-CD2 4.12Å; A446-L459 HydrophobicContact CB-CG 4.24Å; A446-R460 HydrophobicContact CB-CG 4.14Å; A446-R460 PolarHBondContact O-NH2 3.17Å |
| 447 | A | 77.8 | Confident | 74.6 | Confident | 38 Ų | 38 | 29.4 Ų | 29.4 | 31% | 0.314 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -77.6 | -29.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | T272 L273 E443 L444 | T272-A447 CarbonylContact C-O 3.4Å; T272-A447 VanDerWaalsContact CA-O 3.23Å; T272-A447 WeakPolarHBondContact CA-O 3.41Å; T272-A447 WeakPolarHBondContact CB-O 3.44Å; L273-A447 PolarHBondContact N-O 3.43Å; E443-A447 WeakPolarHBondContact O-CB 3.37Å; E443-A447 PolarHBondContact O-N 2.82Å; L444-A447 PolarHBondContact O-N 3.41Å |
| 448 | T | 74.5 | Confident | 73.7 | Confident | 4 Ų | 4 | 26 Ų | 26 | 3% | 0.025 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -86.6 | -73.2 | -173.3 | 46.4 | 0 | 0 | 0 | 0 | 113.3 | L273 E274 I309 L389 L444 A445 | L273-T448 HydrophobicContact CD1-CG2 4.1Å; L273-T448 PolarHBondContact N-O 2.91Å; E274-T448 PolarHBondContact N-O 2.73Å; I309-T448 HydrophobicContact CD1-CG2 3.63Å; L389-T448 WeakPolarHBondContact CD2-OG1 3.29Å; L444-T448 HydrophobicContact CD1-CG2 3.74Å; L444-T448 HydrophobicContact CG-CG2 4.28Å; L444-T448 VanDerWaalsContact O-CB 3.3Å; L444-T448 WeakPolarHBondContact O-CB 3.46Å; L444-T448 VanDerWaalsContact O-CG2 3.23Å; L444-T448 WeakPolarHBondContact O-CG2 3.25Å; L444-T448 PolarHBondContact O-N 2.98Å; L444-T448 PolarHBondContact O-OG1 3.28Å; A445-T448 WeakPolarHBondContact CA-OG1 3.44Å; A445-T448 PolarHBondContact O-OG1 2.83Å |
| 449 | K | 67.5 | Low | 73.3 | Confident | 43 Ų | 43 | 26 Ų | 26 | 19% | 0.187 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.2 | -8.7 | -156.8 | -178.2 | 160.4 | 171.7 | 163.1 | 0 | 114.8 | W382 E386 L389 A445 S451 A526 | W382-K449 HydrophobicContact CH2-CB 4.28Å; W382-K449 HydrophobicContact CZ2-CD 4.48Å; W382-K449 HydrophobicContact CZ2-CG 4.41Å; E386-K449 HydrophobicContact CG-CD 4.35Å; E386-K449 WeakPolarHBondContact OE1-CD 3.4Å; E386-K449 WeakPolarHBondContact OE1-CE 3.37Å; E386-K449 IonicContact OE1-NZ 3.75Å; E386-K449 PolarHBondContact OE1-NZ 3.19Å; L389-K449 HydrophobicContact CD2-CB 3.9Å; L389-K449 HydrophobicContact CD2-CD 4.43Å; A445-K449 PolarHBondContact O-N 2.89Å; K449-S451 VanDerWaalsContact C-N 3.34Å; K449-S451 PolarHBondContact O-N 2.69Å; K449-A526 WeakPolarHBondContact CD-O 3.44Å; K449-A526 WeakPolarHBondContact CE-O 3.44Å; K449-A526 WeakPolarHBondContact CG-O 3.34Å |
| 450 | L | 57.8 | Low | 72.8 | Confident | 11 Ų | 11 | 28.3 Ų | 28.3 | 6% | 0.058 | 15% | 0.148 | C | C | . | . | trans | -78.9 | 81.4 | 173.2 | -71.1 | 174.9 | 0 | 0 | 0 | 111.1 | T272 D452 R455 L459 A526 | T272-L450 VanDerWaalsContact CG2-O 3.28Å; T272-L450 WeakPolarHBondContact CG2-O 3.44Å; L450-D452 PolarHBondContact O-N 2.88Å; L450-R455 HydrophobicContact CD1-CB 4.13Å; L450-R455 HydrophobicContact CD2-CB 3.92Å; L450-R455 HydrophobicContact CG-CB 4.44Å; L450-L459 HydrophobicContact CD1-CB 4.29Å; L450-L459 HydrophobicContact CD1-CD2 3.67Å; L450-A526 HydrophobicContact CD1-CB 4.49Å; L450-A526 HydrophobicContact CD2-CB 3.73Å; L450-A526 HydrophobicContact CG-CB 3.95Å | ||
| 451 | S | 51.9 | Low | 72.4 | Confident | 38 Ų | 38 | 25.3 Ų | 25.3 | 27% | 0.266 | 14% | 0.135 | S | C | . | . | trans | -60.9 | -26.8 | 170.7 | 29.1 | 0 | 0 | 0 | 0 | 113.4 | E274 K449 V453 | E274-S451 WeakPolarHBondContact OE2-CB 3.23Å; E274-S451 PolarHBondContact OE2-OG 3Å; K449-S451 VanDerWaalsContact C-N 3.34Å; K449-S451 PolarHBondContact O-N 2.69Å; S451-V453 PolarHBondContact O-N 3.06Å | ||
| 452 | D | 52.1 | Low | 72.2 | Confident | 22 Ų | 22 | 25.8 Ų | 25.8 | 12% | 0.118 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -68.5 | 106.4 | 165.1 | 176.2 | 13 | 0 | 0 | 0 | 110.6 | L450 W454 R455 S456 Y756 | L450-D452 PolarHBondContact O-N 2.88Å; D452-W454 VanDerWaalsContact C-N 3.26Å; D452-W454 PolarHBondContact O-N 3.41Å; D452-W454 WeakPolarHBondContact OD1-CB 3.34Å; D452-W454 PolarHBondContact OD1-N 2.69Å; D452-R455 HydrophobicContact CB-CB 4.15Å; D452-R455 PolarHBondContact O-N 2.9Å; D452-R455 WeakPolarHBondContact OD2-CB 3.27Å; D452-R455 VanDerWaalsContact OD2-CG 3.26Å; D452-R455 WeakPolarHBondContact OD2-CG 3.49Å; D452-R455 IonicContact OD2-CZ 3.86Å; D452-R455 PolarHBondContact OD2-N 3.44Å; D452-R455 IonicContact OD2-NH1 2.7Å; D452-R455 PolarHBondContact OD2-NH1 3.25Å; D452-S456 PolarHBondContact O-N 3.28Å; D452-Y756 HydrophobicContact CB-CD2 3.9Å |
| 453 | V | 54.3 | Low | 72.2 | Confident | 31 Ų | 31 | 25.8 Ų | 25.8 | 19% | 0.188 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -53.2 | -43.5 | 176.1 | 177.4 | 0 | 0 | 0 | 0 | 110.9 | F132 S451 R455 S456 D457 | F132-V453 HydrophobicContact CD1-CG2 4.21Å; F132-V453 HydrophobicContact CE1-CG2 3.74Å; F132-V453 HydrophobicContact CZ-CG2 4.31Å; S451-V453 PolarHBondContact O-N 3.06Å; V453-R455 PolarHBondContact O-N 3.04Å; V453-S456 WeakPolarHBondContact O-CB 3.31Å; V453-S456 PolarHBondContact O-N 2.81Å; V453-S456 VanDerWaalsContact O-N 3.15Å; V453-D457 WeakPolarHBondContact CG1-OD2 3.5Å; V453-D457 PolarHBondContact O-N 3.05Å; V453-D457 VanDerWaalsContact O-OD2 3.1Å |
| 454 | W | 60.8 | Low | 72.1 | Confident | 80 Ų | 80 | 26.2 Ų | 26.2 | 30% | 0.303 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -64.2 | -39 | -178.8 | 178.2 | 87.5 | 0 | 0 | 0 | 112.2 | D452 A458 | D452-W454 VanDerWaalsContact C-N 3.26Å; D452-W454 PolarHBondContact O-N 3.41Å; D452-W454 WeakPolarHBondContact OD1-CB 3.34Å; D452-W454 PolarHBondContact OD1-N 2.69Å; W454-A458 WeakPolarHBondContact O-CB 3.31Å; W454-A458 PolarHBondContact O-N 3.13Å |
| 455 | R | 63.3 | Low | 72 | Confident | 9 Ų | 9 | 27 Ų | 27 | 3% | 0.034 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -70.2 | -39.7 | 171.8 | -88.3 | -170.5 | -169.1 | 79.7 | -15.7 | 113 | L450 D452 V453 D457 L459 L522 E525 H754 | L450-R455 HydrophobicContact CD1-CB 4.13Å; L450-R455 HydrophobicContact CD2-CB 3.92Å; L450-R455 HydrophobicContact CG-CB 4.44Å; D452-R455 HydrophobicContact CB-CB 4.15Å; D452-R455 PolarHBondContact O-N 2.9Å; D452-R455 WeakPolarHBondContact OD2-CB 3.27Å; D452-R455 VanDerWaalsContact OD2-CG 3.26Å; D452-R455 WeakPolarHBondContact OD2-CG 3.49Å; D452-R455 IonicContact OD2-CZ 3.86Å; D452-R455 PolarHBondContact OD2-N 3.44Å; D452-R455 IonicContact OD2-NH1 2.7Å; D452-R455 PolarHBondContact OD2-NH1 3.25Å; V453-R455 PolarHBondContact O-N 3.04Å; R455-D457 VanDerWaalsContact C-N 3.25Å; R455-D457 PolarHBondContact O-N 3.49Å; R455-L459 VanDerWaalsContact O-CB 3.24Å; R455-L459 WeakPolarHBondContact O-CB 3.39Å; R455-L459 PolarHBondContact O-N 3.34Å; R455-L522 HydrophobicContact CG-CD2 4.09Å; R455-E525 IonicContact CZ-OE2 2.75Å; R455-E525 VanDerWaalsContact CZ-OE2 3.23Å; R455-E525 IonicContact NE-OE2 2.77Å; R455-E525 PolarHBondContact NE-OE2 2.99Å; R455-E525 IonicContact NH2-OE2 3.71Å; R455-E525 PolarHBondContact NH2-OE2 3.35Å; R455-H754 PolarHBondContact NH1-O 3.44Å |
| 456 | S | 67.6 | Low | 72.3 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.007 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -55.3 | -46.1 | 175.9 | -166.2 | 0 | 0 | 0 | 0 | 109.8 | A446 D452 V453 L459 R460 | A446-S456 WeakPolarHBondContact CB-O 3.32Å; A446-S456 PolarHBondContact O-OG 3.38Å; D452-S456 PolarHBondContact O-N 3.28Å; V453-S456 WeakPolarHBondContact O-CB 3.31Å; V453-S456 PolarHBondContact O-N 2.81Å; V453-S456 VanDerWaalsContact O-N 3.15Å; S456-L459 PolarHBondContact O-N 3.41Å; S456-R460 WeakPolarHBondContact O-CG 3.32Å; S456-R460 PolarHBondContact O-N 3.04Å; S456-R460 VanDerWaalsContact OG-CZ 3.32Å; S456-R460 PolarHBondContact OG-NH1 3.32Å; S456-R460 PolarHBondContact OG-NH2 3.07Å |
| 457 | D | 62.2 | Low | 72.6 | Confident | 44 Ų | 44 | 29.2 Ų | 29.2 | 24% | 0.235 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -84.5 | -30.4 | -176.8 | -60.6 | -40.3 | 0 | 0 | 0 | 113.6 | R271 V453 R455 L459 R460 C461 | R271-D457 IonicContact NH1-OD1 3.57Å; R271-D457 IonicContact NH1-OD2 2.85Å; R271-D457 PolarHBondContact NH1-OD2 3.33Å; V453-D457 WeakPolarHBondContact CG1-OD2 3.5Å; V453-D457 PolarHBondContact O-N 3.05Å; V453-D457 VanDerWaalsContact O-OD2 3.1Å; R455-D457 VanDerWaalsContact C-N 3.25Å; R455-D457 PolarHBondContact O-N 3.49Å; D457-L459 VanDerWaalsContact C-N 3.28Å; D457-L459 PolarHBondContact O-N 3.37Å; D457-R460 PolarHBondContact O-N 3.48Å; D457-R460 IonicContact OD1-CZ 3.78Å; D457-R460 IonicContact OD1-NH1 3.61Å; D457-R460 PolarHBondContact OD1-NH1 3.04Å; D457-C461 WeakPolarHBondContact O-CB 3.37Å; D457-C461 PolarHBondContact O-N 2.67Å |
| 458 | A | 71.9 | Confident | 73.1 | Confident | 20 Ų | 20 | 32.8 Ų | 32.8 | 17% | 0.165 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.7 | -36.3 | 167 | 0 | 0 | 0 | 0 | 0 | 111.6 | W454 C461 L462 L522 | W454-A458 WeakPolarHBondContact O-CB 3.31Å; W454-A458 PolarHBondContact O-N 3.13Å; A458-C461 WeakPolarHBondContact O-CB 3.47Å; A458-C461 PolarHBondContact O-N 3.04Å; A458-L462 WeakPolarHBondContact O-CG 3.48Å; A458-L462 PolarHBondContact O-N 3.38Å; A458-L462 VanDerWaalsContact O-N 3.16Å; A458-L522 HydrophobicContact CB-CD1 4.1Å |
| 459 | L | 82.9 | Confident | 74 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -71.5 | -41.4 | 173.9 | -174.6 | 53.8 | 0 | 0 | 0 | 111.7 | G442 A445 A446 L450 R455 S456 D457 C461 L462 T463 M519 L522 V523 | G442-L459 VanDerWaalsContact O-CD2 3.24Å; G442-L459 WeakPolarHBondContact O-CD2 3.43Å; A445-L459 HydrophobicContact CB-CD2 3.9Å; A446-L459 HydrophobicContact CB-CB 4.27Å; A446-L459 HydrophobicContact CB-CD2 4.12Å; A446-L459 HydrophobicContact CB-CG 4.24Å; L450-L459 HydrophobicContact CD1-CB 4.29Å; L450-L459 HydrophobicContact CD1-CD2 3.67Å; R455-L459 VanDerWaalsContact O-CB 3.24Å; R455-L459 WeakPolarHBondContact O-CB 3.39Å; R455-L459 PolarHBondContact O-N 3.34Å; S456-L459 PolarHBondContact O-N 3.41Å; D457-L459 VanDerWaalsContact C-N 3.28Å; D457-L459 PolarHBondContact O-N 3.37Å; L459-C461 VanDerWaalsContact C-N 3.27Å; L459-C461 PolarHBondContact O-N 3.41Å; L459-L462 PolarHBondContact O-N 3.39Å; L459-L462 VanDerWaalsContact O-N 3.11Å; L459-T463 HydrophobicContact CD1-CG2 4.46Å; L459-T463 WeakPolarHBondContact O-CG2 3.17Å; L459-T463 PolarHBondContact O-N 2.83Å; L459-T463 PolarHBondContact O-OG1 3.33Å; L459-M519 HydrophobicContact CD1-CB 4.5Å; L459-M519 HydrophobicContact CD1-CG 3.59Å; L459-L522 HydrophobicContact CB-CD1 4.14Å; L459-L522 HydrophobicContact CD1-CB 4.47Å; L459-V523 HydrophobicContact CD1-CG2 3.85Å; L459-V523 HydrophobicContact CD2-CG2 3.7Å; L459-V523 HydrophobicContact CG-CG2 4.46Å |
| 460 | R | 82 | Confident | 75.2 | Confident | 63 Ų | 63 | 30.6 Ų | 30.6 | 24% | 0.238 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.8 | -33 | 170.7 | -73.7 | 179.3 | -176.3 | 104.2 | 18.3 | 113.7 | A446 S456 D457 T463 S464 | A446-R460 HydrophobicContact CB-CG 4.14Å; A446-R460 PolarHBondContact O-NH2 3.17Å; S456-R460 WeakPolarHBondContact O-CG 3.32Å; S456-R460 PolarHBondContact O-N 3.04Å; S456-R460 VanDerWaalsContact OG-CZ 3.32Å; S456-R460 PolarHBondContact OG-NH1 3.32Å; S456-R460 PolarHBondContact OG-NH2 3.07Å; D457-R460 PolarHBondContact O-N 3.48Å; D457-R460 IonicContact OD1-CZ 3.78Å; D457-R460 IonicContact OD1-NH1 3.61Å; D457-R460 PolarHBondContact OD1-NH1 3.04Å; R460-T463 VanDerWaalsContact C-OG1 3.25Å; R460-T463 WeakPolarHBondContact CA-OG1 3.27Å; R460-T463 PolarHBondContact O-OG1 3.3Å; R460-S464 WeakPolarHBondContact O-CB 3.41Å; R460-S464 PolarHBondContact O-N 2.91Å; R460-S464 PolarHBondContact O-OG 3.1Å |
| 461 | C | 79.4 | Confident | 76.9 | Confident | 39 Ų | 39 | 32.1 Ų | 32.1 | 26% | 0.264 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -66.7 | -43.4 | 173.6 | -172.5 | 0 | 0 | 0 | 0 | 110.6 | D457 A458 L459 S464 Q465 | D457-C461 WeakPolarHBondContact O-CB 3.37Å; D457-C461 PolarHBondContact O-N 2.67Å; A458-C461 WeakPolarHBondContact O-CB 3.47Å; A458-C461 PolarHBondContact O-N 3.04Å; L459-C461 VanDerWaalsContact C-N 3.27Å; L459-C461 PolarHBondContact O-N 3.41Å; C461-S464 PolarHBondContact O-OG 2.93Å; C461-S464 VanDerWaalsContact O-OG 3.04Å; C461-Q465 WeakPolarHBondContact O-CB 3.34Å; C461-Q465 VanDerWaalsContact O-CG 3.24Å; C461-Q465 WeakPolarHBondContact O-CG 3.3Å; C461-Q465 PolarHBondContact O-N 3.34Å; C461-Q465 VanDerWaalsContact O-N 3.14Å |
| 462 | L | 85 | Confident | 78.9 | Confident | 12 Ų | 12 | 31.1 Ų | 31.1 | 6% | 0.063 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -73 | -37.9 | 178.7 | -66.9 | 170.7 | 0 | 0 | 0 | 113.4 | A458 L459 L466 T515 R518 M519 L522 | A458-L462 WeakPolarHBondContact O-CG 3.48Å; A458-L462 PolarHBondContact O-N 3.38Å; A458-L462 VanDerWaalsContact O-N 3.16Å; L459-L462 PolarHBondContact O-N 3.39Å; L459-L462 VanDerWaalsContact O-N 3.11Å; L462-L466 VanDerWaalsContact O-CB 3.24Å; L462-L466 WeakPolarHBondContact O-CB 3.16Å; L462-L466 PolarHBondContact O-N 2.9Å; L462-T515 HydrophobicContact CD2-CG2 3.79Å; L462-R518 HydrophobicContact CD1-CB 4.09Å; L462-M519 HydrophobicContact CB-CB 4.26Å; L462-M519 HydrophobicContact CB-CG 4.43Å; L462-M519 HydrophobicContact CD1-CB 4.26Å; L462-L522 HydrophobicContact CD1-CD1 3.92Å |
| 463 | T | 87.6 | Confident | 81 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.9 | -48.4 | 175.1 | 50.5 | 0 | 0 | 0 | 0 | 111.3 | V439 E443 L459 R460 L466 M519 | V439-T463 VanDerWaalsContact CG2-O 3.26Å; V439-T463 WeakPolarHBondContact CG2-O 3.35Å; E443-T463 HydrophobicContact CG-CG2 3.96Å; E443-T463 VanDerWaalsContact OE1-CB 3.29Å; E443-T463 WeakPolarHBondContact OE1-CB 3.2Å; E443-T463 PolarHBondContact OE1-OG1 3.17Å; L459-T463 HydrophobicContact CD1-CG2 4.46Å; L459-T463 WeakPolarHBondContact O-CG2 3.17Å; L459-T463 PolarHBondContact O-N 2.83Å; L459-T463 PolarHBondContact O-OG1 3.33Å; R460-T463 VanDerWaalsContact C-OG1 3.25Å; R460-T463 WeakPolarHBondContact CA-OG1 3.27Å; R460-T463 PolarHBondContact O-OG1 3.3Å; T463-L466 PolarHBondContact O-N 2.89Å; T463-M519 HydrophobicContact CG2-CE 3.48Å; T463-M519 VanDerWaalsContact CG2-CE 3.48Å |
| 464 | S | 83.4 | Confident | 83 | Confident | 78 Ų | 78 | 28.9 Ų | 28.9 | 55% | 0.545 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -65 | -40.9 | 179.5 | 53.9 | 0 | 0 | 0 | 0 | 112.3 | R460 C461 | R460-S464 WeakPolarHBondContact O-CB 3.41Å; R460-S464 PolarHBondContact O-N 2.91Å; R460-S464 PolarHBondContact O-OG 3.1Å; C461-S464 PolarHBondContact O-OG 2.93Å; C461-S464 VanDerWaalsContact O-OG 3.04Å |
| 465 | Q | 84.9 | Confident | 84.5 | Confident | 34 Ų | 34 | 27.3 Ų | 27.3 | 16% | 0.159 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67.1 | -41.3 | 175.1 | -73.3 | 177.9 | -2.9 | 0 | 0 | 113.5 | E113 C461 N467 E468 L469 | E113-Q465 PolarHBondContact OE1-NE2 3.25Å; C461-Q465 WeakPolarHBondContact O-CB 3.34Å; C461-Q465 VanDerWaalsContact O-CG 3.24Å; C461-Q465 WeakPolarHBondContact O-CG 3.3Å; C461-Q465 PolarHBondContact O-N 3.34Å; C461-Q465 VanDerWaalsContact O-N 3.14Å; Q465-N467 VanDerWaalsContact C-N 3.35Å; Q465-N467 PolarHBondContact O-N 3.45Å; Q465-E468 PolarHBondContact O-N 3.01Å; Q465-L469 WeakPolarHBondContact O-CB 3.23Å; Q465-L469 PolarHBondContact O-N 2.96Å |
| 466 | L | 90.8 | Very high | 86 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.1 | -37.2 | -168.1 | -171.5 | 70.2 | 0 | 0 | 0 | 113.5 | L438 V439 L462 T463 G470 W512 T515 A516 M519 | L438-L466 HydrophobicContact CB-CD2 4.09Å; L438-L466 HydrophobicContact CD1-CD2 4.33Å; V439-L466 HydrophobicContact CG2-CB 4.16Å; V439-L466 HydrophobicContact CG2-CD2 4.32Å; L462-L466 VanDerWaalsContact O-CB 3.24Å; L462-L466 WeakPolarHBondContact O-CB 3.16Å; L462-L466 PolarHBondContact O-N 2.9Å; T463-L466 PolarHBondContact O-N 2.89Å; L466-G470 PolarHBondContact O-N 3.3Å; L466-W512 HydrophobicContact CD1-CD2 4.12Å; L466-W512 HydrophobicContact CD1-CG 4.17Å; L466-W512 HydrophobicContact CD1-CZ2 4.16Å; L466-W512 HydrophobicContact CD2-CZ2 4.48Å; L466-W512 HydrophobicContact CG-CZ2 4.47Å; L466-T515 HydrophobicContact CD1-CG2 4.17Å; L466-A516 HydrophobicContact CD1-CB 4.02Å; L466-M519 HydrophobicContact CD2-CE 4.3Å; L466-M519 HydrophobicContact CD2-SD 3.62Å |
| 467 | N | 87.5 | Confident | 87.2 | Confident | 47 Ų | 47 | 26.9 Ų | 26.9 | 25% | 0.251 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -71.4 | -41.7 | -178.9 | -110.6 | -1.9 | 0 | 0 | 0 | 112.1 | C435 N436 V439 Q465 G470 A471 | C435-N467 WeakPolarHBondContact CB-OD1 3.44Å; N436-N467 PolarHBondContact N-OD1 3.01Å; N436-N467 PolarHBondContact OD1-ND2 3.1Å; V439-N467 HydrophobicContact CG2-CB 4.17Å; Q465-N467 VanDerWaalsContact C-N 3.35Å; Q465-N467 PolarHBondContact O-N 3.45Å; N467-G470 PolarHBondContact O-N 2.92Å; N467-A471 PolarHBondContact O-N 3.41Å |
| 468 | E | 88.4 | Confident | 88.7 | Confident | 113 Ų | 113 | 27.7 Ų | 27.7 | 53% | 0.528 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -67.8 | -45.6 | 175.5 | -167.1 | 174.2 | -173 | 0 | 0 | 110.6 | F105 Q465 G470 A471 Q472 | F105-E468 HydrophobicContact CD2-CG 3.85Å; F105-E468 WeakPolarHBondContact CD2-OE1 3.35Å; F105-E468 HydrophobicContact CE2-CB 4.16Å; F105-E468 HydrophobicContact CE2-CG 3.6Å; Q465-E468 PolarHBondContact O-N 3.01Å; E468-G470 VanDerWaalsContact C-N 3.26Å; E468-G470 PolarHBondContact O-N 3.38Å; E468-A471 WeakPolarHBondContact O-CB 3.48Å; E468-A471 PolarHBondContact O-N 3.16Å; E468-Q472 WeakPolarHBondContact O-CG 3.42Å; E468-Q472 PolarHBondContact O-N 3.14Å; E468-Q472 VanDerWaalsContact O-N 3.1Å |
| 469 | L | 92.6 | Very high | 89.6 | Confident | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.5 | -36 | 175.3 | -179.6 | 55 | 0 | 0 | 0 | 112.3 | F105 Q465 A471 Q472 V473 M508 H511 W512 | F105-L469 HydrophobicContact CE1-CD1 4.15Å; F105-L469 HydrophobicContact CZ-CB 4.4Å; F105-L469 HydrophobicContact CZ-CD1 4.48Å; Q465-L469 WeakPolarHBondContact O-CB 3.23Å; Q465-L469 PolarHBondContact O-N 2.96Å; L469-A471 PolarHBondContact O-N 3.17Å; L469-Q472 PolarHBondContact O-N 3.04Å; L469-Q472 VanDerWaalsContact O-N 3.14Å; L469-V473 WeakPolarHBondContact O-CG2 3.24Å; L469-V473 PolarHBondContact O-N 3.34Å; L469-M508 HydrophobicContact CD1-CE 3.73Å; L469-H511 WeakPolarHBondContact CD1-CE1 3.37Å; L469-H511 VanDerWaalsContact CD1-ND1 3.28Å; L469-H511 WeakPolarHBondContact CD1-ND1 3.48Å; L469-H511 WeakPolarHBondContact CD2-CE1 3.29Å; L469-H511 WeakPolarHBondContact CD2-ND1 3.36Å; L469-H511 WeakPolarHBondContact CG-CE1 3.17Å; L469-W512 HydrophobicContact CD2-CB 4.18Å; L469-W512 HydrophobicContact CG-CB 4.15Å |
| 470 | G | 93.6 | Very high | 90 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.6 | -42.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113 | L466 N467 E468 Q472 V473 V474 | L466-G470 PolarHBondContact O-N 3.3Å; N467-G470 PolarHBondContact O-N 2.92Å; E468-G470 VanDerWaalsContact C-N 3.26Å; E468-G470 PolarHBondContact O-N 3.38Å; G470-Q472 VanDerWaalsContact C-N 3.3Å; G470-Q472 PolarHBondContact O-N 2.96Å; G470-V473 PolarHBondContact O-N 3.49Å; G470-V474 WeakPolarHBondContact O-CG2 3.19Å; G470-V474 PolarHBondContact O-N 3.48Å |
| 471 | A | 93.5 | Very high | 90.4 | Very high | 42 Ų | 42 | 24.6 Ų | 24.6 | 35% | 0.347 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -63.9 | -36.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | N467 E468 L469 V474 L475 | N467-A471 PolarHBondContact O-N 3.41Å; E468-A471 WeakPolarHBondContact O-CB 3.48Å; E468-A471 PolarHBondContact O-N 3.16Å; L469-A471 PolarHBondContact O-N 3.17Å; A471-V474 WeakPolarHBondContact O-CB 3.42Å; A471-V474 PolarHBondContact O-N 3.42Å; A471-L475 WeakPolarHBondContact O-CG 3.49Å; A471-L475 PolarHBondContact O-N 3.09Å |
| 472 | Q | 94 | Very high | 90.9 | Very high | 18 Ų | 18 | 25.3 Ų | 25.3 | 8% | 0.084 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -71.1 | -37 | 178.8 | -60.5 | -67.5 | -15.8 | 0 | 0 | 112.8 | A101 N102 F105 E468 L469 G470 V474 L475 A476 M508 | A101-Q472 PolarHBondContact O-OE1 3.01Å; N102-Q472 PolarHBondContact ND2-O 2.81Å; N102-Q472 PolarHBondContact ND2-OE1 3.3Å; F105-Q472 HydrophobicContact CB-CG 4.04Å; F105-Q472 HydrophobicContact CD1-CB 4.25Å; F105-Q472 HydrophobicContact CD1-CG 3.6Å; F105-Q472 HydrophobicContact CD2-CG 3.91Å; F105-Q472 HydrophobicContact CE1-CB 4.46Å; F105-Q472 HydrophobicContact CE1-CG 3.99Å; F105-Q472 HydrophobicContact CE2-CG 4.27Å; F105-Q472 HydrophobicContact CG-CG 3.56Å; F105-Q472 HydrophobicContact CZ-CG 4.32Å; E468-Q472 WeakPolarHBondContact O-CG 3.42Å; E468-Q472 PolarHBondContact O-N 3.14Å; E468-Q472 VanDerWaalsContact O-N 3.1Å; L469-Q472 PolarHBondContact O-N 3.04Å; L469-Q472 VanDerWaalsContact O-N 3.14Å; G470-Q472 VanDerWaalsContact C-N 3.3Å; G470-Q472 PolarHBondContact O-N 2.96Å; Q472-V474 VanDerWaalsContact C-N 3.31Å; Q472-V474 PolarHBondContact O-N 3.08Å; Q472-L475 PolarHBondContact O-N 3.23Å; Q472-A476 PolarHBondContact O-N 3.43Å; Q472-M508 HydrophobicContact CB-CE 3.54Å |
| 473 | V | 95.7 | Very high | 91 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.5 | -41.4 | 169.9 | 169.7 | 0 | 0 | 0 | 0 | 111.2 | L404 L407 F431 L469 G470 A476 G477 F505 M508 W512 | L404-V473 HydrophobicContact CD1-CG1 3.67Å; L407-V473 HydrophobicContact CD2-CG1 4.39Å; F431-V473 HydrophobicContact CE1-CB 4.28Å; F431-V473 HydrophobicContact CE1-CG1 4.1Å; F431-V473 HydrophobicContact CZ-CG1 4.24Å; L469-V473 WeakPolarHBondContact O-CG2 3.24Å; L469-V473 PolarHBondContact O-N 3.34Å; G470-V473 PolarHBondContact O-N 3.49Å; V473-A476 PolarHBondContact O-N 3.4Å; V473-G477 PolarHBondContact O-N 3.22Å; V473-F505 HydrophobicContact CG1-CE2 3.95Å; V473-F505 WeakPolarHBondContact O-CE2 3.47Å; V473-M508 HydrophobicContact CG2-CB 4.16Å; V473-M508 WeakPolarHBondContact CG2-O 3.39Å; V473-W512 HydrophobicContact CG2-CB 3.74Å; V473-W512 HydrophobicContact CG2-CG 4.24Å |
| 474 | V | 95.3 | Very high | 90.8 | Very high | 5 Ų | 5 | 25.1 Ų | 25.1 | 3% | 0.03 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65 | -38.3 | 174.8 | 166.1 | 0 | 0 | 0 | 0 | 111.9 | L407 Y424 M428 F431 L432 G470 A471 Q472 G477 R478 | L407-V474 HydrophobicContact CD2-CG2 3.95Å; Y424-V474 PolarHBondContact OH-O 3.37Å; M428-V474 HydrophobicContact CB-CG1 4.48Å; M428-V474 HydrophobicContact CE-CG1 3.87Å; M428-V474 HydrophobicContact CG-CG1 3.62Å; M428-V474 HydrophobicContact CG-CG2 4.07Å; M428-V474 HydrophobicContact SD-CG1 3.52Å; M428-V474 VanDerWaalsContact SD-CG1 3.52Å; F431-V474 HydrophobicContact CD1-CG2 3.85Å; F431-V474 HydrophobicContact CE1-CG2 4.14Å; L432-V474 HydrophobicContact CD1-CG2 4.31Å; L432-V474 HydrophobicContact CD2-CG2 4.16Å; L432-V474 HydrophobicContact CG-CG2 4.14Å; G470-V474 WeakPolarHBondContact O-CG2 3.19Å; G470-V474 PolarHBondContact O-N 3.48Å; A471-V474 WeakPolarHBondContact O-CB 3.42Å; A471-V474 PolarHBondContact O-N 3.42Å; Q472-V474 VanDerWaalsContact C-N 3.31Å; Q472-V474 PolarHBondContact O-N 3.08Å; V474-G477 PolarHBondContact O-N 2.85Å; V474-R478 VanDerWaalsContact O-CB 3.28Å; V474-R478 WeakPolarHBondContact O-CB 3.24Å; V474-R478 PolarHBondContact O-N 3.49Å |
| 475 | L | 93.8 | Very high | 90.7 | Very high | 47 Ų | 47 | 24.7 Ų | 24.7 | 25% | 0.246 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -66.7 | -41 | 175 | -68.3 | 167.3 | 0 | 0 | 0 | 111.7 | E98 A101 A471 Q472 R478 A479 | E98-L475 HydrophobicContact CB-CB 4.35Å; E98-L475 HydrophobicContact CG-CB 4.46Å; E98-L475 HydrophobicContact CG-CD2 4.09Å; A101-L475 HydrophobicContact CB-CD1 3.81Å; A471-L475 WeakPolarHBondContact O-CG 3.49Å; A471-L475 PolarHBondContact O-N 3.09Å; Q472-L475 PolarHBondContact O-N 3.23Å; L475-R478 PolarHBondContact O-N 2.99Å; L475-A479 PolarHBondContact O-N 3.43Å |
| 476 | A | 94 | Very high | 90.3 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.008 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.9 | -42.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q472 V473 A479 V480 F505 M508 | Q472-A476 PolarHBondContact O-N 3.43Å; V473-A476 PolarHBondContact O-N 3.4Å; A476-A479 WeakPolarHBondContact O-CB 3.49Å; A476-A479 PolarHBondContact O-N 2.88Å; A476-V480 PolarHBondContact O-N 3.09Å; A476-F505 HydrophobicContact CB-CB 4.31Å; A476-F505 HydrophobicContact CB-CD2 4.02Å; A476-M508 HydrophobicContact CB-CB 4.24Å; A476-M508 HydrophobicContact CB-CG 4.02Å |
| 477 | G | 93.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.3 | -39 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y424 V473 V474 A479 V480 V481 | Y424-G477 WeakPolarHBondContact OH-CA 3.24Å; V473-G477 PolarHBondContact O-N 3.22Å; V474-G477 PolarHBondContact O-N 2.85Å; G477-A479 VanDerWaalsContact C-N 3.31Å; G477-A479 PolarHBondContact O-N 3.08Å; G477-V480 WeakPolarHBondContact O-CB 3.24Å; G477-V480 PolarHBondContact O-N 3.02Å; G477-V480 VanDerWaalsContact O-N 3.11Å; G477-V481 PolarHBondContact O-N 3.25Å; G477-V481 VanDerWaalsContact O-N 3.07Å |
| 478 | R | 93.2 | Very high | 89.1 | Confident | 62 Ų | 62 | 29 Ų | 29 | 23% | 0.234 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.2 | -38.7 | 172.7 | -176.6 | 173.9 | -62.6 | -77.4 | -8.3 | 111.9 | E98 Y424 N425 M428 V474 L475 V480 V481 L482 | E98-R478 HydrophobicContact CG-CB 4.23Å; E98-R478 HydrophobicContact CG-CG 4.12Å; E98-R478 VanDerWaalsContact OE1-CD 3.29Å; E98-R478 WeakPolarHBondContact OE1-CD 3.26Å; Y424-R478 HydrophobicContact CE1-CB 4.19Å; Y424-R478 PolarHBondContact OH-N 3.02Å; N425-R478 PolarHBondContact OD1-NH2 2.78Å; M428-R478 PolarHBondContact SD-NH2 3.23Å; V474-R478 VanDerWaalsContact O-CB 3.28Å; V474-R478 WeakPolarHBondContact O-CB 3.24Å; V474-R478 PolarHBondContact O-N 3.49Å; L475-R478 PolarHBondContact O-N 2.99Å; R478-V480 VanDerWaalsContact C-N 3.33Å; R478-V480 PolarHBondContact O-N 3.12Å; R478-V481 PolarHBondContact O-N 3.36Å; R478-L482 HydrophobicContact CG-CD1 4.27Å; R478-L482 WeakPolarHBondContact O-CB 3.46Å; R478-L482 WeakPolarHBondContact O-CG 3.4Å; R478-L482 PolarHBondContact O-N 3.33Å |
| 479 | A | 91.1 | Very high | 88.2 | Confident | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.008 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.9 | -36.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | E98 L475 A476 G477 S483 T501 | E98-A479 HydrophobicContact CB-CB 4.08Å; L475-A479 PolarHBondContact O-N 3.43Å; A476-A479 WeakPolarHBondContact O-CB 3.49Å; A476-A479 PolarHBondContact O-N 2.88Å; G477-A479 VanDerWaalsContact C-N 3.31Å; G477-A479 PolarHBondContact O-N 3.08Å; A479-S483 VanDerWaalsContact O-CB 3.3Å; A479-S483 WeakPolarHBondContact O-CB 3.47Å; A479-S483 PolarHBondContact O-N 3Å; A479-S483 PolarHBondContact O-OG 3.45Å; A479-T501 HydrophobicContact CB-CG2 4.14Å |
| 480 | V | 91.6 | Very high | 87.1 | Confident | 3 Ų | 3 | 36.6 Ų | 36.6 | 2% | 0.018 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.2 | -51.9 | 171.6 | 178.3 | 0 | 0 | 0 | 0 | 110.7 | A476 G477 R478 L482 S483 A484 T501 F505 | A476-V480 PolarHBondContact O-N 3.09Å; G477-V480 WeakPolarHBondContact O-CB 3.24Å; G477-V480 PolarHBondContact O-N 3.02Å; G477-V480 VanDerWaalsContact O-N 3.11Å; R478-V480 VanDerWaalsContact C-N 3.33Å; R478-V480 PolarHBondContact O-N 3.12Å; V480-L482 VanDerWaalsContact C-N 3.32Å; V480-L482 PolarHBondContact O-N 3.16Å; V480-S483 WeakPolarHBondContact CA-OG 3.41Å; V480-S483 PolarHBondContact O-N 3.1Å; V480-S483 VanDerWaalsContact O-N 3.07Å; V480-S483 PolarHBondContact O-OG 3.15Å; V480-A484 PolarHBondContact O-N 3.11Å; V480-T501 WeakPolarHBondContact CG2-O 3.48Å; V480-F505 HydrophobicContact CG2-CB 3.74Å; V480-F505 HydrophobicContact CG2-CD1 3.89Å; V480-F505 HydrophobicContact CG2-CG 4.12Å |
| 481 | V | 90.7 | Very high | 86 | Confident | 13 Ų | 13 | 40.6 Ų | 40.6 | 8% | 0.079 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57.3 | -43.2 | 179.3 | 175.1 | 0 | 0 | 0 | 0 | 111.8 | A411 P419 Q421 Y424 G477 R478 A484 | A411-V481 HydrophobicContact CB-CG2 3.98Å; P419-V481 HydrophobicContact CB-CG1 4.38Å; P419-V481 HydrophobicContact CB-CG2 4.12Å; P419-V481 HydrophobicContact CG-CB 4.35Å; P419-V481 HydrophobicContact CG-CG1 4.12Å; P419-V481 HydrophobicContact CG-CG2 4.28Å; Q421-V481 HydrophobicContact CG-CG1 3.86Å; Y424-V481 HydrophobicContact CD1-CG2 4.27Å; Y424-V481 HydrophobicContact CD2-CG2 3.92Å; Y424-V481 HydrophobicContact CE2-CG2 4.34Å; Y424-V481 HydrophobicContact CG-CG2 3.9Å; G477-V481 PolarHBondContact O-N 3.25Å; G477-V481 VanDerWaalsContact O-N 3.07Å; R478-V481 PolarHBondContact O-N 3.36Å; V481-A484 WeakPolarHBondContact O-CB 3.38Å; V481-A484 PolarHBondContact O-N 3.22Å |
| 482 | L | 88.2 | Confident | 84.8 | Confident | 55 Ų | 55 | 43.6 Ų | 43.6 | 29% | 0.288 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -68.1 | -33.7 | 176.3 | -71.6 | 176.5 | 0 | 0 | 0 | 113.3 | P94 E98 R478 V480 A484 L488 | P94-L482 HydrophobicContact CB-CB 4.28Å; E98-L482 WeakPolarHBondContact OE1-CD1 3.44Å; R478-L482 HydrophobicContact CG-CD1 4.27Å; R478-L482 WeakPolarHBondContact O-CB 3.46Å; R478-L482 WeakPolarHBondContact O-CG 3.4Å; R478-L482 PolarHBondContact O-N 3.33Å; V480-L482 VanDerWaalsContact C-N 3.32Å; V480-L482 PolarHBondContact O-N 3.16Å; L482-A484 VanDerWaalsContact C-N 3.25Å; L482-A484 PolarHBondContact O-N 3.42Å; L482-L488 WeakPolarHBondContact O-CD1 3.11Å |
| 483 | S | 86.9 | Confident | 83.7 | Confident | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -2.9 | 176.8 | 71 | 0 | 0 | 0 | 0 | 114.6 | A479 V480 T501 | A479-S483 VanDerWaalsContact O-CB 3.3Å; A479-S483 WeakPolarHBondContact O-CB 3.47Å; A479-S483 PolarHBondContact O-N 3Å; A479-S483 PolarHBondContact O-OG 3.45Å; V480-S483 WeakPolarHBondContact CA-OG 3.41Å; V480-S483 PolarHBondContact O-N 3.1Å; V480-S483 VanDerWaalsContact O-N 3.07Å; V480-S483 PolarHBondContact O-OG 3.15Å; S483-T501 PolarHBondContact OG-OG1 3.18Å |
| 484 | A | 85.2 | Confident | 82.6 | Confident | 5 Ų | 5 | 44.1 Ų | 44.1 | 4% | 0.041 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -14.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | L418 P419 V480 V481 L482 | L418-A484 WeakPolarHBondContact CD2-O 3.03Å; P419-A484 HydrophobicContact CG-CB 3.63Å; V480-A484 PolarHBondContact O-N 3.11Å; V481-A484 WeakPolarHBondContact O-CB 3.38Å; V481-A484 PolarHBondContact O-N 3.22Å; L482-A484 VanDerWaalsContact C-N 3.25Å; L482-A484 PolarHBondContact O-N 3.42Å |
| 485 | D | 80.9 | Confident | 81.5 | Confident | 68 Ų | 68 | 47.3 Ų | 47.3 | 36% | 0.364 | 27% | 0.269 | S | S | . | . | trans | -56.2 | 121.3 | -179.9 | 174.3 | 11.4 | 0 | 0 | 0 | 111.6 | N487 L488 | D485-N487 PolarHBondContact O-N 2.9Å; D485-N487 VanDerWaalsContact O-N 3.12Å; D485-N487 WeakPolarHBondContact OD1-CB 3.33Å; D485-N487 PolarHBondContact OD1-N 2.74Å; D485-N487 PolarHBondContact OD1-ND2 3.22Å; D485-L488 HydrophobicContact CB-CD1 3.94Å; D485-L488 HydrophobicContact CB-CG 4.03Å; D485-L488 WeakPolarHBondContact O-CB 3.42Å; D485-L488 PolarHBondContact O-N 3.24Å | ||
| 486 | P | 75.6 | Confident | 80.9 | Confident | 63 Ų | 63 | 48.3 Ų | 48.3 | 41% | 0.409 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -54.6 | -30.4 | 177.8 | -26.7 | 36.1 | 0 | 0 | 0 | 114 | L418 L488 Q489 | L418-P486 HydrophobicContact CD1-CG 4.26Å; L418-P486 HydrophobicContact CD2-CG 3.99Å; P486-L488 PolarHBondContact O-N 3.05Å; P486-Q489 WeakPolarHBondContact O-CB 3.47Å; P486-Q489 PolarHBondContact O-N 3.21Å |
| 487 | N | 75.7 | Confident | 80.5 | Confident | 103 Ų | 103 | 48.3 Ų | 48.3 | 55% | 0.551 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -67.1 | -23.4 | -179.3 | -59.2 | -75.9 | 0 | 0 | 0 | 112.7 | D485 Q489 L490 | D485-N487 PolarHBondContact O-N 2.9Å; D485-N487 VanDerWaalsContact O-N 3.12Å; D485-N487 WeakPolarHBondContact OD1-CB 3.33Å; D485-N487 PolarHBondContact OD1-N 2.74Å; D485-N487 PolarHBondContact OD1-ND2 3.22Å; N487-Q489 VanDerWaalsContact C-N 3.27Å; N487-Q489 PolarHBondContact O-N 3.12Å; N487-L490 PolarHBondContact O-N 2.96Å |
| 488 | L | 77.2 | Confident | 80 | Confident | 7 Ų | 7 | 52.7 Ų | 52.7 | 4% | 0.037 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -67.8 | -26.6 | 175.6 | -64.8 | 170.7 | 0 | 0 | 0 | 112.4 | L93 P94 L482 D485 P486 L490 Q491 G494 | L93-L488 HydrophobicContact CD2-CD2 4.27Å; P94-L488 HydrophobicContact CG-CD1 3.73Å; P94-L488 HydrophobicContact CG-CD2 3.91Å; P94-L488 HydrophobicContact CG-CG 4.47Å; L482-L488 WeakPolarHBondContact O-CD1 3.11Å; D485-L488 HydrophobicContact CB-CD1 3.94Å; D485-L488 HydrophobicContact CB-CG 4.03Å; D485-L488 WeakPolarHBondContact O-CB 3.42Å; D485-L488 PolarHBondContact O-N 3.24Å; P486-L488 PolarHBondContact O-N 3.05Å; L488-L490 PolarHBondContact O-N 3.48Å; L488-L490 VanDerWaalsContact O-N 3.17Å; L488-Q491 WeakPolarHBondContact O-CB 3.38Å; L488-Q491 PolarHBondContact O-N 2.99Å; L488-G494 WeakPolarHBondContact O-CA 3.43Å |
| 489 | Q | 69.5 | Low | 79.7 | Confident | 116 Ų | 116 | 55.1 Ų | 55.1 | 54% | 0.542 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -65 | -21.3 | -179 | -58.7 | -178.2 | 25.3 | 0 | 0 | 112.8 | P486 N487 | P486-Q489 WeakPolarHBondContact O-CB 3.47Å; P486-Q489 PolarHBondContact O-N 3.21Å; N487-Q489 VanDerWaalsContact C-N 3.27Å; N487-Q489 PolarHBondContact O-N 3.12Å |
| 490 | L | 69.9 | Low | 79.6 | Confident | 156 Ų | 156 | 56 Ų | 56 | 82% | 0.817 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -83.7 | -9.8 | 175.4 | -59.9 | 174.7 | 0 | 0 | 0 | 113.1 | N487 L488 | N487-L490 PolarHBondContact O-N 2.96Å; L488-L490 PolarHBondContact O-N 3.48Å; L488-L490 VanDerWaalsContact O-N 3.17Å |
| 491 | Q | 71 | Confident | 79.6 | Confident | 85 Ų | 85 | 56 Ų | 56 | 40% | 0.397 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -93.4 | 146.2 | -177.8 | -56.6 | -174.2 | 23.9 | 0 | 0 | 111.3 | L93 L488 G493 G494 | L93-Q491 HydrophobicContact CD2-CB 4.21Å; L488-Q491 WeakPolarHBondContact O-CB 3.38Å; L488-Q491 PolarHBondContact O-N 2.99Å; Q491-G493 PolarHBondContact O-N 2.87Å; Q491-G494 PolarHBondContact O-N 3.39Å |
| 492 | P | 68.4 | Low | 79.7 | Confident | 104 Ų | 104 | 56.6 Ų | 56.6 | 68% | 0.675 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | 124.5 | 173.8 | -26.7 | 35.6 | 0 | 0 | 0 | 111.9 | G494 | P492-G494 PolarHBondContact O-N 3.06Š|
| 493 | G | 70.5 | Confident | 79.9 | Confident | 28 Ų | 28 | 57.3 Ų | 57.3 | 29% | 0.289 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | -15.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116 | Q491 A495 S496 L497 | Q491-G493 PolarHBondContact O-N 2.87Å; G493-A495 PolarHBondContact O-N 3.37Å; G493-S496 PolarHBondContact O-N 2.85Å; G493-S496 VanDerWaalsContact O-N 3.16Å; G493-S496 PolarHBondContact O-OG 3.22Å; G493-L497 PolarHBondContact O-N 3.29Å |
| 494 | G | 73.2 | Confident | 80.2 | Confident | 2 Ų | 2 | 57.1 Ų | 57.1 | 2% | 0.021 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.7 | -35.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | L488 Q491 P492 S496 L497 | L488-G494 WeakPolarHBondContact O-CA 3.43Å; Q491-G494 PolarHBondContact O-N 3.39Å; P492-G494 PolarHBondContact O-N 3.06Å; G494-S496 VanDerWaalsContact C-N 3.3Å; G494-S496 PolarHBondContact O-N 3.41Å; G494-L497 WeakPolarHBondContact O-CB 3.4Å; G494-L497 PolarHBondContact O-N 3.03Å |
| 495 | A | 70.7 | Confident | 80.7 | Confident | 72 Ų | 72 | 56.9 Ų | 56.9 | 60% | 0.595 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -64.5 | -29.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | G493 | G493-A495 PolarHBondContact O-N 3.37Å |
| 496 | S | 81.2 | Confident | 81.3 | Confident | 68 Ų | 68 | 56.6 Ų | 56.6 | 48% | 0.476 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -88.5 | -21.1 | 173.5 | 64.9 | 0 | 0 | 0 | 0 | 112.9 | G493 G494 Q499 A500 | G493-S496 PolarHBondContact O-N 2.85Å; G493-S496 VanDerWaalsContact O-N 3.16Å; G493-S496 PolarHBondContact O-OG 3.22Å; G494-S496 VanDerWaalsContact C-N 3.3Å; G494-S496 PolarHBondContact O-N 3.41Å; S496-Q499 PolarHBondContact O-N 2.63Å; S496-A500 WeakPolarHBondContact O-CB 3.48Å; S496-A500 PolarHBondContact O-N 3.32Å |
| 497 | L | 85.8 | Confident | 82.2 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.6 | -49.2 | 178.3 | -178.5 | 65.6 | 0 | 0 | 0 | 111.9 | L84 T88 L93 G493 G494 Q499 A500 T501 | L84-L497 HydrophobicContact CD1-CD1 3.46Å; L84-L497 VanDerWaalsContact CD1-CD1 3.46Å; T88-L497 HydrophobicContact CG2-CD1 3.55Å; T88-L497 HydrophobicContact CG2-CD2 4.31Å; L93-L497 HydrophobicContact CB-CD2 3.8Å; L93-L497 HydrophobicContact CD1-CB 4.37Å; L93-L497 HydrophobicContact CD1-CD2 3.95Å; L93-L497 HydrophobicContact CG-CD2 4.41Å; G493-L497 PolarHBondContact O-N 3.29Å; G494-L497 WeakPolarHBondContact O-CB 3.4Å; G494-L497 PolarHBondContact O-N 3.03Å; L497-Q499 VanDerWaalsContact C-N 3.28Å; L497-Q499 PolarHBondContact O-N 3.5Å; L497-A500 PolarHBondContact O-N 3.18Å; L497-T501 HydrophobicContact CD1-CG2 3.97Å; L497-T501 HydrophobicContact CG-CG2 4.19Å; L497-T501 PolarHBondContact O-N 3.35Å; L497-T501 PolarHBondContact O-OG1 2.54Å; L497-T501 VanDerWaalsContact O-OG1 3.11Å |
| 498 | K | 83.8 | Confident | 83.1 | Confident | 92 Ų | 92 | 51.4 Ų | 51.4 | 40% | 0.4 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.9 | -35.8 | -177.5 | -175.9 | 174.8 | -180 | 174.7 | 0 | 113.2 | T501 S502 | K498-T501 WeakPolarHBondContact CA-OG1 3.37Å; K498-T501 PolarHBondContact O-OG1 3.3Å; K498-T501 VanDerWaalsContact O-OG1 3.05Å; K498-S502 WeakPolarHBondContact O-CB 3.31Å; K498-S502 PolarHBondContact O-N 2.9Å |
| 499 | Q | 86.6 | Confident | 83.9 | Confident | 113 Ų | 113 | 54.6 Ų | 54.6 | 53% | 0.528 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -71.4 | -46.4 | 173.5 | -170.5 | 63.3 | 48.6 | 0 | 0 | 110.4 | S496 L497 T501 S502 D503 | S496-Q499 PolarHBondContact O-N 2.63Å; L497-Q499 VanDerWaalsContact C-N 3.28Å; L497-Q499 PolarHBondContact O-N 3.5Å; Q499-T501 PolarHBondContact O-N 2.97Å; Q499-S502 PolarHBondContact O-N 2.88Å; Q499-S502 VanDerWaalsContact O-N 3.16Å; Q499-D503 PolarHBondContact NE2-OD1 3.14Å; Q499-D503 WeakPolarHBondContact O-CB 3.25Å; Q499-D503 PolarHBondContact O-N 3.36Å |
| 500 | A | 89.7 | Confident | 85.1 | Confident | 18 Ų | 18 | 53.4 Ų | 53.4 | 15% | 0.149 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63 | -36.1 | -179 | 0 | 0 | 0 | 0 | 0 | 113.8 | S496 L497 H504 | S496-A500 WeakPolarHBondContact O-CB 3.48Å; S496-A500 PolarHBondContact O-N 3.32Å; L497-A500 PolarHBondContact O-N 3.18Å; A500-H504 VanDerWaalsContact O-CB 3.31Å; A500-H504 WeakPolarHBondContact O-CB 3.03Å; A500-H504 PolarHBondContact O-N 2.66Å |
| 501 | T | 92 | Very high | 86.1 | Confident | 4 Ų | 4 | 46 Ų | 46 | 3% | 0.025 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.4 | -44.5 | 172.2 | 50.2 | 0 | 0 | 0 | 0 | 111 | L84 A479 V480 S483 L497 K498 Q499 H504 F505 | L84-T501 HydrophobicContact CD1-CG2 3.61Å; L84-T501 HydrophobicContact CD2-CG2 4.21Å; A479-T501 HydrophobicContact CB-CG2 4.14Å; V480-T501 WeakPolarHBondContact CG2-O 3.48Å; S483-T501 PolarHBondContact OG-OG1 3.18Å; L497-T501 HydrophobicContact CD1-CG2 3.97Å; L497-T501 HydrophobicContact CG-CG2 4.19Å; L497-T501 PolarHBondContact O-N 3.35Å; L497-T501 PolarHBondContact O-OG1 2.54Å; L497-T501 VanDerWaalsContact O-OG1 3.11Å; K498-T501 WeakPolarHBondContact CA-OG1 3.37Å; K498-T501 PolarHBondContact O-OG1 3.3Å; K498-T501 VanDerWaalsContact O-OG1 3.05Å; Q499-T501 PolarHBondContact O-N 2.97Å; T501-H504 PolarHBondContact O-N 3.2Å; T501-F505 VanDerWaalsContact O-CB 3.3Å; T501-F505 WeakPolarHBondContact O-CB 3.31Å; T501-F505 PolarHBondContact O-N 3.44Å |
| 502 | S | 91.2 | Very high | 87.3 | Confident | 25 Ų | 25 | 42 Ų | 42 | 18% | 0.175 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.1 | -43.7 | 177.2 | -176.6 | 0 | 0 | 0 | 0 | 112.1 | K498 Q499 F505 L506 | K498-S502 WeakPolarHBondContact O-CB 3.31Å; K498-S502 PolarHBondContact O-N 2.9Å; Q499-S502 PolarHBondContact O-N 2.88Å; Q499-S502 VanDerWaalsContact O-N 3.16Å; S502-F505 PolarHBondContact O-N 2.86Å; S502-L506 WeakPolarHBondContact O-CG 3.41Å; S502-L506 PolarHBondContact O-N 3.48Å |
| 503 | D | 92.3 | Very high | 88.5 | Confident | 70 Ų | 70 | 37.7 Ų | 37.7 | 37% | 0.374 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.5 | -45.5 | 176.2 | -63.8 | -19 | 0 | 0 | 0 | 110.8 | Q499 F505 L506 M507 | Q499-D503 PolarHBondContact NE2-OD1 3.14Å; Q499-D503 WeakPolarHBondContact O-CB 3.25Å; Q499-D503 PolarHBondContact O-N 3.36Å; D503-F505 PolarHBondContact O-N 3.16Å; D503-L506 WeakPolarHBondContact O-CB 3.2Å; D503-L506 PolarHBondContact O-N 3.37Å; D503-M507 WeakPolarHBondContact O-CG 3.2Å; D503-M507 PolarHBondContact O-N 2.9Å |
| 504 | H | 94.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.2 | -41.3 | 177.8 | -169.4 | 56.6 | 0 | 0 | 0 | 112.1 | S80 S81 L84 A500 T501 L506 M507 M508 | S80-H504 PolarHBondContact OG-ND1 2.85Å; S80-H504 VanDerWaalsContact OG-ND1 3.16Å; S81-H504 VanDerWaalsContact CB-CE1 3.43Å; S81-H504 WeakPolarHBondContact CB-CE1 3.14Å; S81-H504 PolarHBondContact OG-NE2 3.22Å; L84-H504 HydrophobicContact CD2-CB 4.21Å; A500-H504 VanDerWaalsContact O-CB 3.31Å; A500-H504 WeakPolarHBondContact O-CB 3.03Å; A500-H504 PolarHBondContact O-N 2.66Å; T501-H504 PolarHBondContact O-N 3.2Å; H504-L506 PolarHBondContact O-N 2.73Å; H504-M507 WeakPolarHBondContact O-CB 3.27Å; H504-M507 PolarHBondContact O-N 3.04Å; H504-M508 WeakPolarHBondContact O-CG 3.36Å; H504-M508 PolarHBondContact O-N 3.22Å |
| 505 | F | 94.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.1 | -36.9 | 176.3 | -178.8 | -140 | 0 | 0 | 0 | 112.1 | F408 A411 V473 A476 V480 T501 S502 D503 M508 R509 | F408-F505 HydrophobicContact CB-CE1 4.25Å; F408-F505 HydrophobicContact CB-CZ 4.37Å; F408-F505 AromaticContact CD2-CD1 3.64Å; F408-F505 HydrophobicContact CD2-CD1 3.64Å; F408-F505 AromaticContact CD2-CE1 3.29Å; F408-F505 HydrophobicContact CD2-CE1 3.29Å; F408-F505 AromaticContact CD2-CZ 3.92Å; F408-F505 HydrophobicContact CD2-CZ 3.92Å; F408-F505 AromaticContact CE2-CD1 3.73Å; F408-F505 HydrophobicContact CE2-CD1 3.73Å; F408-F505 AromaticContact CE2-CE1 3.87Å; F408-F505 HydrophobicContact CE2-CE1 3.87Å; F408-F505 HydrophobicContact CG-CE1 4.05Å; A411-F505 HydrophobicContact CB-CE1 3.78Å; A411-F505 HydrophobicContact CB-CZ 4.39Å; V473-F505 HydrophobicContact CG1-CE2 3.95Å; V473-F505 WeakPolarHBondContact O-CE2 3.47Å; A476-F505 HydrophobicContact CB-CB 4.31Å; A476-F505 HydrophobicContact CB-CD2 4.02Å; V480-F505 HydrophobicContact CG2-CB 3.74Å; V480-F505 HydrophobicContact CG2-CD1 3.89Å; V480-F505 HydrophobicContact CG2-CG 4.12Å; T501-F505 VanDerWaalsContact O-CB 3.3Å; T501-F505 WeakPolarHBondContact O-CB 3.31Å; T501-F505 PolarHBondContact O-N 3.44Å; S502-F505 PolarHBondContact O-N 2.86Å; D503-F505 PolarHBondContact O-N 3.16Å; F505-M508 PolarHBondContact O-N 3.11Å; F505-R509 WeakPolarHBondContact O-CB 3.39Å; F505-R509 PolarHBondContact O-N 3.4Å |
| 506 | L | 94.1 | Very high | 91.3 | Very high | 61 Ų | 61 | 35.3 Ų | 35.3 | 32% | 0.319 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -61.7 | -42.6 | 170.5 | -77.2 | 168.7 | 0 | 0 | 0 | 112.3 | F408 S502 D503 H504 R509 Q510 | F408-L506 HydrophobicContact CE2-CD2 3.51Å; F408-L506 HydrophobicContact CE2-CG 3.94Å; F408-L506 HydrophobicContact CZ-CD2 3.56Å; F408-L506 HydrophobicContact CZ-CG 4.1Å; S502-L506 WeakPolarHBondContact O-CG 3.41Å; S502-L506 PolarHBondContact O-N 3.48Å; D503-L506 WeakPolarHBondContact O-CB 3.2Å; D503-L506 PolarHBondContact O-N 3.37Å; H504-L506 PolarHBondContact O-N 2.73Å; L506-R509 PolarHBondContact O-N 3.43Å; L506-Q510 PolarHBondContact O-N 3.2Å |
| 507 | M | 94.1 | Very high | 91.8 | Very high | 58 Ų | 58 | 35.7 Ų | 35.7 | 29% | 0.286 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -64 | -45.2 | 176.3 | -64.2 | 173.3 | 81.9 | 0 | 0 | 111.8 | P76 I77 S80 D503 H504 Q510 H511 | P76-M507 HydrophobicContact CB-CE 3.83Å; P76-M507 HydrophobicContact CG-CE 4.44Å; P76-M507 WeakPolarHBondContact O-CE 3.31Å; I77-M507 HydrophobicContact CG1-CE 4.27Å; S80-M507 VanDerWaalsContact CB-SD 3.59Å; S80-M507 PolarHBondContact OG-SD 3.33Å; S80-M507 VanDerWaalsContact OG-SD 3.42Å; D503-M507 WeakPolarHBondContact O-CG 3.2Å; D503-M507 PolarHBondContact O-N 2.9Å; H504-M507 WeakPolarHBondContact O-CB 3.27Å; H504-M507 PolarHBondContact O-N 3.04Å; M507-Q510 PolarHBondContact O-N 3.34Å; M507-H511 WeakPolarHBondContact O-CB 3.32Å; M507-H511 PolarHBondContact O-N 2.73Å |
| 508 | M | 94.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.6 | -39.8 | 176.4 | -68.6 | -62.3 | -68 | 0 | 0 | 112.1 | I77 L106 L469 Q472 V473 A476 H504 F505 Q510 H511 W512 | I77-M508 HydrophobicContact CG2-CG 4.49Å; I77-M508 HydrophobicContact CG2-SD 3.55Å; I77-M508 VanDerWaalsContact CG2-SD 3.55Å; L106-M508 HydrophobicContact CD1-SD 4.38Å; L469-M508 HydrophobicContact CD1-CE 3.73Å; Q472-M508 HydrophobicContact CB-CE 3.54Å; V473-M508 HydrophobicContact CG2-CB 4.16Å; V473-M508 WeakPolarHBondContact CG2-O 3.39Å; A476-M508 HydrophobicContact CB-CB 4.24Å; A476-M508 HydrophobicContact CB-CG 4.02Å; H504-M508 WeakPolarHBondContact O-CG 3.36Å; H504-M508 PolarHBondContact O-N 3.22Å; F505-M508 PolarHBondContact O-N 3.11Å; M508-Q510 PolarHBondContact O-N 2.82Å; M508-H511 PolarHBondContact O-N 3.39Å; M508-W512 PolarHBondContact O-N 3.48Å |
| 509 | R | 94.6 | Very high | 92.1 | Very high | 73 Ų | 73 | 34.5 Ų | 34.5 | 28% | 0.275 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -59.9 | -44.2 | 174.5 | -171.1 | -167.5 | 76.8 | 178.6 | 7.2 | 111.3 | L404 F505 L506 T513 | L404-R509 HydrophobicContact CD1-CG 4.14Å; L404-R509 HydrophobicContact CD2-CG 3.78Å; L404-R509 HydrophobicContact CG-CG 3.91Å; F505-R509 WeakPolarHBondContact O-CB 3.39Å; F505-R509 PolarHBondContact O-N 3.4Å; L506-R509 PolarHBondContact O-N 3.43Å; R509-T513 WeakPolarHBondContact O-CB 3.49Å; R509-T513 PolarHBondContact O-N 3.27Å; R509-T513 PolarHBondContact O-OG1 2.68Å |
| 510 | Q | 93.8 | Very high | 92.3 | Very high | 91 Ų | 91 | 30.5 Ų | 30.5 | 43% | 0.425 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -65.5 | -47.3 | 176.1 | -166.3 | 62.5 | 41 | 0 | 0 | 110.9 | L506 M507 M508 W512 T513 D514 | L506-Q510 PolarHBondContact O-N 3.2Å; M507-Q510 PolarHBondContact O-N 3.34Å; M508-Q510 PolarHBondContact O-N 2.82Å; Q510-W512 VanDerWaalsContact C-N 3.29Å; Q510-W512 PolarHBondContact O-N 2.9Å; Q510-T513 CarbonylContact O-C 3.3Å; Q510-T513 WeakPolarHBondContact O-CA 3.25Å; Q510-T513 WeakPolarHBondContact O-CB 3.3Å; Q510-T513 PolarHBondContact O-N 3.04Å; Q510-D514 PolarHBondContact NE2-OD1 3.18Å; Q510-D514 PolarHBondContact O-N 3.5Å |
| 511 | H | 92.3 | Very high | 92.2 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -55.4 | -41.3 | 179.1 | -170.1 | -125 | 0 | 0 | 0 | 113.5 | R73 L74 I77 E109 L469 M507 M508 T515 | R73-H511 PolarHBondContact NH1-CD2 2.85Å; R73-H511 PolarHBondContact NH1-O 2.72Å; R73-H511 VanDerWaalsContact NH1-O 3.09Å; L74-H511 WeakPolarHBondContact CD2-NE2 3.39Å; I77-H511 HydrophobicContact CD1-CB 3.73Å; E109-H511 IonicContact OE1-NE2 3.3Å; E109-H511 PolarHBondContact OE1-NE2 3.46Å; E109-H511 IonicContact OE2-NE2 3.54Å; E109-H511 PolarHBondContact OE2-NE2 3.07Å; L469-H511 WeakPolarHBondContact CD1-CE1 3.37Å; L469-H511 VanDerWaalsContact CD1-ND1 3.28Å; L469-H511 WeakPolarHBondContact CD1-ND1 3.48Å; L469-H511 WeakPolarHBondContact CD2-CE1 3.29Å; L469-H511 WeakPolarHBondContact CD2-ND1 3.36Å; L469-H511 WeakPolarHBondContact CG-CE1 3.17Å; M507-H511 WeakPolarHBondContact O-CB 3.32Å; M507-H511 PolarHBondContact O-N 2.73Å; M508-H511 PolarHBondContact O-N 3.39Å; H511-T515 WeakPolarHBondContact O-CB 3.49Å; H511-T515 PolarHBondContact O-N 3.04Å; H511-T515 PolarHBondContact O-OG1 3.27Å |
| 512 | W | 95.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -68.1 | -44.3 | 172.2 | -175 | 98.2 | 0 | 0 | 0 | 111.7 | L400 L404 F431 L438 L466 L469 V473 M508 Q510 T515 A516 | L400-W512 WeakPolarHBondContact O-CH2 3.1Å; L404-W512 HydrophobicContact CD2-CD2 4.01Å; L404-W512 HydrophobicContact CD2-CE3 3.33Å; L404-W512 HydrophobicContact CD2-CZ3 3.78Å; F431-W512 HydrophobicContact CE2-CD2 4.1Å; F431-W512 AromaticContact CE2-CE2 3.64Å; F431-W512 HydrophobicContact CE2-CE3 4.38Å; F431-W512 AromaticContact CE2-CH2 3.88Å; F431-W512 HydrophobicContact CE2-CH2 3.88Å; F431-W512 AromaticContact CE2-CZ2 3.54Å; F431-W512 HydrophobicContact CE2-CZ2 3.54Å; F431-W512 HydrophobicContact CE2-CZ3 4.29Å; F431-W512 AromaticContact CZ-CD2 4Å; F431-W512 HydrophobicContact CZ-CD2 4Å; F431-W512 AromaticContact CZ-CE2 3.61Å; F431-W512 HydrophobicContact CZ-CG 4.26Å; F431-W512 AromaticContact CZ-CZ2 3.99Å; F431-W512 HydrophobicContact CZ-CZ2 3.99Å; F431-W512 AromaticContact CZ-NE1 3.62Å; L438-W512 HydrophobicContact CD1-CH2 3.98Å; L438-W512 HydrophobicContact CD1-CZ2 4.05Å; L466-W512 HydrophobicContact CD1-CD2 4.12Å; L466-W512 HydrophobicContact CD1-CG 4.17Å; L466-W512 HydrophobicContact CD1-CZ2 4.16Å; L466-W512 HydrophobicContact CD2-CZ2 4.48Å; L466-W512 HydrophobicContact CG-CZ2 4.47Å; L469-W512 HydrophobicContact CD2-CB 4.18Å; L469-W512 HydrophobicContact CG-CB 4.15Å; V473-W512 HydrophobicContact CG2-CB 3.74Å; V473-W512 HydrophobicContact CG2-CG 4.24Å; M508-W512 PolarHBondContact O-N 3.48Å; Q510-W512 VanDerWaalsContact C-N 3.29Å; Q510-W512 PolarHBondContact O-N 2.9Å; W512-T515 WeakPolarHBondContact O-CB 3.34Å; W512-T515 PolarHBondContact O-N 3.49Å; W512-T515 VanDerWaalsContact O-N 3.13Å; W512-A516 HydrophobicContact CD2-CB 4.37Å; W512-A516 HydrophobicContact CE3-CB 3.95Å; W512-A516 HydrophobicContact CH2-CB 3.94Å; W512-A516 HydrophobicContact CZ2-CB 4.34Å; W512-A516 HydrophobicContact CZ3-CB 3.73Å; W512-A516 WeakPolarHBondContact O-CB 3.28Å; W512-A516 PolarHBondContact O-N 3.13Å |
| 513 | T | 94.2 | Very high | 91.6 | Very high | 15 Ų | 15 | 31.3 Ų | 31.3 | 9% | 0.092 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.7 | -50.8 | 179.7 | -55.2 | 0 | 0 | 0 | 0 | 111.3 | V401 R509 Q510 T515 A516 E517 | V401-T513 HydrophobicContact CG2-CG2 4.07Å; R509-T513 WeakPolarHBondContact O-CB 3.49Å; R509-T513 PolarHBondContact O-N 3.27Å; R509-T513 PolarHBondContact O-OG1 2.68Å; Q510-T513 CarbonylContact O-C 3.3Å; Q510-T513 WeakPolarHBondContact O-CA 3.25Å; Q510-T513 WeakPolarHBondContact O-CB 3.3Å; Q510-T513 PolarHBondContact O-N 3.04Å; T513-T515 PolarHBondContact O-N 3.13Å; T513-T515 VanDerWaalsContact O-N 3.15Å; T513-A516 PolarHBondContact O-N 3.38Å; T513-E517 HydrophobicContact CG2-CG 4.22Å; T513-E517 WeakPolarHBondContact O-CB 3.46Å; T513-E517 WeakPolarHBondContact O-CG 3.43Å; T513-E517 PolarHBondContact O-N 3.22Å |
| 514 | D | 90.3 | Very high | 91.3 | Very high | 51 Ų | 51 | 28.8 Ų | 28.8 | 27% | 0.273 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -57.9 | -31.5 | 176.8 | -49.8 | -29.3 | 0 | 0 | 0 | 112.4 | R73 Q510 R518 | R73-D514 IonicContact NH1-OD2 3.84Å; Q510-D514 PolarHBondContact NE2-OD1 3.18Å; Q510-D514 PolarHBondContact O-N 3.5Å; D514-R518 WeakPolarHBondContact O-CB 3.33Å; D514-R518 VanDerWaalsContact O-CG 3.24Å; D514-R518 WeakPolarHBondContact O-CG 3.45Å; D514-R518 PolarHBondContact O-N 2.76Å; D514-R518 VanDerWaalsContact O-N 3.15Å; D514-R518 PolarHBondContact O-NE 3.44Å; D514-R518 VanDerWaalsContact O-NE 3.07Å |
| 515 | T | 90.2 | Very high | 90.4 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.006 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -78.1 | -44.8 | -180 | -55 | 0 | 0 | 0 | 0 | 110.7 | R73 L462 L466 H511 W512 T513 E517 R518 M519 | R73-T515 PolarHBondContact NH1-OG1 2.81Å; R73-T515 PolarHBondContact NH2-OG1 2.96Å; L462-T515 HydrophobicContact CD2-CG2 3.79Å; L466-T515 HydrophobicContact CD1-CG2 4.17Å; H511-T515 WeakPolarHBondContact O-CB 3.49Å; H511-T515 PolarHBondContact O-N 3.04Å; H511-T515 PolarHBondContact O-OG1 3.27Å; W512-T515 WeakPolarHBondContact O-CB 3.34Å; W512-T515 PolarHBondContact O-N 3.49Å; W512-T515 VanDerWaalsContact O-N 3.13Å; T513-T515 PolarHBondContact O-N 3.13Å; T513-T515 VanDerWaalsContact O-N 3.15Å; T515-E517 VanDerWaalsContact C-N 3.32Å; T515-E517 PolarHBondContact O-N 3.04Å; T515-R518 PolarHBondContact OG1-NH2 3.03Å; T515-M519 WeakPolarHBondContact O-CB 3.28Å; T515-M519 PolarHBondContact O-N 2.83Å |
| 516 | A | 93.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.3 | -33.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L400 L466 W512 T513 R520 | L400-A516 HydrophobicContact CD1-CB 3.97Å; L400-A516 HydrophobicContact CD2-CB 3.9Å; L400-A516 HydrophobicContact CG-CB 4.02Å; L466-A516 HydrophobicContact CD1-CB 4.02Å; W512-A516 HydrophobicContact CD2-CB 4.37Å; W512-A516 HydrophobicContact CE3-CB 3.95Å; W512-A516 HydrophobicContact CH2-CB 3.94Å; W512-A516 HydrophobicContact CZ2-CB 4.34Å; W512-A516 HydrophobicContact CZ3-CB 3.73Å; W512-A516 WeakPolarHBondContact O-CB 3.28Å; W512-A516 PolarHBondContact O-N 3.13Å; T513-A516 PolarHBondContact O-N 3.38Å; A516-R520 WeakPolarHBondContact O-CB 3.44Å; A516-R520 PolarHBondContact O-N 2.97Å |
| 517 | E | 91 | Very high | 89.1 | Confident | 76 Ų | 76 | 28.3 Ų | 28.3 | 36% | 0.355 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -77.4 | -37.6 | 178.5 | -69.7 | -149.3 | 131.4 | 0 | 0 | 113.2 | L400 T513 T515 M519 R520 A521 | L400-E517 HydrophobicContact CD2-CB 4.42Å; L400-E517 HydrophobicContact CD2-CG 3.55Å; T513-E517 HydrophobicContact CG2-CG 4.22Å; T513-E517 WeakPolarHBondContact O-CB 3.46Å; T513-E517 WeakPolarHBondContact O-CG 3.43Å; T513-E517 PolarHBondContact O-N 3.22Å; T515-E517 VanDerWaalsContact C-N 3.32Å; T515-E517 PolarHBondContact O-N 3.04Å; E517-M519 VanDerWaalsContact C-N 3.34Å; E517-R520 PolarHBondContact O-N 3.25Å; E517-R520 IonicContact OE1-CZ 2.66Å; E517-R520 IonicContact OE1-NH1 2.78Å; E517-R520 PolarHBondContact OE1-NH1 3.36Å; E517-R520 IonicContact OE1-NH2 2.73Å; E517-R520 PolarHBondContact OE1-NH2 3.27Å; E517-R520 IonicContact OE2-NH2 3.23Å; E517-A521 WeakPolarHBondContact O-CB 3.39Å; E517-A521 PolarHBondContact O-N 3.23Å |
| 518 | R | 86 | Confident | 88.5 | Confident | 66 Ų | 66 | 28.6 Ų | 28.6 | 25% | 0.249 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.7 | -42.2 | 168.5 | -72.7 | 176.9 | -57.5 | 143.7 | 6.6 | 111.5 | Q70 L462 D514 T515 A521 L522 | Q70-R518 VanDerWaalsContact NE2-NH1 3.11Å; L462-R518 HydrophobicContact CD1-CB 4.09Å; D514-R518 WeakPolarHBondContact O-CB 3.33Å; D514-R518 VanDerWaalsContact O-CG 3.24Å; D514-R518 WeakPolarHBondContact O-CG 3.45Å; D514-R518 PolarHBondContact O-N 2.76Å; D514-R518 VanDerWaalsContact O-N 3.15Å; D514-R518 PolarHBondContact O-NE 3.44Å; D514-R518 VanDerWaalsContact O-NE 3.07Å; T515-R518 PolarHBondContact OG1-NH2 3.03Å; R518-A521 WeakPolarHBondContact O-CB 3.4Å; R518-A521 PolarHBondContact O-N 3.47Å; R518-L522 PolarHBondContact O-N 2.92Å; R518-L522 VanDerWaalsContact O-N 3.1Å |
| 519 | M | 90.4 | Very high | 88.1 | Confident | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.8 | -48.6 | 174.1 | -173.8 | -159 | -157.2 | 0 | 0 | 111 | Y397 L438 L459 L462 T463 L466 T515 E517 A521 L522 V523 | Y397-M519 HydrophobicContact CE1-SD 4.21Å; Y397-M519 WeakPolarHBondContact OH-CE 3.44Å; Y397-M519 PolarHBondContact OH-SD 3.44Å; L438-M519 HydrophobicContact CB-SD 4.45Å; L438-M519 VanDerWaalsContact O-CE 3.31Å; L438-M519 WeakPolarHBondContact O-CE 3.28Å; L459-M519 HydrophobicContact CD1-CB 4.5Å; L459-M519 HydrophobicContact CD1-CG 3.59Å; L462-M519 HydrophobicContact CB-CB 4.26Å; L462-M519 HydrophobicContact CB-CG 4.43Å; L462-M519 HydrophobicContact CD1-CB 4.26Å; T463-M519 HydrophobicContact CG2-CE 3.48Å; T463-M519 VanDerWaalsContact CG2-CE 3.48Å; L466-M519 HydrophobicContact CD2-CE 4.3Å; L466-M519 HydrophobicContact CD2-SD 3.62Å; T515-M519 WeakPolarHBondContact O-CB 3.28Å; T515-M519 PolarHBondContact O-N 2.83Å; E517-M519 VanDerWaalsContact C-N 3.34Å; M519-A521 VanDerWaalsContact C-N 3.28Å; M519-A521 PolarHBondContact O-N 3.46Å; M519-L522 PolarHBondContact O-N 3.01Å; M519-V523 WeakPolarHBondContact O-CB 3.43Å; M519-V523 VanDerWaalsContact O-CG2 3.25Å; M519-V523 WeakPolarHBondContact O-CG2 3.44Å; M519-V523 PolarHBondContact O-N 3.04Å |
| 520 | R | 90.9 | Very high | 87.7 | Confident | 30 Ų | 30 | 27 Ų | 27 | 11% | 0.113 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.9 | -38.2 | 174 | -174.1 | -176.2 | 69.4 | -146.5 | -4.8 | 112 | Y397 L400 A516 E517 V523 D524 | Y397-R520 HydrophobicContact CD1-CB 3.66Å; Y397-R520 HydrophobicContact CD1-CG 3.65Å; Y397-R520 HydrophobicContact CE1-CB 3.99Å; Y397-R520 HydrophobicContact CE1-CG 4.44Å; Y397-R520 HydrophobicContact CG-CG 4.25Å; L400-R520 HydrophobicContact CD2-CB 4.36Å; L400-R520 VanDerWaalsContact CD2-NH1 3.28Å; A516-R520 WeakPolarHBondContact O-CB 3.44Å; A516-R520 PolarHBondContact O-N 2.97Å; E517-R520 PolarHBondContact O-N 3.25Å; E517-R520 IonicContact OE1-CZ 2.66Å; E517-R520 IonicContact OE1-NH1 2.78Å; E517-R520 PolarHBondContact OE1-NH1 3.36Å; E517-R520 IonicContact OE1-NH2 2.73Å; E517-R520 PolarHBondContact OE1-NH2 3.27Å; E517-R520 IonicContact OE2-NH2 3.23Å; R520-V523 PolarHBondContact O-N 2.98Å; R520-D524 VanDerWaalsContact O-CB 3.23Å; R520-D524 WeakPolarHBondContact O-CB 3.4Å; R520-D524 PolarHBondContact O-N 3.31Å |
| 521 | A | 86.2 | Confident | 87.4 | Confident | 42 Ų | 42 | 24.4 Ų | 24.4 | 35% | 0.347 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -65.2 | -46.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | E517 R518 M519 V523 D524 E525 | E517-A521 WeakPolarHBondContact O-CB 3.39Å; E517-A521 PolarHBondContact O-N 3.23Å; R518-A521 WeakPolarHBondContact O-CB 3.4Å; R518-A521 PolarHBondContact O-N 3.47Å; M519-A521 VanDerWaalsContact C-N 3.28Å; M519-A521 PolarHBondContact O-N 3.46Å; A521-V523 VanDerWaalsContact C-N 3.3Å; A521-V523 PolarHBondContact O-N 3.06Å; A521-D524 PolarHBondContact O-N 3.44Å; A521-E525 WeakPolarHBondContact O-CG 3.31Å; A521-E525 PolarHBondContact O-N 3.42Å |
| 522 | L | 82.9 | Confident | 87.4 | Confident | 21 Ų | 21 | 24.7 Ų | 24.7 | 11% | 0.11 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.2 | -38.1 | 174.9 | -65.8 | -176.7 | 0 | 0 | 0 | 112.2 | R455 A458 L459 L462 R518 M519 E525 A526 | R455-L522 HydrophobicContact CG-CD2 4.09Å; A458-L522 HydrophobicContact CB-CD1 4.1Å; L459-L522 HydrophobicContact CB-CD1 4.14Å; L459-L522 HydrophobicContact CD1-CB 4.47Å; L462-L522 HydrophobicContact CD1-CD1 3.92Å; R518-L522 PolarHBondContact O-N 2.92Å; R518-L522 VanDerWaalsContact O-N 3.1Å; M519-L522 PolarHBondContact O-N 3.01Å; L522-E525 WeakPolarHBondContact O-CB 3.47Å; L522-E525 PolarHBondContact O-N 2.91Å; L522-A526 PolarHBondContact O-N 2.95Å; L522-A526 VanDerWaalsContact O-N 3.08Å |
| 523 | V | 88.3 | Confident | 87.2 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -72.7 | -41.2 | 178.5 | 173.7 | 0 | 0 | 0 | 0 | 111.7 | I393 Y397 A445 L459 M519 R520 A521 E525 A526 | I393-V523 HydrophobicContact CB-CG1 4.11Å; I393-V523 HydrophobicContact CD1-CG1 3.49Å; I393-V523 VanDerWaalsContact CD1-CG1 3.49Å; I393-V523 HydrophobicContact CG1-CG1 3.47Å; I393-V523 VanDerWaalsContact CG1-CG1 3.47Å; I393-V523 HydrophobicContact CG2-CG1 3.57Å; Y397-V523 HydrophobicContact CD2-CG1 4.13Å; Y397-V523 HydrophobicContact CE2-CB 4.46Å; Y397-V523 HydrophobicContact CE2-CG1 3.82Å; Y397-V523 HydrophobicContact CE2-CG2 4.47Å; A445-V523 HydrophobicContact CB-CG2 4.23Å; L459-V523 HydrophobicContact CD1-CG2 3.85Å; L459-V523 HydrophobicContact CD2-CG2 3.7Å; L459-V523 HydrophobicContact CG-CG2 4.46Å; M519-V523 WeakPolarHBondContact O-CB 3.43Å; M519-V523 VanDerWaalsContact O-CG2 3.25Å; M519-V523 WeakPolarHBondContact O-CG2 3.44Å; M519-V523 PolarHBondContact O-N 3.04Å; R520-V523 PolarHBondContact O-N 2.98Å; A521-V523 VanDerWaalsContact C-N 3.3Å; A521-V523 PolarHBondContact O-N 3.06Å; V523-E525 PolarHBondContact O-N 2.95Å; V523-A526 PolarHBondContact O-N 3.46Å |
| 524 | D | 86.1 | Confident | 87.1 | Confident | 18 Ų | 18 | 25 Ų | 25 | 10% | 0.096 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -69.3 | -13.1 | 171.5 | -77 | -10.9 | 0 | 0 | 0 | 112 | R520 A521 R572 R579 | R520-D524 VanDerWaalsContact O-CB 3.23Å; R520-D524 WeakPolarHBondContact O-CB 3.4Å; R520-D524 PolarHBondContact O-N 3.31Å; A521-D524 PolarHBondContact O-N 3.44Å; D524-R572 IonicContact OD2-CZ 2.74Å; D524-R572 IonicContact OD2-NE 3.86Å; D524-R572 IonicContact OD2-NH2 3.59Å; D524-R572 PolarHBondContact OD2-NH2 3.3Å; D524-R579 PolarHBondContact O-NH1 2.93Å; D524-R579 PolarHBondContact O-NH2 3.35Å |
| 525 | E | 76.2 | Confident | 87.1 | Confident | 39 Ų | 39 | 23.3 Ų | 23.3 | 18% | 0.182 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -87.5 | -31.2 | 168.8 | -84.9 | -178.3 | -142.2 | 0 | 0 | 113.2 | R455 A521 L522 V523 V527 | R455-E525 IonicContact CZ-OE2 2.75Å; R455-E525 VanDerWaalsContact CZ-OE2 3.23Å; R455-E525 IonicContact NE-OE2 2.77Å; R455-E525 PolarHBondContact NE-OE2 2.99Å; R455-E525 IonicContact NH2-OE2 3.71Å; R455-E525 PolarHBondContact NH2-OE2 3.35Å; A521-E525 WeakPolarHBondContact O-CG 3.31Å; A521-E525 PolarHBondContact O-N 3.42Å; L522-E525 WeakPolarHBondContact O-CB 3.47Å; L522-E525 PolarHBondContact O-N 2.91Å; V523-E525 PolarHBondContact O-N 2.95Å; E525-V527 PolarHBondContact O-N 3.27Å; E525-V527 VanDerWaalsContact O-N 3.16Å |
| 526 | A | 76.5 | Confident | 87.2 | Confident | 7 Ų | 7 | 23.3 Ų | 23.3 | 6% | 0.058 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -69.4 | -7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | K449 L450 L522 V523 | K449-A526 WeakPolarHBondContact CD-O 3.44Å; K449-A526 WeakPolarHBondContact CE-O 3.44Å; K449-A526 WeakPolarHBondContact CG-O 3.34Å; L450-A526 HydrophobicContact CD1-CB 4.49Å; L450-A526 HydrophobicContact CD2-CB 3.73Å; L450-A526 HydrophobicContact CG-CB 3.95Å; L522-A526 PolarHBondContact O-N 2.95Å; L522-A526 VanDerWaalsContact O-N 3.08Å; V523-A526 PolarHBondContact O-N 3.46Å |
| 527 | V | 83.3 | Confident | 87.2 | Confident | 4 Ų | 4 | 24.7 Ų | 24.7 | 2% | 0.024 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -114.5 | 148.1 | -171.4 | -178.2 | 0 | 0 | 0 | 0 | 110.6 | T390 I393 E525 F532 Q757 | T390-V527 HydrophobicContact CG2-CG1 3.56Å; I393-V527 HydrophobicContact CD1-CG2 3.36Å; I393-V527 HydrophobicContact CG2-CG2 4.3Å; E525-V527 PolarHBondContact O-N 3.27Å; E525-V527 VanDerWaalsContact O-N 3.16Å; V527-F532 HydrophobicContact CG1-CB 3.91Å; V527-F532 HydrophobicContact CG1-CD2 4.34Å; V527-Q757 PolarHBondContact O-NE2 2.69Å |
| 528 | D | 82.1 | Confident | 87.2 | Confident | 64 Ų | 64 | 25.8 Ų | 25.8 | 34% | 0.342 | 15% | 0.146 | S | C | . | . | trans | -71.7 | 139.4 | 170.6 | 167.3 | 61.1 | 0 | 0 | 0 | 111.4 | N530 A531 F532 | D528-N530 PolarHBondContact O-N 2.92Å; D528-N530 WeakPolarHBondContact OD2-CA 3.38Å; D528-N530 VanDerWaalsContact OD2-CB 3.31Å; D528-N530 WeakPolarHBondContact OD2-CB 3.35Å; D528-N530 PolarHBondContact OD2-N 3.42Å; D528-A531 HydrophobicContact CB-CB 4.04Å; D528-A531 PolarHBondContact O-N 3.08Å; D528-A531 PolarHBondContact OD2-N 3.21Å; D528-F532 WeakPolarHBondContact O-CB 3.33Å; D528-F532 PolarHBondContact O-N 3.4Å | ||
| 529 | A | 86.3 | Confident | 87.4 | Confident | 13 Ų | 13 | 22.7 Ų | 22.7 | 11% | 0.107 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65.6 | -36.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | I533 L576 E580 I647 | A529-I533 WeakPolarHBondContact O-CB 3.28Å; A529-I533 WeakPolarHBondContact O-CD1 3.34Å; A529-I533 WeakPolarHBondContact O-CG1 3.18Å; A529-I533 PolarHBondContact O-N 3.2Å; A529-I533 VanDerWaalsContact O-N 3.11Å; A529-L576 HydrophobicContact CB-CD1 4.37Å; A529-L576 HydrophobicContact CB-CD2 4.2Å; A529-E580 HydrophobicContact CB-CG 4.47Å; A529-I647 HydrophobicContact CB-CG2 4.17Å |
| 530 | N | 87 | Confident | 87.5 | Confident | 27 Ų | 27 | 22.6 Ų | 22.6 | 14% | 0.144 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -72.1 | -42.7 | 177.6 | -71.5 | -63.2 | 0 | 0 | 0 | 111.2 | D528 I533 A534 I647 S648 | D528-N530 PolarHBondContact O-N 2.92Å; D528-N530 WeakPolarHBondContact OD2-CA 3.38Å; D528-N530 VanDerWaalsContact OD2-CB 3.31Å; D528-N530 WeakPolarHBondContact OD2-CB 3.35Å; D528-N530 PolarHBondContact OD2-N 3.42Å; N530-I533 PolarHBondContact O-N 3.26Å; N530-A534 WeakPolarHBondContact O-CB 3.41Å; N530-A534 PolarHBondContact O-N 2.99Å; N530-I647 PolarHBondContact ND2-O 2.93Å; N530-I647 VanDerWaalsContact ND2-O 3.08Å; N530-I647 WeakPolarHBondContact OD1-CB 3.29Å; N530-I647 WeakPolarHBondContact OD1-CG2 3.43Å; N530-I647 PolarHBondContact OD1-O 3.07Å; N530-S648 PolarHBondContact OD1-N 3.42Å |
| 531 | A | 87.6 | Confident | 87.7 | Confident | 37 Ų | 37 | 25.5 Ų | 25.5 | 31% | 0.306 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -61.5 | -43.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | T390 D528 A534 A535 | T390-A531 HydrophobicContact CG2-CB 3.96Å; T390-A531 WeakPolarHBondContact CG2-O 3.47Å; D528-A531 HydrophobicContact CB-CB 4.04Å; D528-A531 PolarHBondContact O-N 3.08Å; D528-A531 PolarHBondContact OD2-N 3.21Å; A531-A534 PolarHBondContact O-N 3.19Å; A531-A535 WeakPolarHBondContact O-CB 3.31Å; A531-A535 PolarHBondContact O-N 3.33Å |
| 532 | F | 90.9 | Very high | 87.9 | Confident | 6 Ų | 6 | 26.9 Ų | 26.9 | 3% | 0.026 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.1 | -45.1 | 175.2 | -175.7 | -86.7 | 0 | 0 | 0 | 111.8 | I393 A394 V527 D528 A534 A535 Q536 R572 L576 | I393-F532 HydrophobicContact CG2-CE2 4.23Å; A394-F532 HydrophobicContact CB-CD2 4.45Å; A394-F532 HydrophobicContact CB-CE2 4.39Å; V527-F532 HydrophobicContact CG1-CB 3.91Å; V527-F532 HydrophobicContact CG1-CD2 4.34Å; D528-F532 WeakPolarHBondContact O-CB 3.33Å; D528-F532 PolarHBondContact O-N 3.4Å; F532-A534 VanDerWaalsContact C-N 3.34Å; F532-A534 PolarHBondContact O-N 2.92Å; F532-A535 PolarHBondContact O-N 2.68Å; F532-Q536 HydrophobicContact CD1-CG 3.91Å; F532-Q536 HydrophobicContact CE1-CG 3.6Å; F532-Q536 HydrophobicContact CZ-CG 4.12Å; F532-Q536 WeakPolarHBondContact O-CG 3.26Å; F532-Q536 PolarHBondContact O-N 2.98Å; F532-R572 HydrophobicContact CE1-CB 4.29Å; F532-R572 HydrophobicContact CZ-CB 4.25Å; F532-L576 HydrophobicContact CB-CD2 4.18Å; F532-L576 HydrophobicContact CD1-CD2 3.53Å; F532-L576 HydrophobicContact CE1-CD2 4.2Å; F532-L576 HydrophobicContact CG-CD2 4.11Å |
| 533 | I | 91.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.2 | -38.1 | 178.9 | -69.3 | 168.1 | 0 | 0 | 0 | 110.9 | A529 N530 Q536 E537 V573 L576 I640 I643 K644 I647 | A529-I533 WeakPolarHBondContact O-CB 3.28Å; A529-I533 WeakPolarHBondContact O-CD1 3.34Å; A529-I533 WeakPolarHBondContact O-CG1 3.18Å; A529-I533 PolarHBondContact O-N 3.2Å; A529-I533 VanDerWaalsContact O-N 3.11Å; N530-I533 PolarHBondContact O-N 3.26Å; I533-Q536 PolarHBondContact O-N 3.45Å; I533-E537 VanDerWaalsContact O-CB 3.31Å; I533-E537 WeakPolarHBondContact O-CB 3.25Å; I533-E537 PolarHBondContact O-N 2.84Å; I533-V573 HydrophobicContact CG1-CG1 4.23Å; I533-V573 HydrophobicContact CG1-CG2 4.45Å; I533-L576 HydrophobicContact CD1-CD2 3.98Å; I533-L576 HydrophobicContact CG1-CD2 3.81Å; I533-I640 HydrophobicContact CG2-CG2 4.26Å; I533-I643 HydrophobicContact CD1-CG2 3.99Å; I533-K644 HydrophobicContact CG2-CB 4.17Å; I533-K644 HydrophobicContact CG2-CG 4.37Å; I533-I647 HydrophobicContact CD1-CD1 3.39Å |
| 534 | A | 91.3 | Very high | 88.6 | Confident | 22 Ų | 22 | 26.5 Ų | 26.5 | 18% | 0.182 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.5 | -42.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | N530 A531 F532 E537 I538 | N530-A534 WeakPolarHBondContact O-CB 3.41Å; N530-A534 PolarHBondContact O-N 2.99Å; A531-A534 PolarHBondContact O-N 3.19Å; F532-A534 VanDerWaalsContact C-N 3.34Å; F532-A534 PolarHBondContact O-N 2.92Å; A534-E537 PolarHBondContact O-N 2.98Å; A534-I538 WeakPolarHBondContact O-CD1 3.41Å; A534-I538 VanDerWaalsContact O-CG1 3.28Å; A534-I538 WeakPolarHBondContact O-CG1 3.44Å; A534-I538 PolarHBondContact O-N 3.02Å |
| 535 | A | 90.6 | Very high | 88.9 | Confident | 16 Ų | 16 | 27.8 Ų | 27.8 | 13% | 0.132 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.6 | -39.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T390 A394 A531 F532 I538 G539 | T390-A535 HydrophobicContact CG2-CB 4.01Å; A394-A535 HydrophobicContact CB-CB 3.68Å; A531-A535 WeakPolarHBondContact O-CB 3.31Å; A531-A535 PolarHBondContact O-N 3.33Å; F532-A535 PolarHBondContact O-N 2.68Å; A535-I538 PolarHBondContact O-N 3.21Å; A535-G539 PolarHBondContact O-N 2.86Å |
| 536 | Q | 93.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67.5 | -38.5 | 174.1 | -67.6 | -61.6 | -7.7 | 0 | 0 | 112.5 | A394 F532 I533 G539 M540 V573 | A394-Q536 HydrophobicContact CB-CG 4.37Å; A394-Q536 PolarHBondContact O-NE2 3.25Å; A394-Q536 PolarHBondContact O-OE1 3.21Å; F532-Q536 HydrophobicContact CD1-CG 3.91Å; F532-Q536 HydrophobicContact CE1-CG 3.6Å; F532-Q536 HydrophobicContact CZ-CG 4.12Å; F532-Q536 WeakPolarHBondContact O-CG 3.26Å; F532-Q536 PolarHBondContact O-N 2.98Å; I533-Q536 PolarHBondContact O-N 3.45Å; Q536-G539 PolarHBondContact O-N 2.95Å; Q536-M540 WeakPolarHBondContact O-CB 3.37Å; Q536-M540 VanDerWaalsContact O-CG 3.25Å; Q536-M540 WeakPolarHBondContact O-CG 3.36Å; Q536-M540 PolarHBondContact O-N 3.08Å; Q536-V573 HydrophobicContact CB-CG2 3.57Å; Q536-V573 HydrophobicContact CG-CG2 3.88Å |
| 537 | E | 92.7 | Very high | 90.4 | Very high | 30 Ų | 30 | 29.3 Ų | 29.3 | 14% | 0.14 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.6 | -48.1 | 173.3 | -178.9 | -180 | -144.6 | 0 | 0 | 111.2 | I533 A534 G539 M540 L541 I640 K644 | I533-E537 VanDerWaalsContact O-CB 3.31Å; I533-E537 WeakPolarHBondContact O-CB 3.25Å; I533-E537 PolarHBondContact O-N 2.84Å; A534-E537 PolarHBondContact O-N 2.98Å; E537-G539 VanDerWaalsContact C-N 3.34Å; E537-G539 PolarHBondContact O-N 3.23Å; E537-M540 PolarHBondContact O-N 2.91Å; E537-L541 WeakPolarHBondContact O-CG 3.24Å; E537-L541 PolarHBondContact O-N 2.94Å; E537-I640 HydrophobicContact CB-CG2 4.08Å; E537-I640 HydrophobicContact CG-CG2 4.39Å; E537-K644 WeakPolarHBondContact OE2-CD 3.49Å; E537-K644 IonicContact OE2-NZ 3.7Å; E537-K644 PolarHBondContact OE2-NZ 3.12Å |
| 538 | I | 90.8 | Very high | 90.8 | Very high | 99 Ų | 99 | 31.9 Ų | 31.9 | 51% | 0.508 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -61.3 | -42.2 | 174.9 | -68.1 | 164 | 0 | 0 | 0 | 111 | A534 A535 L541 R542 | A534-I538 WeakPolarHBondContact O-CD1 3.41Å; A534-I538 VanDerWaalsContact O-CG1 3.28Å; A534-I538 WeakPolarHBondContact O-CG1 3.44Å; A534-I538 PolarHBondContact O-N 3.02Å; A535-I538 PolarHBondContact O-N 3.21Å; I538-L541 PolarHBondContact O-N 3.49Å; I538-R542 PolarHBondContact O-N 3.29Å |
| 539 | G | 90.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.1 | -43.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | A535 Q536 E537 L541 R542 D543 | A535-G539 PolarHBondContact O-N 2.86Å; Q536-G539 PolarHBondContact O-N 2.95Å; E537-G539 VanDerWaalsContact C-N 3.34Å; E537-G539 PolarHBondContact O-N 3.23Å; G539-L541 VanDerWaalsContact C-N 3.34Å; G539-L541 PolarHBondContact O-N 3.09Å; G539-R542 PolarHBondContact O-N 2.88Å; G539-D543 PolarHBondContact O-N 3.39Å |
| 540 | M | 93 | Very high | 91.5 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.8 | -34.6 | 176.3 | -71.7 | 171.1 | 69.1 | 0 | 0 | 112.1 | Q536 E537 S544 I566 R569 A570 L636 L637 I640 | Q536-M540 WeakPolarHBondContact O-CB 3.37Å; Q536-M540 VanDerWaalsContact O-CG 3.25Å; Q536-M540 WeakPolarHBondContact O-CG 3.36Å; Q536-M540 PolarHBondContact O-N 3.08Å; E537-M540 PolarHBondContact O-N 2.91Å; M540-S544 VanDerWaalsContact O-CB 3.28Å; M540-S544 WeakPolarHBondContact O-CB 3.33Å; M540-S544 PolarHBondContact O-N 3.06Å; M540-S544 PolarHBondContact O-OG 2.97Å; M540-I566 HydrophobicContact CE-CG2 3.86Å; M540-I566 HydrophobicContact CG-CG2 4.38Å; M540-R569 HydrophobicContact CG-CB 3.53Å; M540-R569 HydrophobicContact CG-CG 4.25Å; M540-R569 HydrophobicContact SD-CB 3.99Å; M540-A570 HydrophobicContact CE-CB 3.99Å; M540-A570 HydrophobicContact SD-CB 4.4Å; M540-L636 HydrophobicContact CE-CD1 4.26Å; M540-L636 HydrophobicContact CE-CD2 3.71Å; M540-L636 HydrophobicContact CE-CG 3.71Å; M540-L637 HydrophobicContact CB-CD2 3.93Å; M540-L637 HydrophobicContact CE-CD2 4.37Å; M540-I640 HydrophobicContact CE-CD1 4.46Å; M540-I640 HydrophobicContact CE-CG1 3.97Å; M540-I640 HydrophobicContact SD-CD1 4.35Å; M540-I640 HydrophobicContact SD-CG1 4.14Å |
| 541 | L | 93.9 | Very high | 91.6 | Very high | 91 Ų | 91 | 32.6 Ų | 32.6 | 48% | 0.476 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -67.3 | -43.2 | 171.9 | -69.4 | 169.1 | 0 | 0 | 0 | 111.8 | E537 I538 G539 S544 A545 L637 | E537-L541 WeakPolarHBondContact O-CG 3.24Å; E537-L541 PolarHBondContact O-N 2.94Å; I538-L541 PolarHBondContact O-N 3.49Å; G539-L541 VanDerWaalsContact C-N 3.34Å; G539-L541 PolarHBondContact O-N 3.09Å; L541-S544 WeakPolarHBondContact O-CB 3.33Å; L541-S544 PolarHBondContact O-N 3.49Å; L541-A545 PolarHBondContact O-N 3.35Å; L541-L637 HydrophobicContact CD2-CD1 3.85Å; L541-L637 HydrophobicContact CD2-CD2 4.15Å; L541-L637 HydrophobicContact CG-CD2 4.35Å |
| 542 | R | 91.8 | Very high | 91.7 | Very high | 71 Ų | 71 | 34.9 Ų | 34.9 | 27% | 0.268 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61.6 | -46.5 | 176 | -161.2 | -168.5 | -54.8 | 153 | 13.7 | 111.6 | E395 I538 G539 S544 A545 R546 | E395-R542 IonicContact OE1-CZ 2.69Å; E395-R542 VanDerWaalsContact OE1-CZ 3.27Å; E395-R542 IonicContact OE1-NH1 2.69Å; E395-R542 PolarHBondContact OE1-NH1 3.36Å; E395-R542 IonicContact OE1-NH2 2.73Å; E395-R542 PolarHBondContact OE1-NH2 3.3Å; E395-R542 IonicContact OE2-CZ 3.84Å; E395-R542 IonicContact OE2-NH1 3.72Å; E395-R542 PolarHBondContact OE2-NH1 3.03Å; I538-R542 PolarHBondContact O-N 3.29Å; G539-R542 PolarHBondContact O-N 2.88Å; R542-S544 VanDerWaalsContact C-N 3.34Å; R542-A545 PolarHBondContact O-N 3.41Å; R542-R546 PolarHBondContact O-N 3.08Å; R542-R546 VanDerWaalsContact O-N 3.1Å |
| 543 | D | 92.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -71.9 | -26.9 | 178 | -67.5 | -44 | 0 | 0 | 0 | 112 | G539 R546 T547 R565 I566 R569 | G539-D543 PolarHBondContact O-N 3.39Å; D543-R546 WeakPolarHBondContact O-CB 3.5Å; D543-R546 PolarHBondContact O-N 3.3Å; D543-R546 WeakPolarHBondContact OD1-CD 3.27Å; D543-R546 IonicContact OD1-CZ 2.85Å; D543-R546 IonicContact OD1-NH1 3.04Å; D543-R546 PolarHBondContact OD1-NH1 3.35Å; D543-T547 PolarHBondContact O-N 2.95Å; D543-T547 PolarHBondContact O-OG1 3.43Å; D543-R565 HydrophobicContact CB-CB 4.32Å; D543-I566 HydrophobicContact CB-CG1 3.86Å; D543-R569 IonicContact OD2-CZ 2.76Å; D543-R569 IonicContact OD2-NE 2.64Å; D543-R569 PolarHBondContact OD2-NE 2.92Å; D543-R569 IonicContact OD2-NH2 3.7Å; D543-R569 PolarHBondContact OD2-NH2 2.68Å |
| 544 | S | 92.9 | Very high | 91.6 | Very high | 12 Ų | 12 | 43 Ų | 43 | 8% | 0.084 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65 | -43.3 | 169.3 | -63.4 | 0 | 0 | 0 | 0 | 112.6 | M540 L541 R542 R546 T547 E548 N633 | M540-S544 VanDerWaalsContact O-CB 3.28Å; M540-S544 WeakPolarHBondContact O-CB 3.33Å; M540-S544 PolarHBondContact O-N 3.06Å; M540-S544 PolarHBondContact O-OG 2.97Å; L541-S544 WeakPolarHBondContact O-CB 3.33Å; L541-S544 PolarHBondContact O-N 3.49Å; R542-S544 VanDerWaalsContact C-N 3.34Å; S544-R546 VanDerWaalsContact C-N 3.31Å; S544-R546 PolarHBondContact O-N 2.92Å; S544-T547 WeakPolarHBondContact O-CB 3.44Å; S544-T547 PolarHBondContact O-N 3.31Å; S544-T547 VanDerWaalsContact O-N 3.12Å; S544-E548 PolarHBondContact O-N 3.29Å; S544-N633 WeakPolarHBondContact CB-ND2 3.5Å; S544-N633 PolarHBondContact OG-ND2 2.82Å |
| 545 | A | 93.7 | Very high | 91.5 | Very high | 45 Ų | 45 | 44 Ų | 44 | 37% | 0.372 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.7 | -37.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L541 R542 T547 E548 N549 | L541-A545 PolarHBondContact O-N 3.35Å; R542-A545 PolarHBondContact O-N 3.41Å; A545-T547 VanDerWaalsContact C-N 3.33Å; A545-T547 PolarHBondContact O-N 3.05Å; A545-E548 PolarHBondContact O-N 3.29Å; A545-N549 PolarHBondContact O-N 2.94Å |
| 546 | R | 91.4 | Very high | 91.4 | Very high | 78 Ų | 78 | 45.9 Ų | 45.9 | 29% | 0.294 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62 | -36.5 | 170.5 | -72.5 | 171.2 | 166.4 | 159.5 | -5.8 | 112.6 | R542 D543 S544 S550 | R542-R546 PolarHBondContact O-N 3.08Å; R542-R546 VanDerWaalsContact O-N 3.1Å; D543-R546 WeakPolarHBondContact O-CB 3.5Å; D543-R546 PolarHBondContact O-N 3.3Å; D543-R546 WeakPolarHBondContact OD1-CD 3.27Å; D543-R546 IonicContact OD1-CZ 2.85Å; D543-R546 IonicContact OD1-NH1 3.04Å; D543-R546 PolarHBondContact OD1-NH1 3.35Å; S544-R546 VanDerWaalsContact C-N 3.31Å; S544-R546 PolarHBondContact O-N 2.92Å; R546-S550 WeakPolarHBondContact O-CB 3.48Å; R546-S550 PolarHBondContact O-N 2.81Å; R546-S550 PolarHBondContact O-OG 2.89Å |
| 547 | T | 91.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.4 | -46 | 173.9 | -46.3 | 0 | 0 | 0 | 0 | 111.6 | D543 S544 A545 N549 S550 I551 V559 S562 T563 W629 | D543-T547 PolarHBondContact O-N 2.95Å; D543-T547 PolarHBondContact O-OG1 3.43Å; S544-T547 WeakPolarHBondContact O-CB 3.44Å; S544-T547 PolarHBondContact O-N 3.31Å; S544-T547 VanDerWaalsContact O-N 3.12Å; A545-T547 VanDerWaalsContact C-N 3.33Å; A545-T547 PolarHBondContact O-N 3.05Å; T547-N549 VanDerWaalsContact C-N 3.35Å; T547-N549 PolarHBondContact O-N 3.46Å; T547-S550 WeakPolarHBondContact O-CB 3.48Å; T547-S550 PolarHBondContact O-N 3.46Å; T547-S550 VanDerWaalsContact O-N 3.1Å; T547-I551 HydrophobicContact CG2-CD1 4.21Å; T547-I551 WeakPolarHBondContact O-CG1 3.14Å; T547-I551 PolarHBondContact O-N 2.89Å; T547-V559 HydrophobicContact CG2-CG1 4.2Å; T547-V559 HydrophobicContact CG2-CG2 4.29Å; T547-S562 WeakPolarHBondContact CA-OG 3.44Å; T547-S562 WeakPolarHBondContact CB-OG 3.09Å; T547-S562 VanDerWaalsContact OG1-CB 3.24Å; T547-S562 WeakPolarHBondContact OG1-CB 3.12Å; T547-S562 PolarHBondContact OG1-OG 3.06Å; T547-T563 HydrophobicContact CG2-CG2 3.79Å; T547-W629 VanDerWaalsContact CB-CH2 3.47Å; T547-W629 HydrophobicContact CG2-CD2 4.48Å; T547-W629 HydrophobicContact CG2-CE3 4.45Å; T547-W629 HydrophobicContact CG2-CH2 3.59Å; T547-W629 HydrophobicContact CG2-CZ2 3.6Å; T547-W629 HydrophobicContact CG2-CZ3 4.03Å |
| 548 | E | 91.9 | Very high | 91 | Very high | 59 Ų | 59 | 48.3 Ų | 48.3 | 28% | 0.276 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.7 | -43.4 | 176 | -68.8 | -70.7 | 173.2 | 0 | 0 | 112 | S544 A545 S550 I551 A552 W629 R630 | S544-E548 PolarHBondContact O-N 3.29Å; A545-E548 PolarHBondContact O-N 3.29Å; E548-S550 VanDerWaalsContact C-N 3.31Å; E548-S550 PolarHBondContact O-N 3.47Å; E548-I551 PolarHBondContact O-N 3.46Å; E548-A552 WeakPolarHBondContact O-CB 3.43Å; E548-A552 PolarHBondContact O-N 2.93Å; E548-W629 HydrophobicContact CG-CZ3 4.48Å; E548-R630 WeakPolarHBondContact OE1-CD 3.44Å; E548-R630 WeakPolarHBondContact OE1-CG 3.48Å; E548-R630 IonicContact OE1-CZ 3.29Å; E548-R630 IonicContact OE1-NE 3.72Å; E548-R630 PolarHBondContact OE1-NE 3.02Å; E548-R630 IonicContact OE1-NH2 2.75Å; E548-R630 IonicContact OE2-CZ 3.66Å; E548-R630 IonicContact OE2-NE 3.39Å; E548-R630 PolarHBondContact OE2-NE 2.67Å; E548-R630 IonicContact OE2-NH2 2.71Å; E548-R630 PolarHBondContact OE2-NH2 2.77Å |
| 549 | N | 92 | Very high | 91 | Very high | 87 Ų | 87 | 43.6 Ų | 43.6 | 47% | 0.465 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.7 | -37.6 | 173.9 | -72.2 | 0.2 | 0 | 0 | 0 | 112 | A545 T547 A552 A553 | A545-N549 PolarHBondContact O-N 2.94Å; T547-N549 VanDerWaalsContact C-N 3.35Å; T547-N549 PolarHBondContact O-N 3.46Å; N549-A552 PolarHBondContact O-N 2.82Å; N549-A553 WeakPolarHBondContact O-CB 3.5Å; N549-A553 PolarHBondContact O-N 2.89Å |
| 550 | S | 90.9 | Very high | 91 | Very high | 20 Ų | 20 | 43.7 Ų | 43.7 | 14% | 0.14 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -69.1 | -36.9 | 176.6 | -57.6 | 0 | 0 | 0 | 0 | 112.4 | R546 T547 E548 A553 I554 S555 | R546-S550 WeakPolarHBondContact O-CB 3.48Å; R546-S550 PolarHBondContact O-N 2.81Å; R546-S550 PolarHBondContact O-OG 2.89Å; T547-S550 WeakPolarHBondContact O-CB 3.48Å; T547-S550 PolarHBondContact O-N 3.46Å; T547-S550 VanDerWaalsContact O-N 3.1Å; E548-S550 VanDerWaalsContact C-N 3.31Å; E548-S550 PolarHBondContact O-N 3.47Å; S550-A553 CarbonylContact O-C 3.57Å; S550-A553 PolarHBondContact O-N 3.5Å; S550-I554 PolarHBondContact O-N 3.44Å; S550-I554 VanDerWaalsContact O-N 3.09Å; S550-S555 PolarHBondContact O-N 3.31Å |
| 551 | I | 89.4 | Confident | 90.8 | Very high | 11 Ų | 11 | 48.4 Ų | 48.4 | 6% | 0.056 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.4 | -46.5 | 171.7 | -67 | 165.1 | 0 | 0 | 0 | 109.9 | T547 E548 A553 I554 V559 L616 H626 W629 | T547-I551 HydrophobicContact CG2-CD1 4.21Å; T547-I551 WeakPolarHBondContact O-CG1 3.14Å; T547-I551 PolarHBondContact O-N 2.89Å; E548-I551 PolarHBondContact O-N 3.46Å; I551-A553 VanDerWaalsContact C-N 3.28Å; I551-A553 PolarHBondContact O-N 2.72Å; I551-I554 PolarHBondContact O-N 2.93Å; I551-I554 VanDerWaalsContact O-N 3.08Å; I551-V559 HydrophobicContact CG1-CG2 3.83Å; I551-L616 HydrophobicContact CD1-CD1 3.88Å; I551-L616 HydrophobicContact CD1-CD2 4.33Å; I551-L616 HydrophobicContact CG1-CD1 4.42Å; I551-H626 WeakPolarHBondContact CG2-NE2 3.25Å; I551-W629 HydrophobicContact CD1-CE3 4.31Å |
| 552 | A | 90.3 | Very high | 90.5 | Very high | 86 Ų | 86 | 44.2 Ų | 44.2 | 71% | 0.711 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -64 | -31.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | E548 N549 I554 | E548-A552 WeakPolarHBondContact O-CB 3.43Å; E548-A552 PolarHBondContact O-N 2.93Å; N549-A552 PolarHBondContact O-N 2.82Å; A552-I554 VanDerWaalsContact C-N 3.34Å |
| 553 | A | 90.9 | Very high | 90.5 | Very high | 73 Ų | 73 | 41 Ų | 41 | 60% | 0.603 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | 0.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | N549 S550 I551 S555 | N549-A553 WeakPolarHBondContact O-CB 3.5Å; N549-A553 PolarHBondContact O-N 2.89Å; S550-A553 CarbonylContact O-C 3.57Å; S550-A553 PolarHBondContact O-N 3.5Å; I551-A553 VanDerWaalsContact C-N 3.28Å; I551-A553 PolarHBondContact O-N 2.72Å; A553-S555 PolarHBondContact O-N 3.14Å |
| 554 | I | 88.6 | Confident | 90.5 | Very high | 103 Ų | 103 | 41.6 Ų | 41.6 | 53% | 0.528 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 31.9 | -176.5 | -37 | -176.2 | 0 | 0 | 0 | 112.1 | S550 I551 A552 T556 I620 | S550-I554 PolarHBondContact O-N 3.44Å; S550-I554 VanDerWaalsContact O-N 3.09Å; I551-I554 PolarHBondContact O-N 2.93Å; I551-I554 VanDerWaalsContact O-N 3.08Å; A552-I554 VanDerWaalsContact C-N 3.34Å; I554-T556 PolarHBondContact O-N 3.36Å; I554-I620 HydrophobicContact CG2-CD1 4.37Å; I554-I620 HydrophobicContact CG2-CG1 4.43Å; I554-I620 HydrophobicContact CG2-CG2 3.59Å |
| 555 | S | 89.3 | Confident | 90.3 | Very high | 42 Ų | 42 | 45.3 Ų | 45.3 | 29% | 0.294 | 27% | 0.265 | S | S | . | . | trans | -93.5 | 99.4 | -178.4 | -178.8 | 0 | 0 | 0 | 0 | 111.2 | S550 A553 T557 G558 V559 | S550-S555 PolarHBondContact O-N 3.31Å; A553-S555 PolarHBondContact O-N 3.14Å; S555-T557 PolarHBondContact OG-OG1 3.47Å; S555-G558 PolarHBondContact O-N 3.21Å; S555-G558 PolarHBondContact OG-N 3.23Å; S555-V559 WeakPolarHBondContact O-CG2 3.09Å; S555-V559 PolarHBondContact O-N 2.9Å; S555-V559 VanDerWaalsContact O-N 3.16Å | ||
| 556 | T | 89.5 | Confident | 90.3 | Very high | 56 Ų | 56 | 43.2 Ų | 43.2 | 34% | 0.344 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.2 | -40 | 177.4 | 49.9 | 0 | 0 | 0 | 0 | 112.4 | I554 V559 V560 I620 | I554-T556 PolarHBondContact O-N 3.36Å; T556-V559 PolarHBondContact O-N 3.34Å; T556-V560 WeakPolarHBondContact O-CG2 3.47Å; T556-V560 PolarHBondContact O-N 2.87Å; T556-V560 VanDerWaalsContact O-N 3.1Å; T556-I620 HydrophobicContact CG2-CD1 4.12Å |
| 557 | T | 88.7 | Confident | 90.3 | Very high | 68 Ų | 68 | 39.5 Ų | 39.5 | 42% | 0.417 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.2 | -44.6 | 176.2 | 51.2 | 0 | 0 | 0 | 0 | 111.8 | S555 V559 V560 E561 | S555-T557 PolarHBondContact OG-OG1 3.47Å; T557-V559 VanDerWaalsContact C-N 3.28Å; T557-V559 PolarHBondContact O-N 2.91Å; T557-V560 PolarHBondContact O-N 3.21Å; T557-E561 PolarHBondContact O-N 3.21Å |
| 558 | G | 88.6 | Confident | 90.2 | Very high | 13 Ų | 13 | 42.7 Ų | 42.7 | 13% | 0.134 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.4 | -35.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | S555 S562 | S555-G558 PolarHBondContact O-N 3.21Å; S555-G558 PolarHBondContact OG-N 3.23Å; G558-S562 VanDerWaalsContact O-CB 3.31Å; G558-S562 WeakPolarHBondContact O-CB 3.25Å; G558-S562 PolarHBondContact O-N 3.33Å; G558-S562 PolarHBondContact O-OG 3.1Å |
| 559 | V | 90.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.7 | -42.2 | 171.8 | 173.3 | 0 | 0 | 0 | 0 | 111.8 | T547 I551 S555 T556 T557 S562 T563 L616 V617 I620 | T547-V559 HydrophobicContact CG2-CG1 4.2Å; T547-V559 HydrophobicContact CG2-CG2 4.29Å; I551-V559 HydrophobicContact CG1-CG2 3.83Å; S555-V559 WeakPolarHBondContact O-CG2 3.09Å; S555-V559 PolarHBondContact O-N 2.9Å; S555-V559 VanDerWaalsContact O-N 3.16Å; T556-V559 PolarHBondContact O-N 3.34Å; T557-V559 VanDerWaalsContact C-N 3.28Å; T557-V559 PolarHBondContact O-N 2.91Å; V559-S562 PolarHBondContact O-OG 3.29Å; V559-T563 HydrophobicContact CG1-CG2 4.35Å; V559-T563 WeakPolarHBondContact O-CB 3.29Å; V559-T563 VanDerWaalsContact O-CG2 3.28Å; V559-T563 WeakPolarHBondContact O-CG2 3.13Å; V559-T563 PolarHBondContact O-N 3.26Å; V559-T563 VanDerWaalsContact O-N 3.08Å; V559-T563 PolarHBondContact O-OG1 3.21Å; V559-L616 HydrophobicContact CG1-CB 4.16Å; V559-L616 HydrophobicContact CG1-CD1 4.05Å; V559-V617 HydrophobicContact CB-CG2 4.35Å; V559-V617 HydrophobicContact CG1-CG2 4Å; V559-I620 HydrophobicContact CG2-CD1 4.38Å |
| 560 | V | 90.3 | Very high | 90.3 | Very high | 3 Ų | 3 | 36.4 Ų | 36.4 | 2% | 0.018 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.6 | -50.2 | 175.5 | 176.4 | 0 | 0 | 0 | 0 | 111.2 | T556 T557 S562 T563 T564 V617 M720 | T556-V560 WeakPolarHBondContact O-CG2 3.47Å; T556-V560 PolarHBondContact O-N 2.87Å; T556-V560 VanDerWaalsContact O-N 3.1Å; T557-V560 PolarHBondContact O-N 3.21Å; V560-S562 PolarHBondContact O-N 3.22Å; V560-T563 PolarHBondContact O-OG1 3.42Å; V560-T564 WeakPolarHBondContact O-CB 3.41Å; V560-T564 PolarHBondContact O-N 3.35Å; V560-T564 PolarHBondContact O-OG1 2.97Å; V560-V617 HydrophobicContact CG2-CG1 4.41Å; V560-V617 HydrophobicContact CG2-CG2 3.65Å; V560-M720 HydrophobicContact CG1-CG 4.05Å; V560-M720 HydrophobicContact CG1-SD 4.44Å; V560-M720 HydrophobicContact CG2-CE 3.71Å; V560-M720 HydrophobicContact CG2-SD 4.08Å |
| 561 | E | 87.6 | Confident | 90.3 | Very high | 99 Ų | 99 | 37.6 Ų | 37.6 | 46% | 0.463 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -60.1 | -49.6 | -178.2 | -73.5 | 179.7 | -138.8 | 0 | 0 | 112.2 | T557 T564 R565 | T557-E561 PolarHBondContact O-N 3.21Å; E561-T564 PolarHBondContact O-N 3.3Å; E561-R565 WeakPolarHBondContact O-CG 3.42Å; E561-R565 PolarHBondContact O-N 3.01Å; E561-R565 IonicContact OE2-NH2 3.25Å |
| 562 | S | 89.5 | Confident | 90.3 | Very high | 3 Ų | 3 | 37.9 Ų | 37.9 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.7 | -45.4 | -177.6 | 57.3 | 0 | 0 | 0 | 0 | 112.2 | T547 G558 V559 V560 T564 R565 I566 | T547-S562 WeakPolarHBondContact CA-OG 3.44Å; T547-S562 WeakPolarHBondContact CB-OG 3.09Å; T547-S562 VanDerWaalsContact OG1-CB 3.24Å; T547-S562 WeakPolarHBondContact OG1-CB 3.12Å; T547-S562 PolarHBondContact OG1-OG 3.06Å; G558-S562 VanDerWaalsContact O-CB 3.31Å; G558-S562 WeakPolarHBondContact O-CB 3.25Å; G558-S562 PolarHBondContact O-N 3.33Å; G558-S562 PolarHBondContact O-OG 3.1Å; V559-S562 PolarHBondContact O-OG 3.29Å; V560-S562 PolarHBondContact O-N 3.22Å; S562-T564 VanDerWaalsContact C-N 3.33Å; S562-T564 PolarHBondContact O-N 3.16Å; S562-R565 WeakPolarHBondContact O-CB 3.35Å; S562-R565 PolarHBondContact O-N 3.08Å; S562-I566 WeakPolarHBondContact O-CG1 3.34Å; S562-I566 PolarHBondContact O-N 3.32Å |
| 563 | T | 91.6 | Very high | 90.4 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.012 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.4 | -32.1 | 177.8 | 58.8 | 0 | 0 | 0 | 0 | 112.6 | T547 V559 V560 I566 A567 M609 A613 W629 | T547-T563 HydrophobicContact CG2-CG2 3.79Å; V559-T563 HydrophobicContact CG1-CG2 4.35Å; V559-T563 WeakPolarHBondContact O-CB 3.29Å; V559-T563 VanDerWaalsContact O-CG2 3.28Å; V559-T563 WeakPolarHBondContact O-CG2 3.13Å; V559-T563 PolarHBondContact O-N 3.26Å; V559-T563 VanDerWaalsContact O-N 3.08Å; V559-T563 PolarHBondContact O-OG1 3.21Å; V560-T563 PolarHBondContact O-OG1 3.42Å; T563-I566 PolarHBondContact O-N 3.04Å; T563-A567 WeakPolarHBondContact O-CB 3.26Å; T563-A567 PolarHBondContact O-N 3.33Å; T563-M609 HydrophobicContact CG2-SD 4.3Å; T563-A613 HydrophobicContact CG2-CB 3.78Å; T563-W629 HydrophobicContact CG2-CZ2 4.01Å |
| 564 | T | 90.5 | Very high | 90.3 | Very high | 14 Ų | 14 | 31.3 Ų | 31.3 | 9% | 0.086 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -70.7 | -31.2 | 172.7 | -54.2 | 0 | 0 | 0 | 0 | 112 | V560 E561 S562 R568 I723 | V560-T564 WeakPolarHBondContact O-CB 3.41Å; V560-T564 PolarHBondContact O-N 3.35Å; V560-T564 PolarHBondContact O-OG1 2.97Å; E561-T564 PolarHBondContact O-N 3.3Å; S562-T564 VanDerWaalsContact C-N 3.33Å; S562-T564 PolarHBondContact O-N 3.16Å; T564-R568 WeakPolarHBondContact O-CG 3.3Å; T564-R568 PolarHBondContact O-N 2.88Å; T564-R568 VanDerWaalsContact O-N 3.08Å; T564-R568 PolarHBondContact O-NE 2.93Å; T564-R568 VanDerWaalsContact O-NE 3.14Å; T564-I723 HydrophobicContact CG2-CD1 4.03Å; T564-I723 HydrophobicContact CG2-CG1 4.5Å |
| 565 | R | 90.5 | Very high | 90.3 | Very high | 90 Ų | 90 | 29.9 Ų | 29.9 | 34% | 0.34 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -64.5 | -49.7 | 167.2 | -73 | 175.6 | -174.2 | 156.3 | 10.3 | 111.2 | D543 E561 S562 A567 R568 R569 | D543-R565 HydrophobicContact CB-CB 4.32Å; E561-R565 WeakPolarHBondContact O-CG 3.42Å; E561-R565 PolarHBondContact O-N 3.01Å; E561-R565 IonicContact OE2-NH2 3.25Å; S562-R565 WeakPolarHBondContact O-CB 3.35Å; S562-R565 PolarHBondContact O-N 3.08Å; R565-A567 VanDerWaalsContact C-N 3.29Å; R565-A567 PolarHBondContact O-N 3.34Å; R565-R568 PolarHBondContact O-N 3.44Å; R565-R568 VanDerWaalsContact O-N 3.11Å; R565-R569 WeakPolarHBondContact O-CG 3.46Å; R565-R569 PolarHBondContact O-N 3.06Å |
| 566 | I | 92.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -54.9 | -44.6 | 176.4 | -62.4 | 167.6 | 0 | 0 | 0 | 111.1 | M540 D543 S562 T563 R569 A570 M609 W629 L636 | M540-I566 HydrophobicContact CE-CG2 3.86Å; M540-I566 HydrophobicContact CG-CG2 4.38Å; D543-I566 HydrophobicContact CB-CG1 3.86Å; S562-I566 WeakPolarHBondContact O-CG1 3.34Å; S562-I566 PolarHBondContact O-N 3.32Å; T563-I566 PolarHBondContact O-N 3.04Å; I566-R569 PolarHBondContact O-N 3.4Å; I566-A570 WeakPolarHBondContact O-CB 3.28Å; I566-A570 PolarHBondContact O-N 3.41Å; I566-M609 HydrophobicContact CB-CE 4.12Å; I566-M609 HydrophobicContact CG2-CE 3.79Å; I566-W629 HydrophobicContact CD1-CZ2 4.09Å; I566-L636 HydrophobicContact CG2-CD2 3.75Å |
| 567 | A | 91.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.9 | -42.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | T563 R565 A570 N571 I606 M609 V610 I723 | T563-A567 WeakPolarHBondContact O-CB 3.26Å; T563-A567 PolarHBondContact O-N 3.33Å; R565-A567 VanDerWaalsContact C-N 3.29Å; R565-A567 PolarHBondContact O-N 3.34Å; A567-A570 PolarHBondContact O-N 3Å; A567-N571 WeakPolarHBondContact O-CB 3.23Å; A567-N571 PolarHBondContact O-N 3.21Å; A567-N571 PolarHBondContact O-ND2 3.1Å; A567-I606 HydrophobicContact CB-CG2 4.44Å; A567-M609 HydrophobicContact CB-CE 4.12Å; A567-V610 HydrophobicContact CB-CG2 4Å; A567-I723 HydrophobicContact CB-CD1 4.32Å; A567-I723 HydrophobicContact CB-CG2 4.11Å |
| 568 | R | 90.7 | Very high | 90.2 | Very high | 68 Ų | 68 | 24.4 Ų | 24.4 | 26% | 0.257 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -65.2 | -41.5 | 176.1 | -77.6 | 177.8 | -75.8 | -154.7 | 2.5 | 112.5 | T398 D399 T564 R565 N571 R572 | T398-R568 HydrophobicContact CG2-CB 3.69Å; D399-R568 VanDerWaalsContact OD1-CD 3.27Å; D399-R568 WeakPolarHBondContact OD1-CD 3.36Å; D399-R568 IonicContact OD1-CZ 3.77Å; D399-R568 IonicContact OD1-NE 2.69Å; D399-R568 IonicContact OD1-NH1 2.36Å; D399-R568 PolarHBondContact OD1-NH1 2.64Å; D399-R568 IonicContact OD2-CZ 2.75Å; D399-R568 IonicContact OD2-NH1 2.67Å; D399-R568 PolarHBondContact OD2-NH1 3.46Å; T564-R568 WeakPolarHBondContact O-CG 3.3Å; T564-R568 PolarHBondContact O-N 2.88Å; T564-R568 VanDerWaalsContact O-N 3.08Å; T564-R568 PolarHBondContact O-NE 2.93Å; T564-R568 VanDerWaalsContact O-NE 3.14Å; R565-R568 PolarHBondContact O-N 3.44Å; R565-R568 VanDerWaalsContact O-N 3.11Å; R568-N571 PolarHBondContact O-N 2.95Å; R568-R572 PolarHBondContact O-N 3.34Å |
| 569 | R | 92.5 | Very high | 90.1 | Very high | 13 Ų | 13 | 27 Ų | 27 | 5% | 0.049 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.2 | -47.6 | 174.1 | -65.8 | -171.9 | -180 | -72.8 | 1.9 | 112.1 | A394 T398 M540 D543 R565 I566 N571 R572 V573 | A394-R569 PolarHBondContact O-NH1 2.84Å; T398-R569 HydrophobicContact CG2-CG 3.92Å; T398-R569 PolarHBondContact OG1-NH1 3.4Å; M540-R569 HydrophobicContact CG-CB 3.53Å; M540-R569 HydrophobicContact CG-CG 4.25Å; M540-R569 HydrophobicContact SD-CB 3.99Å; D543-R569 IonicContact OD2-CZ 2.76Å; D543-R569 IonicContact OD2-NE 2.64Å; D543-R569 PolarHBondContact OD2-NE 2.92Å; D543-R569 IonicContact OD2-NH2 3.7Å; D543-R569 PolarHBondContact OD2-NH2 2.68Å; R565-R569 WeakPolarHBondContact O-CG 3.46Å; R565-R569 PolarHBondContact O-N 3.06Å; I566-R569 PolarHBondContact O-N 3.4Å; R569-N571 VanDerWaalsContact C-N 3.29Å; R569-N571 PolarHBondContact O-N 3.28Å; R569-R572 PolarHBondContact O-N 3.43Å; R569-R572 VanDerWaalsContact O-N 3.14Å; R569-V573 PolarHBondContact O-N 2.94Å |
| 570 | A | 92.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.7 | -38.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | M540 I566 A567 V573 L574 L600 I606 L636 | M540-A570 HydrophobicContact CE-CB 3.99Å; M540-A570 HydrophobicContact SD-CB 4.4Å; I566-A570 WeakPolarHBondContact O-CB 3.28Å; I566-A570 PolarHBondContact O-N 3.41Å; A567-A570 PolarHBondContact O-N 3Å; A570-V573 PolarHBondContact O-N 3.18Å; A570-L574 WeakPolarHBondContact O-CB 3.38Å; A570-L574 PolarHBondContact O-N 2.85Å; A570-L600 HydrophobicContact CB-CD1 4.41Å; A570-I606 HydrophobicContact CB-CD1 3.71Å; A570-I606 HydrophobicContact CB-CG1 3.88Å; A570-L636 HydrophobicContact CB-CD1 4.07Å; A570-L636 HydrophobicContact CB-CD2 4.47Å |
| 571 | N | 90.9 | Very high | 89.7 | Confident | 45 Ų | 45 | 27.8 Ų | 27.8 | 24% | 0.241 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -68.5 | -34.9 | 174.4 | -77.9 | -27.2 | 0 | 0 | 0 | 113.3 | A567 R568 R569 L574 Q575 I606 | A567-N571 WeakPolarHBondContact O-CB 3.23Å; A567-N571 PolarHBondContact O-N 3.21Å; A567-N571 PolarHBondContact O-ND2 3.1Å; R568-N571 PolarHBondContact O-N 2.95Å; R569-N571 VanDerWaalsContact C-N 3.29Å; R569-N571 PolarHBondContact O-N 3.28Å; N571-L574 PolarHBondContact O-N 3.09Å; N571-Q575 WeakPolarHBondContact O-CG 3.16Å; N571-Q575 PolarHBondContact O-N 3.01Å; N571-I606 WeakPolarHBondContact OD1-CD1 3.39Å |
| 572 | R | 90.7 | Very high | 89.8 | Confident | 18 Ų | 18 | 28.3 Ų | 28.3 | 7% | 0.068 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.7 | -43.6 | 171.6 | -70.1 | -120.4 | 59.1 | 60.3 | 3.4 | 111.4 | Y397 D524 F532 R568 R569 L574 Q575 L576 | Y397-R572 WeakPolarHBondContact O-CD 3.24Å; D524-R572 IonicContact OD2-CZ 2.74Å; D524-R572 IonicContact OD2-NE 3.86Å; D524-R572 IonicContact OD2-NH2 3.59Å; D524-R572 PolarHBondContact OD2-NH2 3.3Å; F532-R572 HydrophobicContact CE1-CB 4.29Å; F532-R572 HydrophobicContact CZ-CB 4.25Å; R568-R572 PolarHBondContact O-N 3.34Å; R569-R572 PolarHBondContact O-N 3.43Å; R569-R572 VanDerWaalsContact O-N 3.14Å; R572-L574 VanDerWaalsContact C-N 3.35Å; R572-L574 PolarHBondContact O-N 3.42Å; R572-Q575 VanDerWaalsContact CZ-OE1 3.3Å; R572-Q575 VanDerWaalsContact NH2-OE1 3.07Å; R572-Q575 PolarHBondContact O-N 2.86Å; R572-L576 PolarHBondContact O-N 3.45Å |
| 573 | V | 91.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.6 | -42.5 | 173.6 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | I533 Q536 R569 A570 Q575 L576 I577 L600 I640 I643 | I533-V573 HydrophobicContact CG1-CG1 4.23Å; I533-V573 HydrophobicContact CG1-CG2 4.45Å; Q536-V573 HydrophobicContact CB-CG2 3.57Å; Q536-V573 HydrophobicContact CG-CG2 3.88Å; R569-V573 PolarHBondContact O-N 2.94Å; A570-V573 PolarHBondContact O-N 3.18Å; V573-Q575 PolarHBondContact O-N 3.08Å; V573-L576 PolarHBondContact O-N 2.81Å; V573-I577 HydrophobicContact CG1-CD1 3.88Å; V573-I577 HydrophobicContact CG1-CG1 4.33Å; V573-I577 WeakPolarHBondContact O-CD1 3.34Å; V573-I577 VanDerWaalsContact O-CG1 3.24Å; V573-I577 WeakPolarHBondContact O-CG1 3.41Å; V573-I577 PolarHBondContact O-N 2.84Å; V573-L600 HydrophobicContact CB-CD2 4.5Å; V573-L600 HydrophobicContact CG1-CD2 4.14Å; V573-I640 HydrophobicContact CB-CD1 4.05Å; V573-I640 HydrophobicContact CG1-CD1 3.71Å; V573-I640 HydrophobicContact CG2-CD1 4.36Å; V573-I643 HydrophobicContact CG1-CD1 4.45Å; V573-I643 HydrophobicContact CG1-CG2 4.31Å |
| 574 | L | 90.1 | Very high | 89.5 | Confident | 21 Ų | 21 | 29.5 Ų | 29.5 | 11% | 0.11 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.7 | -41.4 | 175.7 | 179.1 | 59.7 | 0 | 0 | 0 | 113.2 | A570 N571 R572 T578 V597 L600 R601 | A570-L574 WeakPolarHBondContact O-CB 3.38Å; A570-L574 PolarHBondContact O-N 2.85Å; N571-L574 PolarHBondContact O-N 3.09Å; R572-L574 VanDerWaalsContact C-N 3.35Å; R572-L574 PolarHBondContact O-N 3.42Å; L574-T578 PolarHBondContact O-N 3.17Å; L574-T578 PolarHBondContact O-OG1 2.98Å; L574-V597 HydrophobicContact CD1-CG1 4.02Å; L574-V597 HydrophobicContact CD1-CG2 4.42Å; L574-L600 HydrophobicContact CB-CD2 3.79Å; L574-L600 HydrophobicContact CB-CG 4.42Å; L574-L600 HydrophobicContact CD1-CD2 4.36Å; L574-R601 HydrophobicContact CD1-CG 3.81Å; L574-R601 HydrophobicContact CD2-CG 3.98Å |
| 575 | Q | 87.1 | Confident | 89.4 | Confident | 73 Ų | 73 | 31.6 Ų | 31.6 | 34% | 0.341 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -63.7 | -45.3 | 175.6 | -73.8 | 177.4 | 12.5 | 0 | 0 | 111.2 | N571 R572 V573 T578 R579 | N571-Q575 WeakPolarHBondContact O-CG 3.16Å; N571-Q575 PolarHBondContact O-N 3.01Å; R572-Q575 VanDerWaalsContact CZ-OE1 3.3Å; R572-Q575 VanDerWaalsContact NH2-OE1 3.07Å; R572-Q575 PolarHBondContact O-N 2.86Å; V573-Q575 PolarHBondContact O-N 3.08Å; Q575-T578 PolarHBondContact O-N 3.01Å; Q575-R579 PolarHBondContact O-N 3.2Å |
| 576 | L | 88.6 | Confident | 89.2 | Confident | 14 Ų | 14 | 29 Ų | 29 | 7% | 0.073 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.5 | -51.7 | 177.4 | 177.6 | 60.1 | 0 | 0 | 0 | 112.1 | A529 F532 I533 R572 V573 T578 R579 E580 | A529-L576 HydrophobicContact CB-CD1 4.37Å; A529-L576 HydrophobicContact CB-CD2 4.2Å; F532-L576 HydrophobicContact CB-CD2 4.18Å; F532-L576 HydrophobicContact CD1-CD2 3.53Å; F532-L576 HydrophobicContact CE1-CD2 4.2Å; F532-L576 HydrophobicContact CG-CD2 4.11Å; I533-L576 HydrophobicContact CD1-CD2 3.98Å; I533-L576 HydrophobicContact CG1-CD2 3.81Å; R572-L576 PolarHBondContact O-N 3.45Å; V573-L576 PolarHBondContact O-N 2.81Å; L576-T578 VanDerWaalsContact C-N 3.26Å; L576-T578 PolarHBondContact O-N 2.86Å; L576-R579 VanDerWaalsContact CD1-NH2 3.31Å; L576-R579 WeakPolarHBondContact O-CB 3.26Å; L576-R579 PolarHBondContact O-N 3.19Å; L576-R579 VanDerWaalsContact O-N 3.11Å; L576-E580 HydrophobicContact CD1-CG 4.01Å; L576-E580 HydrophobicContact CG-CG 4.41Å; L576-E580 WeakPolarHBondContact O-CG 3.09Å; L576-E580 PolarHBondContact O-N 2.67Å |
| 577 | I | 88.5 | Confident | 88.9 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61 | -38.2 | -178.9 | -49.9 | 148 | 0 | 0 | 0 | 111.1 | V573 E580 A581 M593 V597 L600 I643 I647 | V573-I577 HydrophobicContact CG1-CD1 3.88Å; V573-I577 HydrophobicContact CG1-CG1 4.33Å; V573-I577 WeakPolarHBondContact O-CD1 3.34Å; V573-I577 VanDerWaalsContact O-CG1 3.24Å; V573-I577 WeakPolarHBondContact O-CG1 3.41Å; V573-I577 PolarHBondContact O-N 2.84Å; I577-E580 PolarHBondContact O-N 2.36Å; I577-A581 WeakPolarHBondContact O-CB 3.49Å; I577-A581 PolarHBondContact O-N 3.45Å; I577-M593 HydrophobicContact CG2-CB 4.21Å; I577-M593 HydrophobicContact CG2-CE 4.27Å; I577-M593 HydrophobicContact CG2-CG 4.22Å; I577-M593 HydrophobicContact CG2-SD 4.33Å; I577-V597 HydrophobicContact CB-CG2 3.93Å; I577-V597 HydrophobicContact CG2-CG2 3.56Å; I577-L600 HydrophobicContact CD1-CD2 4.03Å; I577-I643 HydrophobicContact CD1-CB 4.29Å; I577-I643 HydrophobicContact CD1-CD1 3.46Å; I577-I643 VanDerWaalsContact CD1-CD1 3.46Å; I577-I643 HydrophobicContact CD1-CG1 3.72Å; I577-I643 HydrophobicContact CD1-CG2 3.59Å; I577-I643 HydrophobicContact CG1-CG2 3.68Å; I577-I647 HydrophobicContact CG1-CD1 4.14Å |
| 578 | T | 89.2 | Confident | 88.6 | Confident | 36 Ų | 36 | 38.2 Ų | 38.2 | 22% | 0.221 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.2 | -47.9 | 177 | -50.9 | 0 | 0 | 0 | 0 | 109.8 | L574 Q575 L576 E580 A581 D582 | L574-T578 PolarHBondContact O-N 3.17Å; L574-T578 PolarHBondContact O-OG1 2.98Å; Q575-T578 PolarHBondContact O-N 3.01Å; L576-T578 VanDerWaalsContact C-N 3.26Å; L576-T578 PolarHBondContact O-N 2.86Å; T578-E580 VanDerWaalsContact C-N 3.3Å; T578-E580 PolarHBondContact O-N 3.14Å; T578-A581 PolarHBondContact O-N 3.02Å; T578-A581 VanDerWaalsContact O-N 3.08Å; T578-D582 VanDerWaalsContact O-CG 3.26Å; T578-D582 PolarHBondContact O-N 3Å |
| 579 | R | 86 | Confident | 88.4 | Confident | 67 Ų | 67 | 37.3 Ų | 37.3 | 25% | 0.253 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -59.5 | -34.5 | 175.1 | -167.4 | -173.3 | 70.1 | 174.9 | -2.8 | 113.6 | D524 Q575 L576 N583 R1002 | D524-R579 PolarHBondContact O-NH1 2.93Å; D524-R579 PolarHBondContact O-NH2 3.35Å; Q575-R579 PolarHBondContact O-N 3.2Å; L576-R579 VanDerWaalsContact CD1-NH2 3.31Å; L576-R579 WeakPolarHBondContact O-CB 3.26Å; L576-R579 PolarHBondContact O-N 3.19Å; L576-R579 VanDerWaalsContact O-N 3.11Å; R579-N583 WeakPolarHBondContact O-CB 3.27Å; R579-R1002 PolarHBondContact O-NH2 2.98Å |
| 580 | E | 85.5 | Confident | 88.2 | Confident | 14 Ų | 14 | 38.1 Ų | 38.1 | 7% | 0.065 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -79.1 | -25.5 | 175.7 | -59.4 | -43.7 | 117.9 | 0 | 0 | 113.2 | A529 L576 I577 T578 M593 R1002 | A529-E580 HydrophobicContact CB-CG 4.47Å; L576-E580 HydrophobicContact CD1-CG 4.01Å; L576-E580 HydrophobicContact CG-CG 4.41Å; L576-E580 WeakPolarHBondContact O-CG 3.09Å; L576-E580 PolarHBondContact O-N 2.67Å; I577-E580 PolarHBondContact O-N 2.36Å; T578-E580 VanDerWaalsContact C-N 3.3Å; T578-E580 PolarHBondContact O-N 3.14Å; E580-M593 HydrophobicContact CB-CE 3.57Å; E580-M593 HydrophobicContact CB-SD 4.06Å; E580-R1002 VanDerWaalsContact CD-NH1 3.29Å; E580-R1002 VanDerWaalsContact CD-NH2 3.27Å; E580-R1002 IonicContact OE1-CZ 2.7Å; E580-R1002 IonicContact OE1-NH1 2.7Å; E580-R1002 PolarHBondContact OE1-NH1 3.11Å; E580-R1002 IonicContact OE1-NH2 3.78Å; E580-R1002 PolarHBondContact OE1-NH2 3.05Å; E580-R1002 IonicContact OE2-CZ 2.62Å; E580-R1002 VanDerWaalsContact OE2-CZ 3.31Å; E580-R1002 IonicContact OE2-NH1 3.91Å; E580-R1002 PolarHBondContact OE2-NH1 3.35Å; E580-R1002 IonicContact OE2-NH2 3.57Å; E580-R1002 PolarHBondContact OE2-NH2 2.71Å |
| 581 | A | 87.8 | Confident | 87.9 | Confident | 5 Ų | 5 | 43 Ų | 43 | 4% | 0.041 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -76.5 | -49.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | I577 T578 N583 S584 M593 | I577-A581 WeakPolarHBondContact O-CB 3.49Å; I577-A581 PolarHBondContact O-N 3.45Å; T578-A581 PolarHBondContact O-N 3.02Å; T578-A581 VanDerWaalsContact O-N 3.08Å; A581-N583 PolarHBondContact O-N 3.13Å; A581-N583 VanDerWaalsContact O-N 3.12Å; A581-S584 PolarHBondContact O-N 2.75Å; A581-S584 VanDerWaalsContact O-N 3.07Å; A581-M593 VanDerWaalsContact CA-SD 3.56Å; A581-M593 HydrophobicContact CB-CB 3.9Å; A581-M593 HydrophobicContact CB-SD 3.76Å; A581-M593 PolarHBondContact N-SD 2.89Å |
| 582 | D | 89.1 | Confident | 87.8 | Confident | 111 Ų | 111 | 45.8 Ų | 45.8 | 59% | 0.594 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -58.1 | -27.7 | 176.8 | -61.5 | -30.4 | 0 | 0 | 0 | 111.8 | T578 R1001 | T578-D582 VanDerWaalsContact O-CG 3.26Å; T578-D582 PolarHBondContact O-N 3Å; D582-R1001 PolarHBondContact O-NE 3.11Å |
| 583 | N | 86.9 | Confident | 87.5 | Confident | 14 Ų | 14 | 44.9 Ų | 44.9 | 8% | 0.075 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -19.6 | 179.9 | -173.9 | 61.3 | 0 | 0 | 0 | 115.4 | R579 A581 D1000 R1001 R1002 | R579-N583 WeakPolarHBondContact O-CB 3.27Å; A581-N583 PolarHBondContact O-N 3.13Å; A581-N583 VanDerWaalsContact O-N 3.12Å; N583-D1000 PolarHBondContact ND2-OD1 3.18Å; N583-D1000 PolarHBondContact ND2-OD2 2.78Å; N583-R1001 WeakPolarHBondContact O-CG 3.48Å; N583-R1001 PolarHBondContact O-N 3.15Å; N583-R1001 VanDerWaalsContact O-N 3.08Å; N583-R1002 WeakPolarHBondContact ND2-CD 3.43Å; N583-R1002 WeakPolarHBondContact ND2-CG 3.47Å; N583-R1002 PolarHBondContact ND2-NE 3.16Å; N583-R1002 WeakPolarHBondContact OD1-CG 3.38Å; N583-R1002 PolarHBondContact OD1-NE 3.05Å |
| 584 | S | 87.5 | Confident | 87.4 | Confident | 16 Ų | 16 | 47.5 Ų | 47.5 | 11% | 0.112 | 24% | 0.242 | C | C | . | . | B | Isolated β-bridge | trans | -102.6 | 144.3 | -174.5 | -171.3 | 0 | 0 | 0 | 0 | 112.4 | A581 D586 V590 T999 | A581-S584 PolarHBondContact O-N 2.75Å; A581-S584 VanDerWaalsContact O-N 3.07Å; S584-D586 PolarHBondContact OG-N 3.29Å; S584-V590 WeakPolarHBondContact O-CG2 3.5Å; S584-T999 CarbonylContact C-O 3.58Å |
| 585 | E | 88.1 | Confident | 87.3 | Confident | 57 Ų | 57 | 51.3 Ų | 51.3 | 27% | 0.266 | 26% | 0.259 | S | S | . | . | trans | -110.8 | 10.6 | 170.7 | -63.1 | -178.6 | 175.5 | 0 | 0 | 112.7 | P587 T999 R1001 R1004 R1088 | E585-P587 WeakPolarHBondContact O-CD 3.39Å; E585-T999 WeakPolarHBondContact CB-O 3.44Å; E585-T999 PolarHBondContact N-O 3.07Å; E585-R1001 IonicContact OE1-CZ 2.91Å; E585-R1001 IonicContact OE1-NH1 2.69Å; E585-R1001 PolarHBondContact OE1-NH1 3.28Å; E585-R1001 IonicContact OE1-NH2 3.73Å; E585-R1004 IonicContact OE1-CZ 3Å; E585-R1004 IonicContact OE1-NH1 3.06Å; E585-R1004 PolarHBondContact OE1-NH1 3.16Å; E585-R1004 IonicContact OE1-NH2 3.34Å; E585-R1004 PolarHBondContact OE1-NH2 3.28Å; E585-R1004 IonicContact OE2-CZ 2.72Å; E585-R1004 IonicContact OE2-NH1 2.7Å; E585-R1004 PolarHBondContact OE2-NH1 2.96Å; E585-R1004 IonicContact OE2-NH2 3.72Å; E585-R1088 IonicContact OE2-CZ 3.83Å; E585-R1088 IonicContact OE2-NH2 2.72Å; E585-R1088 PolarHBondContact OE2-NH2 3.38Å | ||
| 586 | D | 86.9 | Confident | 87.2 | Confident | 36 Ų | 36 | 48.5 Ų | 48.5 | 19% | 0.193 | 25% | 0.248 | C | C | . | . | trans | -81.7 | 111.5 | 166.1 | 170.2 | 23.4 | 0 | 0 | 0 | 109.6 | S584 L588 Y589 V590 T999 | S584-D586 PolarHBondContact OG-N 3.29Å; D586-L588 PolarHBondContact O-N 3.35Å; D586-L588 PolarHBondContact OD1-N 2.9Å; D586-Y589 PolarHBondContact O-N 2.71Å; D586-Y589 WeakPolarHBondContact OD2-CB 3.33Å; D586-Y589 PolarHBondContact OD2-N 3.15Å; D586-Y589 VanDerWaalsContact OD2-N 3.11Å; D586-V590 WeakPolarHBondContact O-CB 3.38Å; D586-V590 VanDerWaalsContact O-CG2 3.28Å; D586-V590 WeakPolarHBondContact O-CG2 3.24Å; D586-V590 PolarHBondContact O-N 3.06Å; D586-T999 HydrophobicContact CB-CG2 4.2Å | ||
| 587 | P | 85.6 | Confident | 87 | Confident | 86 Ų | 86 | 47.9 Ų | 47.9 | 56% | 0.558 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -58 | -36.1 | -179.7 | -22.6 | 34.6 | 0 | 0 | 0 | 112.7 | E585 V590 D591 | E585-P587 WeakPolarHBondContact O-CD 3.39Å; P587-V590 PolarHBondContact O-N 2.9Å; P587-D591 WeakPolarHBondContact O-CB 3.19Å; P587-D591 PolarHBondContact O-N 2.86Å |
| 588 | L | 85.9 | Confident | 86.9 | Confident | 108 Ų | 108 | 52.2 Ų | 52.2 | 57% | 0.565 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -70.9 | -36.7 | -176.5 | -61.8 | 177.7 | 0 | 0 | 0 | 111.7 | D586 R592 | D586-L588 PolarHBondContact O-N 3.35Å; D586-L588 PolarHBondContact OD1-N 2.9Å; L588-R592 VanDerWaalsContact C-NH1 3.28Å; L588-R592 VanDerWaalsContact O-CG 3.31Å; L588-R592 WeakPolarHBondContact O-CG 3.38Å; L588-R592 VanDerWaalsContact O-CZ 3.3Å; L588-R592 PolarHBondContact O-N 2.89Å; L588-R592 PolarHBondContact O-NH1 3.3Å |
| 589 | Y | 85.7 | Confident | 86.6 | Confident | 48 Ų | 48 | 52 Ų | 52 | 19% | 0.188 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -70.7 | -46 | 172.4 | -176.6 | -99.7 | 0 | 0 | 0 | 111.6 | D586 D591 R592 M593 | D586-Y589 PolarHBondContact O-N 2.71Å; D586-Y589 WeakPolarHBondContact OD2-CB 3.33Å; D586-Y589 PolarHBondContact OD2-N 3.15Å; D586-Y589 VanDerWaalsContact OD2-N 3.11Å; Y589-D591 VanDerWaalsContact C-N 3.35Å; Y589-D591 PolarHBondContact O-N 3.21Å; Y589-R592 PolarHBondContact O-N 3.04Å; Y589-M593 HydrophobicContact CD1-CE 4.45Å; Y589-M593 HydrophobicContact CD1-CG 4.31Å; Y589-M593 HydrophobicContact CD1-SD 3.84Å; Y589-M593 HydrophobicContact CE1-CE 3.51Å; Y589-M593 HydrophobicContact CE1-CG 4.21Å; Y589-M593 HydrophobicContact CE1-SD 3.32Å; Y589-M593 WeakPolarHBondContact CE1-SD 3.33Å; Y589-M593 HydrophobicContact CE2-CE 4.17Å; Y589-M593 WeakPolarHBondContact O-CB 3.47Å; Y589-M593 WeakPolarHBondContact O-CG 3.35Å; Y589-M593 PolarHBondContact O-N 3.43Å; Y589-M593 WeakPolarHBondContact OH-CE 3.5Å |
| 590 | V | 87.8 | Confident | 86.4 | Confident | 31 Ų | 31 | 48.8 Ų | 48.8 | 19% | 0.188 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.6 | -39.6 | 178.9 | 171.9 | 0 | 0 | 0 | 0 | 111.7 | S584 D586 P587 M593 N594 | S584-V590 WeakPolarHBondContact O-CG2 3.5Å; D586-V590 WeakPolarHBondContact O-CB 3.38Å; D586-V590 VanDerWaalsContact O-CG2 3.28Å; D586-V590 WeakPolarHBondContact O-CG2 3.24Å; D586-V590 PolarHBondContact O-N 3.06Å; P587-V590 PolarHBondContact O-N 2.9Å; V590-M593 PolarHBondContact O-N 2.91Å; V590-N594 VanDerWaalsContact CG1-ND2 3.35Å; V590-N594 WeakPolarHBondContact CG1-ND2 3.27Å; V590-N594 VanDerWaalsContact O-CB 3.3Å; V590-N594 WeakPolarHBondContact O-CB 3.36Å; V590-N594 PolarHBondContact O-N 3.2Å; V590-N594 PolarHBondContact O-ND2 2.85Å |
| 591 | D | 87.7 | Confident | 86.1 | Confident | 102 Ų | 102 | 53.6 Ų | 53.6 | 55% | 0.545 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66.9 | -45.6 | 175.2 | -81.2 | -23.9 | 0 | 0 | 0 | 112.1 | P587 Y589 M593 N594 E595 | P587-D591 WeakPolarHBondContact O-CB 3.19Å; P587-D591 PolarHBondContact O-N 2.86Å; Y589-D591 VanDerWaalsContact C-N 3.35Å; Y589-D591 PolarHBondContact O-N 3.21Å; D591-M593 VanDerWaalsContact C-N 3.31Å; D591-M593 PolarHBondContact O-N 3.02Å; D591-N594 PolarHBondContact O-N 3.41Å; D591-E595 PolarHBondContact O-N 3.14Å |
| 592 | R | 87 | Confident | 84.9 | Confident | 103 Ų | 103 | 55.1 Ų | 55.1 | 39% | 0.389 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.4 | -42.6 | 175.2 | -73.5 | -172 | -53.9 | -89.4 | 6 | 111.5 | L588 Y589 A596 V646 | L588-R592 VanDerWaalsContact C-NH1 3.28Å; L588-R592 VanDerWaalsContact O-CG 3.31Å; L588-R592 WeakPolarHBondContact O-CG 3.38Å; L588-R592 VanDerWaalsContact O-CZ 3.3Å; L588-R592 PolarHBondContact O-N 2.89Å; L588-R592 PolarHBondContact O-NH1 3.3Å; Y589-R592 PolarHBondContact O-N 3.04Å; R592-A596 WeakPolarHBondContact O-CB 3.36Å; R592-A596 PolarHBondContact O-N 3.41Å; R592-A596 VanDerWaalsContact O-N 3.08Å; R592-V646 HydrophobicContact CB-CG1 3.81Å; R592-V646 HydrophobicContact CB-CG2 4.43Å |
| 593 | M | 86.1 | Confident | 83.5 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.7 | -44.1 | 174.6 | -76.6 | -165 | 148.1 | 0 | 0 | 112.3 | I577 E580 A581 Y589 V590 D591 E595 A596 V597 V646 I647 | I577-M593 HydrophobicContact CG2-CB 4.21Å; I577-M593 HydrophobicContact CG2-CE 4.27Å; I577-M593 HydrophobicContact CG2-CG 4.22Å; I577-M593 HydrophobicContact CG2-SD 4.33Å; E580-M593 HydrophobicContact CB-CE 3.57Å; E580-M593 HydrophobicContact CB-SD 4.06Å; A581-M593 VanDerWaalsContact CA-SD 3.56Å; A581-M593 HydrophobicContact CB-CB 3.9Å; A581-M593 HydrophobicContact CB-SD 3.76Å; A581-M593 PolarHBondContact N-SD 2.89Å; Y589-M593 HydrophobicContact CD1-CE 4.45Å; Y589-M593 HydrophobicContact CD1-CG 4.31Å; Y589-M593 HydrophobicContact CD1-SD 3.84Å; Y589-M593 HydrophobicContact CE1-CE 3.51Å; Y589-M593 HydrophobicContact CE1-CG 4.21Å; Y589-M593 HydrophobicContact CE1-SD 3.32Å; Y589-M593 WeakPolarHBondContact CE1-SD 3.33Å; Y589-M593 HydrophobicContact CE2-CE 4.17Å; Y589-M593 WeakPolarHBondContact O-CB 3.47Å; Y589-M593 WeakPolarHBondContact O-CG 3.35Å; Y589-M593 PolarHBondContact O-N 3.43Å; Y589-M593 WeakPolarHBondContact OH-CE 3.5Å; V590-M593 PolarHBondContact O-N 2.91Å; D591-M593 VanDerWaalsContact C-N 3.31Å; D591-M593 PolarHBondContact O-N 3.02Å; M593-E595 VanDerWaalsContact C-N 3.35Å; M593-E595 PolarHBondContact O-N 2.7Å; M593-A596 PolarHBondContact O-N 3.26Å; M593-V597 WeakPolarHBondContact O-CB 3.45Å; M593-V597 VanDerWaalsContact O-CG2 3.3Å; M593-V597 WeakPolarHBondContact O-CG2 3.48Å; M593-V597 PolarHBondContact O-N 2.99Å; M593-V646 HydrophobicContact CG-CG1 4.05Å; M593-I647 HydrophobicContact CE-CD1 3.93Å; M593-I647 HydrophobicContact CE-CG1 3.51Å |
| 594 | N | 88.6 | Confident | 82.5 | Confident | 54 Ų | 54 | 59.7 Ų | 59.7 | 29% | 0.289 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.8 | -36.2 | 179.7 | -88.3 | -67 | 0 | 0 | 0 | 112.5 | V590 D591 K598 | V590-N594 VanDerWaalsContact CG1-ND2 3.35Å; V590-N594 WeakPolarHBondContact CG1-ND2 3.27Å; V590-N594 VanDerWaalsContact O-CB 3.3Å; V590-N594 WeakPolarHBondContact O-CB 3.36Å; V590-N594 PolarHBondContact O-N 3.2Å; V590-N594 PolarHBondContact O-ND2 2.85Å; D591-N594 PolarHBondContact O-N 3.41Å; N594-K598 WeakPolarHBondContact O-CB 3.49Å; N594-K598 WeakPolarHBondContact O-CD 3.45Å; N594-K598 WeakPolarHBondContact O-CG 3.5Å; N594-K598 PolarHBondContact O-N 2.85Å |
| 595 | E | 87 | Confident | 82.1 | Confident | 102 Ų | 102 | 59.4 Ų | 59.4 | 48% | 0.477 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -68.1 | -39.5 | 171.1 | -73.2 | -52.2 | 131.1 | 0 | 0 | 112.8 | D591 M593 K598 A599 | D591-E595 PolarHBondContact O-N 3.14Å; M593-E595 VanDerWaalsContact C-N 3.35Å; M593-E595 PolarHBondContact O-N 2.7Å; E595-K598 PolarHBondContact O-N 3.08Å; E595-K598 VanDerWaalsContact OE1-CD 3.27Å; E595-K598 WeakPolarHBondContact OE1-CD 3.13Å; E595-K598 WeakPolarHBondContact OE1-CE 3.41Å; E595-K598 IonicContact OE1-NZ 3.71Å; E595-K598 PolarHBondContact OE1-NZ 2.9Å; E595-A599 WeakPolarHBondContact O-CB 3.47Å; E595-A599 PolarHBondContact O-N 3.06Å |
| 596 | A | 85.4 | Confident | 81.9 | Confident | 13 Ų | 13 | 56.9 Ų | 56.9 | 11% | 0.107 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.8 | -41.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | R592 M593 A599 L600 I643 | R592-A596 WeakPolarHBondContact O-CB 3.36Å; R592-A596 PolarHBondContact O-N 3.41Å; R592-A596 VanDerWaalsContact O-N 3.08Å; M593-A596 PolarHBondContact O-N 3.26Å; A596-A599 WeakPolarHBondContact O-CB 3.37Å; A596-A599 PolarHBondContact O-N 3.34Å; A596-A599 VanDerWaalsContact O-N 3.17Å; A596-L600 PolarHBondContact O-N 3.46Å; A596-I643 HydrophobicContact CB-CG1 3.79Å |
| 597 | V | 86.1 | Confident | 81.8 | Confident | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.012 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.7 | -45.2 | 171.4 | 164.4 | 0 | 0 | 0 | 0 | 110.9 | L574 I577 M593 A599 L600 R601 | L574-V597 HydrophobicContact CD1-CG1 4.02Å; L574-V597 HydrophobicContact CD1-CG2 4.42Å; I577-V597 HydrophobicContact CB-CG2 3.93Å; I577-V597 HydrophobicContact CG2-CG2 3.56Å; M593-V597 WeakPolarHBondContact O-CB 3.45Å; M593-V597 VanDerWaalsContact O-CG2 3.3Å; M593-V597 WeakPolarHBondContact O-CG2 3.48Å; M593-V597 PolarHBondContact O-N 2.99Å; V597-A599 PolarHBondContact O-N 3.47Å; V597-L600 PolarHBondContact O-N 3.23Å; V597-R601 HydrophobicContact CG1-CG 4.12Å; V597-R601 VanDerWaalsContact CG1-CZ 3.43Å; V597-R601 VanDerWaalsContact O-CB 3.25Å; V597-R601 WeakPolarHBondContact O-CB 3.41Å; V597-R601 VanDerWaalsContact O-CG 3.22Å; V597-R601 WeakPolarHBondContact O-CG 3.31Å; V597-R601 PolarHBondContact O-N 3.37Å |
| 598 | K | 85 | Confident | 81.9 | Confident | 91 Ų | 91 | 55.6 Ų | 55.6 | 40% | 0.396 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.9 | -28.2 | 174 | -70.9 | 162.9 | -156.7 | 171.6 | 0 | 112.5 | N594 E595 K604 | N594-K598 WeakPolarHBondContact O-CB 3.49Å; N594-K598 WeakPolarHBondContact O-CD 3.45Å; N594-K598 WeakPolarHBondContact O-CG 3.5Å; N594-K598 PolarHBondContact O-N 2.85Å; E595-K598 PolarHBondContact O-N 3.08Å; E595-K598 VanDerWaalsContact OE1-CD 3.27Å; E595-K598 WeakPolarHBondContact OE1-CD 3.13Å; E595-K598 WeakPolarHBondContact OE1-CE 3.41Å; E595-K598 IonicContact OE1-NZ 3.71Å; E595-K598 PolarHBondContact OE1-NZ 2.9Å; K598-K604 WeakPolarHBondContact O-CD 3.4Å |
| 599 | A | 82.9 | Confident | 82.2 | Confident | 32 Ų | 32 | 50.5 Ų | 50.5 | 26% | 0.264 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -77 | -37.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | E595 A596 V597 K604 S605 | E595-A599 WeakPolarHBondContact O-CB 3.47Å; E595-A599 PolarHBondContact O-N 3.06Å; A596-A599 WeakPolarHBondContact O-CB 3.37Å; A596-A599 PolarHBondContact O-N 3.34Å; A596-A599 VanDerWaalsContact O-N 3.17Å; V597-A599 PolarHBondContact O-N 3.47Å; A599-K604 VanDerWaalsContact O-CB 3.31Å; A599-K604 WeakPolarHBondContact O-CB 3.27Å; A599-S605 PolarHBondContact O-OG 2.68Å |
| 600 | L | 82.5 | Confident | 82.3 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -81.1 | -35.8 | 178 | -177.6 | 59.4 | 0 | 0 | 0 | 112.9 | A570 V573 L574 I577 A596 V597 I606 L636 I640 I643 | A570-L600 HydrophobicContact CB-CD1 4.41Å; V573-L600 HydrophobicContact CB-CD2 4.5Å; V573-L600 HydrophobicContact CG1-CD2 4.14Å; L574-L600 HydrophobicContact CB-CD2 3.79Å; L574-L600 HydrophobicContact CB-CG 4.42Å; L574-L600 HydrophobicContact CD1-CD2 4.36Å; I577-L600 HydrophobicContact CD1-CD2 4.03Å; A596-L600 PolarHBondContact O-N 3.46Å; V597-L600 PolarHBondContact O-N 3.23Å; L600-I606 HydrophobicContact CD1-CD1 4.11Å; L600-I606 HydrophobicContact CD1-CG1 4.1Å; L600-I606 HydrophobicContact CG-CD1 4.23Å; L600-L636 HydrophobicContact CD1-CD1 3.51Å; L600-I640 HydrophobicContact CD1-CD1 3.83Å; L600-I640 HydrophobicContact CD2-CD1 4Å; L600-I643 HydrophobicContact CB-CD1 3.93Å; L600-I643 HydrophobicContact CD2-CD1 3.65Å; L600-I643 HydrophobicContact CG-CD1 4.29Å |
| 601 | R | 78.3 | Confident | 82.4 | Confident | 115 Ų | 115 | 50.8 Ų | 50.8 | 43% | 0.434 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -53.5 | 160.1 | -178.6 | -85.8 | -179.3 | -176.7 | 175.2 | 8.5 | 112.9 | L574 V597 S603 K604 | L574-R601 HydrophobicContact CD1-CG 3.81Å; L574-R601 HydrophobicContact CD2-CG 3.98Å; V597-R601 HydrophobicContact CG1-CG 4.12Å; V597-R601 VanDerWaalsContact CG1-CZ 3.43Å; V597-R601 VanDerWaalsContact O-CB 3.25Å; V597-R601 WeakPolarHBondContact O-CB 3.41Å; V597-R601 VanDerWaalsContact O-CG 3.22Å; V597-R601 WeakPolarHBondContact O-CG 3.31Å; V597-R601 PolarHBondContact O-N 3.37Å; R601-S603 PolarHBondContact O-N 3.04Å; R601-K604 PolarHBondContact O-N 3.27Å |
| 602 | S | 63 | Low | 82.5 | Confident | 36 Ų | 36 | 47.8 Ų | 47.8 | 25% | 0.252 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -3.3 | -165.7 | -47.9 | 0 | 0 | 0 | 0 | 117.3 | T607 I725 | S602-T607 WeakPolarHBondContact CA-OG1 3.2Å; S602-T607 VanDerWaalsContact CB-OG1 3.3Å; S602-T607 WeakPolarHBondContact CB-OG1 3.46Å; S602-T607 WeakPolarHBondContact O-CB 3.38Å; S602-T607 PolarHBondContact O-OG1 3.22Å; S602-I725 VanDerWaalsContact OG-CD1 3.31Å; S602-I725 WeakPolarHBondContact OG-CD1 3.46Å |
| 603 | S | 58.8 | Low | 82.6 | Confident | 98 Ų | 98 | 42.9 Ų | 42.9 | 69% | 0.685 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -17.9 | 172.6 | 55 | 0 | 0 | 0 | 0 | 114.4 | R601 | R601-S603 PolarHBondContact O-N 3.04Š|
| 604 | K | 65.9 | Low | 82.8 | Confident | 124 Ų | 124 | 45.2 Ų | 45.2 | 54% | 0.539 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -125.2 | -33.3 | -169.7 | -74.7 | -177.1 | -174.5 | 171.1 | 0 | 116.4 | K598 A599 R601 | K598-K604 WeakPolarHBondContact O-CD 3.4Å; A599-K604 VanDerWaalsContact O-CB 3.31Å; A599-K604 WeakPolarHBondContact O-CB 3.27Å; R601-K604 PolarHBondContact O-N 3.27Å |
| 605 | S | 79.1 | Confident | 82.8 | Confident | 9 Ų | 9 | 43.1 Ų | 43.1 | 6% | 0.063 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -128.6 | -58.5 | -173.3 | -61 | 0 | 0 | 0 | 0 | 115.1 | A599 P608 M609 | A599-S605 PolarHBondContact O-OG 2.68Å; S605-P608 WeakPolarHBondContact O-CD 3.48Å; S605-M609 PolarHBondContact O-N 3.07Å |
| 606 | I | 83.7 | Confident | 82.8 | Confident | 4 Ų | 4 | 38.3 Ų | 38.3 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -68.4 | -50.7 | -171.3 | -62 | 173 | 0 | 0 | 0 | 112.4 | A567 A570 N571 L600 M609 V610 L636 | A567-I606 HydrophobicContact CB-CG2 4.44Å; A570-I606 HydrophobicContact CB-CD1 3.71Å; A570-I606 HydrophobicContact CB-CG1 3.88Å; N571-I606 WeakPolarHBondContact OD1-CD1 3.39Å; L600-I606 HydrophobicContact CD1-CD1 4.11Å; L600-I606 HydrophobicContact CD1-CG1 4.1Å; L600-I606 HydrophobicContact CG-CD1 4.23Å; I606-M609 PolarHBondContact O-N 3.23Å; I606-V610 HydrophobicContact CG2-CG2 4.36Å; I606-V610 WeakPolarHBondContact O-CG2 3.5Å; I606-V610 PolarHBondContact O-N 3.4Å; I606-L636 HydrophobicContact CG1-CD1 3.94Å |
| 607 | T | 86.2 | Confident | 83 | Confident | 50 Ų | 50 | 39.1 Ų | 39.1 | 31% | 0.307 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -64.6 | -40.6 | -177.4 | -47.3 | 0 | 0 | 0 | 0 | 114.1 | S602 M609 V610 N611 | S602-T607 WeakPolarHBondContact CA-OG1 3.2Å; S602-T607 VanDerWaalsContact CB-OG1 3.3Å; S602-T607 WeakPolarHBondContact CB-OG1 3.46Å; S602-T607 WeakPolarHBondContact O-CB 3.38Å; S602-T607 PolarHBondContact O-OG1 3.22Å; T607-M609 PolarHBondContact O-N 3.27Å; T607-V610 PolarHBondContact O-N 2.75Å; T607-N611 WeakPolarHBondContact O-CB 3.39Å; T607-N611 PolarHBondContact O-N 3.23Å |
| 608 | P | 87.4 | Confident | 83.1 | Confident | 46 Ų | 46 | 44 Ų | 44 | 30% | 0.299 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -53.4 | -50.5 | 169.7 | -29.1 | 36.4 | 0 | 0 | 0 | 112.7 | S605 V610 N611 D612 | S605-P608 WeakPolarHBondContact O-CD 3.48Å; P608-V610 PolarHBondContact O-N 2.7Å; P608-N611 PolarHBondContact O-N 3.01Å; P608-N611 VanDerWaalsContact O-N 3.14Å; P608-D612 WeakPolarHBondContact O-CB 3.33Å; P608-D612 VanDerWaalsContact O-CG 3.24Å; P608-D612 PolarHBondContact O-N 3.26Å |
| 609 | M | 91.1 | Very high | 83.2 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.5 | -43.8 | 179.3 | -174.7 | -77.5 | -64.8 | 0 | 0 | 112.2 | T563 I566 A567 S605 I606 T607 N611 A613 N633 L636 | T563-M609 HydrophobicContact CG2-SD 4.3Å; I566-M609 HydrophobicContact CB-CE 4.12Å; I566-M609 HydrophobicContact CG2-CE 3.79Å; A567-M609 HydrophobicContact CB-CE 4.12Å; S605-M609 PolarHBondContact O-N 3.07Å; I606-M609 PolarHBondContact O-N 3.23Å; T607-M609 PolarHBondContact O-N 3.27Å; M609-N611 PolarHBondContact O-N 3.39Å; M609-A613 VanDerWaalsContact O-CB 3.31Å; M609-A613 WeakPolarHBondContact O-CB 3.23Å; M609-A613 PolarHBondContact O-N 2.98Å; M609-N633 HydrophobicContact CG-CB 4.28Å; M609-L636 HydrophobicContact CB-CD2 4.41Å; M609-L636 HydrophobicContact CE-CD2 4.01Å; M609-L636 HydrophobicContact CG-CD2 4.24Å |
| 610 | V | 89 | Confident | 83.4 | Confident | 6 Ų | 6 | 42.7 Ų | 42.7 | 4% | 0.036 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.6 | -33.3 | 177 | 172.9 | 0 | 0 | 0 | 0 | 112.6 | A567 I606 T607 P608 K614 M720 I723 | A567-V610 HydrophobicContact CB-CG2 4Å; I606-V610 HydrophobicContact CG2-CG2 4.36Å; I606-V610 WeakPolarHBondContact O-CG2 3.5Å; I606-V610 PolarHBondContact O-N 3.4Å; T607-V610 PolarHBondContact O-N 2.75Å; P608-V610 PolarHBondContact O-N 2.7Å; V610-K614 WeakPolarHBondContact O-CG 3.42Å; V610-K614 PolarHBondContact O-N 3.43Å; V610-K614 VanDerWaalsContact O-N 3.08Å; V610-M720 HydrophobicContact CG1-CB 4.43Å; V610-I723 HydrophobicContact CG1-CD1 3.98Å; V610-I723 HydrophobicContact CG2-CD1 4.15Å; V610-I723 HydrophobicContact CG2-CG2 4.22Å |
| 611 | N | 89.4 | Confident | 83.5 | Confident | 80 Ų | 80 | 48.3 Ų | 48.3 | 43% | 0.428 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -78.6 | -35.8 | 177.9 | -74 | -12.5 | 0 | 0 | 0 | 112.5 | T607 P608 M609 A613 K614 G615 | T607-N611 WeakPolarHBondContact O-CB 3.39Å; T607-N611 PolarHBondContact O-N 3.23Å; P608-N611 PolarHBondContact O-N 3.01Å; P608-N611 VanDerWaalsContact O-N 3.14Å; M609-N611 PolarHBondContact O-N 3.39Å; N611-A613 VanDerWaalsContact C-N 3.28Å; N611-K614 WeakPolarHBondContact O-CB 3.39Å; N611-K614 PolarHBondContact O-N 2.91Å; N611-K614 PolarHBondContact OD1-NZ 3.42Å; N611-G615 PolarHBondContact O-N 3.45Å |
| 612 | D | 90.3 | Very high | 84 | Confident | 39 Ų | 39 | 44.6 Ų | 44.6 | 21% | 0.209 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.3 | -34.3 | 170.9 | -63.7 | -20.8 | 0 | 0 | 0 | 110.7 | P608 G615 L616 W629 S632 | P608-D612 WeakPolarHBondContact O-CB 3.33Å; P608-D612 VanDerWaalsContact O-CG 3.24Å; P608-D612 PolarHBondContact O-N 3.26Å; D612-G615 CarbonylContact O-C 3.53Å; D612-G615 WeakPolarHBondContact O-CA 3.14Å; D612-G615 PolarHBondContact O-N 3Å; D612-G615 VanDerWaalsContact O-N 3.14Å; D612-L616 PolarHBondContact O-N 3.49Å; D612-W629 HydrophobicContact CB-CB 3.99Å; D612-S632 WeakPolarHBondContact OD2-CB 3.43Å; D612-S632 PolarHBondContact OD2-OG 3.44Å |
| 613 | A | 89.7 | Confident | 85.2 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.9 | -41.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | T563 M609 N611 G615 L616 V617 M720 | T563-A613 HydrophobicContact CG2-CB 3.78Å; M609-A613 VanDerWaalsContact O-CB 3.31Å; M609-A613 WeakPolarHBondContact O-CB 3.23Å; M609-A613 PolarHBondContact O-N 2.98Å; N611-A613 VanDerWaalsContact C-N 3.28Å; A613-G615 PolarHBondContact O-N 3.29Å; A613-L616 WeakPolarHBondContact O-CB 3.32Å; A613-L616 PolarHBondContact O-N 3.31Å; A613-V617 WeakPolarHBondContact O-CG2 3.42Å; A613-V617 PolarHBondContact O-N 3.04Å; A613-M720 HydrophobicContact CB-SD 4.44Å |
| 614 | K | 89.5 | Confident | 86.7 | Confident | 49 Ų | 49 | 48.9 Ų | 48.9 | 21% | 0.213 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.6 | -41.7 | 168 | -68.8 | 163.2 | -165 | 162.7 | 0 | 110.9 | V610 N611 V617 T618 L717 M720 | V610-K614 WeakPolarHBondContact O-CG 3.42Å; V610-K614 PolarHBondContact O-N 3.43Å; V610-K614 VanDerWaalsContact O-N 3.08Å; N611-K614 WeakPolarHBondContact O-CB 3.39Å; N611-K614 PolarHBondContact O-N 2.91Å; N611-K614 PolarHBondContact OD1-NZ 3.42Å; K614-V617 PolarHBondContact O-N 3.12Å; K614-T618 WeakPolarHBondContact O-CG2 3.38Å; K614-T618 PolarHBondContact O-N 2.86Å; K614-T618 PolarHBondContact O-OG1 3.18Å; K614-L717 HydrophobicContact CG-CD2 4.47Å; K614-M720 HydrophobicContact CB-CE 4.39Å; K614-M720 HydrophobicContact CD-CB 4.41Å; K614-M720 VanDerWaalsContact CE-CB 3.49Å; K614-M720 WeakPolarHBondContact CE-O 3.46Å; K614-M720 HydrophobicContact CG-CB 4.01Å; K614-M720 HydrophobicContact CG-CE 3.75Å; K614-M720 HydrophobicContact CG-SD 3.82Å; K614-M720 PolarHBondContact NZ-O 3.49Å |
| 615 | G | 87.8 | Confident | 87.7 | Confident | 10 Ų | 10 | 44.6 Ų | 44.6 | 10% | 0.103 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.3 | -49.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | N611 D612 A613 V617 T618 N619 | N611-G615 PolarHBondContact O-N 3.45Å; D612-G615 CarbonylContact O-C 3.53Å; D612-G615 WeakPolarHBondContact O-CA 3.14Å; D612-G615 PolarHBondContact O-N 3Å; D612-G615 VanDerWaalsContact O-N 3.14Å; A613-G615 PolarHBondContact O-N 3.29Å; G615-V617 PolarHBondContact O-N 3.47Å; G615-T618 PolarHBondContact O-N 3.27Å; G615-T618 PolarHBondContact O-OG1 3.19Å; G615-N619 PolarHBondContact O-N 3.1Å; G615-N619 VanDerWaalsContact O-N 3.11Å |
| 616 | L | 88 | Confident | 88.3 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -54.1 | -49.5 | 172.5 | -73.8 | 175.8 | 0 | 0 | 0 | 111.7 | I551 V559 D612 A613 T618 N619 I620 M625 W629 | I551-L616 HydrophobicContact CD1-CD1 3.88Å; I551-L616 HydrophobicContact CD1-CD2 4.33Å; I551-L616 HydrophobicContact CG1-CD1 4.42Å; V559-L616 HydrophobicContact CG1-CB 4.16Å; V559-L616 HydrophobicContact CG1-CD1 4.05Å; D612-L616 PolarHBondContact O-N 3.49Å; A613-L616 WeakPolarHBondContact O-CB 3.32Å; A613-L616 PolarHBondContact O-N 3.31Å; L616-T618 PolarHBondContact O-N 2.95Å; L616-N619 CarbonylContact O-C 3.3Å; L616-N619 VanDerWaalsContact O-C 3.3Å; L616-N619 PolarHBondContact O-N 2.89Å; L616-N619 VanDerWaalsContact O-N 3.12Å; L616-I620 WeakPolarHBondContact O-CA 3.46Å; L616-I620 WeakPolarHBondContact O-CB 2.38Å; L616-I620 PolarHBondContact O-N 3.33Å; L616-M625 HydrophobicContact CD2-CB 3.91Å; L616-W629 HydrophobicContact CD1-CB 3.6Å; L616-W629 HydrophobicContact CD1-CD2 3.88Å; L616-W629 HydrophobicContact CD1-CE3 4.35Å; L616-W629 HydrophobicContact CD1-CG 3.49Å; L616-W629 VanDerWaalsContact CD1-CG 3.49Å; L616-W629 HydrophobicContact CG-CB 4.04Å; L616-W629 HydrophobicContact CG-CG 4.4Å |
| 617 | V | 88.2 | Confident | 88.6 | Confident | 31 Ų | 31 | 50 Ų | 50 | 19% | 0.188 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.1 | -31.5 | -178.3 | 170.7 | 0 | 0 | 0 | 0 | 112 | V559 V560 A613 K614 G615 M720 | V559-V617 HydrophobicContact CB-CG2 4.35Å; V559-V617 HydrophobicContact CG1-CG2 4Å; V560-V617 HydrophobicContact CG2-CG1 4.41Å; V560-V617 HydrophobicContact CG2-CG2 3.65Å; A613-V617 WeakPolarHBondContact O-CG2 3.42Å; A613-V617 PolarHBondContact O-N 3.04Å; K614-V617 PolarHBondContact O-N 3.12Å; G615-V617 PolarHBondContact O-N 3.47Å; V617-M720 HydrophobicContact CB-CE 4.24Å; V617-M720 HydrophobicContact CG1-CE 4.35Å; V617-M720 HydrophobicContact CG2-CE 4.06Å |
| 618 | T | 88.4 | Confident | 88.9 | Confident | 103 Ų | 103 | 52 Ų | 52 | 63% | 0.632 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -79.2 | -21.4 | 174.9 | 55.7 | 0 | 0 | 0 | 0 | 115.1 | K614 G615 L616 | K614-T618 WeakPolarHBondContact O-CG2 3.38Å; K614-T618 PolarHBondContact O-N 2.86Å; K614-T618 PolarHBondContact O-OG1 3.18Å; G615-T618 PolarHBondContact O-N 3.27Å; G615-T618 PolarHBondContact O-OG1 3.19Å; L616-T618 PolarHBondContact O-N 2.95Å |
| 619 | N | 87.5 | Confident | 89.2 | Confident | 77 Ų | 77 | 49.9 Ų | 49.9 | 41% | 0.412 | 26% | 0.264 | S | S | . | . | trans | -155.4 | 62.2 | -173.7 | -163.8 | 19.9 | 0 | 0 | 0 | 111.6 | G615 L616 D621 D622 | G615-N619 PolarHBondContact O-N 3.1Å; G615-N619 VanDerWaalsContact O-N 3.11Å; L616-N619 CarbonylContact O-C 3.3Å; L616-N619 VanDerWaalsContact O-C 3.3Å; L616-N619 PolarHBondContact O-N 2.89Å; L616-N619 VanDerWaalsContact O-N 3.12Å; N619-D621 PolarHBondContact O-N 3.4Å; N619-D621 VanDerWaalsContact O-N 3.15Å; N619-D622 WeakPolarHBondContact ND2-CB 3.34Å; N619-D622 PolarHBondContact O-N 2.89Å; N619-D622 VanDerWaalsContact O-N 3.16Å | ||
| 620 | I | 86.8 | Confident | 89.3 | Confident | 19 Ų | 19 | 54 Ų | 54 | 10% | 0.097 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -19.8 | -169.1 | -169 | 160.3 | 0 | 0 | 0 | 113.8 | I554 T556 V559 L616 H626 | I554-I620 HydrophobicContact CG2-CD1 4.37Å; I554-I620 HydrophobicContact CG2-CG1 4.43Å; I554-I620 HydrophobicContact CG2-CG2 3.59Å; T556-I620 HydrophobicContact CG2-CD1 4.12Å; V559-I620 HydrophobicContact CG2-CD1 4.38Å; L616-I620 WeakPolarHBondContact O-CA 3.46Å; L616-I620 WeakPolarHBondContact O-CB 2.38Å; L616-I620 PolarHBondContact O-N 3.33Å; I620-H626 PolarHBondContact O-NE2 2.82Å |
| 621 | D | 85.3 | Confident | 89.4 | Confident | 118 Ų | 118 | 57.9 Ų | 57.9 | 63% | 0.631 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -15.7 | 177.9 | -64.3 | -52.5 | 0 | 0 | 0 | 114.3 | N619 P623 | N619-D621 PolarHBondContact O-N 3.4Å; N619-D621 VanDerWaalsContact O-N 3.15Å; D621-P623 VanDerWaalsContact O-CD 3.25Å; D621-P623 WeakPolarHBondContact O-CD 3.28Å |
| 622 | D | 88.1 | Confident | 89.6 | Confident | 37 Ų | 37 | 54.5 Ų | 54.5 | 20% | 0.198 | 28% | 0.282 | C | S | . | . | trans | -82.8 | 114.5 | -174.4 | -176.8 | -2.2 | 0 | 0 | 0 | 112.4 | N619 K624 M625 H626 | N619-D622 WeakPolarHBondContact ND2-CB 3.34Å; N619-D622 PolarHBondContact O-N 2.89Å; N619-D622 VanDerWaalsContact O-N 3.16Å; D622-K624 PolarHBondContact O-N 3.34Å; D622-K624 VanDerWaalsContact OD1-CB 3.3Å; D622-K624 WeakPolarHBondContact OD1-CB 3.34Å; D622-K624 WeakPolarHBondContact OD1-CG 3.42Å; D622-K624 PolarHBondContact OD1-N 3.43Å; D622-M625 HydrophobicContact CB-CG 3.98Å; D622-M625 PolarHBondContact O-N 2.93Å; D622-H626 PolarHBondContact O-CD2 2.77Å; D622-H626 PolarHBondContact O-N 2.77Å | ||
| 623 | P | 88.6 | Confident | 89.7 | Confident | 78 Ų | 78 | 53 Ų | 53 | 51% | 0.506 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.4 | -17.2 | 178.9 | -21.3 | 34.8 | 0 | 0 | 0 | 113.9 | D621 N627 | D621-P623 VanDerWaalsContact O-CD 3.25Å; D621-P623 WeakPolarHBondContact O-CD 3.28Å; P623-N627 PolarHBondContact O-N 2.84Å; P623-N627 PolarHBondContact O-ND2 3.29Å |
| 624 | K | 89.9 | Confident | 89.9 | Confident | 146 Ų | 146 | 60.5 Ų | 60.5 | 64% | 0.635 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -66.6 | -44.5 | 172.5 | -63.9 | 169.9 | -174.5 | 165.3 | 0 | 111 | D622 H626 N627 Q628 | D622-K624 PolarHBondContact O-N 3.34Å; D622-K624 VanDerWaalsContact OD1-CB 3.3Å; D622-K624 WeakPolarHBondContact OD1-CB 3.34Å; D622-K624 WeakPolarHBondContact OD1-CG 3.42Å; D622-K624 PolarHBondContact OD1-N 3.43Å; K624-H626 VanDerWaalsContact C-N 3.32Å; K624-H626 PolarHBondContact O-N 2.77Å; K624-N627 PolarHBondContact O-N 3.31Å; K624-Q628 WeakPolarHBondContact O-CG 3.18Å; K624-Q628 PolarHBondContact O-N 2.84Å |
| 625 | M | 88.3 | Confident | 90 | Very high | 35 Ų | 35 | 61.6 Ų | 61.6 | 17% | 0.172 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.5 | -39 | 179.9 | -54.6 | -48.7 | -62 | 0 | 0 | 110.4 | L616 D622 N627 Q628 W629 | L616-M625 HydrophobicContact CD2-CB 3.91Å; D622-M625 HydrophobicContact CB-CG 3.98Å; D622-M625 PolarHBondContact O-N 2.93Å; M625-N627 VanDerWaalsContact C-N 3.34Å; M625-N627 PolarHBondContact O-N 3.31Å; M625-Q628 PolarHBondContact O-N 3.08Å; M625-Q628 PolarHBondContact SD-OE1 3.23Å; M625-Q628 VanDerWaalsContact SD-OE1 3.36Å; M625-W629 PolarHBondContact O-N 3.44Å |
| 626 | H | 90.8 | Very high | 90.2 | Very high | 31 Ų | 31 | 61.1 Ų | 61.1 | 14% | 0.144 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -56 | -47.7 | 171.9 | -57.8 | -176.4 | 0 | 0 | 0 | 111.8 | I551 I620 D622 K624 R630 | I551-H626 WeakPolarHBondContact CG2-NE2 3.25Å; I620-H626 PolarHBondContact O-NE2 2.82Å; D622-H626 PolarHBondContact O-CD2 2.77Å; D622-H626 PolarHBondContact O-N 2.77Å; K624-H626 VanDerWaalsContact C-N 3.32Å; K624-H626 PolarHBondContact O-N 2.77Å; H626-R630 WeakPolarHBondContact O-CB 3.3Å; H626-R630 VanDerWaalsContact O-CG 3.22Å; H626-R630 WeakPolarHBondContact O-CG 3.34Å; H626-R630 PolarHBondContact O-N 2.76Å |
| 627 | N | 91.1 | Very high | 90.3 | Very high | 95 Ų | 95 | 62.5 Ų | 62.5 | 51% | 0.508 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -74.4 | -28.4 | -177 | -72.8 | -56.9 | 0 | 0 | 0 | 113.2 | P623 K624 M625 L631 | P623-N627 PolarHBondContact O-N 2.84Å; P623-N627 PolarHBondContact O-ND2 3.29Å; K624-N627 PolarHBondContact O-N 3.31Å; M625-N627 VanDerWaalsContact C-N 3.34Å; M625-N627 PolarHBondContact O-N 3.31Å; N627-L631 WeakPolarHBondContact O-CB 3.35Å; N627-L631 PolarHBondContact O-N 3.41Å; N627-L631 VanDerWaalsContact O-N 3.16Å |
| 628 | Q | 91.6 | Very high | 90.5 | Very high | 92 Ų | 92 | 64.7 Ų | 64.7 | 43% | 0.43 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.9 | -53.8 | 170.8 | -75 | 173.4 | -12.1 | 0 | 0 | 110.9 | K624 M625 R630 L631 S632 | K624-Q628 WeakPolarHBondContact O-CG 3.18Å; K624-Q628 PolarHBondContact O-N 2.84Å; M625-Q628 PolarHBondContact O-N 3.08Å; M625-Q628 PolarHBondContact SD-OE1 3.23Å; M625-Q628 VanDerWaalsContact SD-OE1 3.36Å; Q628-R630 PolarHBondContact O-N 2.9Å; Q628-L631 WeakPolarHBondContact O-CA 3.24Å; Q628-L631 WeakPolarHBondContact O-CB 3.48Å; Q628-L631 PolarHBondContact O-N 3.03Å; Q628-S632 PolarHBondContact O-N 3.48Å; Q628-S632 PolarHBondContact O-OG 3.01Å |
| 629 | W | 92.8 | Very high | 90.5 | Very high | 1 Ų | 1 | 60.4 Ų | 60.4 | 0% | 0.004 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.4 | -41 | 178.5 | 178.3 | 81.7 | 0 | 0 | 0 | 112.7 | T547 E548 I551 T563 I566 D612 L616 M625 L631 S632 N633 | T547-W629 VanDerWaalsContact CB-CH2 3.47Å; T547-W629 HydrophobicContact CG2-CD2 4.48Å; T547-W629 HydrophobicContact CG2-CE3 4.45Å; T547-W629 HydrophobicContact CG2-CH2 3.59Å; T547-W629 HydrophobicContact CG2-CZ2 3.6Å; T547-W629 HydrophobicContact CG2-CZ3 4.03Å; E548-W629 HydrophobicContact CG-CZ3 4.48Å; I551-W629 HydrophobicContact CD1-CE3 4.31Å; T563-W629 HydrophobicContact CG2-CZ2 4.01Å; I566-W629 HydrophobicContact CD1-CZ2 4.09Å; D612-W629 HydrophobicContact CB-CB 3.99Å; L616-W629 HydrophobicContact CD1-CB 3.6Å; L616-W629 HydrophobicContact CD1-CD2 3.88Å; L616-W629 HydrophobicContact CD1-CE3 4.35Å; L616-W629 HydrophobicContact CD1-CG 3.49Å; L616-W629 VanDerWaalsContact CD1-CG 3.49Å; L616-W629 HydrophobicContact CG-CB 4.04Å; L616-W629 HydrophobicContact CG-CG 4.4Å; M625-W629 PolarHBondContact O-N 3.44Å; W629-L631 VanDerWaalsContact C-N 3.25Å; W629-L631 PolarHBondContact O-N 3.31Å; W629-S632 PolarHBondContact O-N 3.49Å; W629-S632 PolarHBondContact O-OG 2.92Å; W629-N633 HydrophobicContact CD2-CB 4.46Å; W629-N633 HydrophobicContact CH2-CB 4.31Å; W629-N633 WeakPolarHBondContact CH2-ND2 3.34Å; W629-N633 HydrophobicContact CZ2-CB 4.01Å; W629-N633 WeakPolarHBondContact CZ2-ND2 3.46Å; W629-N633 WeakPolarHBondContact O-CB 3.4Å; W629-N633 PolarHBondContact O-N 3.44Å |
| 630 | R | 93.3 | Very high | 90.6 | Very high | 87 Ų | 87 | 56.7 Ų | 56.7 | 33% | 0.328 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58.4 | -37.3 | 172.9 | -76.6 | 172.8 | -171.3 | 130.7 | 10.9 | 112.4 | E548 H626 Q628 R634 | E548-R630 WeakPolarHBondContact OE1-CD 3.44Å; E548-R630 WeakPolarHBondContact OE1-CG 3.48Å; E548-R630 IonicContact OE1-CZ 3.29Å; E548-R630 IonicContact OE1-NE 3.72Å; E548-R630 PolarHBondContact OE1-NE 3.02Å; E548-R630 IonicContact OE1-NH2 2.75Å; E548-R630 IonicContact OE2-CZ 3.66Å; E548-R630 IonicContact OE2-NE 3.39Å; E548-R630 PolarHBondContact OE2-NE 2.67Å; E548-R630 IonicContact OE2-NH2 2.71Å; E548-R630 PolarHBondContact OE2-NH2 2.77Å; H626-R630 WeakPolarHBondContact O-CB 3.3Å; H626-R630 VanDerWaalsContact O-CG 3.22Å; H626-R630 WeakPolarHBondContact O-CG 3.34Å; H626-R630 PolarHBondContact O-N 2.76Å; Q628-R630 PolarHBondContact O-N 2.9Å; R630-R634 VanDerWaalsContact O-CB 3.23Å; R630-R634 WeakPolarHBondContact O-CB 3.49Å; R630-R634 PolarHBondContact O-N 2.73Å |
| 631 | L | 92.9 | Very high | 90.7 | Very high | 88 Ų | 88 | 59.1 Ų | 59.1 | 46% | 0.461 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -70.8 | -47.4 | 178.2 | 179 | 58.9 | 0 | 0 | 0 | 111.7 | N627 Q628 W629 R634 N635 | N627-L631 WeakPolarHBondContact O-CB 3.35Å; N627-L631 PolarHBondContact O-N 3.41Å; N627-L631 VanDerWaalsContact O-N 3.16Å; Q628-L631 WeakPolarHBondContact O-CA 3.24Å; Q628-L631 WeakPolarHBondContact O-CB 3.48Å; Q628-L631 PolarHBondContact O-N 3.03Å; W629-L631 VanDerWaalsContact C-N 3.25Å; W629-L631 PolarHBondContact O-N 3.31Å; L631-R634 PolarHBondContact O-N 3.18Å; L631-N635 WeakPolarHBondContact O-CB 3.39Å; L631-N635 PolarHBondContact O-N 2.8Å; L631-N635 PolarHBondContact O-ND2 3.17Å; L631-N635 PolarHBondContact O-OD1 3.06Å |
| 632 | S | 92.4 | Very high | 90.7 | Very high | 8 Ų | 8 | 56.4 Ų | 56.4 | 6% | 0.056 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -68.4 | -37.9 | 178.8 | 53.3 | 0 | 0 | 0 | 0 | 112.7 | D612 Q628 W629 N635 L636 | D612-S632 WeakPolarHBondContact OD2-CB 3.43Å; D612-S632 PolarHBondContact OD2-OG 3.44Å; Q628-S632 PolarHBondContact O-N 3.48Å; Q628-S632 PolarHBondContact O-OG 3.01Å; W629-S632 PolarHBondContact O-N 3.49Å; W629-S632 PolarHBondContact O-OG 2.92Å; S632-N635 PolarHBondContact O-N 3.27Å; S632-L636 WeakPolarHBondContact O-CB 3.39Å; S632-L636 PolarHBondContact O-N 3.22Å |
| 633 | N | 93.3 | Very high | 90.7 | Very high | 9 Ų | 9 | 54.7 Ų | 54.7 | 5% | 0.048 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 171.8 | -171.3 | 26.5 | 0 | 0 | 0 | 112 | S544 M609 W629 N635 L636 L637 | S544-N633 WeakPolarHBondContact CB-ND2 3.5Å; S544-N633 PolarHBondContact OG-ND2 2.82Å; M609-N633 HydrophobicContact CG-CB 4.28Å; W629-N633 HydrophobicContact CD2-CB 4.46Å; W629-N633 HydrophobicContact CH2-CB 4.31Å; W629-N633 WeakPolarHBondContact CH2-ND2 3.34Å; W629-N633 HydrophobicContact CZ2-CB 4.01Å; W629-N633 WeakPolarHBondContact CZ2-ND2 3.46Å; W629-N633 WeakPolarHBondContact O-CB 3.4Å; W629-N633 PolarHBondContact O-N 3.44Å; N633-N635 VanDerWaalsContact C-N 3.31Å; N633-N635 PolarHBondContact O-N 2.73Å; N633-L636 WeakPolarHBondContact O-CB 3.21Å; N633-L636 PolarHBondContact O-N 2.88Å; N633-L637 WeakPolarHBondContact O-CG 3.42Å; N633-L637 PolarHBondContact O-N 3.37Å |
| 634 | R | 92.9 | Very high | 90.6 | Very high | 156 Ų | 156 | 53.6 Ų | 53.6 | 59% | 0.589 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -63.3 | -36.1 | 173.9 | -169.5 | -172.3 | 68.6 | 142.5 | 4.1 | 112.5 | R630 L631 T638 | R630-R634 VanDerWaalsContact O-CB 3.23Å; R630-R634 WeakPolarHBondContact O-CB 3.49Å; R630-R634 PolarHBondContact O-N 2.73Å; L631-R634 PolarHBondContact O-N 3.18Å; R634-T638 WeakPolarHBondContact O-CB 3.46Å; R634-T638 PolarHBondContact O-N 2.96Å; R634-T638 PolarHBondContact O-OG1 2.88Å |
| 635 | N | 91.2 | Very high | 90.3 | Very high | 73 Ų | 73 | 52.1 Ų | 52.1 | 39% | 0.39 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66.9 | -41.6 | 175.7 | -65.9 | -12.7 | 0 | 0 | 0 | 111 | L631 S632 N633 T638 A639 | L631-N635 WeakPolarHBondContact O-CB 3.39Å; L631-N635 PolarHBondContact O-N 2.8Å; L631-N635 PolarHBondContact O-ND2 3.17Å; L631-N635 PolarHBondContact O-OD1 3.06Å; S632-N635 PolarHBondContact O-N 3.27Å; N633-N635 VanDerWaalsContact C-N 3.31Å; N633-N635 PolarHBondContact O-N 2.73Å; N635-T638 WeakPolarHBondContact O-CB 3.4Å; N635-T638 PolarHBondContact O-N 3.14Å; N635-A639 PolarHBondContact O-N 3.25Å |
| 636 | L | 91.9 | Very high | 90 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.9 | -49.9 | 173.6 | 173.9 | 63.1 | 0 | 0 | 0 | 111.7 | M540 I566 A570 L600 I606 M609 S632 N633 T638 A639 I640 | M540-L636 HydrophobicContact CE-CD1 4.26Å; M540-L636 HydrophobicContact CE-CD2 3.71Å; M540-L636 HydrophobicContact CE-CG 3.71Å; I566-L636 HydrophobicContact CG2-CD2 3.75Å; A570-L636 HydrophobicContact CB-CD1 4.07Å; A570-L636 HydrophobicContact CB-CD2 4.47Å; L600-L636 HydrophobicContact CD1-CD1 3.51Å; I606-L636 HydrophobicContact CG1-CD1 3.94Å; M609-L636 HydrophobicContact CB-CD2 4.41Å; M609-L636 HydrophobicContact CE-CD2 4.01Å; M609-L636 HydrophobicContact CG-CD2 4.24Å; S632-L636 WeakPolarHBondContact O-CB 3.39Å; S632-L636 PolarHBondContact O-N 3.22Å; N633-L636 WeakPolarHBondContact O-CB 3.21Å; N633-L636 PolarHBondContact O-N 2.88Å; L636-T638 VanDerWaalsContact C-N 3.32Å; L636-T638 PolarHBondContact O-N 3Å; L636-A639 WeakPolarHBondContact O-CB 3.49Å; L636-A639 PolarHBondContact O-N 2.75Å; L636-A639 VanDerWaalsContact O-N 3.11Å; L636-I640 WeakPolarHBondContact O-CG1 3.26Å; L636-I640 PolarHBondContact O-N 3.49Å; L636-I640 VanDerWaalsContact O-N 3.07Å |
| 637 | L | 91.8 | Very high | 89.4 | Confident | 29 Ų | 29 | 51.1 Ų | 51.1 | 15% | 0.152 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61 | -39.2 | 176 | -69.4 | 166.3 | 0 | 0 | 0 | 112.1 | M540 L541 N633 A639 I640 N641 | M540-L637 HydrophobicContact CB-CD2 3.93Å; M540-L637 HydrophobicContact CE-CD2 4.37Å; L541-L637 HydrophobicContact CD2-CD1 3.85Å; L541-L637 HydrophobicContact CD2-CD2 4.15Å; L541-L637 HydrophobicContact CG-CD2 4.35Å; N633-L637 WeakPolarHBondContact O-CG 3.42Å; N633-L637 PolarHBondContact O-N 3.37Å; L637-A639 VanDerWaalsContact C-N 3.32Å; L637-A639 PolarHBondContact O-N 3.21Å; L637-I640 PolarHBondContact O-N 2.97Å; L637-N641 PolarHBondContact O-N 2.91Å |
| 638 | T | 90.8 | Very high | 88.5 | Confident | 76 Ų | 76 | 48.8 Ų | 48.8 | 47% | 0.466 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.3 | -42.4 | 173 | -55.3 | 0 | 0 | 0 | 0 | 111.7 | R634 N635 L636 N641 S642 | R634-T638 WeakPolarHBondContact O-CB 3.46Å; R634-T638 PolarHBondContact O-N 2.96Å; R634-T638 PolarHBondContact O-OG1 2.88Å; N635-T638 WeakPolarHBondContact O-CB 3.4Å; N635-T638 PolarHBondContact O-N 3.14Å; L636-T638 VanDerWaalsContact C-N 3.32Å; L636-T638 PolarHBondContact O-N 3Å; T638-N641 PolarHBondContact O-N 3.33Å; T638-S642 PolarHBondContact O-N 2.84Å; T638-S642 PolarHBondContact O-OG 3.37Å |
| 639 | A | 89.1 | Confident | 87 | Confident | 13 Ų | 13 | 48.6 Ų | 48.6 | 11% | 0.107 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.1 | -41.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | N635 L636 L637 S642 I643 | N635-A639 PolarHBondContact O-N 3.25Å; L636-A639 WeakPolarHBondContact O-CB 3.49Å; L636-A639 PolarHBondContact O-N 2.75Å; L636-A639 VanDerWaalsContact O-N 3.11Å; L637-A639 VanDerWaalsContact C-N 3.32Å; L637-A639 PolarHBondContact O-N 3.21Å; A639-S642 PolarHBondContact O-N 3.15Å; A639-I643 WeakPolarHBondContact O-CD1 3.28Å; A639-I643 WeakPolarHBondContact O-CG1 3.42Å; A639-I643 PolarHBondContact O-N 2.83Å |
| 640 | I | 90.7 | Very high | 84.7 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 175.8 | -61 | -67.9 | 0 | 0 | 0 | 111.5 | I533 E537 M540 V573 L600 L636 L637 I643 K644 | I533-I640 HydrophobicContact CG2-CG2 4.26Å; E537-I640 HydrophobicContact CB-CG2 4.08Å; E537-I640 HydrophobicContact CG-CG2 4.39Å; M540-I640 HydrophobicContact CE-CD1 4.46Å; M540-I640 HydrophobicContact CE-CG1 3.97Å; M540-I640 HydrophobicContact SD-CD1 4.35Å; M540-I640 HydrophobicContact SD-CG1 4.14Å; V573-I640 HydrophobicContact CB-CD1 4.05Å; V573-I640 HydrophobicContact CG1-CD1 3.71Å; V573-I640 HydrophobicContact CG2-CD1 4.36Å; L600-I640 HydrophobicContact CD1-CD1 3.83Å; L600-I640 HydrophobicContact CD2-CD1 4Å; L636-I640 WeakPolarHBondContact O-CG1 3.26Å; L636-I640 PolarHBondContact O-N 3.49Å; L636-I640 VanDerWaalsContact O-N 3.07Å; L637-I640 PolarHBondContact O-N 2.97Å; I640-I643 HydrophobicContact CD1-CD1 4.33Å; I640-I643 WeakPolarHBondContact O-CB 3.19Å; I640-I643 PolarHBondContact O-N 2.8Å; I640-K644 PolarHBondContact O-N 3.46Å |
| 641 | N | 87.6 | Confident | 82.2 | Confident | 70 Ų | 70 | 55.5 Ų | 55.5 | 37% | 0.374 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.6 | -39.2 | 174.7 | -176.5 | 7.8 | 0 | 0 | 0 | 112 | L637 T638 I643 K644 Q645 | L637-N641 PolarHBondContact O-N 2.91Å; T638-N641 PolarHBondContact O-N 3.33Å; N641-I643 VanDerWaalsContact C-N 3.34Å; N641-I643 PolarHBondContact O-N 3.09Å; N641-K644 WeakPolarHBondContact O-CB 3.36Å; N641-K644 PolarHBondContact O-N 3.07Å; N641-Q645 WeakPolarHBondContact O-CG 3.26Å; N641-Q645 PolarHBondContact O-N 2.81Å; N641-Q645 VanDerWaalsContact O-N 3.1Å; N641-Q645 PolarHBondContact O-NE2 3.06Å; N641-Q645 PolarHBondContact OD1-NE2 3.2Å |
| 642 | S | 86.3 | Confident | 79.3 | Confident | 60 Ų | 60 | 57.4 Ų | 57.4 | 42% | 0.42 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62 | -39.1 | 172.3 | -63.8 | 0 | 0 | 0 | 0 | 112.7 | T638 A639 Q645 V646 | T638-S642 PolarHBondContact O-N 2.84Å; T638-S642 PolarHBondContact O-OG 3.37Å; A639-S642 PolarHBondContact O-N 3.15Å; S642-Q645 PolarHBondContact O-N 3.28Å; S642-V646 PolarHBondContact O-N 3.13Å |
| 643 | I | 87.4 | Confident | 76.3 | Confident | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59 | -48.2 | 172.3 | -76.9 | 154.7 | 0 | 0 | 0 | 111 | I533 V573 I577 A596 L600 A639 I640 N641 Q645 V646 I647 | I533-I643 HydrophobicContact CD1-CG2 3.99Å; V573-I643 HydrophobicContact CG1-CD1 4.45Å; V573-I643 HydrophobicContact CG1-CG2 4.31Å; I577-I643 HydrophobicContact CD1-CB 4.29Å; I577-I643 HydrophobicContact CD1-CD1 3.46Å; I577-I643 VanDerWaalsContact CD1-CD1 3.46Å; I577-I643 HydrophobicContact CD1-CG1 3.72Å; I577-I643 HydrophobicContact CD1-CG2 3.59Å; I577-I643 HydrophobicContact CG1-CG2 3.68Å; A596-I643 HydrophobicContact CB-CG1 3.79Å; L600-I643 HydrophobicContact CB-CD1 3.93Å; L600-I643 HydrophobicContact CD2-CD1 3.65Å; L600-I643 HydrophobicContact CG-CD1 4.29Å; A639-I643 WeakPolarHBondContact O-CD1 3.28Å; A639-I643 WeakPolarHBondContact O-CG1 3.42Å; A639-I643 PolarHBondContact O-N 2.83Å; I640-I643 HydrophobicContact CD1-CD1 4.33Å; I640-I643 WeakPolarHBondContact O-CB 3.19Å; I640-I643 PolarHBondContact O-N 2.8Å; N641-I643 VanDerWaalsContact C-N 3.34Å; N641-I643 PolarHBondContact O-N 3.09Å; I643-Q645 PolarHBondContact O-N 3.47Å; I643-V646 WeakPolarHBondContact O-CB 3.38Å; I643-V646 PolarHBondContact O-N 3.15Å; I643-I647 HydrophobicContact CG2-CD1 3.85Å; I643-I647 PolarHBondContact O-N 3.28Å |
| 644 | K | 86 | Confident | 73.3 | Confident | 56 Ų | 56 | 65.3 Ų | 65.3 | 24% | 0.243 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -55.9 | -38.4 | 178.6 | -166 | 179 | -170.7 | 174.5 | 0 | 111.6 | I533 E537 I640 N641 S648 | I533-K644 HydrophobicContact CG2-CB 4.17Å; I533-K644 HydrophobicContact CG2-CG 4.37Å; E537-K644 WeakPolarHBondContact OE2-CD 3.49Å; E537-K644 IonicContact OE2-NZ 3.7Å; E537-K644 PolarHBondContact OE2-NZ 3.12Å; I640-K644 PolarHBondContact O-N 3.46Å; N641-K644 WeakPolarHBondContact O-CB 3.36Å; N641-K644 PolarHBondContact O-N 3.07Å; K644-S648 VanDerWaalsContact O-CB 3.3Å; K644-S648 WeakPolarHBondContact O-CB 3.33Å; K644-S648 PolarHBondContact O-N 3.38Å; K644-S648 PolarHBondContact O-OG 3.07Å |
| 645 | Q | 84 | Confident | 70.5 | Confident | 114 Ų | 114 | 63.4 Ų | 63.4 | 53% | 0.533 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -72.1 | -25.2 | 176.1 | -67.1 | 166.5 | 39.5 | 0 | 0 | 113.9 | N641 S642 I643 | N641-Q645 WeakPolarHBondContact O-CG 3.26Å; N641-Q645 PolarHBondContact O-N 2.81Å; N641-Q645 VanDerWaalsContact O-N 3.1Å; N641-Q645 PolarHBondContact O-NE2 3.06Å; N641-Q645 PolarHBondContact OD1-NE2 3.2Å; S642-Q645 PolarHBondContact O-N 3.28Å; I643-Q645 PolarHBondContact O-N 3.47Å |
| 646 | V | 81.6 | Confident | 67.8 | Low | 29 Ų | 29 | 64.4 Ų | 64.4 | 18% | 0.176 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -77.3 | -31.4 | 175.5 | 169.1 | 0 | 0 | 0 | 0 | 112.3 | R592 M593 S642 I643 | R592-V646 HydrophobicContact CB-CG1 3.81Å; R592-V646 HydrophobicContact CB-CG2 4.43Å; M593-V646 HydrophobicContact CG-CG1 4.05Å; S642-V646 PolarHBondContact O-N 3.13Å; I643-V646 WeakPolarHBondContact O-CB 3.38Å; I643-V646 PolarHBondContact O-N 3.15Å |
| 647 | I | 79.1 | Confident | 65.1 | Low | 16 Ų | 16 | 70.6 Ų | 70.6 | 8% | 0.082 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -95.3 | -24.3 | -177.4 | -58.5 | 168.6 | 0 | 0 | 0 | 111.8 | A529 N530 I533 I577 M593 I643 | A529-I647 HydrophobicContact CB-CG2 4.17Å; N530-I647 PolarHBondContact ND2-O 2.93Å; N530-I647 VanDerWaalsContact ND2-O 3.08Å; N530-I647 WeakPolarHBondContact OD1-CB 3.29Å; N530-I647 WeakPolarHBondContact OD1-CG2 3.43Å; N530-I647 PolarHBondContact OD1-O 3.07Å; I533-I647 HydrophobicContact CD1-CD1 3.39Å; I577-I647 HydrophobicContact CG1-CD1 4.14Å; M593-I647 HydrophobicContact CE-CD1 3.93Å; M593-I647 HydrophobicContact CE-CG1 3.51Å; I643-I647 HydrophobicContact CG2-CD1 3.85Å; I643-I647 PolarHBondContact O-N 3.28Å |
| 648 | S | 72.2 | Confident | 62.4 | Low | 47 Ų | 47 | 76.5 Ų | 76.5 | 33% | 0.329 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -54.8 | 142.4 | 168.4 | -69.2 | 0 | 0 | 0 | 0 | 109.8 | N530 K644 S650 | N530-S648 PolarHBondContact OD1-N 3.42Å; K644-S648 VanDerWaalsContact O-CB 3.3Å; K644-S648 WeakPolarHBondContact O-CB 3.33Å; K644-S648 PolarHBondContact O-N 3.38Å; K644-S648 PolarHBondContact O-OG 3.07Å; S648-S650 PolarHBondContact O-N 2.78Å |
| 649 | P | 58.9 | Low | 59.8 | Low | 88 Ų | 88 | 78.9 Ų | 78.9 | 57% | 0.571 | 41% | 0.41 | S | S | * | . | trans | -56.2 | 98.3 | 176.3 | -28.1 | 36.6 | 0 | 0 | 0 | 112.1 | F651 | P649-F651 HydrophobicContact CB-CD2 3.87Å; P649-F651 HydrophobicContact CB-CE2 3.77Å; P649-F651 PolarHBondContact O-N 3.1Å | ||
| 650 | S | 44.6 | Very low | 57.3 | Low | 73 Ų | 73 | 85.3 Ų | 85.3 | 51% | 0.51 | 44% | 0.438 | S | S | . | . | trans | -70.9 | 71.6 | 172.5 | -71.5 | 0 | 0 | 0 | 0 | 109.7 | S648 N652 | S648-S650 PolarHBondContact O-N 2.78Å; S650-N652 PolarHBondContact O-N 2.96Å | ||
| 651 | F | 40.7 | Very low | 54.8 | Low | 160 Ų | 160 | 90.6 Ų | 90.6 | 70% | 0.702 | 46% | 0.462 | S | S | * | . | trans | -63.3 | 80.7 | 160.7 | -74.6 | -73.8 | 0 | 0 | 0 | 108 | P649 N653 Y761 | P649-F651 HydrophobicContact CB-CD2 3.87Å; P649-F651 HydrophobicContact CB-CE2 3.77Å; P649-F651 PolarHBondContact O-N 3.1Å; F651-N653 PolarHBondContact O-N 3.42Å; F651-Y761 HydrophobicContact CE2-CE1 4.36Å; F651-Y761 HydrophobicContact CZ-CE1 4.01Å | ||
| 652 | N | 32 | Very low | 52.6 | Low | 128 Ų | 128 | 95.6 Ų | 95.6 | 68% | 0.684 | 48% | 0.477 | S | S | * | . | trans | -56.6 | 92 | 158.5 | -86 | -7.9 | 0 | 0 | 0 | 106.4 | S650 | S650-N652 PolarHBondContact O-N 2.96Š| ||
| 653 | N | 29.4 | Very low | 50.1 | Low | 94 Ų | 94 | 99.8 Ų | 99.8 | 50% | 0.503 | 49% | 0.49 | S | S | . | . | trans | -47.5 | 116.4 | 179.6 | -178 | -6.2 | 0 | 0 | 0 | 107.1 | F651 I655 N656 | F651-N653 PolarHBondContact O-N 3.42Å; N653-I655 PolarHBondContact O-N 2.91Å; N653-N656 PolarHBondContact O-N 3.31Å | ||
| 654 | P | 32.3 | Very low | 47.3 | Very low | 89 Ų | 89 | 108 Ų | 108 | 58% | 0.578 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -58.7 | -20.2 | -160 | 16.5 | -30.6 | 0 | 0 | 0 | 113.8 | N656 Y657 Y658 | P654-N656 VanDerWaalsContact C-N 3.27Å; P654-N656 PolarHBondContact O-N 3.17Å; P654-Y657 PolarHBondContact O-N 2.93Å; P654-Y658 WeakPolarHBondContact O-CD2 3.49Å; P654-Y658 PolarHBondContact O-N 2.84Å |
| 655 | I | 32.3 | Very low | 44.6 | Very low | 116 Ų | 116 | 113.8 Ų | 113.8 | 60% | 0.595 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -44.3 | -46.8 | 165.8 | -58.7 | 176.6 | 0 | 0 | 0 | 112.5 | N653 H659 | N653-I655 PolarHBondContact O-N 2.91Å; I655-H659 PolarHBondContact O-N 3.49Å |
| 656 | N | 34.9 | Very low | 41.9 | Very low | 94 Ų | 94 | 113.9 Ų | 113.9 | 50% | 0.503 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -71.3 | -39.6 | -176.3 | -83.9 | 14.4 | 0 | 0 | 0 | 113 | N653 P654 Y658 H659 E660 | N653-N656 PolarHBondContact O-N 3.31Å; P654-N656 VanDerWaalsContact C-N 3.27Å; P654-N656 PolarHBondContact O-N 3.17Å; N656-Y658 VanDerWaalsContact C-N 3.28Å; N656-Y658 PolarHBondContact O-N 2.92Å; N656-H659 WeakPolarHBondContact O-CA 3.47Å; N656-H659 PolarHBondContact O-N 2.89Å; N656-E660 PolarHBondContact O-N 3.07Å |
| 657 | Y | 35.6 | Very low | 39.5 | Very low | 129 Ų | 129 | 120.8 Ų | 120.8 | 51% | 0.506 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -64.3 | -35.8 | 178.9 | -167.6 | -95.1 | 0 | 0 | 0 | 111.5 | P654 H661 | P654-Y657 PolarHBondContact O-N 2.93Å; Y657-H661 AromaticContact CD2-CD2 3.76Å; Y657-H661 AromaticContact CE1-CD2 3.83Å; Y657-H661 AromaticContact CE2-CD2 3.47Å; Y657-H661 VanDerWaalsContact CE2-CD2 3.47Å; Y657-H661 WeakPolarHBondContact CE2-CD2 3.43Å; Y657-H661 AromaticContact CE2-NE2 3.57Å; Y657-H661 AromaticContact CZ-CD2 3.51Å; Y657-H661 AromaticContact CZ-NE2 3.92Å; Y657-H661 WeakPolarHBondContact O-CB 3.28Å; Y657-H661 PolarHBondContact O-N 3.43Å |
| 658 | Y | 34.3 | Very low | 37 | Very low | 153 Ų | 153 | 125 Ų | 125 | 60% | 0.6 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -66.9 | -37 | 168.8 | -85.4 | -78 | 0 | 0 | 0 | 112.8 | P654 N656 Y662 | P654-Y658 WeakPolarHBondContact O-CD2 3.49Å; P654-Y658 PolarHBondContact O-N 2.84Å; N656-Y658 VanDerWaalsContact C-N 3.28Å; N656-Y658 PolarHBondContact O-N 2.92Å; Y658-Y662 AromaticContact CD1-CD2 3.82Å; Y658-Y662 HydrophobicContact CD1-CD2 3.82Å; Y658-Y662 HydrophobicContact CD1-CE2 4.14Å; Y658-Y662 HydrophobicContact CE1-CD2 4.32Å; Y658-Y662 HydrophobicContact CE1-CE2 4.22Å; Y658-Y662 WeakPolarHBondContact O-CB 3.41Å; Y658-Y662 PolarHBondContact O-N 2.91Å |
| 659 | H | 36.3 | Very low | 35 | Very low | 126 Ų | 126 | 128.8 Ų | 128.8 | 58% | 0.583 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -71.3 | -39.9 | -178.4 | -151.7 | 42.7 | 0 | 0 | 0 | 112.9 | I655 N656 H663 | I655-H659 PolarHBondContact O-N 3.49Å; N656-H659 WeakPolarHBondContact O-CA 3.47Å; N656-H659 PolarHBondContact O-N 2.89Å; H659-H663 AromaticContact ND1-CD2 3.96Å |
| 660 | E | 37.5 | Very low | 33.6 | Very low | 148 Ų | 148 | 131.5 Ų | 131.5 | 69% | 0.692 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -76.7 | -31.1 | 179.6 | -68.6 | -173.7 | 127.1 | 0 | 0 | 113.5 | N656 | N656-E660 PolarHBondContact O-N 3.07Å |
| 661 | H | 38.2 | Very low | 33 | Very low | 111 Ų | 111 | 136.1 Ų | 136.1 | 51% | 0.514 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -104 | -13.1 | -173.8 | -68.3 | -42.5 | 0 | 0 | 0 | 116.5 | Y657 | Y657-H661 AromaticContact CD2-CD2 3.76Å; Y657-H661 AromaticContact CE1-CD2 3.83Å; Y657-H661 AromaticContact CE2-CD2 3.47Å; Y657-H661 VanDerWaalsContact CE2-CD2 3.47Å; Y657-H661 WeakPolarHBondContact CE2-CD2 3.43Å; Y657-H661 AromaticContact CE2-NE2 3.57Å; Y657-H661 AromaticContact CZ-CD2 3.51Å; Y657-H661 AromaticContact CZ-NE2 3.92Å; Y657-H661 WeakPolarHBondContact O-CB 3.28Å; Y657-H661 PolarHBondContact O-N 3.43Å |
| 662 | Y | 40.6 | Very low | 32.4 | Very low | 175 Ų | 175 | 136.2 Ų | 136.2 | 69% | 0.686 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -114.5 | 0 | -178.1 | -74.4 | -86.4 | 0 | 0 | 0 | 116.1 | Y658 | Y658-Y662 AromaticContact CD1-CD2 3.82Å; Y658-Y662 HydrophobicContact CD1-CD2 3.82Å; Y658-Y662 HydrophobicContact CD1-CE2 4.14Å; Y658-Y662 HydrophobicContact CE1-CD2 4.32Å; Y658-Y662 HydrophobicContact CE1-CE2 4.22Å; Y658-Y662 WeakPolarHBondContact O-CB 3.41Å; Y658-Y662 PolarHBondContact O-N 2.91Å |
| 663 | H | 33.5 | Very low | 32.3 | Very low | 149 Ų | 149 | 133.9 Ų | 133.9 | 69% | 0.69 | 68% | 0.682 | S | S | * | * | trans | -102.6 | 43.5 | -179.1 | -100.8 | -71.3 | 0 | 0 | 0 | 115.8 | H659 | H659-H663 AromaticContact ND1-CD2 3.96Š| ||
| 664 | H | 28.9 | Very low | 32.3 | Very low | 172 Ų | 172 | 136.6 Ų | 136.6 | 80% | 0.796 | 70% | 0.695 | S | S | * | * | trans | -101.2 | 85.6 | 168.1 | -88.1 | -46.5 | 0 | 0 | 0 | 113 | ||||
| 665 | H | 29.1 | Very low | 32 | Very low | 179 Ų | 179 | 140.7 Ų | 140.7 | 83% | 0.829 | 71% | 0.706 | S | S | * | * | trans | -165.5 | 115.8 | 141.9 | -112.5 | -68.4 | 0 | 0 | 0 | 111.7 | ||||
| 666 | P | 28.8 | Very low | 31.8 | Very low | 116 Ų | 116 | 141 Ų | 141 | 75% | 0.753 | 72% | 0.718 | S | S | * | * | trans | -93.4 | 124.6 | 177.7 | 33.6 | -30.5 | 0 | 0 | 0 | 111.9 | ||||
| 667 | L | 29.7 | Very low | 31.4 | Very low | 174 Ų | 174 | 142.1 Ų | 142.1 | 91% | 0.911 | 73% | 0.729 | S | S | * | * | trans | -129.7 | 118.5 | 163.4 | -78.4 | 177.3 | 0 | 0 | 0 | 111.5 | ||||
| 668 | S | 26.7 | Very low | 30.9 | Very low | 103 Ų | 103 | 142.7 Ų | 142.7 | 72% | 0.72 | 74% | 0.741 | S | S | * | * | trans | -47.5 | 145.9 | 176.7 | -174.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 669 | V | 30.4 | Very low | 30.5 | Very low | 127 Ų | 127 | 141.3 Ų | 141.3 | 77% | 0.77 | 75% | 0.748 | S | S | * | * | -173.2 | 117.7 | 108.4 | 149.8 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 670 | H | 30.5 | Very low | 29.9 | Very low | 145 Ų | 145 | 139.7 Ų | 139.7 | 67% | 0.671 | 75% | 0.751 | S | S | * | * | trans | 53.4 | 110.1 | 149.1 | -77.3 | -122.1 | 0 | 0 | 0 | 123.9 | ||||
| 671 | K | 30.9 | Very low | 29.6 | Very low | 170 Ų | 170 | 140.3 Ų | 140.3 | 74% | 0.739 | 76% | 0.758 | S | S | * | * | 53.9 | 103.5 | 118 | -70.3 | -170.6 | 176.7 | -176.2 | 0 | 120.6 | |||||
| 672 | N | 29 | Very low | 29 | Very low | 162 Ų | 162 | 140.2 Ų | 140.2 | 87% | 0.866 | 77% | 0.77 | S | S | * | * | 156.1 | 149 | 107.9 | -79.6 | -23.3 | 0 | 0 | 0 | 110.6 | |||||
| 673 | G | 30.2 | Very low | 28.6 | Very low | 79 Ų | 79 | 137.1 Ų | 137.1 | 81% | 0.814 | 77% | 0.773 | S | S | * | * | trans | 135.3 | 73.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 674 | I | 28.6 | Very low | 28.3 | Very low | 152 Ų | 152 | 137.3 Ų | 137.3 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | trans | -43.9 | 137.3 | 170.4 | -66 | 169.1 | 0 | 0 | 0 | 114.9 | ||||
| 675 | H | 27.1 | Very low | 28.4 | Very low | 174 Ų | 174 | 134.6 Ų | 134.6 | 81% | 0.806 | 78% | 0.78 | S | S | * | * | trans | 41.7 | 121.4 | 161.3 | -65.4 | -61.5 | 0 | 0 | 0 | 121.2 | ||||
| 676 | S | 27.2 | Very low | 28.4 | Very low | 122 Ų | 122 | 130.9 Ų | 130.9 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | -176.4 | 173 | 106.4 | -79.2 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 677 | T | 25.6 | Very low | 28.4 | Very low | 119 Ų | 119 | 131.8 Ų | 131.8 | 73% | 0.73 | 77% | 0.772 | S | S | * | * | trans | -82.8 | -177.3 | -178.5 | 56.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 678 | N | 25.3 | Very low | 28.4 | Very low | 140 Ų | 140 | 129.6 Ų | 129.6 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | trans | 87.3 | 151.6 | 167.3 | -51 | -3.6 | 0 | 0 | 0 | 114.7 | ||||
| 679 | T | 26.2 | Very low | 28.5 | Very low | 124 Ų | 124 | 131.3 Ų | 131.3 | 76% | 0.761 | 76% | 0.76 | S | S | * | * | cis | -159.3 | 175 | -12.1 | 13.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 680 | S | 24.8 | Very low | 28.5 | Very low | 92 Ų | 92 | 133.7 Ų | 133.7 | 64% | 0.643 | 76% | 0.763 | S | S | * | * | trans | -46.4 | 149.1 | 165.7 | 53 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 681 | I | 29.8 | Very low | 28.6 | Very low | 162 Ų | 162 | 132.9 Ų | 132.9 | 83% | 0.831 | 76% | 0.763 | S | S | * | * | trans | 40 | 121.6 | 137.6 | -52.7 | 170.8 | 0 | 0 | 0 | 118.2 | ||||
| 682 | S | 26 | Very low | 28.6 | Very low | 109 Ų | 109 | 132.1 Ų | 132.1 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | trans | -147.7 | 109.5 | 161.8 | 51.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 683 | S | 31.9 | Very low | 28.8 | Very low | 110 Ų | 110 | 130.5 Ų | 130.5 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | trans | -149.4 | 59.8 | 156.1 | 48.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 684 | N | 28.4 | Very low | 28.9 | Very low | 152 Ų | 152 | 133.2 Ų | 133.2 | 81% | 0.813 | 75% | 0.754 | S | S | * | * | trans | 54.2 | 109.1 | 137 | -53.4 | -17 | 0 | 0 | 0 | 120.2 | ||||
| 685 | S | 30.8 | Very low | 29.1 | Very low | 116 Ų | 116 | 133.2 Ų | 133.2 | 81% | 0.811 | 76% | 0.756 | S | S | * | * | -159.1 | 119.9 | 107.8 | -160 | 0 | 0 | 0 | 0 | 114 | |||||
| 686 | C | 28.4 | Very low | 29.2 | Very low | 100 Ų | 100 | 130 Ų | 130 | 68% | 0.676 | 75% | 0.754 | S | S | * | * | trans | 41.8 | 105.9 | 148.5 | -64.4 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 687 | N | 29 | Very low | 29.2 | Very low | 136 Ų | 136 | 130.4 Ų | 130.4 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | 99.5 | 120.7 | 117 | -63.4 | -5 | 0 | 0 | 0 | 122.3 | |||||
| 688 | N | 29.7 | Very low | 29.3 | Very low | 128 Ų | 128 | 128.6 Ų | 128.6 | 68% | 0.684 | 75% | 0.748 | S | S | * | * | trans | 88.5 | 98.5 | 139 | -64.6 | -3.7 | 0 | 0 | 0 | 121.8 | ||||
| 689 | I | 28 | Very low | 29.4 | Very low | 139 Ų | 139 | 127.3 Ų | 127.3 | 71% | 0.713 | 75% | 0.75 | S | S | * | * | 61 | 121 | 111.7 | -64.7 | 161.8 | 0 | 0 | 0 | 116 | |||||
| 690 | H | 32 | Very low | 29.5 | Very low | 176 Ų | 176 | 126.8 Ų | 126.8 | 82% | 0.815 | 75% | 0.751 | S | S | * | * | cis | -157.2 | -179 | 42.6 | -136.1 | -10.1 | 0 | 0 | 0 | 115.2 | ||||
| 691 | N | 30.9 | Very low | 29.7 | Very low | 128 Ų | 128 | 132.1 Ų | 132.1 | 68% | 0.684 | 76% | 0.762 | S | S | * | * | trans | -84.1 | 153.2 | -177.3 | -77.8 | -15.7 | 0 | 0 | 0 | 114.1 | ||||
| 692 | N | 32.4 | Very low | 29.7 | Very low | 154 Ų | 154 | 129.7 Ų | 129.7 | 82% | 0.824 | 76% | 0.76 | S | S | * | * | -170.3 | 152.8 | 101.1 | -103.8 | -27.8 | 0 | 0 | 0 | 115.7 | |||||
| 693 | N | 32.4 | Very low | 29.9 | Very low | 128 Ų | 128 | 129.8 Ų | 129.8 | 68% | 0.684 | 76% | 0.76 | S | S | * | * | trans | -96.7 | 164.8 | 180 | -57.5 | -34.8 | 0 | 0 | 0 | 111.4 | ||||
| 694 | N | 32.5 | Very low | 29.8 | Very low | 136 Ų | 136 | 133.4 Ų | 133.4 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | 172.1 | 149.5 | 103.8 | -89.3 | -32.7 | 0 | 0 | 0 | 116.9 | |||||
| 695 | N | 31.9 | Very low | 29.9 | Very low | 152 Ų | 152 | 130.4 Ų | 130.4 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | trans | 75.7 | 123.9 | 147.1 | -64.5 | -4.2 | 0 | 0 | 0 | 122.9 | ||||
| 696 | S | 29 | Very low | 29.9 | Very low | 108 Ų | 108 | 130.7 Ų | 130.7 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | trans | -97.6 | -179.6 | 170 | 47.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 697 | V | 28.3 | Very low | 29.9 | Very low | 130 Ų | 130 | 133 Ų | 133 | 79% | 0.788 | 77% | 0.769 | S | S | * | * | 150.6 | 117.6 | 129.6 | 167.9 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 698 | A | 26.8 | Very low | 30 | Very low | 81 Ų | 81 | 133.9 Ų | 133.9 | 67% | 0.669 | 77% | 0.774 | S | S | * | * | trans | 26.7 | 126.4 | 144.9 | 0 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 699 | S | 27.2 | Very low | 30 | Very low | 113 Ų | 113 | 135.3 Ų | 135.3 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | 46.2 | 124.5 | 116.5 | -45.5 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 700 | S | 29.4 | Very low | 29.9 | Very low | 113 Ų | 113 | 135.8 Ų | 135.8 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | 170.9 | 135.5 | 112.6 | -77.9 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 701 | K | 29.7 | Very low | 29.8 | Very low | 203 Ų | 203 | 135.3 Ų | 135.3 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | trans | 19.4 | 133.6 | 145.3 | -55.6 | 175.3 | -179.5 | 177.3 | 0 | 122 | ||||
| 702 | S | 29.8 | Very low | 29.7 | Very low | 112 Ų | 112 | 135.7 Ų | 135.7 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | -174.2 | 125.6 | 115 | 49.6 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 703 | S | 30.3 | Very low | 29.5 | Very low | 110 Ų | 110 | 134.1 Ų | 134.1 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | 50.3 | 138.3 | 127.2 | -51.2 | 0 | 0 | 0 | 0 | 126.6 | |||||
| 704 | Q | 29.9 | Very low | 29.4 | Very low | 187 Ų | 187 | 133 Ų | 133 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | trans | 103.3 | 94.6 | 134.2 | -89.7 | 174.7 | -22.4 | 0 | 0 | 123.5 | ||||
| 705 | A | 28.5 | Very low | 29.7 | Very low | 89 Ų | 89 | 133.8 Ų | 133.8 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | 63.2 | 128.9 | 116.8 | 0 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 706 | S | 32.3 | Very low | 30.2 | Very low | 122 Ų | 122 | 128.3 Ų | 128.3 | 85% | 0.853 | 76% | 0.761 | S | S | * | * | -171.2 | 158.3 | 110.2 | -80 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 707 | N | 27.9 | Very low | 30.6 | Very low | 149 Ų | 149 | 127.6 Ų | 127.6 | 80% | 0.797 | 75% | 0.748 | S | S | * | * | trans | -77.8 | 159.1 | -169.4 | -45.6 | -36.6 | 0 | 0 | 0 | 114.8 | ||||
| 708 | N | 32 | Very low | 31.2 | Very low | 153 Ų | 153 | 128 Ų | 128 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | -174.9 | 111.8 | 114.9 | -94.1 | -23.8 | 0 | 0 | 0 | 116.2 | |||||
| 709 | K | 28.1 | Very low | 31.8 | Very low | 158 Ų | 158 | 128 Ų | 128 | 69% | 0.687 | 72% | 0.722 | S | S | * | * | 39.8 | 119.1 | 128.2 | -102.1 | 173.8 | 168.3 | -81.4 | 0 | 122.1 | |||||
| 710 | E | 26.9 | Very low | 32.2 | Very low | 149 Ų | 149 | 122.7 Ų | 122.7 | 70% | 0.696 | 68% | 0.684 | S | S | * | * | 102 | 143.9 | 117.1 | -110.7 | 155.5 | -148.8 | 0 | 0 | 123.3 | |||||
| 711 | I | 30.1 | Very low | 32.6 | Very low | 166 Ų | 166 | 123.5 Ų | 123.5 | 85% | 0.851 | 68% | 0.676 | S | S | * | * | trans | 92.6 | 137.3 | 166.7 | -60.6 | 159.6 | 0 | 0 | 0 | 117 | ||||
| 712 | T | 27.7 | Very low | 33 | Very low | 136 Ų | 136 | 118 Ų | 118 | 83% | 0.834 | 65% | 0.653 | S | S | * | * | trans | -113.2 | 140.6 | -162.7 | 53.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 713 | S | 29.1 | Very low | 33.3 | Very low | 121 Ų | 121 | 114.5 Ų | 114.5 | 85% | 0.846 | 63% | 0.625 | S | S | * | * | trans | -145.5 | 150.9 | 157.8 | 55.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 714 | S | 29.4 | Very low | 33.2 | Very low | 105 Ų | 105 | 113.3 Ų | 113.3 | 73% | 0.734 | 62% | 0.617 | S | S | * | * | trans | -72.3 | 176.8 | -172.7 | -47.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 715 | I | 39.5 | Very low | 33.1 | Very low | 152 Ų | 152 | 109.5 Ų | 109.5 | 78% | 0.779 | 60% | 0.602 | S | S | * | * | trans | 87.6 | 143.7 | 165.8 | -51.1 | 151.8 | 0 | 0 | 0 | 114.3 | ||||
| 716 | P | 42.8 | Very low | 33 | Very low | 37 Ų | 37 | 110.6 Ų | 110.6 | 24% | 0.24 | 60% | 0.599 | C | S | . | * | cis | -122.5 | 132.3 | -22.4 | 31.8 | -14.8 | 0 | 0 | 0 | 113.9 | E719 | P716-E719 HydrophobicContact CB-CG 4.49Å; P716-E719 HydrophobicContact CG-CG 4.35Å | ||
| 717 | L | 37.6 | Very low | 32.8 | Very low | 94 Ų | 94 | 110.5 Ų | 110.5 | 49% | 0.492 | 59% | 0.589 | S | S | . | * | S | Bend | trans | -86.3 | -11.5 | 165 | -94.2 | 165.7 | 0 | 0 | 0 | 113.8 | K614 M720 | K614-L717 HydrophobicContact CG-CD2 4.47Å; L717-M720 HydrophobicContact CD2-CE 4.04Å |
| 718 | R | 41.1 | Very low | 32.8 | Very low | 137 Ų | 137 | 108.9 Ų | 108.9 | 52% | 0.517 | 58% | 0.584 | S | S | . | * | S | Bend | trans | -72.5 | -43 | -167.8 | -157.3 | 178.3 | -166.6 | 152.7 | 4.9 | 113 | M720 Q721 E722 | R718-M720 VanDerWaalsContact C-N 3.3Å; R718-M720 PolarHBondContact O-N 2.86Å; R718-Q721 WeakPolarHBondContact O-CA 3.44Å; R718-Q721 WeakPolarHBondContact O-CB 3.41Å; R718-Q721 PolarHBondContact O-N 3.16Å; R718-E722 IonicContact NE-OE1 3.26Å; R718-E722 PolarHBondContact O-N 3.45Å |
| 719 | E | 38.9 | Very low | 32.5 | Very low | 82 Ų | 82 | 106 Ų | 106 | 38% | 0.383 | 58% | 0.576 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -56.2 | -43.5 | -179.8 | -61.3 | -176.3 | 130.9 | 0 | 0 | 111.7 | P716 Q721 E722 | P716-E719 HydrophobicContact CB-CG 4.49Å; P716-E719 HydrophobicContact CG-CG 4.35Å; E719-Q721 VanDerWaalsContact C-N 3.26Å; E719-Q721 PolarHBondContact O-N 2.95Å; E719-E722 PolarHBondContact O-N 3.49Å |
| 720 | M | 36.1 | Very low | 32.3 | Very low | 2 Ų | 2 | 103.6 Ų | 103.6 | 1% | 0.01 | 57% | 0.567 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -74 | -9.6 | 177.6 | -62.7 | -172.7 | -74 | 0 | 0 | 114.5 | V560 V610 A613 K614 V617 L717 R718 | V560-M720 HydrophobicContact CG1-CG 4.05Å; V560-M720 HydrophobicContact CG1-SD 4.44Å; V560-M720 HydrophobicContact CG2-CE 3.71Å; V560-M720 HydrophobicContact CG2-SD 4.08Å; V610-M720 HydrophobicContact CG1-CB 4.43Å; A613-M720 HydrophobicContact CB-SD 4.44Å; K614-M720 HydrophobicContact CB-CE 4.39Å; K614-M720 HydrophobicContact CD-CB 4.41Å; K614-M720 VanDerWaalsContact CE-CB 3.49Å; K614-M720 WeakPolarHBondContact CE-O 3.46Å; K614-M720 HydrophobicContact CG-CB 4.01Å; K614-M720 HydrophobicContact CG-CE 3.75Å; K614-M720 HydrophobicContact CG-SD 3.82Å; K614-M720 PolarHBondContact NZ-O 3.49Å; V617-M720 HydrophobicContact CB-CE 4.24Å; V617-M720 HydrophobicContact CG1-CE 4.35Å; V617-M720 HydrophobicContact CG2-CE 4.06Å; L717-M720 HydrophobicContact CD2-CE 4.04Å; R718-M720 VanDerWaalsContact C-N 3.3Å; R718-M720 PolarHBondContact O-N 2.86Å |
| 721 | Q | 36.3 | Very low | 32.3 | Very low | 130 Ų | 130 | 103 Ų | 103 | 61% | 0.607 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | -33.8 | 169.6 | -69.3 | -179.9 | -44.4 | 0 | 0 | 111.2 | R718 E719 I723 S724 | R718-Q721 WeakPolarHBondContact O-CA 3.44Å; R718-Q721 WeakPolarHBondContact O-CB 3.41Å; R718-Q721 PolarHBondContact O-N 3.16Å; E719-Q721 VanDerWaalsContact C-N 3.26Å; E719-Q721 PolarHBondContact O-N 2.95Å; Q721-I723 VanDerWaalsContact C-N 3.26Å; Q721-I723 PolarHBondContact O-N 3Å; Q721-S724 WeakPolarHBondContact O-CB 3.3Å; Q721-S724 PolarHBondContact O-N 3.4Å |
| 722 | E | 37.7 | Very low | 32 | Very low | 86 Ų | 86 | 100.2 Ų | 100.2 | 40% | 0.402 | 56% | 0.56 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.3 | 0.4 | -179.7 | -67.2 | 178.4 | -163.1 | 0 | 0 | 114.4 | R405 R718 E719 S724 | R405-E722 IonicContact CZ-OE2 3.68Å; R405-E722 IonicContact NH1-OE2 3.45Å; R405-E722 PolarHBondContact NH1-OE2 3.3Å; R718-E722 IonicContact NE-OE1 3.26Å; R718-E722 PolarHBondContact O-N 3.45Å; E719-E722 PolarHBondContact O-N 3.49Å; E722-S724 PolarHBondContact O-N 3.27Å |
| 723 | I | 37.6 | Very low | 31.9 | Very low | 39 Ų | 39 | 102.4 Ų | 102.4 | 20% | 0.2 | 56% | 0.555 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -69.9 | -7.9 | 167.5 | -56.4 | 174 | 0 | 0 | 0 | 111.2 | T564 A567 V610 Q721 I725 | T564-I723 HydrophobicContact CG2-CD1 4.03Å; T564-I723 HydrophobicContact CG2-CG1 4.5Å; A567-I723 HydrophobicContact CB-CD1 4.32Å; A567-I723 HydrophobicContact CB-CG2 4.11Å; V610-I723 HydrophobicContact CG1-CD1 3.98Å; V610-I723 HydrophobicContact CG2-CD1 4.15Å; V610-I723 HydrophobicContact CG2-CG2 4.22Å; Q721-I723 VanDerWaalsContact C-N 3.26Å; Q721-I723 PolarHBondContact O-N 3Å; I723-I725 PolarHBondContact O-N 2.88Å |
| 724 | S | 27.2 | Very low | 31.7 | Very low | 85 Ų | 85 | 101.5 Ų | 101.5 | 59% | 0.594 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -86.9 | 83.2 | -178 | -178.1 | 0 | 0 | 0 | 0 | 114.6 | Q721 E722 T726 | Q721-S724 WeakPolarHBondContact O-CB 3.3Å; Q721-S724 PolarHBondContact O-N 3.4Å; E722-S724 PolarHBondContact O-N 3.27Å; S724-T726 PolarHBondContact O-N 2.87Å |
| 725 | I | 28.3 | Very low | 31.5 | Very low | 108 Ų | 108 | 106.1 Ų | 106.1 | 55% | 0.554 | 55% | 0.551 | S | S | * | * | trans | 39.6 | 69.4 | 145.4 | -32.6 | 171.9 | 0 | 0 | 0 | 116.1 | S602 I723 | S602-I725 VanDerWaalsContact OG-CD1 3.31Å; S602-I725 WeakPolarHBondContact OG-CD1 3.46Å; I723-I725 PolarHBondContact O-N 2.88Å | ||
| 726 | T | 26.1 | Very low | 30.8 | Very low | 112 Ų | 112 | 105.2 Ų | 105.2 | 69% | 0.687 | 55% | 0.546 | S | S | * | . | trans | -120.1 | 156.7 | 152.2 | 55 | 0 | 0 | 0 | 0 | 109.2 | S724 V728 | S724-T726 PolarHBondContact O-N 2.87Å; T726-V728 VanDerWaalsContact C-N 3.34Å; T726-V728 PolarHBondContact O-N 3.3Å | ||
| 727 | D | 29.2 | Very low | 30 | Very low | 120 Ų | 120 | 110.1 Ų | 110.1 | 64% | 0.642 | 57% | 0.57 | S | S | * | * | S | Bend | trans | 67 | 17.6 | 172.9 | -45.3 | -30 | 0 | 0 | 0 | 117.6 | S729 | D727-S729 PolarHBondContact O-N 3.43Š|
| 728 | V | 27.5 | Very low | 29.3 | Very low | 114 Ų | 114 | 112.3 Ų | 112.3 | 69% | 0.691 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | 18.6 | 161.5 | -164.5 | 0 | 0 | 0 | 0 | 111.4 | T726 | T726-V728 VanDerWaalsContact C-N 3.34Å; T726-V728 PolarHBondContact O-N 3.3Å |
| 729 | S | 25.1 | Very low | 28.7 | Very low | 94 Ų | 94 | 112.9 Ų | 112.9 | 66% | 0.657 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.2 | 14.7 | -179.3 | 55.5 | 0 | 0 | 0 | 0 | 113.4 | D727 | D727-S729 PolarHBondContact O-N 3.43Š|
| 730 | H | 25.1 | Very low | 28.1 | Very low | 107 Ų | 107 | 115.6 Ų | 115.6 | 50% | 0.495 | 61% | 0.613 | S | S | . | * | trans | -117.2 | 68.1 | 171.9 | -75 | -16.5 | 0 | 0 | 0 | 111.2 | Y733 | H730-Y733 AromaticContact CE1-CE2 3.38Å; H730-Y733 WeakPolarHBondContact CE1-CE2 3.38Å; H730-Y733 AromaticContact CE1-CZ 3.62Å; H730-Y733 PolarHBondContact CE1-OH 3.48Å; H730-Y733 AromaticContact ND1-CE2 3.85Å; H730-Y733 AromaticContact NE2-CE2 3.8Å | ||
| 731 | I | 24.9 | Very low | 27.6 | Very low | 136 Ų | 136 | 121.8 Ų | 121.8 | 70% | 0.697 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -55.4 | 138.6 | 135.5 | -60.7 | 172.9 | 0 | 0 | 0 | 106 | Y733 | I731-Y733 PolarHBondContact O-N 3.41Š|
| 732 | P | 24.2 | Very low | 27 | Very low | 108 Ų | 108 | 123 Ų | 123 | 70% | 0.701 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 134.3 | -177.7 | -29.9 | 36.2 | 0 | 0 | 0 | 112.4 | S734 | P732-S734 PolarHBondContact O-N 3.26Å; P732-S734 VanDerWaalsContact O-N 3.16Å |
| 733 | Y | 26.1 | Very low | 26.4 | Very low | 182 Ų | 182 | 124.5 Ų | 124.5 | 71% | 0.714 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 119.4 | -173.8 | -89.7 | -95.4 | 0 | 0 | 0 | 112 | H730 I731 Y735 | H730-Y733 AromaticContact CE1-CE2 3.38Å; H730-Y733 WeakPolarHBondContact CE1-CE2 3.38Å; H730-Y733 AromaticContact CE1-CZ 3.62Å; H730-Y733 PolarHBondContact CE1-OH 3.48Å; H730-Y733 AromaticContact ND1-CE2 3.85Å; H730-Y733 AromaticContact NE2-CE2 3.8Å; I731-Y733 PolarHBondContact O-N 3.41Å; Y733-Y735 PolarHBondContact O-N 3.41Å |
| 734 | S | 24 | Very low | 25.8 | Very low | 102 Ų | 102 | 131.1 Ų | 131.1 | 71% | 0.713 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 118.3 | 151.7 | 46.3 | 0 | 0 | 0 | 0 | 107.7 | P732 I736 | P732-S734 PolarHBondContact O-N 3.26Å; P732-S734 VanDerWaalsContact O-N 3.16Å; S734-I736 PolarHBondContact O-N 3.03Å; S734-I736 VanDerWaalsContact O-N 3.15Å |
| 735 | Y | 26.4 | Very low | 25.8 | Very low | 201 Ų | 201 | 134.5 Ų | 134.5 | 79% | 0.788 | 72% | 0.718 | S | S | * | * | trans | -75.3 | 108.3 | -175.4 | -155.5 | -91.7 | 0 | 0 | 0 | 109 | Y733 D737 | Y733-Y735 PolarHBondContact O-N 3.41Å; Y735-D737 PolarHBondContact O-N 3.06Å | ||
| 736 | I | 24.7 | Very low | 25.7 | Very low | 133 Ų | 133 | 136.2 Ų | 136.2 | 68% | 0.682 | 73% | 0.728 | S | S | * | * | trans | -74.1 | 92.1 | -178.8 | -58.4 | 174.8 | 0 | 0 | 0 | 109 | S734 N738 | S734-I736 PolarHBondContact O-N 3.03Å; S734-I736 VanDerWaalsContact O-N 3.15Å; I736-N738 PolarHBondContact O-N 2.96Å; I736-N738 VanDerWaalsContact O-N 3.1Å | ||
| 737 | D | 25.6 | Very low | 25.7 | Very low | 140 Ų | 140 | 138.4 Ų | 138.4 | 75% | 0.749 | 74% | 0.736 | S | S | * | * | trans | -73.3 | 98.5 | 171.5 | -109.5 | -18.3 | 0 | 0 | 0 | 110.2 | Y735 N739 | Y735-D737 PolarHBondContact O-N 3.06Å; D737-N739 VanDerWaalsContact C-N 3.33Å; D737-N739 PolarHBondContact O-N 3.44Å | ||
| 738 | N | 23.9 | Very low | 25.7 | Very low | 141 Ų | 141 | 141.7 Ų | 141.7 | 75% | 0.754 | 74% | 0.74 | S | S | * | * | trans | -71.5 | 81.7 | 173.2 | -86.8 | -59 | 0 | 0 | 0 | 111 | I736 | I736-N738 PolarHBondContact O-N 2.96Å; I736-N738 VanDerWaalsContact O-N 3.1Å | ||
| 739 | N | 28.5 | Very low | 25.7 | Very low | 149 Ų | 149 | 142.5 Ų | 142.5 | 80% | 0.797 | 74% | 0.739 | S | S | * | * | trans | -156.1 | 98.7 | 160.3 | -96.5 | -48.3 | 0 | 0 | 0 | 114.6 | D737 | D737-N739 VanDerWaalsContact C-N 3.33Å; D737-N739 PolarHBondContact O-N 3.44Å | ||
| 740 | N | 24.9 | Very low | 25.8 | Very low | 139 Ų | 139 | 145.7 Ų | 145.7 | 74% | 0.743 | 74% | 0.738 | S | S | * | * | trans | 31.6 | 128 | 144.5 | -88.8 | -16.3 | 0 | 0 | 0 | 122.4 | ||||
| 741 | N | 25.4 | Very low | 25.9 | Very low | 132 Ų | 132 | 147 Ų | 147 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | trans | 85.7 | 114.5 | 145.7 | -56.9 | -31 | 0 | 0 | 0 | 120.4 | ||||
| 742 | N | 24.1 | Very low | 25.9 | Very low | 156 Ų | 156 | 144.6 Ų | 144.6 | 83% | 0.834 | 74% | 0.736 | S | S | * | * | trans | 53.5 | 93.7 | 140.1 | -61.6 | -6.5 | 0 | 0 | 0 | 120.2 | ||||
| 743 | S | 26.1 | Very low | 26.1 | Very low | 116 Ų | 116 | 139.9 Ų | 139.9 | 81% | 0.811 | 71% | 0.706 | S | S | * | * | -168.7 | 163.9 | 114.3 | -172.5 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 744 | H | 25.6 | Very low | 26.4 | Very low | 178 Ų | 178 | 133.5 Ų | 133.5 | 82% | 0.824 | 68% | 0.682 | S | S | * | * | trans | -64.9 | 139.6 | 157.5 | -65.7 | -13.5 | 0 | 0 | 0 | 110.3 | ||||
| 745 | N | 26.4 | Very low | 26.7 | Very low | 157 Ų | 157 | 130.2 Ų | 130.2 | 84% | 0.84 | 65% | 0.654 | S | S | * | * | trans | -160.5 | 146.2 | 150.5 | -93.5 | -21.9 | 0 | 0 | 0 | 107 | ||||
| 746 | D | 26.7 | Very low | 26.9 | Very low | 143 Ų | 143 | 124.4 Ų | 124.4 | 77% | 0.765 | 63% | 0.632 | S | S | * | * | trans | -79.3 | 140.9 | -174.8 | -60.6 | -75.3 | 0 | 0 | 0 | 112.8 | Y748 | D746-Y748 PolarHBondContact O-N 3.16Š| ||
| 747 | D | 25.7 | Very low | 27.1 | Very low | 158 Ų | 158 | 121.8 Ų | 121.8 | 85% | 0.845 | 62% | 0.617 | S | S | * | * | trans | -69.2 | 84.7 | -177.7 | -77.6 | -52.2 | 0 | 0 | 0 | 113.1 | I749 | D747-I749 VanDerWaalsContact C-N 3.33Å; D747-I749 PolarHBondContact O-N 3.22Å | ||
| 748 | Y | 28.6 | Very low | 27.3 | Very low | 189 Ų | 189 | 119.2 Ų | 119.2 | 74% | 0.741 | 60% | 0.599 | S | S | * | * | trans | -75 | 79.8 | 168.4 | -88.5 | -94.2 | 0 | 0 | 0 | 111.7 | D746 Y750 | D746-Y748 PolarHBondContact O-N 3.16Å; Y748-Y750 HydrophobicContact CD1-CE2 4.44Å; Y748-Y750 PolarHBondContact O-N 3.32Å | ||
| 749 | I | 26.9 | Very low | 27.3 | Very low | 131 Ų | 131 | 115.5 Ų | 115.5 | 67% | 0.672 | 58% | 0.582 | S | S | * | * | trans | -70.2 | 97 | 166.8 | -58.6 | 179.3 | 0 | 0 | 0 | 108.9 | D747 H751 | D747-I749 VanDerWaalsContact C-N 3.33Å; D747-I749 PolarHBondContact O-N 3.22Å; I749-H751 VanDerWaalsContact C-N 3.34Å; I749-H751 PolarHBondContact O-N 2.99Å | ||
| 750 | Y | 27.4 | Very low | 27.3 | Very low | 162 Ų | 162 | 111.5 Ų | 111.5 | 64% | 0.635 | 56% | 0.56 | S | S | * | * | trans | -69.6 | 82.5 | 176.2 | -88.9 | -90.4 | 0 | 0 | 0 | 112 | Y748 T752 | Y748-Y750 HydrophobicContact CD1-CE2 4.44Å; Y748-Y750 PolarHBondContact O-N 3.32Å; Y750-T752 PolarHBondContact O-N 2.95Å; Y750-T752 VanDerWaalsContact O-N 3.14Å | ||
| 751 | H | 27.1 | Very low | 27.5 | Very low | 135 Ų | 135 | 109.3 Ų | 109.3 | 63% | 0.625 | 54% | 0.542 | S | S | * | . | trans | -72.6 | 98.1 | 162.8 | -86.4 | -66.9 | 0 | 0 | 0 | 110.3 | I749 S753 | I749-H751 VanDerWaalsContact C-N 3.34Å; I749-H751 PolarHBondContact O-N 2.99Å; H751-S753 PolarHBondContact O-N 2.88Å; H751-S753 PolarHBondContact O-OG 3.17Å; H751-S753 VanDerWaalsContact O-OG 3.05Å | ||
| 752 | T | 26.7 | Very low | 27.5 | Very low | 85 Ų | 85 | 111 Ų | 111 | 52% | 0.521 | 55% | 0.545 | S | S | . | . | trans | -61.8 | 84.8 | -179.7 | 34 | 0 | 0 | 0 | 0 | 113 | Y750 | Y750-T752 PolarHBondContact O-N 2.95Å; Y750-T752 VanDerWaalsContact O-N 3.14Å | ||
| 753 | S | 27 | Very low | 27.6 | Very low | 9 Ų | 9 | 107.6 Ų | 107.6 | 6% | 0.063 | 53% | 0.526 | C | S | . | . | trans | -155.4 | 107.3 | -177.7 | 51.5 | 0 | 0 | 0 | 0 | 110.7 | H751 Y755 | H751-S753 PolarHBondContact O-N 2.88Å; H751-S753 PolarHBondContact O-OG 3.17Å; H751-S753 VanDerWaalsContact O-OG 3.05Å; S753-Y755 VanDerWaalsContact CB-CE2 3.44Å; S753-Y755 VanDerWaalsContact CB-OH 3.25Å; S753-Y755 WeakPolarHBondContact CB-OH 3.42Å; S753-Y755 WeakPolarHBondContact O-CD2 3.47Å; S753-Y755 WeakPolarHBondContact O-CE2 3.48Å; S753-Y755 WeakPolarHBondContact OG-CE2 3.23Å; S753-Y755 VanDerWaalsContact OG-CZ 3.24Å; S753-Y755 PolarHBondContact OG-OH 3.21Å | ||
| 754 | H | 32.6 | Very low | 27.5 | Very low | 48 Ų | 48 | 110.1 Ų | 110.1 | 22% | 0.222 | 52% | 0.523 | C | S | . | . | trans | -108.5 | 96 | -175 | -77 | -74.9 | 0 | 0 | 0 | 111.4 | R455 Y756 H1009 | R455-H754 PolarHBondContact NH1-O 3.44Å; H754-Y756 PolarHBondContact O-N 3.07Å; H754-H1009 AromaticContact CE1-CD2 3.84Å; H754-H1009 AromaticContact CE1-CG 3.5Å; H754-H1009 AromaticContact CE1-ND1 3.98Å; H754-H1009 AromaticContact ND1-CD2 3.58Å; H754-H1009 AromaticContact ND1-CG 3.58Å | ||
| 755 | Y | 31.2 | Very low | 27.6 | Very low | 32 Ų | 32 | 108.3 Ų | 108.3 | 13% | 0.125 | 52% | 0.518 | C | S | . | . | trans | -79.9 | 113.2 | -152.4 | -69 | -91 | 0 | 0 | 0 | 117.7 | S753 R1002 N1006 | S753-Y755 VanDerWaalsContact CB-CE2 3.44Å; S753-Y755 VanDerWaalsContact CB-OH 3.25Å; S753-Y755 WeakPolarHBondContact CB-OH 3.42Å; S753-Y755 WeakPolarHBondContact O-CD2 3.47Å; S753-Y755 WeakPolarHBondContact O-CE2 3.48Å; S753-Y755 WeakPolarHBondContact OG-CE2 3.23Å; S753-Y755 VanDerWaalsContact OG-CZ 3.24Å; S753-Y755 PolarHBondContact OG-OH 3.21Å; Y755-R1002 HydrophobicContact CD1-CB 3.77Å; Y755-R1002 HydrophobicContact CD1-CG 3.93Å; Y755-R1002 HydrophobicContact CD2-CB 3.34Å; Y755-R1002 HydrophobicContact CD2-CG 3.92Å; Y755-R1002 WeakPolarHBondContact CD2-O 3.27Å; Y755-R1002 HydrophobicContact CE1-CB 3.92Å; Y755-R1002 HydrophobicContact CE1-CG 3.57Å; Y755-R1002 HydrophobicContact CE2-CB 3.5Å; Y755-R1002 HydrophobicContact CE2-CG 3.55Å; Y755-R1002 HydrophobicContact CG-CB 3.46Å; Y755-R1002 VanDerWaalsContact CG-CB 3.46Å; Y755-R1002 HydrophobicContact CG-CG 4.08Å; Y755-N1006 PolarHBondContact O-ND2 3.41Å | ||
| 756 | Y | 30.3 | Very low | 27.5 | Very low | 79 Ų | 79 | 106.2 Ų | 106.2 | 31% | 0.31 | 52% | 0.516 | S | S | . | . | trans | -96.4 | 100.8 | 151.6 | -77.3 | -91.2 | 0 | 0 | 0 | 109.5 | D452 H754 E1075 | D452-Y756 HydrophobicContact CB-CD2 3.9Å; H754-Y756 PolarHBondContact O-N 3.07Å; Y756-E1075 WeakPolarHBondContact OH-CB 3.37Å; Y756-E1075 WeakPolarHBondContact OH-CG 3.37Å; Y756-E1075 PolarHBondContact OH-OE2 2.82Å | ||
| 757 | Q | 28.3 | Very low | 27.4 | Very low | 78 Ų | 78 | 106.6 Ų | 106.6 | 36% | 0.364 | 52% | 0.518 | S | S | . | . | trans | -142 | 87 | 169.6 | -160.3 | 171.9 | 37.2 | 0 | 0 | 108.4 | V527 | V527-Q757 PolarHBondContact O-NE2 2.69Š| ||
| 758 | K | 29 | Very low | 27.6 | Very low | 86 Ų | 86 | 104.9 Ų | 104.9 | 37% | 0.374 | 52% | 0.515 | S | S | . | . | trans | -62.9 | 134 | 173.3 | -71.1 | 174.5 | -176.6 | 158.4 | 0 | 109.5 | E274 M760 | E274-K758 WeakPolarHBondContact OE1-CE 3.36Å; E274-K758 IonicContact OE1-NZ 2.7Å; E274-K758 PolarHBondContact OE1-NZ 2.96Å; K758-M760 VanDerWaalsContact C-N 3.28Å; K758-M760 PolarHBondContact O-N 2.91Å | ||
| 759 | P | 25 | Very low | 27.6 | Very low | 63 Ų | 63 | 103.1 Ų | 103.1 | 41% | 0.409 | 52% | 0.518 | S | S | . | . | trans | -80.1 | 72.6 | 176.4 | 34.1 | -35.1 | 0 | 0 | 0 | 110.9 | Y761 I1085 | P759-Y761 WeakPolarHBondContact O-CD2 3.39Å; P759-Y761 WeakPolarHBondContact O-CE2 3.45Å; P759-Y761 PolarHBondContact O-N 2.9Å; P759-I1085 HydrophobicContact CG-CD1 4.05Å | ||
| 760 | M | 28.5 | Very low | 27.5 | Very low | 65 Ų | 65 | 105.4 Ų | 105.4 | 32% | 0.32 | 53% | 0.525 | S | S | . | . | trans | -58.7 | 123.1 | 174.1 | -76.8 | -154.6 | 75.5 | 0 | 0 | 110.7 | K758 E762 I1119 | K758-M760 VanDerWaalsContact C-N 3.28Å; K758-M760 PolarHBondContact O-N 2.91Å; M760-E762 PolarHBondContact O-N 3.48Å; M760-I1119 WeakPolarHBondContact CE-O 3.4Å | ||
| 761 | Y | 29.2 | Very low | 27.6 | Very low | 94 Ų | 94 | 105.9 Ų | 105.9 | 37% | 0.369 | 53% | 0.533 | S | S | . | . | trans | -83.2 | 113.8 | -176.3 | -66.9 | -79.8 | 0 | 0 | 0 | 111.9 | F651 P759 I763 I1085 | F651-Y761 HydrophobicContact CE2-CE1 4.36Å; F651-Y761 HydrophobicContact CZ-CE1 4.01Å; P759-Y761 WeakPolarHBondContact O-CD2 3.39Å; P759-Y761 WeakPolarHBondContact O-CE2 3.45Å; P759-Y761 PolarHBondContact O-N 2.9Å; Y761-I763 VanDerWaalsContact C-N 3.28Å; Y761-I763 PolarHBondContact O-N 3.26Å; Y761-I1085 WeakPolarHBondContact OH-CD1 3.12Å | ||
| 762 | E | 25.2 | Very low | 27.5 | Very low | 167 Ų | 167 | 104.7 Ų | 104.7 | 78% | 0.78 | 54% | 0.54 | S | S | * | . | trans | -69.1 | 79.6 | 172.2 | -167.5 | -163.3 | -160.9 | 0 | 0 | 111.3 | M760 K764 | M760-E762 PolarHBondContact O-N 3.48Å; E762-K764 PolarHBondContact O-N 2.91Å | ||
| 763 | I | 25.4 | Very low | 27.7 | Very low | 85 Ų | 85 | 106.1 Ų | 106.1 | 44% | 0.436 | 55% | 0.551 | S | S | . | * | trans | -78.7 | 107.4 | 168.5 | -59.3 | 179.6 | 0 | 0 | 0 | 108.3 | Y761 L765 | Y761-I763 VanDerWaalsContact C-N 3.28Å; Y761-I763 PolarHBondContact O-N 3.26Å; I763-L765 PolarHBondContact O-N 2.98Å | ||
| 764 | K | 24.5 | Very low | 27.7 | Very low | 169 Ų | 169 | 111.5 Ų | 111.5 | 74% | 0.735 | 59% | 0.588 | S | S | * | * | trans | -60.3 | 102.1 | 175 | -68.7 | -178.7 | 179.2 | 176.5 | 0 | 111.4 | E762 S766 | E762-K764 PolarHBondContact O-N 2.91Å; K764-S766 PolarHBondContact O-N 3.38Å | ||
| 765 | L | 27 | Very low | 27.6 | Very low | 140 Ų | 140 | 114.5 Ų | 114.5 | 73% | 0.733 | 62% | 0.615 | S | S | * | * | trans | -72.5 | 108.7 | 165.8 | -78.3 | 165.6 | 0 | 0 | 0 | 109.2 | I763 N767 | I763-L765 PolarHBondContact O-N 2.98Å; L765-N767 PolarHBondContact O-N 2.65Å | ||
| 766 | S | 25.6 | Very low | 27.6 | Very low | 112 Ų | 112 | 118.6 Ų | 118.6 | 78% | 0.783 | 65% | 0.645 | S | S | * | * | trans | -62.1 | 126 | 169.7 | -57.7 | 0 | 0 | 0 | 0 | 110.1 | K764 P768 | K764-S766 PolarHBondContact O-N 3.38Å; S766-P768 WeakPolarHBondContact O-CD 3.49Å | ||
| 767 | N | 24.3 | Very low | 27.6 | Very low | 151 Ų | 151 | 120.6 Ų | 120.6 | 81% | 0.807 | 67% | 0.668 | S | S | * | * | trans | -48.8 | 121 | 179.9 | -82.6 | 1.7 | 0 | 0 | 0 | 112.5 | L765 L769 | L765-N767 PolarHBondContact O-N 2.65Å; N767-L769 PolarHBondContact O-N 3.12Å | ||
| 768 | P | 29.8 | Very low | 27.8 | Very low | 122 Ų | 122 | 122.7 Ų | 122.7 | 79% | 0.792 | 69% | 0.691 | S | S | * | * | trans | -70.2 | 114.4 | 158.1 | 29.7 | -29.9 | 0 | 0 | 0 | 107.9 | S766 H770 | S766-P768 WeakPolarHBondContact O-CD 3.49Å; P768-H770 PolarHBondContact O-N 3.46Å | ||
| 769 | L | 27.8 | Very low | 28 | Very low | 153 Ų | 153 | 126.5 Ų | 126.5 | 80% | 0.801 | 72% | 0.715 | S | S | * | * | trans | -56.4 | 135.9 | -177.7 | -80 | 158.4 | 0 | 0 | 0 | 112.3 | N767 H771 | N767-L769 PolarHBondContact O-N 3.12Å; L769-H771 PolarHBondContact O-N 3.49Å | ||
| 770 | H | 26.1 | Very low | 28.1 | Very low | 179 Ų | 179 | 129.2 Ų | 129.2 | 83% | 0.829 | 73% | 0.73 | S | S | * | * | trans | -63.2 | 97.1 | 173.3 | -111.9 | -102.5 | 0 | 0 | 0 | 111.2 | P768 | P768-H770 PolarHBondContact O-N 3.46Š| ||
| 771 | H | 28.8 | Very low | 28.3 | Very low | 171 Ų | 171 | 134.1 Ų | 134.1 | 79% | 0.792 | 75% | 0.752 | S | S | * | * | trans | -136.5 | 95.4 | 165.5 | -86.2 | -45.9 | 0 | 0 | 0 | 110.6 | L769 P773 | L769-H771 PolarHBondContact O-N 3.49Å; H771-P773 WeakPolarHBondContact O-CD 3.29Å | ||
| 772 | S | 24.7 | Very low | 28.5 | Very low | 110 Ų | 110 | 137.6 Ų | 137.6 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | -76.7 | 119.5 | 171.6 | -46.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 773 | P | 30.4 | Very low | 28.8 | Very low | 116 Ų | 116 | 136.3 Ų | 136.3 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | trans | -92.8 | 102.4 | 168.9 | 31.9 | -22.6 | 0 | 0 | 0 | 109.3 | H771 S775 | H771-P773 WeakPolarHBondContact O-CD 3.29Å; P773-S775 PolarHBondContact O-N 2.92Å | ||
| 774 | S | 27.4 | Very low | 29.1 | Very low | 121 Ų | 121 | 139.6 Ų | 139.6 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | trans | -61.9 | 123.2 | 175.3 | 47.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 775 | S | 30.3 | Very low | 29.6 | Very low | 111 Ų | 111 | 139 Ų | 139 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | trans | -104.8 | 131.2 | 171.1 | -66 | 0 | 0 | 0 | 0 | 109.6 | P773 | P773-S775 PolarHBondContact O-N 2.92Š| ||
| 776 | P | 31.6 | Very low | 29.8 | Very low | 118 Ų | 118 | 140.5 Ų | 140.5 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 153.9 | -169.4 | 31.4 | -36.1 | 0 | 0 | 0 | 113.2 | ||
| 777 | P | 30.4 | Very low | 30.2 | Very low | 122 Ų | 122 | 142.7 Ų | 142.7 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 128.8 | 179.2 | 31.2 | -34.2 | 0 | 0 | 0 | 112.2 | ||
| 778 | S | 32.3 | Very low | 30.6 | Very low | 121 Ų | 121 | 140.9 Ų | 140.9 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -89 | 118.4 | 171.1 | 37.6 | 0 | 0 | 0 | 0 | 111.3 | ||
| 779 | L | 33.1 | Very low | 30.8 | Very low | 166 Ų | 166 | 141.1 Ų | 141.1 | 87% | 0.869 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 166 | -177.7 | -88.5 | 147.2 | 0 | 0 | 0 | 113.8 | ||
| 780 | T | 28.8 | Very low | 31.1 | Very low | 121 Ų | 121 | 139.7 Ų | 139.7 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -90 | 160.5 | -168.1 | 48.7 | 0 | 0 | 0 | 0 | 115.4 | ||
| 781 | H | 32 | Very low | 31.5 | Very low | 167 Ų | 167 | 135.6 Ų | 135.6 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | trans | 62.5 | 108.8 | 152.8 | -81.8 | -27.1 | 0 | 0 | 0 | 121.6 | ||||
| 782 | H | 34.2 | Very low | 31.8 | Very low | 168 Ų | 168 | 133.9 Ų | 133.9 | 78% | 0.778 | 77% | 0.766 | S | S | * | * | 153.1 | 158.8 | 118.8 | -82.1 | -23.3 | 0 | 0 | 0 | 109.5 | |||||
| 783 | Q | 30.4 | Very low | 32.3 | Very low | 139 Ų | 139 | 133.3 Ų | 133.3 | 65% | 0.65 | 76% | 0.761 | S | S | * | * | cis | 174.9 | 144.8 | -28.2 | 171.1 | 178.5 | 81.2 | 0 | 0 | 105.7 | ||||
| 784 | K | 32.6 | Very low | 32.6 | Very low | 154 Ų | 154 | 135.2 Ų | 135.2 | 67% | 0.67 | 76% | 0.76 | S | S | * | * | trans | 80.8 | 124 | 166 | -81.2 | 158.5 | -178.5 | 168.9 | 0 | 122 | ||||
| 785 | Q | 33.6 | Very low | 32.9 | Very low | 158 Ų | 158 | 136.4 Ų | 136.4 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | 88.7 | 97.8 | 125.4 | -72.5 | 169.2 | -31.7 | 0 | 0 | 124.1 | |||||
| 786 | H | 31.7 | Very low | 33.2 | Very low | 171 Ų | 171 | 138.9 Ų | 138.9 | 79% | 0.792 | 75% | 0.751 | S | S | * | * | 71.6 | 158.7 | 117.1 | -93.2 | -85 | 0 | 0 | 0 | 124.6 | |||||
| 787 | I | 34.2 | Very low | 33.2 | Very low | 157 Ų | 157 | 140.1 Ų | 140.1 | 81% | 0.805 | 75% | 0.746 | S | S | * | * | trans | 85.6 | 118.6 | 175 | -52.6 | 166.4 | 0 | 0 | 0 | 113.5 | ||||
| 788 | T | 32.5 | Very low | 33.5 | Very low | 113 Ų | 113 | 141.9 Ų | 141.9 | 69% | 0.693 | 74% | 0.743 | S | S | * | * | cis | 111.7 | 107.5 | 7 | -58.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 789 | T | 33.8 | Very low | 33.6 | Very low | 127 Ų | 127 | 144 Ų | 144 | 78% | 0.779 | 74% | 0.74 | S | S | * | * | trans | 173 | 113.7 | 150.2 | 32.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 790 | T | 34.3 | Very low | 34.2 | Very low | 123 Ų | 123 | 140.9 Ų | 140.9 | 76% | 0.755 | 73% | 0.729 | S | S | * | * | 67 | 141.7 | 85.3 | 64.2 | 0 | 0 | 0 | 0 | 115 | |||||
| 791 | S | 34.6 | Very low | 34.4 | Very low | 93 Ų | 93 | 145.4 Ų | 145.4 | 65% | 0.65 | 74% | 0.735 | S | S | * | * | cis | -161.9 | 156 | 34.2 | -52.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 792 | T | 35.4 | Very low | 34.7 | Very low | 136 Ų | 136 | 142.3 Ų | 142.3 | 83% | 0.834 | 73% | 0.732 | S | S | * | * | trans | 54.2 | 149.8 | 144.1 | 50.4 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 793 | S | 35.6 | Very low | 34.7 | Very low | 97 Ų | 97 | 140.7 Ų | 140.7 | 68% | 0.678 | 73% | 0.734 | S | S | * | * | cis | -178.1 | 176.2 | -8.8 | 53.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 794 | H | 36.4 | Very low | 35.3 | Very low | 157 Ų | 157 | 139.7 Ų | 139.7 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | cis | -156.4 | 158.4 | 6.1 | -109.6 | -51.5 | 0 | 0 | 0 | 108 | ||||
| 795 | H | 33.9 | Very low | 35.5 | Very low | 145 Ų | 145 | 139.4 Ų | 139.4 | 67% | 0.671 | 75% | 0.75 | S | S | * | * | 49.7 | 138.2 | 87.1 | -68.8 | 14.1 | 0 | 0 | 0 | 116.7 | |||||
| 796 | H | 35.7 | Very low | 35.4 | Very low | 164 Ų | 164 | 138.2 Ų | 138.2 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | cis | -151.1 | -179.1 | 5.3 | -91.4 | -45.5 | 0 | 0 | 0 | 107.6 | ||||
| 797 | H | 32.5 | Very low | 35.8 | Very low | 143 Ų | 143 | 135.3 Ų | 135.3 | 66% | 0.662 | 75% | 0.75 | S | S | * | * | cis | 155.3 | 169.4 | -15.6 | -168.8 | 71.9 | 0 | 0 | 0 | 107.1 | ||||
| 798 | H | 36.4 | Very low | 35.8 | Very low | 159 Ų | 159 | 132.5 Ų | 132.5 | 74% | 0.736 | 75% | 0.745 | S | S | * | * | trans | 73.6 | 163.7 | -174.3 | -60 | -80.1 | 0 | 0 | 0 | 117.8 | ||||
| 799 | Q | 34.7 | Very low | 35.7 | Very low | 167 Ų | 167 | 137.7 Ų | 137.7 | 78% | 0.78 | 75% | 0.753 | S | S | * | * | -170.1 | 166.7 | -60.7 | -112.5 | -162.4 | -22.4 | 0 | 0 | 109.2 | |||||
| 800 | P | 44.5 | Very low | 35.6 | Very low | 99 Ų | 99 | 139.1 Ų | 139.1 | 64% | 0.643 | 75% | 0.751 | S | S | * | * | trans | -104.2 | 174.2 | -164.9 | 40.9 | -37.9 | 0 | 0 | 0 | 115.9 | ||||
| 801 | Y | 34.3 | Very low | 35.3 | Very low | 217 Ų | 217 | 141.3 Ų | 141.3 | 85% | 0.851 | 75% | 0.753 | S | S | * | * | trans | 171.5 | 162.5 | 130.9 | -103.9 | -73.5 | 0 | 0 | 0 | 114 | ||||
| 802 | S | 36.4 | Very low | 35.2 | Very low | 102 Ų | 102 | 142.5 Ų | 142.5 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | trans | 75.6 | 150.8 | 158.5 | -56.6 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 803 | T | 35.3 | Very low | 35.1 | Very low | 134 Ų | 134 | 141.4 Ų | 141.4 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | cis | -166.8 | 165.1 | -46.4 | 16.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 804 | P | 42.8 | Very low | 35.3 | Very low | 117 Ų | 117 | 141.9 Ų | 141.9 | 76% | 0.76 | 76% | 0.76 | S | S | * | * | trans | -111 | 167.6 | -163.5 | 41.2 | -35.6 | 0 | 0 | 0 | 117.3 | ||||
| 805 | T | 37.2 | Very low | 35.1 | Very low | 148 Ų | 148 | 141.4 Ų | 141.4 | 91% | 0.908 | 76% | 0.762 | S | S | * | * | trans | -158 | 152.3 | 159.2 | 14.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 806 | T | 30.4 | Very low | 35.2 | Very low | 134 Ų | 134 | 141.2 Ų | 141.2 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | trans | -126.7 | -173.6 | 176.8 | 6.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 807 | P | 41.3 | Very low | 35 | Very low | 109 Ų | 109 | 140.4 Ų | 140.4 | 71% | 0.708 | 76% | 0.757 | S | S | * | * | cis | -136.7 | -161.3 | -15.5 | 34.5 | -11.7 | 0 | 0 | 0 | 114.4 | ||||
| 808 | S | 33.1 | Very low | 35.1 | Very low | 98 Ų | 98 | 137.2 Ų | 137.2 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | trans | 99.6 | 111.5 | 136.9 | 66.4 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 809 | Y | 30.5 | Very low | 34.9 | Very low | 223 Ų | 223 | 139 Ų | 139 | 88% | 0.875 | 77% | 0.765 | S | S | * | * | trans | 69.5 | 140.6 | 130.8 | -81.4 | -76.1 | 0 | 0 | 0 | 127.2 | ||||
| 810 | Q | 31.9 | Very low | 34.9 | Very low | 156 Ų | 156 | 137 Ų | 137 | 73% | 0.729 | 77% | 0.77 | S | S | * | * | trans | 83.5 | 112.1 | 150.1 | -80.3 | 176.8 | -14.6 | 0 | 0 | 123 | ||||
| 811 | Q | 29.1 | Very low | 34.1 | Very low | 169 Ų | 169 | 137.6 Ų | 137.6 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | 39.8 | 127.2 | 128.6 | -62 | 170.9 | -24.5 | 0 | 0 | 118.7 | |||||
| 812 | S | 32.4 | Very low | 34.1 | Very low | 118 Ų | 118 | 133.4 Ų | 133.4 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | -164.6 | 164.1 | 54.1 | -57.3 | 0 | 0 | 0 | 0 | 114 | |||||
| 813 | S | 32.2 | Very low | 33.8 | Very low | 113 Ų | 113 | 134.2 Ų | 134.2 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | trans | -89.6 | -166.1 | 178 | -23.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 814 | P | 39.6 | Very low | 33.6 | Very low | 108 Ų | 108 | 132.3 Ų | 132.3 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | cis | -134.7 | 178.7 | -24.9 | 27.5 | -5 | 0 | 0 | 0 | 114.3 | ||||
| 815 | L | 33 | Very low | 32.9 | Very low | 147 Ų | 147 | 132.5 Ų | 132.5 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | 162.1 | 153.2 | 117.5 | -86.8 | 172 | 0 | 0 | 0 | 117.3 | |||||
| 816 | H | 35.6 | Very low | 32.6 | Very low | 140 Ų | 140 | 135.8 Ų | 135.8 | 65% | 0.648 | 77% | 0.77 | S | S | * | * | trans | 62.5 | 85.1 | 161.1 | -79.3 | -70.1 | 0 | 0 | 0 | 123.6 | ||||
| 817 | Q | 32.7 | Very low | 32.5 | Very low | 147 Ų | 147 | 138.3 Ų | 138.3 | 69% | 0.687 | 77% | 0.772 | S | S | * | * | 54.1 | 123 | 111.8 | -69.2 | 177.4 | -22.8 | 0 | 0 | 122.5 | |||||
| 818 | G | 32.8 | Very low | 31.8 | Very low | 77 Ų | 77 | 142.2 Ų | 142.2 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | trans | -151.4 | 137.1 | 148.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 819 | Y | 32.9 | Very low | 31.6 | Very low | 197 Ų | 197 | 147 Ų | 147 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | trans | -95.2 | 138.1 | -166.5 | -76.7 | -100.6 | 0 | 0 | 0 | 114.7 | ||||
| 820 | S | 34.5 | Very low | 31.4 | Very low | 125 Ų | 125 | 143.8 Ų | 143.8 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | trans | -172.5 | 132.9 | 141.9 | -80.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 821 | S | 28.5 | Very low | 31.3 | Very low | 111 Ų | 111 | 145.6 Ų | 145.6 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | trans | -96.6 | 150.9 | -171.3 | -48.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 822 | P | 34.6 | Very low | 31.1 | Very low | 129 Ų | 129 | 146.6 Ų | 146.6 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | -117.6 | 175.1 | 115.6 | -7.7 | 27.5 | 0 | 0 | 0 | 114 | |||||
| 823 | S | 29.4 | Very low | 30.9 | Very low | 119 Ų | 119 | 152.2 Ų | 152.2 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | trans | -77.8 | 157.6 | -167.4 | -57 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 824 | P | 30.9 | Very low | 30.6 | Very low | 94 Ų | 94 | 155.3 Ų | 155.3 | 61% | 0.61 | 81% | 0.809 | S | S | * | * | trans | -105.3 | 161.6 | -162.1 | 39.9 | -35.8 | 0 | 0 | 0 | 115.9 | Y826 | P824-Y826 HydrophobicContact CB-CD2 4.09Å; P824-Y826 HydrophobicContact CB-CE2 4.05Å; P824-Y826 HydrophobicContact CG-CD2 4Å; P824-Y826 HydrophobicContact CG-CE2 4.14Å | ||
| 825 | P | 29 | Very low | 30.1 | Very low | 121 Ų | 121 | 155.5 Ų | 155.5 | 79% | 0.786 | 81% | 0.81 | S | S | * | * | trans | -83.8 | 142.8 | 160.8 | 35 | -31.9 | 0 | 0 | 0 | 110.9 | ||||
| 826 | Y | 31.2 | Very low | 30 | Very low | 217 Ų | 217 | 157.1 Ų | 157.1 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | trans | -142.3 | 142.9 | 172 | -98.3 | -78.9 | 0 | 0 | 0 | 114.4 | P824 | P824-Y826 HydrophobicContact CB-CD2 4.09Å; P824-Y826 HydrophobicContact CB-CE2 4.05Å; P824-Y826 HydrophobicContact CG-CD2 4Å; P824-Y826 HydrophobicContact CG-CE2 4.14Å | ||
| 827 | Q | 27.7 | Very low | 29.6 | Very low | 187 Ų | 187 | 157.6 Ų | 157.6 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | trans | -88.3 | 167.9 | 177.3 | -66.4 | 171.5 | -63.6 | 0 | 0 | 112.1 | ||||
| 828 | Q | 26.2 | Very low | 29.4 | Very low | 191 Ų | 191 | 159.3 Ų | 159.3 | 89% | 0.893 | 83% | 0.829 | S | S | * | * | trans | -34.3 | 133.9 | 172.2 | -60.2 | 164.2 | -11.1 | 0 | 0 | 115.6 | ||||
| 829 | Q | 28.7 | Very low | 29.2 | Very low | 198 Ų | 198 | 161.3 Ų | 161.3 | 93% | 0.925 | 83% | 0.83 | S | S | * | * | trans | -137.8 | 137.4 | 142.6 | -92.9 | -172.8 | 1.5 | 0 | 0 | 110.2 | ||||
| 830 | N | 25.7 | Very low | 28.8 | Very low | 155 Ų | 155 | 160.8 Ų | 160.8 | 83% | 0.829 | 83% | 0.832 | S | S | * | * | trans | -75.5 | 130 | -177.2 | -72 | -50 | 0 | 0 | 0 | 111.8 | ||||
| 831 | H | 30.7 | Very low | 28.4 | Very low | 195 Ų | 195 | 162.3 Ų | 162.3 | 90% | 0.903 | 83% | 0.825 | S | S | * | * | trans | -140.5 | 132.7 | 148.3 | -98.5 | 18.4 | 0 | 0 | 0 | 110.4 | ||||
| 832 | H | 25.4 | Very low | 28.3 | Very low | 189 Ų | 189 | 166.2 Ų | 166.2 | 88% | 0.875 | 83% | 0.83 | S | S | * | * | trans | -70 | 131.9 | 175.7 | -98.7 | 32.2 | 0 | 0 | 0 | 111 | ||||
| 833 | Y | 27.1 | Very low | 27.9 | Very low | 237 Ų | 237 | 168.3 Ų | 168.3 | 93% | 0.929 | 82% | 0.823 | S | S | * | * | trans | -155.1 | 144.3 | 139.1 | -106.2 | -73.7 | 0 | 0 | 0 | 109.3 | ||||
| 834 | H | 26.9 | Very low | 27.7 | Very low | 178 Ų | 178 | 167.2 Ų | 167.2 | 82% | 0.824 | 81% | 0.813 | S | S | * | * | trans | -126.1 | 128.6 | -167.4 | -162.9 | 51.6 | 0 | 0 | 0 | 110.5 | ||||
| 835 | P | 29.8 | Very low | 27.5 | Very low | 111 Ų | 111 | 169.1 Ų | 169.1 | 72% | 0.721 | 82% | 0.823 | S | S | * | * | trans | -132.5 | 114.9 | 159.5 | 32.2 | -15.9 | 0 | 0 | 0 | 113.4 | ||||
| 836 | H | 30.1 | Very low | 27.4 | Very low | 181 Ų | 181 | 171.3 Ų | 171.3 | 84% | 0.838 | 82% | 0.823 | S | S | * | * | trans | 28.4 | 126.8 | 146.6 | -68.7 | -86.7 | 0 | 0 | 0 | 122.2 | ||||
| 837 | N | 26 | Very low | 27.4 | Very low | 151 Ų | 151 | 166.3 Ų | 166.3 | 81% | 0.807 | 81% | 0.811 | S | S | * | * | trans | -51.2 | 149.7 | 162.2 | -70 | -62.7 | 0 | 0 | 0 | 114.1 | ||||
| 838 | H | 29.3 | Very low | 27.7 | Very low | 183 Ų | 183 | 161 Ų | 161 | 85% | 0.847 | 79% | 0.788 | S | S | * | * | -151.3 | 144 | 126.8 | -114.2 | -79.3 | 0 | 0 | 0 | 112.1 | |||||
| 839 | S | 29.2 | Very low | 27.9 | Very low | 119 Ų | 119 | 157.5 Ų | 157.5 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | 63.7 | 131.7 | 178.7 | -64.9 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 840 | K | 24.4 | Very low | 28.1 | Very low | 186 Ų | 186 | 151.7 Ų | 151.7 | 81% | 0.809 | 75% | 0.753 | S | S | * | * | trans | -112 | 142.5 | -178.1 | -58.5 | 170 | -179.8 | 174.8 | 0 | 109.6 | ||||
| 841 | H | 26.2 | Very low | 28.5 | Very low | 156 Ų | 156 | 153.1 Ų | 153.1 | 72% | 0.722 | 75% | 0.748 | S | S | * | * | trans | 160.1 | 60.3 | 136.2 | -88.8 | -71.5 | 0 | 0 | 0 | 111 | Y843 | H841-Y843 AromaticContact ND1-CE2 3.98Š| ||
| 842 | H | 26.2 | Very low | 28.6 | Very low | 193 Ų | 193 | 145.8 Ų | 145.8 | 89% | 0.894 | 72% | 0.716 | S | S | * | * | trans | -103.1 | 108.7 | 155.1 | -97.5 | -55.3 | 0 | 0 | 0 | 107.8 | ||||
| 843 | Y | 25.6 | Very low | 29 | Very low | 174 Ų | 174 | 141.3 Ų | 141.3 | 68% | 0.682 | 70% | 0.701 | S | S | * | * | trans | -76.7 | 134.7 | 156.9 | -75.6 | -76.9 | 0 | 0 | 0 | 108.2 | H841 T845 | H841-Y843 AromaticContact ND1-CE2 3.98Å; Y843-T845 PolarHBondContact O-N 3.29Å | ||
| 844 | P | 24.8 | Very low | 29.1 | Very low | 96 Ų | 96 | 135.7 Ų | 135.7 | 62% | 0.623 | 69% | 0.692 | S | S | * | * | trans | -69.3 | 130.3 | 172.9 | 29.4 | -32.8 | 0 | 0 | 0 | 109.4 | E846 | P844-E846 HydrophobicContact CB-CG 4.26Å; P844-E846 HydrophobicContact CG-CG 4.29Å; P844-E846 PolarHBondContact O-N 3.44Å | ||
| 845 | T | 27.8 | Very low | 29.2 | Very low | 134 Ų | 134 | 135.6 Ų | 135.6 | 82% | 0.822 | 69% | 0.689 | S | S | * | * | trans | -75.8 | 75.8 | 171.1 | 42.8 | 0 | 0 | 0 | 0 | 110.2 | Y843 N847 | Y843-T845 PolarHBondContact O-N 3.29Å; T845-N847 PolarHBondContact O-N 3.4Å; T845-N847 VanDerWaalsContact O-N 3.17Å | ||
| 846 | E | 27.1 | Very low | 29.1 | Very low | 166 Ų | 166 | 138.5 Ų | 138.5 | 78% | 0.776 | 69% | 0.693 | S | S | * | * | trans | -70.8 | 103.7 | 174.1 | -66.7 | -170 | 154.4 | 0 | 0 | 110.8 | P844 I848 | P844-E846 HydrophobicContact CB-CG 4.26Å; P844-E846 HydrophobicContact CG-CG 4.29Å; P844-E846 PolarHBondContact O-N 3.44Å; E846-I848 PolarHBondContact O-N 3.4Å | ||
| 847 | N | 30 | Very low | 29 | Very low | 113 Ų | 113 | 137.7 Ų | 137.7 | 60% | 0.604 | 70% | 0.695 | S | S | * | * | trans | 33.2 | 59.4 | 155.5 | -89.5 | -12.8 | 0 | 0 | 0 | 118.5 | T845 N849 T850 | T845-N847 PolarHBondContact O-N 3.4Å; T845-N847 VanDerWaalsContact O-N 3.17Å; N847-N849 PolarHBondContact O-N 2.96Å; N847-T850 PolarHBondContact O-N 3.45Å | ||
| 848 | I | 33.8 | Very low | 28.9 | Very low | 75 Ų | 75 | 138 Ų | 138 | 39% | 0.385 | 70% | 0.697 | S | S | . | * | G | 310 helix | trans | -60.4 | -25.3 | 164 | -65.8 | 176.9 | 0 | 0 | 0 | 111.3 | E846 T850 | E846-I848 PolarHBondContact O-N 3.4Å; I848-T850 PolarHBondContact O-N 2.85Å; I848-T850 VanDerWaalsContact O-N 3.11Å |
| 849 | N | 31.9 | Very low | 28.7 | Very low | 117 Ų | 117 | 136.3 Ų | 136.3 | 63% | 0.626 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -62.3 | -15.9 | -179.3 | -65.3 | 4.7 | 0 | 0 | 0 | 114.9 | N847 | N847-N849 PolarHBondContact O-N 2.96Š|
| 850 | T | 32.6 | Very low | 28.6 | Very low | 76 Ų | 76 | 141.2 Ų | 141.2 | 47% | 0.466 | 70% | 0.695 | S | S | . | * | G | 310 helix | trans | -82.3 | -16.7 | -173.6 | -48.2 | 0 | 0 | 0 | 0 | 114 | N847 I848 | N847-T850 PolarHBondContact O-N 3.45Å; I848-T850 PolarHBondContact O-N 2.85Å; I848-T850 VanDerWaalsContact O-N 3.11Å |
| 851 | Y | 32.7 | Very low | 28.6 | Very low | 185 Ų | 185 | 140.5 Ų | 140.5 | 73% | 0.725 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -93.2 | -11.9 | -171.2 | -73.2 | -82.8 | 0 | 0 | 0 | 115.7 | ||
| 852 | L | 34.3 | Very low | 28.5 | Very low | 42 Ų | 42 | 138.2 Ų | 138.2 | 22% | 0.22 | 70% | 0.7 | C | S | . | * | S | Bend | trans | -106.7 | -4.1 | -176 | -69.3 | 172.4 | 0 | 0 | 0 | 114.2 | F913 Q958 | L852-F913 HydrophobicContact CB-CE2 3.91Å; L852-F913 HydrophobicContact CB-CZ 3.81Å; L852-F913 HydrophobicContact CD1-CE1 4.47Å; L852-F913 HydrophobicContact CD1-CE2 4.37Å; L852-F913 HydrophobicContact CD1-CZ 3.75Å; L852-F913 HydrophobicContact CG-CZ 4.41Å; L852-Q958 HydrophobicContact CD1-CG 4.19Å; L852-Q958 HydrophobicContact CD2-CG 4.07Å; L852-Q958 HydrophobicContact CG-CG 4.37Å |
| 853 | T | 32.9 | Very low | 28.5 | Very low | 94 Ų | 94 | 134.1 Ų | 134.1 | 58% | 0.577 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -99.7 | -2.1 | -171.5 | 43.8 | 0 | 0 | 0 | 0 | 114.5 | K855 | T853-K855 PolarHBondContact O-N 2.84Š|
| 854 | V | 30 | Very low | 28.7 | Very low | 120 Ų | 120 | 133.4 Ų | 133.4 | 73% | 0.727 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -102.8 | 59.7 | -171.3 | -165.8 | 0 | 0 | 0 | 0 | 112.4 | ||
| 855 | K | 28.3 | Very low | 28.8 | Very low | 175 Ų | 175 | 136.3 Ų | 136.3 | 76% | 0.761 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -166.3 | 42 | 168.6 | -115.5 | 166.7 | -171.3 | 177.8 | 0 | 115.4 | T853 E966 | T853-K855 PolarHBondContact O-N 2.84Å; K855-E966 PolarHBondContact NZ-O 2.9Å |
| 856 | Q | 28.7 | Very low | 28.8 | Very low | 173 Ų | 173 | 137.4 Ų | 137.4 | 81% | 0.808 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -143.3 | -8.1 | 173.2 | -124.9 | 171.3 | 35.4 | 0 | 0 | 117.9 | ||
| 857 | N | 26.8 | Very low | 29 | Very low | 163 Ų | 163 | 141.1 Ų | 141.1 | 87% | 0.872 | 71% | 0.714 | S | S | * | * | trans | -114.3 | 113.4 | 170.3 | -73.6 | -38.2 | 0 | 0 | 0 | 109.8 | ||||
| 858 | N | 24.4 | Very low | 28.9 | Very low | 159 Ų | 159 | 144.3 Ų | 144.3 | 85% | 0.85 | 73% | 0.726 | S | S | * | * | trans | -77.4 | 116.7 | 160.4 | -76.4 | -22.9 | 0 | 0 | 0 | 108.1 | ||||
| 859 | D | 24.8 | Very low | 28.7 | Very low | 146 Ų | 146 | 149 Ų | 149 | 78% | 0.781 | 75% | 0.746 | S | S | * | * | 176.1 | 167.4 | 127.8 | -92.1 | -18.6 | 0 | 0 | 0 | 111.2 | |||||
| 860 | Y | 26.3 | Very low | 28.7 | Very low | 223 Ų | 223 | 152.2 Ų | 152.2 | 88% | 0.875 | 76% | 0.758 | S | S | * | * | trans | 76.5 | 92.5 | 176 | -73.4 | -81.3 | 0 | 0 | 0 | 119.1 | ||||
| 861 | L | 24.3 | Very low | 28.4 | Very low | 171 Ų | 171 | 154.8 Ų | 154.8 | 90% | 0.895 | 78% | 0.779 | S | S | * | * | trans | -48 | 164.8 | 149.7 | -71.6 | 144.5 | 0 | 0 | 0 | 114.6 | ||||
| 862 | C | 26 | Very low | 28.3 | Very low | 108 Ų | 108 | 148.8 Ų | 148.8 | 73% | 0.73 | 77% | 0.773 | S | S | * | * | trans | 106.7 | 101 | 146.6 | -136.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 863 | T | 25.2 | Very low | 28 | Very low | 107 Ų | 107 | 153 Ų | 153 | 66% | 0.656 | 80% | 0.801 | S | S | * | * | trans | 44.2 | 130.3 | 137.3 | 61.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 864 | D | 30.2 | Very low | 27.8 | Very low | 159 Ų | 159 | 155.8 Ų | 155.8 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | -156.6 | 139.5 | 97.6 | -90.9 | -18.6 | 0 | 0 | 0 | 111.6 | |||||
| 865 | D | 26.8 | Very low | 27.8 | Very low | 156 Ų | 156 | 155.2 Ų | 155.2 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | trans | -88 | 123 | 170 | -80.1 | -67.3 | 0 | 0 | 0 | 109.7 | ||||
| 866 | D | 28.6 | Very low | 27.9 | Very low | 158 Ų | 158 | 153.9 Ų | 153.9 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | trans | -179.4 | 110.2 | 137.3 | -111.5 | -25.2 | 0 | 0 | 0 | 113.1 | ||||
| 867 | R | 31.3 | Very low | 28.1 | Very low | 243 Ų | 243 | 152.9 Ų | 152.9 | 92% | 0.917 | 81% | 0.812 | S | S | * | * | trans | 161.9 | 90.1 | 135.3 | -89.6 | 164.8 | 176.7 | -170.9 | -2 | 113.1 | ||||
| 868 | Q | 26.5 | Very low | 28.2 | Very low | 180 Ų | 180 | 150.7 Ų | 150.7 | 84% | 0.841 | 80% | 0.801 | S | S | * | * | trans | -95.6 | 171.2 | 151.2 | -70.3 | -169.4 | -3.1 | 0 | 0 | 110.5 | ||||
| 869 | Q | 30.2 | Very low | 28.7 | Very low | 175 Ų | 175 | 149.1 Ų | 149.1 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | 72.8 | 130.3 | 177.4 | -43.9 | 178.5 | 19.2 | 0 | 0 | 112.9 | ||||
| 870 | Q | 31.5 | Very low | 29.1 | Very low | 184 Ų | 184 | 147.9 Ų | 147.9 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | cis | -135.8 | 168.8 | 27.1 | -68 | 171.2 | -13.7 | 0 | 0 | 112.9 | ||||
| 871 | S | 25.6 | Very low | 29.5 | Very low | 130 Ų | 130 | 144.7 Ų | 144.7 | 91% | 0.909 | 79% | 0.793 | S | S | * | * | trans | -131.7 | 148.1 | 179.4 | -54.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 872 | G | 30.7 | Very low | 29.9 | Very low | 59 Ų | 59 | 143.6 Ų | 143.6 | 61% | 0.608 | 79% | 0.788 | S | S | * | * | trans | 172 | 120.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 873 | T | 29.3 | Very low | 30.4 | Very low | 131 Ų | 131 | 145.4 Ų | 145.4 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | 65.5 | 129.1 | 58.8 | 71.4 | 0 | 0 | 0 | 0 | 113 | |||||
| 874 | I | 28.2 | Very low | 30.7 | Very low | 151 Ų | 151 | 146.9 Ų | 146.9 | 77% | 0.774 | 81% | 0.805 | S | S | * | * | cis | -164.5 | 176.6 | 3.7 | -123.8 | 165.8 | 0 | 0 | 0 | 110.8 | ||||
| 875 | S | 30.8 | Very low | 30.9 | Very low | 108 Ų | 108 | 144.3 Ų | 144.3 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | trans | 92.6 | 146.8 | 160.4 | -77.5 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 876 | L | 29.6 | Very low | 30.9 | Very low | 148 Ų | 148 | 142.6 Ų | 142.6 | 78% | 0.775 | 80% | 0.8 | S | S | * | * | trans | -106.7 | 170.4 | 178.6 | -61.7 | 63.2 | 0 | 0 | 0 | 109.3 | ||||
| 877 | D | 32.8 | Very low | 31.2 | Very low | 151 Ų | 151 | 141 Ų | 141 | 81% | 0.807 | 80% | 0.801 | S | S | * | * | -161.8 | 179.5 | 109.1 | -132 | -37.3 | 0 | 0 | 0 | 113.6 | |||||
| 878 | N | 30.1 | Very low | 31 | Very low | 118 Ų | 118 | 135.1 Ų | 135.1 | 63% | 0.631 | 79% | 0.793 | S | S | * | * | trans | -108.9 | -164.9 | -160.7 | -64.6 | -84.1 | 0 | 0 | 0 | 115.6 | ||||
| 879 | T | 34.2 | Very low | 31.3 | Very low | 126 Ų | 126 | 133.5 Ų | 133.5 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | trans | 82.9 | 112.4 | 170.5 | 66 | 0 | 0 | 0 | 0 | 116 | ||||
| 880 | T | 33 | Very low | 31.1 | Very low | 119 Ų | 119 | 131 Ų | 131 | 73% | 0.73 | 79% | 0.792 | S | S | * | * | cis | 87.5 | 112.3 | 47.8 | 66.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 881 | D | 35.3 | Very low | 30.9 | Very low | 156 Ų | 156 | 128.5 Ų | 128.5 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | 177 | 165.5 | 114.2 | -91.6 | 5.8 | 0 | 0 | 0 | 114 | |||||
| 882 | D | 32.6 | Very low | 31.1 | Very low | 149 Ų | 149 | 128.2 Ų | 128.2 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | -72.5 | 164.4 | -171.2 | -63 | -52 | 0 | 0 | 0 | 116 | ||||
| 883 | T | 35.2 | Very low | 30.9 | Very low | 146 Ų | 146 | 131.7 Ų | 131.7 | 90% | 0.896 | 79% | 0.792 | S | S | * | * | -178.2 | 160.5 | 107.9 | 27.9 | 0 | 0 | 0 | 0 | 114 | |||||
| 884 | V | 31.7 | Very low | 30.8 | Very low | 138 Ų | 138 | 132.1 Ų | 132.1 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | trans | -106.4 | 139.4 | -172 | 175 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 885 | A | 34.7 | Very low | 30.8 | Very low | 104 Ų | 104 | 131.8 Ų | 131.8 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | -150.5 | 125.9 | 159.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 886 | T | 28.2 | Very low | 30.8 | Very low | 120 Ų | 120 | 131.2 Ų | 131.2 | 74% | 0.736 | 80% | 0.802 | S | S | * | * | trans | -91.4 | 143.9 | 177.9 | -49.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 887 | S | 33.4 | Very low | 30.7 | Very low | 124 Ų | 124 | 127.8 Ų | 127.8 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | trans | -156.1 | 135 | 155.5 | -81.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 888 | T | 27.8 | Very low | 30.5 | Very low | 121 Ų | 121 | 127.2 Ų | 127.2 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | trans | -108.1 | 137 | -175.3 | -39.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 889 | T | 32.1 | Very low | 30.4 | Very low | 145 Ų | 145 | 127.1 Ų | 127.1 | 89% | 0.89 | 81% | 0.81 | S | S | * | * | trans | -153.4 | 147.4 | 156.3 | -1.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 890 | T | 26.2 | Very low | 30.1 | Very low | 122 Ų | 122 | 127.4 Ų | 127.4 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | trans | -102.3 | 143.4 | -173.7 | 51.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 891 | T | 28.5 | Very low | 29.7 | Very low | 132 Ų | 132 | 133.3 Ų | 133.3 | 81% | 0.81 | 82% | 0.82 | S | S | * | * | trans | -158.9 | 123.9 | 147 | 4.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 892 | T | 28.8 | Very low | 29.3 | Very low | 125 Ų | 125 | 131.8 Ų | 131.8 | 77% | 0.767 | 82% | 0.817 | S | S | * | * | trans | 41.2 | 120.2 | 142.5 | 52.7 | 0 | 0 | 0 | 0 | 122 | ||||
| 893 | T | 25.8 | Very low | 29 | Very low | 131 Ų | 131 | 130.4 Ų | 130.4 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | -46 | 137.9 | 158 | 47.7 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 894 | T | 28.8 | Very low | 28.6 | Very low | 141 Ų | 141 | 128.1 Ų | 128.1 | 87% | 0.865 | 81% | 0.805 | S | S | * | * | trans | -138.2 | 127.8 | 141.3 | -56.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 895 | T | 26.9 | Very low | 28.4 | Very low | 143 Ų | 143 | 127.4 Ų | 127.4 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | trans | -86.7 | 118.8 | -177.7 | 33.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 896 | A | 30.2 | Very low | 28.1 | Very low | 97 Ų | 97 | 128 Ų | 128 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | trans | -118.6 | 145 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 897 | G | 27.8 | Very low | 28.1 | Very low | 76 Ų | 76 | 128.3 Ų | 128.3 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 148.9 | -164.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 898 | V | 29.4 | Very low | 28 | Very low | 138 Ų | 138 | 128.9 Ų | 128.9 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 123.6 | 171.1 | 179.8 | 0 | 0 | 0 | 0 | 109.6 | V900 | V898-V900 PolarHBondContact O-N 3.4Š|
| 899 | P | 27.6 | Very low | 28.3 | Very low | 116 Ų | 116 | 128.2 Ų | 128.2 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 123.2 | 174.7 | 29.6 | -32.6 | 0 | 0 | 0 | 110.5 | R901 | P899-R901 PolarHBondContact O-N 3.49Š|
| 900 | V | 27.4 | Very low | 28.7 | Very low | 133 Ų | 133 | 125.3 Ų | 125.3 | 81% | 0.806 | 76% | 0.757 | S | S | * | * | trans | -67.7 | 115.1 | 174.1 | 176.6 | 0 | 0 | 0 | 0 | 109.2 | V898 T902 | V898-V900 PolarHBondContact O-N 3.4Å; V900-T902 PolarHBondContact O-N 3.11Å | ||
| 901 | R | 26.3 | Very low | 29.2 | Very low | 242 Ų | 242 | 127 Ų | 127 | 91% | 0.913 | 76% | 0.757 | S | S | * | * | trans | -77.2 | 105.7 | 175.4 | -161 | 177 | -167.6 | -171.6 | 2.7 | 109.5 | P899 S903 | P899-R901 PolarHBondContact O-N 3.49Å; R901-S903 PolarHBondContact O-N 2.68Å | ||
| 902 | T | 25.1 | Very low | 29.9 | Very low | 125 Ų | 125 | 128.8 Ų | 128.8 | 77% | 0.767 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -60 | 128.8 | 176.7 | 48.3 | 0 | 0 | 0 | 0 | 111.5 | V900 | V900-T902 PolarHBondContact O-N 3.11Š|
| 903 | S | 26.6 | Very low | 30.7 | Very low | 119 Ų | 119 | 126.5 Ų | 126.5 | 83% | 0.832 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 118.1 | 178.6 | 54.3 | 0 | 0 | 0 | 0 | 112.4 | R901 | R901-S903 PolarHBondContact O-N 2.68Š|
| 904 | T | 27.6 | Very low | 32.1 | Very low | 99 Ų | 99 | 126.3 Ų | 126.3 | 61% | 0.607 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 147.4 | 156.8 | 34.4 | 0 | 0 | 0 | 0 | 110.1 | D906 | T904-D906 VanDerWaalsContact CB-OD2 3.29Å; T904-D906 WeakPolarHBondContact CB-OD2 3.28Å; T904-D906 PolarHBondContact O-N 3.48Å; T904-D906 PolarHBondContact OG1-OD2 3.06Å |
| 905 | P | 26.4 | Very low | 33.8 | Very low | 123 Ų | 123 | 120.2 Ų | 120.2 | 80% | 0.799 | 69% | 0.691 | S | S | * | * | trans | -83.7 | 69 | 176.4 | 35.2 | -34.3 | 0 | 0 | 0 | 109.9 | T907 | P905-T907 PolarHBondContact O-N 2.89Å; P905-T907 VanDerWaalsContact O-N 3.15Å | ||
| 906 | D | 29.5 | Very low | 35.6 | Very low | 115 Ų | 115 | 115.8 Ų | 115.8 | 62% | 0.615 | 66% | 0.664 | S | S | * | * | trans | -73.9 | 106.1 | 177.7 | -64.5 | -64.5 | 0 | 0 | 0 | 109.8 | T904 E908 | T904-D906 VanDerWaalsContact CB-OD2 3.29Å; T904-D906 WeakPolarHBondContact CB-OD2 3.28Å; T904-D906 PolarHBondContact O-N 3.48Å; T904-D906 PolarHBondContact OG1-OD2 3.06Å; D906-E908 VanDerWaalsContact C-N 3.31Å; D906-E908 PolarHBondContact O-N 3.07Å | ||
| 907 | T | 28.2 | Very low | 37.4 | Very low | 127 Ų | 127 | 115.7 Ų | 115.7 | 78% | 0.779 | 66% | 0.656 | S | S | * | * | trans | -72.7 | 84 | 178.5 | -39.2 | 0 | 0 | 0 | 0 | 109.4 | P905 V909 | P905-T907 PolarHBondContact O-N 2.89Å; P905-T907 VanDerWaalsContact O-N 3.15Å; T907-V909 VanDerWaalsContact C-N 3.3Å; T907-V909 HydrophobicContact CG2-CG2 4.41Å; T907-V909 PolarHBondContact O-N 2.83Å | ||
| 908 | E | 31.8 | Very low | 39.4 | Very low | 136 Ų | 136 | 112.7 Ų | 112.7 | 64% | 0.636 | 62% | 0.622 | S | S | * | * | trans | -63.3 | 93 | 169.4 | -72.6 | -179.5 | 131.3 | 0 | 0 | 109.2 | D906 D910 R941 | D906-E908 VanDerWaalsContact C-N 3.31Å; D906-E908 PolarHBondContact O-N 3.07Å; E908-D910 PolarHBondContact O-N 3.21Å; E908-R941 IonicContact OE2-NH1 3.92Å | ||
| 909 | V | 32.5 | Very low | 41.3 | Very low | 107 Ų | 107 | 112.6 Ų | 112.6 | 65% | 0.648 | 61% | 0.613 | S | S | * | * | trans | -72.7 | 82.4 | 166.5 | -168.4 | 0 | 0 | 0 | 0 | 107 | T907 E911 | T907-V909 VanDerWaalsContact C-N 3.3Å; T907-V909 HydrophobicContact CG2-CG2 4.41Å; T907-V909 PolarHBondContact O-N 2.83Å; V909-E911 HydrophobicContact CG1-CG 3.69Å; V909-E911 PolarHBondContact O-N 2.99Å | ||
| 910 | D | 41.2 | Very low | 42.7 | Very low | 85 Ų | 85 | 112.3 Ų | 112.3 | 46% | 0.455 | 60% | 0.602 | S | S | . | * | trans | -55.6 | 81.1 | 150.5 | -96.2 | -69.9 | 0 | 0 | 0 | 107.1 | E908 E912 R1100 | E908-D910 PolarHBondContact O-N 3.21Å; D910-E912 PolarHBondContact O-N 3.45Å; D910-R1100 IonicContact OD1-CZ 2.7Å; D910-R1100 IonicContact OD1-NH2 3.56Å; D910-R1100 PolarHBondContact OD1-NH2 2.82Å; D910-R1100 IonicContact OD2-CZ 3.33Å; D910-R1100 IonicContact OD2-NE 3.13Å; D910-R1100 IonicContact OD2-NH2 3.21Å; D910-R1100 PolarHBondContact OD2-NH2 3.11Å | ||
| 911 | E | 36.3 | Very low | 44.7 | Very low | 157 Ų | 157 | 110 Ų | 110 | 73% | 0.734 | 59% | 0.585 | S | S | * | * | trans | -53.3 | 129.4 | 178 | -74.2 | -169.6 | 152.2 | 0 | 0 | 108.7 | V909 F913 | V909-E911 HydrophobicContact CG1-CG 3.69Å; V909-E911 PolarHBondContact O-N 2.99Å; E911-F913 PolarHBondContact O-N 2.86Å | ||
| 912 | E | 43.6 | Very low | 47.1 | Very low | 169 Ų | 169 | 99.5 Ų | 99.5 | 79% | 0.79 | 55% | 0.546 | S | S | * | . | trans | -74.8 | 77.4 | -173.8 | -168.4 | 161.3 | -161.1 | 0 | 0 | 109.1 | D910 N914 | D910-E912 PolarHBondContact O-N 3.45Å; E912-N914 PolarHBondContact O-N 2.83Å; E912-N914 VanDerWaalsContact O-N 3.08Å | ||
| 913 | F | 46.4 | Very low | 49.7 | Very low | 77 Ų | 77 | 94.9 Ų | 94.9 | 34% | 0.338 | 52% | 0.518 | S | S | . | . | trans | -51.5 | 116.6 | -179.8 | 176.7 | -98.6 | 0 | 0 | 0 | 109 | L852 E911 F915 | L852-F913 HydrophobicContact CB-CE2 3.91Å; L852-F913 HydrophobicContact CB-CZ 3.81Å; L852-F913 HydrophobicContact CD1-CE1 4.47Å; L852-F913 HydrophobicContact CD1-CE2 4.37Å; L852-F913 HydrophobicContact CD1-CZ 3.75Å; L852-F913 HydrophobicContact CG-CZ 4.41Å; E911-F913 PolarHBondContact O-N 2.86Å; F913-F915 HydrophobicContact CD1-CB 4.04Å; F913-F915 AromaticContact CD1-CD2 3.94Å; F913-F915 HydrophobicContact CD1-CD2 3.94Å; F913-F915 HydrophobicContact CD1-CG 4.33Å; F913-F915 HydrophobicContact CE1-CB 4.16Å; F913-F915 AromaticContact CE1-CD2 3.89Å; F913-F915 HydrophobicContact CE1-CD2 3.89Å; F913-F915 HydrophobicContact CE1-CG 4.17Å; F913-F915 PolarHBondContact O-N 3.42Å | ||
| 914 | N | 54 | Low | 52.5 | Low | 127 Ų | 127 | 89.4 Ų | 89.4 | 68% | 0.679 | 48% | 0.479 | S | S | * | . | trans | -72.6 | 76.2 | -178.7 | -171.3 | 34 | 0 | 0 | 0 | 109.6 | E912 | E912-N914 PolarHBondContact O-N 2.83Å; E912-N914 VanDerWaalsContact O-N 3.08Å | ||
| 915 | F | 65.2 | Low | 55.2 | Low | 14 Ų | 14 | 84.7 Ų | 84.7 | 6% | 0.061 | 45% | 0.451 | C | S | . | . | P | Polyproline II helix | trans | -57.9 | 119.3 | -177.3 | -155.1 | -72 | 0 | 0 | 0 | 108.5 | F913 M925 A928 H929 H932 A953 A957 | F913-F915 HydrophobicContact CD1-CB 4.04Å; F913-F915 AromaticContact CD1-CD2 3.94Å; F913-F915 HydrophobicContact CD1-CD2 3.94Å; F913-F915 HydrophobicContact CD1-CG 4.33Å; F913-F915 HydrophobicContact CE1-CB 4.16Å; F913-F915 AromaticContact CE1-CD2 3.89Å; F913-F915 HydrophobicContact CE1-CD2 3.89Å; F913-F915 HydrophobicContact CE1-CG 4.17Å; F913-F915 PolarHBondContact O-N 3.42Å; F915-M925 HydrophobicContact CE1-SD 4.02Å; F915-A928 HydrophobicContact CE1-CB 4.21Å; F915-A928 HydrophobicContact CZ-CB 3.96Å; F915-H929 HydrophobicContact CD1-CB 4.16Å; F915-H929 AromaticContact CD1-CD2 3.84Å; F915-H929 HydrophobicContact CE1-CB 3.97Å; F915-H932 HydrophobicContact CD2-CB 3.77Å; F915-H932 AromaticContact CD2-CD2 3.75Å; F915-H932 AromaticContact CD2-CE1 3.92Å; F915-H932 AromaticContact CD2-CG 3.34Å; F915-H932 AromaticContact CD2-ND1 3.47Å; F915-H932 WeakPolarHBondContact CD2-ND1 3.44Å; F915-H932 HydrophobicContact CE1-CB 4.47Å; F915-H932 HydrophobicContact CE2-CB 3.63Å; F915-H932 AromaticContact CE2-CG 3.7Å; F915-H932 AromaticContact CE2-ND1 3.84Å; F915-H932 HydrophobicContact CG-CB 4.25Å; F915-H932 AromaticContact CG-CD2 3.87Å; F915-H932 AromaticContact CG-CG 3.86Å; F915-H932 HydrophobicContact CZ-CB 3.98Å; F915-A953 HydrophobicContact CE2-CB 4.48Å; F915-A957 HydrophobicContact CE1-CB 4.09Å; F915-A957 HydrophobicContact CE2-CB 4.46Å; F915-A957 HydrophobicContact CZ-CB 3.72Å |
| 916 | P | 65 | Low | 57.7 | Low | 49 Ų | 49 | 79.3 Ų | 79.3 | 32% | 0.318 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 131.2 | -168.8 | 22.7 | -33 | 0 | 0 | 0 | 110.2 | M925 | P916-M925 HydrophobicContact CG-CE 4.18Å; P916-M925 HydrophobicContact CG-SD 4.16Å |
| 917 | P | 66.7 | Low | 60.1 | Low | 95 Ų | 95 | 74 Ų | 74 | 62% | 0.617 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 134.4 | 175 | 26.9 | -33.3 | 0 | 0 | 0 | 108.8 | E919 | P917-E919 PolarHBondContact O-N 3.04Š|
| 918 | P | 70.4 | Confident | 63 | Low | 13 Ų | 13 | 68 Ų | 68 | 8% | 0.084 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 130.4 | -179.4 | 29.5 | -35.9 | 0 | 0 | 0 | 110.5 | P290 M925 A926 H929 | P290-P918 HydrophobicContact CG-CG 4.36Å; P918-M925 HydrophobicContact CB-CB 4.13Å; P918-M925 HydrophobicContact CB-CG 4.05Å; P918-A926 HydrophobicContact CB-CB 3.95Å; P918-A926 HydrophobicContact CG-CB 4.08Å; P918-H929 HydrophobicContact CG-CB 4.42Å |
| 919 | E | 69.4 | Low | 65.4 | Low | 137 Ų | 137 | 63.2 Ų | 63.2 | 64% | 0.64 | 33% | 0.329 | S | S | * | . | P | Polyproline II helix | trans | -71 | 160.9 | 163.8 | -56.1 | 174.1 | 149.9 | 0 | 0 | 110.2 | P917 N921 Q922 | P917-E919 PolarHBondContact O-N 3.04Å; E919-N921 VanDerWaalsContact C-N 3.26Å; E919-N921 PolarHBondContact O-N 3.43Å; E919-Q922 HydrophobicContact CB-CG 3.99Å; E919-Q922 VanDerWaalsContact CD-NE2 3.32Å; E919-Q922 WeakPolarHBondContact O-CB 3.39Å; E919-Q922 PolarHBondContact O-N 3.31Å; E919-Q922 PolarHBondContact OE2-NE2 2.88Å |
| 920 | E | 57.7 | Low | 67.5 | Low | 110 Ų | 110 | 58.4 Ų | 58.4 | 51% | 0.514 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -36.6 | -172.7 | -164.9 | 152.1 | -154.3 | 0 | 0 | 113 | H261 Q922 | H261-E920 IonicContact CE1-OE1 2.76Å; H261-E920 PolarHBondContact CE1-OE1 3.23Å; H261-E920 VanDerWaalsContact CE1-OE1 3.24Å; H261-E920 IonicContact ND1-OE1 2.9Å; E920-Q922 VanDerWaalsContact C-N 3.26Å; E920-Q922 PolarHBondContact O-N 3.04Å |
| 921 | N | 67.9 | Low | 69.6 | Low | 84 Ų | 84 | 54.4 Ų | 54.4 | 45% | 0.449 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 17.9 | 178.7 | -60.2 | -5.2 | 0 | 0 | 0 | 113.5 | H260 E919 P923 | H260-N921 PolarHBondContact CD2-OD1 3.49Å; H260-N921 VanDerWaalsContact CD2-OD1 3.23Å; E919-N921 VanDerWaalsContact C-N 3.26Å; E919-N921 PolarHBondContact O-N 3.43Å; N921-P923 VanDerWaalsContact C-CD 3.42Å; N921-P923 VanDerWaalsContact O-CD 3.3Å; N921-P923 WeakPolarHBondContact O-CD 3.35Å |
| 922 | Q | 78.4 | Confident | 72 | Confident | 21 Ų | 21 | 48.7 Ų | 48.7 | 10% | 0.098 | 25% | 0.252 | C | S | . | . | trans | -119.2 | 65.3 | -176.7 | -57.8 | -170.7 | 21.7 | 0 | 0 | 113.8 | E919 E920 I924 M925 A926 R964 | E919-Q922 HydrophobicContact CB-CG 3.99Å; E919-Q922 VanDerWaalsContact CD-NE2 3.32Å; E919-Q922 WeakPolarHBondContact O-CB 3.39Å; E919-Q922 PolarHBondContact O-N 3.31Å; E919-Q922 PolarHBondContact OE2-NE2 2.88Å; E920-Q922 VanDerWaalsContact C-N 3.26Å; E920-Q922 PolarHBondContact O-N 3.04Å; Q922-I924 PolarHBondContact O-N 3.28Å; Q922-M925 HydrophobicContact CB-CB 3.88Å; Q922-M925 PolarHBondContact O-N 3.18Å; Q922-A926 PolarHBondContact O-N 3.17Å; Q922-R964 VanDerWaalsContact CG-NH1 3.28Å | ||
| 923 | P | 78.6 | Confident | 73.7 | Confident | 28 Ų | 28 | 42 Ų | 42 | 18% | 0.182 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.4 | -33.7 | -172.7 | 24.8 | -35 | 0 | 0 | 0 | 114.7 | N921 A926 A927 V1063 | N921-P923 VanDerWaalsContact C-CD 3.42Å; N921-P923 VanDerWaalsContact O-CD 3.3Å; N921-P923 WeakPolarHBondContact O-CD 3.35Å; P923-A926 PolarHBondContact O-N 2.97Å; P923-A927 PolarHBondContact O-N 3.38Å; P923-A927 VanDerWaalsContact O-N 3.09Å; P923-V1063 HydrophobicContact CB-CG1 3.64Å; P923-V1063 HydrophobicContact CG-CB 4.47Å; P923-V1063 HydrophobicContact CG-CG1 3.53Å; P923-V1063 HydrophobicContact CG-CG2 4.01Å |
| 924 | I | 85 | Confident | 75 | Confident | 4 Ų | 4 | 39.9 Ų | 39.9 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -69.7 | -41.5 | 176 | -55 | 178.7 | 0 | 0 | 0 | 110.6 | Q922 A926 A927 A928 M956 V963 V1063 A1066 | Q922-I924 PolarHBondContact O-N 3.28Å; I924-A926 VanDerWaalsContact C-N 3.3Å; I924-A926 PolarHBondContact O-N 2.91Å; I924-A927 WeakPolarHBondContact O-CB 3.32Å; I924-A927 PolarHBondContact O-N 3.24Å; I924-A928 PolarHBondContact O-N 3.36Å; I924-M956 HydrophobicContact CG2-CG 3.88Å; I924-M956 HydrophobicContact CG2-SD 3.59Å; I924-M956 VanDerWaalsContact CG2-SD 3.59Å; I924-V963 HydrophobicContact CD1-CB 4.44Å; I924-V963 HydrophobicContact CD1-CG1 4.26Å; I924-V963 HydrophobicContact CD1-CG2 4.38Å; I924-V1063 HydrophobicContact CD1-CG2 3.95Å; I924-V1063 HydrophobicContact CG1-CB 4.41Å; I924-V1063 HydrophobicContact CG1-CG2 3.87Å; I924-A1066 HydrophobicContact CG1-CB 4.24Å; I924-A1066 HydrophobicContact CG2-CB 4.11Å |
| 925 | M | 85.5 | Confident | 76.5 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.5 | -37.2 | 173.8 | -168.4 | 61.5 | 77 | 0 | 0 | 111.3 | F915 P916 P918 Q922 A927 A928 H929 A957 S960 Q961 | F915-M925 HydrophobicContact CE1-SD 4.02Å; P916-M925 HydrophobicContact CG-CE 4.18Å; P916-M925 HydrophobicContact CG-SD 4.16Å; P918-M925 HydrophobicContact CB-CB 4.13Å; P918-M925 HydrophobicContact CB-CG 4.05Å; Q922-M925 HydrophobicContact CB-CB 3.88Å; Q922-M925 PolarHBondContact O-N 3.18Å; M925-A927 VanDerWaalsContact C-N 3.34Å; M925-A927 PolarHBondContact O-N 2.73Å; M925-A928 PolarHBondContact O-N 3Å; M925-H929 VanDerWaalsContact O-CB 3.26Å; M925-H929 WeakPolarHBondContact O-CB 3.44Å; M925-H929 PolarHBondContact O-N 2.93Å; M925-A957 HydrophobicContact CE-CB 4.02Å; M925-A957 HydrophobicContact SD-CB 3.69Å; M925-S960 PolarHBondContact N-OG 3.3Å; M925-Q961 HydrophobicContact CE-CG 3.77Å |
| 926 | A | 77.7 | Confident | 77.2 | Confident | 10 Ų | 10 | 37.2 Ų | 37.2 | 8% | 0.083 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.6 | -38.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | L266 P918 Q922 P923 I924 A930 | L266-A926 HydrophobicContact CD1-CB 3.82Å; P918-A926 HydrophobicContact CB-CB 3.95Å; P918-A926 HydrophobicContact CG-CB 4.08Å; Q922-A926 PolarHBondContact O-N 3.17Å; P923-A926 PolarHBondContact O-N 2.97Å; I924-A926 VanDerWaalsContact C-N 3.3Å; I924-A926 PolarHBondContact O-N 2.91Å; A926-A930 WeakPolarHBondContact O-CB 3.44Å; A926-A930 PolarHBondContact O-N 3.5Å |
| 927 | A | 81.6 | Confident | 77.7 | Confident | 4 Ų | 4 | 36.7 Ų | 36.7 | 3% | 0.033 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.4 | -43 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | P923 I924 M925 A930 L931 Q1067 M1070 | P923-A927 PolarHBondContact O-N 3.38Å; P923-A927 VanDerWaalsContact O-N 3.09Å; I924-A927 WeakPolarHBondContact O-CB 3.32Å; I924-A927 PolarHBondContact O-N 3.24Å; M925-A927 VanDerWaalsContact C-N 3.34Å; M925-A927 PolarHBondContact O-N 2.73Å; A927-A930 WeakPolarHBondContact O-CB 3.48Å; A927-A930 PolarHBondContact O-N 2.9Å; A927-L931 PolarHBondContact O-N 2.7Å; A927-Q1067 HydrophobicContact CB-CG 4.16Å; A927-M1070 HydrophobicContact CB-CB 4.03Å; A927-M1070 HydrophobicContact CB-CG 3.87Å |
| 928 | A | 87.3 | Confident | 78.4 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.2 | -47.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F915 I924 M925 A930 L931 H932 M956 A957 | F915-A928 HydrophobicContact CE1-CB 4.21Å; F915-A928 HydrophobicContact CZ-CB 3.96Å; I924-A928 PolarHBondContact O-N 3.36Å; M925-A928 PolarHBondContact O-N 3Å; A928-A930 VanDerWaalsContact C-N 3.3Å; A928-A930 PolarHBondContact O-N 3.31Å; A928-L931 PolarHBondContact O-N 3.28Å; A928-H932 PolarHBondContact O-N 3.48Å; A928-M956 HydrophobicContact CB-CB 3.81Å; A928-M956 HydrophobicContact CB-CG 3.92Å; A928-A957 HydrophobicContact CB-CB 4.15Å |
| 929 | H | 82.4 | Confident | 78.9 | Confident | 36 Ų | 36 | 33.2 Ų | 33.2 | 17% | 0.167 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.4 | -32.9 | 176.2 | -177.5 | -97.9 | 0 | 0 | 0 | 112 | F915 P918 M925 H932 H933 | F915-H929 HydrophobicContact CD1-CB 4.16Å; F915-H929 AromaticContact CD1-CD2 3.84Å; F915-H929 HydrophobicContact CE1-CB 3.97Å; P918-H929 HydrophobicContact CG-CB 4.42Å; M925-H929 VanDerWaalsContact O-CB 3.26Å; M925-H929 WeakPolarHBondContact O-CB 3.44Å; M925-H929 PolarHBondContact O-N 2.93Å; H929-H932 PolarHBondContact O-N 3.3Å; H929-H933 VanDerWaalsContact O-CB 3.32Å; H929-H933 WeakPolarHBondContact O-CB 3.48Å; H929-H933 PolarHBondContact O-N 3.11Å |
| 930 | A | 77.6 | Confident | 79.7 | Confident | 6 Ų | 6 | 28.2 Ų | 28.2 | 5% | 0.05 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.3 | -48.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | R282 A926 A927 A928 H933 E934 I1074 | R282-A930 VanDerWaalsContact NH2-CB 3.26Å; A926-A930 WeakPolarHBondContact O-CB 3.44Å; A926-A930 PolarHBondContact O-N 3.5Å; A927-A930 WeakPolarHBondContact O-CB 3.48Å; A927-A930 PolarHBondContact O-N 2.9Å; A928-A930 VanDerWaalsContact C-N 3.3Å; A928-A930 PolarHBondContact O-N 3.31Å; A930-H933 WeakPolarHBondContact O-CB 3.43Å; A930-H933 PolarHBondContact O-N 3.24Å; A930-E934 PolarHBondContact O-N 2.9Å; A930-I1074 HydrophobicContact CB-CD1 4.08Å |
| 931 | L | 85.7 | Confident | 80.6 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -68.3 | -37.3 | 177.4 | -179.2 | 61.4 | 0 | 0 | 0 | 111.8 | A927 A928 H933 E934 T935 T949 M952 A953 M1070 V1073 I1074 L1077 | A927-L931 PolarHBondContact O-N 2.7Å; A928-L931 PolarHBondContact O-N 3.28Å; L931-H933 VanDerWaalsContact C-N 3.34Å; L931-H933 PolarHBondContact O-N 3.43Å; L931-E934 PolarHBondContact O-N 3.28Å; L931-T935 HydrophobicContact CD1-CG2 3.82Å; L931-T935 HydrophobicContact CG-CG2 4.21Å; L931-T935 WeakPolarHBondContact O-CB 3.17Å; L931-T935 VanDerWaalsContact O-CG2 3.31Å; L931-T935 WeakPolarHBondContact O-CG2 3.47Å; L931-T935 PolarHBondContact O-N 2.95Å; L931-T935 PolarHBondContact O-OG1 3.11Å; L931-T949 WeakPolarHBondContact CD2-O 3.35Å; L931-M952 HydrophobicContact CD2-CB 3.91Å; L931-A953 HydrophobicContact CB-CB 4.17Å; L931-A953 HydrophobicContact CD2-CB 4.17Å; L931-A953 HydrophobicContact CG-CB 4.07Å; L931-M1070 HydrophobicContact CB-SD 4.06Å; L931-M1070 HydrophobicContact CD2-CE 3.89Å; L931-M1070 HydrophobicContact CD2-SD 3.52Å; L931-M1070 VanDerWaalsContact CD2-SD 3.52Å; L931-M1070 HydrophobicContact CG-SD 4.44Å; L931-V1073 HydrophobicContact CD1-CB 4.24Å; L931-V1073 HydrophobicContact CD1-CG1 3.63Å; L931-V1073 HydrophobicContact CD2-CB 4.32Å; L931-V1073 HydrophobicContact CD2-CG1 3.85Å; L931-V1073 HydrophobicContact CG-CG1 4.43Å; L931-I1074 HydrophobicContact CB-CG1 4.42Å; L931-I1074 HydrophobicContact CD1-CG1 3.79Å; L931-L1077 HydrophobicContact CD1-CD1 4Å |
| 932 | H | 85.9 | Confident | 81.1 | Confident | 37 Ų | 37 | 30.7 Ų | 30.7 | 17% | 0.171 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.5 | -43.2 | 172.6 | -178.1 | 75 | 0 | 0 | 0 | 111.8 | F915 A928 H929 E934 T935 R936 A953 | F915-H932 HydrophobicContact CD2-CB 3.77Å; F915-H932 AromaticContact CD2-CD2 3.75Å; F915-H932 AromaticContact CD2-CE1 3.92Å; F915-H932 AromaticContact CD2-CG 3.34Å; F915-H932 AromaticContact CD2-ND1 3.47Å; F915-H932 WeakPolarHBondContact CD2-ND1 3.44Å; F915-H932 HydrophobicContact CE1-CB 4.47Å; F915-H932 HydrophobicContact CE2-CB 3.63Å; F915-H932 AromaticContact CE2-CG 3.7Å; F915-H932 AromaticContact CE2-ND1 3.84Å; F915-H932 HydrophobicContact CG-CB 4.25Å; F915-H932 AromaticContact CG-CD2 3.87Å; F915-H932 AromaticContact CG-CG 3.86Å; F915-H932 HydrophobicContact CZ-CB 3.98Å; A928-H932 PolarHBondContact O-N 3.48Å; H929-H932 PolarHBondContact O-N 3.3Å; H932-E934 VanDerWaalsContact C-N 3.28Å; H932-E934 PolarHBondContact O-N 2.88Å; H932-T935 WeakPolarHBondContact CA-OG1 3.45Å; H932-T935 PolarHBondContact O-N 3.28Å; H932-T935 PolarHBondContact O-OG1 3.43Å; H932-R936 WeakPolarHBondContact O-CB 3.2Å; H932-R936 VanDerWaalsContact O-CG 3.31Å; H932-R936 WeakPolarHBondContact O-CG 3.44Å; H932-R936 PolarHBondContact O-N 2.96Å; H932-A953 HydrophobicContact CB-CB 4.07Å |
| 933 | H | 79 | Confident | 81.5 | Confident | 30 Ų | 30 | 29.8 Ų | 29.8 | 14% | 0.139 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.2 | -38.9 | 179 | -173.7 | -75.4 | 0 | 0 | 0 | 112.6 | H929 A930 L931 R936 | H929-H933 VanDerWaalsContact O-CB 3.32Å; H929-H933 WeakPolarHBondContact O-CB 3.48Å; H929-H933 PolarHBondContact O-N 3.11Å; A930-H933 WeakPolarHBondContact O-CB 3.43Å; A930-H933 PolarHBondContact O-N 3.24Å; L931-H933 VanDerWaalsContact C-N 3.34Å; L931-H933 PolarHBondContact O-N 3.43Å; H933-R936 PolarHBondContact CD2-NH2 2.92Å; H933-R936 PolarHBondContact NE2-NH2 3.29Å; H933-R936 WeakPolarHBondContact O-CG 3.42Å |
| 934 | E | 75 | Confident | 82 | Confident | 31 Ų | 31 | 35.4 Ų | 35.4 | 15% | 0.145 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -80.2 | -41 | -179.2 | -159.4 | 61.3 | -162.3 | 0 | 0 | 112.2 | A930 L931 H932 L937 I1074 H1078 R1121 | A930-E934 PolarHBondContact O-N 2.9Å; L931-E934 PolarHBondContact O-N 3.28Å; H932-E934 VanDerWaalsContact C-N 3.28Å; H932-E934 PolarHBondContact O-N 2.88Å; E934-L937 WeakPolarHBondContact O-CB 3.28Å; E934-L937 PolarHBondContact O-N 3.46Å; E934-I1074 HydrophobicContact CG-CG2 4.44Å; E934-H1078 IonicContact OE1-CD2 2.68Å; E934-H1078 IonicContact OE1-CE1 3.34Å; E934-H1078 IonicContact OE1-NE2 3.4Å; E934-H1078 PolarHBondContact OE1-NE2 3.37Å; E934-R1121 IonicContact OE1-CZ 3.23Å; E934-R1121 IonicContact OE1-NE 2.76Å; E934-R1121 IonicContact OE1-NH2 2.7Å; E934-R1121 PolarHBondContact OE1-NH2 2.85Å |
| 935 | T | 83.8 | Confident | 82.3 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -74.2 | -28.3 | -177.7 | 54.5 | 0 | 0 | 0 | 0 | 113.8 | L931 H932 L937 W938 T949 K950 L1077 | L931-T935 HydrophobicContact CD1-CG2 3.82Å; L931-T935 HydrophobicContact CG-CG2 4.21Å; L931-T935 WeakPolarHBondContact O-CB 3.17Å; L931-T935 VanDerWaalsContact O-CG2 3.31Å; L931-T935 WeakPolarHBondContact O-CG2 3.47Å; L931-T935 PolarHBondContact O-N 2.95Å; L931-T935 PolarHBondContact O-OG1 3.11Å; H932-T935 WeakPolarHBondContact CA-OG1 3.45Å; H932-T935 PolarHBondContact O-N 3.28Å; H932-T935 PolarHBondContact O-OG1 3.43Å; T935-L937 PolarHBondContact O-N 3.32Å; T935-W938 PolarHBondContact O-N 3.19Å; T935-T949 VanDerWaalsContact CG2-OG1 3.27Å; T935-T949 WeakPolarHBondContact CG2-OG1 3.42Å; T935-K950 WeakPolarHBondContact O-CE 3.42Å; T935-L1077 HydrophobicContact CG2-CD1 3.59Å |
| 936 | R | 80.6 | Confident | 82.6 | Confident | 85 Ų | 85 | 35.1 Ų | 35.1 | 32% | 0.321 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -19.8 | 175.9 | 73.8 | -175.6 | -176.8 | 162.5 | 0.1 | 113.9 | H932 H933 W938 R1100 | H932-R936 WeakPolarHBondContact O-CB 3.2Å; H932-R936 VanDerWaalsContact O-CG 3.31Å; H932-R936 WeakPolarHBondContact O-CG 3.44Å; H932-R936 PolarHBondContact O-N 2.96Å; H933-R936 PolarHBondContact CD2-NH2 2.92Å; H933-R936 PolarHBondContact NE2-NH2 3.29Å; H933-R936 WeakPolarHBondContact O-CG 3.42Å; R936-W938 PolarHBondContact O-N 3.37Å; R936-R1100 WeakPolarHBondContact O-CD 3.48Å |
| 937 | L | 75.9 | Confident | 83.2 | Confident | 38 Ų | 38 | 36.6 Ų | 36.6 | 20% | 0.199 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -21.2 | 176.3 | -61.8 | 171.9 | 0 | 0 | 0 | 112 | E934 T935 P1099 R1100 R1121 | E934-L937 WeakPolarHBondContact O-CB 3.28Å; E934-L937 PolarHBondContact O-N 3.46Å; T935-L937 PolarHBondContact O-N 3.32Å; L937-P1099 CarbonylContact O-C 3.47Å; L937-P1099 WeakPolarHBondContact O-CA 3.34Å; L937-R1100 PolarHBondContact O-N 2.94Å; L937-R1121 VanDerWaalsContact CD1-NH2 3.35Å |
| 938 | W | 80.8 | Confident | 83.8 | Confident | 11 Ų | 11 | 36.5 Ų | 36.5 | 4% | 0.042 | 18% | 0.178 | C | C | . | . | B | Isolated β-bridge | trans | -112.6 | 147.6 | -172.7 | -60.7 | 116 | 0 | 0 | 0 | 112.9 | T935 R936 I946 K950 E1081 W1097 P1099 | T935-W938 PolarHBondContact O-N 3.19Å; R936-W938 PolarHBondContact O-N 3.37Å; W938-I946 HydrophobicContact CB-CD1 3.75Å; W938-I946 HydrophobicContact CB-CG1 3.9Å; W938-I946 HydrophobicContact CB-CG2 3.99Å; W938-I946 HydrophobicContact CG-CD1 3.89Å; W938-I946 HydrophobicContact CG-CG1 4.39Å; W938-K950 PolarHBondContact O-NZ 3.19Å; W938-E1081 VanDerWaalsContact CH2-OE1 3.24Å; W938-E1081 WeakPolarHBondContact CH2-OE1 3.48Å; W938-E1081 VanDerWaalsContact CZ2-CD 3.41Å; W938-E1081 HydrophobicContact CZ2-CG 4.33Å; W938-E1081 VanDerWaalsContact CZ2-OE1 3.23Å; W938-E1081 WeakPolarHBondContact CZ2-OE1 3.45Å; W938-E1081 WeakPolarHBondContact CZ2-OE2 3.32Å; W938-W1097 AromaticContact CD2-CE3 3.74Å; W938-W1097 HydrophobicContact CD2-CE3 3.74Å; W938-W1097 HydrophobicContact CD2-CZ3 4.22Å; W938-W1097 AromaticContact CE2-CE3 3.6Å; W938-W1097 AromaticContact CE2-CZ3 3.87Å; W938-W1097 HydrophobicContact CE3-CB 4.29Å; W938-W1097 HydrophobicContact CE3-CE3 4.04Å; W938-W1097 HydrophobicContact CG-CE3 4.22Å; W938-W1097 HydrophobicContact CG-CZ3 4.34Å; W938-W1097 HydrophobicContact CH2-CB 4.16Å; W938-W1097 HydrophobicContact CH2-CE3 4.06Å; W938-W1097 AromaticContact CZ2-CE3 3.75Å; W938-W1097 HydrophobicContact CZ2-CE3 3.75Å; W938-W1097 HydrophobicContact CZ2-CZ3 4.24Å; W938-W1097 HydrophobicContact CZ3-CB 3.8Å; W938-W1097 HydrophobicContact CZ3-CE3 4.21Å; W938-W1097 WeakPolarHBondContact CZ3-O 3.31Å; W938-W1097 AromaticContact NE1-CZ3 3.82Å; W938-P1099 HydrophobicContact CE3-CG 4.42Å; W938-P1099 HydrophobicContact CZ3-CG 3.9Å |
| 939 | S | 81.8 | Confident | 84 | Confident | 24 Ų | 24 | 36.5 Ų | 36.5 | 17% | 0.168 | 18% | 0.178 | C | C | . | . | trans | -70.8 | 140.2 | 165.4 | -164.8 | 0 | 0 | 0 | 0 | 110.9 | R941 I946 N1098 | S939-R941 VanDerWaalsContact C-N 3.33Å; S939-R941 WeakPolarHBondContact OG-CB 3.3Å; S939-R941 PolarHBondContact OG-N 2.71Å; S939-I946 WeakPolarHBondContact O-CG2 3.45Å; S939-N1098 PolarHBondContact N-O 3.12Å | ||
| 940 | S | 85.4 | Confident | 84.5 | Confident | 32 Ų | 32 | 36.6 Ų | 36.6 | 22% | 0.224 | 18% | 0.178 | C | C | . | . | trans | -82.5 | -15.9 | 170.8 | 1.2 | 0 | 0 | 0 | 0 | 112 | D942 N943 K950 | S940-D942 PolarHBondContact O-N 3.03Å; S940-N943 PolarHBondContact O-N 3.42Å; S940-K950 PolarHBondContact OG-NZ 3.33Å | ||
| 941 | R | 76.7 | Confident | 85.2 | Confident | 147 Ų | 147 | 40.5 Ų | 40.5 | 56% | 0.555 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67 | 128.9 | 178.6 | -179 | 175.9 | 176.8 | 139.6 | -2 | 110.2 | E908 S939 N943 | E908-R941 IonicContact OE2-NH1 3.92Å; S939-R941 VanDerWaalsContact C-N 3.33Å; S939-R941 WeakPolarHBondContact OG-CB 3.3Å; S939-R941 PolarHBondContact OG-N 2.71Å; R941-N943 PolarHBondContact O-N 2.84Å |
| 942 | D | 79 | Confident | 85.6 | Confident | 99 Ų | 99 | 40.5 Ų | 40.5 | 53% | 0.529 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 29.5 | -176.5 | -49.4 | -48.4 | 0 | 0 | 0 | 113.1 | S940 I1096 | S940-D942 PolarHBondContact O-N 3.03Å; D942-I1096 HydrophobicContact CB-CB 4.1Å; D942-I1096 HydrophobicContact CB-CD1 3.63Å; D942-I1096 HydrophobicContact CB-CG1 3.78Å; D942-I1096 PolarHBondContact O-N 3.19Å |
| 943 | N | 86.6 | Confident | 85.8 | Confident | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.011 | 18% | 0.184 | C | C | . | . | trans | -151.2 | 85.4 | 178.4 | -166.2 | -28.3 | 0 | 0 | 0 | 112 | S940 R941 L945 I946 A947 | S940-N943 PolarHBondContact O-N 3.42Å; R941-N943 PolarHBondContact O-N 2.84Å; N943-L945 VanDerWaalsContact C-N 3.26Å; N943-L945 PolarHBondContact O-N 2.94Å; N943-L945 PolarHBondContact OD1-N 2.94Å; N943-I946 HydrophobicContact CB-CB 4.25Å; N943-I946 HydrophobicContact CB-CG1 4.35Å; N943-I946 WeakPolarHBondContact ND2-CG1 3.5Å; N943-I946 PolarHBondContact O-N 3.42Å; N943-I946 VanDerWaalsContact O-N 3.13Å; N943-I946 PolarHBondContact OD1-N 2.96Å; N943-A947 PolarHBondContact O-N 3.22Å; N943-A947 VanDerWaalsContact O-N 3.15Å | ||
| 944 | E | 89.6 | Confident | 86.4 | Confident | 146 Ų | 146 | 38.8 Ų | 38.8 | 68% | 0.682 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -59.6 | -33 | -178.5 | -64.2 | 178.5 | 158.4 | 0 | 0 | 113.1 | I946 A947 A948 | E944-I946 PolarHBondContact O-N 3.08Å; E944-A947 WeakPolarHBondContact O-CB 3.49Å; E944-A947 PolarHBondContact O-N 2.99Å; E944-A947 VanDerWaalsContact O-N 3.16Å; E944-A948 PolarHBondContact O-N 3.45Å |
| 945 | L | 91.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.9 | -42.1 | 176.3 | 178.1 | 63.2 | 0 | 0 | 0 | 111.4 | N943 A947 T949 V987 C990 L994 L1077 A1080 F1095 W1097 | N943-L945 VanDerWaalsContact C-N 3.26Å; N943-L945 PolarHBondContact O-N 2.94Å; N943-L945 PolarHBondContact OD1-N 2.94Å; L945-A947 VanDerWaalsContact C-N 3.35Å; L945-T949 HydrophobicContact CD1-CG2 4.29Å; L945-T949 WeakPolarHBondContact O-CB 3.34Å; L945-T949 VanDerWaalsContact O-CG2 3.31Å; L945-T949 WeakPolarHBondContact O-CG2 3.35Å; L945-T949 PolarHBondContact O-N 3.45Å; L945-T949 PolarHBondContact O-OG1 3.5Å; L945-V987 HydrophobicContact CD1-CB 4.36Å; L945-V987 HydrophobicContact CD1-CG1 3.94Å; L945-V987 HydrophobicContact CD1-CG2 4.23Å; L945-C990 HydrophobicContact CB-CB 3.98Å; L945-C990 HydrophobicContact CD1-CB 4.05Å; L945-L994 HydrophobicContact CD2-CD1 4.12Å; L945-L1077 HydrophobicContact CD1-CD2 4.36Å; L945-L1077 HydrophobicContact CD2-CD2 3.97Å; L945-L1077 HydrophobicContact CG-CD2 3.77Å; L945-A1080 HydrophobicContact CD2-CB 3.45Å; L945-A1080 VanDerWaalsContact CD2-CB 3.45Å; L945-F1095 HydrophobicContact CB-CD1 4.4Å; L945-F1095 HydrophobicContact CB-CE1 4.13Å; L945-W1097 HydrophobicContact CD2-CH2 4.31Å; L945-W1097 HydrophobicContact CD2-CZ2 4.33Å |
| 946 | I | 91.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -69.1 | -33 | 174.1 | -66.9 | -64.9 | 0 | 0 | 0 | 111.6 | W938 S939 N943 E944 T949 K950 L1077 W1097 | W938-I946 HydrophobicContact CB-CD1 3.75Å; W938-I946 HydrophobicContact CB-CG1 3.9Å; W938-I946 HydrophobicContact CB-CG2 3.99Å; W938-I946 HydrophobicContact CG-CD1 3.89Å; W938-I946 HydrophobicContact CG-CG1 4.39Å; S939-I946 WeakPolarHBondContact O-CG2 3.45Å; N943-I946 HydrophobicContact CB-CB 4.25Å; N943-I946 HydrophobicContact CB-CG1 4.35Å; N943-I946 WeakPolarHBondContact ND2-CG1 3.5Å; N943-I946 PolarHBondContact O-N 3.42Å; N943-I946 VanDerWaalsContact O-N 3.13Å; N943-I946 PolarHBondContact OD1-N 2.96Å; E944-I946 PolarHBondContact O-N 3.08Å; I946-T949 WeakPolarHBondContact CA-OG1 3.34Å; I946-T949 PolarHBondContact O-OG1 2.86Å; I946-K950 HydrophobicContact CG2-CD 4.11Å; I946-K950 HydrophobicContact CG2-CG 4.5Å; I946-K950 WeakPolarHBondContact O-CB 3.47Å; I946-K950 VanDerWaalsContact O-CG 3.24Å; I946-K950 WeakPolarHBondContact O-CG 3.37Å; I946-K950 PolarHBondContact O-N 3.49Å; I946-K950 VanDerWaalsContact O-N 3.09Å; I946-L1077 HydrophobicContact CD1-CD2 3.74Å; I946-W1097 HydrophobicContact CD1-CH2 4.41Å; I946-W1097 HydrophobicContact CD1-CZ3 3.93Å; I946-W1097 HydrophobicContact CG1-CZ3 4.25Å |
| 947 | A | 90.7 | Very high | 88.2 | Confident | 41 Ų | 41 | 34 Ų | 34 | 34% | 0.339 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -66.8 | -45.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | N943 E944 L945 R951 | N943-A947 PolarHBondContact O-N 3.22Å; N943-A947 VanDerWaalsContact O-N 3.15Å; E944-A947 WeakPolarHBondContact O-CB 3.49Å; E944-A947 PolarHBondContact O-N 2.99Å; E944-A947 VanDerWaalsContact O-N 3.16Å; L945-A947 VanDerWaalsContact C-N 3.35Å; A947-R951 PolarHBondContact O-N 2.99Å; A947-R951 VanDerWaalsContact O-N 3.14Å |
| 948 | A | 92.7 | Very high | 88.8 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.008 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.9 | -44.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | E944 R951 M952 D986 V987 | E944-A948 PolarHBondContact O-N 3.45Å; A948-R951 WeakPolarHBondContact O-CA 3.46Å; A948-R951 VanDerWaalsContact O-CB 3.23Å; A948-R951 WeakPolarHBondContact O-CB 3.48Å; A948-R951 PolarHBondContact O-N 3.06Å; A948-R951 VanDerWaalsContact O-N 3.1Å; A948-M952 WeakPolarHBondContact O-CG 3.31Å; A948-M952 PolarHBondContact O-N 2.99Å; A948-D986 HydrophobicContact CB-CB 3.78Å; A948-V987 HydrophobicContact CB-CG2 3.88Å |
| 949 | T | 92.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -69.8 | -33.4 | -179.8 | 52 | 0 | 0 | 0 | 0 | 113.5 | L931 T935 L945 I946 R951 M952 A953 V987 V1073 L1077 | L931-T949 WeakPolarHBondContact CD2-O 3.35Å; T935-T949 VanDerWaalsContact CG2-OG1 3.27Å; T935-T949 WeakPolarHBondContact CG2-OG1 3.42Å; L945-T949 HydrophobicContact CD1-CG2 4.29Å; L945-T949 WeakPolarHBondContact O-CB 3.34Å; L945-T949 VanDerWaalsContact O-CG2 3.31Å; L945-T949 WeakPolarHBondContact O-CG2 3.35Å; L945-T949 PolarHBondContact O-N 3.45Å; L945-T949 PolarHBondContact O-OG1 3.5Å; I946-T949 WeakPolarHBondContact CA-OG1 3.34Å; I946-T949 PolarHBondContact O-OG1 2.86Å; T949-R951 VanDerWaalsContact C-N 3.32Å; T949-R951 PolarHBondContact O-N 2.77Å; T949-M952 PolarHBondContact O-N 3.06Å; T949-A953 PolarHBondContact O-N 3.49Å; T949-A953 VanDerWaalsContact O-N 3.09Å; T949-V987 HydrophobicContact CG2-CG2 3.63Å; T949-V1073 HydrophobicContact CG2-CG1 3.29Å; T949-L1077 HydrophobicContact CG2-CD1 4.22Å; T949-L1077 HydrophobicContact CG2-CD2 3.95Å; T949-L1077 HydrophobicContact CG2-CG 4.19Å |
| 950 | K | 91.8 | Very high | 89.6 | Confident | 38 Ų | 38 | 31.7 Ų | 31.7 | 17% | 0.165 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.8 | -40.7 | 166.8 | -75.5 | 174.8 | -176.6 | 174.5 | 0 | 111.9 | T935 W938 S940 I946 A953 A954 | T935-K950 WeakPolarHBondContact O-CE 3.42Å; W938-K950 PolarHBondContact O-NZ 3.19Å; S940-K950 PolarHBondContact OG-NZ 3.33Å; I946-K950 HydrophobicContact CG2-CD 4.11Å; I946-K950 HydrophobicContact CG2-CG 4.5Å; I946-K950 WeakPolarHBondContact O-CB 3.47Å; I946-K950 VanDerWaalsContact O-CG 3.24Å; I946-K950 WeakPolarHBondContact O-CG 3.37Å; I946-K950 PolarHBondContact O-N 3.49Å; I946-K950 VanDerWaalsContact O-N 3.09Å; K950-A953 PolarHBondContact O-N 2.92Å; K950-A954 PolarHBondContact O-N 3.33Å |
| 951 | R | 93 | Very high | 89.6 | Confident | 89 Ų | 89 | 31.5 Ų | 31.5 | 34% | 0.336 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -61.7 | -44.7 | 175.3 | -154.9 | -164.9 | -52 | 143.4 | 8.8 | 111.4 | A947 A948 T949 A953 A954 L955 D986 | A947-R951 PolarHBondContact O-N 2.99Å; A947-R951 VanDerWaalsContact O-N 3.14Å; A948-R951 WeakPolarHBondContact O-CA 3.46Å; A948-R951 VanDerWaalsContact O-CB 3.23Å; A948-R951 WeakPolarHBondContact O-CB 3.48Å; A948-R951 PolarHBondContact O-N 3.06Å; A948-R951 VanDerWaalsContact O-N 3.1Å; T949-R951 VanDerWaalsContact C-N 3.32Å; T949-R951 PolarHBondContact O-N 2.77Å; R951-A953 PolarHBondContact O-N 3.47Å; R951-A954 PolarHBondContact O-N 3.01Å; R951-L955 HydrophobicContact CG-CD1 4.16Å; R951-L955 WeakPolarHBondContact O-CG 3.25Å; R951-L955 PolarHBondContact O-N 3.16Å; R951-D986 IonicContact CZ-OD2 3.45Å; R951-D986 VanDerWaalsContact CZ-OD2 3.23Å; R951-D986 IonicContact NH1-OD2 2.73Å; R951-D986 PolarHBondContact NH1-OD2 3.27Å; R951-D986 IonicContact NH2-OD2 3.22Å; R951-D986 PolarHBondContact NH2-OD2 2.96Å |
| 952 | M | 93.3 | Very high | 90 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.5 | -43.4 | 176.1 | -67.2 | -175.5 | 80.7 | 0 | 0 | 112.5 | L931 A948 T949 A954 L955 M956 I980 A983 S984 V987 L1069 M1070 V1073 | L931-M952 HydrophobicContact CD2-CB 3.91Å; A948-M952 WeakPolarHBondContact O-CG 3.31Å; A948-M952 PolarHBondContact O-N 2.99Å; T949-M952 PolarHBondContact O-N 3.06Å; M952-A954 PolarHBondContact O-N 3.42Å; M952-L955 PolarHBondContact O-N 3.35Å; M952-M956 VanDerWaalsContact O-CB 3.32Å; M952-M956 WeakPolarHBondContact O-CB 3.48Å; M952-M956 PolarHBondContact O-N 3.16Å; M952-I980 HydrophobicContact CE-CG2 4.3Å; M952-A983 HydrophobicContact CG-CB 3.51Å; M952-A983 HydrophobicContact SD-CB 4.46Å; M952-S984 WeakPolarHBondContact CE-OG 3.31Å; M952-V987 HydrophobicContact SD-CG2 3.72Å; M952-L1069 HydrophobicContact CE-CD1 4.26Å; M952-L1069 HydrophobicContact CE-CD2 4Å; M952-L1069 HydrophobicContact CE-CG 4.05Å; M952-M1070 HydrophobicContact CB-CE 4.12Å; M952-M1070 HydrophobicContact CE-CE 3.9Å; M952-V1073 HydrophobicContact CE-CG2 3.72Å; M952-V1073 HydrophobicContact SD-CG1 4.28Å; M952-V1073 HydrophobicContact SD-CG2 3.82Å |
| 953 | A | 91.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.3 | -43.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F915 L931 H932 T949 K950 R951 M956 A957 | F915-A953 HydrophobicContact CE2-CB 4.48Å; L931-A953 HydrophobicContact CB-CB 4.17Å; L931-A953 HydrophobicContact CD2-CB 4.17Å; L931-A953 HydrophobicContact CG-CB 4.07Å; H932-A953 HydrophobicContact CB-CB 4.07Å; T949-A953 PolarHBondContact O-N 3.49Å; T949-A953 VanDerWaalsContact O-N 3.09Å; K950-A953 PolarHBondContact O-N 2.92Å; R951-A953 PolarHBondContact O-N 3.47Å; A953-M956 PolarHBondContact O-N 2.96Å; A953-A957 PolarHBondContact O-N 2.95Å; A953-A957 VanDerWaalsContact O-N 3.1Å |
| 954 | A | 91.2 | Very high | 90 | Very high | 30 Ų | 30 | 25.1 Ų | 25.1 | 25% | 0.248 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.1 | -43.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | K950 R951 M952 A957 Q958 | K950-A954 PolarHBondContact O-N 3.33Å; R951-A954 PolarHBondContact O-N 3.01Å; M952-A954 PolarHBondContact O-N 3.42Å; A954-A957 PolarHBondContact O-N 3.03Å; A954-Q958 WeakPolarHBondContact O-CG 3.1Å; A954-Q958 PolarHBondContact O-N 3.15Å |
| 955 | L | 93.5 | Very high | 89.4 | Confident | 13 Ų | 13 | 21.2 Ų | 21.2 | 7% | 0.068 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.8 | -35.9 | 176.8 | -69.2 | 167.9 | 0 | 0 | 0 | 112.3 | R951 M952 Q958 L959 V976 A979 I980 | R951-L955 HydrophobicContact CG-CD1 4.16Å; R951-L955 WeakPolarHBondContact O-CG 3.25Å; R951-L955 PolarHBondContact O-N 3.16Å; M952-L955 PolarHBondContact O-N 3.35Å; L955-Q958 WeakPolarHBondContact O-CB 3.45Å; L955-Q958 PolarHBondContact O-N 3.1Å; L955-L959 PolarHBondContact O-N 2.94Å; L955-V976 HydrophobicContact CB-CG1 4.46Å; L955-V976 VanDerWaalsContact O-CG1 3.31Å; L955-V976 WeakPolarHBondContact O-CG1 3.49Å; L955-A979 HydrophobicContact CD1-CB 3.85Å; L955-A979 HydrophobicContact CD2-CB 4.04Å; L955-I980 HydrophobicContact CB-CD1 4.23Å; L955-I980 HydrophobicContact CB-CG1 3.55Å; L955-I980 HydrophobicContact CD1-CG1 4.36Å |
| 956 | M | 93.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -69.8 | -33 | 177.1 | -167.8 | 61.1 | 79.9 | 0 | 0 | 112.3 | I924 A928 M952 A953 L959 S960 I980 L1021 A1066 L1069 M1070 | I924-M956 HydrophobicContact CG2-CG 3.88Å; I924-M956 HydrophobicContact CG2-SD 3.59Å; I924-M956 VanDerWaalsContact CG2-SD 3.59Å; A928-M956 HydrophobicContact CB-CB 3.81Å; A928-M956 HydrophobicContact CB-CG 3.92Å; M952-M956 VanDerWaalsContact O-CB 3.32Å; M952-M956 WeakPolarHBondContact O-CB 3.48Å; M952-M956 PolarHBondContact O-N 3.16Å; A953-M956 PolarHBondContact O-N 2.96Å; M956-L959 PolarHBondContact O-N 2.75Å; M956-L959 HydrophobicContact SD-CB 4.27Å; M956-L959 HydrophobicContact SD-CD2 3.62Å; M956-S960 PolarHBondContact O-N 2.9Å; M956-I980 HydrophobicContact CE-CD1 4.15Å; M956-I980 HydrophobicContact CE-CG2 4.28Å; M956-I980 HydrophobicContact SD-CD1 4.18Å; M956-L1021 HydrophobicContact CE-CD2 4.2Å; M956-A1066 HydrophobicContact CE-CB 3.86Å; M956-A1066 HydrophobicContact SD-CB 3.7Å; M956-L1069 HydrophobicContact CE-CD2 4.11Å; M956-M1070 HydrophobicContact CB-CE 4.47Å; M956-M1070 HydrophobicContact CB-SD 3.75Å; M956-M1070 HydrophobicContact CE-CE 3.75Å; M956-M1070 HydrophobicContact CE-CG 4.08Å; M956-M1070 HydrophobicContact CE-SD 4.14Å; M956-M1070 HydrophobicContact CG-CG 3.92Å; M956-M1070 HydrophobicContact CG-SD 3.81Å |
| 957 | A | 89.6 | Confident | 87.5 | Confident | 2 Ų | 2 | 28.5 Ų | 28.5 | 2% | 0.017 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.4 | -45.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | F915 M925 A928 A953 A954 L959 S960 Q961 | F915-A957 HydrophobicContact CE1-CB 4.09Å; F915-A957 HydrophobicContact CE2-CB 4.46Å; F915-A957 HydrophobicContact CZ-CB 3.72Å; M925-A957 HydrophobicContact CE-CB 4.02Å; M925-A957 HydrophobicContact SD-CB 3.69Å; A928-A957 HydrophobicContact CB-CB 4.15Å; A953-A957 PolarHBondContact O-N 2.95Å; A953-A957 VanDerWaalsContact O-N 3.1Å; A954-A957 PolarHBondContact O-N 3.03Å; A957-L959 PolarHBondContact O-N 2.92Å; A957-S960 VanDerWaalsContact O-CB 3.31Å; A957-S960 WeakPolarHBondContact O-CB 3.39Å; A957-S960 PolarHBondContact O-N 3.28Å; A957-Q961 WeakPolarHBondContact O-CG 3.41Å; A957-Q961 PolarHBondContact O-N 3.47Å |
| 958 | Q | 89.6 | Confident | 86.5 | Confident | 22 Ų | 22 | 28.8 Ų | 28.8 | 10% | 0.103 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.7 | -42.9 | 175.4 | -66.7 | 173 | 8.5 | 0 | 0 | 112.1 | L852 A954 L955 S960 Q961 I962 Y967 V976 | L852-Q958 HydrophobicContact CD1-CG 4.19Å; L852-Q958 HydrophobicContact CD2-CG 4.07Å; L852-Q958 HydrophobicContact CG-CG 4.37Å; A954-Q958 WeakPolarHBondContact O-CG 3.1Å; A954-Q958 PolarHBondContact O-N 3.15Å; L955-Q958 WeakPolarHBondContact O-CB 3.45Å; L955-Q958 PolarHBondContact O-N 3.1Å; Q958-S960 VanDerWaalsContact C-N 3.29Å; Q958-S960 PolarHBondContact O-N 2.94Å; Q958-Q961 PolarHBondContact O-N 2.9Å; Q958-Q961 VanDerWaalsContact O-N 3.15Å; Q958-I962 WeakPolarHBondContact O-CG1 3.48Å; Q958-I962 PolarHBondContact O-N 2.95Å; Q958-Y967 WeakPolarHBondContact CA-OH 3.35Å; Q958-V976 HydrophobicContact CB-CG1 4.42Å |
| 959 | L | 90.4 | Very high | 86 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -56.8 | -45.2 | 174.3 | -165.6 | 80.8 | 0 | 0 | 0 | 110.7 | L955 M956 A957 Q961 I962 V963 L973 V976 I980 L1021 | L955-L959 PolarHBondContact O-N 2.94Å; M956-L959 PolarHBondContact O-N 2.75Å; M956-L959 HydrophobicContact SD-CB 4.27Å; M956-L959 HydrophobicContact SD-CD2 3.62Å; A957-L959 PolarHBondContact O-N 2.92Å; L959-Q961 VanDerWaalsContact C-N 3.25Å; L959-Q961 PolarHBondContact O-N 3.49Å; L959-I962 PolarHBondContact O-N 3.24Å; L959-V963 HydrophobicContact CG-CG2 4.4Å; L959-V963 WeakPolarHBondContact O-CB 3.36Å; L959-V963 VanDerWaalsContact O-CG2 3.27Å; L959-V963 WeakPolarHBondContact O-CG2 3.4Å; L959-V963 PolarHBondContact O-N 2.82Å; L959-L973 HydrophobicContact CD1-CD1 3.72Å; L959-L973 HydrophobicContact CG-CD1 4.47Å; L959-V976 HydrophobicContact CB-CG1 3.92Å; L959-V976 HydrophobicContact CD1-CB 4.29Å; L959-V976 HydrophobicContact CD1-CG1 3.91Å; L959-I980 HydrophobicContact CB-CD1 4.03Å; L959-I980 HydrophobicContact CD1-CD1 4.32Å; L959-I980 HydrophobicContact CD2-CD1 4.01Å; L959-I980 HydrophobicContact CG-CD1 4.35Å; L959-L1021 HydrophobicContact CD2-CD1 4.31Å; L959-L1021 HydrophobicContact CD2-CD2 4.41Å |
| 960 | S | 88.3 | Confident | 85.6 | Confident | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.3 | -32.8 | 178.3 | -168.4 | 0 | 0 | 0 | 0 | 113.6 | M925 M956 A957 Q958 R964 | M925-S960 PolarHBondContact N-OG 3.3Å; M956-S960 PolarHBondContact O-N 2.9Å; A957-S960 VanDerWaalsContact O-CB 3.31Å; A957-S960 WeakPolarHBondContact O-CB 3.39Å; A957-S960 PolarHBondContact O-N 3.28Å; Q958-S960 VanDerWaalsContact C-N 3.29Å; Q958-S960 PolarHBondContact O-N 2.94Å; S960-R964 WeakPolarHBondContact O-CG 3.35Å; S960-R964 PolarHBondContact O-NH1 3.46Å; S960-R964 PolarHBondContact OG-NH1 2.99Å |
| 961 | Q | 85.8 | Confident | 85.3 | Confident | 28 Ų | 28 | 42 Ų | 42 | 13% | 0.131 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -84 | -35.7 | -178.9 | -65.1 | -178.3 | -91.8 | 0 | 0 | 112 | M925 A957 Q958 L959 R964 G965 E966 Y967 | M925-Q961 HydrophobicContact CE-CG 3.77Å; A957-Q961 WeakPolarHBondContact O-CG 3.41Å; A957-Q961 PolarHBondContact O-N 3.47Å; Q958-Q961 PolarHBondContact O-N 2.9Å; Q958-Q961 VanDerWaalsContact O-N 3.15Å; L959-Q961 VanDerWaalsContact C-N 3.25Å; L959-Q961 PolarHBondContact O-N 3.49Å; Q961-R964 PolarHBondContact O-N 3.46Å; Q961-G965 PolarHBondContact O-N 2.97Å; Q961-E966 HydrophobicContact CB-CB 4.36Å; Q961-E966 WeakPolarHBondContact CG-OE2 3.45Å; Q961-E966 PolarHBondContact NE2-OE2 2.72Å; Q961-E966 PolarHBondContact O-N 3.43Å; Q961-E966 VanDerWaalsContact O-N 3.09Å; Q961-Y967 HydrophobicContact CB-CD1 4.18Å; Q961-Y967 HydrophobicContact CB-CE1 3.43Å; Q961-Y967 VanDerWaalsContact CB-CE1 3.43Å; Q961-Y967 HydrophobicContact CG-CE1 4.21Å |
| 962 | I | 86.1 | Confident | 85.1 | Confident | 10 Ų | 10 | 40.3 Ų | 40.3 | 5% | 0.051 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.5 | -41.9 | 174.3 | -61.7 | 164.2 | 0 | 0 | 0 | 110.8 | Q958 L959 R964 G965 Y967 D972 L973 V976 | Q958-I962 WeakPolarHBondContact O-CG1 3.48Å; Q958-I962 PolarHBondContact O-N 2.95Å; L959-I962 PolarHBondContact O-N 3.24Å; I962-R964 PolarHBondContact O-N 3.29Å; I962-G965 PolarHBondContact O-N 3.12Å; I962-Y967 HydrophobicContact CD1-CE2 4.24Å; I962-Y967 HydrophobicContact CG1-CD2 4.14Å; I962-Y967 HydrophobicContact CG1-CE2 3.73Å; I962-D972 HydrophobicContact CD1-CB 4.27Å; I962-L973 HydrophobicContact CG2-CB 3.8Å; I962-L973 HydrophobicContact CG2-CD1 4.12Å; I962-V976 HydrophobicContact CD1-CB 4.39Å; I962-V976 HydrophobicContact CD1-CG2 3.76Å |
| 963 | V | 85 | Confident | 84.9 | Confident | 22 Ų | 22 | 40.3 Ų | 40.3 | 13% | 0.133 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.3 | -29.2 | 176.3 | 170.9 | 0 | 0 | 0 | 0 | 112.2 | I924 L959 L973 T1059 L1062 | I924-V963 HydrophobicContact CD1-CB 4.44Å; I924-V963 HydrophobicContact CD1-CG1 4.26Å; I924-V963 HydrophobicContact CD1-CG2 4.38Å; L959-V963 HydrophobicContact CG-CG2 4.4Å; L959-V963 WeakPolarHBondContact O-CB 3.36Å; L959-V963 VanDerWaalsContact O-CG2 3.27Å; L959-V963 WeakPolarHBondContact O-CG2 3.4Å; L959-V963 PolarHBondContact O-N 2.82Å; V963-L973 HydrophobicContact CG2-CD1 3.7Å; V963-T1059 HydrophobicContact CG1-CG2 4.2Å; V963-L1062 HydrophobicContact CG1-CD2 4.5Å; V963-L1062 HydrophobicContact CG2-CD2 3.65Å |
| 964 | R | 80.6 | Confident | 84.7 | Confident | 83 Ų | 83 | 42.8 Ų | 42.8 | 31% | 0.313 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -5.5 | 173.4 | -70.5 | -169.3 | -56.9 | -111.4 | 15.6 | 114.7 | Q922 S960 Q961 I962 E966 | Q922-R964 VanDerWaalsContact CG-NH1 3.28Å; S960-R964 WeakPolarHBondContact O-CG 3.35Å; S960-R964 PolarHBondContact O-NH1 3.46Å; S960-R964 PolarHBondContact OG-NH1 2.99Å; Q961-R964 PolarHBondContact O-N 3.46Å; I962-R964 PolarHBondContact O-N 3.29Å; R964-E966 VanDerWaalsContact C-N 3.32Å; R964-E966 HydrophobicContact CB-CG 4.35Å; R964-E966 IonicContact CZ-OE1 2.7Å; R964-E966 IonicContact NE-OE1 2.67Å; R964-E966 PolarHBondContact NE-OE1 2.89Å; R964-E966 IonicContact NH2-OE1 3.88Å; R964-E966 PolarHBondContact NH2-OE1 3.42Å; R964-E966 IonicContact NH2-OE2 3.11Å; R964-E966 PolarHBondContact O-N 2.87Å |
| 965 | G | 76.4 | Confident | 84.8 | Confident | 63 Ų | 63 | 44.5 Ų | 44.5 | 65% | 0.649 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.8 | 19.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q961 I962 Y967 | Q961-G965 PolarHBondContact O-N 2.97Å; I962-G965 PolarHBondContact O-N 3.12Å; G965-Y967 PolarHBondContact O-N 3.44Å |
| 966 | E | 72.7 | Confident | 84.7 | Confident | 73 Ų | 73 | 44.5 Ų | 44.5 | 34% | 0.341 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -65.6 | -30 | 177.1 | -73.4 | 177 | -156.8 | 0 | 0 | 113 | K855 Q961 R964 | K855-E966 PolarHBondContact NZ-O 2.9Å; Q961-E966 HydrophobicContact CB-CB 4.36Å; Q961-E966 WeakPolarHBondContact CG-OE2 3.45Å; Q961-E966 PolarHBondContact NE2-OE2 2.72Å; Q961-E966 PolarHBondContact O-N 3.43Å; Q961-E966 VanDerWaalsContact O-N 3.09Å; R964-E966 VanDerWaalsContact C-N 3.32Å; R964-E966 HydrophobicContact CB-CG 4.35Å; R964-E966 IonicContact CZ-OE1 2.7Å; R964-E966 IonicContact NE-OE1 2.67Å; R964-E966 PolarHBondContact NE-OE1 2.89Å; R964-E966 IonicContact NH2-OE1 3.88Å; R964-E966 PolarHBondContact NH2-OE1 3.42Å; R964-E966 IonicContact NH2-OE2 3.11Å; R964-E966 PolarHBondContact O-N 2.87Å |
| 967 | Y | 70.3 | Confident | 84.7 | Confident | 80 Ų | 80 | 44.6 Ų | 44.6 | 31% | 0.314 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -167.3 | 170.4 | 172.9 | 64 | -96 | 0 | 0 | 0 | 109.9 | Q958 Q961 I962 G965 | Q958-Y967 WeakPolarHBondContact CA-OH 3.35Å; Q961-Y967 HydrophobicContact CB-CD1 4.18Å; Q961-Y967 HydrophobicContact CB-CE1 3.43Å; Q961-Y967 VanDerWaalsContact CB-CE1 3.43Å; Q961-Y967 HydrophobicContact CG-CE1 4.21Å; I962-Y967 HydrophobicContact CD1-CE2 4.24Å; I962-Y967 HydrophobicContact CG1-CD2 4.14Å; I962-Y967 HydrophobicContact CG1-CE2 3.73Å; G965-Y967 PolarHBondContact O-N 3.44Å |
| 968 | G | 69.9 | Low | 84.8 | Confident | 48 Ų | 48 | 48.7 Ų | 48.7 | 50% | 0.495 | 26% | 0.262 | S | S | . | . | trans | 92.2 | 162.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 969 | T | 81.1 | Confident | 85 | Confident | 79 Ų | 79 | 49 Ų | 49 | 49% | 0.485 | 27% | 0.268 | S | S | . | . | trans | -111 | 172.2 | -177.3 | 69.7 | 0 | 0 | 0 | 0 | 112.1 | K971 D972 L973 | T969-K971 PolarHBondContact O-N 3.32Å; T969-K971 VanDerWaalsContact O-N 3.08Å; T969-K971 WeakPolarHBondContact OG1-CB 3.44Å; T969-K971 PolarHBondContact OG1-N 3.42Å; T969-D972 WeakPolarHBondContact CB-OD2 3.27Å; T969-D972 PolarHBondContact N-OD2 2.94Å; T969-D972 PolarHBondContact O-N 3.31Å; T969-D972 PolarHBondContact OG1-N 2.94Å; T969-D972 PolarHBondContact OG1-OD2 3.1Å; T969-L973 PolarHBondContact O-N 3.27Å; T969-L973 VanDerWaalsContact O-N 3.14Å | ||
| 970 | K | 83.8 | Confident | 85.1 | Confident | 94 Ų | 94 | 49 Ų | 49 | 41% | 0.409 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -47.1 | -37.1 | 168.2 | -48.3 | -174.4 | -168.3 | -145.6 | 0 | 112.1 | I974 A1029 L1032 G1033 | K970-I974 WeakPolarHBondContact O-CG1 3.45Å; K970-I974 PolarHBondContact O-N 3.26Å; K970-A1029 HydrophobicContact CB-CB 4.45Å; K970-A1029 WeakPolarHBondContact CD-O 3.38Å; K970-L1032 WeakPolarHBondContact CD-O 3.39Å; K970-L1032 WeakPolarHBondContact CE-O 3.33Å; K970-L1032 PolarHBondContact NZ-O 2.97Å; K970-G1033 PolarHBondContact NZ-O 3.17Å; K970-G1033 VanDerWaalsContact NZ-O 3.08Å |
| 971 | K | 86.7 | Confident | 85.3 | Confident | 142 Ų | 142 | 49.2 Ų | 49.2 | 62% | 0.617 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -70.6 | -38.1 | 179.3 | -169.6 | -171.6 | 178.8 | -172 | 0 | 112 | T969 I974 N975 | T969-K971 PolarHBondContact O-N 3.32Å; T969-K971 VanDerWaalsContact O-N 3.08Å; T969-K971 WeakPolarHBondContact OG1-CB 3.44Å; T969-K971 PolarHBondContact OG1-N 3.42Å; K971-I974 PolarHBondContact O-N 3.25Å; K971-N975 PolarHBondContact O-N 2.99Å; K971-N975 PolarHBondContact O-ND2 2.9Å; K971-N975 PolarHBondContact O-OD1 3.45Å |
| 972 | D | 88.5 | Confident | 85.6 | Confident | 55 Ų | 55 | 53.2 Ų | 53.2 | 29% | 0.294 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -74.7 | -33.9 | -176.7 | -53.4 | -52.1 | 0 | 0 | 0 | 111.6 | I962 T969 I974 N975 V976 | I962-D972 HydrophobicContact CD1-CB 4.27Å; T969-D972 WeakPolarHBondContact CB-OD2 3.27Å; T969-D972 PolarHBondContact N-OD2 2.94Å; T969-D972 PolarHBondContact O-N 3.31Å; T969-D972 PolarHBondContact OG1-N 2.94Å; T969-D972 PolarHBondContact OG1-OD2 3.1Å; D972-I974 VanDerWaalsContact C-N 3.31Å; D972-I974 PolarHBondContact O-N 3.37Å; D972-N975 PolarHBondContact O-N 3.3Å; D972-V976 WeakPolarHBondContact O-CB 3.44Å; D972-V976 WeakPolarHBondContact O-CG2 3.49Å; D972-V976 PolarHBondContact O-N 2.93Å |
| 973 | L | 88.2 | Confident | 86 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -56.6 | -45.7 | 168.9 | -177.3 | 61.8 | 0 | 0 | 0 | 111.5 | L959 I962 V963 T969 S977 K1028 A1029 L1032 | L959-L973 HydrophobicContact CD1-CD1 3.72Å; L959-L973 HydrophobicContact CG-CD1 4.47Å; I962-L973 HydrophobicContact CG2-CB 3.8Å; I962-L973 HydrophobicContact CG2-CD1 4.12Å; V963-L973 HydrophobicContact CG2-CD1 3.7Å; T969-L973 PolarHBondContact O-N 3.27Å; T969-L973 VanDerWaalsContact O-N 3.14Å; L973-S977 WeakPolarHBondContact O-CB 3.24Å; L973-S977 PolarHBondContact O-N 2.99Å; L973-S977 VanDerWaalsContact O-N 3.09Å; L973-K1028 HydrophobicContact CD2-CB 4.15Å; L973-K1028 HydrophobicContact CD2-CG 3.91Å; L973-A1029 HydrophobicContact CD2-CB 4.15Å; L973-L1032 HydrophobicContact CD2-CD1 3.7Å |
| 974 | I | 88.5 | Confident | 86.4 | Confident | 51 Ų | 51 | 51.8 Ų | 51.8 | 26% | 0.262 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -68.4 | -43.4 | 177.1 | -61.1 | 168 | 0 | 0 | 0 | 110.8 | K970 K971 D972 V976 S977 M978 A1029 | K970-I974 WeakPolarHBondContact O-CG1 3.45Å; K970-I974 PolarHBondContact O-N 3.26Å; K971-I974 PolarHBondContact O-N 3.25Å; D972-I974 VanDerWaalsContact C-N 3.31Å; D972-I974 PolarHBondContact O-N 3.37Å; I974-V976 PolarHBondContact O-N 3.21Å; I974-S977 PolarHBondContact O-N 2.91Å; I974-S977 PolarHBondContact O-OG 3.38Å; I974-M978 HydrophobicContact CG2-CE 4.11Å; I974-M978 HydrophobicContact CG2-CG 4.45Å; I974-M978 HydrophobicContact CG2-SD 4.31Å; I974-M978 WeakPolarHBondContact O-CG 3.48Å; I974-M978 PolarHBondContact O-N 3Å; I974-A1029 HydrophobicContact CD1-CB 3.73Å; I974-A1029 HydrophobicContact CG1-CB 3.7Å |
| 975 | N | 91.8 | Very high | 87 | Confident | 66 Ų | 66 | 52.6 Ų | 52.6 | 35% | 0.353 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.1 | -46.9 | 178.2 | -67.5 | -25.6 | 0 | 0 | 0 | 111.9 | K971 D972 M978 A979 | K971-N975 PolarHBondContact O-N 2.99Å; K971-N975 PolarHBondContact O-ND2 2.9Å; K971-N975 PolarHBondContact O-OD1 3.45Å; D972-N975 PolarHBondContact O-N 3.3Å; N975-M978 PolarHBondContact O-N 3.44Å; N975-A979 PolarHBondContact O-N 3.03Å |
| 976 | V | 92.3 | Very high | 87.8 | Confident | 14 Ų | 14 | 52.4 Ų | 52.4 | 9% | 0.085 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.6 | -40 | 179.7 | 173.8 | 0 | 0 | 0 | 0 | 111 | L955 Q958 L959 I962 D972 I974 M978 A979 I980 | L955-V976 HydrophobicContact CB-CG1 4.46Å; L955-V976 VanDerWaalsContact O-CG1 3.31Å; L955-V976 WeakPolarHBondContact O-CG1 3.49Å; Q958-V976 HydrophobicContact CB-CG1 4.42Å; L959-V976 HydrophobicContact CB-CG1 3.92Å; L959-V976 HydrophobicContact CD1-CB 4.29Å; L959-V976 HydrophobicContact CD1-CG1 3.91Å; I962-V976 HydrophobicContact CD1-CB 4.39Å; I962-V976 HydrophobicContact CD1-CG2 3.76Å; D972-V976 WeakPolarHBondContact O-CB 3.44Å; D972-V976 WeakPolarHBondContact O-CG2 3.49Å; D972-V976 PolarHBondContact O-N 2.93Å; I974-V976 PolarHBondContact O-N 3.21Å; V976-M978 VanDerWaalsContact C-N 3.33Å; V976-M978 PolarHBondContact O-N 3.14Å; V976-A979 PolarHBondContact O-N 3.34Å; V976-I980 HydrophobicContact CG1-CD1 3.93Å; V976-I980 HydrophobicContact CG1-CG1 4.41Å; V976-I980 VanDerWaalsContact O-CG1 3.31Å; V976-I980 WeakPolarHBondContact O-CG1 3.45Å; V976-I980 PolarHBondContact O-N 2.91Å |
| 977 | S | 92.4 | Very high | 88.8 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.007 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.7 | -36.5 | 176.2 | 79 | 0 | 0 | 0 | 0 | 112.8 | L973 I974 A981 S1025 | L973-S977 WeakPolarHBondContact O-CB 3.24Å; L973-S977 PolarHBondContact O-N 2.99Å; L973-S977 VanDerWaalsContact O-N 3.09Å; I974-S977 PolarHBondContact O-N 2.91Å; I974-S977 PolarHBondContact O-OG 3.38Å; S977-A981 PolarHBondContact O-N 3.09Å; S977-A981 VanDerWaalsContact O-N 3.13Å; S977-S1025 WeakPolarHBondContact CB-OG 3.4Å; S977-S1025 WeakPolarHBondContact OG-CB 3.22Å |
| 978 | M | 91.8 | Very high | 89.8 | Confident | 89 Ų | 89 | 45.6 Ų | 45.6 | 44% | 0.438 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65 | -43.9 | 172 | -69.7 | -171.2 | -57.3 | 0 | 0 | 111.9 | I974 N975 V976 I980 A981 E982 | I974-M978 HydrophobicContact CG2-CE 4.11Å; I974-M978 HydrophobicContact CG2-CG 4.45Å; I974-M978 HydrophobicContact CG2-SD 4.31Å; I974-M978 WeakPolarHBondContact O-CG 3.48Å; I974-M978 PolarHBondContact O-N 3Å; N975-M978 PolarHBondContact O-N 3.44Å; V976-M978 VanDerWaalsContact C-N 3.33Å; V976-M978 PolarHBondContact O-N 3.14Å; M978-I980 PolarHBondContact O-N 2.74Å; M978-A981 PolarHBondContact O-N 3.04Å; M978-E982 PolarHBondContact O-N 3.32Å |
| 979 | A | 93.9 | Very high | 90.9 | Very high | 27 Ų | 27 | 49 Ų | 49 | 22% | 0.223 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.2 | -35.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L955 N975 V976 E982 A983 | L955-A979 HydrophobicContact CD1-CB 3.85Å; L955-A979 HydrophobicContact CD2-CB 4.04Å; N975-A979 PolarHBondContact O-N 3.03Å; V976-A979 PolarHBondContact O-N 3.34Å; A979-E982 PolarHBondContact O-N 2.77Å; A979-A983 WeakPolarHBondContact O-CB 3.38Å; A979-A983 PolarHBondContact O-N 3.34Å |
| 980 | I | 93.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.8 | -40.9 | 172.9 | -68.1 | 166.4 | 0 | 0 | 0 | 110.6 | M952 L955 M956 L959 V976 M978 A983 S984 L1021 L1069 | M952-I980 HydrophobicContact CE-CG2 4.3Å; L955-I980 HydrophobicContact CB-CD1 4.23Å; L955-I980 HydrophobicContact CB-CG1 3.55Å; L955-I980 HydrophobicContact CD1-CG1 4.36Å; M956-I980 HydrophobicContact CE-CD1 4.15Å; M956-I980 HydrophobicContact CE-CG2 4.28Å; M956-I980 HydrophobicContact SD-CD1 4.18Å; L959-I980 HydrophobicContact CB-CD1 4.03Å; L959-I980 HydrophobicContact CD1-CD1 4.32Å; L959-I980 HydrophobicContact CD2-CD1 4.01Å; L959-I980 HydrophobicContact CG-CD1 4.35Å; V976-I980 HydrophobicContact CG1-CD1 3.93Å; V976-I980 HydrophobicContact CG1-CG1 4.41Å; V976-I980 VanDerWaalsContact O-CG1 3.31Å; V976-I980 WeakPolarHBondContact O-CG1 3.45Å; V976-I980 PolarHBondContact O-N 2.91Å; M978-I980 PolarHBondContact O-N 2.74Å; I980-A983 PolarHBondContact O-N 2.94Å; I980-S984 WeakPolarHBondContact O-CB 3.47Å; I980-S984 PolarHBondContact O-N 3.27Å; I980-S984 PolarHBondContact O-OG 2.96Å; I980-L1021 HydrophobicContact CB-CD2 4.01Å; I980-L1021 HydrophobicContact CD1-CD2 4.05Å; I980-L1021 HydrophobicContact CG2-CD2 3.54Å; I980-L1069 HydrophobicContact CG2-CD2 3.5Å; I980-L1069 VanDerWaalsContact CG2-CD2 3.5Å |
| 981 | A | 92 | Very high | 91.7 | Very high | 9 Ų | 9 | 41.4 Ų | 41.4 | 7% | 0.074 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -71.5 | -32.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | S977 M978 S984 L985 K1022 | S977-A981 PolarHBondContact O-N 3.09Å; S977-A981 VanDerWaalsContact O-N 3.13Å; M978-A981 PolarHBondContact O-N 3.04Å; A981-S984 WeakPolarHBondContact O-CB 3.3Å; A981-S984 PolarHBondContact O-N 3.04Å; A981-L985 PolarHBondContact O-N 2.92Å; A981-L985 VanDerWaalsContact O-N 3.09Å; A981-K1022 HydrophobicContact CB-CD 3.39Å; A981-K1022 HydrophobicContact CB-CG 3.77Å |
| 982 | E | 93.1 | Very high | 91.9 | Very high | 112 Ų | 112 | 37.6 Ų | 37.6 | 52% | 0.523 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64.5 | -47 | 170.1 | -173.7 | 173.5 | -161.1 | 0 | 0 | 110.9 | M978 A979 S984 L985 D986 | M978-E982 PolarHBondContact O-N 3.32Å; A979-E982 PolarHBondContact O-N 2.77Å; E982-S984 PolarHBondContact O-N 3.14Å; E982-L985 WeakPolarHBondContact O-CB 3.42Å; E982-L985 PolarHBondContact O-N 3.48Å; E982-D986 PolarHBondContact O-N 3.02Å; E982-D986 VanDerWaalsContact O-N 3.12Å |
| 983 | A | 93.6 | Very high | 92 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.6 | -25.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | M952 A979 I980 D986 V987 | M952-A983 HydrophobicContact CG-CB 3.51Å; M952-A983 HydrophobicContact SD-CB 4.46Å; A979-A983 WeakPolarHBondContact O-CB 3.38Å; A979-A983 PolarHBondContact O-N 3.34Å; I980-A983 PolarHBondContact O-N 2.94Å; A983-D986 PolarHBondContact O-N 3.42Å; A983-V987 WeakPolarHBondContact O-CG2 3.3Å; A983-V987 PolarHBondContact O-N 3.1Å; A983-V987 VanDerWaalsContact O-N 3.13Å |
| 984 | S | 92.8 | Very high | 92.1 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.007 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -69.9 | -31.8 | 171.5 | -56.3 | 0 | 0 | 0 | 0 | 112.3 | M952 I980 A981 E982 N988 | M952-S984 WeakPolarHBondContact CE-OG 3.31Å; I980-S984 WeakPolarHBondContact O-CB 3.47Å; I980-S984 PolarHBondContact O-N 3.27Å; I980-S984 PolarHBondContact O-OG 2.96Å; A981-S984 WeakPolarHBondContact O-CB 3.3Å; A981-S984 PolarHBondContact O-N 3.04Å; E982-S984 PolarHBondContact O-N 3.14Å; S984-N988 WeakPolarHBondContact O-CB 3.37Å; S984-N988 PolarHBondContact O-N 3.37Å |
| 985 | L | 93.4 | Very high | 92.1 | Very high | 101 Ų | 101 | 34.1 Ų | 34.1 | 53% | 0.529 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -70.2 | -42 | 172.2 | -73.5 | 159 | 0 | 0 | 0 | 111.4 | A981 E982 V987 N988 Q989 L1015 | A981-L985 PolarHBondContact O-N 2.92Å; A981-L985 VanDerWaalsContact O-N 3.09Å; E982-L985 WeakPolarHBondContact O-CB 3.42Å; E982-L985 PolarHBondContact O-N 3.48Å; L985-V987 VanDerWaalsContact C-N 3.33Å; L985-V987 PolarHBondContact O-N 2.84Å; L985-N988 PolarHBondContact O-N 2.99Å; L985-Q989 WeakPolarHBondContact O-CB 3.33Å; L985-Q989 PolarHBondContact O-N 2.89Å; L985-L1015 HydrophobicContact CD2-CD2 3.63Å; L985-L1015 HydrophobicContact CG-CD2 4.08Å |
| 986 | D | 93.5 | Very high | 92 | Very high | 59 Ų | 59 | 37.8 Ų | 37.8 | 32% | 0.316 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -54.7 | -49.3 | 172.2 | -75.7 | -3.1 | 0 | 0 | 0 | 110.8 | A948 R951 E982 A983 N988 Q989 C990 | A948-D986 HydrophobicContact CB-CB 3.78Å; R951-D986 IonicContact CZ-OD2 3.45Å; R951-D986 VanDerWaalsContact CZ-OD2 3.23Å; R951-D986 IonicContact NH1-OD2 2.73Å; R951-D986 PolarHBondContact NH1-OD2 3.27Å; R951-D986 IonicContact NH2-OD2 3.22Å; R951-D986 PolarHBondContact NH2-OD2 2.96Å; E982-D986 PolarHBondContact O-N 3.02Å; E982-D986 VanDerWaalsContact O-N 3.12Å; A983-D986 PolarHBondContact O-N 3.42Å; D986-N988 PolarHBondContact O-N 3.36Å; D986-Q989 PolarHBondContact O-N 3.45Å; D986-C990 PolarHBondContact O-N 3.27Å; D986-C990 PolarHBondContact O-SG 3.29Å; D986-C990 VanDerWaalsContact O-SG 3.37Å |
| 987 | V | 93.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.1 | -43.4 | 178.4 | 170.8 | 0 | 0 | 0 | 0 | 111.9 | L945 A948 T949 M952 A983 L985 Q989 C990 A991 I1014 T1076 | L945-V987 HydrophobicContact CD1-CB 4.36Å; L945-V987 HydrophobicContact CD1-CG1 3.94Å; L945-V987 HydrophobicContact CD1-CG2 4.23Å; A948-V987 HydrophobicContact CB-CG2 3.88Å; T949-V987 HydrophobicContact CG2-CG2 3.63Å; M952-V987 HydrophobicContact SD-CG2 3.72Å; A983-V987 WeakPolarHBondContact O-CG2 3.3Å; A983-V987 PolarHBondContact O-N 3.1Å; A983-V987 VanDerWaalsContact O-N 3.13Å; L985-V987 VanDerWaalsContact C-N 3.33Å; L985-V987 PolarHBondContact O-N 2.84Å; V987-Q989 VanDerWaalsContact C-N 3.35Å; V987-Q989 PolarHBondContact O-N 3.48Å; V987-C990 PolarHBondContact O-N 2.96Å; V987-A991 VanDerWaalsContact O-CB 3.24Å; V987-A991 WeakPolarHBondContact O-CB 3.4Å; V987-A991 PolarHBondContact O-N 3.04Å; V987-I1014 HydrophobicContact CG1-CD1 3.86Å; V987-T1076 HydrophobicContact CG1-CG2 4.2Å |
| 988 | N | 91.7 | Very high | 91.7 | Very high | 9 Ų | 9 | 38.4 Ų | 38.4 | 5% | 0.048 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61 | -43 | 175.6 | -177.3 | -93 | 0 | 0 | 0 | 111.9 | S984 L985 D986 A991 K992 S1011 D1012 L1015 | S984-N988 WeakPolarHBondContact O-CB 3.37Å; S984-N988 PolarHBondContact O-N 3.37Å; L985-N988 PolarHBondContact O-N 2.99Å; D986-N988 PolarHBondContact O-N 3.36Å; N988-A991 PolarHBondContact O-N 3.45Å; N988-K992 WeakPolarHBondContact ND2-CE 3.45Å; N988-K992 PolarHBondContact ND2-NZ 3.05Å; N988-K992 WeakPolarHBondContact O-CB 3.42Å; N988-K992 WeakPolarHBondContact O-CG 3.37Å; N988-K992 PolarHBondContact O-N 3.5Å; N988-K992 VanDerWaalsContact OD1-CD 3.31Å; N988-K992 WeakPolarHBondContact OD1-CD 3.35Å; N988-K992 WeakPolarHBondContact OD1-CE 3.3Å; N988-K992 PolarHBondContact OD1-NZ 3.48Å; N988-S1011 WeakPolarHBondContact ND2-CB 3.19Å; N988-S1011 PolarHBondContact ND2-O 2.97Å; N988-S1011 PolarHBondContact ND2-OG 3.49Å; N988-D1012 PolarHBondContact ND2-OD1 2.89Å; N988-L1015 HydrophobicContact CB-CD1 4.16Å; N988-L1015 HydrophobicContact CB-CD2 3.67Å; N988-L1015 HydrophobicContact CB-CG 3.87Å; N988-L1015 VanDerWaalsContact CG-CD1 3.45Å; N988-L1015 WeakPolarHBondContact ND2-CD1 3.41Å; N988-L1015 WeakPolarHBondContact ND2-CG 3.45Å |
| 989 | Q | 92.6 | Very high | 91.6 | Very high | 120 Ų | 120 | 34.8 Ų | 34.8 | 56% | 0.561 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -66 | -46.5 | 179.7 | -177.8 | 59.5 | 22.6 | 0 | 0 | 111.6 | L985 D986 V987 A991 K992 V993 | L985-Q989 WeakPolarHBondContact O-CB 3.33Å; L985-Q989 PolarHBondContact O-N 2.89Å; D986-Q989 PolarHBondContact O-N 3.45Å; V987-Q989 VanDerWaalsContact C-N 3.35Å; V987-Q989 PolarHBondContact O-N 3.48Å; Q989-A991 PolarHBondContact O-N 3.19Å; Q989-K992 PolarHBondContact O-N 3.21Å; Q989-V993 WeakPolarHBondContact O-CG2 3.5Å; Q989-V993 PolarHBondContact O-N 3.18Å |
| 990 | C | 92.1 | Very high | 91.3 | Very high | 13 Ų | 13 | 33.8 Ų | 33.8 | 9% | 0.088 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.7 | -45.1 | 174 | -67 | 0 | 0 | 0 | 0 | 111.8 | L945 D986 V987 K992 V993 L994 F1095 | L945-C990 HydrophobicContact CB-CB 3.98Å; L945-C990 HydrophobicContact CD1-CB 4.05Å; D986-C990 PolarHBondContact O-N 3.27Å; D986-C990 PolarHBondContact O-SG 3.29Å; D986-C990 VanDerWaalsContact O-SG 3.37Å; V987-C990 PolarHBondContact O-N 2.96Å; C990-K992 PolarHBondContact O-N 2.79Å; C990-V993 PolarHBondContact O-N 3.43Å; C990-L994 PolarHBondContact O-N 3.41Å; C990-F1095 HydrophobicContact CB-CE1 4.32Å; C990-F1095 HydrophobicContact CB-CZ 4.46Å |
| 991 | A | 91.1 | Very high | 91 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.6 | -41.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V987 N988 Q989 L994 A995 L1007 T1076 | V987-A991 VanDerWaalsContact O-CB 3.24Å; V987-A991 WeakPolarHBondContact O-CB 3.4Å; V987-A991 PolarHBondContact O-N 3.04Å; N988-A991 PolarHBondContact O-N 3.45Å; Q989-A991 PolarHBondContact O-N 3.19Å; A991-L994 PolarHBondContact O-N 2.77Å; A991-A995 WeakPolarHBondContact O-CB 3.38Å; A991-A995 PolarHBondContact O-N 2.85Å; A991-L1007 HydrophobicContact CB-CD1 3.93Å; A991-L1007 HydrophobicContact CB-CG 4.17Å; A991-L1007 WeakPolarHBondContact O-CD2 3.31Å; A991-T1076 HydrophobicContact CB-CG2 4.05Å |
| 992 | K | 90.7 | Very high | 90.4 | Very high | 62 Ų | 62 | 39 Ų | 39 | 27% | 0.27 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -68.9 | -35.1 | 177.2 | -77.3 | 177.5 | -179.8 | 163.3 | 0 | 113.4 | N988 Q989 C990 K996 L1008 D1012 | N988-K992 WeakPolarHBondContact ND2-CE 3.45Å; N988-K992 PolarHBondContact ND2-NZ 3.05Å; N988-K992 WeakPolarHBondContact O-CB 3.42Å; N988-K992 WeakPolarHBondContact O-CG 3.37Å; N988-K992 PolarHBondContact O-N 3.5Å; N988-K992 VanDerWaalsContact OD1-CD 3.31Å; N988-K992 WeakPolarHBondContact OD1-CD 3.35Å; N988-K992 WeakPolarHBondContact OD1-CE 3.3Å; N988-K992 PolarHBondContact OD1-NZ 3.48Å; Q989-K992 PolarHBondContact O-N 3.21Å; C990-K992 PolarHBondContact O-N 2.79Å; K992-K996 VanDerWaalsContact O-CB 3.27Å; K992-K996 WeakPolarHBondContact O-CB 3.38Å; K992-K996 PolarHBondContact O-N 2.95Å; K992-L1008 HydrophobicContact CG-CD2 3.86Å; K992-D1012 WeakPolarHBondContact CE-OD1 3.43Å; K992-D1012 IonicContact NZ-OD1 2.91Å; K992-D1012 PolarHBondContact NZ-OD1 3.02Å; K992-D1012 IonicContact NZ-OD2 3.92Å |
| 993 | V | 90 | Very high | 89.9 | Confident | 34 Ų | 34 | 35 Ų | 35 | 21% | 0.206 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.7 | -47.2 | 172.2 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | Q989 C990 K996 E997 Y1093 | Q989-V993 WeakPolarHBondContact O-CG2 3.5Å; Q989-V993 PolarHBondContact O-N 3.18Å; C990-V993 PolarHBondContact O-N 3.43Å; V993-K996 PolarHBondContact O-N 3.41Å; V993-E997 PolarHBondContact O-N 2.95Å; V993-Y1093 HydrophobicContact CG1-CD1 4.21Å; V993-Y1093 HydrophobicContact CG1-CD2 4.22Å; V993-Y1093 HydrophobicContact CG1-CE1 4.28Å; V993-Y1093 HydrophobicContact CG1-CE2 4.3Å; V993-Y1093 HydrophobicContact CG1-CG 4.2Å |
| 994 | L | 89.8 | Confident | 89.6 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.1 | -47.1 | 174.6 | -84.8 | 166.5 | 0 | 0 | 0 | 112.4 | L945 C990 A991 K996 E997 C998 L1007 A1080 M1087 F1095 | L945-L994 HydrophobicContact CD2-CD1 4.12Å; C990-L994 PolarHBondContact O-N 3.41Å; A991-L994 PolarHBondContact O-N 2.77Å; L994-K996 PolarHBondContact O-N 3.07Å; L994-E997 PolarHBondContact O-N 3.36Å; L994-C998 PolarHBondContact O-N 3.49Å; L994-L1007 HydrophobicContact CB-CD2 3.81Å; L994-A1080 HydrophobicContact CD1-CB 3.82Å; L994-M1087 HydrophobicContact CD2-CE 4.42Å; L994-M1087 HydrophobicContact CD2-SD 3.93Å; L994-F1095 HydrophobicContact CD1-CD1 4.09Å; L994-F1095 HydrophobicContact CD1-CD2 4.2Å; L994-F1095 HydrophobicContact CD1-CE1 4.05Å; L994-F1095 HydrophobicContact CD1-CE2 4.18Å; L994-F1095 HydrophobicContact CD1-CG 4.16Å; L994-F1095 HydrophobicContact CD1-CZ 4.1Å; L994-F1095 HydrophobicContact CD2-CB 4.45Å; L994-F1095 HydrophobicContact CD2-CD2 3.45Å; L994-F1095 VanDerWaalsContact CD2-CD2 3.45Å; L994-F1095 HydrophobicContact CD2-CE2 3.79Å; L994-F1095 HydrophobicContact CD2-CG 3.95Å; L994-F1095 HydrophobicContact CG-CD1 4.5Å; L994-F1095 HydrophobicContact CG-CD2 3.76Å; L994-F1095 HydrophobicContact CG-CE1 4.36Å; L994-F1095 HydrophobicContact CG-CE2 3.6Å; L994-F1095 HydrophobicContact CG-CG 4.22Å; L994-F1095 HydrophobicContact CG-CZ 3.92Å |
| 995 | A | 89.3 | Confident | 89 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.3 | -44 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | A991 E997 C998 R1004 L1007 L1008 | A991-A995 WeakPolarHBondContact O-CB 3.38Å; A991-A995 PolarHBondContact O-N 2.85Å; A995-E997 VanDerWaalsContact C-N 3.3Å; A995-E997 PolarHBondContact O-N 3.08Å; A995-C998 PolarHBondContact O-N 3.3Å; A995-R1004 HydrophobicContact CB-CG 4.16Å; A995-R1004 WeakPolarHBondContact O-CD 3.5Å; A995-R1004 WeakPolarHBondContact O-CG 3.28Å; A995-L1007 HydrophobicContact CB-CB 4.17Å; A995-L1007 HydrophobicContact CB-CD2 3.99Å; A995-L1007 HydrophobicContact CB-CG 4.12Å; A995-L1008 HydrophobicContact CB-CD2 3.72Å; A995-L1008 HydrophobicContact CB-CG 3.83Å |
| 996 | K | 90 | Very high | 88.2 | Confident | 142 Ų | 142 | 35 Ų | 35 | 62% | 0.617 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -57.9 | -41.3 | 177.1 | -179.1 | -178.6 | 172.8 | -177.5 | 0 | 112.2 | K992 V993 L994 R1088 | K992-K996 VanDerWaalsContact O-CB 3.27Å; K992-K996 WeakPolarHBondContact O-CB 3.38Å; K992-K996 PolarHBondContact O-N 2.95Å; V993-K996 PolarHBondContact O-N 3.41Å; L994-K996 PolarHBondContact O-N 3.07Å; K996-R1088 PolarHBondContact O-NH1 2.77Å; K996-R1088 PolarHBondContact O-NH2 3.48Å |
| 997 | E | 88.9 | Confident | 87.8 | Confident | 29 Ų | 29 | 32.1 Ų | 32.1 | 14% | 0.136 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -88.5 | -3.5 | -178.4 | -62.4 | -48.7 | 139.6 | 0 | 0 | 115 | V993 L994 A995 M1087 R1088 Y1093 | V993-E997 PolarHBondContact O-N 2.95Å; L994-E997 PolarHBondContact O-N 3.36Å; A995-E997 VanDerWaalsContact C-N 3.3Å; A995-E997 PolarHBondContact O-N 3.08Å; E997-M1087 HydrophobicContact CB-CE 4.17Å; E997-M1087 CarbonylContact O-C 3.56Å; E997-M1087 WeakPolarHBondContact O-CA 3.35Å; E997-R1088 PolarHBondContact O-N 2.88Å; E997-R1088 IonicContact OE1-NH1 3.63Å; E997-R1088 IonicContact OE2-NH1 2.64Å; E997-R1088 PolarHBondContact OE2-NH1 3.37Å; E997-R1088 VanDerWaalsContact OE2-NH1 3.15Å; E997-Y1093 HydrophobicContact CG-CD2 4.32Å |
| 998 | C | 88.7 | Confident | 87.4 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | B | Isolated β-bridge | trans | -74.3 | 129.2 | 172.8 | -165.6 | 0 | 0 | 0 | 0 | 111.1 | L994 A995 D1000 R1004 A1083 K1086 | L994-C998 PolarHBondContact O-N 3.49Å; A995-C998 PolarHBondContact O-N 3.3Å; C998-D1000 VanDerWaalsContact C-N 3.32Å; C998-R1004 HydrophobicContact CB-CB 4.35Å; C998-R1004 PolarHBondContact O-NH1 2.97Å; C998-R1004 VanDerWaalsContact O-NH1 3.13Å; C998-A1083 HydrophobicContact CB-CB 4.47Å; C998-K1086 CarbonylContact C-O 3.57Å; C998-K1086 WeakPolarHBondContact CA-O 2.95Å |
| 999 | T | 89.5 | Confident | 86.6 | Confident | 12 Ų | 12 | 37.1 Ų | 37.1 | 7% | 0.074 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -78.6 | -15.9 | 175 | 53.8 | 0 | 0 | 0 | 0 | 113.1 | S584 E585 D586 K1086 R1088 | S584-T999 CarbonylContact C-O 3.58Å; E585-T999 WeakPolarHBondContact CB-O 3.44Å; E585-T999 PolarHBondContact N-O 3.07Å; D586-T999 HydrophobicContact CB-CG2 4.2Å; T999-K1086 PolarHBondContact N-O 3.36Å; T999-K1086 PolarHBondContact OG1-O 2.93Å; T999-K1086 VanDerWaalsContact OG1-O 3.09Å; T999-R1088 HydrophobicContact CG2-CB 4.37Å; T999-R1088 HydrophobicContact CG2-CG 3.47Å; T999-R1088 VanDerWaalsContact CG2-CG 3.47Å |
| 1000 | D | 87.8 | Confident | 85.9 | Confident | 6 Ų | 6 | 31.5 Ų | 31.5 | 3% | 0.032 | 15% | 0.149 | C | C | . | . | B | Isolated β-bridge | trans | -91.1 | 115.1 | -177.9 | -162.6 | -48 | 0 | 0 | 0 | 110.7 | N583 C998 R1002 I1003 R1004 K1086 | N583-D1000 PolarHBondContact ND2-OD1 3.18Å; N583-D1000 PolarHBondContact ND2-OD2 2.78Å; C998-D1000 VanDerWaalsContact C-N 3.32Å; D1000-R1002 PolarHBondContact O-N 2.88Å; D1000-R1002 WeakPolarHBondContact OD1-CB 3.42Å; D1000-R1002 VanDerWaalsContact OD1-CG 3.29Å; D1000-R1002 WeakPolarHBondContact OD1-CG 3.47Å; D1000-R1002 PolarHBondContact OD1-N 2.84Å; D1000-I1003 HydrophobicContact CB-CB 4.38Å; D1000-I1003 HydrophobicContact CB-CD1 4.18Å; D1000-I1003 HydrophobicContact CB-CG1 4.07Å; D1000-I1003 PolarHBondContact O-N 3.31Å; D1000-R1004 VanDerWaalsContact O-CB 3.25Å; D1000-R1004 WeakPolarHBondContact O-CB 3.37Å; D1000-R1004 PolarHBondContact O-N 3.23Å; D1000-K1086 HydrophobicContact CB-CB 4.3Å; D1000-K1086 HydrophobicContact CB-CD 3.66Å; D1000-K1086 VanDerWaalsContact OD2-CD 3.27Å; D1000-K1086 WeakPolarHBondContact OD2-CD 3.42Å; D1000-K1086 IonicContact OD2-NZ 3.18Å; D1000-K1086 PolarHBondContact OD2-NZ 2.93Å |
| 1001 | R | 86.3 | Confident | 85.6 | Confident | 111 Ų | 111 | 30.9 Ų | 30.9 | 42% | 0.419 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -57.6 | -32.3 | -179.7 | -63.4 | 177.6 | -167.7 | -63.1 | -12.2 | 111.9 | D582 N583 E585 S1005 | D582-R1001 PolarHBondContact O-NE 3.11Å; N583-R1001 WeakPolarHBondContact O-CG 3.48Å; N583-R1001 PolarHBondContact O-N 3.15Å; N583-R1001 VanDerWaalsContact O-N 3.08Å; E585-R1001 IonicContact OE1-CZ 2.91Å; E585-R1001 IonicContact OE1-NH1 2.69Å; E585-R1001 PolarHBondContact OE1-NH1 3.28Å; E585-R1001 IonicContact OE1-NH2 3.73Å; R1001-S1005 VanDerWaalsContact O-CB 3.25Å; R1001-S1005 WeakPolarHBondContact O-CB 3.43Å; R1001-S1005 PolarHBondContact O-N 2.83Å |
| 1002 | R | 81.1 | Confident | 85.2 | Confident | 9 Ų | 9 | 34 Ų | 34 | 3% | 0.034 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.2 | -59.4 | -178.7 | -57.4 | -175.3 | 174.2 | 156.7 | 15.6 | 111.9 | R579 E580 N583 Y755 D1000 R1004 S1005 N1006 | R579-R1002 PolarHBondContact O-NH2 2.98Å; E580-R1002 VanDerWaalsContact CD-NH1 3.29Å; E580-R1002 VanDerWaalsContact CD-NH2 3.27Å; E580-R1002 IonicContact OE1-CZ 2.7Å; E580-R1002 IonicContact OE1-NH1 2.7Å; E580-R1002 PolarHBondContact OE1-NH1 3.11Å; E580-R1002 IonicContact OE1-NH2 3.78Å; E580-R1002 PolarHBondContact OE1-NH2 3.05Å; E580-R1002 IonicContact OE2-CZ 2.62Å; E580-R1002 VanDerWaalsContact OE2-CZ 3.31Å; E580-R1002 IonicContact OE2-NH1 3.91Å; E580-R1002 PolarHBondContact OE2-NH1 3.35Å; E580-R1002 IonicContact OE2-NH2 3.57Å; E580-R1002 PolarHBondContact OE2-NH2 2.71Å; N583-R1002 WeakPolarHBondContact ND2-CD 3.43Å; N583-R1002 WeakPolarHBondContact ND2-CG 3.47Å; N583-R1002 PolarHBondContact ND2-NE 3.16Å; N583-R1002 WeakPolarHBondContact OD1-CG 3.38Å; N583-R1002 PolarHBondContact OD1-NE 3.05Å; Y755-R1002 HydrophobicContact CD1-CB 3.77Å; Y755-R1002 HydrophobicContact CD1-CG 3.93Å; Y755-R1002 HydrophobicContact CD2-CB 3.34Å; Y755-R1002 HydrophobicContact CD2-CG 3.92Å; Y755-R1002 WeakPolarHBondContact CD2-O 3.27Å; Y755-R1002 HydrophobicContact CE1-CB 3.92Å; Y755-R1002 HydrophobicContact CE1-CG 3.57Å; Y755-R1002 HydrophobicContact CE2-CB 3.5Å; Y755-R1002 HydrophobicContact CE2-CG 3.55Å; Y755-R1002 HydrophobicContact CG-CB 3.46Å; Y755-R1002 VanDerWaalsContact CG-CB 3.46Å; Y755-R1002 HydrophobicContact CG-CG 4.08Å; D1000-R1002 PolarHBondContact O-N 2.88Å; D1000-R1002 WeakPolarHBondContact OD1-CB 3.42Å; D1000-R1002 VanDerWaalsContact OD1-CG 3.29Å; D1000-R1002 WeakPolarHBondContact OD1-CG 3.47Å; D1000-R1002 PolarHBondContact OD1-N 2.84Å; R1002-R1004 VanDerWaalsContact C-N 3.3Å; R1002-R1004 PolarHBondContact O-N 3.39Å; R1002-S1005 PolarHBondContact O-N 2.81Å; R1002-N1006 PolarHBondContact O-N 3.26Å |
| 1003 | I | 82.5 | Confident | 84.7 | Confident | 27 Ų | 27 | 34.4 Ų | 34.4 | 14% | 0.138 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.8 | -39.3 | -173.2 | -48.2 | -177.7 | 0 | 0 | 0 | 108.6 | D1000 N1006 L1007 V1079 A1083 K1086 | D1000-I1003 HydrophobicContact CB-CB 4.38Å; D1000-I1003 HydrophobicContact CB-CD1 4.18Å; D1000-I1003 HydrophobicContact CB-CG1 4.07Å; D1000-I1003 PolarHBondContact O-N 3.31Å; I1003-N1006 PolarHBondContact O-N 3.31Å; I1003-L1007 WeakPolarHBondContact O-CB 3.39Å; I1003-L1007 PolarHBondContact O-N 3Å; I1003-V1079 HydrophobicContact CG2-CG1 3.76Å; I1003-A1083 HydrophobicContact CG2-CB 3.75Å; I1003-K1086 HydrophobicContact CD1-CD 3.94Å |
| 1004 | R | 86.8 | Confident | 84.4 | Confident | 48 Ų | 48 | 32.8 Ų | 32.8 | 18% | 0.181 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -56.7 | -51.8 | 170.7 | 179.4 | 167.2 | 73.4 | -149.5 | 13.2 | 112.7 | E585 A995 C998 D1000 R1002 N1006 L1007 L1008 | E585-R1004 IonicContact OE1-CZ 3Å; E585-R1004 IonicContact OE1-NH1 3.06Å; E585-R1004 PolarHBondContact OE1-NH1 3.16Å; E585-R1004 IonicContact OE1-NH2 3.34Å; E585-R1004 PolarHBondContact OE1-NH2 3.28Å; E585-R1004 IonicContact OE2-CZ 2.72Å; E585-R1004 IonicContact OE2-NH1 2.7Å; E585-R1004 PolarHBondContact OE2-NH1 2.96Å; E585-R1004 IonicContact OE2-NH2 3.72Å; A995-R1004 HydrophobicContact CB-CG 4.16Å; A995-R1004 WeakPolarHBondContact O-CD 3.5Å; A995-R1004 WeakPolarHBondContact O-CG 3.28Å; C998-R1004 HydrophobicContact CB-CB 4.35Å; C998-R1004 PolarHBondContact O-NH1 2.97Å; C998-R1004 VanDerWaalsContact O-NH1 3.13Å; D1000-R1004 VanDerWaalsContact O-CB 3.25Å; D1000-R1004 WeakPolarHBondContact O-CB 3.37Å; D1000-R1004 PolarHBondContact O-N 3.23Å; R1002-R1004 VanDerWaalsContact C-N 3.3Å; R1002-R1004 PolarHBondContact O-N 3.39Å; R1004-N1006 PolarHBondContact O-N 3.07Å; R1004-L1007 PolarHBondContact O-N 3.2Å; R1004-L1008 HydrophobicContact CG-CD1 4.07Å; R1004-L1008 VanDerWaalsContact O-CG 3.31Å; R1004-L1008 WeakPolarHBondContact O-CG 3.49Å; R1004-L1008 PolarHBondContact O-N 3.03Å |
| 1005 | S | 80 | Confident | 84.3 | Confident | 51 Ų | 51 | 34.4 Ų | 34.4 | 36% | 0.357 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -59.9 | -45 | -178.8 | -178.4 | 0 | 0 | 0 | 0 | 111.8 | R1001 R1002 H1009 | R1001-S1005 VanDerWaalsContact O-CB 3.25Å; R1001-S1005 WeakPolarHBondContact O-CB 3.43Å; R1001-S1005 PolarHBondContact O-N 2.83Å; R1002-S1005 PolarHBondContact O-N 2.81Å; S1005-H1009 PolarHBondContact O-N 3.4Å |
| 1006 | N | 76.2 | Confident | 84 | Confident | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.011 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -69 | -40.2 | 178.3 | -159.2 | 30.3 | 0 | 0 | 0 | 112.7 | Y755 R1002 I1003 R1004 L1008 H1009 L1010 V1079 | Y755-N1006 PolarHBondContact O-ND2 3.41Å; R1002-N1006 PolarHBondContact O-N 3.26Å; I1003-N1006 PolarHBondContact O-N 3.31Å; R1004-N1006 PolarHBondContact O-N 3.07Å; N1006-L1008 VanDerWaalsContact C-N 3.33Å; N1006-L1008 PolarHBondContact O-N 3.39Å; N1006-H1009 PolarHBondContact O-N 3.1Å; N1006-L1010 WeakPolarHBondContact O-CB 3.42Å; N1006-L1010 WeakPolarHBondContact O-CG 3.42Å; N1006-L1010 PolarHBondContact O-N 3.34Å; N1006-V1079 HydrophobicContact CB-CG1 4.41Å |
| 1007 | L | 84.6 | Confident | 83.7 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.6 | -39.4 | 179 | -171.5 | 54.2 | 0 | 0 | 0 | 111.8 | A991 L994 A995 I1003 R1004 S1011 T1076 V1079 A1080 A1083 | A991-L1007 HydrophobicContact CB-CD1 3.93Å; A991-L1007 HydrophobicContact CB-CG 4.17Å; A991-L1007 WeakPolarHBondContact O-CD2 3.31Å; L994-L1007 HydrophobicContact CB-CD2 3.81Å; A995-L1007 HydrophobicContact CB-CB 4.17Å; A995-L1007 HydrophobicContact CB-CD2 3.99Å; A995-L1007 HydrophobicContact CB-CG 4.12Å; I1003-L1007 WeakPolarHBondContact O-CB 3.39Å; I1003-L1007 PolarHBondContact O-N 3Å; R1004-L1007 PolarHBondContact O-N 3.2Å; L1007-S1011 VanDerWaalsContact O-CB 3.25Å; L1007-S1011 WeakPolarHBondContact O-CB 3.42Å; L1007-S1011 PolarHBondContact O-N 3.27Å; L1007-S1011 PolarHBondContact O-OG 3.45Å; L1007-T1076 HydrophobicContact CD1-CG2 3.93Å; L1007-V1079 HydrophobicContact CB-CG1 3.8Å; L1007-V1079 HydrophobicContact CD1-CB 4.34Å; L1007-V1079 HydrophobicContact CD1-CG1 4.17Å; L1007-V1079 HydrophobicContact CG-CG1 4.48Å; L1007-A1080 HydrophobicContact CD1-CB 4.28Å; L1007-A1083 HydrophobicContact CD2-CB 3.91Å |
| 1008 | L | 85.5 | Confident | 83.6 | Confident | 65 Ų | 65 | 28.3 Ų | 28.3 | 34% | 0.34 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -62.1 | -51.9 | 171.9 | -69 | 173.4 | 0 | 0 | 0 | 111 | K992 A995 R1004 N1006 L1010 S1011 D1012 | K992-L1008 HydrophobicContact CG-CD2 3.86Å; A995-L1008 HydrophobicContact CB-CD2 3.72Å; A995-L1008 HydrophobicContact CB-CG 3.83Å; R1004-L1008 HydrophobicContact CG-CD1 4.07Å; R1004-L1008 VanDerWaalsContact O-CG 3.31Å; R1004-L1008 WeakPolarHBondContact O-CG 3.49Å; R1004-L1008 PolarHBondContact O-N 3.03Å; N1006-L1008 VanDerWaalsContact C-N 3.33Å; N1006-L1008 PolarHBondContact O-N 3.39Å; L1008-L1010 PolarHBondContact O-N 3.47Å; L1008-S1011 WeakPolarHBondContact O-CB 3.48Å; L1008-S1011 PolarHBondContact O-N 3.17Å; L1008-S1011 VanDerWaalsContact O-N 3.12Å; L1008-S1011 PolarHBondContact O-OG 2.82Å; L1008-D1012 PolarHBondContact O-N 2.77Å |
| 1009 | H | 75.4 | Confident | 83.5 | Confident | 48 Ų | 48 | 32.3 Ų | 32.3 | 22% | 0.222 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -56.6 | -48.9 | -179.8 | 173.9 | 57.4 | 0 | 0 | 0 | 112.8 | Q58 H754 S1005 N1006 S1011 D1012 R1013 | Q58-H1009 VanDerWaalsContact CB-CE1 3.43Å; Q58-H1009 WeakPolarHBondContact CB-CE1 3.24Å; H754-H1009 AromaticContact CE1-CD2 3.84Å; H754-H1009 AromaticContact CE1-CG 3.5Å; H754-H1009 AromaticContact CE1-ND1 3.98Å; H754-H1009 AromaticContact ND1-CD2 3.58Å; H754-H1009 AromaticContact ND1-CG 3.58Å; S1005-H1009 PolarHBondContact O-N 3.4Å; N1006-H1009 PolarHBondContact O-N 3.1Å; H1009-S1011 VanDerWaalsContact C-N 3.33Å; H1009-S1011 PolarHBondContact O-N 3.43Å; H1009-D1012 PolarHBondContact O-N 3.48Å; H1009-R1013 WeakPolarHBondContact O-CB 3.43Å; H1009-R1013 PolarHBondContact O-N 3.37Å |
| 1010 | L | 78.7 | Confident | 83.4 | Confident | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.5 | -39.6 | 176.7 | -68.7 | 172.5 | 0 | 0 | 0 | 111.8 | N1006 L1008 D1012 R1013 I1014 E1075 T1076 V1079 | N1006-L1010 WeakPolarHBondContact O-CB 3.42Å; N1006-L1010 WeakPolarHBondContact O-CG 3.42Å; N1006-L1010 PolarHBondContact O-N 3.34Å; L1008-L1010 PolarHBondContact O-N 3.47Å; L1010-D1012 VanDerWaalsContact C-N 3.34Å; L1010-D1012 PolarHBondContact O-N 3.35Å; L1010-R1013 VanDerWaalsContact CD2-NH1 3.34Å; L1010-R1013 WeakPolarHBondContact O-CB 3.38Å; L1010-R1013 PolarHBondContact O-N 3.02Å; L1010-I1014 WeakPolarHBondContact O-CG1 3.13Å; L1010-I1014 PolarHBondContact O-N 3.32Å; L1010-E1075 HydrophobicContact CD1-CB 4.08Å; L1010-E1075 HydrophobicContact CD2-CB 4.15Å; L1010-E1075 WeakPolarHBondContact CD2-OE2 3.44Å; L1010-T1076 WeakPolarHBondContact CB-OG1 3.41Å; L1010-V1079 HydrophobicContact CD1-CB 4.22Å; L1010-V1079 HydrophobicContact CD1-CG2 3.7Å |
| 1011 | S | 85.7 | Confident | 83.4 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.4 | -40.6 | 177.7 | 79.7 | 0 | 0 | 0 | 0 | 112.3 | N988 L1007 L1008 H1009 I1014 L1015 | N988-S1011 WeakPolarHBondContact ND2-CB 3.19Å; N988-S1011 PolarHBondContact ND2-O 2.97Å; N988-S1011 PolarHBondContact ND2-OG 3.49Å; L1007-S1011 VanDerWaalsContact O-CB 3.25Å; L1007-S1011 WeakPolarHBondContact O-CB 3.42Å; L1007-S1011 PolarHBondContact O-N 3.27Å; L1007-S1011 PolarHBondContact O-OG 3.45Å; L1008-S1011 WeakPolarHBondContact O-CB 3.48Å; L1008-S1011 PolarHBondContact O-N 3.17Å; L1008-S1011 VanDerWaalsContact O-N 3.12Å; L1008-S1011 PolarHBondContact O-OG 2.82Å; H1009-S1011 VanDerWaalsContact C-N 3.33Å; H1009-S1011 PolarHBondContact O-N 3.43Å; S1011-I1014 WeakPolarHBondContact O-CB 3.4Å; S1011-I1014 PolarHBondContact O-N 3.41Å; S1011-L1015 PolarHBondContact O-N 3.07Å |
| 1012 | D | 81.7 | Confident | 83.5 | Confident | 65 Ų | 65 | 32.1 Ų | 32.1 | 35% | 0.348 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -82 | -26.1 | -179 | -69.3 | -35.8 | 0 | 0 | 0 | 112.4 | N988 K992 L1008 H1009 L1010 I1014 L1015 T1016 | N988-D1012 PolarHBondContact ND2-OD1 2.89Å; K992-D1012 WeakPolarHBondContact CE-OD1 3.43Å; K992-D1012 IonicContact NZ-OD1 2.91Å; K992-D1012 PolarHBondContact NZ-OD1 3.02Å; K992-D1012 IonicContact NZ-OD2 3.92Å; L1008-D1012 PolarHBondContact O-N 2.77Å; H1009-D1012 PolarHBondContact O-N 3.48Å; L1010-D1012 VanDerWaalsContact C-N 3.34Å; L1010-D1012 PolarHBondContact O-N 3.35Å; D1012-I1014 VanDerWaalsContact C-N 3.32Å; D1012-I1014 PolarHBondContact O-N 3.28Å; D1012-L1015 PolarHBondContact O-N 3.43Å; D1012-T1016 PolarHBondContact O-N 3.2Å; D1012-T1016 VanDerWaalsContact O-N 3.08Å; D1012-T1016 PolarHBondContact O-OG1 2.94Å |
| 1013 | R | 79.8 | Confident | 83.8 | Confident | 72 Ų | 72 | 37 Ų | 37 | 27% | 0.272 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -58.4 | -43.6 | 165.1 | -161.3 | 176.7 | 90.8 | -162 | 7.3 | 111 | H1009 L1010 L1015 T1016 I1017 S1072 E1075 | H1009-R1013 WeakPolarHBondContact O-CB 3.43Å; H1009-R1013 PolarHBondContact O-N 3.37Å; L1010-R1013 VanDerWaalsContact CD2-NH1 3.34Å; L1010-R1013 WeakPolarHBondContact O-CB 3.38Å; L1010-R1013 PolarHBondContact O-N 3.02Å; R1013-L1015 PolarHBondContact O-N 2.65Å; R1013-T1016 PolarHBondContact O-N 2.88Å; R1013-I1017 HydrophobicContact CG-CD1 4Å; R1013-I1017 WeakPolarHBondContact O-CG1 3.43Å; R1013-I1017 PolarHBondContact O-N 2.93Å; R1013-S1072 VanDerWaalsContact CZ-OG 3.32Å; R1013-S1072 PolarHBondContact NE-OG 3.41Å; R1013-S1072 PolarHBondContact NH2-OG 3.37Å; R1013-E1075 IonicContact CZ-OE2 3.27Å; R1013-E1075 VanDerWaalsContact CZ-OE2 3.3Å; R1013-E1075 IonicContact NH1-OE2 2.69Å; R1013-E1075 PolarHBondContact NH1-OE2 3.02Å; R1013-E1075 IonicContact NH2-OE1 2.84Å; R1013-E1075 IonicContact NH2-OE2 3.94Å; R1013-E1075 PolarHBondContact NH2-OE2 3.16Å |
| 1014 | I | 84.8 | Confident | 83.9 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.4 | -41.2 | 175 | -75 | 167.8 | 0 | 0 | 0 | 112 | V987 L1010 S1011 D1012 G1018 L1069 V1073 T1076 | V987-I1014 HydrophobicContact CG1-CD1 3.86Å; L1010-I1014 WeakPolarHBondContact O-CG1 3.13Å; L1010-I1014 PolarHBondContact O-N 3.32Å; S1011-I1014 WeakPolarHBondContact O-CB 3.4Å; S1011-I1014 PolarHBondContact O-N 3.41Å; D1012-I1014 VanDerWaalsContact C-N 3.32Å; D1012-I1014 PolarHBondContact O-N 3.28Å; I1014-G1018 PolarHBondContact O-N 3.14Å; I1014-L1069 HydrophobicContact CG2-CD1 4.14Å; I1014-V1073 HydrophobicContact CD1-CB 4.43Å; I1014-V1073 HydrophobicContact CD1-CG2 3.8Å; I1014-V1073 HydrophobicContact CG1-CG2 4.12Å; I1014-T1076 HydrophobicContact CD1-CG2 4.21Å; I1014-T1076 WeakPolarHBondContact CD1-OG1 3.5Å |
| 1015 | L | 86.9 | Confident | 83.9 | Confident | 34 Ų | 34 | 35 Ų | 35 | 18% | 0.178 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -68.1 | -38.7 | 177.9 | -66.8 | -173.3 | 0 | 0 | 0 | 113 | L985 N988 S1011 D1012 R1013 N1019 | L985-L1015 HydrophobicContact CD2-CD2 3.63Å; L985-L1015 HydrophobicContact CG-CD2 4.08Å; N988-L1015 HydrophobicContact CB-CD1 4.16Å; N988-L1015 HydrophobicContact CB-CD2 3.67Å; N988-L1015 HydrophobicContact CB-CG 3.87Å; N988-L1015 VanDerWaalsContact CG-CD1 3.45Å; N988-L1015 WeakPolarHBondContact ND2-CD1 3.41Å; N988-L1015 WeakPolarHBondContact ND2-CG 3.45Å; S1011-L1015 PolarHBondContact O-N 3.07Å; D1012-L1015 PolarHBondContact O-N 3.43Å; R1013-L1015 PolarHBondContact O-N 2.65Å; L1015-N1019 PolarHBondContact O-N 3.08Å; L1015-N1019 VanDerWaalsContact O-N 3.12Å; L1015-N1019 PolarHBondContact O-ND2 3.03Å |
| 1016 | T | 82.7 | Confident | 84.2 | Confident | 39 Ų | 39 | 35.6 Ų | 35.6 | 24% | 0.239 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62 | -49.5 | 175.9 | -60.3 | 0 | 0 | 0 | 0 | 110.3 | D1012 R1013 N1019 Q1020 | D1012-T1016 PolarHBondContact O-N 3.2Å; D1012-T1016 VanDerWaalsContact O-N 3.08Å; D1012-T1016 PolarHBondContact O-OG1 2.94Å; R1013-T1016 PolarHBondContact O-N 2.88Å; T1016-N1019 PolarHBondContact O-N 3.44Å; T1016-Q1020 WeakPolarHBondContact O-CG 3.33Å; T1016-Q1020 PolarHBondContact O-N 3.3Å |
| 1017 | I | 83.9 | Confident | 84.7 | Confident | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.4 | -43.7 | -179.7 | -58.7 | 164.8 | 0 | 0 | 0 | 111 | R1013 N1019 Q1020 L1021 N1065 N1068 L1069 S1072 | R1013-I1017 HydrophobicContact CG-CD1 4Å; R1013-I1017 WeakPolarHBondContact O-CG1 3.43Å; R1013-I1017 PolarHBondContact O-N 2.93Å; I1017-N1019 PolarHBondContact O-N 2.94Å; I1017-Q1020 WeakPolarHBondContact O-CB 3.45Å; I1017-Q1020 PolarHBondContact O-N 2.92Å; I1017-L1021 PolarHBondContact O-N 3.11Å; I1017-N1065 WeakPolarHBondContact CG2-O 3.23Å; I1017-N1065 WeakPolarHBondContact CG2-OD1 3.47Å; I1017-N1065 PolarHBondContact O-OD1 2.92Å; I1017-N1065 VanDerWaalsContact O-OD1 3.12Å; I1017-N1068 HydrophobicContact CD1-CB 4.13Å; I1017-L1069 HydrophobicContact CB-CD1 4.14Å; I1017-L1069 HydrophobicContact CG2-CB 3.67Å; I1017-L1069 HydrophobicContact CG2-CD1 4.08Å; I1017-L1069 HydrophobicContact CG2-CG 4.39Å; I1017-S1072 WeakPolarHBondContact CD1-OG 3.49Å |
| 1018 | G | 87.4 | Confident | 84.6 | Confident | 2 Ų | 2 | 38.3 Ų | 38.3 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.8 | -31.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | I1014 K1022 | I1014-G1018 PolarHBondContact O-N 3.14Å; G1018-K1022 PolarHBondContact O-N 3.11Å |
| 1019 | N | 87 | Confident | 84.5 | Confident | 83 Ų | 83 | 35.5 Ų | 35.5 | 44% | 0.444 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -76.8 | -36.1 | 172 | -77.8 | -58.9 | 0 | 0 | 0 | 113.1 | L1015 T1016 I1017 L1021 K1022 I1023 | L1015-N1019 PolarHBondContact O-N 3.08Å; L1015-N1019 VanDerWaalsContact O-N 3.12Å; L1015-N1019 PolarHBondContact O-ND2 3.03Å; T1016-N1019 PolarHBondContact O-N 3.44Å; I1017-N1019 PolarHBondContact O-N 2.94Å; N1019-L1021 VanDerWaalsContact C-N 3.34Å; N1019-K1022 PolarHBondContact O-N 3.24Å; N1019-I1023 WeakPolarHBondContact O-CG1 3.48Å; N1019-I1023 PolarHBondContact O-N 2.99Å |
| 1020 | Q | 86 | Confident | 84.8 | Confident | 53 Ų | 53 | 37.8 Ų | 37.8 | 25% | 0.248 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.2 | -43 | 171.4 | -71.2 | 167.9 | -25.1 | 0 | 0 | 111.3 | T1016 I1017 K1022 I1023 L1024 N1065 | T1016-Q1020 WeakPolarHBondContact O-CG 3.33Å; T1016-Q1020 PolarHBondContact O-N 3.3Å; I1017-Q1020 WeakPolarHBondContact O-CB 3.45Å; I1017-Q1020 PolarHBondContact O-N 2.92Å; Q1020-K1022 VanDerWaalsContact C-N 3.31Å; Q1020-K1022 PolarHBondContact O-N 2.98Å; Q1020-I1023 WeakPolarHBondContact O-CB 3.16Å; Q1020-I1023 PolarHBondContact O-N 3.34Å; Q1020-L1024 WeakPolarHBondContact O-CG 3.41Å; Q1020-L1024 PolarHBondContact O-N 3.38Å; Q1020-N1065 WeakPolarHBondContact CB-ND2 3.46Å; Q1020-N1065 PolarHBondContact OE1-ND2 3.24Å |
| 1021 | L | 88.1 | Confident | 84.6 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -56.6 | -43.6 | 178.1 | -165.7 | 78.4 | 0 | 0 | 0 | 111.8 | M956 L959 I980 I1017 N1019 I1023 L1024 S1025 L1062 N1065 A1066 L1069 | M956-L1021 HydrophobicContact CE-CD2 4.2Å; L959-L1021 HydrophobicContact CD2-CD1 4.31Å; L959-L1021 HydrophobicContact CD2-CD2 4.41Å; I980-L1021 HydrophobicContact CB-CD2 4.01Å; I980-L1021 HydrophobicContact CD1-CD2 4.05Å; I980-L1021 HydrophobicContact CG2-CD2 3.54Å; I1017-L1021 PolarHBondContact O-N 3.11Å; N1019-L1021 VanDerWaalsContact C-N 3.34Å; L1021-I1023 VanDerWaalsContact C-N 3.34Å; L1021-I1023 PolarHBondContact O-N 3.07Å; L1021-L1024 PolarHBondContact O-N 3.35Å; L1021-S1025 VanDerWaalsContact O-CB 3.26Å; L1021-S1025 WeakPolarHBondContact O-CB 3.25Å; L1021-S1025 PolarHBondContact O-N 3.35Å; L1021-S1025 PolarHBondContact O-OG 2.7Å; L1021-S1025 VanDerWaalsContact O-OG 3.06Å; L1021-L1062 HydrophobicContact CD1-CD1 3.79Å; L1021-N1065 WeakPolarHBondContact CA-OD1 3.45Å; L1021-N1065 WeakPolarHBondContact CB-OD1 3.46Å; L1021-N1065 HydrophobicContact CD1-CB 4.46Å; L1021-N1065 PolarHBondContact N-OD1 2.69Å; L1021-N1065 VanDerWaalsContact N-OD1 3.09Å; L1021-A1066 HydrophobicContact CD1-CB 4.22Å; L1021-L1069 HydrophobicContact CD2-CD2 4Å |
| 1022 | K | 88.4 | Confident | 83.7 | Confident | 73 Ų | 73 | 41.4 Ų | 41.4 | 32% | 0.317 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -58.7 | -43.2 | 173.9 | -73.8 | 167.4 | 56.2 | -177.5 | 0 | 112.4 | A981 G1018 N1019 Q1020 T1026 | A981-K1022 HydrophobicContact CB-CD 3.39Å; A981-K1022 HydrophobicContact CB-CG 3.77Å; G1018-K1022 PolarHBondContact O-N 3.11Å; N1019-K1022 PolarHBondContact O-N 3.24Å; Q1020-K1022 VanDerWaalsContact C-N 3.31Å; Q1020-K1022 PolarHBondContact O-N 2.98Å; K1022-T1026 WeakPolarHBondContact O-CB 3.4Å; K1022-T1026 PolarHBondContact O-N 2.89Å; K1022-T1026 PolarHBondContact O-OG1 2.9Å |
| 1023 | I | 87.2 | Confident | 82.5 | Confident | 112 Ų | 112 | 40.2 Ų | 40.2 | 57% | 0.574 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -66.4 | -52 | -179.7 | -64.2 | 165.6 | 0 | 0 | 0 | 109.6 | N1019 Q1020 L1021 S1025 T1026 V1027 | N1019-I1023 WeakPolarHBondContact O-CG1 3.48Å; N1019-I1023 PolarHBondContact O-N 2.99Å; Q1020-I1023 WeakPolarHBondContact O-CB 3.16Å; Q1020-I1023 PolarHBondContact O-N 3.34Å; L1021-I1023 VanDerWaalsContact C-N 3.34Å; L1021-I1023 PolarHBondContact O-N 3.07Å; I1023-S1025 PolarHBondContact O-N 2.85Å; I1023-T1026 WeakPolarHBondContact O-CA 3.32Å; I1023-T1026 WeakPolarHBondContact O-CB 3.37Å; I1023-T1026 PolarHBondContact O-N 3.33Å; I1023-V1027 PolarHBondContact O-N 3.26Å |
| 1024 | L | 85.9 | Confident | 81.1 | Confident | 31 Ų | 31 | 41.9 Ų | 41.9 | 16% | 0.162 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.5 | -44.6 | 179.9 | -67.7 | 167.4 | 0 | 0 | 0 | 112.2 | Q1020 L1021 T1026 V1027 K1028 L1062 N1065 | Q1020-L1024 WeakPolarHBondContact O-CG 3.41Å; Q1020-L1024 PolarHBondContact O-N 3.38Å; L1021-L1024 PolarHBondContact O-N 3.35Å; L1024-T1026 VanDerWaalsContact C-N 3.26Å; L1024-T1026 PolarHBondContact O-N 2.99Å; L1024-V1027 PolarHBondContact O-N 3.17Å; L1024-K1028 WeakPolarHBondContact O-CB 3.13Å; L1024-K1028 PolarHBondContact O-N 2.75Å; L1024-L1062 HydrophobicContact CB-CB 4.45Å; L1024-L1062 HydrophobicContact CB-CD1 3.85Å; L1024-N1065 HydrophobicContact CD1-CB 3.52Å |
| 1025 | S | 86.4 | Confident | 79.2 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.5 | -31.9 | 173.4 | -67.7 | 0 | 0 | 0 | 0 | 113 | S977 L1021 I1023 A1029 | S977-S1025 WeakPolarHBondContact CB-OG 3.4Å; S977-S1025 WeakPolarHBondContact OG-CB 3.22Å; L1021-S1025 VanDerWaalsContact O-CB 3.26Å; L1021-S1025 WeakPolarHBondContact O-CB 3.25Å; L1021-S1025 PolarHBondContact O-N 3.35Å; L1021-S1025 PolarHBondContact O-OG 2.7Å; L1021-S1025 VanDerWaalsContact O-OG 3.06Å; I1023-S1025 PolarHBondContact O-N 2.85Å; S1025-A1029 WeakPolarHBondContact O-CB 3.47Å; S1025-A1029 PolarHBondContact O-N 3.28Å |
| 1026 | T | 87 | Confident | 77.2 | Confident | 65 Ų | 65 | 54.2 Ų | 54.2 | 40% | 0.399 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -71.7 | -41.6 | 175.1 | -56.9 | 0 | 0 | 0 | 0 | 111.2 | K1022 I1023 L1024 A1029 T1030 | K1022-T1026 WeakPolarHBondContact O-CB 3.4Å; K1022-T1026 PolarHBondContact O-N 2.89Å; K1022-T1026 PolarHBondContact O-OG1 2.9Å; I1023-T1026 WeakPolarHBondContact O-CA 3.32Å; I1023-T1026 WeakPolarHBondContact O-CB 3.37Å; I1023-T1026 PolarHBondContact O-N 3.33Å; L1024-T1026 VanDerWaalsContact C-N 3.26Å; L1024-T1026 PolarHBondContact O-N 2.99Å; T1026-A1029 PolarHBondContact O-N 2.63Å; T1026-T1030 PolarHBondContact O-N 3.06Å |
| 1027 | V | 86.4 | Confident | 75.2 | Confident | 51 Ų | 51 | 60 Ų | 60 | 31% | 0.309 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62 | -53.6 | 174.6 | 178.4 | 0 | 0 | 0 | 0 | 110.2 | I1023 L1024 A1029 T1030 M1031 N1058 | I1023-V1027 PolarHBondContact O-N 3.26Å; L1024-V1027 PolarHBondContact O-N 3.17Å; V1027-A1029 PolarHBondContact O-N 3.3Å; V1027-T1030 WeakPolarHBondContact O-CA 3.27Å; V1027-T1030 PolarHBondContact O-N 2.88Å; V1027-T1030 PolarHBondContact O-OG1 3.44Å; V1027-M1031 PolarHBondContact O-N 3.42Å; V1027-N1058 VanDerWaalsContact CG1-OD1 3.25Å; V1027-N1058 WeakPolarHBondContact CG1-OD1 3.43Å |
| 1028 | K | 82.4 | Confident | 72.9 | Confident | 8 Ų | 8 | 65 Ų | 65 | 4% | 0.035 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -54.8 | -38.7 | 175.7 | -176.8 | 64.7 | -178.9 | -177.9 | 0 | 112.5 | L973 L1024 T1030 M1031 L1032 D1055 T1059 L1062 | L973-K1028 HydrophobicContact CD2-CB 4.15Å; L973-K1028 HydrophobicContact CD2-CG 3.91Å; L1024-K1028 WeakPolarHBondContact O-CB 3.13Å; L1024-K1028 PolarHBondContact O-N 2.75Å; K1028-T1030 VanDerWaalsContact C-N 3.27Å; K1028-T1030 PolarHBondContact O-N 2.94Å; K1028-M1031 PolarHBondContact O-N 2.9Å; K1028-L1032 HydrophobicContact CD-CG 4.49Å; K1028-L1032 HydrophobicContact CG-CD1 4.25Å; K1028-L1032 HydrophobicContact CG-CG 4.43Å; K1028-L1032 WeakPolarHBondContact O-CG 3.49Å; K1028-L1032 PolarHBondContact O-N 3.21Å; K1028-D1055 WeakPolarHBondContact CD-OD1 3.45Å; K1028-D1055 WeakPolarHBondContact CE-OD1 3.33Å; K1028-D1055 IonicContact NZ-OD1 2.74Å; K1028-D1055 PolarHBondContact NZ-OD1 3.21Å; K1028-D1055 IonicContact NZ-OD2 3.98Å; K1028-D1055 PolarHBondContact NZ-OD2 2.99Å; K1028-T1059 WeakPolarHBondContact CE-OG1 3.37Å; K1028-T1059 PolarHBondContact NZ-OG1 2.7Å; K1028-L1062 HydrophobicContact CB-CD2 4.41Å; K1028-L1062 HydrophobicContact CG-CD2 4.33Å |
| 1029 | A | 83.7 | Confident | 70.6 | Confident | 5 Ų | 5 | 75.8 Ų | 75.8 | 4% | 0.041 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -66.2 | -21.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | K970 L973 I974 S1025 T1026 V1027 | K970-A1029 HydrophobicContact CB-CB 4.45Å; K970-A1029 WeakPolarHBondContact CD-O 3.38Å; L973-A1029 HydrophobicContact CD2-CB 4.15Å; I974-A1029 HydrophobicContact CD1-CB 3.73Å; I974-A1029 HydrophobicContact CG1-CB 3.7Å; S1025-A1029 WeakPolarHBondContact O-CB 3.47Å; S1025-A1029 PolarHBondContact O-N 3.28Å; T1026-A1029 PolarHBondContact O-N 2.63Å; V1027-A1029 PolarHBondContact O-N 3.3Å |
| 1030 | T | 81.8 | Confident | 68.4 | Low | 96 Ų | 96 | 81.2 Ų | 81.2 | 59% | 0.589 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -80.6 | -30.9 | 171.7 | 60 | 0 | 0 | 0 | 0 | 113.1 | T1026 V1027 K1028 | T1026-T1030 PolarHBondContact O-N 3.06Å; V1027-T1030 WeakPolarHBondContact O-CA 3.27Å; V1027-T1030 PolarHBondContact O-N 2.88Å; V1027-T1030 PolarHBondContact O-OG1 3.44Å; K1028-T1030 VanDerWaalsContact C-N 3.27Å; K1028-T1030 PolarHBondContact O-N 2.94Å |
| 1031 | M | 73.4 | Confident | 65.9 | Low | 26 Ų | 26 | 82.3 Ų | 82.3 | 13% | 0.128 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -79.8 | -42.5 | -178.5 | -56.6 | -163.6 | 80.2 | 0 | 0 | 112.8 | V1027 K1028 G1033 T1034 E1054 D1055 N1058 | V1027-M1031 PolarHBondContact O-N 3.42Å; K1028-M1031 PolarHBondContact O-N 2.9Å; M1031-G1033 PolarHBondContact O-N 3.12Å; M1031-G1033 VanDerWaalsContact O-N 3.14Å; M1031-T1034 PolarHBondContact O-N 3.37Å; M1031-T1034 PolarHBondContact O-OG1 3.39Å; M1031-E1054 HydrophobicContact CE-CB 3.7Å; M1031-E1054 HydrophobicContact CE-CG 3.51Å; M1031-E1054 HydrophobicContact SD-CG 4.08Å; M1031-D1055 WeakPolarHBondContact CB-OD1 3.45Å; M1031-D1055 HydrophobicContact CE-CB 3.97Å; M1031-D1055 HydrophobicContact SD-CB 4.2Å; M1031-N1058 HydrophobicContact SD-CB 4.27Å |
| 1032 | L | 66.9 | Low | 63.4 | Low | 53 Ų | 53 | 86.8 Ų | 86.8 | 28% | 0.277 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | 118.4 | 170.6 | -75.9 | 171.9 | 0 | 0 | 0 | 110 | K970 L973 K1028 | K970-L1032 WeakPolarHBondContact CD-O 3.39Å; K970-L1032 WeakPolarHBondContact CE-O 3.33Å; K970-L1032 PolarHBondContact NZ-O 2.97Å; L973-L1032 HydrophobicContact CD2-CD1 3.7Å; K1028-L1032 HydrophobicContact CD-CG 4.49Å; K1028-L1032 HydrophobicContact CG-CD1 4.25Å; K1028-L1032 HydrophobicContact CG-CG 4.43Å; K1028-L1032 WeakPolarHBondContact O-CG 3.49Å; K1028-L1032 PolarHBondContact O-N 3.21Å |
| 1033 | G | 55.6 | Low | 60.8 | Low | 39 Ų | 39 | 89.6 Ų | 89.6 | 40% | 0.402 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.6 | 48.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | K970 M1031 | K970-G1033 PolarHBondContact NZ-O 3.17Å; K970-G1033 VanDerWaalsContact NZ-O 3.08Å; M1031-G1033 PolarHBondContact O-N 3.12Å; M1031-G1033 VanDerWaalsContact O-N 3.14Å |
| 1034 | T | 51.3 | Low | 58.4 | Low | 108 Ų | 108 | 92 Ų | 92 | 66% | 0.663 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -102.7 | -6.9 | 156 | 49.9 | 0 | 0 | 0 | 0 | 112.8 | M1031 | M1031-T1034 PolarHBondContact O-N 3.37Å; M1031-T1034 PolarHBondContact O-OG1 3.39Å |
| 1035 | Q | 45.8 | Very low | 55.8 | Low | 149 Ų | 149 | 97.8 Ų | 97.8 | 70% | 0.696 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -94.8 | -23.3 | -172.3 | -68.3 | 179.9 | -13 | 0 | 0 | 114.6 | ||
| 1036 | D | 43.3 | Very low | 53.2 | Low | 144 Ų | 144 | 103.3 Ų | 103.3 | 77% | 0.77 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -19.5 | -170 | -65.3 | -56.8 | 0 | 0 | 0 | 115.2 | S1038 | D1036-S1038 VanDerWaalsContact C-N 3.3Å; D1036-S1038 PolarHBondContact O-N 2.94Å |
| 1037 | D | 40.5 | Very low | 50.7 | Low | 159 Ų | 159 | 109 Ų | 109 | 85% | 0.85 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | 6.5 | -173 | -84.3 | -34.8 | 0 | 0 | 0 | 114.6 | W1039 | D1037-W1039 VanDerWaalsContact C-N 3.28Å; D1037-W1039 PolarHBondContact O-N 2.97Å; D1037-W1039 VanDerWaalsContact O-N 3.16Å |
| 1038 | S | 35.8 | Very low | 48.5 | Very low | 109 Ų | 109 | 114.9 Ų | 114.9 | 76% | 0.762 | 64% | 0.644 | S | S | * | * | trans | -82.5 | 18.4 | -172.3 | 69.1 | 0 | 0 | 0 | 0 | 116.1 | D1036 F1040 | D1036-S1038 VanDerWaalsContact C-N 3.3Å; D1036-S1038 PolarHBondContact O-N 2.94Å; S1038-F1040 PolarHBondContact O-N 3.44Å; S1038-F1040 VanDerWaalsContact O-N 3.1Å | ||
| 1039 | W | 39.3 | Very low | 46.5 | Very low | 228 Ų | 228 | 120.6 Ų | 120.6 | 86% | 0.864 | 68% | 0.675 | S | S | * | * | trans | -83.6 | 71.3 | 176.7 | -166.5 | -38.8 | 0 | 0 | 0 | 111.8 | D1037 | D1037-W1039 VanDerWaalsContact C-N 3.28Å; D1037-W1039 PolarHBondContact O-N 2.97Å; D1037-W1039 VanDerWaalsContact O-N 3.16Å | ||
| 1040 | F | 40.3 | Very low | 44.3 | Very low | 196 Ų | 196 | 124.9 Ų | 124.9 | 86% | 0.86 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -177 | 84.1 | 141.4 | -109.6 | -72.1 | 0 | 0 | 0 | 113.8 | S1038 | S1038-F1040 PolarHBondContact O-N 3.44Å; S1038-F1040 VanDerWaalsContact O-N 3.1Å |
| 1041 | G | 33.9 | Very low | 42.7 | Very low | 77 Ų | 77 | 122.7 Ų | 122.7 | 79% | 0.794 | 70% | 0.699 | S | S | * | * | trans | 61.5 | 95.7 | 140.1 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 1042 | A | 35.9 | Very low | 42.2 | Very low | 94 Ų | 94 | 124.4 Ų | 124.4 | 78% | 0.777 | 71% | 0.714 | S | S | * | * | trans | -163.1 | 129.4 | 134.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1043 | P | 33.1 | Very low | 42.3 | Very low | 132 Ų | 132 | 125.2 Ų | 125.2 | 86% | 0.857 | 72% | 0.721 | S | S | * | * | trans | -95.3 | 107.7 | 170.9 | 33.5 | -28.5 | 0 | 0 | 0 | 111.5 | ||||
| 1044 | L | 37.6 | Very low | 43.2 | Very low | 161 Ų | 161 | 128.1 Ų | 128.1 | 84% | 0.843 | 72% | 0.724 | S | S | * | * | trans | -151.8 | 155 | 169.1 | -115.9 | 151.8 | 0 | 0 | 0 | 110.7 | ||||
| 1045 | Q | 30.8 | Very low | 44.3 | Very low | 153 Ų | 153 | 125 Ų | 125 | 72% | 0.715 | 70% | 0.703 | S | S | * | * | trans | -75.1 | 149.3 | -158.6 | -83.3 | 77.3 | 0.1 | 0 | 0 | 116.9 | ||||
| 1046 | S | 31.4 | Very low | 45.6 | Very low | 116 Ų | 116 | 122.4 Ų | 122.4 | 81% | 0.811 | 69% | 0.691 | S | S | * | * | S | Bend | trans | 73.1 | 37.3 | 136.2 | 67.3 | 0 | 0 | 0 | 0 | 122 | ||
| 1047 | E | 36.5 | Very low | 47.1 | Very low | 185 Ų | 185 | 121.1 Ų | 121.1 | 86% | 0.864 | 68% | 0.681 | S | S | * | * | trans | -128.9 | 6.3 | 167.9 | -68.9 | -169.3 | 140.1 | 0 | 0 | 115.8 | ||||
| 1048 | L | 39.2 | Very low | 49 | Very low | 175 Ų | 175 | 114.8 Ų | 114.8 | 92% | 0.916 | 65% | 0.647 | S | S | * | * | trans | -102.7 | 94.5 | 176.6 | -71 | 94.1 | 0 | 0 | 0 | 112.5 | ||||
| 1049 | D | 40.7 | Very low | 51.1 | Low | 128 Ų | 128 | 110.8 Ų | 110.8 | 68% | 0.684 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -152.4 | -2.8 | 162.7 | -136.5 | 3.3 | 0 | 0 | 0 | 113.8 | S1052 | D1049-S1052 PolarHBondContact O-OG 3.3Š|
| 1050 | C | 37.9 | Very low | 52.9 | Low | 95 Ų | 95 | 105 Ų | 105 | 64% | 0.642 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -86.5 | -27.3 | -172.6 | -164.7 | 0 | 0 | 0 | 0 | 114.1 | T1053 | C1050-T1053 PolarHBondContact O-OG1 2.74Å |
| 1051 | G | 47.9 | Very low | 54.8 | Low | 49 Ų | 49 | 97.7 Ų | 97.7 | 51% | 0.505 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -81.2 | -15.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 1052 | S | 62.3 | Low | 57.3 | Low | 62 Ų | 62 | 94 Ų | 94 | 43% | 0.434 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -84.2 | -40.1 | 176.8 | 36.2 | 0 | 0 | 0 | 0 | 112 | D1049 Q1056 | D1049-S1052 PolarHBondContact O-OG 3.3Å; S1052-Q1056 WeakPolarHBondContact O-CB 3.46Å; S1052-Q1056 PolarHBondContact O-N 2.93Å |
| 1053 | T | 68.7 | Low | 59.5 | Low | 71 Ų | 71 | 90.6 Ų | 90.6 | 44% | 0.436 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.1 | -47.6 | -177.7 | 55.5 | 0 | 0 | 0 | 0 | 111.8 | C1050 D1055 Q1056 E1057 | C1050-T1053 PolarHBondContact O-OG1 2.74Å; T1053-D1055 VanDerWaalsContact C-N 3.31Å; T1053-D1055 PolarHBondContact O-N 3.44Å; T1053-Q1056 PolarHBondContact O-N 3.22Å; T1053-E1057 WeakPolarHBondContact O-CG 3.38Å; T1053-E1057 PolarHBondContact O-N 3.46Å |
| 1054 | E | 74 | Confident | 61.4 | Low | 100 Ų | 100 | 85.2 Ų | 85.2 | 47% | 0.467 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.5 | -33.4 | 179.7 | -175.2 | -174.1 | -165.9 | 0 | 0 | 111.8 | M1031 N1058 | M1031-E1054 HydrophobicContact CE-CB 3.7Å; M1031-E1054 HydrophobicContact CE-CG 3.51Å; M1031-E1054 HydrophobicContact SD-CG 4.08Å; E1054-N1058 WeakPolarHBondContact O-CB 3.34Å; E1054-N1058 PolarHBondContact O-N 3.1Å; E1054-N1058 PolarHBondContact O-ND2 3.1Å |
| 1055 | D | 74.9 | Confident | 63.6 | Low | 41 Ų | 41 | 78 Ų | 78 | 22% | 0.219 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -73.9 | -32.5 | 176 | -171.9 | 62.8 | 0 | 0 | 0 | 112.3 | K1028 M1031 T1053 T1059 | K1028-D1055 WeakPolarHBondContact CD-OD1 3.45Å; K1028-D1055 WeakPolarHBondContact CE-OD1 3.33Å; K1028-D1055 IonicContact NZ-OD1 2.74Å; K1028-D1055 PolarHBondContact NZ-OD1 3.21Å; K1028-D1055 IonicContact NZ-OD2 3.98Å; K1028-D1055 PolarHBondContact NZ-OD2 2.99Å; M1031-D1055 WeakPolarHBondContact CB-OD1 3.45Å; M1031-D1055 HydrophobicContact CE-CB 3.97Å; M1031-D1055 HydrophobicContact SD-CB 4.2Å; T1053-D1055 VanDerWaalsContact C-N 3.31Å; T1053-D1055 PolarHBondContact O-N 3.44Å; D1055-T1059 WeakPolarHBondContact O-CB 3.4Å; D1055-T1059 PolarHBondContact O-N 2.93Å; D1055-T1059 VanDerWaalsContact O-N 3.11Å; D1055-T1059 PolarHBondContact O-OG1 2.86Å |
| 1056 | Q | 73.2 | Confident | 66.3 | Low | 96 Ų | 96 | 70.7 Ų | 70.7 | 45% | 0.449 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -67.4 | -51.1 | 171.2 | -179.3 | 63.6 | 22.6 | 0 | 0 | 111.1 | S1052 T1053 N1058 T1059 E1060 | S1052-Q1056 WeakPolarHBondContact O-CB 3.46Å; S1052-Q1056 PolarHBondContact O-N 2.93Å; T1053-Q1056 PolarHBondContact O-N 3.22Å; Q1056-N1058 PolarHBondContact O-N 3.12Å; Q1056-T1059 CarbonylContact O-C 3.59Å; Q1056-T1059 WeakPolarHBondContact O-CA 3.22Å; Q1056-T1059 VanDerWaalsContact O-CB 3.3Å; Q1056-T1059 WeakPolarHBondContact O-CB 3.43Å; Q1056-T1059 PolarHBondContact O-N 2.75Å; Q1056-E1060 PolarHBondContact NE2-OE1 2.9Å; Q1056-E1060 PolarHBondContact O-N 3.05Å |
| 1057 | E | 74.2 | Confident | 68.6 | Low | 117 Ų | 117 | 66 Ų | 66 | 55% | 0.547 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -54.8 | -49.2 | 176.9 | -73.3 | 169.9 | -163 | 0 | 0 | 111.3 | T1053 T1059 E1060 S1061 | T1053-E1057 WeakPolarHBondContact O-CG 3.38Å; T1053-E1057 PolarHBondContact O-N 3.46Å; E1057-T1059 PolarHBondContact O-N 3.35Å; E1057-E1060 PolarHBondContact O-N 2.78Å; E1057-E1060 VanDerWaalsContact O-N 3.14Å; E1057-S1061 PolarHBondContact O-N 3.4Å; E1057-S1061 PolarHBondContact O-OG 3.05Å |
| 1058 | N | 80.4 | Confident | 70.5 | Confident | 25 Ų | 25 | 58.1 Ų | 58.1 | 13% | 0.134 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.6 | -26.6 | 176.2 | -81.2 | -74.2 | 0 | 0 | 0 | 113.4 | V1027 M1031 E1054 Q1056 L1062 | V1027-N1058 VanDerWaalsContact CG1-OD1 3.25Å; V1027-N1058 WeakPolarHBondContact CG1-OD1 3.43Å; M1031-N1058 HydrophobicContact SD-CB 4.27Å; E1054-N1058 WeakPolarHBondContact O-CB 3.34Å; E1054-N1058 PolarHBondContact O-N 3.1Å; E1054-N1058 PolarHBondContact O-ND2 3.1Å; Q1056-N1058 PolarHBondContact O-N 3.12Å; N1058-L1062 VanDerWaalsContact O-CB 3.31Å; N1058-L1062 WeakPolarHBondContact O-CB 3.28Å; N1058-L1062 PolarHBondContact O-N 3.31Å; N1058-L1062 VanDerWaalsContact O-N 3.15Å |
| 1059 | T | 81.7 | Confident | 72.9 | Confident | 26 Ų | 26 | 49.8 Ų | 49.8 | 16% | 0.16 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -72.3 | -42.6 | 172.8 | -54.9 | 0 | 0 | 0 | 0 | 110.8 | V963 K1028 D1055 Q1056 E1057 L1062 V1063 | V963-T1059 HydrophobicContact CG1-CG2 4.2Å; K1028-T1059 WeakPolarHBondContact CE-OG1 3.37Å; K1028-T1059 PolarHBondContact NZ-OG1 2.7Å; D1055-T1059 WeakPolarHBondContact O-CB 3.4Å; D1055-T1059 PolarHBondContact O-N 2.93Å; D1055-T1059 VanDerWaalsContact O-N 3.11Å; D1055-T1059 PolarHBondContact O-OG1 2.86Å; Q1056-T1059 CarbonylContact O-C 3.59Å; Q1056-T1059 WeakPolarHBondContact O-CA 3.22Å; Q1056-T1059 VanDerWaalsContact O-CB 3.3Å; Q1056-T1059 WeakPolarHBondContact O-CB 3.43Å; Q1056-T1059 PolarHBondContact O-N 2.75Å; E1057-T1059 PolarHBondContact O-N 3.35Å; T1059-L1062 PolarHBondContact O-N 3.08Å; T1059-V1063 HydrophobicContact CG2-CG2 4.45Å; T1059-V1063 WeakPolarHBondContact O-CB 3.44Å; T1059-V1063 VanDerWaalsContact O-CG2 3.22Å; T1059-V1063 WeakPolarHBondContact O-CG2 3.21Å; T1059-V1063 PolarHBondContact O-N 3.3Å |
| 1060 | E | 76.3 | Confident | 75.2 | Confident | 107 Ų | 107 | 43.8 Ų | 43.8 | 50% | 0.5 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.7 | -44.3 | 177.6 | -70.3 | 175 | -172.3 | 0 | 0 | 111.6 | Q1056 E1057 L1062 V1063 G1064 | Q1056-E1060 PolarHBondContact NE2-OE1 2.9Å; Q1056-E1060 PolarHBondContact O-N 3.05Å; E1057-E1060 PolarHBondContact O-N 2.78Å; E1057-E1060 VanDerWaalsContact O-N 3.14Å; E1060-L1062 VanDerWaalsContact C-N 3.32Å; E1060-L1062 PolarHBondContact O-N 2.68Å; E1060-V1063 WeakPolarHBondContact O-CB 3.25Å; E1060-V1063 PolarHBondContact O-N 2.85Å; E1060-G1064 PolarHBondContact O-N 3.38Å |
| 1061 | S | 79.4 | Confident | 77 | Confident | 41 Ų | 41 | 42.9 Ų | 42.9 | 29% | 0.287 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58.4 | -42.4 | 171.5 | -56.4 | 0 | 0 | 0 | 0 | 112.2 | E1057 N1065 | E1057-S1061 PolarHBondContact O-N 3.4Å; E1057-S1061 PolarHBondContact O-OG 3.05Å; S1061-N1065 VanDerWaalsContact O-CB 3.28Å; S1061-N1065 WeakPolarHBondContact O-CB 3.42Å; S1061-N1065 PolarHBondContact O-N 3.01Å |
| 1062 | L | 86.3 | Confident | 78.6 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66 | -39 | 177.5 | -176.8 | 64.7 | 0 | 0 | 0 | 112.1 | V963 L1021 L1024 K1028 N1058 T1059 E1060 A1066 | V963-L1062 HydrophobicContact CG1-CD2 4.5Å; V963-L1062 HydrophobicContact CG2-CD2 3.65Å; L1021-L1062 HydrophobicContact CD1-CD1 3.79Å; L1024-L1062 HydrophobicContact CB-CB 4.45Å; L1024-L1062 HydrophobicContact CB-CD1 3.85Å; K1028-L1062 HydrophobicContact CB-CD2 4.41Å; K1028-L1062 HydrophobicContact CG-CD2 4.33Å; N1058-L1062 VanDerWaalsContact O-CB 3.31Å; N1058-L1062 WeakPolarHBondContact O-CB 3.28Å; N1058-L1062 PolarHBondContact O-N 3.31Å; N1058-L1062 VanDerWaalsContact O-N 3.15Å; T1059-L1062 PolarHBondContact O-N 3.08Å; E1060-L1062 VanDerWaalsContact C-N 3.32Å; E1060-L1062 PolarHBondContact O-N 2.68Å; L1062-A1066 VanDerWaalsContact O-CB 3.3Å; L1062-A1066 WeakPolarHBondContact O-CB 3.31Å; L1062-A1066 PolarHBondContact O-N 3.35Å |
| 1063 | V | 83.1 | Confident | 79.9 | Confident | 23 Ų | 23 | 37.7 Ų | 37.7 | 14% | 0.139 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.5 | -51.9 | 175.2 | 166.8 | 0 | 0 | 0 | 0 | 111 | P923 I924 T1059 E1060 N1065 A1066 Q1067 | P923-V1063 HydrophobicContact CB-CG1 3.64Å; P923-V1063 HydrophobicContact CG-CB 4.47Å; P923-V1063 HydrophobicContact CG-CG1 3.53Å; P923-V1063 HydrophobicContact CG-CG2 4.01Å; I924-V1063 HydrophobicContact CD1-CG2 3.95Å; I924-V1063 HydrophobicContact CG1-CB 4.41Å; I924-V1063 HydrophobicContact CG1-CG2 3.87Å; T1059-V1063 HydrophobicContact CG2-CG2 4.45Å; T1059-V1063 WeakPolarHBondContact O-CB 3.44Å; T1059-V1063 VanDerWaalsContact O-CG2 3.22Å; T1059-V1063 WeakPolarHBondContact O-CG2 3.21Å; T1059-V1063 PolarHBondContact O-N 3.3Å; E1060-V1063 WeakPolarHBondContact O-CB 3.25Å; E1060-V1063 PolarHBondContact O-N 2.85Å; V1063-N1065 VanDerWaalsContact C-N 3.32Å; V1063-N1065 PolarHBondContact O-N 2.93Å; V1063-A1066 PolarHBondContact O-N 3.28Å; V1063-Q1067 WeakPolarHBondContact O-CG 3.42Å; V1063-Q1067 PolarHBondContact O-N 2.71Å |
| 1064 | G | 72.9 | Confident | 80.5 | Confident | 18 Ų | 18 | 35 Ų | 35 | 19% | 0.186 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.8 | -40.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E1060 Q1067 N1068 | E1060-G1064 PolarHBondContact O-N 3.38Å; G1064-Q1067 PolarHBondContact O-N 2.92Å; G1064-N1068 WeakPolarHBondContact O-CB 3.49Å; G1064-N1068 PolarHBondContact O-N 3.17Å; G1064-N1068 PolarHBondContact O-OD1 2.65Å |
| 1065 | N | 84.5 | Confident | 80.6 | Confident | 10 Ų | 10 | 31.3 Ų | 31.3 | 5% | 0.053 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.8 | -41.1 | 176.9 | -157.4 | -99.6 | 0 | 0 | 0 | 112.5 | I1017 Q1020 L1021 L1024 S1061 V1063 N1068 L1069 | I1017-N1065 WeakPolarHBondContact CG2-O 3.23Å; I1017-N1065 WeakPolarHBondContact CG2-OD1 3.47Å; I1017-N1065 PolarHBondContact O-OD1 2.92Å; I1017-N1065 VanDerWaalsContact O-OD1 3.12Å; Q1020-N1065 WeakPolarHBondContact CB-ND2 3.46Å; Q1020-N1065 PolarHBondContact OE1-ND2 3.24Å; L1021-N1065 WeakPolarHBondContact CA-OD1 3.45Å; L1021-N1065 WeakPolarHBondContact CB-OD1 3.46Å; L1021-N1065 HydrophobicContact CD1-CB 4.46Å; L1021-N1065 PolarHBondContact N-OD1 2.69Å; L1021-N1065 VanDerWaalsContact N-OD1 3.09Å; L1024-N1065 HydrophobicContact CD1-CB 3.52Å; S1061-N1065 VanDerWaalsContact O-CB 3.28Å; S1061-N1065 WeakPolarHBondContact O-CB 3.42Å; S1061-N1065 PolarHBondContact O-N 3.01Å; V1063-N1065 VanDerWaalsContact C-N 3.32Å; V1063-N1065 PolarHBondContact O-N 2.93Å; N1065-N1068 PolarHBondContact O-N 3.26Å; N1065-L1069 WeakPolarHBondContact O-CB 3.45Å; N1065-L1069 PolarHBondContact O-N 2.8Å |
| 1066 | A | 86.4 | Confident | 81.1 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.4 | -43 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | I924 M956 L1021 L1062 V1063 L1069 M1070 | I924-A1066 HydrophobicContact CG1-CB 4.24Å; I924-A1066 HydrophobicContact CG2-CB 4.11Å; M956-A1066 HydrophobicContact CE-CB 3.86Å; M956-A1066 HydrophobicContact SD-CB 3.7Å; L1021-A1066 HydrophobicContact CD1-CB 4.22Å; L1062-A1066 VanDerWaalsContact O-CB 3.3Å; L1062-A1066 WeakPolarHBondContact O-CB 3.31Å; L1062-A1066 PolarHBondContact O-N 3.35Å; V1063-A1066 PolarHBondContact O-N 3.28Å; A1066-L1069 PolarHBondContact O-N 3.02Å; A1066-M1070 WeakPolarHBondContact O-CG 3.41Å; A1066-M1070 PolarHBondContact O-N 3.25Å; A1066-M1070 VanDerWaalsContact O-N 3.12Å |
| 1067 | Q | 80.5 | Confident | 81.7 | Confident | 16 Ų | 16 | 24.8 Ų | 24.8 | 8% | 0.075 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.6 | -50 | 173.9 | -73.2 | 169.2 | -20.8 | 0 | 0 | 111.3 | N264 A927 V1063 G1064 L1069 M1070 Q1071 | N264-Q1067 VanDerWaalsContact CG-NE2 3.29Å; N264-Q1067 PolarHBondContact OD1-NE2 2.83Å; A927-Q1067 HydrophobicContact CB-CG 4.16Å; V1063-Q1067 WeakPolarHBondContact O-CG 3.42Å; V1063-Q1067 PolarHBondContact O-N 2.71Å; G1064-Q1067 PolarHBondContact O-N 2.92Å; Q1067-L1069 VanDerWaalsContact C-N 3.28Å; Q1067-L1069 PolarHBondContact O-N 3.28Å; Q1067-M1070 PolarHBondContact O-N 3.31Å; Q1067-Q1071 WeakPolarHBondContact O-CB 3.31Å; Q1067-Q1071 PolarHBondContact O-N 3.24Å |
| 1068 | N | 76.5 | Confident | 82 | Confident | 21 Ų | 21 | 22.3 Ų | 22.3 | 11% | 0.112 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.9 | -36.5 | 179.5 | -70.8 | -3.2 | 0 | 0 | 0 | 112 | T126 S128 I1017 G1064 N1065 S1072 | T126-N1068 PolarHBondContact O-ND2 3.32Å; T126-N1068 VanDerWaalsContact O-ND2 3.14Å; T126-N1068 PolarHBondContact OG1-ND2 3.23Å; S128-N1068 WeakPolarHBondContact CB-OD1 3.32Å; S128-N1068 VanDerWaalsContact OG-CG 3.27Å; S128-N1068 PolarHBondContact OG-ND2 3.22Å; S128-N1068 PolarHBondContact OG-OD1 3.37Å; I1017-N1068 HydrophobicContact CD1-CB 4.13Å; G1064-N1068 WeakPolarHBondContact O-CB 3.49Å; G1064-N1068 PolarHBondContact O-N 3.17Å; G1064-N1068 PolarHBondContact O-OD1 2.65Å; N1065-N1068 PolarHBondContact O-N 3.26Å; N1068-S1072 VanDerWaalsContact O-CB 3.31Å; N1068-S1072 WeakPolarHBondContact O-CB 3.48Å; N1068-S1072 PolarHBondContact O-N 3.39Å; N1068-S1072 PolarHBondContact O-OG 2.69Å |
| 1069 | L | 88.4 | Confident | 81.9 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -65 | -54.2 | 175.7 | -172.7 | 59 | 0 | 0 | 0 | 111.3 | M952 M956 I980 I1014 I1017 L1021 N1065 A1066 Q1067 Q1071 S1072 V1073 | M952-L1069 HydrophobicContact CE-CD1 4.26Å; M952-L1069 HydrophobicContact CE-CD2 4Å; M952-L1069 HydrophobicContact CE-CG 4.05Å; M956-L1069 HydrophobicContact CE-CD2 4.11Å; I980-L1069 HydrophobicContact CG2-CD2 3.5Å; I980-L1069 VanDerWaalsContact CG2-CD2 3.5Å; I1014-L1069 HydrophobicContact CG2-CD1 4.14Å; I1017-L1069 HydrophobicContact CB-CD1 4.14Å; I1017-L1069 HydrophobicContact CG2-CB 3.67Å; I1017-L1069 HydrophobicContact CG2-CD1 4.08Å; I1017-L1069 HydrophobicContact CG2-CG 4.39Å; L1021-L1069 HydrophobicContact CD2-CD2 4Å; N1065-L1069 WeakPolarHBondContact O-CB 3.45Å; N1065-L1069 PolarHBondContact O-N 2.8Å; A1066-L1069 PolarHBondContact O-N 3.02Å; Q1067-L1069 VanDerWaalsContact C-N 3.28Å; Q1067-L1069 PolarHBondContact O-N 3.28Å; L1069-Q1071 VanDerWaalsContact C-N 3.3Å; L1069-Q1071 PolarHBondContact O-N 2.99Å; L1069-S1072 PolarHBondContact O-N 3.22Å; L1069-V1073 VanDerWaalsContact O-CG2 3.29Å; L1069-V1073 WeakPolarHBondContact O-CG2 3.3Å; L1069-V1073 PolarHBondContact O-N 3.26Å |
| 1070 | M | 88.7 | Confident | 82.1 | Confident | 2 Ų | 2 | 20.5 Ų | 20.5 | 1% | 0.01 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.7 | -40.2 | -177.3 | -63.8 | -66.6 | 88.3 | 0 | 0 | 111.5 | A927 L931 M952 M956 A1066 Q1067 V1073 I1074 | A927-M1070 HydrophobicContact CB-CB 4.03Å; A927-M1070 HydrophobicContact CB-CG 3.87Å; L931-M1070 HydrophobicContact CB-SD 4.06Å; L931-M1070 HydrophobicContact CD2-CE 3.89Å; L931-M1070 HydrophobicContact CD2-SD 3.52Å; L931-M1070 VanDerWaalsContact CD2-SD 3.52Å; L931-M1070 HydrophobicContact CG-SD 4.44Å; M952-M1070 HydrophobicContact CB-CE 4.12Å; M952-M1070 HydrophobicContact CE-CE 3.9Å; M956-M1070 HydrophobicContact CB-CE 4.47Å; M956-M1070 HydrophobicContact CB-SD 3.75Å; M956-M1070 HydrophobicContact CE-CE 3.75Å; M956-M1070 HydrophobicContact CE-CG 4.08Å; M956-M1070 HydrophobicContact CE-SD 4.14Å; M956-M1070 HydrophobicContact CG-CG 3.92Å; M956-M1070 HydrophobicContact CG-SD 3.81Å; A1066-M1070 WeakPolarHBondContact O-CG 3.41Å; A1066-M1070 PolarHBondContact O-N 3.25Å; A1066-M1070 VanDerWaalsContact O-N 3.12Å; Q1067-M1070 PolarHBondContact O-N 3.31Å; M1070-V1073 PolarHBondContact O-N 3.15Å; M1070-I1074 WeakPolarHBondContact O-CG1 3.37Å; M1070-I1074 PolarHBondContact O-N 3.5Å |
| 1071 | Q | 77.4 | Confident | 82.5 | Confident | 76 Ų | 76 | 17.6 Ų | 17.6 | 36% | 0.355 | 10% | 0.095 | S | C | . | . | H | α-helix | trans | -65.2 | -43.3 | 175.9 | -179 | 53.5 | 36.4 | 0 | 0 | 112 | Q1067 L1069 V1073 I1074 E1075 | Q1067-Q1071 WeakPolarHBondContact O-CB 3.31Å; Q1067-Q1071 PolarHBondContact O-N 3.24Å; L1069-Q1071 VanDerWaalsContact C-N 3.3Å; L1069-Q1071 PolarHBondContact O-N 2.99Å; Q1071-V1073 VanDerWaalsContact C-N 3.26Å; Q1071-V1073 PolarHBondContact O-N 3.18Å; Q1071-I1074 PolarHBondContact O-N 3.16Å; Q1071-E1075 WeakPolarHBondContact CG-OE1 3.45Å; Q1071-E1075 PolarHBondContact NE2-OE1 3.08Å; Q1071-E1075 WeakPolarHBondContact O-CG 3.45Å; Q1071-E1075 PolarHBondContact O-N 3.09Å |
| 1072 | S | 81.1 | Confident | 82.5 | Confident | 1 Ų | 1 | 16.2 Ų | 16.2 | 1% | 0.007 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -60.4 | -34.7 | 174.1 | -55.4 | 0 | 0 | 0 | 0 | 113 | R1013 I1017 N1068 L1069 T1076 | R1013-S1072 VanDerWaalsContact CZ-OG 3.32Å; R1013-S1072 PolarHBondContact NE-OG 3.41Å; R1013-S1072 PolarHBondContact NH2-OG 3.37Å; I1017-S1072 WeakPolarHBondContact CD1-OG 3.49Å; N1068-S1072 VanDerWaalsContact O-CB 3.31Å; N1068-S1072 WeakPolarHBondContact O-CB 3.48Å; N1068-S1072 PolarHBondContact O-N 3.39Å; N1068-S1072 PolarHBondContact O-OG 2.69Å; L1069-S1072 PolarHBondContact O-N 3.22Å; S1072-T1076 WeakPolarHBondContact O-CB 3.45Å; S1072-T1076 PolarHBondContact O-N 3.4Å; S1072-T1076 PolarHBondContact O-OG1 3Å |
| 1073 | V | 89 | Confident | 82.4 | Confident | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -70.9 | -40.6 | 176.1 | 176.6 | 0 | 0 | 0 | 0 | 111.5 | L931 T949 M952 I1014 L1069 M1070 Q1071 T1076 L1077 | L931-V1073 HydrophobicContact CD1-CB 4.24Å; L931-V1073 HydrophobicContact CD1-CG1 3.63Å; L931-V1073 HydrophobicContact CD2-CB 4.32Å; L931-V1073 HydrophobicContact CD2-CG1 3.85Å; L931-V1073 HydrophobicContact CG-CG1 4.43Å; T949-V1073 HydrophobicContact CG2-CG1 3.29Å; M952-V1073 HydrophobicContact CE-CG2 3.72Å; M952-V1073 HydrophobicContact SD-CG1 4.28Å; M952-V1073 HydrophobicContact SD-CG2 3.82Å; I1014-V1073 HydrophobicContact CD1-CB 4.43Å; I1014-V1073 HydrophobicContact CD1-CG2 3.8Å; I1014-V1073 HydrophobicContact CG1-CG2 4.12Å; L1069-V1073 VanDerWaalsContact O-CG2 3.29Å; L1069-V1073 WeakPolarHBondContact O-CG2 3.3Å; L1069-V1073 PolarHBondContact O-N 3.26Å; M1070-V1073 PolarHBondContact O-N 3.15Å; Q1071-V1073 VanDerWaalsContact C-N 3.26Å; Q1071-V1073 PolarHBondContact O-N 3.18Å; V1073-T1076 PolarHBondContact O-N 3.21Å; V1073-L1077 WeakPolarHBondContact O-CG 3.48Å; V1073-L1077 PolarHBondContact O-N 3.34Å |
| 1074 | I | 81.6 | Confident | 82.5 | Confident | 16 Ų | 16 | 16.5 Ų | 16.5 | 8% | 0.082 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60 | -47.5 | 173.7 | -68.3 | 166.1 | 0 | 0 | 0 | 110.6 | A930 L931 E934 M1070 Q1071 T1076 L1077 H1078 | A930-I1074 HydrophobicContact CB-CD1 4.08Å; L931-I1074 HydrophobicContact CB-CG1 4.42Å; L931-I1074 HydrophobicContact CD1-CG1 3.79Å; E934-I1074 HydrophobicContact CG-CG2 4.44Å; M1070-I1074 WeakPolarHBondContact O-CG1 3.37Å; M1070-I1074 PolarHBondContact O-N 3.5Å; Q1071-I1074 PolarHBondContact O-N 3.16Å; I1074-T1076 VanDerWaalsContact C-N 3.31Å; I1074-T1076 PolarHBondContact O-N 3.42Å; I1074-L1077 WeakPolarHBondContact O-CB 3.22Å; I1074-L1077 PolarHBondContact O-N 2.86Å; I1074-L1077 VanDerWaalsContact O-N 3.14Å; I1074-H1078 PolarHBondContact O-N 2.97Å |
| 1075 | E | 75.3 | Confident | 82.9 | Confident | 21 Ų | 21 | 20.1 Ų | 20.1 | 10% | 0.098 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -59.5 | -42.3 | 176.9 | -67 | 169.8 | -156.3 | 0 | 0 | 111.5 | Y756 L1010 R1013 Q1071 L1077 H1078 V1079 | Y756-E1075 WeakPolarHBondContact OH-CB 3.37Å; Y756-E1075 WeakPolarHBondContact OH-CG 3.37Å; Y756-E1075 PolarHBondContact OH-OE2 2.82Å; L1010-E1075 HydrophobicContact CD1-CB 4.08Å; L1010-E1075 HydrophobicContact CD2-CB 4.15Å; L1010-E1075 WeakPolarHBondContact CD2-OE2 3.44Å; R1013-E1075 IonicContact CZ-OE2 3.27Å; R1013-E1075 VanDerWaalsContact CZ-OE2 3.3Å; R1013-E1075 IonicContact NH1-OE2 2.69Å; R1013-E1075 PolarHBondContact NH1-OE2 3.02Å; R1013-E1075 IonicContact NH2-OE1 2.84Å; R1013-E1075 IonicContact NH2-OE2 3.94Å; R1013-E1075 PolarHBondContact NH2-OE2 3.16Å; Q1071-E1075 WeakPolarHBondContact CG-OE1 3.45Å; Q1071-E1075 PolarHBondContact NE2-OE1 3.08Å; Q1071-E1075 WeakPolarHBondContact O-CG 3.45Å; Q1071-E1075 PolarHBondContact O-N 3.09Å; E1075-L1077 VanDerWaalsContact C-N 3.32Å; E1075-L1077 PolarHBondContact O-N 3.36Å; E1075-H1078 PolarHBondContact O-N 2.99Å; E1075-V1079 WeakPolarHBondContact O-CG2 3.47Å; E1075-V1079 PolarHBondContact O-N 3.31Å |
| 1076 | T | 85.5 | Confident | 82.8 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.2 | -37 | 176.4 | -61 | 0 | 0 | 0 | 0 | 112.2 | V987 A991 L1007 L1010 I1014 S1072 V1073 I1074 A1080 | V987-T1076 HydrophobicContact CG1-CG2 4.2Å; A991-T1076 HydrophobicContact CB-CG2 4.05Å; L1007-T1076 HydrophobicContact CD1-CG2 3.93Å; L1010-T1076 WeakPolarHBondContact CB-OG1 3.41Å; I1014-T1076 HydrophobicContact CD1-CG2 4.21Å; I1014-T1076 WeakPolarHBondContact CD1-OG1 3.5Å; S1072-T1076 WeakPolarHBondContact O-CB 3.45Å; S1072-T1076 PolarHBondContact O-N 3.4Å; S1072-T1076 PolarHBondContact O-OG1 3Å; V1073-T1076 PolarHBondContact O-N 3.21Å; I1074-T1076 VanDerWaalsContact C-N 3.31Å; I1074-T1076 PolarHBondContact O-N 3.42Å; T1076-A1080 WeakPolarHBondContact O-CB 3.31Å; T1076-A1080 PolarHBondContact O-N 3.39Å |
| 1077 | L | 86.9 | Confident | 82.7 | Confident | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.2 | -45.2 | 175.7 | -72.6 | 172.9 | 0 | 0 | 0 | 112.3 | L931 T935 L945 I946 T949 V1073 I1074 E1075 A1080 E1081 W1097 | L931-L1077 HydrophobicContact CD1-CD1 4Å; T935-L1077 HydrophobicContact CG2-CD1 3.59Å; L945-L1077 HydrophobicContact CD1-CD2 4.36Å; L945-L1077 HydrophobicContact CD2-CD2 3.97Å; L945-L1077 HydrophobicContact CG-CD2 3.77Å; I946-L1077 HydrophobicContact CD1-CD2 3.74Å; T949-L1077 HydrophobicContact CG2-CD1 4.22Å; T949-L1077 HydrophobicContact CG2-CD2 3.95Å; T949-L1077 HydrophobicContact CG2-CG 4.19Å; V1073-L1077 WeakPolarHBondContact O-CG 3.48Å; V1073-L1077 PolarHBondContact O-N 3.34Å; I1074-L1077 WeakPolarHBondContact O-CB 3.22Å; I1074-L1077 PolarHBondContact O-N 2.86Å; I1074-L1077 VanDerWaalsContact O-N 3.14Å; E1075-L1077 VanDerWaalsContact C-N 3.32Å; E1075-L1077 PolarHBondContact O-N 3.36Å; L1077-A1080 PolarHBondContact O-N 2.94Å; L1077-E1081 PolarHBondContact O-N 3.04Å; L1077-W1097 HydrophobicContact CD2-CH2 4.3Å |
| 1078 | H | 79.5 | Confident | 82.7 | Confident | 64 Ų | 64 | 28.1 Ų | 28.1 | 30% | 0.296 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -66 | -39.9 | 178.8 | -63.8 | 154.5 | 0 | 0 | 0 | 112.4 | E934 I1074 E1075 G1082 | E934-H1078 IonicContact OE1-CD2 2.68Å; E934-H1078 IonicContact OE1-CE1 3.34Å; E934-H1078 IonicContact OE1-NE2 3.4Å; E934-H1078 PolarHBondContact OE1-NE2 3.37Å; I1074-H1078 PolarHBondContact O-N 2.97Å; E1075-H1078 PolarHBondContact O-N 2.99Å; H1078-G1082 PolarHBondContact O-N 3.22Å |
| 1079 | V | 78.6 | Confident | 82.4 | Confident | 14 Ų | 14 | 32 Ų | 32 | 9% | 0.085 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -71.3 | -34.1 | 176.2 | -179.1 | 0 | 0 | 0 | 0 | 111.3 | I1003 N1006 L1007 L1010 E1075 G1082 A1083 | I1003-V1079 HydrophobicContact CG2-CG1 3.76Å; N1006-V1079 HydrophobicContact CB-CG1 4.41Å; L1007-V1079 HydrophobicContact CB-CG1 3.8Å; L1007-V1079 HydrophobicContact CD1-CB 4.34Å; L1007-V1079 HydrophobicContact CD1-CG1 4.17Å; L1007-V1079 HydrophobicContact CG-CG1 4.48Å; L1010-V1079 HydrophobicContact CD1-CB 4.22Å; L1010-V1079 HydrophobicContact CD1-CG2 3.7Å; E1075-V1079 WeakPolarHBondContact O-CG2 3.47Å; E1075-V1079 PolarHBondContact O-N 3.31Å; V1079-G1082 PolarHBondContact O-N 3.31Å; V1079-A1083 VanDerWaalsContact O-CB 3.31Å; V1079-A1083 WeakPolarHBondContact O-CB 3.39Å; V1079-A1083 PolarHBondContact O-N 3.08Å |
| 1080 | A | 87.2 | Confident | 81.4 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.2 | -37.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L945 L994 L1007 T1076 L1077 A1083 S1084 W1097 | L945-A1080 HydrophobicContact CD2-CB 3.45Å; L945-A1080 VanDerWaalsContact CD2-CB 3.45Å; L994-A1080 HydrophobicContact CD1-CB 3.82Å; L1007-A1080 HydrophobicContact CD1-CB 4.28Å; T1076-A1080 WeakPolarHBondContact O-CB 3.31Å; T1076-A1080 PolarHBondContact O-N 3.39Å; L1077-A1080 PolarHBondContact O-N 2.94Å; A1080-A1083 PolarHBondContact O-N 2.84Å; A1080-S1084 PolarHBondContact O-N 3.37Å; A1080-S1084 VanDerWaalsContact O-N 3.08Å; A1080-W1097 HydrophobicContact CB-CH2 4.31Å; A1080-W1097 HydrophobicContact CB-CZ2 3.98Å |
| 1081 | E | 83 | Confident | 80.4 | Confident | 45 Ų | 45 | 41.5 Ų | 41.5 | 21% | 0.21 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.5 | -53.1 | 171.3 | -178 | 178.3 | -174.7 | 0 | 0 | 109.9 | W938 L1077 A1083 S1084 W1097 | W938-E1081 VanDerWaalsContact CH2-OE1 3.24Å; W938-E1081 WeakPolarHBondContact CH2-OE1 3.48Å; W938-E1081 VanDerWaalsContact CZ2-CD 3.41Å; W938-E1081 HydrophobicContact CZ2-CG 4.33Å; W938-E1081 VanDerWaalsContact CZ2-OE1 3.23Å; W938-E1081 WeakPolarHBondContact CZ2-OE1 3.45Å; W938-E1081 WeakPolarHBondContact CZ2-OE2 3.32Å; L1077-E1081 PolarHBondContact O-N 3.04Å; E1081-A1083 PolarHBondContact O-N 2.57Å; E1081-S1084 WeakPolarHBondContact O-CB 3.39Å; E1081-S1084 PolarHBondContact O-N 3.42Å; E1081-S1084 PolarHBondContact O-OG 3.49Å; E1081-W1097 HydrophobicContact CB-CD2 4.32Å; E1081-W1097 HydrophobicContact CB-CE3 4.31Å; E1081-W1097 HydrophobicContact CB-CH2 4.13Å; E1081-W1097 HydrophobicContact CB-CZ2 4.15Å; E1081-W1097 HydrophobicContact CB-CZ3 4.21Å; E1081-W1097 HydrophobicContact CG-CD2 4.36Å; E1081-W1097 HydrophobicContact CG-CE3 4.39Å |
| 1082 | G | 79.4 | Confident | 79.9 | Confident | 12 Ų | 12 | 41.2 Ų | 41.2 | 12% | 0.124 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.8 | -39.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | H1078 V1079 S1084 I1085 | H1078-G1082 PolarHBondContact O-N 3.22Å; V1079-G1082 PolarHBondContact O-N 3.31Å; G1082-S1084 VanDerWaalsContact C-N 3.31Å; G1082-S1084 PolarHBondContact O-N 3.38Å; G1082-I1085 PolarHBondContact O-N 3.5Å |
| 1083 | A | 84.9 | Confident | 79.2 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.7 | -36.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | C998 I1003 L1007 V1079 A1080 E1081 I1085 K1086 M1087 | C998-A1083 HydrophobicContact CB-CB 4.47Å; I1003-A1083 HydrophobicContact CG2-CB 3.75Å; L1007-A1083 HydrophobicContact CD2-CB 3.91Å; V1079-A1083 VanDerWaalsContact O-CB 3.31Å; V1079-A1083 WeakPolarHBondContact O-CB 3.39Å; V1079-A1083 PolarHBondContact O-N 3.08Å; A1080-A1083 PolarHBondContact O-N 2.84Å; E1081-A1083 PolarHBondContact O-N 2.57Å; A1083-I1085 PolarHBondContact O-N 3.14Å; A1083-K1086 CarbonylContact O-C 3.35Å; A1083-K1086 PolarHBondContact O-N 2.92Å; A1083-M1087 PolarHBondContact O-N 3.25Å |
| 1084 | S | 85.1 | Confident | 78 | Confident | 30 Ų | 30 | 55.9 Ų | 55.9 | 21% | 0.21 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.1 | -28.3 | -178.3 | 77.5 | 0 | 0 | 0 | 0 | 113.7 | A1080 E1081 G1082 K1086 W1097 | A1080-S1084 PolarHBondContact O-N 3.37Å; A1080-S1084 VanDerWaalsContact O-N 3.08Å; E1081-S1084 WeakPolarHBondContact O-CB 3.39Å; E1081-S1084 PolarHBondContact O-N 3.42Å; E1081-S1084 PolarHBondContact O-OG 3.49Å; G1082-S1084 VanDerWaalsContact C-N 3.31Å; G1082-S1084 PolarHBondContact O-N 3.38Å; S1084-K1086 VanDerWaalsContact C-N 3.32Å; S1084-W1097 VanDerWaalsContact OG-CD1 3.23Å; S1084-W1097 PolarHBondContact OG-NE1 3.41Å |
| 1085 | I | 81.7 | Confident | 77.6 | Confident | 94 Ų | 94 | 56.5 Ų | 56.5 | 48% | 0.482 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -70.6 | -30.3 | 176.7 | -57.8 | 164.6 | 0 | 0 | 0 | 111.1 | P759 Y761 G1082 A1083 | P759-I1085 HydrophobicContact CG-CD1 4.05Å; Y761-I1085 WeakPolarHBondContact OH-CD1 3.12Å; G1082-I1085 PolarHBondContact O-N 3.5Å; A1083-I1085 PolarHBondContact O-N 3.14Å |
| 1086 | K | 82.8 | Confident | 77.7 | Confident | 80 Ų | 80 | 58.3 Ų | 58.3 | 35% | 0.348 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111 | 41.6 | -177.2 | -62.7 | -172.5 | -179.7 | 170 | 0 | 112.1 | C998 T999 D1000 I1003 A1083 S1084 | C998-K1086 CarbonylContact C-O 3.57Å; C998-K1086 WeakPolarHBondContact CA-O 2.95Å; T999-K1086 PolarHBondContact N-O 3.36Å; T999-K1086 PolarHBondContact OG1-O 2.93Å; T999-K1086 VanDerWaalsContact OG1-O 3.09Å; D1000-K1086 HydrophobicContact CB-CB 4.3Å; D1000-K1086 HydrophobicContact CB-CD 3.66Å; D1000-K1086 VanDerWaalsContact OD2-CD 3.27Å; D1000-K1086 WeakPolarHBondContact OD2-CD 3.42Å; D1000-K1086 IonicContact OD2-NZ 3.18Å; D1000-K1086 PolarHBondContact OD2-NZ 2.93Å; I1003-K1086 HydrophobicContact CD1-CD 3.94Å; A1083-K1086 CarbonylContact O-C 3.35Å; A1083-K1086 PolarHBondContact O-N 2.92Å; S1084-K1086 VanDerWaalsContact C-N 3.32Å |
| 1087 | M | 83 | Confident | 77.4 | Confident | 36 Ų | 36 | 60.1 Ų | 60.1 | 18% | 0.177 | 31% | 0.306 | C | S | . | . | B | Isolated β-bridge | trans | -82.1 | 149.9 | 173.5 | -71 | 178.8 | 71.4 | 0 | 0 | 112.4 | L994 E997 A1083 | L994-M1087 HydrophobicContact CD2-CE 4.42Å; L994-M1087 HydrophobicContact CD2-SD 3.93Å; E997-M1087 HydrophobicContact CB-CE 4.17Å; E997-M1087 CarbonylContact O-C 3.56Å; E997-M1087 WeakPolarHBondContact O-CA 3.35Å; A1083-M1087 PolarHBondContact O-N 3.25Å |
| 1088 | R | 81.4 | Confident | 76.9 | Confident | 78 Ų | 78 | 63.7 Ų | 63.7 | 29% | 0.294 | 33% | 0.325 | S | S | . | . | trans | -59.2 | 136.5 | 171.8 | -71.4 | -171.6 | -164.7 | 98.8 | 10.5 | 111.3 | E585 K996 E997 T999 H1090 S1091 | E585-R1088 IonicContact OE2-CZ 3.83Å; E585-R1088 IonicContact OE2-NH2 2.72Å; E585-R1088 PolarHBondContact OE2-NH2 3.38Å; K996-R1088 PolarHBondContact O-NH1 2.77Å; K996-R1088 PolarHBondContact O-NH2 3.48Å; E997-R1088 PolarHBondContact O-N 2.88Å; E997-R1088 IonicContact OE1-NH1 3.63Å; E997-R1088 IonicContact OE2-NH1 2.64Å; E997-R1088 PolarHBondContact OE2-NH1 3.37Å; E997-R1088 VanDerWaalsContact OE2-NH1 3.15Å; T999-R1088 HydrophobicContact CG2-CB 4.37Å; T999-R1088 HydrophobicContact CG2-CG 3.47Å; T999-R1088 VanDerWaalsContact CG2-CG 3.47Å; R1088-H1090 PolarHBondContact O-N 3.42Å; R1088-S1091 VanDerWaalsContact O-CB 3.26Å; R1088-S1091 WeakPolarHBondContact O-CB 3.13Å; R1088-S1091 PolarHBondContact O-N 3.15Å; R1088-S1091 PolarHBondContact O-OG 3.05Å | ||
| 1089 | V | 70 | Confident | 76.6 | Confident | 103 Ų | 103 | 65 Ų | 65 | 62% | 0.624 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -24.3 | -178.2 | -174.4 | 0 | 0 | 0 | 0 | 113.6 | ||
| 1090 | H | 68.1 | Low | 75.9 | Confident | 177 Ų | 177 | 68.6 Ų | 68.6 | 82% | 0.819 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.3 | 12.3 | -178.8 | -55.6 | -41 | 0 | 0 | 0 | 114.1 | R1088 G1092 | R1088-H1090 PolarHBondContact O-N 3.42Å; H1090-G1092 PolarHBondContact O-N 3.01Å |
| 1091 | S | 66.6 | Low | 74.1 | Confident | 23 Ų | 23 | 73.7 Ų | 73.7 | 16% | 0.161 | 38% | 0.378 | C | S | . | . | trans | -59 | -29.5 | -177.4 | 59.3 | 0 | 0 | 0 | 0 | 114.1 | R1088 Y1093 | R1088-S1091 VanDerWaalsContact O-CB 3.26Å; R1088-S1091 WeakPolarHBondContact O-CB 3.13Å; R1088-S1091 PolarHBondContact O-N 3.15Å; R1088-S1091 PolarHBondContact O-OG 3.05Å; S1091-Y1093 WeakPolarHBondContact O-CD2 3.41Å; S1091-Y1093 PolarHBondContact O-N 2.75Å | ||
| 1092 | G | 66.5 | Low | 72.2 | Confident | 71 Ų | 71 | 79.8 Ų | 79.8 | 73% | 0.732 | 40% | 0.404 | S | S | * | . | trans | 75.5 | -37.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | H1090 | H1090-G1092 PolarHBondContact O-N 3.01Š| ||
| 1093 | Y | 67.4 | Low | 69.9 | Low | 134 Ų | 134 | 83.6 Ų | 83.6 | 53% | 0.525 | 43% | 0.429 | S | S | . | . | trans | -63 | 141.7 | 172.1 | -61 | -79.4 | 0 | 0 | 0 | 111.8 | V993 E997 S1091 | V993-Y1093 HydrophobicContact CG1-CD1 4.21Å; V993-Y1093 HydrophobicContact CG1-CD2 4.22Å; V993-Y1093 HydrophobicContact CG1-CE1 4.28Å; V993-Y1093 HydrophobicContact CG1-CE2 4.3Å; V993-Y1093 HydrophobicContact CG1-CG 4.2Å; E997-Y1093 HydrophobicContact CG-CD2 4.32Å; S1091-Y1093 WeakPolarHBondContact O-CD2 3.41Å; S1091-Y1093 PolarHBondContact O-N 2.75Å | ||
| 1094 | K | 63.7 | Low | 67.2 | Low | 175 Ų | 175 | 91.2 Ų | 91.2 | 76% | 0.761 | 47% | 0.47 | S | S | * | . | trans | -136.8 | 107.3 | 174.2 | -67.1 | -174.3 | 179.2 | -177 | 0 | 109.9 | I1096 | K1094-I1096 HydrophobicContact CB-CG1 4.46Š| ||
| 1095 | F | 72.4 | Confident | 64.5 | Low | 28 Ų | 28 | 97.2 Ų | 97.2 | 12% | 0.123 | 50% | 0.498 | C | S | . | . | trans | -85.9 | 112.9 | 166.2 | -73.6 | -100.5 | 0 | 0 | 0 | 107.7 | L945 C990 L994 W1097 | L945-F1095 HydrophobicContact CB-CD1 4.4Å; L945-F1095 HydrophobicContact CB-CE1 4.13Å; C990-F1095 HydrophobicContact CB-CE1 4.32Å; C990-F1095 HydrophobicContact CB-CZ 4.46Å; L994-F1095 HydrophobicContact CD1-CD1 4.09Å; L994-F1095 HydrophobicContact CD1-CD2 4.2Å; L994-F1095 HydrophobicContact CD1-CE1 4.05Å; L994-F1095 HydrophobicContact CD1-CE2 4.18Å; L994-F1095 HydrophobicContact CD1-CG 4.16Å; L994-F1095 HydrophobicContact CD1-CZ 4.1Å; L994-F1095 HydrophobicContact CD2-CB 4.45Å; L994-F1095 HydrophobicContact CD2-CD2 3.45Å; L994-F1095 VanDerWaalsContact CD2-CD2 3.45Å; L994-F1095 HydrophobicContact CD2-CE2 3.79Å; L994-F1095 HydrophobicContact CD2-CG 3.95Å; L994-F1095 HydrophobicContact CG-CD1 4.5Å; L994-F1095 HydrophobicContact CG-CD2 3.76Å; L994-F1095 HydrophobicContact CG-CE1 4.36Å; L994-F1095 HydrophobicContact CG-CE2 3.6Å; L994-F1095 HydrophobicContact CG-CG 4.22Å; L994-F1095 HydrophobicContact CG-CZ 3.92Å; F1095-W1097 PolarHBondContact O-N 3.18Å | ||
| 1096 | I | 77.7 | Confident | 61.8 | Low | 59 Ų | 59 | 100 Ų | 100 | 30% | 0.303 | 52% | 0.515 | S | S | . | . | trans | -93 | 100 | -174.1 | -48.2 | -170.1 | 0 | 0 | 0 | 110.1 | D942 K1094 N1098 | D942-I1096 HydrophobicContact CB-CB 4.1Å; D942-I1096 HydrophobicContact CB-CD1 3.63Å; D942-I1096 HydrophobicContact CB-CG1 3.78Å; D942-I1096 PolarHBondContact O-N 3.19Å; K1094-I1096 HydrophobicContact CB-CG1 4.46Å; I1096-N1098 VanDerWaalsContact C-N 3.26Å; I1096-N1098 VanDerWaalsContact CG2-ND2 3.27Å; I1096-N1098 WeakPolarHBondContact CG2-ND2 3.15Å; I1096-N1098 PolarHBondContact O-N 2.94Å | ||
| 1097 | W | 79.6 | Confident | 59.3 | Low | 38 Ų | 38 | 106.7 Ų | 106.7 | 14% | 0.144 | 54% | 0.539 | C | S | . | . | trans | -77.1 | 72.6 | 176.1 | -65.1 | 96 | 0 | 0 | 0 | 111.3 | W938 L945 I946 L1077 A1080 E1081 S1084 F1095 P1099 | W938-W1097 AromaticContact CD2-CE3 3.74Å; W938-W1097 HydrophobicContact CD2-CE3 3.74Å; W938-W1097 HydrophobicContact CD2-CZ3 4.22Å; W938-W1097 AromaticContact CE2-CE3 3.6Å; W938-W1097 AromaticContact CE2-CZ3 3.87Å; W938-W1097 HydrophobicContact CE3-CB 4.29Å; W938-W1097 HydrophobicContact CE3-CE3 4.04Å; W938-W1097 HydrophobicContact CG-CE3 4.22Å; W938-W1097 HydrophobicContact CG-CZ3 4.34Å; W938-W1097 HydrophobicContact CH2-CB 4.16Å; W938-W1097 HydrophobicContact CH2-CE3 4.06Å; W938-W1097 AromaticContact CZ2-CE3 3.75Å; W938-W1097 HydrophobicContact CZ2-CE3 3.75Å; W938-W1097 HydrophobicContact CZ2-CZ3 4.24Å; W938-W1097 HydrophobicContact CZ3-CB 3.8Å; W938-W1097 HydrophobicContact CZ3-CE3 4.21Å; W938-W1097 WeakPolarHBondContact CZ3-O 3.31Å; W938-W1097 AromaticContact NE1-CZ3 3.82Å; L945-W1097 HydrophobicContact CD2-CH2 4.31Å; L945-W1097 HydrophobicContact CD2-CZ2 4.33Å; I946-W1097 HydrophobicContact CD1-CH2 4.41Å; I946-W1097 HydrophobicContact CD1-CZ3 3.93Å; I946-W1097 HydrophobicContact CG1-CZ3 4.25Å; L1077-W1097 HydrophobicContact CD2-CH2 4.3Å; A1080-W1097 HydrophobicContact CB-CH2 4.31Å; A1080-W1097 HydrophobicContact CB-CZ2 3.98Å; E1081-W1097 HydrophobicContact CB-CD2 4.32Å; E1081-W1097 HydrophobicContact CB-CE3 4.31Å; E1081-W1097 HydrophobicContact CB-CH2 4.13Å; E1081-W1097 HydrophobicContact CB-CZ2 4.15Å; E1081-W1097 HydrophobicContact CB-CZ3 4.21Å; E1081-W1097 HydrophobicContact CG-CD2 4.36Å; E1081-W1097 HydrophobicContact CG-CE3 4.39Å; S1084-W1097 VanDerWaalsContact OG-CD1 3.23Å; S1084-W1097 PolarHBondContact OG-NE1 3.41Å; F1095-W1097 PolarHBondContact O-N 3.18Å; W1097-P1099 WeakPolarHBondContact O-CD 3.41Å | ||
| 1098 | N | 76.4 | Confident | 56.6 | Low | 77 Ų | 77 | 111.4 Ų | 111.4 | 41% | 0.412 | 57% | 0.565 | S | S | . | * | trans | -89.7 | 116 | 176.6 | -84.7 | -33.3 | 0 | 0 | 0 | 111.1 | S939 I1096 | S939-N1098 PolarHBondContact N-O 3.12Å; I1096-N1098 VanDerWaalsContact C-N 3.26Å; I1096-N1098 VanDerWaalsContact CG2-ND2 3.27Å; I1096-N1098 WeakPolarHBondContact CG2-ND2 3.15Å; I1096-N1098 PolarHBondContact O-N 2.94Å | ||
| 1099 | P | 73.5 | Confident | 53.9 | Low | 90 Ų | 90 | 114.8 Ų | 114.8 | 58% | 0.584 | 59% | 0.589 | S | S | * | * | B | Isolated β-bridge | trans | -67.5 | 138.6 | 172 | -18.7 | 32.2 | 0 | 0 | 0 | 111.9 | L937 W938 W1097 N1101 | L937-P1099 CarbonylContact O-C 3.47Å; L937-P1099 WeakPolarHBondContact O-CA 3.34Å; W938-P1099 HydrophobicContact CE3-CG 4.42Å; W938-P1099 HydrophobicContact CZ3-CG 3.9Å; W1097-P1099 WeakPolarHBondContact O-CD 3.41Å; P1099-N1101 PolarHBondContact O-N 3.29Å |
| 1100 | R | 64.2 | Low | 52 | Low | 91 Ų | 91 | 115.3 Ų | 115.3 | 34% | 0.343 | 59% | 0.588 | S | S | . | * | P | Polyproline II helix | trans | -71.2 | 121.7 | 169.9 | -74.7 | -165.9 | 178 | 173.7 | 5 | 109.9 | D910 R936 L937 K1102 | D910-R1100 IonicContact OD1-CZ 2.7Å; D910-R1100 IonicContact OD1-NH2 3.56Å; D910-R1100 PolarHBondContact OD1-NH2 2.82Å; D910-R1100 IonicContact OD2-CZ 3.33Å; D910-R1100 IonicContact OD2-NE 3.13Å; D910-R1100 IonicContact OD2-NH2 3.21Å; D910-R1100 PolarHBondContact OD2-NH2 3.11Å; R936-R1100 WeakPolarHBondContact O-CD 3.48Å; L937-R1100 PolarHBondContact O-N 2.94Å; R1100-K1102 PolarHBondContact O-N 3.45Å |
| 1101 | N | 48.6 | Very low | 50.3 | Low | 106 Ų | 106 | 112.2 Ų | 112.2 | 57% | 0.567 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 125.1 | 168.9 | -73 | -81.5 | 0 | 0 | 0 | 109.2 | P1099 S1103 K1114 | P1099-N1101 PolarHBondContact O-N 3.29Å; N1101-S1103 PolarHBondContact O-N 3.22Å; N1101-K1114 WeakPolarHBondContact OD1-CE 3.45Å; N1101-K1114 PolarHBondContact OD1-NZ 3.01Å |
| 1102 | K | 43.7 | Very low | 48.6 | Very low | 174 Ų | 174 | 114.6 Ų | 114.6 | 76% | 0.757 | 59% | 0.593 | S | S | * | * | trans | -72 | 76.6 | 163 | -73.3 | -172.6 | 173.2 | -174 | 0 | 109.8 | R1100 | R1100-K1102 PolarHBondContact O-N 3.45Š| ||
| 1103 | S | 30.6 | Very low | 46.9 | Very low | 92 Ų | 92 | 114.9 Ų | 114.9 | 64% | 0.643 | 58% | 0.578 | S | S | * | * | trans | -103.3 | 2.7 | -173.5 | 53.5 | 0 | 0 | 0 | 0 | 115.7 | N1101 | N1101-S1103 PolarHBondContact O-N 3.22Š| ||
| 1104 | N | 28.7 | Very low | 45.3 | Very low | 159 Ų | 159 | 115.3 Ų | 115.3 | 85% | 0.85 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -101.9 | 0.4 | -179.7 | -73.9 | -1.5 | 0 | 0 | 0 | 114.6 | ||
| 1105 | L | 29.1 | Very low | 43.8 | Very low | 156 Ų | 156 | 111.1 Ų | 111.1 | 82% | 0.817 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -100 | 116.5 | 168.3 | -84.6 | 162.3 | 0 | 0 | 0 | 109.7 | Y1107 | L1105-Y1107 PolarHBondContact O-N 3.28Š|
| 1106 | N | 24.9 | Very low | 41.9 | Very low | 154 Ų | 154 | 111.6 Ų | 111.6 | 82% | 0.824 | 57% | 0.569 | S | S | * | * | trans | -90.2 | 80.5 | -159.2 | -169.8 | 16.9 | 0 | 0 | 0 | 112.7 | ||||
| 1107 | Y | 28.4 | Very low | 39.7 | Very low | 220 Ų | 220 | 114.9 Ų | 114.9 | 86% | 0.863 | 58% | 0.578 | S | S | * | * | trans | -144.6 | 153.4 | 165.9 | -96.8 | -70.4 | 0 | 0 | 0 | 114.2 | L1105 | L1105-Y1107 PolarHBondContact O-N 3.28Š| ||
| 1108 | N | 26.2 | Very low | 37.4 | Very low | 135 Ų | 135 | 115.6 Ų | 115.6 | 72% | 0.722 | 59% | 0.589 | S | S | * | * | trans | -70.5 | 145.9 | -159.8 | -67.3 | -60.8 | 0 | 0 | 0 | 116.5 | ||||
| 1109 | N | 25.5 | Very low | 35.2 | Very low | 149 Ų | 149 | 113.9 Ų | 113.9 | 80% | 0.797 | 58% | 0.58 | S | S | * | * | trans | 37.6 | 84 | 141.2 | -63.3 | -17.9 | 0 | 0 | 0 | 118.2 | ||||
| 1110 | N | 29.7 | Very low | 33.2 | Very low | 114 Ų | 114 | 111.7 Ų | 111.7 | 61% | 0.61 | 56% | 0.564 | S | S | * | * | trans | -151.3 | 108.5 | 147.9 | -115.5 | -46.8 | 0 | 0 | 0 | 112.3 | N1112 | N1110-N1112 PolarHBondContact O-N 2.99Š| ||
| 1111 | T | 33.2 | Very low | 31.5 | Very low | 111 Ų | 111 | 110.3 Ų | 110.3 | 68% | 0.681 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -23.3 | 177.5 | 38.4 | 0 | 0 | 0 | 0 | 113.3 | N1113 K1114 | T1111-N1113 VanDerWaalsContact C-N 3.27Å; T1111-N1113 PolarHBondContact O-N 3.28Å; T1111-K1114 WeakPolarHBondContact O-CB 3.35Å; T1111-K1114 PolarHBondContact O-N 2.85Å; T1111-K1114 VanDerWaalsContact O-N 3.11Å |
| 1112 | N | 31 | Very low | 30.7 | Very low | 74 Ų | 74 | 110.6 Ų | 110.6 | 40% | 0.396 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.5 | -24.7 | -169.7 | -56.7 | -3 | 0 | 0 | 0 | 112.7 | N1110 K1114 Q1115 I1116 | N1110-N1112 PolarHBondContact O-N 2.99Å; N1112-K1114 PolarHBondContact O-N 2.78Å; N1112-Q1115 PolarHBondContact O-N 3.34Å; N1112-Q1115 VanDerWaalsContact O-N 3.1Å; N1112-I1116 PolarHBondContact O-N 2.92Å |
| 1113 | N | 30.9 | Very low | 30 | Very low | 77 Ų | 77 | 107.2 Ų | 107.2 | 41% | 0.412 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68.4 | -19.7 | 176 | -73.7 | 6.9 | 0 | 0 | 0 | 112.9 | T1111 Q1115 | T1111-N1113 VanDerWaalsContact C-N 3.27Å; T1111-N1113 PolarHBondContact O-N 3.28Å; N1113-Q1115 VanDerWaalsContact C-N 3.34Å |
| 1114 | K | 33.8 | Very low | 30 | Very low | 142 Ų | 142 | 108.1 Ų | 108.1 | 62% | 0.617 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -73.2 | -27.6 | 172 | -65.3 | -166.7 | 168.8 | -163.6 | 0 | 112.8 | N1101 T1111 N1112 | N1101-K1114 WeakPolarHBondContact OD1-CE 3.45Å; N1101-K1114 PolarHBondContact OD1-NZ 3.01Å; T1111-K1114 WeakPolarHBondContact O-CB 3.35Å; T1111-K1114 PolarHBondContact O-N 2.85Å; T1111-K1114 VanDerWaalsContact O-N 3.11Å; N1112-K1114 PolarHBondContact O-N 2.78Å |
| 1115 | Q | 31.8 | Very low | 30 | Very low | 88 Ų | 88 | 105.1 Ų | 105.1 | 41% | 0.411 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -83.4 | -36.3 | 179.2 | -70 | -179.1 | -43.4 | 0 | 0 | 112.2 | N1112 N1113 Y1117 S1118 I1119 | N1112-Q1115 PolarHBondContact O-N 3.34Å; N1112-Q1115 VanDerWaalsContact O-N 3.1Å; N1113-Q1115 VanDerWaalsContact C-N 3.34Å; Q1115-Y1117 VanDerWaalsContact C-N 3.3Å; Q1115-Y1117 PolarHBondContact O-N 3.31Å; Q1115-S1118 CarbonylContact O-C 3.56Å; Q1115-S1118 VanDerWaalsContact O-C 3.23Å; Q1115-S1118 WeakPolarHBondContact O-CA 3.35Å; Q1115-S1118 PolarHBondContact O-N 3.14Å; Q1115-S1118 PolarHBondContact O-OG 3.36Å; Q1115-I1119 HydrophobicContact CB-CD1 3.82Å; Q1115-I1119 WeakPolarHBondContact O-CB 3.3Å; Q1115-I1119 VanDerWaalsContact O-CG1 3.23Å; Q1115-I1119 WeakPolarHBondContact O-CG1 3.25Å; Q1115-I1119 PolarHBondContact O-N 3.16Å |
| 1116 | I | 32.4 | Very low | 30.1 | Very low | 38 Ų | 38 | 101.9 Ų | 101.9 | 20% | 0.195 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -62.1 | -36.8 | -176.3 | -64.4 | 170.4 | 0 | 0 | 0 | 112 | R376 N1112 S1118 | R376-I1116 HydrophobicContact CG-CD1 4.41Å; N1112-I1116 PolarHBondContact O-N 2.92Å; I1116-S1118 VanDerWaalsContact C-N 3.26Å; I1116-S1118 PolarHBondContact O-N 2.99Å |
| 1117 | Y | 30.8 | Very low | 30.5 | Very low | 127 Ų | 127 | 98.4 Ų | 98.4 | 50% | 0.498 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -8.3 | 172.9 | -93.3 | -81.5 | 0 | 0 | 0 | 114.7 | Q1115 | Q1115-Y1117 VanDerWaalsContact C-N 3.3Å; Q1115-Y1117 PolarHBondContact O-N 3.31Å |
| 1118 | S | 32.2 | Very low | 30.6 | Very low | 53 Ų | 53 | 89.7 Ų | 89.7 | 37% | 0.371 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.1 | 20.3 | 176.8 | 80.8 | 0 | 0 | 0 | 0 | 113.2 | Q1115 I1116 | Q1115-S1118 CarbonylContact O-C 3.56Å; Q1115-S1118 VanDerWaalsContact O-C 3.23Å; Q1115-S1118 WeakPolarHBondContact O-CA 3.35Å; Q1115-S1118 PolarHBondContact O-N 3.14Å; Q1115-S1118 PolarHBondContact O-OG 3.36Å; I1116-S1118 VanDerWaalsContact C-N 3.26Å; I1116-S1118 PolarHBondContact O-N 2.99Å |
| 1119 | I | 30.5 | Very low | 30.9 | Very low | 42 Ų | 42 | 86.2 Ų | 86.2 | 22% | 0.215 | 44% | 0.439 | C | S | . | . | S | Bend | trans | -113.5 | -2.8 | 170.4 | -79.2 | 170.8 | 0 | 0 | 0 | 109.5 | M760 Q1115 | M760-I1119 WeakPolarHBondContact CE-O 3.4Å; Q1115-I1119 HydrophobicContact CB-CD1 3.82Å; Q1115-I1119 WeakPolarHBondContact O-CB 3.3Å; Q1115-I1119 VanDerWaalsContact O-CG1 3.23Å; Q1115-I1119 WeakPolarHBondContact O-CG1 3.25Å; Q1115-I1119 PolarHBondContact O-N 3.16Å |
| 1120 | V | 31.5 | Very low | 31.4 | Very low | 43 Ų | 43 | 81 Ų | 81 | 26% | 0.261 | 41% | 0.409 | S | S | . | . | trans | -126.7 | -29.4 | -171.1 | 163.2 | 0 | 0 | 0 | 0 | 111.6 | Q281 | Q281-V1120 HydrophobicContact CG-CG1 4.4Å; Q281-V1120 VanDerWaalsContact NE2-CG1 3.32Å | ||
| 1121 | R | 28.9 | Very low | 31.6 | Very low | 63 Ų | 63 | 78 Ų | 78 | 24% | 0.238 | 39% | 0.39 | C | S | . | . | trans | -85.2 | 0 | 149.2 | -72.8 | -178 | 175.2 | 168.9 | -8.8 | 108.1 | E934 L937 | E934-R1121 IonicContact OE1-CZ 3.23Å; E934-R1121 IonicContact OE1-NE 2.76Å; E934-R1121 IonicContact OE1-NH2 2.7Å; E934-R1121 PolarHBondContact OE1-NH2 2.85Å; L937-R1121 VanDerWaalsContact CD1-NH2 3.35Å |
Retrieved 1,121 of 1,121 residues in 1462.6 ms
(Link to these results)