| 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 | 80.6 | Confident | 87.3 | Confident | 122 Ų | 122 | 74.8 Ų | 74.8 | 60% | 0.601 | 37% | 0.374 | S | S | * | . | 0 | -49 | 0 | -95.1 | -164 | -78.8 | 0 | 0 | 112 | E3 K4 L5 L42 | M1-E3 PolarHBondContact O-N 3.24Å; M1-K4 WeakPolarHBondContact O-CB 3.46Å; M1-K4 PolarHBondContact O-N 3.25Å; M1-K4 VanDerWaalsContact O-N 3.08Å; M1-L5 PolarHBondContact O-N 2.84Å; M1-L5 VanDerWaalsContact O-N 3.09Å; M1-L42 HydrophobicContact CG-CD2 4.06Å; M1-L42 HydrophobicContact SD-CD2 4.37Å | |||
| 2 | E | 82.7 | Confident | 87.4 | Confident | 66 Ų | 66 | 68.6 Ų | 68.6 | 31% | 0.308 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.3 | -39.3 | -170.5 | -63.3 | 177.7 | -157 | 0 | 0 | 112.5 | K4 L5 K6 K48 M52 | E2-K4 PolarHBondContact O-N 3.29Å; E2-L5 WeakPolarHBondContact O-CB 3.26Å; E2-L5 PolarHBondContact O-N 3.45Å; E2-K6 PolarHBondContact O-N 3.43Å; E2-K48 WeakPolarHBondContact OE1-CD 3.45Å; E2-K48 WeakPolarHBondContact OE1-CE 3.42Å; E2-K48 WeakPolarHBondContact OE1-CG 3.18Å; E2-K48 IonicContact OE1-NZ 3.06Å; E2-K48 PolarHBondContact OE1-NZ 3.06Å; E2-K48 IonicContact OE2-NZ 3.84Å; E2-K48 PolarHBondContact OE2-NZ 2.97Å; E2-M52 HydrophobicContact CB-CE 3.88Å; E2-M52 HydrophobicContact CB-SD 3.52Å; E2-M52 VanDerWaalsContact CB-SD 3.52Å; E2-M52 HydrophobicContact CG-SD 3.5Å; E2-M52 VanDerWaalsContact CG-SD 3.5Å |
| 3 | E | 86.5 | Confident | 87.2 | Confident | 158 Ų | 158 | 65.8 Ų | 65.8 | 74% | 0.738 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -63.7 | -37.7 | 171.4 | -60.4 | 159 | 132.8 | 0 | 0 | 112.7 | M1 L5 K6 G7 | M1-E3 PolarHBondContact O-N 3.24Å; E3-L5 VanDerWaalsContact C-N 3.28Å; E3-L5 PolarHBondContact O-N 2.94Å; E3-K6 PolarHBondContact O-N 2.78Å; E3-G7 PolarHBondContact O-N 3.43Å |
| 4 | K | 89.8 | Confident | 86.9 | Confident | 132 Ų | 132 | 65.2 Ų | 65.2 | 57% | 0.574 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -63.7 | -36.9 | 174.5 | -62 | -166.4 | 177.2 | -171.7 | 0 | 110.7 | M1 E2 Y8 L42 | M1-K4 WeakPolarHBondContact O-CB 3.46Å; M1-K4 PolarHBondContact O-N 3.25Å; M1-K4 VanDerWaalsContact O-N 3.08Å; E2-K4 PolarHBondContact O-N 3.29Å; K4-Y8 HydrophobicContact CB-CE2 4.06Å; K4-Y8 WeakPolarHBondContact O-CB 3.31Å; K4-Y8 WeakPolarHBondContact O-CD2 3.23Å; K4-Y8 PolarHBondContact O-N 3.27Å; K4-L42 HydrophobicContact CB-CD1 4.05Å |
| 5 | L | 88.1 | Confident | 86.3 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.1 | -48.4 | 171.1 | -179.6 | 66.6 | 0 | 0 | 0 | 111.1 | M1 E2 E3 G7 Y8 M9 I39 L42 C49 M52 I53 | M1-L5 PolarHBondContact O-N 2.84Å; M1-L5 VanDerWaalsContact O-N 3.09Å; E2-L5 WeakPolarHBondContact O-CB 3.26Å; E2-L5 PolarHBondContact O-N 3.45Å; E3-L5 VanDerWaalsContact C-N 3.28Å; E3-L5 PolarHBondContact O-N 2.94Å; L5-G7 PolarHBondContact O-N 3.38Å; L5-Y8 PolarHBondContact O-N 3.33Å; L5-M9 HydrophobicContact CD1-CG 4.08Å; L5-M9 HydrophobicContact CG-CG 4.31Å; L5-M9 WeakPolarHBondContact O-CB 3.16Å; L5-M9 VanDerWaalsContact O-CG 3.29Å; L5-M9 WeakPolarHBondContact O-CG 3.47Å; L5-M9 PolarHBondContact O-N 3.24Å; L5-I39 HydrophobicContact CD1-CG1 4.35Å; L5-I39 HydrophobicContact CD1-CG2 4.03Å; L5-L42 HydrophobicContact CB-CD1 4.08Å; L5-C49 HydrophobicContact CD2-CB 3.93Å; L5-M52 HydrophobicContact CD2-CB 3.93Å; L5-M52 HydrophobicContact CD2-SD 4.13Å; L5-I53 HydrophobicContact CD2-CG1 4.4Å |
| 6 | K | 88.7 | Confident | 85.6 | Confident | 89 Ų | 89 | 60.7 Ų | 60.7 | 39% | 0.387 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -56.7 | -48.3 | 177.3 | -69.7 | -171.4 | 172.8 | -176.1 | 0 | 111.7 | E2 E3 M9 I10 M52 | E2-K6 PolarHBondContact O-N 3.43Å; E3-K6 PolarHBondContact O-N 2.78Å; K6-M9 PolarHBondContact O-N 2.74Å; K6-I10 WeakPolarHBondContact O-CB 3.47Å; K6-I10 WeakPolarHBondContact O-CD1 3.35Å; K6-I10 VanDerWaalsContact O-CG1 3.24Å; K6-I10 WeakPolarHBondContact O-CG1 3.27Å; K6-I10 PolarHBondContact O-N 3.29Å; K6-M52 HydrophobicContact CD-CE 4.34Å; K6-M52 HydrophobicContact CG-CE 3.87Å |
| 7 | G | 88.9 | Confident | 84.6 | Confident | 36 Ų | 36 | 60.2 Ų | 60.2 | 37% | 0.371 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.8 | -46.3 | 179 | 0 | 0 | 0 | 0 | 0 | 113.2 | E3 L5 M9 I10 S11 | E3-G7 PolarHBondContact O-N 3.43Å; L5-G7 PolarHBondContact O-N 3.38Å; G7-M9 VanDerWaalsContact C-N 3.33Å; G7-M9 PolarHBondContact O-N 3.47Å; G7-I10 PolarHBondContact O-N 3.17Å; G7-S11 WeakPolarHBondContact O-CB 3.1Å; G7-S11 PolarHBondContact O-N 2.96Å |
| 8 | Y | 91.6 | Very high | 83.3 | Confident | 64 Ų | 64 | 65.7 Ų | 65.7 | 25% | 0.251 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -68.5 | -30.6 | 175.9 | -57.5 | -34.2 | 0 | 0 | 0 | 112.9 | K4 L5 F12 K38 L42 | K4-Y8 HydrophobicContact CB-CE2 4.06Å; K4-Y8 WeakPolarHBondContact O-CB 3.31Å; K4-Y8 WeakPolarHBondContact O-CD2 3.23Å; K4-Y8 PolarHBondContact O-N 3.27Å; L5-Y8 PolarHBondContact O-N 3.33Å; Y8-F12 WeakPolarHBondContact O-CB 3.01Å; Y8-F12 PolarHBondContact O-N 3.17Å; Y8-K38 HydrophobicContact CD1-CD 4.11Å; Y8-K38 HydrophobicContact CD2-CB 3.67Å; Y8-K38 HydrophobicContact CD2-CD 4.41Å; Y8-K38 HydrophobicContact CE1-CD 3.67Å; Y8-K38 HydrophobicContact CE2-CB 3.56Å; Y8-K38 HydrophobicContact CE2-CD 4Å; Y8-K38 HydrophobicContact CE2-CG 4.22Å; Y8-K38 HydrophobicContact CG-CB 4.31Å; Y8-K38 HydrophobicContact CG-CD 4.48Å; Y8-L42 HydrophobicContact CD2-CD1 3.8Å; Y8-L42 HydrophobicContact CE2-CD1 3.9Å |
| 9 | M | 90 | Very high | 82.2 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -72.2 | -40.1 | 173 | -72.1 | -55.8 | -41.3 | 0 | 0 | 112.3 | L5 K6 G7 F12 A13 I39 Y59 D62 F63 | L5-M9 HydrophobicContact CD1-CG 4.08Å; L5-M9 HydrophobicContact CG-CG 4.31Å; L5-M9 WeakPolarHBondContact O-CB 3.16Å; L5-M9 VanDerWaalsContact O-CG 3.29Å; L5-M9 WeakPolarHBondContact O-CG 3.47Å; L5-M9 PolarHBondContact O-N 3.24Å; K6-M9 PolarHBondContact O-N 2.74Å; G7-M9 VanDerWaalsContact C-N 3.33Å; G7-M9 PolarHBondContact O-N 3.47Å; M9-F12 HydrophobicContact CE-CD1 3.77Å; M9-F12 HydrophobicContact CE-CE1 4.4Å; M9-F12 WeakPolarHBondContact O-CB 3.45Å; M9-F12 PolarHBondContact O-N 3.33Å; M9-F12 VanDerWaalsContact O-N 3.15Å; M9-A13 WeakPolarHBondContact O-CB 3.48Å; M9-A13 PolarHBondContact O-N 3.28Å; M9-I39 HydrophobicContact SD-CD1 3.64Å; M9-I39 HydrophobicContact SD-CG1 4.25Å; M9-I39 HydrophobicContact SD-CG2 4.38Å; M9-Y59 HydrophobicContact CB-CD1 3.67Å; M9-Y59 HydrophobicContact CB-CD2 4.28Å; M9-Y59 HydrophobicContact CB-CE1 3.47Å; M9-Y59 VanDerWaalsContact CB-CE1 3.47Å; M9-Y59 HydrophobicContact CB-CE2 4.09Å; M9-Y59 HydrophobicContact CB-CG 4.1Å; M9-Y59 HydrophobicContact CE-CD1 3.88Å; M9-Y59 HydrophobicContact CE-CG 3.87Å; M9-Y59 HydrophobicContact CG-CD1 3.97Å; M9-Y59 HydrophobicContact CG-CD2 3.8Å; M9-Y59 HydrophobicContact CG-CE1 4.09Å; M9-Y59 HydrophobicContact CG-CE2 3.91Å; M9-Y59 HydrophobicContact CG-CG 3.85Å; M9-Y59 HydrophobicContact SD-CG 4.35Å; M9-D62 HydrophobicContact CE-CB 4.23Å; M9-F63 HydrophobicContact CE-CE1 4.34Å; M9-F63 HydrophobicContact CE-CE2 4.2Å; M9-F63 HydrophobicContact CE-CZ 3.88Å; M9-F63 HydrophobicContact SD-CE1 4.33Å; M9-F63 HydrophobicContact SD-CE2 4.21Å; M9-F63 HydrophobicContact SD-CZ 3.6Å |
| 10 | I | 87.5 | Confident | 81.3 | Confident | 112 Ų | 112 | 66.8 Ų | 66.8 | 57% | 0.574 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -62.3 | -46.8 | 174.3 | -70.2 | 161.8 | 0 | 0 | 0 | 110.1 | K6 G7 F12 A13 S14 | K6-I10 WeakPolarHBondContact O-CB 3.47Å; K6-I10 WeakPolarHBondContact O-CD1 3.35Å; K6-I10 VanDerWaalsContact O-CG1 3.24Å; K6-I10 WeakPolarHBondContact O-CG1 3.27Å; K6-I10 PolarHBondContact O-N 3.29Å; G7-I10 PolarHBondContact O-N 3.17Å; I10-F12 PolarHBondContact O-N 3.48Å; I10-A13 PolarHBondContact O-N 3.07Å; I10-S14 PolarHBondContact O-N 2.8Å; I10-S14 PolarHBondContact O-OG 3.34Å |
| 11 | S | 86.2 | Confident | 80.3 | Confident | 44 Ų | 44 | 64.5 Ų | 64.5 | 31% | 0.308 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -69.4 | -9.9 | 175.5 | -176.8 | 0 | 0 | 0 | 0 | 114.1 | G7 S14 Y15 N35 | G7-S11 WeakPolarHBondContact O-CB 3.1Å; G7-S11 PolarHBondContact O-N 2.96Å; S11-S14 PolarHBondContact O-OG 3.23Å; S11-Y15 WeakPolarHBondContact O-CD2 3.41Å; S11-Y15 VanDerWaalsContact O-CE2 3.28Å; S11-Y15 WeakPolarHBondContact O-CE2 3.27Å; S11-N35 PolarHBondContact OG-ND2 2.88Å |
| 12 | F | 87.7 | Confident | 79.3 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -92.7 | -44.4 | 171.1 | 176.8 | -105 | 0 | 0 | 0 | 110.2 | Y8 M9 I10 S14 Y15 C16 L32 V36 D62 F63 A66 I79 | Y8-F12 WeakPolarHBondContact O-CB 3.01Å; Y8-F12 PolarHBondContact O-N 3.17Å; M9-F12 HydrophobicContact CE-CD1 3.77Å; M9-F12 HydrophobicContact CE-CE1 4.4Å; M9-F12 WeakPolarHBondContact O-CB 3.45Å; M9-F12 PolarHBondContact O-N 3.33Å; M9-F12 VanDerWaalsContact O-N 3.15Å; I10-F12 PolarHBondContact O-N 3.48Å; F12-S14 VanDerWaalsContact C-N 3.3Å; F12-S14 PolarHBondContact O-N 3.04Å; F12-Y15 PolarHBondContact O-N 3.42Å; F12-C16 PolarHBondContact O-N 3.12Å; F12-C16 PolarHBondContact O-SG 3.26Å; F12-L32 HydrophobicContact CD2-CD2 3.49Å; F12-L32 VanDerWaalsContact CD2-CD2 3.49Å; F12-L32 HydrophobicContact CE2-CD2 3.96Å; F12-L32 HydrophobicContact CG-CD2 4.43Å; F12-V36 HydrophobicContact CD2-CG2 3.59Å; F12-V36 HydrophobicContact CE2-CG2 3.34Å; F12-V36 HydrophobicContact CZ-CG2 4.21Å; F12-D62 HydrophobicContact CD1-CB 3.81Å; F12-D62 HydrophobicContact CE1-CB 3.72Å; F12-F63 HydrophobicContact CD1-CE1 4.48Å; F12-F63 AromaticContact CE1-CD1 3.69Å; F12-F63 HydrophobicContact CE1-CD1 3.69Å; F12-F63 AromaticContact CE1-CE1 3.9Å; F12-F63 HydrophobicContact CE1-CE1 3.9Å; F12-F63 AromaticContact CZ-CD1 3.88Å; F12-F63 HydrophobicContact CZ-CD1 3.88Å; F12-F63 HydrophobicContact CZ-CE1 4.18Å; F12-A66 HydrophobicContact CE1-CB 4.35Å; F12-A66 HydrophobicContact CE2-CB 4.23Å; F12-A66 HydrophobicContact CZ-CB 3.53Å; F12-I79 HydrophobicContact CE2-CD1 4.44Å; F12-I79 HydrophobicContact CZ-CD1 4.02Å |
| 13 | A | 84.8 | Confident | 78.3 | Confident | 32 Ų | 32 | 69.9 Ų | 69.9 | 26% | 0.264 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.3 | -33.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | M9 I10 Y15 C16 | M9-A13 WeakPolarHBondContact O-CB 3.48Å; M9-A13 PolarHBondContact O-N 3.28Å; I10-A13 PolarHBondContact O-N 3.07Å; A13-Y15 PolarHBondContact O-N 3.07Å; A13-C16 WeakPolarHBondContact O-CA 3.45Å; A13-C16 PolarHBondContact O-N 3.01Å |
| 14 | S | 83.7 | Confident | 77.5 | Confident | 58 Ų | 58 | 63.9 Ų | 63.9 | 41% | 0.406 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -22 | 175.9 | 57 | 0 | 0 | 0 | 0 | 114.5 | I10 S11 F12 S17 N20 | I10-S14 PolarHBondContact O-N 2.8Å; I10-S14 PolarHBondContact O-OG 3.34Å; S11-S14 PolarHBondContact O-OG 3.23Å; F12-S14 VanDerWaalsContact C-N 3.3Å; F12-S14 PolarHBondContact O-N 3.04Å; S14-S17 PolarHBondContact O-OG 3.2Å; S14-N20 PolarHBondContact O-ND2 3.33Å |
| 15 | Y | 77.7 | Confident | 77 | Confident | 46 Ų | 46 | 64 Ų | 64 | 18% | 0.18 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -14.2 | 171.5 | -60.9 | -74 | 0 | 0 | 0 | 112.9 | S11 F12 A13 S17 D28 S31 L32 | S11-Y15 WeakPolarHBondContact O-CD2 3.41Å; S11-Y15 VanDerWaalsContact O-CE2 3.28Å; S11-Y15 WeakPolarHBondContact O-CE2 3.27Å; F12-Y15 PolarHBondContact O-N 3.42Å; A13-Y15 PolarHBondContact O-N 3.07Å; Y15-S17 VanDerWaalsContact C-N 3.3Å; Y15-D28 HydrophobicContact CD1-CB 4.15Å; Y15-D28 HydrophobicContact CE1-CB 3.67Å; Y15-D28 VanDerWaalsContact CE1-OD1 3.26Å; Y15-D28 WeakPolarHBondContact CE1-OD1 3.3Å; Y15-S31 PolarHBondContact OH-OG 3.49Å; Y15-L32 HydrophobicContact CD2-CD1 4.27Å; Y15-L32 HydrophobicContact CD2-CD2 3.58Å; Y15-L32 HydrophobicContact CD2-CG 3.72Å; Y15-L32 HydrophobicContact CE2-CD2 4.38Å; Y15-L32 HydrophobicContact CE2-CG 4.2Å; Y15-L32 HydrophobicContact CG-CD1 4.06Å; Y15-L32 HydrophobicContact CG-CD2 4.05Å; Y15-L32 HydrophobicContact CG-CG 4.03Å |
| 16 | C | 74.5 | Confident | 76.7 | Confident | 12 Ų | 12 | 69 Ų | 69 | 8% | 0.081 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -88.9 | 10.8 | 179.2 | -60.9 | 0 | 0 | 0 | 0 | 113.5 | F12 A13 F65 | F12-C16 PolarHBondContact O-N 3.12Å; F12-C16 PolarHBondContact O-SG 3.26Å; A13-C16 WeakPolarHBondContact O-CA 3.45Å; A13-C16 PolarHBondContact O-N 3.01Å; C16-F65 HydrophobicContact CB-CB 4.36Å; C16-F65 HydrophobicContact CB-CD1 3.56Å; C16-F65 HydrophobicContact CB-CE1 4.11Å; C16-F65 HydrophobicContact CB-CG 4.05Å; C16-F65 WeakPolarHBondContact O-CD1 3.16Å; C16-F65 WeakPolarHBondContact O-CE1 3.28Å; C16-F65 WeakPolarHBondContact O-CE2 3.25Å; C16-F65 WeakPolarHBondContact O-CZ 3.41Å |
| 17 | S | 69.7 | Low | 76.3 | Confident | 53 Ų | 53 | 71.8 Ų | 71.8 | 37% | 0.371 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -82.2 | 136.6 | 166.4 | 53 | 0 | 0 | 0 | 0 | 110.6 | S14 Y15 A19 N20 A21 | S14-S17 PolarHBondContact O-OG 3.2Å; Y15-S17 VanDerWaalsContact C-N 3.3Å; S17-A19 VanDerWaalsContact C-N 3.31Å; S17-A19 PolarHBondContact O-N 3.34Å; S17-A19 VanDerWaalsContact O-N 3.11Å; S17-N20 PolarHBondContact O-N 3.43Å; S17-N20 PolarHBondContact OG-ND2 2.87Å; S17-A21 PolarHBondContact O-N 3.44Å |
| 18 | E | 61 | Low | 76 | Confident | 158 Ų | 158 | 72.1 Ų | 72.1 | 74% | 0.738 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -48.9 | -44.4 | -169.9 | -65 | 176.6 | 147.9 | 0 | 0 | 114.2 | N20 A21 F65 | E18-N20 VanDerWaalsContact C-N 3.25Å; E18-N20 PolarHBondContact O-N 3.14Å; E18-A21 PolarHBondContact O-N 2.92Å; E18-F65 HydrophobicContact CG-CE2 4.15Å |
| 19 | A | 62.1 | Low | 75.6 | Confident | 78 Ų | 78 | 70.4 Ų | 70.4 | 65% | 0.645 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -61.9 | -27.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | S17 | S17-A19 VanDerWaalsContact C-N 3.31Å; S17-A19 PolarHBondContact O-N 3.34Å; S17-A19 VanDerWaalsContact O-N 3.11Å |
| 20 | N | 63.5 | Low | 75.4 | Confident | 75 Ų | 75 | 75.2 Ų | 75.2 | 40% | 0.401 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -91.2 | -32.5 | -178.4 | -68.3 | -13.7 | 0 | 0 | 0 | 111.8 | S14 S17 E18 V22 K23 C24 | S14-N20 PolarHBondContact O-ND2 3.33Å; S17-N20 PolarHBondContact O-N 3.43Å; S17-N20 PolarHBondContact OG-ND2 2.87Å; E18-N20 VanDerWaalsContact C-N 3.25Å; E18-N20 PolarHBondContact O-N 3.14Å; N20-V22 VanDerWaalsContact C-N 3.25Å; N20-V22 PolarHBondContact O-N 3.37Å; N20-K23 CarbonylContact O-C 3.53Å; N20-K23 PolarHBondContact O-N 3.48Å; N20-C24 PolarHBondContact O-N 3.32Å |
| 21 | A | 59.9 | Low | 75.3 | Confident | 19 Ų | 19 | 71.7 Ų | 71.7 | 16% | 0.157 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -59.5 | -35.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113 | S17 E18 K23 F65 L70 | S17-A21 PolarHBondContact O-N 3.44Å; E18-A21 PolarHBondContact O-N 2.92Å; A21-K23 VanDerWaalsContact C-N 3.33Å; A21-F65 HydrophobicContact CB-CE1 3.67Å; A21-F65 HydrophobicContact CB-CZ 3.68Å; A21-L70 HydrophobicContact CB-CD2 4.34Å |
| 22 | V | 59.7 | Low | 75.3 | Confident | 131 Ų | 131 | 69.6 Ų | 69.6 | 79% | 0.794 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -15.9 | 179.5 | -175.2 | 0 | 0 | 0 | 0 | 112.7 | N20 | N20-V22 VanDerWaalsContact C-N 3.25Å; N20-V22 PolarHBondContact O-N 3.37Å |
| 23 | K | 63.2 | Low | 75.4 | Confident | 171 Ų | 171 | 71.7 Ų | 71.7 | 74% | 0.743 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.3 | 11.6 | -173 | -65.5 | -172.1 | 177.4 | -177 | 0 | 114.5 | N20 A21 K25 | N20-K23 CarbonylContact O-C 3.53Å; N20-K23 PolarHBondContact O-N 3.48Å; A21-K23 VanDerWaalsContact C-N 3.33Å; K23-K25 PolarHBondContact O-N 3.04Å |
| 24 | C | 68.7 | Low | 75.6 | Confident | 32 Ų | 32 | 72 Ų | 72 | 22% | 0.216 | 39% | 0.388 | C | S | . | . | trans | -61.1 | 118.2 | -176.3 | -168.8 | 0 | 0 | 0 | 0 | 111.4 | N20 D28 | N20-C24 PolarHBondContact O-N 3.32Å; C24-D28 WeakPolarHBondContact SG-CB 3.43Å | ||
| 25 | K | 79.5 | Confident | 75.8 | Confident | 135 Ų | 135 | 69.6 Ų | 69.6 | 59% | 0.587 | 37% | 0.371 | S | S | * | . | trans | -79.5 | 167.6 | 177.4 | -62 | -179.1 | 179.4 | -179.8 | 0 | 111.4 | K23 E27 D28 L29 | K23-K25 PolarHBondContact O-N 3.04Å; K25-E27 PolarHBondContact O-N 3.37Å; K25-D28 WeakPolarHBondContact CB-OD2 3.33Å; K25-D28 PolarHBondContact N-OD2 2.96Å; K25-D28 WeakPolarHBondContact O-CB 3.47Å; K25-D28 PolarHBondContact O-N 3.07Å; K25-D28 VanDerWaalsContact O-N 3.08Å; K25-L29 PolarHBondContact O-N 3.32Å | ||
| 26 | E | 81.3 | Confident | 76.4 | Confident | 105 Ų | 105 | 67.4 Ų | 67.4 | 49% | 0.491 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.1 | -31.7 | 174.5 | -173.7 | 60.3 | -166.4 | 0 | 0 | 112.2 | L29 L30 R33 | E26-L29 PolarHBondContact O-N 3.11Å; E26-L29 WeakPolarHBondContact OE2-CD1 3.1Å; E26-L30 VanDerWaalsContact O-CG 3.29Å; E26-L30 WeakPolarHBondContact O-CG 3.34Å; E26-L30 PolarHBondContact O-N 3.4Å; E26-R33 IonicContact OE1-CZ 2.76Å; E26-R33 IonicContact OE1-NH1 3.67Å; E26-R33 PolarHBondContact OE1-NH1 3.02Å; E26-R33 IonicContact OE1-NH2 2.68Å; E26-R33 PolarHBondContact OE1-NH2 2.7Å; E26-R33 IonicContact OE2-NH1 2.67Å; E26-R33 IonicContact OE2-NH2 2.72Å |
| 27 | E | 81.6 | Confident | 77.1 | Confident | 146 Ų | 146 | 73.9 Ų | 73.9 | 68% | 0.682 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -61.6 | -43.7 | 171.2 | -64.3 | 174.4 | 170.7 | 0 | 0 | 112.2 | K25 L30 S31 | K25-E27 PolarHBondContact O-N 3.37Å; E27-L30 PolarHBondContact O-N 3.28Å; E27-S31 PolarHBondContact O-N 3.04Å |
| 28 | D | 83 | Confident | 78.1 | Confident | 43 Ų | 43 | 75.2 Ų | 75.2 | 23% | 0.23 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -66.6 | -39.7 | 175.4 | -59.9 | -52.8 | 0 | 0 | 0 | 111 | Y15 C24 K25 S31 L32 | Y15-D28 HydrophobicContact CD1-CB 4.15Å; Y15-D28 HydrophobicContact CE1-CB 3.67Å; Y15-D28 VanDerWaalsContact CE1-OD1 3.26Å; Y15-D28 WeakPolarHBondContact CE1-OD1 3.3Å; C24-D28 WeakPolarHBondContact SG-CB 3.43Å; K25-D28 WeakPolarHBondContact CB-OD2 3.33Å; K25-D28 PolarHBondContact N-OD2 2.96Å; K25-D28 WeakPolarHBondContact O-CB 3.47Å; K25-D28 PolarHBondContact O-N 3.07Å; K25-D28 VanDerWaalsContact O-N 3.08Å; D28-S31 WeakPolarHBondContact O-CB 3.48Å; D28-S31 PolarHBondContact O-N 2.67Å; D28-L32 WeakPolarHBondContact O-CB 3.36Å; D28-L32 WeakPolarHBondContact O-CG 3.44Å; D28-L32 PolarHBondContact O-N 2.76Å |
| 29 | L | 82.4 | Confident | 79.4 | Confident | 29 Ų | 29 | 67.7 Ų | 67.7 | 15% | 0.152 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.6 | -38.7 | 173.7 | -69.5 | 176.3 | 0 | 0 | 0 | 111.8 | K25 E26 L32 R33 D72 | K25-L29 PolarHBondContact O-N 3.32Å; E26-L29 PolarHBondContact O-N 3.11Å; E26-L29 WeakPolarHBondContact OE2-CD1 3.1Å; L29-L32 HydrophobicContact CD2-CD1 4.28Å; L29-L32 PolarHBondContact O-N 3.14Å; L29-R33 VanDerWaalsContact O-CB 3.29Å; L29-R33 WeakPolarHBondContact O-CB 3.45Å; L29-R33 WeakPolarHBondContact O-CD 3.31Å; L29-R33 WeakPolarHBondContact O-CG 3.48Å; L29-R33 PolarHBondContact O-N 3.25Å; L29-D72 HydrophobicContact CD2-CB 4.18Å |
| 30 | L | 85.9 | Confident | 80.7 | Confident | 100 Ų | 100 | 64.9 Ų | 64.9 | 52% | 0.524 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.4 | -43 | 172.9 | -72.5 | 166.6 | 0 | 0 | 0 | 111.8 | E26 E27 R33 A34 | E26-L30 VanDerWaalsContact O-CG 3.29Å; E26-L30 WeakPolarHBondContact O-CG 3.34Å; E26-L30 PolarHBondContact O-N 3.4Å; E27-L30 PolarHBondContact O-N 3.28Å; L30-R33 PolarHBondContact O-N 3.04Å; L30-A34 WeakPolarHBondContact O-CB 3.14Å; L30-A34 PolarHBondContact O-N 2.56Å |
| 31 | S | 85.4 | Confident | 81.9 | Confident | 39 Ų | 39 | 64.4 Ų | 64.4 | 27% | 0.273 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -58.6 | -47.9 | 172.8 | -177.7 | 0 | 0 | 0 | 0 | 111.8 | Y15 E27 D28 A34 N35 | Y15-S31 PolarHBondContact OH-OG 3.49Å; E27-S31 PolarHBondContact O-N 3.04Å; D28-S31 WeakPolarHBondContact O-CB 3.48Å; D28-S31 PolarHBondContact O-N 2.67Å; S31-A34 PolarHBondContact O-N 2.74Å; S31-N35 WeakPolarHBondContact O-CB 3.17Å; S31-N35 PolarHBondContact O-N 3.32Å |
| 32 | L | 86.1 | Confident | 83.2 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.6 | -51 | 175.7 | -81.1 | 167.1 | 0 | 0 | 0 | 112.6 | F12 Y15 D28 L29 A34 N35 V36 L70 L75 | F12-L32 HydrophobicContact CD2-CD2 3.49Å; F12-L32 VanDerWaalsContact CD2-CD2 3.49Å; F12-L32 HydrophobicContact CE2-CD2 3.96Å; F12-L32 HydrophobicContact CG-CD2 4.43Å; Y15-L32 HydrophobicContact CD2-CD1 4.27Å; Y15-L32 HydrophobicContact CD2-CD2 3.58Å; Y15-L32 HydrophobicContact CD2-CG 3.72Å; Y15-L32 HydrophobicContact CE2-CD2 4.38Å; Y15-L32 HydrophobicContact CE2-CG 4.2Å; Y15-L32 HydrophobicContact CG-CD1 4.06Å; Y15-L32 HydrophobicContact CG-CD2 4.05Å; Y15-L32 HydrophobicContact CG-CG 4.03Å; D28-L32 WeakPolarHBondContact O-CB 3.36Å; D28-L32 WeakPolarHBondContact O-CG 3.44Å; D28-L32 PolarHBondContact O-N 2.76Å; L29-L32 HydrophobicContact CD2-CD1 4.28Å; L29-L32 PolarHBondContact O-N 3.14Å; L32-A34 PolarHBondContact O-N 3.48Å; L32-N35 PolarHBondContact O-N 2.86Å; L32-N35 VanDerWaalsContact O-N 3.15Å; L32-V36 WeakPolarHBondContact O-CG2 3.46Å; L32-V36 PolarHBondContact O-N 2.88Å; L32-L70 HydrophobicContact CD1-CD1 4.07Å; L32-L75 HydrophobicContact CB-CD1 3.97Å; L32-L75 HydrophobicContact CB-CD2 4.45Å |
| 33 | R | 89.6 | Confident | 84.4 | Confident | 43 Ų | 43 | 58.1 Ų | 58.1 | 16% | 0.162 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -56.7 | -38.5 | 175.9 | -72.4 | 162.6 | -175.8 | 153.8 | -0.6 | 111.1 | E26 L29 L30 K37 D72 V74 Q78 | E26-R33 IonicContact OE1-CZ 2.76Å; E26-R33 IonicContact OE1-NH1 3.67Å; E26-R33 PolarHBondContact OE1-NH1 3.02Å; E26-R33 IonicContact OE1-NH2 2.68Å; E26-R33 PolarHBondContact OE1-NH2 2.7Å; E26-R33 IonicContact OE2-NH1 2.67Å; E26-R33 IonicContact OE2-NH2 2.72Å; L29-R33 VanDerWaalsContact O-CB 3.29Å; L29-R33 WeakPolarHBondContact O-CB 3.45Å; L29-R33 WeakPolarHBondContact O-CD 3.31Å; L29-R33 WeakPolarHBondContact O-CG 3.48Å; L29-R33 PolarHBondContact O-N 3.25Å; L30-R33 PolarHBondContact O-N 3.04Å; R33-K37 VanDerWaalsContact O-CB 3.27Å; R33-K37 WeakPolarHBondContact O-CB 3.38Å; R33-K37 PolarHBondContact O-N 3.03Å; R33-K37 VanDerWaalsContact O-N 3.17Å; R33-D72 WeakPolarHBondContact CG-OD2 3.11Å; R33-D72 IonicContact CZ-OD1 3.69Å; R33-D72 IonicContact CZ-OD2 2.93Å; R33-D72 VanDerWaalsContact NE-CG 3.28Å; R33-D72 IonicContact NE-OD1 3.63Å; R33-D72 PolarHBondContact NE-OD1 3.22Å; R33-D72 IonicContact NE-OD2 2.71Å; R33-D72 PolarHBondContact NE-OD2 3.13Å; R33-D72 IonicContact NH2-OD1 2.81Å; R33-D72 PolarHBondContact NH2-OD1 3.49Å; R33-D72 IonicContact NH2-OD2 3.37Å; R33-V74 HydrophobicContact CG-CB 4.34Å; R33-V74 HydrophobicContact CG-CG1 4.1Å; R33-Q78 PolarHBondContact O-NE2 3.33Å; R33-Q78 PolarHBondContact O-OE1 3.21Å |
| 34 | A | 89 | Confident | 85.3 | Confident | 38 Ų | 38 | 53.1 Ų | 53.1 | 31% | 0.314 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -69.9 | -43.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L30 S31 L32 K37 K38 | L30-A34 WeakPolarHBondContact O-CB 3.14Å; L30-A34 PolarHBondContact O-N 2.56Å; S31-A34 PolarHBondContact O-N 2.74Å; L32-A34 PolarHBondContact O-N 3.48Å; A34-K37 PolarHBondContact O-N 2.62Å; A34-K38 VanDerWaalsContact O-CG 3.24Å; A34-K38 WeakPolarHBondContact O-CG 3.49Å; A34-K38 PolarHBondContact O-N 3.36Å |
| 35 | N | 88.2 | Confident | 85.9 | Confident | 8 Ų | 8 | 55.9 Ų | 55.9 | 4% | 0.043 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -68 | -42.5 | 179.8 | -75.3 | -17.6 | 0 | 0 | 0 | 112.4 | S11 S31 L32 K37 K38 I39 | S11-N35 PolarHBondContact OG-ND2 2.88Å; S31-N35 WeakPolarHBondContact O-CB 3.17Å; S31-N35 PolarHBondContact O-N 3.32Å; L32-N35 PolarHBondContact O-N 2.86Å; L32-N35 VanDerWaalsContact O-N 3.15Å; N35-K37 VanDerWaalsContact C-N 3.31Å; N35-K37 PolarHBondContact O-N 3Å; N35-K38 WeakPolarHBondContact O-CB 3.45Å; N35-K38 PolarHBondContact O-N 2.65Å; N35-K38 PolarHBondContact OD1-NZ 3.37Å; N35-I39 WeakPolarHBondContact O-CD1 3.43Å; N35-I39 VanDerWaalsContact O-CG1 3.3Å; N35-I39 WeakPolarHBondContact O-CG1 3.19Å; N35-I39 PolarHBondContact O-N 2.98Å |
| 36 | V | 89.5 | Confident | 86 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.6 | -36.6 | 173.9 | 178.1 | 0 | 0 | 0 | 0 | 111.4 | F12 L32 I39 S40 L75 Q78 I79 I82 | F12-V36 HydrophobicContact CD2-CG2 3.59Å; F12-V36 HydrophobicContact CE2-CG2 3.34Å; F12-V36 HydrophobicContact CZ-CG2 4.21Å; L32-V36 WeakPolarHBondContact O-CG2 3.46Å; L32-V36 PolarHBondContact O-N 2.88Å; V36-I39 PolarHBondContact O-N 3.43Å; V36-S40 WeakPolarHBondContact O-CB 3.35Å; V36-S40 PolarHBondContact O-N 2.9Å; V36-L75 HydrophobicContact CB-CD1 3.98Å; V36-L75 HydrophobicContact CG2-CD1 3.53Å; V36-L75 HydrophobicContact CG2-CG 4.5Å; V36-Q78 HydrophobicContact CG1-CB 3.64Å; V36-I79 HydrophobicContact CG1-CG1 4Å; V36-I82 HydrophobicContact CG1-CD1 3.53Å |
| 37 | K | 89.9 | Confident | 85.9 | Confident | 149 Ų | 149 | 50.2 Ų | 50.2 | 65% | 0.648 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -63 | -42.4 | 173.5 | -168 | 175 | -178 | -179.6 | 0 | 111.7 | R33 A34 N35 S40 S41 Q78 | R33-K37 VanDerWaalsContact O-CB 3.27Å; R33-K37 WeakPolarHBondContact O-CB 3.38Å; R33-K37 PolarHBondContact O-N 3.03Å; R33-K37 VanDerWaalsContact O-N 3.17Å; A34-K37 PolarHBondContact O-N 2.62Å; N35-K37 VanDerWaalsContact C-N 3.31Å; N35-K37 PolarHBondContact O-N 3Å; K37-S40 PolarHBondContact O-N 3.12Å; K37-S41 PolarHBondContact O-N 3.17Å; K37-S41 VanDerWaalsContact O-N 3.15Å; K37-Q78 VanDerWaalsContact CA-OE1 3.27Å |
| 38 | K | 90.5 | Very high | 86 | Confident | 80 Ų | 80 | 48 Ų | 48 | 35% | 0.348 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.3 | -42.4 | 174.1 | -64.3 | 164.1 | -156.8 | 164.7 | 0 | 112.2 | Y8 A34 N35 S40 S41 L42 | Y8-K38 HydrophobicContact CD1-CD 4.11Å; Y8-K38 HydrophobicContact CD2-CB 3.67Å; Y8-K38 HydrophobicContact CD2-CD 4.41Å; Y8-K38 HydrophobicContact CE1-CD 3.67Å; Y8-K38 HydrophobicContact CE2-CB 3.56Å; Y8-K38 HydrophobicContact CE2-CD 4Å; Y8-K38 HydrophobicContact CE2-CG 4.22Å; Y8-K38 HydrophobicContact CG-CB 4.31Å; Y8-K38 HydrophobicContact CG-CD 4.48Å; A34-K38 VanDerWaalsContact O-CG 3.24Å; A34-K38 WeakPolarHBondContact O-CG 3.49Å; A34-K38 PolarHBondContact O-N 3.36Å; N35-K38 WeakPolarHBondContact O-CB 3.45Å; N35-K38 PolarHBondContact O-N 2.65Å; N35-K38 PolarHBondContact OD1-NZ 3.37Å; K38-S40 VanDerWaalsContact C-N 3.33Å; K38-S40 PolarHBondContact O-N 3.15Å; K38-S41 PolarHBondContact O-N 2.86Å; K38-S41 PolarHBondContact O-OG 3.11Å; K38-L42 WeakPolarHBondContact O-CG 3.48Å; K38-L42 PolarHBondContact O-N 3.28Å; K38-L42 VanDerWaalsContact O-N 3.1Å |
| 39 | I | 89.2 | Confident | 86 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.9 | -46.1 | 173.7 | -68.7 | 158.4 | 0 | 0 | 0 | 109.9 | L5 M9 N35 V36 S41 L42 L43 F63 I82 | L5-I39 HydrophobicContact CD1-CG1 4.35Å; L5-I39 HydrophobicContact CD1-CG2 4.03Å; M9-I39 HydrophobicContact SD-CD1 3.64Å; M9-I39 HydrophobicContact SD-CG1 4.25Å; M9-I39 HydrophobicContact SD-CG2 4.38Å; N35-I39 WeakPolarHBondContact O-CD1 3.43Å; N35-I39 VanDerWaalsContact O-CG1 3.3Å; N35-I39 WeakPolarHBondContact O-CG1 3.19Å; N35-I39 PolarHBondContact O-N 2.98Å; V36-I39 PolarHBondContact O-N 3.43Å; I39-S41 VanDerWaalsContact C-N 3.27Å; I39-S41 PolarHBondContact O-N 3.48Å; I39-L42 PolarHBondContact O-N 3.02Å; I39-L43 HydrophobicContact CG2-CD1 3.68Å; I39-L43 HydrophobicContact CG2-CG 4.22Å; I39-L43 WeakPolarHBondContact O-CB 3.36Å; I39-L43 VanDerWaalsContact O-CG 3.25Å; I39-L43 WeakPolarHBondContact O-CG 3.4Å; I39-L43 PolarHBondContact O-N 3.06Å; I39-F63 HydrophobicContact CG2-CZ 4.19Å; I39-I82 HydrophobicContact CG2-CD1 4.15Å |
| 40 | S | 89.3 | Confident | 86.1 | Confident | 19 Ų | 19 | 46.5 Ų | 46.5 | 13% | 0.133 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.3 | -32.1 | 179.2 | -160.9 | 0 | 0 | 0 | 0 | 113.4 | V36 K37 K38 S44 K85 | V36-S40 WeakPolarHBondContact O-CB 3.35Å; V36-S40 PolarHBondContact O-N 2.9Å; K37-S40 PolarHBondContact O-N 3.12Å; K38-S40 VanDerWaalsContact C-N 3.33Å; K38-S40 PolarHBondContact O-N 3.15Å; S40-S44 PolarHBondContact O-N 2.64Å; S40-S44 VanDerWaalsContact O-N 3.13Å; S40-S44 PolarHBondContact O-OG 3.27Å; S40-K85 PolarHBondContact O-NZ 3.36Å; S40-K85 PolarHBondContact OG-NZ 3.23Å |
| 41 | S | 88 | Confident | 86 | Confident | 65 Ų | 65 | 47.5 Ų | 47.5 | 46% | 0.455 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -77.7 | -41.4 | 175.5 | 72 | 0 | 0 | 0 | 0 | 112.8 | K37 K38 I39 L43 S44 S45 | K37-S41 PolarHBondContact O-N 3.17Å; K37-S41 VanDerWaalsContact O-N 3.15Å; K38-S41 PolarHBondContact O-N 2.86Å; K38-S41 PolarHBondContact O-OG 3.11Å; I39-S41 VanDerWaalsContact C-N 3.27Å; I39-S41 PolarHBondContact O-N 3.48Å; S41-L43 VanDerWaalsContact C-N 3.27Å; S41-L43 PolarHBondContact O-N 3.44Å; S41-S44 WeakPolarHBondContact O-CB 3.47Å; S41-S44 PolarHBondContact O-N 3Å; S41-S45 WeakPolarHBondContact O-CB 3.48Å; S41-S45 PolarHBondContact O-N 3.33Å; S41-S45 PolarHBondContact O-OG 2.56Å |
| 42 | L | 86.7 | Confident | 85.9 | Confident | 19 Ų | 19 | 45.9 Ų | 45.9 | 10% | 0.099 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.6 | -38.4 | 172.6 | -70.5 | 175.7 | 0 | 0 | 0 | 111.9 | M1 K4 L5 Y8 K38 I39 S45 S46 | M1-L42 HydrophobicContact CG-CD2 4.06Å; M1-L42 HydrophobicContact SD-CD2 4.37Å; K4-L42 HydrophobicContact CB-CD1 4.05Å; L5-L42 HydrophobicContact CB-CD1 4.08Å; Y8-L42 HydrophobicContact CD2-CD1 3.8Å; Y8-L42 HydrophobicContact CE2-CD1 3.9Å; K38-L42 WeakPolarHBondContact O-CG 3.48Å; K38-L42 PolarHBondContact O-N 3.28Å; K38-L42 VanDerWaalsContact O-N 3.1Å; I39-L42 PolarHBondContact O-N 3.02Å; L42-S45 PolarHBondContact O-N 2.74Å; L42-S46 PolarHBondContact O-N 3.14Å |
| 43 | L | 85.4 | Confident | 85.9 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -74.2 | -31.1 | 177.1 | -65 | 173.1 | 0 | 0 | 0 | 113.3 | I39 S41 S45 C49 R50 I53 I82 L86 | I39-L43 HydrophobicContact CG2-CD1 3.68Å; I39-L43 HydrophobicContact CG2-CG 4.22Å; I39-L43 WeakPolarHBondContact O-CB 3.36Å; I39-L43 VanDerWaalsContact O-CG 3.25Å; I39-L43 WeakPolarHBondContact O-CG 3.4Å; I39-L43 PolarHBondContact O-N 3.06Å; S41-L43 VanDerWaalsContact C-N 3.27Å; S41-L43 PolarHBondContact O-N 3.44Å; L43-S45 VanDerWaalsContact C-N 3.3Å; L43-C49 HydrophobicContact CD2-CB 4.08Å; L43-C49 WeakPolarHBondContact CD2-O 3.34Å; L43-R50 HydrophobicContact CB-CG 4.08Å; L43-R50 HydrophobicContact CD2-CB 4.47Å; L43-R50 HydrophobicContact CD2-CG 3.78Å; L43-R50 WeakPolarHBondContact O-CD 3.41Å; L43-R50 WeakPolarHBondContact O-CG 3.47Å; L43-R50 PolarHBondContact O-NE 3.15Å; L43-I53 HydrophobicContact CD1-CD1 3.46Å; L43-I53 VanDerWaalsContact CD1-CD1 3.46Å; L43-I53 HydrophobicContact CD2-CD1 3.45Å; L43-I53 VanDerWaalsContact CD2-CD1 3.45Å; L43-I53 HydrophobicContact CD2-CG1 4.3Å; L43-I53 HydrophobicContact CG-CD1 4Å; L43-I82 HydrophobicContact CD1-CG1 4.44Å; L43-I82 HydrophobicContact CD1-CG2 3.64Å; L43-L86 HydrophobicContact CD2-CD2 4.46Å |
| 44 | S | 82.5 | Confident | 85.6 | Confident | 66 Ų | 66 | 45.2 Ų | 45.2 | 46% | 0.462 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -57.7 | -50.6 | 165.5 | -67.4 | 0 | 0 | 0 | 0 | 109.7 | S40 S41 R50 K85 | S40-S44 PolarHBondContact O-N 2.64Å; S40-S44 VanDerWaalsContact O-N 3.13Å; S40-S44 PolarHBondContact O-OG 3.27Å; S41-S44 WeakPolarHBondContact O-CB 3.47Å; S41-S44 PolarHBondContact O-N 3Å; S44-R50 PolarHBondContact O-NH2 3.43Å; S44-K85 PolarHBondContact OG-NZ 3.4Å |
| 45 | S | 80 | Confident | 85.3 | Confident | 89 Ų | 89 | 49 Ų | 49 | 62% | 0.622 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -71.8 | -33.8 | -166.4 | -51.1 | 0 | 0 | 0 | 0 | 115.4 | S41 L42 L43 | S41-S45 WeakPolarHBondContact O-CB 3.48Å; S41-S45 PolarHBondContact O-N 3.33Å; S41-S45 PolarHBondContact O-OG 2.56Å; L42-S45 PolarHBondContact O-N 2.74Å; L43-S45 VanDerWaalsContact C-N 3.3Å |
| 46 | S | 82.5 | Confident | 85.1 | Confident | 15 Ų | 15 | 51.7 Ų | 51.7 | 11% | 0.105 | 26% | 0.261 | C | S | . | . | trans | -129 | 125.6 | -171.4 | 175.4 | 0 | 0 | 0 | 0 | 114.9 | L42 K48 C49 R50 | L42-S46 PolarHBondContact O-N 3.14Å; S46-K48 PolarHBondContact O-N 2.96Å; S46-K48 PolarHBondContact OG-N 3.35Å; S46-C49 VanDerWaalsContact CB-SG 3.6Å; S46-C49 PolarHBondContact O-N 3.07Å; S46-C49 PolarHBondContact OG-N 2.69Å; S46-C49 VanDerWaalsContact OG-N 3.09Å; S46-R50 PolarHBondContact O-N 3.27Å | ||
| 47 | N | 80.2 | Confident | 84.7 | Confident | 106 Ų | 106 | 56.1 Ų | 56.1 | 57% | 0.567 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -15.8 | 166.9 | -81.2 | -29 | 0 | 0 | 0 | 113.3 | R50 R51 | N47-R50 PolarHBondContact OD1-NH1 2.85Å; N47-R50 PolarHBondContact OD1-NH2 2.85Å; N47-R50 VanDerWaalsContact OD1-NH2 3.12Å; N47-R51 PolarHBondContact O-NE 3.14Å |
| 48 | K | 82.5 | Confident | 84.5 | Confident | 99 Ų | 99 | 51.9 Ų | 51.9 | 43% | 0.43 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -40 | 174.7 | -167.7 | 157.3 | 176.8 | -101.2 | 0 | 111.2 | E2 S46 R50 R51 M52 | E2-K48 WeakPolarHBondContact OE1-CD 3.45Å; E2-K48 WeakPolarHBondContact OE1-CE 3.42Å; E2-K48 WeakPolarHBondContact OE1-CG 3.18Å; E2-K48 IonicContact OE1-NZ 3.06Å; E2-K48 PolarHBondContact OE1-NZ 3.06Å; E2-K48 IonicContact OE2-NZ 3.84Å; E2-K48 PolarHBondContact OE2-NZ 2.97Å; S46-K48 PolarHBondContact O-N 2.96Å; S46-K48 PolarHBondContact OG-N 3.35Å; K48-R50 VanDerWaalsContact C-N 3.29Å; K48-R50 PolarHBondContact O-N 3.12Å; K48-R51 WeakPolarHBondContact O-CA 3.48Å; K48-R51 WeakPolarHBondContact O-CB 3.39Å; K48-R51 PolarHBondContact O-N 2.96Å; K48-M52 WeakPolarHBondContact O-CG 3.23Å; K48-M52 PolarHBondContact O-N 3.3Å |
| 49 | C | 83.8 | Confident | 84.5 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58 | -40.6 | 166.9 | -65.3 | 0 | 0 | 0 | 0 | 112.1 | L5 L43 S46 R51 M52 | L5-C49 HydrophobicContact CD2-CB 3.93Å; L43-C49 HydrophobicContact CD2-CB 4.08Å; L43-C49 WeakPolarHBondContact CD2-O 3.34Å; S46-C49 VanDerWaalsContact CB-SG 3.6Å; S46-C49 PolarHBondContact O-N 3.07Å; S46-C49 PolarHBondContact OG-N 2.69Å; S46-C49 VanDerWaalsContact OG-N 3.09Å; C49-R51 PolarHBondContact O-N 2.93Å; C49-M52 PolarHBondContact O-N 3.31Å |
| 50 | R | 84.1 | Confident | 84.4 | Confident | 41 Ų | 41 | 49 Ų | 49 | 16% | 0.155 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -70 | -8.2 | 172 | -81.4 | -168.5 | -93 | 115.1 | 6.5 | 115 | L43 S44 S46 N47 K48 F54 L86 | L43-R50 HydrophobicContact CB-CG 4.08Å; L43-R50 HydrophobicContact CD2-CB 4.47Å; L43-R50 HydrophobicContact CD2-CG 3.78Å; L43-R50 WeakPolarHBondContact O-CD 3.41Å; L43-R50 WeakPolarHBondContact O-CG 3.47Å; L43-R50 PolarHBondContact O-NE 3.15Å; S44-R50 PolarHBondContact O-NH2 3.43Å; S46-R50 PolarHBondContact O-N 3.27Å; N47-R50 PolarHBondContact OD1-NH1 2.85Å; N47-R50 PolarHBondContact OD1-NH2 2.85Å; N47-R50 VanDerWaalsContact OD1-NH2 3.12Å; K48-R50 VanDerWaalsContact C-N 3.29Å; K48-R50 PolarHBondContact O-N 3.12Å; R50-F54 WeakPolarHBondContact O-CD2 3.48Å; R50-L86 HydrophobicContact CB-CD2 4.31Å; R50-L86 HydrophobicContact CG-CD2 3.83Å |
| 51 | R | 82.6 | Confident | 84.3 | Confident | 122 Ų | 122 | 50.4 Ų | 50.4 | 46% | 0.46 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -91.7 | -44.7 | 167.9 | -89.4 | -176.4 | -94.1 | -175.9 | -6.9 | 111.1 | N47 K48 C49 I53 F54 E55 | N47-R51 PolarHBondContact O-NE 3.14Å; K48-R51 WeakPolarHBondContact O-CA 3.48Å; K48-R51 WeakPolarHBondContact O-CB 3.39Å; K48-R51 PolarHBondContact O-N 2.96Å; C49-R51 PolarHBondContact O-N 2.93Å; R51-I53 VanDerWaalsContact C-N 3.26Å; R51-I53 PolarHBondContact O-N 3.22Å; R51-I53 VanDerWaalsContact O-N 3.13Å; R51-F54 CarbonylContact O-C 3.58Å; R51-F54 WeakPolarHBondContact O-CA 3.46Å; R51-F54 WeakPolarHBondContact O-CB 3.25Å; R51-F54 PolarHBondContact O-N 3.03Å; R51-E55 WeakPolarHBondContact CB-OE1 3.26Å; R51-E55 PolarHBondContact O-N 3.27Å |
| 52 | M | 84.9 | Confident | 84.4 | Confident | 5 Ų | 5 | 48.4 Ų | 48.4 | 3% | 0.025 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -53 | -35.1 | -179.3 | -70 | 176.4 | 73.5 | 0 | 0 | 115.3 | E2 L5 K6 K48 C49 F54 E55 H56 | E2-M52 HydrophobicContact CB-CE 3.88Å; E2-M52 HydrophobicContact CB-SD 3.52Å; E2-M52 VanDerWaalsContact CB-SD 3.52Å; E2-M52 HydrophobicContact CG-SD 3.5Å; E2-M52 VanDerWaalsContact CG-SD 3.5Å; L5-M52 HydrophobicContact CD2-CB 3.93Å; L5-M52 HydrophobicContact CD2-SD 4.13Å; K6-M52 HydrophobicContact CD-CE 4.34Å; K6-M52 HydrophobicContact CG-CE 3.87Å; K48-M52 WeakPolarHBondContact O-CG 3.23Å; K48-M52 PolarHBondContact O-N 3.3Å; C49-M52 PolarHBondContact O-N 3.31Å; M52-F54 PolarHBondContact O-N 2.56Å; M52-E55 VanDerWaalsContact CA-OE2 3.29Å; M52-E55 WeakPolarHBondContact CA-OE2 3.41Å; M52-E55 WeakPolarHBondContact CG-OE2 3.4Å; M52-E55 PolarHBondContact O-N 3.03Å; M52-H56 PolarHBondContact O-N 2.7Å |
| 53 | I | 85.3 | Confident | 84.6 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -20.2 | 174.8 | -70.6 | 179.6 | 0 | 0 | 0 | 112.8 | L5 L43 R51 Y59 V60 F63 L86 | L5-I53 HydrophobicContact CD2-CG1 4.4Å; L43-I53 HydrophobicContact CD1-CD1 3.46Å; L43-I53 VanDerWaalsContact CD1-CD1 3.46Å; L43-I53 HydrophobicContact CD2-CD1 3.45Å; L43-I53 VanDerWaalsContact CD2-CD1 3.45Å; L43-I53 HydrophobicContact CD2-CG1 4.3Å; L43-I53 HydrophobicContact CG-CD1 4Å; R51-I53 VanDerWaalsContact C-N 3.26Å; R51-I53 PolarHBondContact O-N 3.22Å; R51-I53 VanDerWaalsContact O-N 3.13Å; I53-Y59 HydrophobicContact CG1-CD2 4.4Å; I53-V60 HydrophobicContact CG2-CG2 3.67Å; I53-V60 WeakPolarHBondContact O-CG2 3.24Å; I53-F63 HydrophobicContact CD1-CE2 4Å; I53-F63 HydrophobicContact CD1-CZ 4.35Å; I53-F63 HydrophobicContact CG2-CE2 4.21Å; I53-L86 HydrophobicContact CG2-CD1 4Å |
| 54 | F | 83.8 | Confident | 84.8 | Confident | 29 Ų | 29 | 47.7 Ų | 47.7 | 13% | 0.127 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 0 | 172.9 | -60.3 | -84.4 | 0 | 0 | 0 | 113.3 | R50 R51 M52 L86 R95 M98 L99 | R50-F54 WeakPolarHBondContact O-CD2 3.48Å; R51-F54 CarbonylContact O-C 3.58Å; R51-F54 WeakPolarHBondContact O-CA 3.46Å; R51-F54 WeakPolarHBondContact O-CB 3.25Å; R51-F54 PolarHBondContact O-N 3.03Å; M52-F54 PolarHBondContact O-N 2.56Å; F54-L86 HydrophobicContact CE2-CB 4.21Å; F54-L86 HydrophobicContact CE2-CD1 4.45Å; F54-L86 HydrophobicContact CE2-CD2 4.02Å; F54-L86 HydrophobicContact CE2-CG 4.44Å; F54-L86 HydrophobicContact CZ-CB 4.08Å; F54-L86 HydrophobicContact CZ-CD1 4.42Å; F54-R95 HydrophobicContact CB-CG 4.38Å; F54-R95 HydrophobicContact CD1-CB 3.77Å; F54-R95 HydrophobicContact CD1-CG 3.73Å; F54-R95 HydrophobicContact CD2-CG 4.08Å; F54-R95 HydrophobicContact CE1-CB 3.54Å; F54-R95 HydrophobicContact CE1-CG 3.95Å; F54-R95 HydrophobicContact CE2-CB 4.43Å; F54-R95 HydrophobicContact CE2-CG 4.27Å; F54-R95 HydrophobicContact CG-CB 4.32Å; F54-R95 HydrophobicContact CG-CG 3.79Å; F54-R95 HydrophobicContact CZ-CB 3.89Å; F54-R95 HydrophobicContact CZ-CG 4.21Å; F54-M98 HydrophobicContact CB-SD 4.15Å; F54-M98 HydrophobicContact CD1-CB 4.46Å; F54-M98 HydrophobicContact CD1-CE 3.82Å; F54-M98 HydrophobicContact CD1-SD 3.89Å; F54-L99 HydrophobicContact CE1-CD1 4.41Å; F54-L99 HydrophobicContact CE1-CD2 3.92Å; F54-L99 HydrophobicContact CE1-CG 3.96Å; F54-L99 HydrophobicContact CZ-CD2 4.28Å; F54-L99 HydrophobicContact CZ-CG 4.46Å |
| 55 | E | 82.9 | Confident | 85.1 | Confident | 116 Ų | 116 | 46 Ų | 46 | 54% | 0.542 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -34 | 172.9 | -65.6 | 159.5 | -178.1 | 0 | 0 | 110 | R51 M52 | R51-E55 WeakPolarHBondContact CB-OE1 3.26Å; R51-E55 PolarHBondContact O-N 3.27Å; M52-E55 VanDerWaalsContact CA-OE2 3.29Å; M52-E55 WeakPolarHBondContact CA-OE2 3.41Å; M52-E55 WeakPolarHBondContact CG-OE2 3.4Å; M52-E55 PolarHBondContact O-N 3.03Å |
| 56 | H | 83.5 | Confident | 85.4 | Confident | 65 Ų | 65 | 41.9 Ų | 41.9 | 30% | 0.301 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -101.7 | 96.3 | 171.2 | -67.2 | -63.5 | 0 | 0 | 0 | 110.6 | M52 S58 Y59 | M52-H56 PolarHBondContact O-N 2.7Å; H56-S58 PolarHBondContact O-N 3.07Å; H56-S58 VanDerWaalsContact O-N 3.16Å; H56-Y59 HydrophobicContact CB-CD1 4.26Å; H56-Y59 HydrophobicContact CB-CD2 3.56Å; H56-Y59 HydrophobicContact CB-CE1 4.26Å; H56-Y59 HydrophobicContact CB-CE2 3.58Å; H56-Y59 HydrophobicContact CB-CG 3.91Å; H56-Y59 AromaticContact CD2-CE2 3.55Å; H56-Y59 AromaticContact CD2-CZ 3.96Å; H56-Y59 AromaticContact CG-CE2 3.79Å; H56-Y59 PolarHBondContact O-N 3.21Å; H56-Y59 VanDerWaalsContact O-N 3.1Å |
| 57 | E | 80.8 | Confident | 85.7 | Confident | 94 Ų | 94 | 41.5 Ų | 41.5 | 44% | 0.439 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -57.2 | -29.7 | -177.7 | -70.5 | -155.6 | 116.9 | 0 | 0 | 114.6 | Y59 V60 S61 K102 | E57-Y59 VanDerWaalsContact C-N 3.29Å; E57-Y59 PolarHBondContact O-N 3.01Å; E57-V60 PolarHBondContact O-N 3.13Å; E57-S61 PolarHBondContact O-N 2.69Å; E57-K102 WeakPolarHBondContact OE1-CE 3.36Å; E57-K102 IonicContact OE1-NZ 3.66Å; E57-K102 PolarHBondContact OE1-NZ 2.85Å; E57-K102 WeakPolarHBondContact OE2-CE 3.44Å; E57-K102 IonicContact OE2-NZ 3.72Å; E57-K102 PolarHBondContact OE2-NZ 2.95Å |
| 58 | S | 86.7 | Confident | 86 | Confident | 60 Ų | 60 | 38.8 Ų | 38.8 | 42% | 0.42 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -56.7 | -42.5 | 175.9 | 51.2 | 0 | 0 | 0 | 0 | 111.8 | H56 V60 S61 D62 | H56-S58 PolarHBondContact O-N 3.07Å; H56-S58 VanDerWaalsContact O-N 3.16Å; S58-V60 PolarHBondContact O-N 3Å; S58-S61 CarbonylContact O-C 3.25Å; S58-S61 WeakPolarHBondContact O-CA 3.03Å; S58-S61 VanDerWaalsContact O-CB 3.26Å; S58-S61 WeakPolarHBondContact O-CB 3.21Å; S58-S61 PolarHBondContact O-N 2.9Å; S58-D62 PolarHBondContact O-N 2.97Å |
| 59 | Y | 89.7 | Confident | 86 | Confident | 18 Ų | 18 | 39.7 Ų | 39.7 | 7% | 0.071 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.7 | -27.5 | -175.7 | -62.1 | -11.7 | 0 | 0 | 0 | 113.2 | M9 I53 H56 E57 D62 F63 | M9-Y59 HydrophobicContact CB-CD1 3.67Å; M9-Y59 HydrophobicContact CB-CD2 4.28Å; M9-Y59 HydrophobicContact CB-CE1 3.47Å; M9-Y59 VanDerWaalsContact CB-CE1 3.47Å; M9-Y59 HydrophobicContact CB-CE2 4.09Å; M9-Y59 HydrophobicContact CB-CG 4.1Å; M9-Y59 HydrophobicContact CE-CD1 3.88Å; M9-Y59 HydrophobicContact CE-CG 3.87Å; M9-Y59 HydrophobicContact CG-CD1 3.97Å; M9-Y59 HydrophobicContact CG-CD2 3.8Å; M9-Y59 HydrophobicContact CG-CE1 4.09Å; M9-Y59 HydrophobicContact CG-CE2 3.91Å; M9-Y59 HydrophobicContact CG-CG 3.85Å; M9-Y59 HydrophobicContact SD-CG 4.35Å; I53-Y59 HydrophobicContact CG1-CD2 4.4Å; H56-Y59 HydrophobicContact CB-CD1 4.26Å; H56-Y59 HydrophobicContact CB-CD2 3.56Å; H56-Y59 HydrophobicContact CB-CE1 4.26Å; H56-Y59 HydrophobicContact CB-CE2 3.58Å; H56-Y59 HydrophobicContact CB-CG 3.91Å; H56-Y59 AromaticContact CD2-CE2 3.55Å; H56-Y59 AromaticContact CD2-CZ 3.96Å; H56-Y59 AromaticContact CG-CE2 3.79Å; H56-Y59 PolarHBondContact O-N 3.21Å; H56-Y59 VanDerWaalsContact O-N 3.1Å; E57-Y59 VanDerWaalsContact C-N 3.29Å; E57-Y59 PolarHBondContact O-N 3.01Å; Y59-D62 WeakPolarHBondContact CA-OD2 3.37Å; Y59-F63 WeakPolarHBondContact O-CD2 3.48Å; Y59-F63 VanDerWaalsContact O-CE2 3.29Å; Y59-F63 WeakPolarHBondContact O-CE2 3.33Å; Y59-F63 PolarHBondContact O-N 3.27Å |
| 60 | V | 87.8 | Confident | 85.8 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -84.6 | -33.1 | 173.7 | 175.9 | 0 | 0 | 0 | 0 | 112.2 | I53 E57 S58 D62 F63 A64 M98 L99 K102 I104 | I53-V60 HydrophobicContact CG2-CG2 3.67Å; I53-V60 WeakPolarHBondContact O-CG2 3.24Å; E57-V60 PolarHBondContact O-N 3.13Å; S58-V60 PolarHBondContact O-N 3Å; V60-D62 VanDerWaalsContact C-N 3.3Å; V60-F63 PolarHBondContact O-N 3.25Å; V60-A64 WeakPolarHBondContact O-CB 3.3Å; V60-A64 PolarHBondContact O-N 3.22Å; V60-M98 HydrophobicContact CB-CE 3.77Å; V60-M98 HydrophobicContact CG1-CE 4.27Å; V60-M98 HydrophobicContact CG2-CE 3.42Å; V60-M98 VanDerWaalsContact CG2-CE 3.42Å; V60-L99 HydrophobicContact CG1-CD2 3.69Å; V60-L99 HydrophobicContact CG2-CD2 4.13Å; V60-K102 HydrophobicContact CB-CB 4.26Å; V60-K102 HydrophobicContact CB-CG 4.44Å; V60-K102 HydrophobicContact CG1-CB 3.61Å; V60-K102 HydrophobicContact CG1-CG 4.2Å; V60-I104 HydrophobicContact CG1-CD1 3.99Å; V60-I104 HydrophobicContact CG1-CG1 3.61Å |
| 61 | S | 87.3 | Confident | 85.6 | Confident | 49 Ų | 49 | 43.7 Ų | 43.7 | 34% | 0.343 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -58.9 | -42.7 | 166.9 | -58.1 | 0 | 0 | 0 | 0 | 111.2 | E57 S58 F63 A64 F65 | E57-S61 PolarHBondContact O-N 2.69Å; S58-S61 CarbonylContact O-C 3.25Å; S58-S61 WeakPolarHBondContact O-CA 3.03Å; S58-S61 VanDerWaalsContact O-CB 3.26Å; S58-S61 WeakPolarHBondContact O-CB 3.21Å; S58-S61 PolarHBondContact O-N 2.9Å; S61-F63 PolarHBondContact O-N 2.79Å; S61-A64 CarbonylContact O-C 3.32Å; S61-A64 WeakPolarHBondContact O-CA 3.32Å; S61-A64 WeakPolarHBondContact O-CB 3.19Å; S61-A64 PolarHBondContact O-N 2.97Å; S61-A64 VanDerWaalsContact O-N 3.09Å; S61-F65 WeakPolarHBondContact O-CB 3.42Å; S61-F65 PolarHBondContact O-N 3.48Å |
| 62 | D | 88.9 | Confident | 85.8 | Confident | 23 Ų | 23 | 38.5 Ų | 38.5 | 12% | 0.123 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.1 | -45.8 | 179.7 | -51.1 | -29.9 | 0 | 0 | 0 | 110.9 | M9 F12 S58 Y59 V60 A64 F65 A66 | M9-D62 HydrophobicContact CE-CB 4.23Å; F12-D62 HydrophobicContact CD1-CB 3.81Å; F12-D62 HydrophobicContact CE1-CB 3.72Å; S58-D62 PolarHBondContact O-N 2.97Å; Y59-D62 WeakPolarHBondContact CA-OD2 3.37Å; V60-D62 VanDerWaalsContact C-N 3.3Å; D62-A64 VanDerWaalsContact C-N 3.33Å; D62-A64 PolarHBondContact O-N 2.77Å; D62-F65 PolarHBondContact O-N 3.05Å; D62-A66 WeakPolarHBondContact O-CB 3.39Å; D62-A66 PolarHBondContact O-N 3.33Å |
| 63 | F | 91.5 | Very high | 86 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66 | -32.8 | 173.9 | -64.7 | -51.1 | 0 | 0 | 0 | 113.1 | M9 F12 I39 I53 Y59 V60 S61 L67 I79 I82 I104 | M9-F63 HydrophobicContact CE-CE1 4.34Å; M9-F63 HydrophobicContact CE-CE2 4.2Å; M9-F63 HydrophobicContact CE-CZ 3.88Å; M9-F63 HydrophobicContact SD-CE1 4.33Å; M9-F63 HydrophobicContact SD-CE2 4.21Å; M9-F63 HydrophobicContact SD-CZ 3.6Å; F12-F63 HydrophobicContact CD1-CE1 4.48Å; F12-F63 AromaticContact CE1-CD1 3.69Å; F12-F63 HydrophobicContact CE1-CD1 3.69Å; F12-F63 AromaticContact CE1-CE1 3.9Å; F12-F63 HydrophobicContact CE1-CE1 3.9Å; F12-F63 AromaticContact CZ-CD1 3.88Å; F12-F63 HydrophobicContact CZ-CD1 3.88Å; F12-F63 HydrophobicContact CZ-CE1 4.18Å; I39-F63 HydrophobicContact CG2-CZ 4.19Å; I53-F63 HydrophobicContact CD1-CE2 4Å; I53-F63 HydrophobicContact CD1-CZ 4.35Å; I53-F63 HydrophobicContact CG2-CE2 4.21Å; Y59-F63 WeakPolarHBondContact O-CD2 3.48Å; Y59-F63 VanDerWaalsContact O-CE2 3.29Å; Y59-F63 WeakPolarHBondContact O-CE2 3.33Å; Y59-F63 PolarHBondContact O-N 3.27Å; V60-F63 PolarHBondContact O-N 3.25Å; S61-F63 PolarHBondContact O-N 2.79Å; F63-L67 WeakPolarHBondContact O-CB 3.43Å; F63-L67 WeakPolarHBondContact O-CG 3.37Å; F63-L67 PolarHBondContact O-N 3.32Å; F63-I79 HydrophobicContact CB-CG2 3.96Å; F63-I79 HydrophobicContact CD1-CG1 4.25Å; F63-I79 HydrophobicContact CD1-CG2 3.9Å; F63-I79 HydrophobicContact CG-CG2 4.18Å; F63-I82 HydrophobicContact CZ-CG2 4.46Å; F63-I104 HydrophobicContact CB-CD1 4.25Å |
| 64 | A | 89.2 | Confident | 86.3 | Confident | 4 Ų | 4 | 44.7 Ų | 44.7 | 3% | 0.033 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -70.9 | -36 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | V60 S61 D62 Q68 K102 I104 A107 | V60-A64 WeakPolarHBondContact O-CB 3.3Å; V60-A64 PolarHBondContact O-N 3.22Å; S61-A64 CarbonylContact O-C 3.32Å; S61-A64 WeakPolarHBondContact O-CA 3.32Å; S61-A64 WeakPolarHBondContact O-CB 3.19Å; S61-A64 PolarHBondContact O-N 2.97Å; S61-A64 VanDerWaalsContact O-N 3.09Å; D62-A64 VanDerWaalsContact C-N 3.33Å; D62-A64 PolarHBondContact O-N 2.77Å; A64-Q68 WeakPolarHBondContact O-CG 3.25Å; A64-Q68 PolarHBondContact O-N 3.19Å; A64-Q68 PolarHBondContact O-NE2 3.42Å; A64-K102 VanDerWaalsContact CB-O 3.24Å; A64-K102 WeakPolarHBondContact CB-O 3.21Å; A64-I104 HydrophobicContact CB-CD1 3.75Å; A64-I104 HydrophobicContact CB-CG1 4.34Å; A64-A107 HydrophobicContact CB-CB 4.25Å; A64-A107 WeakPolarHBondContact O-CB 3.31Å |
| 65 | F | 88.2 | Confident | 86.6 | Confident | 31 Ų | 31 | 43.3 Ų | 43.3 | 14% | 0.136 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.2 | -53.4 | 174.7 | -176 | -79.8 | 0 | 0 | 0 | 110.4 | C16 E18 A21 S61 D62 L67 Q68 F69 | C16-F65 HydrophobicContact CB-CB 4.36Å; C16-F65 HydrophobicContact CB-CD1 3.56Å; C16-F65 HydrophobicContact CB-CE1 4.11Å; C16-F65 HydrophobicContact CB-CG 4.05Å; C16-F65 WeakPolarHBondContact O-CD1 3.16Å; C16-F65 WeakPolarHBondContact O-CE1 3.28Å; C16-F65 WeakPolarHBondContact O-CE2 3.25Å; C16-F65 WeakPolarHBondContact O-CZ 3.41Å; E18-F65 HydrophobicContact CG-CE2 4.15Å; A21-F65 HydrophobicContact CB-CE1 3.67Å; A21-F65 HydrophobicContact CB-CZ 3.68Å; S61-F65 WeakPolarHBondContact O-CB 3.42Å; S61-F65 PolarHBondContact O-N 3.48Å; D62-F65 PolarHBondContact O-N 3.05Å; F65-L67 VanDerWaalsContact C-N 3.28Å; F65-L67 PolarHBondContact O-N 3.38Å; F65-Q68 WeakPolarHBondContact O-CA 2.99Å; F65-Q68 PolarHBondContact O-N 3.36Å; F65-F69 HydrophobicContact CB-CD2 4.44Å; F65-F69 HydrophobicContact CD1-CB 4.42Å; F65-F69 AromaticContact CD1-CD2 3.91Å; F65-F69 HydrophobicContact CD1-CD2 3.91Å; F65-F69 AromaticContact CD2-CD2 3.44Å; F65-F69 HydrophobicContact CD2-CD2 3.44Å; F65-F69 VanDerWaalsContact CD2-CD2 3.44Å; F65-F69 AromaticContact CD2-CE2 3.59Å; F65-F69 HydrophobicContact CD2-CE2 3.59Å; F65-F69 HydrophobicContact CE1-CB 3.95Å; F65-F69 AromaticContact CE1-CD2 3.87Å; F65-F69 HydrophobicContact CE1-CD2 3.87Å; F65-F69 HydrophobicContact CE1-CG 4.27Å; F65-F69 AromaticContact CE2-CD2 3.41Å; F65-F69 HydrophobicContact CE2-CD2 3.41Å; F65-F69 VanDerWaalsContact CE2-CD2 3.41Å; F65-F69 AromaticContact CE2-CE2 3.65Å; F65-F69 HydrophobicContact CE2-CE2 3.65Å; F65-F69 HydrophobicContact CE2-CG 4.23Å; F65-F69 AromaticContact CG-CD2 3.68Å; F65-F69 HydrophobicContact CG-CD2 3.68Å; F65-F69 HydrophobicContact CG-CE2 4.2Å; F65-F69 HydrophobicContact CZ-CB 4.13Å; F65-F69 AromaticContact CZ-CD2 3.62Å; F65-F69 HydrophobicContact CZ-CD2 3.62Å; F65-F69 HydrophobicContact CZ-CE2 4.31Å; F65-F69 HydrophobicContact CZ-CG 4.06Å; F65-F69 WeakPolarHBondContact O-CD2 3.24Å; F65-F69 PolarHBondContact O-N 2.78Å |
| 66 | A | 87.4 | Confident | 86.9 | Confident | 3 Ų | 3 | 38.2 Ų | 38.2 | 3% | 0.025 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.1 | -37.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | F12 D62 Q68 L70 I79 | F12-A66 HydrophobicContact CE1-CB 4.35Å; F12-A66 HydrophobicContact CE2-CB 4.23Å; F12-A66 HydrophobicContact CZ-CB 3.53Å; D62-A66 WeakPolarHBondContact O-CB 3.39Å; D62-A66 PolarHBondContact O-N 3.33Å; A66-Q68 VanDerWaalsContact C-N 3.3Å; A66-Q68 PolarHBondContact O-N 2.82Å; A66-L70 HydrophobicContact CB-CD1 3.9Å; A66-L70 HydrophobicContact CB-CG 4.5Å; A66-L70 WeakPolarHBondContact O-CB 3.4Å; A66-L70 PolarHBondContact O-N 2.78Å; A66-I79 HydrophobicContact CB-CD1 3.58Å |
| 67 | L | 89.2 | Confident | 87.3 | Confident | 7 Ų | 7 | 37 Ų | 37 | 4% | 0.037 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -74.6 | -12 | 174.1 | -77.8 | 176.1 | 0 | 0 | 0 | 114.9 | F63 F65 R76 I79 V80 L83 A107 L108 A111 | F63-L67 WeakPolarHBondContact O-CB 3.43Å; F63-L67 WeakPolarHBondContact O-CG 3.37Å; F63-L67 PolarHBondContact O-N 3.32Å; F65-L67 VanDerWaalsContact C-N 3.28Å; F65-L67 PolarHBondContact O-N 3.38Å; L67-R76 HydrophobicContact CD2-CG 4.05Å; L67-I79 HydrophobicContact CD1-CG2 3.74Å; L67-I79 HydrophobicContact CD2-CB 4.16Å; L67-I79 HydrophobicContact CD2-CG2 4.2Å; L67-I79 HydrophobicContact CG-CB 4.24Å; L67-I79 HydrophobicContact CG-CG2 3.77Å; L67-V80 HydrophobicContact CD2-CG2 4.21Å; L67-L83 HydrophobicContact CD1-CD1 3.6Å; L67-A107 HydrophobicContact CB-CB 3.76Å; L67-A107 HydrophobicContact CD1-CB 4.46Å; L67-L108 HydrophobicContact CD1-CD2 4.05Å; L67-A111 HydrophobicContact CD2-CB 4.05Å |
| 68 | Q | 85.2 | Confident | 87.8 | Confident | 48 Ų | 48 | 34 Ų | 34 | 22% | 0.224 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -98.7 | -36.2 | 176 | -79.2 | 171.1 | 103.6 | 0 | 0 | 112.9 | A64 F65 A66 A107 Q110 | A64-Q68 WeakPolarHBondContact O-CG 3.25Å; A64-Q68 PolarHBondContact O-N 3.19Å; A64-Q68 PolarHBondContact O-NE2 3.42Å; F65-Q68 WeakPolarHBondContact O-CA 2.99Å; F65-Q68 PolarHBondContact O-N 3.36Å; A66-Q68 VanDerWaalsContact C-N 3.3Å; A66-Q68 PolarHBondContact O-N 2.82Å; Q68-A107 HydrophobicContact CG-CB 3.81Å; Q68-Q110 HydrophobicContact CG-CB 4.38Å |
| 69 | F | 82.6 | Confident | 88 | Confident | 118 Ų | 118 | 31.2 Ų | 31.2 | 52% | 0.518 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -119.6 | -21.3 | -166.2 | -57 | -70.8 | 0 | 0 | 0 | 115.4 | F65 | F65-F69 HydrophobicContact CB-CD2 4.44Å; F65-F69 HydrophobicContact CD1-CB 4.42Å; F65-F69 AromaticContact CD1-CD2 3.91Å; F65-F69 HydrophobicContact CD1-CD2 3.91Å; F65-F69 AromaticContact CD2-CD2 3.44Å; F65-F69 HydrophobicContact CD2-CD2 3.44Å; F65-F69 VanDerWaalsContact CD2-CD2 3.44Å; F65-F69 AromaticContact CD2-CE2 3.59Å; F65-F69 HydrophobicContact CD2-CE2 3.59Å; F65-F69 HydrophobicContact CE1-CB 3.95Å; F65-F69 AromaticContact CE1-CD2 3.87Å; F65-F69 HydrophobicContact CE1-CD2 3.87Å; F65-F69 HydrophobicContact CE1-CG 4.27Å; F65-F69 AromaticContact CE2-CD2 3.41Å; F65-F69 HydrophobicContact CE2-CD2 3.41Å; F65-F69 VanDerWaalsContact CE2-CD2 3.41Å; F65-F69 AromaticContact CE2-CE2 3.65Å; F65-F69 HydrophobicContact CE2-CE2 3.65Å; F65-F69 HydrophobicContact CE2-CG 4.23Å; F65-F69 AromaticContact CG-CD2 3.68Å; F65-F69 HydrophobicContact CG-CD2 3.68Å; F65-F69 HydrophobicContact CG-CE2 4.2Å; F65-F69 HydrophobicContact CZ-CB 4.13Å; F65-F69 AromaticContact CZ-CD2 3.62Å; F65-F69 HydrophobicContact CZ-CD2 3.62Å; F65-F69 HydrophobicContact CZ-CE2 4.31Å; F65-F69 HydrophobicContact CZ-CG 4.06Å; F65-F69 WeakPolarHBondContact O-CD2 3.24Å; F65-F69 PolarHBondContact O-N 2.78Å |
| 70 | L | 80.3 | Confident | 88.1 | Confident | 12 Ų | 12 | 30.4 Ų | 30.4 | 6% | 0.063 | 16% | 0.157 | C | C | . | . | trans | -96.5 | 104.3 | -179.4 | -60.2 | 178.3 | 0 | 0 | 0 | 110.6 | A21 L32 A66 D72 L75 | A21-L70 HydrophobicContact CB-CD2 4.34Å; L32-L70 HydrophobicContact CD1-CD1 4.07Å; A66-L70 HydrophobicContact CB-CD1 3.9Å; A66-L70 HydrophobicContact CB-CG 4.5Å; A66-L70 WeakPolarHBondContact O-CB 3.4Å; A66-L70 PolarHBondContact O-N 2.78Å; L70-D72 PolarHBondContact O-N 2.89Å; L70-L75 HydrophobicContact CB-CD2 4.07Å; L70-L75 HydrophobicContact CD1-CD2 3.63Å | ||
| 71 | N | 80.3 | Confident | 88.3 | Confident | 114 Ų | 114 | 33.8 Ų | 33.8 | 61% | 0.61 | 17% | 0.174 | S | C | * | . | trans | -81.6 | 47.2 | -176.3 | -164.8 | 27.8 | 0 | 0 | 0 | 114.3 | R76 T114 | N71-R76 PolarHBondContact OD1-NH1 2.88Å; N71-T114 WeakPolarHBondContact OD1-CG2 2.9Å | ||
| 72 | D | 86.7 | Confident | 88.4 | Confident | 13 Ų | 13 | 31.5 Ų | 31.5 | 7% | 0.07 | 16% | 0.158 | C | C | . | . | trans | -103.8 | 117.3 | 171.1 | 174.1 | 43 | 0 | 0 | 0 | 111.1 | L29 R33 L70 V74 L75 R76 | L29-D72 HydrophobicContact CD2-CB 4.18Å; R33-D72 WeakPolarHBondContact CG-OD2 3.11Å; R33-D72 IonicContact CZ-OD1 3.69Å; R33-D72 IonicContact CZ-OD2 2.93Å; R33-D72 VanDerWaalsContact NE-CG 3.28Å; R33-D72 IonicContact NE-OD1 3.63Å; R33-D72 PolarHBondContact NE-OD1 3.22Å; R33-D72 IonicContact NE-OD2 2.71Å; R33-D72 PolarHBondContact NE-OD2 3.13Å; R33-D72 IonicContact NH2-OD1 2.81Å; R33-D72 PolarHBondContact NH2-OD1 3.49Å; R33-D72 IonicContact NH2-OD2 3.37Å; L70-D72 PolarHBondContact O-N 2.89Å; D72-V74 PolarHBondContact O-N 2.99Å; D72-V74 PolarHBondContact OD1-N 3.05Å; D72-V74 WeakPolarHBondContact OD2-CB 3.42Å; D72-L75 HydrophobicContact CB-CB 3.92Å; D72-L75 PolarHBondContact O-N 3.05Å; D72-L75 VanDerWaalsContact OD2-CB 3.24Å; D72-L75 WeakPolarHBondContact OD2-CB 3.33Å; D72-L75 PolarHBondContact OD2-N 2.88Å; D72-R76 WeakPolarHBondContact O-CB 2.92Å; D72-R76 PolarHBondContact O-N 3.11Å | ||
| 73 | R | 89.8 | Confident | 88.5 | Confident | 61 Ų | 61 | 30.4 Ų | 30.4 | 23% | 0.23 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.8 | -34.9 | 178.3 | -167.9 | -173.4 | -71.5 | -145.3 | 32.3 | 112.2 | T77 E115 E118 T120 | R73-T77 WeakPolarHBondContact O-CB 3.43Å; R73-T77 PolarHBondContact O-N 3.44Å; R73-T77 PolarHBondContact O-OG1 2.96Å; R73-E115 WeakPolarHBondContact CG-OE2 3.09Å; R73-E115 IonicContact CZ-OE1 2.69Å; R73-E115 IonicContact NE-OE1 3.42Å; R73-E115 IonicContact NH1-OE1 3.3Å; R73-E115 PolarHBondContact NH1-OE1 2.79Å; R73-E118 IonicContact CZ-OE2 2.62Å; R73-E118 IonicContact NE-OE1 3.15Å; R73-E118 IonicContact NE-OE2 2.59Å; R73-E118 PolarHBondContact NE-OE2 2.65Å; R73-E118 IonicContact NH2-OE2 2.97Å; R73-E118 PolarHBondContact NH2-OE2 3.31Å; R73-T120 PolarHBondContact NH1-O 2.88Å; R73-T120 PolarHBondContact NH2-O 3.49Å; R73-T120 PolarHBondContact NH2-OG1 3.23Å; R73-T120 VanDerWaalsContact NH2-OG1 3.17Å |
| 74 | V | 90.3 | Very high | 88.3 | Confident | 73 Ų | 73 | 33.2 Ų | 33.2 | 44% | 0.442 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -70.2 | -50.4 | 179.6 | 178.9 | 0 | 0 | 0 | 0 | 110.8 | R33 D72 T77 Q78 | R33-V74 HydrophobicContact CG-CB 4.34Å; R33-V74 HydrophobicContact CG-CG1 4.1Å; D72-V74 PolarHBondContact O-N 2.99Å; D72-V74 PolarHBondContact OD1-N 3.05Å; D72-V74 WeakPolarHBondContact OD2-CB 3.42Å; V74-T77 WeakPolarHBondContact O-CB 3.33Å; V74-T77 PolarHBondContact O-N 2.95Å; V74-Q78 WeakPolarHBondContact O-CG 3.26Å; V74-Q78 PolarHBondContact O-N 3.26Å |
| 75 | L | 89.6 | Confident | 88.1 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.2 | -47.9 | 175.9 | -160 | 73.9 | 0 | 0 | 0 | 111.2 | L32 V36 L70 D72 T77 Q78 I79 | L32-L75 HydrophobicContact CB-CD1 3.97Å; L32-L75 HydrophobicContact CB-CD2 4.45Å; V36-L75 HydrophobicContact CB-CD1 3.98Å; V36-L75 HydrophobicContact CG2-CD1 3.53Å; V36-L75 HydrophobicContact CG2-CG 4.5Å; L70-L75 HydrophobicContact CB-CD2 4.07Å; L70-L75 HydrophobicContact CD1-CD2 3.63Å; D72-L75 HydrophobicContact CB-CB 3.92Å; D72-L75 PolarHBondContact O-N 3.05Å; D72-L75 VanDerWaalsContact OD2-CB 3.24Å; D72-L75 WeakPolarHBondContact OD2-CB 3.33Å; D72-L75 PolarHBondContact OD2-N 2.88Å; L75-T77 VanDerWaalsContact C-N 3.34Å; L75-T77 PolarHBondContact O-N 3.42Å; L75-Q78 PolarHBondContact O-N 3.36Å; L75-Q78 VanDerWaalsContact O-N 3.11Å; L75-I79 HydrophobicContact CD2-CD1 4.44Å; L75-I79 HydrophobicContact CG-CD1 3.99Å; L75-I79 WeakPolarHBondContact O-CG1 3.19Å; L75-I79 PolarHBondContact O-N 2.96Å |
| 76 | R | 90.8 | Very high | 87.9 | Confident | 9 Ų | 9 | 35 Ų | 35 | 3% | 0.034 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -54.3 | -47.6 | 175.2 | -176.2 | 165.4 | 65.9 | -130.8 | 5 | 111.4 | L67 N71 D72 V80 A111 E115 E118 | L67-R76 HydrophobicContact CD2-CG 4.05Å; N71-R76 PolarHBondContact OD1-NH1 2.88Å; D72-R76 WeakPolarHBondContact O-CB 2.92Å; D72-R76 PolarHBondContact O-N 3.11Å; R76-V80 VanDerWaalsContact O-CG2 3.28Å; R76-V80 WeakPolarHBondContact O-CG2 3.2Å; R76-V80 PolarHBondContact O-N 2.98Å; R76-A111 HydrophobicContact CG-CB 4.09Å; R76-E115 IonicContact CZ-OE2 2.65Å; R76-E115 IonicContact NE-OE2 3.43Å; R76-E115 PolarHBondContact NE-OE2 3.03Å; R76-E115 IonicContact NH2-OE2 2.68Å; R76-E115 PolarHBondContact NH2-OE2 2.97Å; R76-E118 IonicContact CZ-OE1 2.57Å; R76-E118 IonicContact NH1-OE1 2.8Å; R76-E118 IonicContact NH2-OE1 3.33Å; R76-E118 PolarHBondContact NH2-OE1 3.29Å |
| 77 | T | 91.4 | Very high | 87.7 | Confident | 39 Ų | 39 | 35 Ų | 35 | 24% | 0.239 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.8 | -48 | 174.5 | -59 | 0 | 0 | 0 | 0 | 112.1 | R73 V74 L75 V80 L81 L125 | R73-T77 WeakPolarHBondContact O-CB 3.43Å; R73-T77 PolarHBondContact O-N 3.44Å; R73-T77 PolarHBondContact O-OG1 2.96Å; V74-T77 WeakPolarHBondContact O-CB 3.33Å; V74-T77 PolarHBondContact O-N 2.95Å; L75-T77 VanDerWaalsContact C-N 3.34Å; L75-T77 PolarHBondContact O-N 3.42Å; T77-V80 PolarHBondContact O-N 3.39Å; T77-L81 HydrophobicContact CG2-CD1 4.1Å; T77-L81 WeakPolarHBondContact O-CG 3.46Å; T77-L81 PolarHBondContact O-N 2.74Å; T77-L125 WeakPolarHBondContact OG1-CD2 3.43Å |
| 78 | Q | 90.8 | Very high | 86.9 | Confident | 31 Ų | 31 | 40.3 Ų | 40.3 | 15% | 0.145 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.8 | -40.1 | -177.8 | -69.4 | -172.4 | 41.1 | 0 | 0 | 112.6 | R33 V36 K37 V74 L75 L81 I82 | R33-Q78 PolarHBondContact O-NE2 3.33Å; R33-Q78 PolarHBondContact O-OE1 3.21Å; V36-Q78 HydrophobicContact CG1-CB 3.64Å; K37-Q78 VanDerWaalsContact CA-OE1 3.27Å; V74-Q78 WeakPolarHBondContact O-CG 3.26Å; V74-Q78 PolarHBondContact O-N 3.26Å; L75-Q78 PolarHBondContact O-N 3.36Å; L75-Q78 VanDerWaalsContact O-N 3.11Å; Q78-L81 PolarHBondContact O-N 3.19Å; Q78-I82 WeakPolarHBondContact O-CG1 3.11Å; Q78-I82 PolarHBondContact O-N 3.42Å |
| 79 | I | 91.6 | Very high | 85.8 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68.1 | -42.3 | 177.6 | -61 | 166.3 | 0 | 0 | 0 | 110.5 | F12 V36 F63 A66 L67 L75 L81 I82 L83 | F12-I79 HydrophobicContact CE2-CD1 4.44Å; F12-I79 HydrophobicContact CZ-CD1 4.02Å; V36-I79 HydrophobicContact CG1-CG1 4Å; F63-I79 HydrophobicContact CB-CG2 3.96Å; F63-I79 HydrophobicContact CD1-CG1 4.25Å; F63-I79 HydrophobicContact CD1-CG2 3.9Å; F63-I79 HydrophobicContact CG-CG2 4.18Å; A66-I79 HydrophobicContact CB-CD1 3.58Å; L67-I79 HydrophobicContact CD1-CG2 3.74Å; L67-I79 HydrophobicContact CD2-CB 4.16Å; L67-I79 HydrophobicContact CD2-CG2 4.2Å; L67-I79 HydrophobicContact CG-CB 4.24Å; L67-I79 HydrophobicContact CG-CG2 3.77Å; L75-I79 HydrophobicContact CD2-CD1 4.44Å; L75-I79 HydrophobicContact CG-CD1 3.99Å; L75-I79 WeakPolarHBondContact O-CG1 3.19Å; L75-I79 PolarHBondContact O-N 2.96Å; I79-L81 VanDerWaalsContact C-N 3.28Å; I79-L81 PolarHBondContact O-N 3.08Å; I79-I82 WeakPolarHBondContact O-CB 3.14Å; I79-I82 PolarHBondContact O-N 3.43Å; I79-I82 VanDerWaalsContact O-N 3.11Å; I79-L83 HydrophobicContact CG2-CD1 4.18Å; I79-L83 HydrophobicContact CG2-CG 4.34Å; I79-L83 WeakPolarHBondContact O-CG 3.28Å; I79-L83 PolarHBondContact O-N 3.09Å |
| 80 | V | 91.8 | Very high | 85 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.1 | -41.2 | 173.3 | 170 | 0 | 0 | 0 | 0 | 111.1 | L67 R76 T77 L83 F84 L108 L125 K128 I129 | L67-V80 HydrophobicContact CD2-CG2 4.21Å; R76-V80 VanDerWaalsContact O-CG2 3.28Å; R76-V80 WeakPolarHBondContact O-CG2 3.2Å; R76-V80 PolarHBondContact O-N 2.98Å; T77-V80 PolarHBondContact O-N 3.39Å; V80-L83 PolarHBondContact O-N 3.3Å; V80-F84 WeakPolarHBondContact O-CB 3.39Å; V80-F84 PolarHBondContact O-N 2.88Å; V80-L108 HydrophobicContact CG2-CD2 4.03Å; V80-L125 HydrophobicContact CB-CD1 4.29Å; V80-L125 HydrophobicContact CG1-CD1 4.11Å; V80-L125 HydrophobicContact CG2-CD1 4.49Å; V80-K128 HydrophobicContact CG1-CB 4.44Å; V80-I129 HydrophobicContact CG1-CG1 4Å; V80-I129 HydrophobicContact CG2-CD1 4.36Å; V80-I129 HydrophobicContact CG2-CG1 3.88Å |
| 81 | L | 90.4 | Very high | 84.6 | Confident | 72 Ų | 72 | 48.1 Ų | 48.1 | 38% | 0.377 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -66.5 | -37.2 | 174.7 | -70.6 | 170.8 | 0 | 0 | 0 | 113 | T77 Q78 I79 F84 K85 | T77-L81 HydrophobicContact CG2-CD1 4.1Å; T77-L81 WeakPolarHBondContact O-CG 3.46Å; T77-L81 PolarHBondContact O-N 2.74Å; Q78-L81 PolarHBondContact O-N 3.19Å; I79-L81 VanDerWaalsContact C-N 3.28Å; I79-L81 PolarHBondContact O-N 3.08Å; L81-F84 PolarHBondContact O-N 3.1Å; L81-K85 WeakPolarHBondContact O-CG 3.36Å; L81-K85 PolarHBondContact O-N 2.74Å; L81-K85 VanDerWaalsContact O-N 3.08Å |
| 82 | I | 89.9 | Confident | 84.4 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.9 | -51.7 | 172.4 | -74.9 | 167 | 0 | 0 | 0 | 110.3 | V36 I39 L43 F63 Q78 I79 F84 K85 L86 | V36-I82 HydrophobicContact CG1-CD1 3.53Å; I39-I82 HydrophobicContact CG2-CD1 4.15Å; L43-I82 HydrophobicContact CD1-CG1 4.44Å; L43-I82 HydrophobicContact CD1-CG2 3.64Å; F63-I82 HydrophobicContact CZ-CG2 4.46Å; Q78-I82 WeakPolarHBondContact O-CG1 3.11Å; Q78-I82 PolarHBondContact O-N 3.42Å; I79-I82 WeakPolarHBondContact O-CB 3.14Å; I79-I82 PolarHBondContact O-N 3.43Å; I79-I82 VanDerWaalsContact O-N 3.11Å; I82-F84 PolarHBondContact O-N 2.68Å; I82-K85 WeakPolarHBondContact O-CA 3.3Å; I82-K85 WeakPolarHBondContact O-CB 3.43Å; I82-K85 PolarHBondContact O-N 2.94Å; I82-L86 HydrophobicContact CG2-CD1 3.98Å; I82-L86 HydrophobicContact CG2-CG 4.41Å; I82-L86 WeakPolarHBondContact O-CG 3.44Å; I82-L86 PolarHBondContact O-N 3.34Å |
| 83 | L | 90.8 | Very high | 84.1 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.3 | -36.6 | 178.8 | -66.1 | 171.8 | 0 | 0 | 0 | 111.5 | L67 I79 V80 K85 L86 V87 L99 I104 L108 L132 | L67-L83 HydrophobicContact CD1-CD1 3.6Å; I79-L83 HydrophobicContact CG2-CD1 4.18Å; I79-L83 HydrophobicContact CG2-CG 4.34Å; I79-L83 WeakPolarHBondContact O-CG 3.28Å; I79-L83 PolarHBondContact O-N 3.09Å; V80-L83 PolarHBondContact O-N 3.3Å; L83-K85 PolarHBondContact O-N 3.02Å; L83-L86 HydrophobicContact CD2-CD1 4.45Å; L83-L86 PolarHBondContact O-N 3.23Å; L83-V87 WeakPolarHBondContact O-CG2 3.38Å; L83-V87 PolarHBondContact O-N 2.74Å; L83-L99 HydrophobicContact CD2-CD2 4.16Å; L83-I104 HydrophobicContact CD1-CD1 4.3Å; L83-I104 HydrophobicContact CD1-CG2 3.88Å; L83-I104 HydrophobicContact CD2-CD1 4.09Å; L83-I104 HydrophobicContact CD2-CG2 4.29Å; L83-L108 HydrophobicContact CD1-CD2 4.09Å; L83-L108 HydrophobicContact CD1-CG 4.46Å; L83-L132 HydrophobicContact CB-CD2 3.58Å; L83-L132 HydrophobicContact CD1-CD2 4.24Å |
| 84 | F | 87.5 | Confident | 83.8 | Confident | 59 Ų | 59 | 52.1 Ų | 52.1 | 26% | 0.259 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67 | -31.4 | 174.4 | -153.6 | -86.8 | 0 | 0 | 0 | 113.7 | V80 L81 I82 Q131 L132 | V80-F84 WeakPolarHBondContact O-CB 3.39Å; V80-F84 PolarHBondContact O-N 2.88Å; L81-F84 PolarHBondContact O-N 3.1Å; I82-F84 PolarHBondContact O-N 2.68Å; F84-Q131 HydrophobicContact CE2-CB 3.86Å; F84-L132 HydrophobicContact CD2-CB 4.33Å; F84-L132 HydrophobicContact CD2-CD1 4.45Å |
| 85 | K | 84.9 | Confident | 83.6 | Confident | 63 Ų | 63 | 51.9 Ų | 51.9 | 27% | 0.274 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -71.1 | -31.8 | 170.8 | -70.4 | 172.6 | -179.8 | -178.7 | 0 | 112.5 | S40 S44 L81 I82 L83 | S40-K85 PolarHBondContact O-NZ 3.36Å; S40-K85 PolarHBondContact OG-NZ 3.23Å; S44-K85 PolarHBondContact OG-NZ 3.4Å; L81-K85 WeakPolarHBondContact O-CG 3.36Å; L81-K85 PolarHBondContact O-N 2.74Å; L81-K85 VanDerWaalsContact O-N 3.08Å; I82-K85 WeakPolarHBondContact O-CA 3.3Å; I82-K85 WeakPolarHBondContact O-CB 3.43Å; I82-K85 PolarHBondContact O-N 2.94Å; L83-K85 PolarHBondContact O-N 3.02Å |
| 86 | L | 85.6 | Confident | 83.4 | Confident | 8 Ų | 8 | 52.7 Ų | 52.7 | 4% | 0.042 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -77.6 | -44.2 | 178.1 | -61.7 | 173.6 | 0 | 0 | 0 | 111.5 | L43 R50 I53 F54 I82 L83 K88 | L43-L86 HydrophobicContact CD2-CD2 4.46Å; R50-L86 HydrophobicContact CB-CD2 4.31Å; R50-L86 HydrophobicContact CG-CD2 3.83Å; I53-L86 HydrophobicContact CG2-CD1 4Å; F54-L86 HydrophobicContact CE2-CB 4.21Å; F54-L86 HydrophobicContact CE2-CD1 4.45Å; F54-L86 HydrophobicContact CE2-CD2 4.02Å; F54-L86 HydrophobicContact CE2-CG 4.44Å; F54-L86 HydrophobicContact CZ-CB 4.08Å; F54-L86 HydrophobicContact CZ-CD1 4.42Å; I82-L86 HydrophobicContact CG2-CD1 3.98Å; I82-L86 HydrophobicContact CG2-CG 4.41Å; I82-L86 WeakPolarHBondContact O-CG 3.44Å; I82-L86 PolarHBondContact O-N 3.34Å; L83-L86 HydrophobicContact CD2-CD1 4.45Å; L83-L86 PolarHBondContact O-N 3.23Å; L86-K88 VanDerWaalsContact C-N 3.32Å; L86-K88 PolarHBondContact O-N 2.92Å; L86-K88 VanDerWaalsContact O-N 3.14Å |
| 87 | V | 82.8 | Confident | 83.2 | Confident | 3 Ų | 3 | 54.6 Ų | 54.6 | 2% | 0.018 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -89 | 63.4 | 178.7 | -167.7 | 0 | 0 | 0 | 0 | 110.9 | L83 I96 L99 L132 R135 L136 | L83-V87 WeakPolarHBondContact O-CG2 3.38Å; L83-V87 PolarHBondContact O-N 2.74Å; V87-I96 HydrophobicContact CG1-CG1 4.34Å; V87-L99 HydrophobicContact CG2-CD1 3.3Å; V87-L132 HydrophobicContact CB-CD1 3.94Å; V87-L132 HydrophobicContact CG1-CD1 4.47Å; V87-L132 HydrophobicContact CG2-CD1 4.05Å; V87-R135 HydrophobicContact CG1-CB 3.72Å; V87-R135 HydrophobicContact CG1-CG 4.45Å; V87-R135 WeakPolarHBondContact O-CD 3.15Å; V87-R135 PolarHBondContact O-NH1 3.19Å; V87-L136 HydrophobicContact CG1-CD2 4.36Å; V87-L136 HydrophobicContact CG2-CD2 4.17Å |
| 88 | K | 72.8 | Confident | 83 | Confident | 120 Ų | 120 | 53.5 Ų | 53.5 | 52% | 0.522 | 28% | 0.276 | S | S | . | . | trans | -67.4 | 162.5 | 166.6 | -75.1 | -165.9 | 176.6 | -170.3 | 0 | 111 | L86 S90 A91 | L86-K88 VanDerWaalsContact C-N 3.32Å; L86-K88 PolarHBondContact O-N 2.92Å; L86-K88 VanDerWaalsContact O-N 3.14Å; K88-S90 PolarHBondContact O-N 2.61Å; K88-A91 VanDerWaalsContact O-CB 3.26Å; K88-A91 WeakPolarHBondContact O-CB 3.24Å; K88-A91 PolarHBondContact O-N 3.34Å | ||
| 89 | K | 61.9 | Low | 83 | Confident | 216 Ų | 216 | 52.1 Ų | 52.1 | 94% | 0.939 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -20.6 | -179.5 | -149.9 | -174.2 | -176.4 | -167.1 | 0 | 114 | ||
| 90 | S | 65.6 | Low | 82.9 | Confident | 110 Ų | 110 | 52.9 Ų | 52.9 | 77% | 0.769 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.6 | 25.8 | 176.7 | 49.2 | 0 | 0 | 0 | 0 | 113 | K88 | K88-S90 PolarHBondContact O-N 2.61Š|
| 91 | A | 70.5 | Confident | 82.7 | Confident | 16 Ų | 16 | 59.4 Ų | 59.4 | 13% | 0.132 | 30% | 0.303 | C | S | . | . | trans | -69.1 | 133 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | K88 I96 | K88-A91 VanDerWaalsContact O-CB 3.26Å; K88-A91 WeakPolarHBondContact O-CB 3.24Å; K88-A91 PolarHBondContact O-N 3.34Å; A91-I96 HydrophobicContact CB-CG1 4.49Å | ||
| 92 | P | 77.4 | Confident | 82.6 | Confident | 58 Ų | 58 | 58.6 Ų | 58.6 | 38% | 0.377 | 30% | 0.297 | S | S | . | . | trans | -56 | 142.4 | 177.5 | -28.6 | 35 | 0 | 0 | 0 | 113.8 | S94 R95 I96 | P92-S94 PolarHBondContact O-N 2.98Å; P92-S94 VanDerWaalsContact O-N 3.1Å; P92-R95 HydrophobicContact CB-CG 4.43Å; P92-R95 WeakPolarHBondContact O-CB 3.44Å; P92-R95 PolarHBondContact O-N 3.08Å; P92-I96 PolarHBondContact O-N 2.87Å | ||
| 93 | Q | 80.5 | Confident | 82.6 | Confident | 131 Ų | 131 | 59.4 Ų | 59.4 | 61% | 0.612 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -47 | -39.5 | 176.1 | -160.2 | 92 | -27.3 | 0 | 0 | 112.7 | I96 T97 M139 | Q93-I96 PolarHBondContact O-N 3.44Å; Q93-T97 WeakPolarHBondContact O-CB 3.45Å; Q93-T97 PolarHBondContact O-N 2.92Å; Q93-T97 PolarHBondContact O-OG1 3.5Å; Q93-M139 HydrophobicContact CG-CE 3.8Å; Q93-M139 HydrophobicContact CG-SD 3.72Å |
| 94 | S | 82.6 | Confident | 82.7 | Confident | 83 Ų | 83 | 59.3 Ų | 59.3 | 58% | 0.58 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -62.5 | -42.3 | 177.6 | 51.3 | 0 | 0 | 0 | 0 | 113.1 | P92 T97 M98 | P92-S94 PolarHBondContact O-N 2.98Å; P92-S94 VanDerWaalsContact O-N 3.1Å; S94-T97 WeakPolarHBondContact O-CB 3.27Å; S94-T97 PolarHBondContact O-N 2.65Å; S94-M98 WeakPolarHBondContact O-CB 3.49Å; S94-M98 PolarHBondContact O-N 3.49Å |
| 95 | R | 85.8 | Confident | 83 | Confident | 67 Ų | 67 | 56.5 Ų | 56.5 | 25% | 0.253 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66.1 | -43.3 | 178.6 | -66.7 | -169.5 | -170.9 | 161.1 | 8.7 | 111.8 | F54 P92 T97 M98 L99 | F54-R95 HydrophobicContact CB-CG 4.38Å; F54-R95 HydrophobicContact CD1-CB 3.77Å; F54-R95 HydrophobicContact CD1-CG 3.73Å; F54-R95 HydrophobicContact CD2-CG 4.08Å; F54-R95 HydrophobicContact CE1-CB 3.54Å; F54-R95 HydrophobicContact CE1-CG 3.95Å; F54-R95 HydrophobicContact CE2-CB 4.43Å; F54-R95 HydrophobicContact CE2-CG 4.27Å; F54-R95 HydrophobicContact CG-CB 4.32Å; F54-R95 HydrophobicContact CG-CG 3.79Å; F54-R95 HydrophobicContact CZ-CB 3.89Å; F54-R95 HydrophobicContact CZ-CG 4.21Å; P92-R95 HydrophobicContact CB-CG 4.43Å; P92-R95 WeakPolarHBondContact O-CB 3.44Å; P92-R95 PolarHBondContact O-N 3.08Å; R95-T97 VanDerWaalsContact C-N 3.32Å; R95-T97 PolarHBondContact O-N 3.5Å; R95-M98 PolarHBondContact O-N 2.92Å; R95-L99 WeakPolarHBondContact O-CG 3.36Å; R95-L99 PolarHBondContact O-N 2.73Å; R95-L99 VanDerWaalsContact O-N 3.13Å |
| 96 | I | 86.1 | Confident | 83.3 | Confident | 19 Ų | 19 | 60.7 Ų | 60.7 | 10% | 0.097 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.7 | -45.3 | 175.1 | -67 | 173.3 | 0 | 0 | 0 | 110 | V87 A91 P92 Q93 M98 L99 I100 L136 M139 | V87-I96 HydrophobicContact CG1-CG1 4.34Å; A91-I96 HydrophobicContact CB-CG1 4.49Å; P92-I96 PolarHBondContact O-N 2.87Å; Q93-I96 PolarHBondContact O-N 3.44Å; I96-M98 PolarHBondContact O-N 3.36Å; I96-L99 PolarHBondContact O-N 3.11Å; I96-I100 HydrophobicContact CG2-CD1 3.75Å; I96-I100 WeakPolarHBondContact O-CD1 3.49Å; I96-I100 VanDerWaalsContact O-CG1 3.29Å; I96-I100 WeakPolarHBondContact O-CG1 3.5Å; I96-I100 PolarHBondContact O-N 3.14Å; I96-L136 HydrophobicContact CG2-CD2 3.98Å; I96-M139 HydrophobicContact CB-SD 4.3Å; I96-M139 HydrophobicContact CG2-CB 3.82Å; I96-M139 HydrophobicContact CG2-CG 3.72Å; I96-M139 HydrophobicContact CG2-SD 3.89Å |
| 97 | T | 87.4 | Confident | 83.6 | Confident | 48 Ų | 48 | 60.3 Ų | 60.3 | 29% | 0.294 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.5 | -43.7 | 176.3 | -55.3 | 0 | 0 | 0 | 0 | 112 | Q93 S94 R95 L99 I100 Q101 | Q93-T97 WeakPolarHBondContact O-CB 3.45Å; Q93-T97 PolarHBondContact O-N 2.92Å; Q93-T97 PolarHBondContact O-OG1 3.5Å; S94-T97 WeakPolarHBondContact O-CB 3.27Å; S94-T97 PolarHBondContact O-N 2.65Å; R95-T97 VanDerWaalsContact C-N 3.32Å; R95-T97 PolarHBondContact O-N 3.5Å; T97-L99 PolarHBondContact O-N 3.22Å; T97-I100 PolarHBondContact O-N 2.71Å; T97-Q101 HydrophobicContact CG2-CG 4.39Å; T97-Q101 WeakPolarHBondContact O-CG 3.48Å; T97-Q101 PolarHBondContact O-N 3.06Å |
| 98 | M | 86.5 | Confident | 84.2 | Confident | 17 Ų | 17 | 60.1 Ų | 60.1 | 8% | 0.084 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.6 | -42.1 | 180 | -157.7 | -162 | 96.7 | 0 | 0 | 112.4 | F54 V60 S94 R95 I96 I100 Q101 K102 | F54-M98 HydrophobicContact CB-SD 4.15Å; F54-M98 HydrophobicContact CD1-CB 4.46Å; F54-M98 HydrophobicContact CD1-CE 3.82Å; F54-M98 HydrophobicContact CD1-SD 3.89Å; V60-M98 HydrophobicContact CB-CE 3.77Å; V60-M98 HydrophobicContact CG1-CE 4.27Å; V60-M98 HydrophobicContact CG2-CE 3.42Å; V60-M98 VanDerWaalsContact CG2-CE 3.42Å; S94-M98 WeakPolarHBondContact O-CB 3.49Å; S94-M98 PolarHBondContact O-N 3.49Å; R95-M98 PolarHBondContact O-N 2.92Å; I96-M98 PolarHBondContact O-N 3.36Å; M98-I100 VanDerWaalsContact C-N 3.31Å; M98-I100 PolarHBondContact O-N 2.71Å; M98-Q101 PolarHBondContact O-N 3.08Å; M98-K102 WeakPolarHBondContact O-CB 3.07Å; M98-K102 WeakPolarHBondContact O-CG 3.25Å; M98-K102 PolarHBondContact O-N 2.77Å |
| 99 | L | 90.4 | Very high | 85.2 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.9 | -43.4 | 173.8 | -62.8 | 171 | 0 | 0 | 0 | 111.3 | F54 V60 L83 V87 R95 I96 T97 K102 G103 I104 L136 | F54-L99 HydrophobicContact CE1-CD1 4.41Å; F54-L99 HydrophobicContact CE1-CD2 3.92Å; F54-L99 HydrophobicContact CE1-CG 3.96Å; F54-L99 HydrophobicContact CZ-CD2 4.28Å; F54-L99 HydrophobicContact CZ-CG 4.46Å; V60-L99 HydrophobicContact CG1-CD2 3.69Å; V60-L99 HydrophobicContact CG2-CD2 4.13Å; L83-L99 HydrophobicContact CD2-CD2 4.16Å; V87-L99 HydrophobicContact CG2-CD1 3.3Å; R95-L99 WeakPolarHBondContact O-CG 3.36Å; R95-L99 PolarHBondContact O-N 2.73Å; R95-L99 VanDerWaalsContact O-N 3.13Å; I96-L99 PolarHBondContact O-N 3.11Å; T97-L99 PolarHBondContact O-N 3.22Å; L99-K102 CarbonylContact O-C 3.58Å; L99-K102 PolarHBondContact O-N 3.31Å; L99-G103 PolarHBondContact O-N 2.94Å; L99-I104 HydrophobicContact CB-CB 4.05Å; L99-I104 HydrophobicContact CB-CG1 4.11Å; L99-I104 HydrophobicContact CB-CG2 4.4Å; L99-I104 HydrophobicContact CD2-CG1 4.05Å; L99-I104 VanDerWaalsContact O-CB 3.26Å; L99-I104 WeakPolarHBondContact O-CB 3.2Å; L99-I104 WeakPolarHBondContact O-CG1 3.22Å; L99-I104 PolarHBondContact O-N 3.18Å; L99-L136 HydrophobicContact CB-CD2 4.45Å; L99-L136 HydrophobicContact CD1-CD2 4.04Å |
| 100 | I | 89.4 | Confident | 86.6 | Confident | 17 Ų | 17 | 47.3 Ų | 47.3 | 9% | 0.087 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68 | -36.9 | -178.9 | -67.1 | 161.9 | 0 | 0 | 0 | 111.8 | I96 T97 M98 L136 M139 D140 R146 | I96-I100 HydrophobicContact CG2-CD1 3.75Å; I96-I100 WeakPolarHBondContact O-CD1 3.49Å; I96-I100 VanDerWaalsContact O-CG1 3.29Å; I96-I100 WeakPolarHBondContact O-CG1 3.5Å; I96-I100 PolarHBondContact O-N 3.14Å; T97-I100 PolarHBondContact O-N 2.71Å; M98-I100 VanDerWaalsContact C-N 3.31Å; M98-I100 PolarHBondContact O-N 2.71Å; I100-L136 HydrophobicContact CD1-CB 4.45Å; I100-L136 WeakPolarHBondContact CD1-O 3.5Å; I100-L136 HydrophobicContact CG1-CB 4.39Å; I100-M139 HydrophobicContact CD1-CB 3.53Å; I100-D140 HydrophobicContact CD1-CB 4.03Å; I100-D140 HydrophobicContact CG1-CB 4.21Å; I100-D140 HydrophobicContact CG2-CB 3.74Å; I100-R146 PolarHBondContact O-NH1 3.5Å |
| 101 | Q | 87.9 | Confident | 87.8 | Confident | 138 Ų | 138 | 42.1 Ų | 42.1 | 65% | 0.645 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -67.3 | -46.6 | 174.5 | -75.6 | 170.5 | -36.4 | 0 | 0 | 111.6 | T97 M98 G103 | T97-Q101 HydrophobicContact CG2-CG 4.39Å; T97-Q101 WeakPolarHBondContact O-CG 3.48Å; T97-Q101 PolarHBondContact O-N 3.06Å; M98-Q101 PolarHBondContact O-N 3.08Å; Q101-G103 PolarHBondContact O-N 3.48Å |
| 102 | K | 89.6 | Confident | 89 | Confident | 56 Ų | 56 | 41.4 Ų | 41.4 | 24% | 0.243 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 23.8 | 177 | -58.4 | -66.8 | 168.7 | 173.7 | 0 | 113.7 | E57 V60 A64 M98 L99 I104 | E57-K102 WeakPolarHBondContact OE1-CE 3.36Å; E57-K102 IonicContact OE1-NZ 3.66Å; E57-K102 PolarHBondContact OE1-NZ 2.85Å; E57-K102 WeakPolarHBondContact OE2-CE 3.44Å; E57-K102 IonicContact OE2-NZ 3.72Å; E57-K102 PolarHBondContact OE2-NZ 2.95Å; V60-K102 HydrophobicContact CB-CB 4.26Å; V60-K102 HydrophobicContact CB-CG 4.44Å; V60-K102 HydrophobicContact CG1-CB 3.61Å; V60-K102 HydrophobicContact CG1-CG 4.2Å; A64-K102 VanDerWaalsContact CB-O 3.24Å; A64-K102 WeakPolarHBondContact CB-O 3.21Å; M98-K102 WeakPolarHBondContact O-CB 3.07Å; M98-K102 WeakPolarHBondContact O-CG 3.25Å; M98-K102 PolarHBondContact O-N 2.77Å; L99-K102 CarbonylContact O-C 3.58Å; L99-K102 PolarHBondContact O-N 3.31Å; K102-I104 VanDerWaalsContact C-N 3.33Å; K102-I104 PolarHBondContact O-N 2.8Å |
| 103 | G | 88.9 | Confident | 89.7 | Confident | 16 Ų | 16 | 43.2 Ų | 43.2 | 17% | 0.165 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | 0.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 117 | L99 Q101 T105 R106 A107 | L99-G103 PolarHBondContact O-N 2.94Å; Q101-G103 PolarHBondContact O-N 3.48Å; G103-T105 PolarHBondContact O-N 3.48Å; G103-T105 VanDerWaalsContact O-N 3.09Å; G103-R106 WeakPolarHBondContact O-CA 3.28Å; G103-R106 WeakPolarHBondContact O-CB 3.43Å; G103-R106 PolarHBondContact O-N 2.96Å; G103-A107 PolarHBondContact O-N 3.34Å |
| 104 | I | 93.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -56.6 | -33.1 | -174.7 | -65 | -74.1 | 0 | 0 | 0 | 112.6 | V60 F63 A64 L83 L99 K102 A107 L108 L136 | V60-I104 HydrophobicContact CG1-CD1 3.99Å; V60-I104 HydrophobicContact CG1-CG1 3.61Å; F63-I104 HydrophobicContact CB-CD1 4.25Å; A64-I104 HydrophobicContact CB-CD1 3.75Å; A64-I104 HydrophobicContact CB-CG1 4.34Å; L83-I104 HydrophobicContact CD1-CD1 4.3Å; L83-I104 HydrophobicContact CD1-CG2 3.88Å; L83-I104 HydrophobicContact CD2-CD1 4.09Å; L83-I104 HydrophobicContact CD2-CG2 4.29Å; L99-I104 HydrophobicContact CB-CB 4.05Å; L99-I104 HydrophobicContact CB-CG1 4.11Å; L99-I104 HydrophobicContact CB-CG2 4.4Å; L99-I104 HydrophobicContact CD2-CG1 4.05Å; L99-I104 VanDerWaalsContact O-CB 3.26Å; L99-I104 WeakPolarHBondContact O-CB 3.2Å; L99-I104 WeakPolarHBondContact O-CG1 3.22Å; L99-I104 PolarHBondContact O-N 3.18Å; K102-I104 VanDerWaalsContact C-N 3.33Å; K102-I104 PolarHBondContact O-N 2.8Å; I104-A107 PolarHBondContact O-N 2.92Å; I104-L108 HydrophobicContact CG2-CD1 3.69Å; I104-L108 HydrophobicContact CG2-CG 4.07Å; I104-L108 WeakPolarHBondContact O-CB 3.34Å; I104-L108 VanDerWaalsContact O-CG 3.27Å; I104-L108 WeakPolarHBondContact O-CG 3.38Å; I104-L108 PolarHBondContact O-N 3.06Å; I104-L136 HydrophobicContact CG2-CD1 4.11Å |
| 105 | T | 92.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.9 | -40.7 | 173.8 | -27.2 | 0 | 0 | 0 | 0 | 112.6 | G103 F109 L133 D140 F143 R146 | G103-T105 PolarHBondContact O-N 3.48Å; G103-T105 VanDerWaalsContact O-N 3.09Å; T105-F109 HydrophobicContact CG2-CD2 4.1Å; T105-F109 HydrophobicContact CG2-CE2 3.72Å; T105-F109 WeakPolarHBondContact O-CD2 3.42Å; T105-F109 PolarHBondContact O-N 3.42Å; T105-F109 VanDerWaalsContact O-N 3.09Å; T105-L133 HydrophobicContact CG2-CD2 3.86Å; T105-D140 WeakPolarHBondContact CB-OD2 3.46Å; T105-D140 VanDerWaalsContact CG2-OD2 3.29Å; T105-D140 WeakPolarHBondContact CG2-OD2 3.33Å; T105-D140 PolarHBondContact OG1-OD2 2.97Å; T105-F143 HydrophobicContact CG2-CD2 3.76Å; T105-F143 HydrophobicContact CG2-CE2 4.1Å; T105-R146 PolarHBondContact OG1-NH1 3.35Å |
| 106 | R | 91.2 | Very high | 90.9 | Very high | 150 Ų | 150 | 35 Ų | 35 | 57% | 0.566 | 16% | 0.162 | S | C | * | . | H | α-helix | trans | -64.1 | -46.3 | 175.4 | -177.9 | -174.9 | -177.5 | 178.3 | 2.2 | 109.6 | G103 L108 F109 Q110 | G103-R106 WeakPolarHBondContact O-CA 3.28Å; G103-R106 WeakPolarHBondContact O-CB 3.43Å; G103-R106 PolarHBondContact O-N 2.96Å; R106-L108 VanDerWaalsContact C-N 3.35Å; R106-L108 PolarHBondContact O-N 3.39Å; R106-F109 PolarHBondContact O-N 3.48Å; R106-Q110 PolarHBondContact O-N 3.07Å |
| 107 | A | 92.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.9 | -38 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | A64 L67 Q68 G103 I104 Q110 A111 | A64-A107 HydrophobicContact CB-CB 4.25Å; A64-A107 WeakPolarHBondContact O-CB 3.31Å; L67-A107 HydrophobicContact CB-CB 3.76Å; L67-A107 HydrophobicContact CD1-CB 4.46Å; Q68-A107 HydrophobicContact CG-CB 3.81Å; G103-A107 PolarHBondContact O-N 3.34Å; I104-A107 PolarHBondContact O-N 2.92Å; A107-Q110 PolarHBondContact O-N 3.14Å; A107-A111 VanDerWaalsContact O-CB 3.3Å; A107-A111 WeakPolarHBondContact O-CB 3.35Å; A107-A111 PolarHBondContact O-N 2.82Å |
| 108 | L | 95.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -71.8 | -31.9 | 175.1 | -73.3 | 171 | 0 | 0 | 0 | 113.5 | L67 V80 L83 I104 R106 L112 I129 L132 L133 L136 | L67-L108 HydrophobicContact CD1-CD2 4.05Å; V80-L108 HydrophobicContact CG2-CD2 4.03Å; L83-L108 HydrophobicContact CD1-CD2 4.09Å; L83-L108 HydrophobicContact CD1-CG 4.46Å; I104-L108 HydrophobicContact CG2-CD1 3.69Å; I104-L108 HydrophobicContact CG2-CG 4.07Å; I104-L108 WeakPolarHBondContact O-CB 3.34Å; I104-L108 VanDerWaalsContact O-CG 3.27Å; I104-L108 WeakPolarHBondContact O-CG 3.38Å; I104-L108 PolarHBondContact O-N 3.06Å; R106-L108 VanDerWaalsContact C-N 3.35Å; R106-L108 PolarHBondContact O-N 3.39Å; L108-L112 WeakPolarHBondContact O-CB 3.49Å; L108-L112 PolarHBondContact O-N 3.02Å; L108-I129 HydrophobicContact CB-CG2 4.36Å; L108-I129 HydrophobicContact CD2-CG2 4.42Å; L108-I129 WeakPolarHBondContact O-CG2 3.25Å; L108-L132 HydrophobicContact CD1-CD2 3.57Å; L108-L132 HydrophobicContact CD1-CG 3.77Å; L108-L132 HydrophobicContact CD2-CD2 3.74Å; L108-L132 HydrophobicContact CG-CD2 4.32Å; L108-L133 HydrophobicContact CB-CD2 3.78Å; L108-L133 HydrophobicContact CB-CG 4.2Å; L108-L133 HydrophobicContact CD1-CD2 4.36Å; L108-L136 HydrophobicContact CD1-CD1 3.64Å |
| 109 | F | 94.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -70.9 | -39.5 | 170.1 | -76.1 | -57.6 | 0 | 0 | 0 | 111.6 | T105 R106 L112 Y113 L133 F143 R146 A147 C152 M241 Y245 | T105-F109 HydrophobicContact CG2-CD2 4.1Å; T105-F109 HydrophobicContact CG2-CE2 3.72Å; T105-F109 WeakPolarHBondContact O-CD2 3.42Å; T105-F109 PolarHBondContact O-N 3.42Å; T105-F109 VanDerWaalsContact O-N 3.09Å; R106-F109 PolarHBondContact O-N 3.48Å; F109-L112 WeakPolarHBondContact O-CB 3.49Å; F109-L112 PolarHBondContact O-N 2.84Å; F109-Y113 PolarHBondContact O-N 2.95Å; F109-L133 HydrophobicContact CD1-CD1 3.77Å; F109-L133 HydrophobicContact CD1-CD2 4.27Å; F109-L133 HydrophobicContact CD2-CD2 4.27Å; F109-L133 HydrophobicContact CE1-CD1 3.68Å; F109-L133 HydrophobicContact CE1-CD2 4.08Å; F109-L133 HydrophobicContact CE1-CG 4.45Å; F109-L133 HydrophobicContact CE2-CD2 4.07Å; F109-L133 HydrophobicContact CG-CD2 4.36Å; F109-L133 HydrophobicContact CZ-CD1 4.35Å; F109-L133 HydrophobicContact CZ-CD2 3.97Å; F109-F143 HydrophobicContact CE1-CZ 4.45Å; F109-F143 AromaticContact CE2-CD2 3.99Å; F109-F143 HydrophobicContact CE2-CD2 3.99Å; F109-F143 HydrophobicContact CE2-CE2 4.04Å; F109-F143 HydrophobicContact CZ-CD1 4.39Å; F109-F143 AromaticContact CZ-CD2 3.89Å; F109-F143 HydrophobicContact CZ-CD2 3.89Å; F109-F143 HydrophobicContact CZ-CE1 4.1Å; F109-F143 AromaticContact CZ-CE2 3.59Å; F109-F143 HydrophobicContact CZ-CE2 3.59Å; F109-F143 HydrophobicContact CZ-CG 4.31Å; F109-F143 AromaticContact CZ-CZ 3.72Å; F109-F143 HydrophobicContact CZ-CZ 3.72Å; F109-R146 HydrophobicContact CD2-CB 3.72Å; F109-R146 HydrophobicContact CE2-CB 3.73Å; F109-A147 HydrophobicContact CD1-CB 4.38Å; F109-A147 HydrophobicContact CE1-CB 3.65Å; F109-A147 HydrophobicContact CE2-CB 4.19Å; F109-A147 HydrophobicContact CZ-CB 3.55Å; F109-C152 HydrophobicContact CD1-CB 3.83Å; F109-C152 HydrophobicContact CE1-CB 4.33Å; F109-C152 PolarHBondContact O-SG 2.93Å; F109-M241 HydrophobicContact CE1-CE 4.42Å; F109-Y245 HydrophobicContact CE1-CE1 4.01Å; F109-Y245 HydrophobicContact CZ-CE1 4.23Å |
| 110 | Q | 91.1 | Very high | 90.9 | Very high | 67 Ų | 67 | 50.9 Ų | 50.9 | 31% | 0.313 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.9 | -51.7 | 172.9 | -167 | 65.7 | 15.7 | 0 | 0 | 110.9 | Q68 R106 A107 L112 Y113 T114 | Q68-Q110 HydrophobicContact CG-CB 4.38Å; R106-Q110 PolarHBondContact O-N 3.07Å; A107-Q110 PolarHBondContact O-N 3.14Å; Q110-L112 PolarHBondContact O-N 3.34Å; Q110-Y113 WeakPolarHBondContact O-CB 3.43Å; Q110-Y113 PolarHBondContact O-N 3.36Å; Q110-T114 PolarHBondContact O-N 2.76Å; Q110-T114 PolarHBondContact O-OG1 3.08Å; Q110-T114 VanDerWaalsContact O-OG1 3.06Å |
| 111 | A | 91.7 | Very high | 90.8 | Very high | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.008 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.6 | -27.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | L67 R76 A107 E115 I129 | L67-A111 HydrophobicContact CD2-CB 4.05Å; R76-A111 HydrophobicContact CG-CB 4.09Å; A107-A111 VanDerWaalsContact O-CB 3.3Å; A107-A111 WeakPolarHBondContact O-CB 3.35Å; A107-A111 PolarHBondContact O-N 2.82Å; A111-E115 WeakPolarHBondContact O-CB 3.27Å; A111-E115 PolarHBondContact O-N 3.21Å; A111-I129 HydrophobicContact CB-CD1 4.49Å |
| 112 | L | 93.8 | Very high | 91 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -72.9 | -40 | 173.3 | -172.9 | 70.2 | 0 | 0 | 0 | 112.1 | L108 F109 Q110 Y116 L126 I129 H130 L133 C152 I155 | L108-L112 WeakPolarHBondContact O-CB 3.49Å; L108-L112 PolarHBondContact O-N 3.02Å; F109-L112 WeakPolarHBondContact O-CB 3.49Å; F109-L112 PolarHBondContact O-N 2.84Å; Q110-L112 PolarHBondContact O-N 3.34Å; L112-Y116 WeakPolarHBondContact O-CB 3.43Å; L112-Y116 PolarHBondContact O-N 3.01Å; L112-L126 HydrophobicContact CD1-CB 4.19Å; L112-L126 HydrophobicContact CD1-CD2 3.59Å; L112-L126 HydrophobicContact CG-CD2 4.41Å; L112-I129 HydrophobicContact CB-CG2 3.9Å; L112-I129 HydrophobicContact CD1-CB 3.97Å; L112-I129 HydrophobicContact CD1-CD1 4.44Å; L112-I129 HydrophobicContact CD1-CG2 3.92Å; L112-I129 HydrophobicContact CG-CG2 4.41Å; L112-H130 VanDerWaalsContact CD1-CE1 3.48Å; L112-H130 WeakPolarHBondContact CD1-CE1 2.94Å; L112-H130 WeakPolarHBondContact CD1-ND1 3.49Å; L112-L133 HydrophobicContact CD2-CD1 4.3Å; L112-C152 HydrophobicContact CD2-CB 4.05Å; L112-I155 HydrophobicContact CG-CD1 4.3Å; L112-I155 HydrophobicContact CG-CG2 4.48Å |
| 113 | Y | 92.8 | Very high | 91 | Very high | 96 Ų | 96 | 49.3 Ų | 49.3 | 38% | 0.376 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -66.1 | -51.2 | 174.6 | -178.5 | -96.7 | 0 | 0 | 0 | 110.6 | F109 Q110 E115 Y116 S117 H151 I155 | F109-Y113 PolarHBondContact O-N 2.95Å; Q110-Y113 WeakPolarHBondContact O-CB 3.43Å; Q110-Y113 PolarHBondContact O-N 3.36Å; Y113-E115 PolarHBondContact O-N 2.98Å; Y113-Y116 CarbonylContact O-C 3.53Å; Y113-Y116 WeakPolarHBondContact O-CA 3.14Å; Y113-Y116 WeakPolarHBondContact O-CB 3.35Å; Y113-Y116 PolarHBondContact O-N 3.11Å; Y113-S117 PolarHBondContact O-N 3.38Å; Y113-S117 PolarHBondContact O-OG 2.76Å; Y113-H151 HydrophobicContact CD2-CB 4.07Å; Y113-H151 HydrophobicContact CE2-CB 3.99Å; Y113-I155 HydrophobicContact CD2-CD1 4.41Å |
| 114 | T | 90.7 | Very high | 91.1 | Very high | 34 Ų | 34 | 52.7 Ų | 52.7 | 21% | 0.209 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.3 | -44.4 | 179.9 | -47.6 | 0 | 0 | 0 | 0 | 112.5 | N71 Q110 Y116 S117 E118 | N71-T114 WeakPolarHBondContact OD1-CG2 2.9Å; Q110-T114 PolarHBondContact O-N 2.76Å; Q110-T114 PolarHBondContact O-OG1 3.08Å; Q110-T114 VanDerWaalsContact O-OG1 3.06Å; T114-Y116 PolarHBondContact O-N 2.96Å; T114-S117 PolarHBondContact O-N 3.48Å; T114-E118 PolarHBondContact O-N 2.87Å |
| 115 | E | 92.5 | Very high | 91 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.8 | -22.2 | 176.5 | -173.1 | 63.8 | -149.7 | 0 | 0 | 113.5 | R73 R76 A111 Y113 P121 N122 L125 L126 | R73-E115 WeakPolarHBondContact CG-OE2 3.09Å; R73-E115 IonicContact CZ-OE1 2.69Å; R73-E115 IonicContact NE-OE1 3.42Å; R73-E115 IonicContact NH1-OE1 3.3Å; R73-E115 PolarHBondContact NH1-OE1 2.79Å; R76-E115 IonicContact CZ-OE2 2.65Å; R76-E115 IonicContact NE-OE2 3.43Å; R76-E115 PolarHBondContact NE-OE2 3.03Å; R76-E115 IonicContact NH2-OE2 2.68Å; R76-E115 PolarHBondContact NH2-OE2 2.97Å; A111-E115 WeakPolarHBondContact O-CB 3.27Å; A111-E115 PolarHBondContact O-N 3.21Å; Y113-E115 PolarHBondContact O-N 2.98Å; E115-P121 WeakPolarHBondContact O-CA 3.26Å; E115-P121 WeakPolarHBondContact O-CB 3.38Å; E115-N122 WeakPolarHBondContact OE1-CB 3.41Å; E115-N122 PolarHBondContact OE1-N 2.89Å; E115-L125 HydrophobicContact CG-CB 4.42Å; E115-L125 HydrophobicContact CG-CD2 4.01Å; E115-L125 HydrophobicContact CG-CG 4.25Å; E115-L125 WeakPolarHBondContact OE2-CD2 3.27Å; E115-L126 HydrophobicContact CB-CD2 3.79Å; E115-L126 HydrophobicContact CG-CD2 3.78Å; E115-L126 HydrophobicContact CG-CG 4.17Å |
| 116 | Y | 92.3 | Very high | 91.1 | Very high | 76 Ų | 76 | 53 Ų | 53 | 30% | 0.298 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -86.2 | -23.9 | 174.8 | -178.9 | -93.8 | 0 | 0 | 0 | 112.8 | L112 Y113 T114 L126 I155 H158 | L112-Y116 WeakPolarHBondContact O-CB 3.43Å; L112-Y116 PolarHBondContact O-N 3.01Å; Y113-Y116 CarbonylContact O-C 3.53Å; Y113-Y116 WeakPolarHBondContact O-CA 3.14Å; Y113-Y116 WeakPolarHBondContact O-CB 3.35Å; Y113-Y116 PolarHBondContact O-N 3.11Å; T114-Y116 PolarHBondContact O-N 2.96Å; Y116-L126 HydrophobicContact CD2-CD1 4.25Å; Y116-I155 HydrophobicContact CD1-CD1 4.1Å; Y116-I155 HydrophobicContact CD1-CG1 3.8Å; Y116-I155 HydrophobicContact CD2-CB 4.32Å; Y116-I155 HydrophobicContact CD2-CG1 4.12Å; Y116-I155 HydrophobicContact CD2-CG2 3.65Å; Y116-I155 HydrophobicContact CE1-CG1 4.25Å; Y116-I155 HydrophobicContact CE2-CG2 4.23Å; Y116-I155 HydrophobicContact CG-CB 4.4Å; Y116-I155 HydrophobicContact CG-CD1 3.9Å; Y116-I155 HydrophobicContact CG-CG1 3.73Å; Y116-I155 HydrophobicContact CG-CG2 3.97Å; Y116-H158 HydrophobicContact CE2-CB 4.46Å |
| 117 | S | 90.3 | Very high | 91.2 | Very high | 71 Ų | 71 | 46 Ų | 46 | 50% | 0.497 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -84.4 | -7.2 | 177.5 | -65.2 | 0 | 0 | 0 | 0 | 114.4 | Y113 T114 | Y113-S117 PolarHBondContact O-N 3.38Å; Y113-S117 PolarHBondContact O-OG 2.76Å; T114-S117 PolarHBondContact O-N 3.48Å |
| 118 | E | 88.5 | Confident | 91.2 | Very high | 51 Ų | 51 | 48.4 Ų | 48.4 | 24% | 0.238 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -77.7 | 150 | 170.9 | -65.5 | -164.4 | -157.4 | 0 | 0 | 111.4 | R73 R76 T114 T120 P121 | R73-E118 IonicContact CZ-OE2 2.62Å; R73-E118 IonicContact NE-OE1 3.15Å; R73-E118 IonicContact NE-OE2 2.59Å; R73-E118 PolarHBondContact NE-OE2 2.65Å; R73-E118 IonicContact NH2-OE2 2.97Å; R73-E118 PolarHBondContact NH2-OE2 3.31Å; R76-E118 IonicContact CZ-OE1 2.57Å; R76-E118 IonicContact NH1-OE1 2.8Å; R76-E118 IonicContact NH2-OE1 3.33Å; R76-E118 PolarHBondContact NH2-OE1 3.29Å; T114-E118 PolarHBondContact O-N 2.87Å; E118-T120 PolarHBondContact O-N 2.97Å; E118-P121 WeakPolarHBondContact O-CD 3.41Å; E118-P121 VanDerWaalsContact O-CG 3.28Å; E118-P121 WeakPolarHBondContact O-CG 3.47Å |
| 119 | E | 83.6 | Confident | 91.1 | Very high | 198 Ų | 198 | 48.4 Ų | 48.4 | 93% | 0.925 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -54.2 | -29.1 | -177.2 | -58.2 | 179.7 | 156.7 | 0 | 0 | 114 | ||
| 120 | T | 87.3 | Confident | 91.1 | Very high | 98 Ų | 98 | 48.4 Ų | 48.4 | 60% | 0.601 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -126.6 | 73.6 | -178 | 49.9 | 0 | 0 | 0 | 0 | 111.3 | R73 E118 N122 | R73-T120 PolarHBondContact NH1-O 2.88Å; R73-T120 PolarHBondContact NH2-O 3.49Å; R73-T120 PolarHBondContact NH2-OG1 3.23Å; R73-T120 VanDerWaalsContact NH2-OG1 3.17Å; E118-T120 PolarHBondContact O-N 2.97Å; T120-N122 PolarHBondContact O-N 3.32Å |
| 121 | P | 87.8 | Confident | 91.2 | Very high | 47 Ų | 47 | 47 Ų | 47 | 31% | 0.305 | 24% | 0.241 | S | C | . | . | trans | -61 | 124.1 | -174.7 | -25.9 | 36.5 | 0 | 0 | 0 | 112.8 | E115 E118 V123 L126 | E115-P121 WeakPolarHBondContact O-CA 3.26Å; E115-P121 WeakPolarHBondContact O-CB 3.38Å; E118-P121 WeakPolarHBondContact O-CD 3.41Å; E118-P121 VanDerWaalsContact O-CG 3.28Å; E118-P121 WeakPolarHBondContact O-CG 3.47Å; P121-V123 PolarHBondContact O-N 3.41Å; P121-L126 HydrophobicContact CB-CD1 4.07Å | ||
| 122 | N | 91 | Very high | 91.3 | Very high | 66 Ų | 66 | 47 Ų | 47 | 35% | 0.353 | 24% | 0.24 | S | C | . | . | trans | -75.2 | 94.7 | 177.6 | -172.7 | -40.4 | 0 | 0 | 0 | 110.3 | E115 T120 E124 L125 L126 | E115-N122 WeakPolarHBondContact OE1-CB 3.41Å; E115-N122 PolarHBondContact OE1-N 2.89Å; T120-N122 PolarHBondContact O-N 3.32Å; N122-E124 PolarHBondContact O-N 3.32Å; N122-E124 VanDerWaalsContact O-N 3.1Å; N122-E124 WeakPolarHBondContact OD1-CA 3.25Å; N122-E124 WeakPolarHBondContact OD1-CB 3.34Å; N122-E124 PolarHBondContact OD1-N 3.47Å; N122-L125 HydrophobicContact CB-CB 3.91Å; N122-L125 WeakPolarHBondContact O-CA 3.23Å; N122-L125 WeakPolarHBondContact O-CB 3.49Å; N122-L125 PolarHBondContact O-N 2.91Å; N122-L125 PolarHBondContact OD1-N 2.99Å; N122-L126 WeakPolarHBondContact O-CG 3.22Å; N122-L126 PolarHBondContact O-N 3.05Å | ||
| 123 | V | 90.6 | Very high | 91.2 | Very high | 64 Ų | 64 | 47 Ų | 47 | 39% | 0.388 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -54.1 | -31.6 | -179.7 | -179.6 | 0 | 0 | 0 | 0 | 112.6 | P121 L127 L159 | P121-V123 PolarHBondContact O-N 3.41Å; V123-L127 HydrophobicContact CG1-CD1 4.15Å; V123-L127 WeakPolarHBondContact O-CB 3.36Å; V123-L127 VanDerWaalsContact O-CG 3.26Å; V123-L127 WeakPolarHBondContact O-CG 3.47Å; V123-L127 PolarHBondContact O-N 3.17Å; V123-L159 HydrophobicContact CG1-CD2 4.02Å |
| 124 | E | 90.1 | Very high | 91.2 | Very high | 88 Ų | 88 | 43.8 Ų | 43.8 | 41% | 0.411 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -73.6 | -37.1 | 176.9 | -146.8 | -132.3 | 154.7 | 0 | 0 | 112.1 | N122 L127 K128 | N122-E124 PolarHBondContact O-N 3.32Å; N122-E124 VanDerWaalsContact O-N 3.1Å; N122-E124 WeakPolarHBondContact OD1-CA 3.25Å; N122-E124 WeakPolarHBondContact OD1-CB 3.34Å; N122-E124 PolarHBondContact OD1-N 3.47Å; E124-L127 PolarHBondContact O-N 2.88Å; E124-K128 VanDerWaalsContact CD-CE 3.44Å; E124-K128 WeakPolarHBondContact O-CB 3.25Å; E124-K128 WeakPolarHBondContact O-CD 3.45Å; E124-K128 VanDerWaalsContact O-CG 3.26Å; E124-K128 WeakPolarHBondContact O-CG 3.32Å; E124-K128 PolarHBondContact O-N 3.28Å; E124-K128 WeakPolarHBondContact OE1-CE 3.28Å; E124-K128 IonicContact OE1-NZ 2.85Å; E124-K128 PolarHBondContact OE1-NZ 2.96Å; E124-K128 IonicContact OE2-NZ 3.73Å; E124-K128 PolarHBondContact OE2-NZ 3.49Å |
| 125 | L | 91.9 | Very high | 91.2 | Very high | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.016 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -68.7 | -44.4 | 172.3 | -177.6 | 55 | 0 | 0 | 0 | 111.5 | T77 V80 E115 N122 L127 K128 I129 | T77-L125 WeakPolarHBondContact OG1-CD2 3.43Å; V80-L125 HydrophobicContact CB-CD1 4.29Å; V80-L125 HydrophobicContact CG1-CD1 4.11Å; V80-L125 HydrophobicContact CG2-CD1 4.49Å; E115-L125 HydrophobicContact CG-CB 4.42Å; E115-L125 HydrophobicContact CG-CD2 4.01Å; E115-L125 HydrophobicContact CG-CG 4.25Å; E115-L125 WeakPolarHBondContact OE2-CD2 3.27Å; N122-L125 HydrophobicContact CB-CB 3.91Å; N122-L125 WeakPolarHBondContact O-CA 3.23Å; N122-L125 WeakPolarHBondContact O-CB 3.49Å; N122-L125 PolarHBondContact O-N 2.91Å; N122-L125 PolarHBondContact OD1-N 2.99Å; L125-L127 VanDerWaalsContact C-N 3.27Å; L125-L127 PolarHBondContact O-N 2.9Å; L125-K128 WeakPolarHBondContact O-CB 3.42Å; L125-K128 PolarHBondContact O-N 3.26Å; L125-I129 HydrophobicContact CD1-CD1 4.19Å; L125-I129 HydrophobicContact CD1-CG1 4.22Å; L125-I129 HydrophobicContact CG-CD1 4.03Å; L125-I129 WeakPolarHBondContact O-CG1 3.33Å; L125-I129 PolarHBondContact O-N 3.48Å |
| 126 | L | 94 | Very high | 91.1 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -53.6 | -46.4 | 171.8 | -65.4 | 178.4 | 0 | 0 | 0 | 110.5 | L112 E115 Y116 P121 N122 I129 H130 L159 | L112-L126 HydrophobicContact CD1-CB 4.19Å; L112-L126 HydrophobicContact CD1-CD2 3.59Å; L112-L126 HydrophobicContact CG-CD2 4.41Å; E115-L126 HydrophobicContact CB-CD2 3.79Å; E115-L126 HydrophobicContact CG-CD2 3.78Å; E115-L126 HydrophobicContact CG-CG 4.17Å; Y116-L126 HydrophobicContact CD2-CD1 4.25Å; P121-L126 HydrophobicContact CB-CD1 4.07Å; N122-L126 WeakPolarHBondContact O-CG 3.22Å; N122-L126 PolarHBondContact O-N 3.05Å; L126-I129 PolarHBondContact O-N 3.05Å; L126-H130 PolarHBondContact O-N 2.73Å; L126-H130 PolarHBondContact O-ND1 2.91Å; L126-L159 HydrophobicContact CB-CD1 4.36Å |
| 127 | L | 93.2 | Very high | 90.8 | Very high | 4 Ų | 4 | 42.5 Ų | 42.5 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.7 | -31.5 | 176.3 | -74.1 | 169.4 | 0 | 0 | 0 | 113.6 | V123 E124 L125 Q131 N234 I237 I238 | V123-L127 HydrophobicContact CG1-CD1 4.15Å; V123-L127 WeakPolarHBondContact O-CB 3.36Å; V123-L127 VanDerWaalsContact O-CG 3.26Å; V123-L127 WeakPolarHBondContact O-CG 3.47Å; V123-L127 PolarHBondContact O-N 3.17Å; E124-L127 PolarHBondContact O-N 2.88Å; L125-L127 VanDerWaalsContact C-N 3.27Å; L125-L127 PolarHBondContact O-N 2.9Å; L127-Q131 WeakPolarHBondContact O-CB 3.31Å; L127-Q131 VanDerWaalsContact O-CG 3.27Å; L127-Q131 WeakPolarHBondContact O-CG 3.49Å; L127-Q131 PolarHBondContact O-N 2.94Å; L127-Q131 PolarHBondContact O-NE2 3.22Å; L127-N234 HydrophobicContact CD1-CB 4.37Å; L127-I237 HydrophobicContact CD2-CG2 4.47Å; L127-I238 HydrophobicContact CD2-CD1 4.41Å; L127-I238 HydrophobicContact CD2-CG1 4.31Å |
| 128 | K | 92 | Very high | 90.7 | Very high | 51 Ų | 51 | 42.3 Ų | 42.3 | 22% | 0.222 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.4 | -40.5 | 172.2 | -78.5 | 161 | 173.8 | 162.1 | 0 | 111.5 | V80 E124 L125 Q131 L132 | V80-K128 HydrophobicContact CG1-CB 4.44Å; E124-K128 VanDerWaalsContact CD-CE 3.44Å; E124-K128 WeakPolarHBondContact O-CB 3.25Å; E124-K128 WeakPolarHBondContact O-CD 3.45Å; E124-K128 VanDerWaalsContact O-CG 3.26Å; E124-K128 WeakPolarHBondContact O-CG 3.32Å; E124-K128 PolarHBondContact O-N 3.28Å; E124-K128 WeakPolarHBondContact OE1-CE 3.28Å; E124-K128 IonicContact OE1-NZ 2.85Å; E124-K128 PolarHBondContact OE1-NZ 2.96Å; E124-K128 IonicContact OE2-NZ 3.73Å; E124-K128 PolarHBondContact OE2-NZ 3.49Å; L125-K128 WeakPolarHBondContact O-CB 3.42Å; L125-K128 PolarHBondContact O-N 3.26Å; K128-Q131 WeakPolarHBondContact O-CB 3.49Å; K128-Q131 PolarHBondContact O-N 2.98Å; K128-L132 PolarHBondContact O-N 2.88Å |
| 129 | I | 94 | Very high | 90.6 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.4 | -46.9 | 175.2 | -63.8 | 164.9 | 0 | 0 | 0 | 110.2 | V80 L108 A111 L112 L125 L126 Q131 L132 L133 | V80-I129 HydrophobicContact CG1-CG1 4Å; V80-I129 HydrophobicContact CG2-CD1 4.36Å; V80-I129 HydrophobicContact CG2-CG1 3.88Å; L108-I129 HydrophobicContact CB-CG2 4.36Å; L108-I129 HydrophobicContact CD2-CG2 4.42Å; L108-I129 WeakPolarHBondContact O-CG2 3.25Å; A111-I129 HydrophobicContact CB-CD1 4.49Å; L112-I129 HydrophobicContact CB-CG2 3.9Å; L112-I129 HydrophobicContact CD1-CB 3.97Å; L112-I129 HydrophobicContact CD1-CD1 4.44Å; L112-I129 HydrophobicContact CD1-CG2 3.92Å; L112-I129 HydrophobicContact CG-CG2 4.41Å; L125-I129 HydrophobicContact CD1-CD1 4.19Å; L125-I129 HydrophobicContact CD1-CG1 4.22Å; L125-I129 HydrophobicContact CG-CD1 4.03Å; L125-I129 WeakPolarHBondContact O-CG1 3.33Å; L125-I129 PolarHBondContact O-N 3.48Å; L126-I129 PolarHBondContact O-N 3.05Å; I129-Q131 VanDerWaalsContact C-N 3.31Å; I129-Q131 PolarHBondContact O-N 3.48Å; I129-L132 PolarHBondContact O-N 3.32Å; I129-L132 VanDerWaalsContact O-N 3.11Å; I129-L133 HydrophobicContact CG2-CD1 3.8Å; I129-L133 HydrophobicContact CG2-CG 4.31Å; I129-L133 WeakPolarHBondContact O-CB 3.35Å; I129-L133 WeakPolarHBondContact O-CG 3.42Å; I129-L133 PolarHBondContact O-N 3.48Å |
| 130 | H | 94.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.9 | -38.9 | 172.5 | -75.5 | 81 | 0 | 0 | 0 | 112.2 | L112 L126 L132 C134 T156 L159 I237 M241 | L112-H130 VanDerWaalsContact CD1-CE1 3.48Å; L112-H130 WeakPolarHBondContact CD1-CE1 2.94Å; L112-H130 WeakPolarHBondContact CD1-ND1 3.49Å; L126-H130 PolarHBondContact O-N 2.73Å; L126-H130 PolarHBondContact O-ND1 2.91Å; H130-L132 PolarHBondContact O-N 2.89Å; H130-C134 WeakPolarHBondContact O-CB 3.35Å; H130-C134 PolarHBondContact O-N 3.42Å; H130-T156 PolarHBondContact NE2-OG1 2.9Å; H130-L159 VanDerWaalsContact CE1-CD1 3.41Å; H130-L159 WeakPolarHBondContact CE1-CD1 3.32Å; H130-I237 HydrophobicContact CB-CG2 3.76Å; H130-M241 HydrophobicContact CB-CG 4.08Å |
| 131 | Q | 92.9 | Very high | 90.6 | Very high | 38 Ų | 38 | 35.7 Ų | 35.7 | 18% | 0.178 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.3 | -36.9 | 174.5 | -80.2 | 172.3 | 62.1 | 0 | 0 | 113.6 | F84 L127 K128 I129 C134 I237 | F84-Q131 HydrophobicContact CE2-CB 3.86Å; L127-Q131 WeakPolarHBondContact O-CB 3.31Å; L127-Q131 VanDerWaalsContact O-CG 3.27Å; L127-Q131 WeakPolarHBondContact O-CG 3.49Å; L127-Q131 PolarHBondContact O-N 2.94Å; L127-Q131 PolarHBondContact O-NE2 3.22Å; K128-Q131 WeakPolarHBondContact O-CB 3.49Å; K128-Q131 PolarHBondContact O-N 2.98Å; I129-Q131 VanDerWaalsContact C-N 3.31Å; I129-Q131 PolarHBondContact O-N 3.48Å; Q131-C134 WeakPolarHBondContact O-CB 3.32Å; Q131-I237 HydrophobicContact CG-CB 4.5Å; Q131-I237 HydrophobicContact CG-CD1 3.49Å; Q131-I237 VanDerWaalsContact CG-CD1 3.49Å; Q131-I237 HydrophobicContact CG-CG1 3.66Å; Q131-I237 HydrophobicContact CG-CG2 3.98Å |
| 132 | L | 92.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -73.3 | -43.4 | 178.2 | -175.2 | 58.1 | 0 | 0 | 0 | 110.8 | L83 F84 V87 L108 K128 I129 H130 C134 R135 L136 | L83-L132 HydrophobicContact CB-CD2 3.58Å; L83-L132 HydrophobicContact CD1-CD2 4.24Å; F84-L132 HydrophobicContact CD2-CB 4.33Å; F84-L132 HydrophobicContact CD2-CD1 4.45Å; V87-L132 HydrophobicContact CB-CD1 3.94Å; V87-L132 HydrophobicContact CG1-CD1 4.47Å; V87-L132 HydrophobicContact CG2-CD1 4.05Å; L108-L132 HydrophobicContact CD1-CD2 3.57Å; L108-L132 HydrophobicContact CD1-CG 3.77Å; L108-L132 HydrophobicContact CD2-CD2 3.74Å; L108-L132 HydrophobicContact CG-CD2 4.32Å; K128-L132 PolarHBondContact O-N 2.88Å; I129-L132 PolarHBondContact O-N 3.32Å; I129-L132 VanDerWaalsContact O-N 3.11Å; H130-L132 PolarHBondContact O-N 2.89Å; L132-C134 VanDerWaalsContact C-N 3.28Å; L132-C134 PolarHBondContact O-N 3.46Å; L132-R135 PolarHBondContact O-N 2.73Å; L132-L136 PolarHBondContact O-N 2.91Å |
| 133 | L | 93.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.2 | -38.2 | 171.5 | -71.9 | 168.2 | 0 | 0 | 0 | 111.8 | T105 L108 F109 L112 I129 R135 L136 G137 F143 M241 | T105-L133 HydrophobicContact CG2-CD2 3.86Å; L108-L133 HydrophobicContact CB-CD2 3.78Å; L108-L133 HydrophobicContact CB-CG 4.2Å; L108-L133 HydrophobicContact CD1-CD2 4.36Å; F109-L133 HydrophobicContact CD1-CD1 3.77Å; F109-L133 HydrophobicContact CD1-CD2 4.27Å; F109-L133 HydrophobicContact CD2-CD2 4.27Å; F109-L133 HydrophobicContact CE1-CD1 3.68Å; F109-L133 HydrophobicContact CE1-CD2 4.08Å; F109-L133 HydrophobicContact CE1-CG 4.45Å; F109-L133 HydrophobicContact CE2-CD2 4.07Å; F109-L133 HydrophobicContact CG-CD2 4.36Å; F109-L133 HydrophobicContact CZ-CD1 4.35Å; F109-L133 HydrophobicContact CZ-CD2 3.97Å; L112-L133 HydrophobicContact CD2-CD1 4.3Å; I129-L133 HydrophobicContact CG2-CD1 3.8Å; I129-L133 HydrophobicContact CG2-CG 4.31Å; I129-L133 WeakPolarHBondContact O-CB 3.35Å; I129-L133 WeakPolarHBondContact O-CG 3.42Å; I129-L133 PolarHBondContact O-N 3.48Å; L133-R135 PolarHBondContact O-N 3.3Å; L133-L136 PolarHBondContact O-N 2.94Å; L133-G137 PolarHBondContact O-N 2.99Å; L133-F143 HydrophobicContact CB-CE2 3.96Å; L133-F143 HydrophobicContact CB-CZ 3.99Å; L133-F143 HydrophobicContact CD2-CE2 3.96Å; L133-F143 WeakPolarHBondContact O-CE2 3.3Å; L133-M241 HydrophobicContact CB-CE 3.65Å; L133-M241 HydrophobicContact CB-SD 3.78Å; L133-M241 HydrophobicContact CD1-CE 3.84Å; L133-M241 HydrophobicContact CG-CE 4.4Å |
| 134 | C | 91.9 | Very high | 90.4 | Very high | 29 Ų | 29 | 36.3 Ų | 36.3 | 20% | 0.196 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.5 | -27.6 | 171.2 | -91.8 | 0 | 0 | 0 | 0 | 114.6 | H130 Q131 L132 P138 M241 L244 | H130-C134 WeakPolarHBondContact O-CB 3.35Å; H130-C134 PolarHBondContact O-N 3.42Å; Q131-C134 WeakPolarHBondContact O-CB 3.32Å; L132-C134 VanDerWaalsContact C-N 3.28Å; L132-C134 PolarHBondContact O-N 3.46Å; C134-P138 WeakPolarHBondContact O-CD 3.36Å; C134-M241 HydrophobicContact CB-SD 4.48Å; C134-M241 VanDerWaalsContact SG-CG 3.52Å; C134-M241 VanDerWaalsContact SG-SD 3.65Å; C134-L244 HydrophobicContact CB-CD1 4.5Å |
| 135 | R | 90 | Very high | 90.2 | Very high | 81 Ų | 81 | 36.3 Ų | 36.3 | 31% | 0.306 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -86.9 | -31.4 | 177.8 | -63.6 | -177 | -171.7 | 153.4 | 12.6 | 112.8 | V87 L132 L133 | V87-R135 HydrophobicContact CG1-CB 3.72Å; V87-R135 HydrophobicContact CG1-CG 4.45Å; V87-R135 WeakPolarHBondContact O-CD 3.15Å; V87-R135 PolarHBondContact O-NH1 3.19Å; L132-R135 PolarHBondContact O-N 2.73Å; L133-R135 PolarHBondContact O-N 3.3Å |
| 136 | L | 90.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -85 | -36.7 | 179.6 | -59.7 | 178 | 0 | 0 | 0 | 112.3 | V87 I96 L99 I100 I104 L108 L132 L133 M139 D140 | V87-L136 HydrophobicContact CG1-CD2 4.36Å; V87-L136 HydrophobicContact CG2-CD2 4.17Å; I96-L136 HydrophobicContact CG2-CD2 3.98Å; L99-L136 HydrophobicContact CB-CD2 4.45Å; L99-L136 HydrophobicContact CD1-CD2 4.04Å; I100-L136 HydrophobicContact CD1-CB 4.45Å; I100-L136 WeakPolarHBondContact CD1-O 3.5Å; I100-L136 HydrophobicContact CG1-CB 4.39Å; I104-L136 HydrophobicContact CG2-CD1 4.11Å; L108-L136 HydrophobicContact CD1-CD1 3.64Å; L132-L136 PolarHBondContact O-N 2.91Å; L133-L136 PolarHBondContact O-N 2.94Å; L136-M139 PolarHBondContact O-N 3.43Å; L136-D140 PolarHBondContact O-N 3.09Å |
| 137 | G | 87.5 | Confident | 89.8 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -38.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 117 | L133 M139 D140 F143 | L133-G137 PolarHBondContact O-N 2.99Å; G137-M139 PolarHBondContact O-N 3.32Å; G137-M139 VanDerWaalsContact O-N 3.08Å; G137-D140 PolarHBondContact O-N 3.06Å; G137-F143 VanDerWaalsContact CA-CE2 3.48Å |
| 138 | P | 86.9 | Confident | 89.5 | Confident | 68 Ų | 68 | 43.8 Ų | 43.8 | 44% | 0.442 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -18.5 | 174.8 | -24.9 | 33.6 | 0 | 0 | 0 | 114.8 | C134 L244 | C134-P138 WeakPolarHBondContact O-CD 3.36Å; P138-L244 HydrophobicContact CG-CD2 3.99Å |
| 139 | M | 86.3 | Confident | 89.3 | Confident | 58 Ų | 58 | 47.1 Ų | 47.1 | 29% | 0.286 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105 | -21.6 | -178.6 | -66.9 | -125.3 | 67.2 | 0 | 0 | 113.3 | Q93 I96 I100 L136 G137 K141 | Q93-M139 HydrophobicContact CG-CE 3.8Å; Q93-M139 HydrophobicContact CG-SD 3.72Å; I96-M139 HydrophobicContact CB-SD 4.3Å; I96-M139 HydrophobicContact CG2-CB 3.82Å; I96-M139 HydrophobicContact CG2-CG 3.72Å; I96-M139 HydrophobicContact CG2-SD 3.89Å; I100-M139 HydrophobicContact CD1-CB 3.53Å; L136-M139 PolarHBondContact O-N 3.43Å; G137-M139 PolarHBondContact O-N 3.32Å; G137-M139 VanDerWaalsContact O-N 3.08Å; M139-K141 PolarHBondContact O-N 3.16Å |
| 140 | D | 87.8 | Confident | 89 | Confident | 7 Ų | 7 | 47.9 Ų | 47.9 | 4% | 0.037 | 22% | 0.223 | C | C | . | . | trans | -88.2 | 100.3 | -179 | -174.5 | -13.8 | 0 | 0 | 0 | 110.9 | I100 T105 L136 G137 R142 F143 R146 | I100-D140 HydrophobicContact CD1-CB 4.03Å; I100-D140 HydrophobicContact CG1-CB 4.21Å; I100-D140 HydrophobicContact CG2-CB 3.74Å; T105-D140 WeakPolarHBondContact CB-OD2 3.46Å; T105-D140 VanDerWaalsContact CG2-OD2 3.29Å; T105-D140 WeakPolarHBondContact CG2-OD2 3.33Å; T105-D140 PolarHBondContact OG1-OD2 2.97Å; L136-D140 PolarHBondContact O-N 3.09Å; G137-D140 PolarHBondContact O-N 3.06Å; D140-R142 PolarHBondContact O-N 3.27Å; D140-R142 WeakPolarHBondContact OD1-CA 3.48Å; D140-R142 PolarHBondContact OD1-N 2.92Å; D140-F143 HydrophobicContact CB-CB 4.04Å; D140-F143 VanDerWaalsContact O-CB 3.24Å; D140-F143 WeakPolarHBondContact O-CB 3.21Å; D140-F143 PolarHBondContact O-N 3.36Å; D140-F143 PolarHBondContact OD1-N 3.07Å; D140-R146 IonicContact OD1-NH1 2.67Å; D140-R146 WeakPolarHBondContact OD2-CD 3.47Å; D140-R146 IonicContact OD2-CZ 2.98Å; D140-R146 IonicContact OD2-NE 3.72Å; D140-R146 IonicContact OD2-NH1 3.84Å; D140-R146 PolarHBondContact OD2-NH1 3.41Å | ||
| 141 | K | 84.3 | Confident | 88.6 | Confident | 142 Ų | 142 | 52.3 Ų | 52.3 | 62% | 0.617 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -13.1 | 176.6 | -66.4 | -164.8 | 178.3 | -164 | 0 | 114 | M139 | M139-K141 PolarHBondContact O-N 3.16Š|
| 142 | R | 86.5 | Confident | 88.5 | Confident | 175 Ų | 175 | 50.5 Ų | 50.5 | 66% | 0.66 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.9 | 6.6 | 174.6 | -62.4 | -172.4 | -178.2 | -170.6 | 1.7 | 113.1 | D140 G144 I145 R146 | D140-R142 PolarHBondContact O-N 3.27Å; D140-R142 WeakPolarHBondContact OD1-CA 3.48Å; D140-R142 PolarHBondContact OD1-N 2.92Å; R142-G144 PolarHBondContact O-N 2.82Å; R142-I145 PolarHBondContact O-N 3.2Å; R142-R146 HydrophobicContact CB-CG 4.38Å; R142-R146 WeakPolarHBondContact O-CG 3.33Å; R142-R146 PolarHBondContact O-N 3.35Å |
| 143 | F | 91.3 | Very high | 88.4 | Confident | 4 Ų | 4 | 50.6 Ų | 50.6 | 2% | 0.018 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -49.2 | -51.1 | -174.8 | -173.3 | -100.4 | 0 | 0 | 0 | 113.6 | T105 F109 L133 G137 D140 I145 R146 A147 M241 L244 Y245 | T105-F143 HydrophobicContact CG2-CD2 3.76Å; T105-F143 HydrophobicContact CG2-CE2 4.1Å; F109-F143 HydrophobicContact CE1-CZ 4.45Å; F109-F143 AromaticContact CE2-CD2 3.99Å; F109-F143 HydrophobicContact CE2-CD2 3.99Å; F109-F143 HydrophobicContact CE2-CE2 4.04Å; F109-F143 HydrophobicContact CZ-CD1 4.39Å; F109-F143 AromaticContact CZ-CD2 3.89Å; F109-F143 HydrophobicContact CZ-CD2 3.89Å; F109-F143 HydrophobicContact CZ-CE1 4.1Å; F109-F143 AromaticContact CZ-CE2 3.59Å; F109-F143 HydrophobicContact CZ-CE2 3.59Å; F109-F143 HydrophobicContact CZ-CG 4.31Å; F109-F143 AromaticContact CZ-CZ 3.72Å; F109-F143 HydrophobicContact CZ-CZ 3.72Å; L133-F143 HydrophobicContact CB-CE2 3.96Å; L133-F143 HydrophobicContact CB-CZ 3.99Å; L133-F143 HydrophobicContact CD2-CE2 3.96Å; L133-F143 WeakPolarHBondContact O-CE2 3.3Å; G137-F143 VanDerWaalsContact CA-CE2 3.48Å; D140-F143 HydrophobicContact CB-CB 4.04Å; D140-F143 VanDerWaalsContact O-CB 3.24Å; D140-F143 WeakPolarHBondContact O-CB 3.21Å; D140-F143 PolarHBondContact O-N 3.36Å; D140-F143 PolarHBondContact OD1-N 3.07Å; F143-I145 PolarHBondContact O-N 2.93Å; F143-R146 PolarHBondContact O-N 2.97Å; F143-A147 WeakPolarHBondContact O-CB 3.24Å; F143-A147 PolarHBondContact O-N 3.01Å; F143-M241 HydrophobicContact CE1-CE 4.42Å; F143-M241 HydrophobicContact CE1-SD 4.46Å; F143-M241 HydrophobicContact CZ-CE 3.86Å; F143-M241 HydrophobicContact CZ-SD 3.88Å; F143-L244 HydrophobicContact CD1-CB 3.91Å; F143-L244 HydrophobicContact CE1-CB 3.5Å; F143-L244 VanDerWaalsContact CE1-CB 3.5Å; F143-L244 HydrophobicContact CE1-CD1 4.29Å; F143-L244 HydrophobicContact CE1-CG 4.49Å; F143-L244 HydrophobicContact CZ-CB 4.34Å; F143-L244 HydrophobicContact CZ-CD1 4.34Å; F143-Y245 HydrophobicContact CD1-CD1 4.2Å; F143-Y245 AromaticContact CE1-CD1 3.7Å; F143-Y245 HydrophobicContact CE1-CD1 3.7Å; F143-Y245 AromaticContact CE1-CE1 3.82Å; F143-Y245 HydrophobicContact CE1-CE1 3.82Å; F143-Y245 HydrophobicContact CZ-CE1 4.36Å |
| 144 | G | 85.6 | Confident | 88.4 | Confident | 11 Ų | 11 | 53.9 Ų | 53.9 | 11% | 0.113 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.7 | -38.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | R142 A147 R148 N253 | R142-G144 PolarHBondContact O-N 2.82Å; G144-A147 PolarHBondContact O-N 2.8Å; G144-R148 PolarHBondContact O-N 3.47Å; G144-N253 WeakPolarHBondContact CA-ND2 3.19Å; G144-N253 PolarHBondContact O-ND2 2.79Å |
| 145 | I | 87.2 | Confident | 88.4 | Confident | 89 Ų | 89 | 52.7 Ų | 52.7 | 46% | 0.456 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -67.9 | -44.5 | 177.7 | -60.8 | 172.8 | 0 | 0 | 0 | 109.8 | R142 F143 A147 R148 L149 | R142-I145 PolarHBondContact O-N 3.2Å; F143-I145 PolarHBondContact O-N 2.93Å; I145-A147 PolarHBondContact O-N 3.21Å; I145-R148 PolarHBondContact O-N 2.88Å; I145-R148 VanDerWaalsContact O-N 3.16Å; I145-L149 HydrophobicContact CG2-CD1 3.84Å; I145-L149 HydrophobicContact CG2-CG 4.29Å; I145-L149 WeakPolarHBondContact O-CG 3.32Å; I145-L149 PolarHBondContact O-N 2.99Å |
| 146 | R | 88.5 | Confident | 88.6 | Confident | 55 Ų | 55 | 48.8 Ų | 48.8 | 21% | 0.208 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.5 | -44.8 | 175.4 | -71.2 | 173.8 | 162.7 | 178.3 | -9.5 | 111.5 | I100 T105 F109 D140 R142 F143 R148 L149 S150 | I100-R146 PolarHBondContact O-NH1 3.5Å; T105-R146 PolarHBondContact OG1-NH1 3.35Å; F109-R146 HydrophobicContact CD2-CB 3.72Å; F109-R146 HydrophobicContact CE2-CB 3.73Å; D140-R146 IonicContact OD1-NH1 2.67Å; D140-R146 WeakPolarHBondContact OD2-CD 3.47Å; D140-R146 IonicContact OD2-CZ 2.98Å; D140-R146 IonicContact OD2-NE 3.72Å; D140-R146 IonicContact OD2-NH1 3.84Å; D140-R146 PolarHBondContact OD2-NH1 3.41Å; R142-R146 HydrophobicContact CB-CG 4.38Å; R142-R146 WeakPolarHBondContact O-CG 3.33Å; R142-R146 PolarHBondContact O-N 3.35Å; F143-R146 PolarHBondContact O-N 2.97Å; R146-R148 VanDerWaalsContact C-N 3.27Å; R146-R148 PolarHBondContact O-N 2.89Å; R146-L149 PolarHBondContact O-N 3.08Å; R146-S150 PolarHBondContact O-N 2.87Å |
| 147 | A | 89 | Confident | 88.8 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.6 | -32.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | F109 F143 G144 I145 C152 I153 Y245 | F109-A147 HydrophobicContact CD1-CB 4.38Å; F109-A147 HydrophobicContact CE1-CB 3.65Å; F109-A147 HydrophobicContact CE2-CB 4.19Å; F109-A147 HydrophobicContact CZ-CB 3.55Å; F143-A147 WeakPolarHBondContact O-CB 3.24Å; F143-A147 PolarHBondContact O-N 3.01Å; G144-A147 PolarHBondContact O-N 2.8Å; I145-A147 PolarHBondContact O-N 3.21Å; A147-C152 PolarHBondContact O-N 2.85Å; A147-I153 HydrophobicContact CB-CG1 4.34Å; A147-Y245 HydrophobicContact CB-CD1 3.61Å; A147-Y245 HydrophobicContact CB-CE1 3.41Å; A147-Y245 VanDerWaalsContact CB-CE1 3.41Å; A147-Y245 HydrophobicContact CB-CG 4.48Å |
| 148 | R | 87.1 | Confident | 89 | Confident | 110 Ų | 110 | 52.5 Ų | 52.5 | 42% | 0.415 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -77 | -47.3 | 177.6 | -176.2 | 172.6 | 64.9 | 130.2 | -0.8 | 111.8 | G144 I145 R146 H151 I153 | G144-R148 PolarHBondContact O-N 3.47Å; I145-R148 PolarHBondContact O-N 2.88Å; I145-R148 VanDerWaalsContact O-N 3.16Å; R146-R148 VanDerWaalsContact C-N 3.27Å; R146-R148 PolarHBondContact O-N 2.89Å; R148-H151 PolarHBondContact O-N 3.02Å; R148-I153 HydrophobicContact CB-CD1 4.1Å |
| 149 | L | 87.2 | Confident | 89.4 | Confident | 122 Ų | 122 | 49.4 Ų | 49.4 | 64% | 0.639 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -66 | -35.3 | -179 | -67.7 | 174 | 0 | 0 | 0 | 112.7 | I145 R146 H151 | I145-L149 HydrophobicContact CG2-CD1 3.84Å; I145-L149 HydrophobicContact CG2-CG 4.29Å; I145-L149 WeakPolarHBondContact O-CG 3.32Å; I145-L149 PolarHBondContact O-N 2.99Å; R146-L149 PolarHBondContact O-N 3.08Å; L149-H151 PolarHBondContact O-N 3.3Å |
| 150 | S | 86.8 | Confident | 89.8 | Confident | 15 Ų | 15 | 46.7 Ų | 46.7 | 11% | 0.105 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 20.2 | 174.6 | -62.4 | 0 | 0 | 0 | 0 | 113.7 | R146 C152 | R146-S150 PolarHBondContact O-N 2.87Å; S150-C152 PolarHBondContact O-N 2.99Å; S150-C152 PolarHBondContact O-SG 2.88Å |
| 151 | H | 88.3 | Confident | 90.1 | Very high | 94 Ų | 94 | 50.8 Ų | 50.8 | 44% | 0.435 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | 27.1 | 177.4 | -64.5 | -55.8 | 0 | 0 | 0 | 116.1 | Y113 R148 L149 P154 | Y113-H151 HydrophobicContact CD2-CB 4.07Å; Y113-H151 HydrophobicContact CE2-CB 3.99Å; R148-H151 PolarHBondContact O-N 3.02Å; L149-H151 PolarHBondContact O-N 3.3Å; H151-P154 WeakPolarHBondContact O-CD 3.35Å |
| 152 | C | 89.6 | Confident | 90.4 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -83.3 | -17.1 | -172.3 | -73 | 0 | 0 | 0 | 0 | 114.6 | F109 L112 A147 S150 I155 T156 | F109-C152 HydrophobicContact CD1-CB 3.83Å; F109-C152 HydrophobicContact CE1-CB 4.33Å; F109-C152 PolarHBondContact O-SG 2.93Å; L112-C152 HydrophobicContact CD2-CB 4.05Å; A147-C152 PolarHBondContact O-N 2.85Å; S150-C152 PolarHBondContact O-N 2.99Å; S150-C152 PolarHBondContact O-SG 2.88Å; C152-I155 WeakPolarHBondContact O-CB 3.44Å; C152-I155 PolarHBondContact O-N 3.03Å; C152-T156 PolarHBondContact O-N 2.82Å; C152-T156 PolarHBondContact O-OG1 2.91Å |
| 153 | I | 91.6 | Very high | 90.7 | Very high | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.1 | -47.5 | -177.2 | -66.7 | 170.6 | 0 | 0 | 0 | 112 | A147 R148 I155 T156 I157 Y245 N253 L256 L257 | A147-I153 HydrophobicContact CB-CG1 4.34Å; R148-I153 HydrophobicContact CB-CD1 4.1Å; I153-I155 VanDerWaalsContact C-N 3.3Å; I153-I155 PolarHBondContact O-N 2.88Å; I153-T156 PolarHBondContact O-N 2.85Å; I153-I157 HydrophobicContact CG2-CD1 4.06Å; I153-I157 WeakPolarHBondContact O-CG1 3.46Å; I153-I157 PolarHBondContact O-N 2.93Å; I153-Y245 HydrophobicContact CG1-CD2 4.02Å; I153-Y245 HydrophobicContact CG1-CE2 4.07Å; I153-Y245 HydrophobicContact CG1-CG 4.45Å; I153-N253 HydrophobicContact CD1-CB 4.17Å; I153-L256 HydrophobicContact CB-CD2 4.47Å; I153-L256 HydrophobicContact CD1-CD2 4.09Å; I153-L256 HydrophobicContact CG2-CD2 4.2Å; I153-L257 HydrophobicContact CG2-CD2 3.92Å; I153-L257 HydrophobicContact CG2-CG 4.09Å |
| 154 | P | 91.8 | Very high | 90.7 | Very high | 69 Ų | 69 | 38.9 Ų | 38.9 | 45% | 0.448 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -53.5 | -40 | 172.4 | -29.3 | 36 | 0 | 0 | 0 | 114.5 | H151 T156 I157 H158 | H151-P154 WeakPolarHBondContact O-CD 3.35Å; P154-T156 PolarHBondContact O-N 3.01Å; P154-I157 PolarHBondContact O-N 3.13Å; P154-I157 VanDerWaalsContact O-N 3.11Å; P154-H158 PolarHBondContact O-N 3.28Å |
| 155 | I | 93.4 | Very high | 90.7 | Very high | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.015 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.1 | -48.2 | 179.7 | -53.8 | 176.3 | 0 | 0 | 0 | 110.4 | L112 Y113 Y116 C152 I153 I157 H158 L159 | L112-I155 HydrophobicContact CG-CD1 4.3Å; L112-I155 HydrophobicContact CG-CG2 4.48Å; Y113-I155 HydrophobicContact CD2-CD1 4.41Å; Y116-I155 HydrophobicContact CD1-CD1 4.1Å; Y116-I155 HydrophobicContact CD1-CG1 3.8Å; Y116-I155 HydrophobicContact CD2-CB 4.32Å; Y116-I155 HydrophobicContact CD2-CG1 4.12Å; Y116-I155 HydrophobicContact CD2-CG2 3.65Å; Y116-I155 HydrophobicContact CE1-CG1 4.25Å; Y116-I155 HydrophobicContact CE2-CG2 4.23Å; Y116-I155 HydrophobicContact CG-CB 4.4Å; Y116-I155 HydrophobicContact CG-CD1 3.9Å; Y116-I155 HydrophobicContact CG-CG1 3.73Å; Y116-I155 HydrophobicContact CG-CG2 3.97Å; C152-I155 WeakPolarHBondContact O-CB 3.44Å; C152-I155 PolarHBondContact O-N 3.03Å; I153-I155 VanDerWaalsContact C-N 3.3Å; I153-I155 PolarHBondContact O-N 2.88Å; I155-I157 VanDerWaalsContact C-N 3.28Å; I155-I157 PolarHBondContact O-N 2.87Å; I155-H158 PolarHBondContact O-N 3.29Å; I155-L159 WeakPolarHBondContact O-CG 3.41Å; I155-L159 PolarHBondContact O-N 3.47Å |
| 156 | T | 94.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.1 | -32.3 | 177.6 | -48.8 | 0 | 0 | 0 | 0 | 112.4 | H130 C152 I153 P154 L160 I238 M241 I242 Y245 | H130-T156 PolarHBondContact NE2-OG1 2.9Å; C152-T156 PolarHBondContact O-N 2.82Å; C152-T156 PolarHBondContact O-OG1 2.91Å; I153-T156 PolarHBondContact O-N 2.85Å; P154-T156 PolarHBondContact O-N 3.01Å; T156-L160 PolarHBondContact O-N 3.02Å; T156-L160 VanDerWaalsContact O-N 3.09Å; T156-I238 HydrophobicContact CG2-CG2 4.08Å; T156-M241 HydrophobicContact CG2-CB 4.13Å; T156-I242 HydrophobicContact CG2-CG1 4.12Å; T156-Y245 HydrophobicContact CG2-CE2 3.99Å; T156-Y245 WeakPolarHBondContact OG1-CE2 3.44Å; T156-Y245 PolarHBondContact OG1-OH 3.26Å |
| 157 | I | 93.3 | Very high | 90.7 | Very high | 4 Ų | 4 | 38.3 Ų | 38.3 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -73 | -40.3 | 175.9 | -60.4 | 173.5 | 0 | 0 | 0 | 111.1 | I153 P154 I155 L160 R161 L257 N260 V262 | I153-I157 HydrophobicContact CG2-CD1 4.06Å; I153-I157 WeakPolarHBondContact O-CG1 3.46Å; I153-I157 PolarHBondContact O-N 2.93Å; P154-I157 PolarHBondContact O-N 3.13Å; P154-I157 VanDerWaalsContact O-N 3.11Å; I155-I157 VanDerWaalsContact C-N 3.28Å; I155-I157 PolarHBondContact O-N 2.87Å; I157-L160 WeakPolarHBondContact O-CB 3.3Å; I157-L160 PolarHBondContact O-N 2.99Å; I157-R161 WeakPolarHBondContact O-CG 3.49Å; I157-R161 PolarHBondContact O-N 2.9Å; I157-L257 HydrophobicContact CD1-CD2 3.99Å; I157-L257 HydrophobicContact CG1-CD2 3.93Å; I157-N260 HydrophobicContact CD1-CB 3.48Å; I157-N260 VanDerWaalsContact CD1-CB 3.48Å; I157-V262 HydrophobicContact CB-CG2 4.47Å; I157-V262 HydrophobicContact CD1-CG2 3.87Å; I157-V262 HydrophobicContact CG1-CG2 3.69Å; I157-V262 HydrophobicContact CG2-CG2 4.08Å |
| 158 | H | 92.8 | Very high | 90.4 | Very high | 74 Ų | 74 | 38.6 Ų | 38.6 | 34% | 0.343 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -60.8 | -47.2 | 174.9 | -174.1 | 103.1 | 0 | 0 | 0 | 110.7 | Y116 P154 I155 L160 R161 I162 | Y116-H158 HydrophobicContact CE2-CB 4.46Å; P154-H158 PolarHBondContact O-N 3.28Å; I155-H158 PolarHBondContact O-N 3.29Å; H158-L160 VanDerWaalsContact C-N 3.29Å; H158-L160 PolarHBondContact O-N 3.12Å; H158-R161 WeakPolarHBondContact O-CB 3.37Å; H158-R161 PolarHBondContact O-N 3.33Å; H158-R161 VanDerWaalsContact O-N 3.13Å; H158-I162 PolarHBondContact O-N 3.14Å |
| 159 | L | 94.4 | Very high | 90.1 | Very high | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.4 | -38.6 | 173.5 | -69.1 | 174.9 | 0 | 0 | 0 | 112.5 | V123 L126 H130 I155 I162 Q163 I238 | V123-L159 HydrophobicContact CG1-CD2 4.02Å; L126-L159 HydrophobicContact CB-CD1 4.36Å; H130-L159 VanDerWaalsContact CE1-CD1 3.41Å; H130-L159 WeakPolarHBondContact CE1-CD1 3.32Å; I155-L159 WeakPolarHBondContact O-CG 3.41Å; I155-L159 PolarHBondContact O-N 3.47Å; L159-I162 PolarHBondContact O-N 2.93Å; L159-Q163 WeakPolarHBondContact O-CG 3.34Å; L159-Q163 PolarHBondContact O-N 3.46Å; L159-Q163 VanDerWaalsContact O-N 3.15Å; L159-I238 HydrophobicContact CB-CD1 3.93Å; L159-I238 HydrophobicContact CB-CG1 4.39Å |
| 160 | L | 94.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.3 | -49 | 173.5 | -175.8 | 63.5 | 0 | 0 | 0 | 111.3 | T156 I157 H158 I162 Q163 V164 L235 I238 I242 V262 L265 L269 | T156-L160 PolarHBondContact O-N 3.02Å; T156-L160 VanDerWaalsContact O-N 3.09Å; I157-L160 WeakPolarHBondContact O-CB 3.3Å; I157-L160 PolarHBondContact O-N 2.99Å; H158-L160 VanDerWaalsContact C-N 3.29Å; H158-L160 PolarHBondContact O-N 3.12Å; L160-I162 VanDerWaalsContact C-N 3.3Å; L160-I162 PolarHBondContact O-N 3.08Å; L160-Q163 PolarHBondContact O-N 3.43Å; L160-Q163 VanDerWaalsContact O-N 3.09Å; L160-V164 HydrophobicContact CD1-CG2 4.33Å; L160-V164 HydrophobicContact CG-CG2 4.32Å; L160-V164 WeakPolarHBondContact O-CG2 3.34Å; L160-V164 PolarHBondContact O-N 3.48Å; L160-L235 HydrophobicContact CD1-CD2 4.03Å; L160-I238 HydrophobicContact CB-CG2 3.88Å; L160-I238 HydrophobicContact CD1-CG2 3.98Å; L160-I238 HydrophobicContact CG-CG2 4.46Å; L160-I242 HydrophobicContact CD2-CD1 3.93Å; L160-V262 HydrophobicContact CD2-CG1 4.14Å; L160-L265 HydrophobicContact CD2-CB 3.97Å; L160-L265 HydrophobicContact CD2-CD1 3.95Å; L160-L265 HydrophobicContact CG-CB 4.45Å; L160-L265 HydrophobicContact CG-CD1 4.26Å; L160-L269 HydrophobicContact CD1-CD1 3.98Å |
| 161 | R | 93.6 | Very high | 88.9 | Confident | 94 Ų | 94 | 32.9 Ų | 32.9 | 36% | 0.355 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -56 | -43.3 | 178.7 | -70 | 175.3 | -171 | 171.1 | 5.1 | 111.7 | I157 H158 V164 A165 N260 L265 | I157-R161 WeakPolarHBondContact O-CG 3.49Å; I157-R161 PolarHBondContact O-N 2.9Å; H158-R161 WeakPolarHBondContact O-CB 3.37Å; H158-R161 PolarHBondContact O-N 3.33Å; H158-R161 VanDerWaalsContact O-N 3.13Å; R161-V164 PolarHBondContact O-N 3.2Å; R161-A165 WeakPolarHBondContact O-CB 3.21Å; R161-A165 PolarHBondContact O-N 3.17Å; R161-N260 PolarHBondContact NH2-O 3.27Å; R161-L265 HydrophobicContact CG-CD1 3.57Å; R161-L265 HydrophobicContact CG-CD2 4.19Å |
| 162 | I | 91.2 | Very high | 87.6 | Confident | 58 Ų | 58 | 34.9 Ų | 34.9 | 30% | 0.297 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -58.7 | -49.6 | 174.1 | -64.3 | 171.4 | 0 | 0 | 0 | 111.2 | H158 L159 L160 V164 A165 L166 | H158-I162 PolarHBondContact O-N 3.14Å; L159-I162 PolarHBondContact O-N 2.93Å; L160-I162 VanDerWaalsContact C-N 3.3Å; L160-I162 PolarHBondContact O-N 3.08Å; I162-V164 VanDerWaalsContact C-N 3.31Å; I162-V164 PolarHBondContact O-N 2.68Å; I162-A165 PolarHBondContact O-N 3.27Å; I162-L166 HydrophobicContact CG2-CD1 3.83Å; I162-L166 HydrophobicContact CG2-CG 4.33Å; I162-L166 WeakPolarHBondContact O-CB 3.44Å; I162-L166 WeakPolarHBondContact O-CG 3.21Å; I162-L166 PolarHBondContact O-N 3.18Å |
| 163 | Q | 92.7 | Very high | 86.1 | Confident | 8 Ų | 8 | 43 Ų | 43 | 4% | 0.037 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.5 | -32.1 | -178.6 | -59.4 | -45.8 | -86.6 | 0 | 0 | 112.7 | L159 L160 L167 N234 L235 I238 | L159-Q163 WeakPolarHBondContact O-CG 3.34Å; L159-Q163 PolarHBondContact O-N 3.46Å; L159-Q163 VanDerWaalsContact O-N 3.15Å; L160-Q163 PolarHBondContact O-N 3.43Å; L160-Q163 VanDerWaalsContact O-N 3.09Å; Q163-L167 WeakPolarHBondContact O-CB 3.22Å; Q163-L167 PolarHBondContact O-N 2.99Å; Q163-L167 VanDerWaalsContact O-N 3.08Å; Q163-N234 HydrophobicContact CG-CB 4.1Å; Q163-N234 PolarHBondContact OE1-ND2 2.97Å; Q163-L235 HydrophobicContact CB-CD2 3.59Å; Q163-L235 HydrophobicContact CB-CG 4.04Å; Q163-L235 HydrophobicContact CG-CD2 4.29Å; Q163-I238 HydrophobicContact CG-CD1 3.66Å |
| 164 | V | 90.7 | Very high | 84 | Confident | 4 Ų | 4 | 47.2 Ų | 47.2 | 2% | 0.024 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.1 | -45.4 | 174 | 176.8 | 0 | 0 | 0 | 0 | 111.1 | L160 R161 I162 L167 N168 L265 Q268 L269 | L160-V164 HydrophobicContact CD1-CG2 4.33Å; L160-V164 HydrophobicContact CG-CG2 4.32Å; L160-V164 WeakPolarHBondContact O-CG2 3.34Å; L160-V164 PolarHBondContact O-N 3.48Å; R161-V164 PolarHBondContact O-N 3.2Å; I162-V164 VanDerWaalsContact C-N 3.31Å; I162-V164 PolarHBondContact O-N 2.68Å; V164-L167 PolarHBondContact O-N 2.97Å; V164-N168 WeakPolarHBondContact O-CB 3.15Å; V164-N168 PolarHBondContact O-N 3.39Å; V164-L265 HydrophobicContact CB-CD2 4.35Å; V164-L265 HydrophobicContact CG1-CD2 4.23Å; V164-L265 HydrophobicContact CG2-CB 4.4Å; V164-L265 HydrophobicContact CG2-CD2 4.22Å; V164-Q268 HydrophobicContact CG1-CG 4.45Å; V164-Q268 VanDerWaalsContact CG1-OE1 3.22Å; V164-L269 HydrophobicContact CG2-CD1 3.82Å; V164-L269 HydrophobicContact CG2-CD2 3.92Å; V164-L269 HydrophobicContact CG2-CG 3.74Å |
| 165 | A | 87.4 | Confident | 81.4 | Confident | 60 Ų | 60 | 49.2 Ų | 49.2 | 50% | 0.496 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.1 | -47.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | R161 I162 L167 N168 S169 | R161-A165 WeakPolarHBondContact O-CB 3.21Å; R161-A165 PolarHBondContact O-N 3.17Å; I162-A165 PolarHBondContact O-N 3.27Å; A165-L167 VanDerWaalsContact C-N 3.34Å; A165-L167 PolarHBondContact O-N 3.28Å; A165-N168 PolarHBondContact O-N 2.88Å; A165-S169 WeakPolarHBondContact O-CB 3.23Å; A165-S169 PolarHBondContact O-N 3.4Å; A165-S169 PolarHBondContact O-OG 3.06Å |
| 166 | L | 87.6 | Confident | 79.2 | Confident | 79 Ų | 79 | 54.1 Ų | 54.1 | 41% | 0.414 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.6 | -38.5 | 176.8 | -71.4 | 171.9 | 0 | 0 | 0 | 113 | I162 S169 S170 I231 | I162-L166 HydrophobicContact CG2-CD1 3.83Å; I162-L166 HydrophobicContact CG2-CG 4.33Å; I162-L166 WeakPolarHBondContact O-CB 3.44Å; I162-L166 WeakPolarHBondContact O-CG 3.21Å; I162-L166 PolarHBondContact O-N 3.18Å; L166-S169 WeakPolarHBondContact CA-OG 3.39Å; L166-S169 PolarHBondContact O-OG 2.7Å; L166-S170 WeakPolarHBondContact O-CB 3.1Å; L166-S170 PolarHBondContact O-N 3.22Å; L166-S170 VanDerWaalsContact O-N 3.1Å; L166-S170 PolarHBondContact O-OG 2.85Å; L166-I231 HydrophobicContact CB-CD1 4.2Å |
| 167 | L | 87 | Confident | 76.8 | Confident | 4 Ų | 4 | 63.8 Ų | 63.8 | 2% | 0.021 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -68.6 | -45.9 | 175.8 | -178 | 65.9 | 0 | 0 | 0 | 111.3 | Q163 V164 A165 S169 S170 I171 V227 L269 L272 L273 | Q163-L167 WeakPolarHBondContact O-CB 3.22Å; Q163-L167 PolarHBondContact O-N 2.99Å; Q163-L167 VanDerWaalsContact O-N 3.08Å; V164-L167 PolarHBondContact O-N 2.97Å; A165-L167 VanDerWaalsContact C-N 3.34Å; A165-L167 PolarHBondContact O-N 3.28Å; L167-S169 PolarHBondContact O-N 3.42Å; L167-S170 WeakPolarHBondContact O-CB 3.46Å; L167-S170 PolarHBondContact O-N 3.05Å; L167-S170 VanDerWaalsContact O-N 3.09Å; L167-I171 HydrophobicContact CD1-CD1 3.91Å; L167-I171 HydrophobicContact CD1-CG1 4.41Å; L167-I171 HydrophobicContact CD2-CD1 4.44Å; L167-I171 HydrophobicContact CG-CD1 3.84Å; L167-I171 WeakPolarHBondContact O-CG1 3.25Å; L167-I171 PolarHBondContact O-N 2.89Å; L167-V227 HydrophobicContact CD1-CG1 4.17Å; L167-V227 HydrophobicContact CD1-CG2 4.03Å; L167-L269 HydrophobicContact CD2-CD2 3.66Å; L167-L272 HydrophobicContact CD2-CB 4.13Å; L167-L272 HydrophobicContact CD2-CD1 4.37Å; L167-L273 HydrophobicContact CD1-CD2 4.46Å; L167-L273 HydrophobicContact CD2-CD2 3.74Å; L167-L273 HydrophobicContact CD2-CG 3.97Å |
| 168 | N | 83.9 | Confident | 74.7 | Confident | 6 Ų | 6 | 66.3 Ų | 66.3 | 3% | 0.032 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.6 | -39.2 | -179.8 | -163.6 | -10.8 | 0 | 0 | 0 | 111.4 | V164 A165 S170 I171 R172 L272 L289 | V164-N168 WeakPolarHBondContact O-CB 3.15Å; V164-N168 PolarHBondContact O-N 3.39Å; A165-N168 PolarHBondContact O-N 2.88Å; N168-S170 VanDerWaalsContact C-N 3.3Å; N168-S170 PolarHBondContact O-N 3.34Å; N168-I171 PolarHBondContact O-N 3Å; N168-R172 PolarHBondContact ND2-NH2 2.91Å; N168-R172 WeakPolarHBondContact O-CB 3.28Å; N168-R172 PolarHBondContact O-N 2.85Å; N168-R172 PolarHBondContact OD1-NE 2.86Å; N168-R172 PolarHBondContact OD1-NH1 2.82Å; N168-R172 PolarHBondContact OD1-NH2 3.48Å; N168-L272 HydrophobicContact CB-CD1 3.99Å; N168-L289 PolarHBondContact ND2-O 2.93Å |
| 169 | S | 79.3 | Confident | 72.5 | Confident | 57 Ų | 57 | 67.9 Ų | 67.9 | 40% | 0.399 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -70 | -22.8 | 172.3 | 65.5 | 0 | 0 | 0 | 0 | 114.1 | A165 L166 L167 | A165-S169 WeakPolarHBondContact O-CB 3.23Å; A165-S169 PolarHBondContact O-N 3.4Å; A165-S169 PolarHBondContact O-OG 3.06Å; L166-S169 WeakPolarHBondContact CA-OG 3.39Å; L166-S169 PolarHBondContact O-OG 2.7Å; L167-S169 PolarHBondContact O-N 3.42Å |
| 170 | S | 76.8 | Confident | 70.5 | Confident | 59 Ų | 59 | 75.9 Ų | 75.9 | 41% | 0.413 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -78.2 | -36.8 | 173.1 | -58.4 | 0 | 0 | 0 | 0 | 111.7 | L166 L167 N168 | L166-S170 WeakPolarHBondContact O-CB 3.1Å; L166-S170 PolarHBondContact O-N 3.22Å; L166-S170 VanDerWaalsContact O-N 3.1Å; L166-S170 PolarHBondContact O-OG 2.85Å; L167-S170 WeakPolarHBondContact O-CB 3.46Å; L167-S170 PolarHBondContact O-N 3.05Å; L167-S170 VanDerWaalsContact O-N 3.09Å; N168-S170 VanDerWaalsContact C-N 3.3Å; N168-S170 PolarHBondContact O-N 3.34Å |
| 171 | I | 72.2 | Confident | 68.4 | Low | 11 Ų | 11 | 81 Ų | 81 | 6% | 0.056 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -78.8 | -40.8 | -178.9 | -70.2 | 169.3 | 0 | 0 | 0 | 111.8 | L167 N168 K173 T174 M224 P225 L272 H277 | L167-I171 HydrophobicContact CD1-CD1 3.91Å; L167-I171 HydrophobicContact CD1-CG1 4.41Å; L167-I171 HydrophobicContact CD2-CD1 4.44Å; L167-I171 HydrophobicContact CG-CD1 3.84Å; L167-I171 WeakPolarHBondContact O-CG1 3.25Å; L167-I171 PolarHBondContact O-N 2.89Å; N168-I171 PolarHBondContact O-N 3Å; I171-K173 PolarHBondContact O-N 2.67Å; I171-T174 PolarHBondContact O-N 2.67Å; I171-T174 PolarHBondContact O-OG1 3.18Å; I171-T174 VanDerWaalsContact O-OG1 3.11Å; I171-M224 HydrophobicContact CD1-CE 4.21Å; I171-M224 HydrophobicContact CG1-CE 4.12Å; I171-M224 HydrophobicContact CG2-CE 3.79Å; I171-P225 HydrophobicContact CG1-CG 4.28Å; I171-L272 HydrophobicContact CD1-CB 3.89Å; I171-L272 HydrophobicContact CD1-CD2 3.94Å; I171-L272 HydrophobicContact CD1-CG 4.4Å; I171-L272 HydrophobicContact CG2-CD2 4.38Å; I171-H277 WeakPolarHBondContact CG2-NE2 3.48Å |
| 172 | R | 61.5 | Low | 66.4 | Low | 136 Ų | 136 | 77.5 Ų | 77.5 | 51% | 0.513 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -4.2 | 178.7 | -79.6 | -163.8 | -78.6 | -121.9 | 0.2 | 115.2 | N168 T174 L289 | N168-R172 PolarHBondContact ND2-NH2 2.91Å; N168-R172 WeakPolarHBondContact O-CB 3.28Å; N168-R172 PolarHBondContact O-N 2.85Å; N168-R172 PolarHBondContact OD1-NE 2.86Å; N168-R172 PolarHBondContact OD1-NH1 2.82Å; N168-R172 PolarHBondContact OD1-NH2 3.48Å; R172-T174 VanDerWaalsContact C-N 3.34Å; R172-L289 PolarHBondContact NH1-O 3.49Å |
| 173 | K | 57.4 | Low | 64.4 | Low | 172 Ų | 172 | 81.8 Ų | 81.8 | 75% | 0.748 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | 3.3 | 175.5 | -74.6 | -173 | 176.3 | -167.3 | 0 | 114.7 | I171 P175 | I171-K173 PolarHBondContact O-N 2.67Å; K173-P175 VanDerWaalsContact C-CD 3.42Å; K173-P175 WeakPolarHBondContact O-CD 3.5Å |
| 174 | T | 47.9 | Very low | 62.4 | Low | 90 Ų | 90 | 87.1 Ų | 87.1 | 55% | 0.552 | 45% | 0.446 | S | S | * | . | trans | -111.1 | 83.1 | 174.3 | 53.4 | 0 | 0 | 0 | 0 | 113.3 | I171 R172 P225 | I171-T174 PolarHBondContact O-N 2.67Å; I171-T174 PolarHBondContact O-OG1 3.18Å; I171-T174 VanDerWaalsContact O-OG1 3.11Å; R172-T174 VanDerWaalsContact C-N 3.34Å; T174-P225 HydrophobicContact CG2-CG 4.25Å | ||
| 175 | P | 37.7 | Very low | 60.2 | Low | 110 Ų | 110 | 89 Ų | 89 | 71% | 0.714 | 46% | 0.455 | S | S | * | . | trans | -89.2 | 135.2 | 163.8 | 34.7 | -31.4 | 0 | 0 | 0 | 111.3 | K173 | K173-P175 VanDerWaalsContact C-CD 3.42Å; K173-P175 WeakPolarHBondContact O-CD 3.5Å | ||
| 176 | S | 46.8 | Very low | 58.1 | Low | 107 Ų | 107 | 90 Ų | 90 | 75% | 0.748 | 46% | 0.459 | S | S | * | . | trans | 175.4 | 149.1 | 150.3 | 40.4 | 0 | 0 | 0 | 0 | 113.5 | F178 | S176-F178 VanDerWaalsContact C-N 3.33Å; S176-F178 PolarHBondContact O-N 2.96Å | ||
| 177 | R | 44.8 | Very low | 55.8 | Low | 203 Ų | 203 | 92.6 Ų | 92.6 | 77% | 0.766 | 47% | 0.473 | S | S | * | . | S | Bend | trans | 49.9 | -59.2 | 167.7 | -72.1 | -174.9 | 171.9 | 177.9 | -2.9 | 119.5 | D179 K180 | R177-D179 PolarHBondContact O-N 3.42Å; R177-D179 VanDerWaalsContact O-N 3.12Å; R177-K180 PolarHBondContact O-N 3.41Å; R177-K180 VanDerWaalsContact O-N 3.08Å |
| 178 | F | 48.3 | Very low | 53.6 | Low | 57 Ų | 57 | 93.4 Ų | 93.4 | 25% | 0.25 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -55.4 | -37.4 | -168.9 | -158.2 | -111.3 | 0 | 0 | 0 | 112.9 | S176 K180 H181 L182 H217 I278 Y279 | S176-F178 VanDerWaalsContact C-N 3.33Å; S176-F178 PolarHBondContact O-N 2.96Å; F178-K180 VanDerWaalsContact C-N 3.31Å; F178-K180 PolarHBondContact O-N 3.14Å; F178-H181 PolarHBondContact O-N 3.29Å; F178-L182 HydrophobicContact CD1-CD1 3.72Å; F178-L182 HydrophobicContact CE1-CD1 3.5Å; F178-L182 HydrophobicContact CE1-CG 4.5Å; F178-L182 HydrophobicContact CZ-CD1 4.39Å; F178-L182 PolarHBondContact O-N 3.05Å; F178-H217 AromaticContact CD2-NE2 3.52Å; F178-I278 HydrophobicContact CD1-CG2 3.94Å; F178-I278 HydrophobicContact CE1-CG2 4.14Å; F178-Y279 HydrophobicContact CE1-CD1 4.46Å; F178-Y279 HydrophobicContact CE1-CE1 4.03Å; F178-Y279 HydrophobicContact CZ-CE1 4.31Å |
| 179 | D | 46.7 | Very low | 51.5 | Low | 107 Ų | 107 | 100.2 Ų | 100.2 | 57% | 0.572 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.5 | -25.9 | -177.3 | -160.9 | 9.3 | 0 | 0 | 0 | 114.2 | R177 K281 | R177-D179 PolarHBondContact O-N 3.42Å; R177-D179 VanDerWaalsContact O-N 3.12Å; D179-K281 PolarHBondContact O-NZ 3.18Å; D179-K281 WeakPolarHBondContact OD1-CE 3.09Å; D179-K281 IonicContact OD1-NZ 3.41Å; D179-K281 PolarHBondContact OD1-NZ 3.38Å |
| 180 | K | 52.6 | Low | 49.5 | Very low | 172 Ų | 172 | 99.7 Ų | 99.7 | 75% | 0.748 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -71 | -52.9 | 173.7 | -88.8 | -166.8 | 172.1 | -171 | 0 | 111.4 | R177 F178 L182 K183 | R177-K180 PolarHBondContact O-N 3.41Å; R177-K180 VanDerWaalsContact O-N 3.08Å; F178-K180 VanDerWaalsContact C-N 3.31Å; F178-K180 PolarHBondContact O-N 3.14Å; K180-L182 VanDerWaalsContact C-N 3.28Å; K180-L182 PolarHBondContact O-N 3.04Å; K180-K183 WeakPolarHBondContact O-CB 3.14Å; K180-K183 PolarHBondContact O-N 2.85Å; K180-K183 VanDerWaalsContact O-N 3.09Å |
| 181 | H | 51.1 | Low | 47.3 | Very low | 107 Ų | 107 | 101.4 Ų | 101.4 | 50% | 0.495 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.8 | -31.9 | -175.4 | -67 | -84.3 | 0 | 0 | 0 | 112.6 | F178 K183 N184 M213 | F178-H181 PolarHBondContact O-N 3.29Å; H181-K183 PolarHBondContact O-N 2.86Å; H181-N184 PolarHBondContact O-N 2.8Å; H181-N184 VanDerWaalsContact O-N 3.13Å; H181-M213 HydrophobicContact CB-CE 3.76Å; H181-M213 HydrophobicContact CB-SD 4.1Å |
| 182 | L | 50.6 | Low | 45.5 | Very low | 21 Ų | 21 | 106.4 Ų | 106.4 | 11% | 0.11 | 53% | 0.533 | C | S | . | . | G | 310 helix | trans | -65.4 | -12.7 | 174.4 | -104.2 | 165.4 | 0 | 0 | 0 | 114.7 | F178 K180 N184 L185 P352 | F178-L182 HydrophobicContact CD1-CD1 3.72Å; F178-L182 HydrophobicContact CE1-CD1 3.5Å; F178-L182 HydrophobicContact CE1-CG 4.5Å; F178-L182 HydrophobicContact CZ-CD1 4.39Å; F178-L182 PolarHBondContact O-N 3.05Å; K180-L182 VanDerWaalsContact C-N 3.28Å; K180-L182 PolarHBondContact O-N 3.04Å; L182-N184 VanDerWaalsContact C-N 3.32Å; L182-L185 HydrophobicContact CD2-CD1 4.08Å; L182-P352 HydrophobicContact CD2-CB 4.32Å; L182-P352 HydrophobicContact CD2-CG 3.66Å |
| 183 | K | 50 | Low | 44 | Very low | 148 Ų | 148 | 105.2 Ų | 105.2 | 64% | 0.643 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -75.8 | -17.3 | 171.8 | -77.7 | -162.7 | 170.3 | -164.5 | 0 | 113.5 | K180 H181 L185 S186 | K180-K183 WeakPolarHBondContact O-CB 3.14Å; K180-K183 PolarHBondContact O-N 2.85Å; K180-K183 VanDerWaalsContact O-N 3.09Å; H181-K183 PolarHBondContact O-N 2.86Å; K183-L185 VanDerWaalsContact C-N 3.32Å; K183-S186 PolarHBondContact O-OG 2.81Å |
| 184 | N | 49.4 | Very low | 42.9 | Very low | 120 Ų | 120 | 101.4 Ų | 101.4 | 64% | 0.642 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -93.1 | 9.2 | -177.8 | -61.5 | 30.7 | 0 | 0 | 0 | 112.6 | H181 L182 | H181-N184 PolarHBondContact O-N 2.8Å; H181-N184 VanDerWaalsContact O-N 3.13Å; L182-N184 VanDerWaalsContact C-N 3.32Å |
| 185 | L | 44.6 | Very low | 42.4 | Very low | 43 Ų | 43 | 100.8 Ų | 100.8 | 23% | 0.225 | 53% | 0.53 | C | S | . | . | G | 310 helix | trans | -110.3 | -1 | -177.9 | -75.1 | 167.6 | 0 | 0 | 0 | 113.2 | L182 K183 D187 F188 I210 M213 | L182-L185 HydrophobicContact CD2-CD1 4.08Å; K183-L185 VanDerWaalsContact C-N 3.32Å; L185-D187 VanDerWaalsContact C-N 3.32Å; L185-F188 HydrophobicContact CD2-CD2 4.44Å; L185-F188 HydrophobicContact CD2-CE2 3.81Å; L185-F188 HydrophobicContact CD2-CZ 4.18Å; L185-F188 WeakPolarHBondContact O-CD2 3.34Å; L185-I210 HydrophobicContact CD2-CD1 4.08Å; L185-I210 HydrophobicContact CD2-CG1 4Å; L185-M213 HydrophobicContact CD1-CE 4.27Å; L185-M213 HydrophobicContact CD1-SD 4.29Å |
| 186 | S | 44.2 | Very low | 42.8 | Very low | 82 Ų | 82 | 99.7 Ų | 99.7 | 57% | 0.573 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -70.5 | -27.9 | 175.9 | 38.4 | 0 | 0 | 0 | 0 | 113.3 | K183 F188 | K183-S186 PolarHBondContact O-OG 2.81Å; S186-F188 PolarHBondContact O-N 2.76Å |
| 187 | D | 39.8 | Very low | 42.7 | Very low | 133 Ų | 133 | 99.4 Ų | 99.4 | 71% | 0.711 | 51% | 0.508 | S | S | * | . | trans | -87.6 | 17.8 | -159.9 | -47.5 | -12.3 | 0 | 0 | 0 | 112.6 | L185 N189 | L185-D187 VanDerWaalsContact C-N 3.32Å; D187-N189 PolarHBondContact O-N 2.95Å | ||
| 188 | F | 40.6 | Very low | 43 | Very low | 20 Ų | 20 | 94.6 Ų | 94.6 | 9% | 0.088 | 50% | 0.497 | C | S | . | . | trans | -96.6 | 87.6 | -171.6 | -79.5 | -101.1 | 0 | 0 | 0 | 113.1 | L185 S186 H206 Y355 | L185-F188 HydrophobicContact CD2-CD2 4.44Å; L185-F188 HydrophobicContact CD2-CE2 3.81Å; L185-F188 HydrophobicContact CD2-CZ 4.18Å; L185-F188 WeakPolarHBondContact O-CD2 3.34Å; S186-F188 PolarHBondContact O-N 2.76Å; F188-H206 HydrophobicContact CE1-CB 3.41Å; F188-H206 VanDerWaalsContact CE1-CB 3.41Å; F188-H206 AromaticContact CE1-CG 3.38Å; F188-H206 AromaticContact CE1-ND1 3.4Å; F188-H206 WeakPolarHBondContact CE1-ND1 3.38Å; F188-H206 HydrophobicContact CZ-CB 3.46Å; F188-H206 VanDerWaalsContact CZ-CB 3.46Å; F188-H206 AromaticContact CZ-CD2 3.52Å; F188-H206 AromaticContact CZ-CG 3.24Å; F188-H206 AromaticContact CZ-ND1 3.59Å; F188-Y355 HydrophobicContact CB-CE2 4.21Å; F188-Y355 AromaticContact CD1-CZ 3.84Å; F188-Y355 WeakPolarHBondContact CD1-OH 3.37Å | ||
| 189 | N | 38.9 | Very low | 43.2 | Very low | 149 Ų | 149 | 93.3 Ų | 93.3 | 80% | 0.797 | 50% | 0.495 | S | S | * | . | trans | -82.5 | 124.6 | 160 | -85.1 | -35.7 | 0 | 0 | 0 | 110.6 | D187 | D187-N189 PolarHBondContact O-N 2.95Š| ||
| 190 | F | 36.9 | Very low | 43.4 | Very low | 46 Ų | 46 | 90.9 Ų | 90.9 | 20% | 0.202 | 48% | 0.48 | C | S | . | . | trans | -131.6 | 83.6 | 178.6 | -157.2 | -52.2 | 0 | 0 | 0 | 109.9 | Y192 M195 N203 | F190-Y192 HydrophobicContact CB-CE2 4.47Å; F190-Y192 AromaticContact CD1-CD2 3.6Å; F190-Y192 HydrophobicContact CD1-CD2 3.6Å; F190-Y192 HydrophobicContact CD1-CE1 4.43Å; F190-Y192 AromaticContact CD1-CE2 3.17Å; F190-Y192 HydrophobicContact CD1-CE2 3.17Å; F190-Y192 HydrophobicContact CD1-CG 4.37Å; F190-Y192 AromaticContact CD1-CZ 3.64Å; F190-Y192 HydrophobicContact CE1-CD1 4.39Å; F190-Y192 HydrophobicContact CE1-CD2 4.01Å; F190-Y192 AromaticContact CE1-CE1 3.88Å; F190-Y192 HydrophobicContact CE1-CE1 3.88Å; F190-Y192 AromaticContact CE1-CE2 3.43Å; F190-Y192 HydrophobicContact CE1-CE2 3.43Å; F190-Y192 VanDerWaalsContact CE1-CE2 3.43Å; F190-Y192 HydrophobicContact CE1-CG 4.45Å; F190-Y192 AromaticContact CE1-CZ 3.33Å; F190-Y192 AromaticContact CG-CE2 3.91Å; F190-Y192 HydrophobicContact CG-CE2 3.91Å; F190-Y192 HydrophobicContact CZ-CE2 4.31Å; F190-Y192 AromaticContact CZ-CZ 3.95Å; F190-Y192 WeakPolarHBondContact O-CD2 3.47Å; F190-Y192 PolarHBondContact O-N 2.94Å; F190-M195 HydrophobicContact CE1-CE 4.21Å; F190-M195 HydrophobicContact CE1-CG 4.06Å; F190-M195 HydrophobicContact CE1-SD 3.68Å; F190-M195 HydrophobicContact CZ-CE 3.64Å; F190-M195 HydrophobicContact CZ-CG 4.42Å; F190-M195 HydrophobicContact CZ-SD 3.57Å; F190-M195 VanDerWaalsContact CZ-SD 3.57Å; F190-N203 WeakPolarHBondContact CD2-OD1 3.16Å; F190-N203 HydrophobicContact CE2-CB 4.29Å; F190-N203 WeakPolarHBondContact CE2-ND2 3.37Å; F190-N203 VanDerWaalsContact CE2-OD1 3.26Å; F190-N203 WeakPolarHBondContact CE2-OD1 3.4Å | ||
| 191 | C | 32.4 | Very low | 43.4 | Very low | 95 Ų | 95 | 86.3 Ų | 86.3 | 64% | 0.642 | 46% | 0.461 | S | S | * | . | trans | -72.4 | 113.9 | 175 | -68.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 192 | Y | 33.3 | Very low | 43.6 | Very low | 117 Ų | 117 | 84.1 Ų | 84.1 | 46% | 0.459 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 82.8 | 168.8 | -76.2 | -98.6 | 0 | 0 | 0 | 109.3 | F190 S362 | F190-Y192 HydrophobicContact CB-CE2 4.47Å; F190-Y192 AromaticContact CD1-CD2 3.6Å; F190-Y192 HydrophobicContact CD1-CD2 3.6Å; F190-Y192 HydrophobicContact CD1-CE1 4.43Å; F190-Y192 AromaticContact CD1-CE2 3.17Å; F190-Y192 HydrophobicContact CD1-CE2 3.17Å; F190-Y192 HydrophobicContact CD1-CG 4.37Å; F190-Y192 AromaticContact CD1-CZ 3.64Å; F190-Y192 HydrophobicContact CE1-CD1 4.39Å; F190-Y192 HydrophobicContact CE1-CD2 4.01Å; F190-Y192 AromaticContact CE1-CE1 3.88Å; F190-Y192 HydrophobicContact CE1-CE1 3.88Å; F190-Y192 AromaticContact CE1-CE2 3.43Å; F190-Y192 HydrophobicContact CE1-CE2 3.43Å; F190-Y192 VanDerWaalsContact CE1-CE2 3.43Å; F190-Y192 HydrophobicContact CE1-CG 4.45Å; F190-Y192 AromaticContact CE1-CZ 3.33Å; F190-Y192 AromaticContact CG-CE2 3.91Å; F190-Y192 HydrophobicContact CG-CE2 3.91Å; F190-Y192 HydrophobicContact CZ-CE2 4.31Å; F190-Y192 AromaticContact CZ-CZ 3.95Å; F190-Y192 WeakPolarHBondContact O-CD2 3.47Å; F190-Y192 PolarHBondContact O-N 2.94Å; Y192-S362 WeakPolarHBondContact CE1-OG 3.26Å; Y192-S362 WeakPolarHBondContact OH-CB 3.46Å; Y192-S362 PolarHBondContact OH-OG 2.83Å |
| 193 | P | 29.4 | Very low | 43.8 | Very low | 110 Ų | 110 | 84.2 Ų | 84.2 | 71% | 0.714 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | -140 | -8.7 | 114.3 | 28.1 | -10.7 | 0 | 0 | 0 | 115.9 | |||
| 194 | S | 35.3 | Very low | 44.1 | Very low | 92 Ų | 92 | 77.2 Ų | 77.2 | 64% | 0.643 | 43% | 0.428 | S | S | * | . | trans | -125.5 | 64 | -164.7 | 63.1 | 0 | 0 | 0 | 0 | 114.1 | N196 | S194-N196 PolarHBondContact O-N 3.48Å; S194-N196 VanDerWaalsContact O-N 3.17Å | ||
| 195 | M | 37.7 | Very low | 44.7 | Very low | 77 Ų | 77 | 77.9 Ų | 77.9 | 38% | 0.379 | 43% | 0.425 | S | S | . | . | trans | -77.9 | 96 | 172.4 | -72.7 | -162.6 | 78.1 | 0 | 0 | 111.7 | F190 S199 F200 | F190-M195 HydrophobicContact CE1-CE 4.21Å; F190-M195 HydrophobicContact CE1-CG 4.06Å; F190-M195 HydrophobicContact CE1-SD 3.68Å; F190-M195 HydrophobicContact CZ-CE 3.64Å; F190-M195 HydrophobicContact CZ-CG 4.42Å; F190-M195 HydrophobicContact CZ-SD 3.57Å; F190-M195 VanDerWaalsContact CZ-SD 3.57Å; M195-S199 WeakPolarHBondContact CA-OG 3.41Å; M195-F200 HydrophobicContact CE-CB 4.31Å; M195-F200 HydrophobicContact CE-CD2 4Å | ||
| 196 | N | 45.1 | Very low | 45.3 | Very low | 88 Ų | 88 | 79.1 Ų | 79.1 | 47% | 0.471 | 43% | 0.43 | S | S | . | . | trans | -77.5 | 171.8 | 164.1 | 84.1 | -19.3 | 0 | 0 | 0 | 111.2 | S194 D198 S199 F200 | S194-N196 PolarHBondContact O-N 3.48Å; S194-N196 VanDerWaalsContact O-N 3.17Å; N196-D198 VanDerWaalsContact C-N 3.3Å; N196-D198 PolarHBondContact ND2-OD2 2.96Å; N196-D198 PolarHBondContact O-N 2.8Å; N196-D198 PolarHBondContact OD1-N 3.19Å; N196-S199 PolarHBondContact N-OG 2.94Å; N196-S199 PolarHBondContact O-N 3.33Å; N196-S199 PolarHBondContact O-OG 3.22Å; N196-S199 WeakPolarHBondContact OD1-CB 3.29Å; N196-S199 PolarHBondContact OD1-N 2.94Å; N196-S199 PolarHBondContact OD1-OG 3.43Å; N196-F200 PolarHBondContact O-N 3.5Å | ||
| 197 | L | 45.6 | Very low | 46.1 | Very low | 101 Ų | 101 | 76 Ų | 76 | 53% | 0.529 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.5 | -36.6 | -177.1 | -172.9 | 61.2 | 0 | 0 | 0 | 112.7 | F200 Q201 | L197-F200 WeakPolarHBondContact O-CA 3.41Å; L197-F200 VanDerWaalsContact O-CB 3.32Å; L197-F200 WeakPolarHBondContact O-CB 3.19Å; L197-F200 PolarHBondContact O-N 2.93Å; L197-F200 VanDerWaalsContact O-N 3.12Å; L197-Q201 WeakPolarHBondContact O-CG 3.25Å; L197-Q201 PolarHBondContact O-N 3.45Å |
| 198 | D | 49.6 | Very low | 47.2 | Very low | 101 Ų | 101 | 71.2 Ų | 71.2 | 54% | 0.54 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -68.9 | -38.9 | -178.7 | -43.8 | -60.1 | 0 | 0 | 0 | 111.9 | N196 F200 Q201 S202 | N196-D198 VanDerWaalsContact C-N 3.3Å; N196-D198 PolarHBondContact ND2-OD2 2.96Å; N196-D198 PolarHBondContact O-N 2.8Å; N196-D198 PolarHBondContact OD1-N 3.19Å; D198-F200 PolarHBondContact O-N 3.33Å; D198-Q201 PolarHBondContact O-N 2.85Å; D198-Q201 VanDerWaalsContact O-N 3.14Å; D198-S202 PolarHBondContact O-N 3.36Å |
| 199 | S | 52.9 | Low | 48.2 | Very low | 30 Ų | 30 | 73.6 Ų | 73.6 | 21% | 0.21 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -60.4 | -35.8 | 171.2 | 79.4 | 0 | 0 | 0 | 0 | 111.3 | M195 N196 N203 | M195-S199 WeakPolarHBondContact CA-OG 3.41Å; N196-S199 PolarHBondContact N-OG 2.94Å; N196-S199 PolarHBondContact O-N 3.33Å; N196-S199 PolarHBondContact O-OG 3.22Å; N196-S199 WeakPolarHBondContact OD1-CB 3.29Å; N196-S199 PolarHBondContact OD1-N 2.94Å; N196-S199 PolarHBondContact OD1-OG 3.43Å; S199-N203 WeakPolarHBondContact O-CB 3.44Å; S199-N203 PolarHBondContact O-N 3Å; S199-N203 PolarHBondContact O-ND2 3.42Å |
| 200 | F | 50.8 | Low | 49.1 | Very low | 57 Ų | 57 | 66.9 Ų | 66.9 | 25% | 0.25 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -68.8 | -41.5 | 173.8 | -168.9 | -94.2 | 0 | 0 | 0 | 111.3 | M195 N196 L197 D198 N203 A204 L366 L396 L399 | M195-F200 HydrophobicContact CE-CB 4.31Å; M195-F200 HydrophobicContact CE-CD2 4Å; N196-F200 PolarHBondContact O-N 3.5Å; L197-F200 WeakPolarHBondContact O-CA 3.41Å; L197-F200 VanDerWaalsContact O-CB 3.32Å; L197-F200 WeakPolarHBondContact O-CB 3.19Å; L197-F200 PolarHBondContact O-N 2.93Å; L197-F200 VanDerWaalsContact O-N 3.12Å; D198-F200 PolarHBondContact O-N 3.33Å; F200-N203 PolarHBondContact O-N 3.11Å; F200-A204 WeakPolarHBondContact O-CB 3.26Å; F200-A204 PolarHBondContact O-N 3.48Å; F200-L366 HydrophobicContact CE2-CD2 4.07Å; F200-L396 HydrophobicContact CE1-CD2 3.89Å; F200-L396 HydrophobicContact CZ-CD2 4.01Å; F200-L399 HydrophobicContact CD1-CD1 4.48Å; F200-L399 HydrophobicContact CE1-CD1 4.04Å |
| 201 | Q | 53.6 | Low | 50.1 | Low | 75 Ų | 75 | 65 Ų | 65 | 35% | 0.35 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 175 | -60.7 | -157.7 | 1 | 0 | 0 | 113.1 | L197 D198 A204 K205 L399 | L197-Q201 WeakPolarHBondContact O-CG 3.25Å; L197-Q201 PolarHBondContact O-N 3.45Å; D198-Q201 PolarHBondContact O-N 2.85Å; D198-Q201 VanDerWaalsContact O-N 3.14Å; Q201-A204 PolarHBondContact O-N 3.45Å; Q201-K205 PolarHBondContact O-N 3.23Å; Q201-L399 HydrophobicContact CB-CD2 4.16Å; Q201-L399 HydrophobicContact CG-CD2 3.79Å |
| 202 | S | 55.3 | Low | 51.4 | Low | 61 Ų | 61 | 64.9 Ų | 64.9 | 43% | 0.427 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.9 | -50.3 | 176.7 | -176 | 0 | 0 | 0 | 0 | 111.1 | D198 A204 K205 H206 | D198-S202 PolarHBondContact O-N 3.36Å; S202-A204 VanDerWaalsContact C-N 3.28Å; S202-A204 PolarHBondContact O-N 2.75Å; S202-K205 PolarHBondContact O-N 3.36Å; S202-H206 PolarHBondContact O-N 3.46Å; S202-H206 PolarHBondContact O-ND1 3.35Å; S202-H206 VanDerWaalsContact O-ND1 3.15Å |
| 203 | N | 54.3 | Low | 52.3 | Low | 23 Ų | 23 | 61.1 Ų | 61.1 | 12% | 0.123 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.7 | -31 | 176.3 | -77 | -67.2 | 0 | 0 | 0 | 113.1 | F190 S199 F200 H206 I207 | F190-N203 WeakPolarHBondContact CD2-OD1 3.16Å; F190-N203 HydrophobicContact CE2-CB 4.29Å; F190-N203 WeakPolarHBondContact CE2-ND2 3.37Å; F190-N203 VanDerWaalsContact CE2-OD1 3.26Å; F190-N203 WeakPolarHBondContact CE2-OD1 3.4Å; S199-N203 WeakPolarHBondContact O-CB 3.44Å; S199-N203 PolarHBondContact O-N 3Å; S199-N203 PolarHBondContact O-ND2 3.42Å; F200-N203 PolarHBondContact O-N 3.11Å; N203-H206 PolarHBondContact O-N 3.31Å; N203-I207 WeakPolarHBondContact O-CD1 3.19Å; N203-I207 VanDerWaalsContact O-CG1 3.3Å; N203-I207 WeakPolarHBondContact O-CG1 3.33Å; N203-I207 PolarHBondContact O-N 3.01Å |
| 204 | A | 56.4 | Low | 53.5 | Low | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.008 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.8 | -42.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | F200 Q201 S202 H206 I207 H208 L399 I404 I408 | F200-A204 WeakPolarHBondContact O-CB 3.26Å; F200-A204 PolarHBondContact O-N 3.48Å; Q201-A204 PolarHBondContact O-N 3.45Å; S202-A204 VanDerWaalsContact C-N 3.28Å; S202-A204 PolarHBondContact O-N 2.75Å; A204-H206 VanDerWaalsContact C-N 3.29Å; A204-H206 PolarHBondContact O-N 3.22Å; A204-I207 PolarHBondContact O-N 3.11Å; A204-H208 PolarHBondContact O-N 3.4Å; A204-L399 HydrophobicContact CB-CD1 4Å; A204-L399 HydrophobicContact CB-CD2 4.13Å; A204-I404 HydrophobicContact CB-CG2 3.71Å; A204-I408 HydrophobicContact CB-CD1 3.89Å |
| 205 | K | 61.9 | Low | 54.5 | Low | 135 Ų | 135 | 58.1 Ų | 58.1 | 59% | 0.587 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -58.6 | -42.8 | 171.8 | -70 | 176.6 | 179.9 | 174.8 | 0 | 111.2 | Q201 S202 H208 T209 I404 | Q201-K205 PolarHBondContact O-N 3.23Å; S202-K205 PolarHBondContact O-N 3.36Å; K205-H208 VanDerWaalsContact O-CB 3.31Å; K205-H208 WeakPolarHBondContact O-CB 3.42Å; K205-H208 PolarHBondContact O-N 2.82Å; K205-T209 PolarHBondContact O-N 3.07Å; K205-T209 PolarHBondContact O-OG1 2.64Å; K205-I404 HydrophobicContact CG-CD1 3.85Å |
| 206 | H | 57.5 | Low | 55.1 | Low | 69 Ų | 69 | 59.8 Ų | 59.8 | 32% | 0.319 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -69.7 | -36.4 | -179.4 | -68.2 | 140.1 | 0 | 0 | 0 | 114.2 | F188 S202 N203 A204 H208 T209 I210 | F188-H206 HydrophobicContact CE1-CB 3.41Å; F188-H206 VanDerWaalsContact CE1-CB 3.41Å; F188-H206 AromaticContact CE1-CG 3.38Å; F188-H206 AromaticContact CE1-ND1 3.4Å; F188-H206 WeakPolarHBondContact CE1-ND1 3.38Å; F188-H206 HydrophobicContact CZ-CB 3.46Å; F188-H206 VanDerWaalsContact CZ-CB 3.46Å; F188-H206 AromaticContact CZ-CD2 3.52Å; F188-H206 AromaticContact CZ-CG 3.24Å; F188-H206 AromaticContact CZ-ND1 3.59Å; S202-H206 PolarHBondContact O-N 3.46Å; S202-H206 PolarHBondContact O-ND1 3.35Å; S202-H206 VanDerWaalsContact O-ND1 3.15Å; N203-H206 PolarHBondContact O-N 3.31Å; A204-H206 VanDerWaalsContact C-N 3.29Å; A204-H206 PolarHBondContact O-N 3.22Å; H206-H208 PolarHBondContact O-N 3.36Å; H206-T209 PolarHBondContact O-N 3.18Å; H206-T209 VanDerWaalsContact O-N 3.17Å; H206-I210 WeakPolarHBondContact O-CG1 3.45Å; H206-I210 PolarHBondContact O-N 3.01Å |
| 207 | I | 61 | Low | 55.3 | Low | 17 Ų | 17 | 59.8 Ų | 59.8 | 9% | 0.087 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.9 | -34.1 | 171.7 | -68.4 | 156.7 | 0 | 0 | 0 | 110.7 | N203 A204 I210 S211 V359 M363 I408 F411 | N203-I207 WeakPolarHBondContact O-CD1 3.19Å; N203-I207 VanDerWaalsContact O-CG1 3.3Å; N203-I207 WeakPolarHBondContact O-CG1 3.33Å; N203-I207 PolarHBondContact O-N 3.01Å; A204-I207 PolarHBondContact O-N 3.11Å; I207-I210 PolarHBondContact O-N 2.78Å; I207-S211 WeakPolarHBondContact O-CB 3.37Å; I207-S211 PolarHBondContact O-N 2.82Å; I207-V359 HydrophobicContact CG1-CG1 4.44Å; I207-M363 HydrophobicContact CD1-CE 3.77Å; I207-M363 HydrophobicContact CD1-SD 3.69Å; I207-M363 HydrophobicContact CG1-SD 4.45Å; I207-I408 HydrophobicContact CB-CG1 4.35Å; I207-I408 HydrophobicContact CG2-CG1 3.84Å; I207-F411 HydrophobicContact CG2-CB 4.1Å; I207-F411 HydrophobicContact CG2-CD1 3.95Å; I207-F411 HydrophobicContact CG2-CG 4Å |
| 208 | H | 63.6 | Low | 55.2 | Low | 32 Ų | 32 | 60.6 Ų | 60.6 | 15% | 0.148 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.8 | -45.3 | 172.1 | -173.1 | -23.4 | 0 | 0 | 0 | 111.9 | A204 K205 H206 I210 S211 E212 N403 I404 S407 | A204-H208 PolarHBondContact O-N 3.4Å; K205-H208 VanDerWaalsContact O-CB 3.31Å; K205-H208 WeakPolarHBondContact O-CB 3.42Å; K205-H208 PolarHBondContact O-N 2.82Å; H206-H208 PolarHBondContact O-N 3.36Å; H208-I210 PolarHBondContact O-N 2.88Å; H208-S211 WeakPolarHBondContact O-CB 3.47Å; H208-S211 PolarHBondContact O-N 3.08Å; H208-E212 IonicContact CE1-OE1 3.14Å; H208-E212 PolarHBondContact CE1-OE1 2.84Å; H208-E212 PolarHBondContact O-N 3.13Å; H208-N403 VanDerWaalsContact NE2-CB 3.34Å; H208-N403 WeakPolarHBondContact NE2-CB 3.18Å; H208-I404 HydrophobicContact CB-CG1 4.29Å; H208-S407 PolarHBondContact ND1-OG 2.99Å |
| 209 | T | 60.9 | Low | 54.9 | Low | 69 Ų | 69 | 64.2 Ų | 64.2 | 42% | 0.423 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.2 | -43 | 177 | -47.8 | 0 | 0 | 0 | 0 | 112.2 | K205 H206 E212 M213 | K205-T209 PolarHBondContact O-N 3.07Å; K205-T209 PolarHBondContact O-OG1 2.64Å; H206-T209 PolarHBondContact O-N 3.18Å; H206-T209 VanDerWaalsContact O-N 3.17Å; T209-E212 PolarHBondContact O-N 2.85Å; T209-M213 WeakPolarHBondContact O-CG 3.41Å; T209-M213 PolarHBondContact O-N 3.18Å |
| 210 | I | 57.2 | Low | 54.1 | Low | 8 Ų | 8 | 69.6 Ų | 69.6 | 4% | 0.041 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.4 | -39.1 | 176.4 | -63.7 | 170.4 | 0 | 0 | 0 | 110.7 | L185 H206 I207 H208 M213 L214 Y355 I356 F411 | L185-I210 HydrophobicContact CD2-CD1 4.08Å; L185-I210 HydrophobicContact CD2-CG1 4Å; H206-I210 WeakPolarHBondContact O-CG1 3.45Å; H206-I210 PolarHBondContact O-N 3.01Å; I207-I210 PolarHBondContact O-N 2.78Å; H208-I210 PolarHBondContact O-N 2.88Å; I210-M213 PolarHBondContact O-N 3.11Å; I210-L214 HydrophobicContact CG2-CD1 4.02Å; I210-L214 WeakPolarHBondContact O-CG 3.46Å; I210-L214 PolarHBondContact O-N 3.19Å; I210-Y355 HydrophobicContact CD1-CE1 3.98Å; I210-I356 HydrophobicContact CG2-CD1 3.82Å; I210-I356 HydrophobicContact CG2-CG1 4.11Å; I210-F411 HydrophobicContact CG2-CE2 3.75Å; I210-F411 HydrophobicContact CG2-CZ 4.33Å |
| 211 | S | 58 | Low | 53.4 | Low | 7 Ų | 7 | 74 Ų | 74 | 5% | 0.049 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62 | -42.9 | 175.3 | -177 | 0 | 0 | 0 | 0 | 112 | I207 H208 L214 H215 | I207-S211 WeakPolarHBondContact O-CB 3.37Å; I207-S211 PolarHBondContact O-N 2.82Å; H208-S211 WeakPolarHBondContact O-CB 3.47Å; H208-S211 PolarHBondContact O-N 3.08Å; S211-L214 PolarHBondContact O-N 3.27Å; S211-H215 WeakPolarHBondContact O-CB 3.42Å; S211-H215 PolarHBondContact O-N 3.04Å |
| 212 | E | 60.4 | Low | 52.9 | Low | 92 Ų | 92 | 73.2 Ų | 73.2 | 43% | 0.43 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.6 | -45 | 173.4 | -76 | -173.2 | 139.5 | 0 | 0 | 112.4 | H208 T209 L214 H215 N216 | H208-E212 IonicContact CE1-OE1 3.14Å; H208-E212 PolarHBondContact CE1-OE1 2.84Å; H208-E212 PolarHBondContact O-N 3.13Å; T209-E212 PolarHBondContact O-N 2.85Å; E212-L214 PolarHBondContact O-N 3.01Å; E212-H215 PolarHBondContact O-N 3.2Å; E212-N216 VanDerWaalsContact O-CB 3.26Å; E212-N216 WeakPolarHBondContact O-CB 3.17Å; E212-N216 PolarHBondContact O-N 3.42Å; E212-N216 PolarHBondContact O-ND2 3.13Å |
| 213 | M | 52.7 | Low | 52.6 | Low | 38 Ų | 38 | 75.1 Ų | 75.1 | 19% | 0.187 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -58.7 | -32 | 175.6 | -73.4 | 179.4 | 66.9 | 0 | 0 | 112.4 | H181 L185 T209 I210 | H181-M213 HydrophobicContact CB-CE 3.76Å; H181-M213 HydrophobicContact CB-SD 4.1Å; L185-M213 HydrophobicContact CD1-CE 4.27Å; L185-M213 HydrophobicContact CD1-SD 4.29Å; T209-M213 WeakPolarHBondContact O-CG 3.41Å; T209-M213 PolarHBondContact O-N 3.18Å; I210-M213 PolarHBondContact O-N 3.11Å |
| 214 | L | 53.4 | Low | 52.4 | Low | 42 Ų | 42 | 75 Ų | 75 | 22% | 0.22 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -83.7 | -34.3 | 177.2 | -69.4 | 170.3 | 0 | 0 | 0 | 113.6 | I210 S211 E212 H218 F411 L418 | I210-L214 HydrophobicContact CG2-CD1 4.02Å; I210-L214 WeakPolarHBondContact O-CG 3.46Å; I210-L214 PolarHBondContact O-N 3.19Å; S211-L214 PolarHBondContact O-N 3.27Å; E212-L214 PolarHBondContact O-N 3.01Å; L214-H218 PolarHBondContact O-CD2 3.3Å; L214-H218 VanDerWaalsContact O-CD2 3.31Å; L214-F411 HydrophobicContact CD1-CD2 4.26Å; L214-F411 HydrophobicContact CD1-CE2 3.89Å; L214-L418 HydrophobicContact CD2-CD1 4.24Å; L214-L418 HydrophobicContact CD2-CD2 4Å; L214-L418 HydrophobicContact CD2-CG 3.92Å |
| 215 | H | 56 | Low | 52.2 | Low | 97 Ų | 97 | 76.9 Ų | 76.9 | 45% | 0.449 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -77.1 | -46.5 | 177.4 | -92.9 | 57.5 | 0 | 0 | 0 | 112.6 | S211 E212 H217 H218 S410 | S211-H215 WeakPolarHBondContact O-CB 3.42Å; S211-H215 PolarHBondContact O-N 3.04Å; E212-H215 PolarHBondContact O-N 3.2Å; H215-H217 PolarHBondContact O-N 3.49Å; H215-H217 VanDerWaalsContact O-N 3.1Å; H215-H218 PolarHBondContact O-N 3.09Å; H215-H218 VanDerWaalsContact O-N 3.09Å; H215-S410 PolarHBondContact CE1-OG 3.38Å; H215-S410 PolarHBondContact NE2-OG 3.26Å |
| 216 | N | 50.6 | Low | 52.2 | Low | 112 Ų | 112 | 75.1 Ų | 75.1 | 60% | 0.599 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -65.5 | -17.7 | -175.6 | -68.8 | -27.3 | 0 | 0 | 0 | 113.2 | E212 | E212-N216 VanDerWaalsContact O-CB 3.26Å; E212-N216 WeakPolarHBondContact O-CB 3.17Å; E212-N216 PolarHBondContact O-N 3.42Å; E212-N216 PolarHBondContact O-ND2 3.13Å |
| 217 | H | 49.4 | Very low | 53 | Low | 89 Ų | 89 | 72.3 Ų | 72.3 | 41% | 0.412 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -86.2 | -4 | 175.8 | -98.1 | -68.1 | 0 | 0 | 0 | 115.6 | F178 H215 H219 | F178-H217 AromaticContact CD2-NE2 3.52Å; H215-H217 PolarHBondContact O-N 3.49Å; H215-H217 VanDerWaalsContact O-N 3.1Å; H217-H219 VanDerWaalsContact C-N 3.27Å; H217-H219 PolarHBondContact O-N 2.89Å |
| 218 | H | 44.7 | Very low | 54 | Low | 117 Ų | 117 | 74.2 Ų | 74.2 | 54% | 0.542 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -76.6 | -6.9 | 176.3 | -85.3 | -67.1 | 0 | 0 | 0 | 114.8 | L214 H215 T417 | L214-H218 PolarHBondContact O-CD2 3.3Å; L214-H218 VanDerWaalsContact O-CD2 3.31Å; H215-H218 PolarHBondContact O-N 3.09Å; H215-H218 VanDerWaalsContact O-N 3.09Å; H218-T417 PolarHBondContact NE2-OG1 2.83Å |
| 219 | H | 41.7 | Very low | 55 | Low | 177 Ų | 177 | 76.9 Ų | 76.9 | 82% | 0.819 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -121.9 | 8.5 | -173.5 | -86.4 | -70.4 | 0 | 0 | 0 | 116.5 | H217 | H217-H219 VanDerWaalsContact C-N 3.27Å; H217-H219 PolarHBondContact O-N 2.89Å |
| 220 | H | 37.4 | Very low | 56.2 | Low | 143 Ų | 143 | 77.4 Ų | 77.4 | 66% | 0.662 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -129.7 | 134.6 | 172 | -82.4 | -57.7 | 0 | 0 | 0 | 112.3 | A222 | H220-A222 VanDerWaalsContact C-N 3.26Å; H220-A222 PolarHBondContact O-N 2.77Å |
| 221 | D | 36.1 | Very low | 57.7 | Low | 151 Ų | 151 | 77.8 Ų | 77.8 | 81% | 0.807 | 42% | 0.423 | S | S | * | . | trans | -67.3 | 73.6 | -179.5 | -76.9 | -62.2 | 0 | 0 | 0 | 113.3 | T223 | D221-T223 HydrophobicContact CB-CG2 4.19Å; D221-T223 PolarHBondContact O-N 2.67Å | ||
| 222 | A | 43 | Very low | 59.2 | Low | 57 Ų | 57 | 81.1 Ų | 81.1 | 47% | 0.471 | 43% | 0.434 | S | S | . | . | trans | -72.4 | 55.1 | 165 | 0 | 0 | 0 | 0 | 0 | 110.7 | H220 M224 | H220-A222 VanDerWaalsContact C-N 3.26Å; H220-A222 PolarHBondContact O-N 2.77Å; A222-M224 PolarHBondContact O-N 3.06Å | ||
| 223 | T | 48.9 | Very low | 60.7 | Low | 102 Ų | 102 | 81.6 Ų | 81.6 | 63% | 0.626 | 43% | 0.432 | S | S | * | . | trans | -66.6 | 97.6 | -179.7 | 54.1 | 0 | 0 | 0 | 0 | 110.1 | D221 P225 | D221-T223 HydrophobicContact CB-CG2 4.19Å; D221-T223 PolarHBondContact O-N 2.67Å; T223-P225 VanDerWaalsContact O-N 3.13Å | ||
| 224 | M | 49 | Very low | 62.6 | Low | 19 Ų | 19 | 80.3 Ų | 80.3 | 9% | 0.094 | 43% | 0.426 | C | S | . | . | trans | -52 | 119.2 | 174.5 | -150.6 | -72.4 | 152.1 | 0 | 0 | 108.7 | I171 A222 T226 I421 | I171-M224 HydrophobicContact CD1-CE 4.21Å; I171-M224 HydrophobicContact CG1-CE 4.12Å; I171-M224 HydrophobicContact CG2-CE 3.79Å; A222-M224 PolarHBondContact O-N 3.06Å; M224-T226 PolarHBondContact O-N 2.54Å; M224-I421 HydrophobicContact CB-CB 4.17Å; M224-I421 HydrophobicContact CB-CG2 3.83Å; M224-I421 HydrophobicContact CG-CB 4.45Å | ||
| 225 | P | 53.1 | Low | 64.5 | Low | 41 Ų | 41 | 78.4 Ų | 78.4 | 27% | 0.266 | 42% | 0.416 | S | S | . | . | trans | -54.8 | 115.1 | -158.1 | 13.9 | -30.1 | 0 | 0 | 0 | 112.3 | I171 T174 T223 V227 | I171-P225 HydrophobicContact CG1-CG 4.28Å; T174-P225 HydrophobicContact CG2-CG 4.25Å; T223-P225 VanDerWaalsContact O-N 3.13Å; P225-V227 PolarHBondContact O-N 2.83Å | ||
| 226 | T | 61.7 | Low | 66.3 | Low | 99 Ų | 99 | 76.3 Ų | 76.3 | 61% | 0.607 | 41% | 0.408 | S | S | * | . | P | Polyproline II helix | trans | -63.8 | 125.3 | -169.8 | 71.5 | 0 | 0 | 0 | 0 | 110.6 | M224 S228 | M224-T226 PolarHBondContact O-N 2.54Å; T226-S228 PolarHBondContact O-N 3.2Å; T226-S228 VanDerWaalsContact O-N 3.09Å |
| 227 | V | 74.2 | Confident | 68.3 | Low | 9 Ų | 9 | 71.7 Ų | 71.7 | 6% | 0.055 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -57.1 | 120.6 | -176.6 | -175.6 | 0 | 0 | 0 | 0 | 109.5 | L167 P225 S229 I231 R232 L273 N426 | L167-V227 HydrophobicContact CD1-CG1 4.17Å; L167-V227 HydrophobicContact CD1-CG2 4.03Å; P225-V227 PolarHBondContact O-N 2.83Å; V227-S229 PolarHBondContact O-N 3.34Å; V227-I231 HydrophobicContact CG1-CB 4.09Å; V227-I231 HydrophobicContact CG1-CG2 3.98Å; V227-R232 HydrophobicContact CG1-CB 4.2Å; V227-R232 PolarHBondContact O-NH1 3.4Å; V227-R232 PolarHBondContact O-NH2 3.33Å; V227-R232 VanDerWaalsContact O-NH2 3.1Å; V227-L273 HydrophobicContact CG2-CD2 3.49Å; V227-L273 VanDerWaalsContact CG2-CD2 3.49Å; V227-N426 WeakPolarHBondContact CG2-OD1 3.43Å |
| 228 | S | 82.5 | Confident | 70.4 | Confident | 57 Ų | 57 | 67.5 Ų | 67.5 | 40% | 0.399 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -47.2 | 137.1 | 178.6 | 169.3 | 0 | 0 | 0 | 0 | 111 | T226 V230 I231 R232 | T226-S228 PolarHBondContact O-N 3.2Å; T226-S228 VanDerWaalsContact O-N 3.09Å; S228-V230 PolarHBondContact O-N 2.82Å; S228-V230 VanDerWaalsContact O-N 3.13Å; S228-V230 PolarHBondContact OG-N 2.8Å; S228-I231 PolarHBondContact O-N 2.94Å; S228-I231 VanDerWaalsContact O-N 3.1Å; S228-R232 WeakPolarHBondContact O-CB 3.47Å; S228-R232 PolarHBondContact O-N 3.13Å |
| 229 | S | 83.9 | Confident | 72.8 | Confident | 89 Ų | 89 | 62 Ų | 62 | 62% | 0.622 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -53.7 | -33.7 | 178.7 | 56.9 | 0 | 0 | 0 | 0 | 112.1 | V227 R233 | V227-S229 PolarHBondContact O-N 3.34Å; S229-R233 VanDerWaalsContact O-CB 3.26Å; S229-R233 WeakPolarHBondContact O-CB 3.31Å; S229-R233 PolarHBondContact O-N 3.15Å |
| 230 | V | 87 | Confident | 75.2 | Confident | 79 Ų | 79 | 57.8 Ų | 57.8 | 48% | 0.479 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.4 | -53.9 | 175.7 | -177.4 | 0 | 0 | 0 | 0 | 111.2 | S228 R232 R233 N234 | S228-V230 PolarHBondContact O-N 2.82Å; S228-V230 VanDerWaalsContact O-N 3.13Å; S228-V230 PolarHBondContact OG-N 2.8Å; V230-R232 VanDerWaalsContact C-N 3.33Å; V230-R232 PolarHBondContact O-N 2.82Å; V230-R233 WeakPolarHBondContact O-CB 3.36Å; V230-R233 PolarHBondContact O-N 3.45Å; V230-N234 WeakPolarHBondContact O-CB 3.31Å; V230-N234 PolarHBondContact O-N 2.98Å; V230-N234 PolarHBondContact O-ND2 3.38Å; V230-N234 PolarHBondContact O-OD1 3.34Å |
| 231 | I | 89.1 | Confident | 77.9 | Confident | 16 Ų | 16 | 51 Ų | 51 | 8% | 0.082 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.7 | -44.6 | 178.3 | -61 | 176.2 | 0 | 0 | 0 | 109.9 | L166 V227 S228 R233 N234 L235 | L166-I231 HydrophobicContact CB-CD1 4.2Å; V227-I231 HydrophobicContact CG1-CB 4.09Å; V227-I231 HydrophobicContact CG1-CG2 3.98Å; S228-I231 PolarHBondContact O-N 2.94Å; S228-I231 VanDerWaalsContact O-N 3.1Å; I231-R233 PolarHBondContact O-N 3.29Å; I231-N234 PolarHBondContact O-N 3.43Å; I231-L235 HydrophobicContact CG2-CD1 3.87Å; I231-L235 HydrophobicContact CG2-CG 4.25Å; I231-L235 WeakPolarHBondContact O-CB 3.38Å; I231-L235 WeakPolarHBondContact O-CG 3.46Å; I231-L235 PolarHBondContact O-N 2.93Å |
| 232 | R | 89.1 | Confident | 80.6 | Confident | 77 Ų | 77 | 43.8 Ų | 43.8 | 29% | 0.291 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -58.3 | -44.9 | 175.9 | -174 | -178.4 | -70.6 | 117.1 | -0.2 | 111.3 | V227 S228 V230 N236 L429 | V227-R232 HydrophobicContact CG1-CB 4.2Å; V227-R232 PolarHBondContact O-NH1 3.4Å; V227-R232 PolarHBondContact O-NH2 3.33Å; V227-R232 VanDerWaalsContact O-NH2 3.1Å; S228-R232 WeakPolarHBondContact O-CB 3.47Å; S228-R232 PolarHBondContact O-N 3.13Å; V230-R232 VanDerWaalsContact C-N 3.33Å; V230-R232 PolarHBondContact O-N 2.82Å; R232-N236 PolarHBondContact O-N 3.4Å; R232-N236 VanDerWaalsContact O-N 3.13Å; R232-N236 PolarHBondContact O-ND2 3.06Å; R232-L429 HydrophobicContact CG-CD2 4.44Å |
| 233 | R | 90.8 | Very high | 83 | Confident | 102 Ų | 102 | 42.2 Ų | 42.2 | 39% | 0.385 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.3 | -47.5 | 176.4 | -173.1 | -159.3 | 71.1 | 156.2 | 1.8 | 111.4 | S229 V230 I231 N236 I237 | S229-R233 VanDerWaalsContact O-CB 3.26Å; S229-R233 WeakPolarHBondContact O-CB 3.31Å; S229-R233 PolarHBondContact O-N 3.15Å; V230-R233 WeakPolarHBondContact O-CB 3.36Å; V230-R233 PolarHBondContact O-N 3.45Å; I231-R233 PolarHBondContact O-N 3.29Å; R233-N236 WeakPolarHBondContact O-CB 3.37Å; R233-N236 PolarHBondContact O-N 2.92Å; R233-I237 HydrophobicContact CG-CD1 4.17Å; R233-I237 WeakPolarHBondContact O-CD1 3.2Å; R233-I237 WeakPolarHBondContact O-CG1 3.3Å; R233-I237 PolarHBondContact O-N 3.17Å; R233-I237 VanDerWaalsContact O-N 3.15Å |
| 234 | N | 93.2 | Very high | 85 | Confident | 12 Ų | 12 | 38.7 Ų | 38.7 | 6% | 0.064 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.1 | -46.4 | -176.7 | -64.4 | -8.1 | 0 | 0 | 0 | 111.6 | L127 Q163 V230 I231 N236 I237 I238 | L127-N234 HydrophobicContact CD1-CB 4.37Å; Q163-N234 HydrophobicContact CG-CB 4.1Å; Q163-N234 PolarHBondContact OE1-ND2 2.97Å; V230-N234 WeakPolarHBondContact O-CB 3.31Å; V230-N234 PolarHBondContact O-N 2.98Å; V230-N234 PolarHBondContact O-ND2 3.38Å; V230-N234 PolarHBondContact O-OD1 3.34Å; I231-N234 PolarHBondContact O-N 3.43Å; N234-N236 VanDerWaalsContact C-N 3.32Å; N234-N236 PolarHBondContact O-N 2.89Å; N234-I237 PolarHBondContact O-N 3.09Å; N234-I237 VanDerWaalsContact O-N 3.12Å; N234-I238 WeakPolarHBondContact O-CD1 3.4Å; N234-I238 WeakPolarHBondContact O-CG1 3.23Å; N234-I238 PolarHBondContact O-N 2.79Å |
| 235 | L | 93.5 | Very high | 87 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.5 | -42 | 173.3 | -74 | 174.4 | 0 | 0 | 0 | 111.8 | L160 Q163 I231 I237 I238 L239 L269 L429 | L160-L235 HydrophobicContact CD1-CD2 4.03Å; Q163-L235 HydrophobicContact CB-CD2 3.59Å; Q163-L235 HydrophobicContact CB-CG 4.04Å; Q163-L235 HydrophobicContact CG-CD2 4.29Å; I231-L235 HydrophobicContact CG2-CD1 3.87Å; I231-L235 HydrophobicContact CG2-CG 4.25Å; I231-L235 WeakPolarHBondContact O-CB 3.38Å; I231-L235 WeakPolarHBondContact O-CG 3.46Å; I231-L235 PolarHBondContact O-N 2.93Å; L235-I237 VanDerWaalsContact C-N 3.3Å; L235-I237 PolarHBondContact O-N 3.32Å; L235-I238 PolarHBondContact O-N 2.67Å; L235-L239 VanDerWaalsContact O-CB 3.29Å; L235-L239 WeakPolarHBondContact O-CB 3.42Å; L235-L239 WeakPolarHBondContact O-CG 3.45Å; L235-L239 PolarHBondContact O-N 3.32Å; L235-L269 HydrophobicContact CD1-CD2 4.23Å; L235-L269 HydrophobicContact CD2-CD1 4.08Å; L235-L269 HydrophobicContact CD2-CD2 4.42Å; L235-L429 HydrophobicContact CB-CD1 4.18Å; L235-L429 HydrophobicContact CD1-CD2 4.24Å |
| 236 | N | 92.7 | Very high | 88.6 | Confident | 53 Ų | 53 | 35.9 Ų | 35.9 | 28% | 0.283 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -57.7 | -41.4 | 175 | -89.6 | -86 | 0 | 0 | 0 | 112.2 | R232 R233 N234 H240 L432 | R232-N236 PolarHBondContact O-N 3.4Å; R232-N236 VanDerWaalsContact O-N 3.13Å; R232-N236 PolarHBondContact O-ND2 3.06Å; R233-N236 WeakPolarHBondContact O-CB 3.37Å; R233-N236 PolarHBondContact O-N 2.92Å; N234-N236 VanDerWaalsContact C-N 3.32Å; N234-N236 PolarHBondContact O-N 2.89Å; N236-H240 PolarHBondContact O-N 3.23Å; N236-H240 PolarHBondContact O-ND1 3.07Å; N236-L432 HydrophobicContact CB-CD2 4.3Å; N236-L432 VanDerWaalsContact OD1-CD2 3.25Å; N236-L432 WeakPolarHBondContact OD1-CD2 3.46Å |
| 237 | I | 93.2 | Very high | 89.5 | Confident | 16 Ų | 16 | 32.3 Ų | 32.3 | 8% | 0.082 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.9 | -49.3 | 179.2 | -62.9 | 156.4 | 0 | 0 | 0 | 110.7 | L127 H130 Q131 R233 N234 L235 H240 M241 | L127-I237 HydrophobicContact CD2-CG2 4.47Å; H130-I237 HydrophobicContact CB-CG2 3.76Å; Q131-I237 HydrophobicContact CG-CB 4.5Å; Q131-I237 HydrophobicContact CG-CD1 3.49Å; Q131-I237 VanDerWaalsContact CG-CD1 3.49Å; Q131-I237 HydrophobicContact CG-CG1 3.66Å; Q131-I237 HydrophobicContact CG-CG2 3.98Å; R233-I237 HydrophobicContact CG-CD1 4.17Å; R233-I237 WeakPolarHBondContact O-CD1 3.2Å; R233-I237 WeakPolarHBondContact O-CG1 3.3Å; R233-I237 PolarHBondContact O-N 3.17Å; R233-I237 VanDerWaalsContact O-N 3.15Å; N234-I237 PolarHBondContact O-N 3.09Å; N234-I237 VanDerWaalsContact O-N 3.12Å; L235-I237 VanDerWaalsContact C-N 3.3Å; L235-I237 PolarHBondContact O-N 3.32Å; I237-H240 PolarHBondContact O-N 2.76Å; I237-M241 PolarHBondContact O-N 3.35Å; I237-M241 VanDerWaalsContact O-N 3.08Å |
| 238 | I | 94.6 | Very high | 89.2 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.5 | -43.9 | -176.3 | -65.5 | 162.1 | 0 | 0 | 0 | 111 | L127 T156 L159 L160 Q163 N234 L235 H240 M241 I242 | L127-I238 HydrophobicContact CD2-CD1 4.41Å; L127-I238 HydrophobicContact CD2-CG1 4.31Å; T156-I238 HydrophobicContact CG2-CG2 4.08Å; L159-I238 HydrophobicContact CB-CD1 3.93Å; L159-I238 HydrophobicContact CB-CG1 4.39Å; L160-I238 HydrophobicContact CB-CG2 3.88Å; L160-I238 HydrophobicContact CD1-CG2 3.98Å; L160-I238 HydrophobicContact CG-CG2 4.46Å; Q163-I238 HydrophobicContact CG-CD1 3.66Å; N234-I238 WeakPolarHBondContact O-CD1 3.4Å; N234-I238 WeakPolarHBondContact O-CG1 3.23Å; N234-I238 PolarHBondContact O-N 2.79Å; L235-I238 PolarHBondContact O-N 2.67Å; I238-H240 PolarHBondContact O-N 3.16Å; I238-M241 PolarHBondContact O-N 2.88Å; I238-I242 HydrophobicContact CG2-CD1 3.9Å; I238-I242 WeakPolarHBondContact O-CG1 3.32Å; I238-I242 PolarHBondContact O-N 3.4Å |
| 239 | L | 94.3 | Very high | 88.3 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65 | -37.9 | 178.5 | -68.3 | 171.9 | 0 | 0 | 0 | 112.6 | L235 I242 C243 L266 L429 L432 L433 T436 | L235-L239 VanDerWaalsContact O-CB 3.29Å; L235-L239 WeakPolarHBondContact O-CB 3.42Å; L235-L239 WeakPolarHBondContact O-CG 3.45Å; L235-L239 PolarHBondContact O-N 3.32Å; L239-I242 PolarHBondContact O-N 3.26Å; L239-C243 PolarHBondContact O-N 2.98Å; L239-C243 PolarHBondContact O-SG 2.9Å; L239-L266 HydrophobicContact CD2-CD2 3.48Å; L239-L266 VanDerWaalsContact CD2-CD2 3.48Å; L239-L429 HydrophobicContact CD1-CD1 4.08Å; L239-L432 HydrophobicContact CB-CD2 3.92Å; L239-L432 HydrophobicContact CB-CG 4.04Å; L239-L432 HydrophobicContact CD1-CD2 4.12Å; L239-L432 HydrophobicContact CD1-CG 4.18Å; L239-L433 HydrophobicContact CD1-CB 4.36Å; L239-L433 HydrophobicContact CD1-CD1 3.93Å; L239-L433 HydrophobicContact CD2-CD1 3.78Å; L239-T436 HydrophobicContact CD2-CG2 3.94Å |
| 240 | H | 92.9 | Very high | 87.7 | Confident | 89 Ų | 89 | 31.8 Ų | 31.8 | 41% | 0.412 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -65.8 | -40.3 | 172.9 | -79.1 | 91.6 | 0 | 0 | 0 | 112.2 | N236 I237 I238 C243 L244 | N236-H240 PolarHBondContact O-N 3.23Å; N236-H240 PolarHBondContact O-ND1 3.07Å; I237-H240 PolarHBondContact O-N 2.76Å; I238-H240 PolarHBondContact O-N 3.16Å; H240-C243 WeakPolarHBondContact O-CB 3.45Å; H240-C243 PolarHBondContact O-N 2.68Å; H240-L244 WeakPolarHBondContact O-CG 3.36Å; H240-L244 PolarHBondContact O-N 3.21Å |
| 241 | M | 93.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.1 | -42.1 | 175.5 | -73.6 | -69.6 | -70.4 | 0 | 0 | 112.1 | F109 H130 L133 C134 F143 T156 I237 I238 C243 L244 Y245 | F109-M241 HydrophobicContact CE1-CE 4.42Å; H130-M241 HydrophobicContact CB-CG 4.08Å; L133-M241 HydrophobicContact CB-CE 3.65Å; L133-M241 HydrophobicContact CB-SD 3.78Å; L133-M241 HydrophobicContact CD1-CE 3.84Å; L133-M241 HydrophobicContact CG-CE 4.4Å; C134-M241 HydrophobicContact CB-SD 4.48Å; C134-M241 VanDerWaalsContact SG-CG 3.52Å; C134-M241 VanDerWaalsContact SG-SD 3.65Å; F143-M241 HydrophobicContact CE1-CE 4.42Å; F143-M241 HydrophobicContact CE1-SD 4.46Å; F143-M241 HydrophobicContact CZ-CE 3.86Å; F143-M241 HydrophobicContact CZ-SD 3.88Å; T156-M241 HydrophobicContact CG2-CB 4.13Å; I237-M241 PolarHBondContact O-N 3.35Å; I237-M241 VanDerWaalsContact O-N 3.08Å; I238-M241 PolarHBondContact O-N 2.88Å; M241-C243 VanDerWaalsContact C-N 3.34Å; M241-C243 PolarHBondContact O-N 3.36Å; M241-L244 PolarHBondContact O-N 2.71Å; M241-L244 VanDerWaalsContact O-N 3.17Å; M241-L244 HydrophobicContact SD-CD1 4.45Å; M241-Y245 HydrophobicContact CE-CE1 3.72Å; M241-Y245 WeakPolarHBondContact CE-OH 3.45Å; M241-Y245 VanDerWaalsContact O-CG 3.23Å; M241-Y245 PolarHBondContact O-N 2.95Å |
| 242 | I | 93.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.6 | -41.9 | 173.9 | -70 | 169.5 | 0 | 0 | 0 | 111.3 | T156 L160 I238 L239 A246 L257 V262 T436 L440 | T156-I242 HydrophobicContact CG2-CG1 4.12Å; L160-I242 HydrophobicContact CD2-CD1 3.93Å; I238-I242 HydrophobicContact CG2-CD1 3.9Å; I238-I242 WeakPolarHBondContact O-CG1 3.32Å; I238-I242 PolarHBondContact O-N 3.4Å; L239-I242 PolarHBondContact O-N 3.26Å; I242-A246 PolarHBondContact O-N 2.88Å; I242-L257 HydrophobicContact CG1-CD2 4.24Å; I242-L257 HydrophobicContact CG2-CD1 4.26Å; I242-L257 HydrophobicContact CG2-CD2 4.5Å; I242-V262 HydrophobicContact CD1-CG1 4.34Å; I242-T436 HydrophobicContact CB-CG2 4.2Å; I242-T436 HydrophobicContact CG2-CG2 3.62Å; I242-L440 HydrophobicContact CG2-CD1 3.81Å; I242-L440 HydrophobicContact CG2-CD2 4.21Å; I242-L440 HydrophobicContact CG2-CG 4.3Å |
| 243 | C | 91.6 | Very high | 87.3 | Confident | 24 Ų | 24 | 29.1 Ų | 29.1 | 16% | 0.162 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.8 | -44.3 | 172.7 | -68.5 | 0 | 0 | 0 | 0 | 112.2 | L239 H240 M241 A246 S247 T436 | L239-C243 PolarHBondContact O-N 2.98Å; L239-C243 PolarHBondContact O-SG 2.9Å; H240-C243 WeakPolarHBondContact O-CB 3.45Å; H240-C243 PolarHBondContact O-N 2.68Å; M241-C243 VanDerWaalsContact C-N 3.34Å; M241-C243 PolarHBondContact O-N 3.36Å; C243-A246 PolarHBondContact O-N 2.63Å; C243-S247 WeakPolarHBondContact O-CB 3.29Å; C243-S247 PolarHBondContact O-N 2.83Å; C243-S247 PolarHBondContact O-OG 3.36Å; C243-T436 PolarHBondContact SG-OG1 3.41Å; C243-T436 VanDerWaalsContact SG-OG1 3.4Å |
| 244 | L | 91.3 | Very high | 87.2 | Confident | 27 Ų | 27 | 24.3 Ų | 24.3 | 14% | 0.141 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67.4 | -36.6 | -179.5 | -71.6 | 170.2 | 0 | 0 | 0 | 112.6 | C134 P138 F143 H240 M241 A246 S247 | C134-L244 HydrophobicContact CB-CD1 4.5Å; P138-L244 HydrophobicContact CG-CD2 3.99Å; F143-L244 HydrophobicContact CD1-CB 3.91Å; F143-L244 HydrophobicContact CE1-CB 3.5Å; F143-L244 VanDerWaalsContact CE1-CB 3.5Å; F143-L244 HydrophobicContact CE1-CD1 4.29Å; F143-L244 HydrophobicContact CE1-CG 4.49Å; F143-L244 HydrophobicContact CZ-CB 4.34Å; F143-L244 HydrophobicContact CZ-CD1 4.34Å; H240-L244 WeakPolarHBondContact O-CG 3.36Å; H240-L244 PolarHBondContact O-N 3.21Å; M241-L244 PolarHBondContact O-N 2.71Å; M241-L244 VanDerWaalsContact O-N 3.17Å; M241-L244 HydrophobicContact SD-CD1 4.45Å; L244-A246 VanDerWaalsContact C-N 3.29Å; L244-A246 PolarHBondContact O-N 3.5Å; L244-S247 PolarHBondContact O-N 3.07Å |
| 245 | Y | 91.3 | Very high | 87 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.9 | -33.2 | 174 | -65.7 | -18.9 | 0 | 0 | 0 | 113 | F109 F143 A147 I153 T156 M241 N253 L257 | F109-Y245 HydrophobicContact CE1-CE1 4.01Å; F109-Y245 HydrophobicContact CZ-CE1 4.23Å; F143-Y245 HydrophobicContact CD1-CD1 4.2Å; F143-Y245 AromaticContact CE1-CD1 3.7Å; F143-Y245 HydrophobicContact CE1-CD1 3.7Å; F143-Y245 AromaticContact CE1-CE1 3.82Å; F143-Y245 HydrophobicContact CE1-CE1 3.82Å; F143-Y245 HydrophobicContact CZ-CE1 4.36Å; A147-Y245 HydrophobicContact CB-CD1 3.61Å; A147-Y245 HydrophobicContact CB-CE1 3.41Å; A147-Y245 VanDerWaalsContact CB-CE1 3.41Å; A147-Y245 HydrophobicContact CB-CG 4.48Å; I153-Y245 HydrophobicContact CG1-CD2 4.02Å; I153-Y245 HydrophobicContact CG1-CE2 4.07Å; I153-Y245 HydrophobicContact CG1-CG 4.45Å; T156-Y245 HydrophobicContact CG2-CE2 3.99Å; T156-Y245 WeakPolarHBondContact OG1-CE2 3.44Å; T156-Y245 PolarHBondContact OG1-OH 3.26Å; M241-Y245 HydrophobicContact CE-CE1 3.72Å; M241-Y245 WeakPolarHBondContact CE-OH 3.45Å; M241-Y245 VanDerWaalsContact O-CG 3.23Å; M241-Y245 PolarHBondContact O-N 2.95Å; Y245-N253 WeakPolarHBondContact O-CB 3.49Å; Y245-N253 PolarHBondContact O-ND2 3.45Å; Y245-L257 HydrophobicContact CD2-CD1 4.45Å; Y245-L257 HydrophobicContact CD2-CD2 4.49Å |
| 246 | A | 86.6 | Confident | 86.7 | Confident | 2 Ų | 2 | 27 Ų | 27 | 2% | 0.017 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -92 | -11.5 | 180 | 0 | 0 | 0 | 0 | 0 | 114.4 | I242 C243 L244 L440 Y443 | I242-A246 PolarHBondContact O-N 2.88Å; C243-A246 PolarHBondContact O-N 2.63Å; L244-A246 VanDerWaalsContact C-N 3.29Å; L244-A246 PolarHBondContact O-N 3.5Å; A246-L440 HydrophobicContact CB-CD2 3.61Å; A246-Y443 PolarHBondContact O-OH 2.9Å |
| 247 | S | 80.5 | Confident | 86.7 | Confident | 23 Ų | 23 | 24.5 Ų | 24.5 | 16% | 0.161 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -76.1 | 173.7 | 177.2 | -66.5 | 0 | 0 | 0 | 0 | 112.2 | C243 L244 G249 G250 | C243-S247 WeakPolarHBondContact O-CB 3.29Å; C243-S247 PolarHBondContact O-N 2.83Å; C243-S247 PolarHBondContact O-OG 3.36Å; L244-S247 PolarHBondContact O-N 3.07Å; S247-G249 PolarHBondContact O-N 3Å; S247-G250 PolarHBondContact O-N 3.26Å |
| 248 | N | 68.7 | Low | 86.5 | Confident | 66 Ų | 66 | 24 Ų | 24 | 35% | 0.353 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 36.4 | 169.6 | -59.8 | -0.4 | 0 | 0 | 0 | 115.4 | S795 | N248-S795 PolarHBondContact OD1-OG 3.29Š|
| 249 | G | 62.1 | Low | 86.3 | Confident | 68 Ų | 68 | 31.3 Ų | 31.3 | 70% | 0.701 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 96.3 | 5.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | S247 K251 | S247-G249 PolarHBondContact O-N 3Å; G249-K251 PolarHBondContact O-N 2.99Å |
| 250 | G | 71.7 | Confident | 86.1 | Confident | 10 Ų | 10 | 34.1 Ų | 34.1 | 10% | 0.103 | 19% | 0.188 | C | C | . | . | trans | -67.5 | 48.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | S247 N253 S254 | S247-G250 PolarHBondContact O-N 3.26Å; G250-N253 PolarHBondContact O-N 3.08Å; G250-S254 WeakPolarHBondContact O-CB 3.41Å; G250-S254 PolarHBondContact O-N 2.62Å | ||
| 251 | K | 81.9 | Confident | 85.9 | Confident | 66 Ų | 66 | 31.3 Ų | 31.3 | 29% | 0.287 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -58.5 | -55.2 | 176.9 | 178.5 | 173.9 | 176.7 | -172.6 | 0 | 111.7 | G249 N253 S254 Y255 Y443 | G249-K251 PolarHBondContact O-N 2.99Å; K251-N253 VanDerWaalsContact C-N 3.32Å; K251-N253 PolarHBondContact O-N 3.3Å; K251-S254 WeakPolarHBondContact O-CB 3.42Å; K251-S254 PolarHBondContact O-N 2.78Å; K251-S254 VanDerWaalsContact O-N 3.15Å; K251-Y255 PolarHBondContact O-N 3.32Å; K251-Y443 HydrophobicContact CB-CD1 4.04Å; K251-Y443 HydrophobicContact CB-CE1 3.58Å; K251-Y443 HydrophobicContact CD-CD1 4.35Å; K251-Y443 HydrophobicContact CD-CE1 4.42Å; K251-Y443 HydrophobicContact CG-CD1 3.68Å; K251-Y443 HydrophobicContact CG-CE1 3.76Å |
| 252 | T | 86 | Confident | 85.9 | Confident | 47 Ų | 47 | 31.3 Ų | 31.3 | 29% | 0.288 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -60.9 | -40.4 | 179 | -45.4 | 0 | 0 | 0 | 0 | 111.9 | Y255 L256 E982 | T252-Y255 PolarHBondContact O-N 3.21Å; T252-L256 VanDerWaalsContact O-CB 3.27Å; T252-L256 WeakPolarHBondContact O-CB 3.23Å; T252-L256 PolarHBondContact O-N 2.91Å; T252-E982 WeakPolarHBondContact CA-OE2 3.34Å; T252-E982 VanDerWaalsContact CB-OE2 3.27Å; T252-E982 WeakPolarHBondContact CB-OE2 3.48Å; T252-E982 HydrophobicContact CG2-CG 4.36Å; T252-E982 PolarHBondContact N-OE2 3.08Å; T252-E982 PolarHBondContact OG1-OE2 3.31Å |
| 253 | N | 89.3 | Confident | 85.9 | Confident | 4 Ų | 4 | 31.4 Ų | 31.4 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.9 | -45.6 | 173.8 | -73.3 | 2.5 | 0 | 0 | 0 | 112.4 | G144 I153 Y245 G250 K251 Y255 L256 L257 | G144-N253 WeakPolarHBondContact CA-ND2 3.19Å; G144-N253 PolarHBondContact O-ND2 2.79Å; I153-N253 HydrophobicContact CD1-CB 4.17Å; Y245-N253 WeakPolarHBondContact O-CB 3.49Å; Y245-N253 PolarHBondContact O-ND2 3.45Å; G250-N253 PolarHBondContact O-N 3.08Å; K251-N253 VanDerWaalsContact C-N 3.32Å; K251-N253 PolarHBondContact O-N 3.3Å; N253-Y255 VanDerWaalsContact C-N 3.34Å; N253-L256 PolarHBondContact O-N 2.93Å; N253-L257 WeakPolarHBondContact O-CB 3.5Å; N253-L257 WeakPolarHBondContact O-CD1 3.33Å; N253-L257 VanDerWaalsContact O-CG 3.28Å; N253-L257 WeakPolarHBondContact O-CG 3.36Å; N253-L257 PolarHBondContact O-N 3.25Å |
| 254 | S | 89.2 | Confident | 85.9 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.8 | -44.6 | 177.8 | -169.5 | 0 | 0 | 0 | 0 | 111.1 | G250 K251 L257 G258 L440 Y443 N446 | G250-S254 WeakPolarHBondContact O-CB 3.41Å; G250-S254 PolarHBondContact O-N 2.62Å; K251-S254 WeakPolarHBondContact O-CB 3.42Å; K251-S254 PolarHBondContact O-N 2.78Å; K251-S254 VanDerWaalsContact O-N 3.15Å; S254-L257 PolarHBondContact O-N 3.24Å; S254-G258 PolarHBondContact O-N 3.08Å; S254-L440 WeakPolarHBondContact OG-CA 3.5Å; S254-L440 VanDerWaalsContact OG-CD2 3.24Å; S254-L440 WeakPolarHBondContact OG-CD2 3.47Å; S254-L440 PolarHBondContact OG-O 2.77Å; S254-Y443 VanDerWaalsContact CB-CD2 3.4Å; S254-Y443 VanDerWaalsContact CB-CE2 3.46Å; S254-Y443 WeakPolarHBondContact OG-CD2 3.42Å; S254-N446 VanDerWaalsContact C-ND2 3.29Å; S254-N446 PolarHBondContact O-ND2 3.4Å; S254-N446 PolarHBondContact OG-ND2 3.24Å |
| 255 | Y | 87.7 | Confident | 86 | Confident | 18 Ų | 18 | 33 Ų | 33 | 7% | 0.071 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60 | -43.6 | 173.1 | 160.3 | -103.6 | 0 | 0 | 0 | 112.5 | K251 T252 N253 G258 R259 R449 I980 N981 E982 | K251-Y255 PolarHBondContact O-N 3.32Å; T252-Y255 PolarHBondContact O-N 3.21Å; N253-Y255 VanDerWaalsContact C-N 3.34Å; Y255-G258 CarbonylContact O-C 3.59Å; Y255-G258 PolarHBondContact O-N 3.21Å; Y255-R259 WeakPolarHBondContact O-CB 3.47Å; Y255-R259 PolarHBondContact O-N 2.81Å; Y255-R259 WeakPolarHBondContact OH-CD 3.48Å; Y255-R259 PolarHBondContact OH-NH1 3.02Å; Y255-R449 VanDerWaalsContact CD2-NH1 3.32Å; Y255-R449 PolarHBondContact O-NH1 3.29Å; Y255-I980 HydrophobicContact CE2-CG2 4.15Å; Y255-I980 WeakPolarHBondContact OH-CG2 3.49Å; Y255-I980 PolarHBondContact OH-O 2.83Å; Y255-N981 HydrophobicContact CD2-CB 3.67Å; Y255-N981 WeakPolarHBondContact CD2-ND2 3.3Å; Y255-N981 HydrophobicContact CE2-CB 3.35Å; Y255-N981 HydrophobicContact CG-CB 4.42Å; Y255-N981 VanDerWaalsContact CZ-O 3.27Å; Y255-N981 PolarHBondContact OH-O 3.43Å; Y255-E982 HydrophobicContact CD1-CG 3.71Å; Y255-E982 HydrophobicContact CE1-CG 4.02Å; Y255-E982 HydrophobicContact CG-CG 4.24Å |
| 256 | L | 89.1 | Confident | 86.2 | Confident | 53 Ų | 53 | 33 Ų | 33 | 28% | 0.277 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -64.8 | -44.1 | 179.5 | -176.6 | 67 | 0 | 0 | 0 | 111.6 | I153 T252 N253 G258 R259 N260 | I153-L256 HydrophobicContact CB-CD2 4.47Å; I153-L256 HydrophobicContact CD1-CD2 4.09Å; I153-L256 HydrophobicContact CG2-CD2 4.2Å; T252-L256 VanDerWaalsContact O-CB 3.27Å; T252-L256 WeakPolarHBondContact O-CB 3.23Å; T252-L256 PolarHBondContact O-N 2.91Å; N253-L256 PolarHBondContact O-N 2.93Å; L256-G258 VanDerWaalsContact C-N 3.31Å; L256-G258 PolarHBondContact O-N 3.09Å; L256-R259 PolarHBondContact O-N 3Å; L256-N260 WeakPolarHBondContact CD1-ND2 3.31Å; L256-N260 WeakPolarHBondContact O-CB 3.47Å; L256-N260 PolarHBondContact O-N 3.35Å; L256-N260 PolarHBondContact O-ND2 2.85Å |
| 257 | L | 91.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -55.5 | -47.1 | 170.9 | -74.8 | 157.8 | 0 | 0 | 0 | 110.5 | I153 I157 I242 Y245 N253 S254 N260 V262 L440 | I153-L257 HydrophobicContact CG2-CD2 3.92Å; I153-L257 HydrophobicContact CG2-CG 4.09Å; I157-L257 HydrophobicContact CD1-CD2 3.99Å; I157-L257 HydrophobicContact CG1-CD2 3.93Å; I242-L257 HydrophobicContact CG1-CD2 4.24Å; I242-L257 HydrophobicContact CG2-CD1 4.26Å; I242-L257 HydrophobicContact CG2-CD2 4.5Å; Y245-L257 HydrophobicContact CD2-CD1 4.45Å; Y245-L257 HydrophobicContact CD2-CD2 4.49Å; N253-L257 WeakPolarHBondContact O-CB 3.5Å; N253-L257 WeakPolarHBondContact O-CD1 3.33Å; N253-L257 VanDerWaalsContact O-CG 3.28Å; N253-L257 WeakPolarHBondContact O-CG 3.36Å; N253-L257 PolarHBondContact O-N 3.25Å; S254-L257 PolarHBondContact O-N 3.24Å; L257-N260 PolarHBondContact O-N 3.36Å; L257-V262 HydrophobicContact CB-CB 4.43Å; L257-V262 HydrophobicContact CB-CG2 4.21Å; L257-V262 HydrophobicContact CD2-CG2 4.02Å; L257-V262 VanDerWaalsContact O-CB 3.23Å; L257-V262 WeakPolarHBondContact O-CB 3.48Å; L257-V262 WeakPolarHBondContact O-CG2 3.44Å; L257-V262 PolarHBondContact O-N 2.85Å; L257-L440 HydrophobicContact CD1-CD2 3.97Å |
| 258 | G | 88.9 | Confident | 86.9 | Confident | 4 Ų | 4 | 32.8 Ų | 32.8 | 4% | 0.041 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.9 | -42.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | S254 Y255 L256 N260 G261 N446 | S254-G258 PolarHBondContact O-N 3.08Å; Y255-G258 CarbonylContact O-C 3.59Å; Y255-G258 PolarHBondContact O-N 3.21Å; L256-G258 VanDerWaalsContact C-N 3.31Å; L256-G258 PolarHBondContact O-N 3.09Å; G258-N260 VanDerWaalsContact C-N 3.28Å; G258-N260 PolarHBondContact O-N 3.04Å; G258-G261 PolarHBondContact O-N 3.11Å; G258-N446 WeakPolarHBondContact CA-OD1 3.48Å |
| 259 | R | 90 | Very high | 88 | Confident | 156 Ų | 156 | 29.6 Ų | 29.6 | 59% | 0.589 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -64.7 | -33 | 178.3 | -173.1 | 167 | 173.9 | 157.7 | -3.8 | 111.7 | Y255 L256 G261 | Y255-R259 WeakPolarHBondContact O-CB 3.47Å; Y255-R259 PolarHBondContact O-N 2.81Å; Y255-R259 WeakPolarHBondContact OH-CD 3.48Å; Y255-R259 PolarHBondContact OH-NH1 3.02Å; L256-R259 PolarHBondContact O-N 3Å; R259-G261 PolarHBondContact O-N 3.45Å |
| 260 | N | 90.2 | Very high | 89.3 | Confident | 60 Ų | 60 | 26.4 Ų | 26.4 | 32% | 0.321 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 19.1 | 177.5 | -76.2 | -86.9 | 0 | 0 | 0 | 114.2 | I157 R161 L256 L257 G258 | I157-N260 HydrophobicContact CD1-CB 3.48Å; I157-N260 VanDerWaalsContact CD1-CB 3.48Å; R161-N260 PolarHBondContact NH2-O 3.27Å; L256-N260 WeakPolarHBondContact CD1-ND2 3.31Å; L256-N260 WeakPolarHBondContact O-CB 3.47Å; L256-N260 PolarHBondContact O-N 3.35Å; L256-N260 PolarHBondContact O-ND2 2.85Å; L257-N260 PolarHBondContact O-N 3.36Å; G258-N260 VanDerWaalsContact C-N 3.28Å; G258-N260 PolarHBondContact O-N 3.04Å |
| 261 | G | 89.9 | Confident | 90.1 | Very high | 30 Ų | 30 | 26 Ų | 26 | 31% | 0.309 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | 7.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | G258 R259 M263 K264 L265 | G258-G261 PolarHBondContact O-N 3.11Å; R259-G261 PolarHBondContact O-N 3.45Å; G261-M263 PolarHBondContact O-N 3.26Å; G261-M263 VanDerWaalsContact O-N 3.13Å; G261-K264 PolarHBondContact O-N 3.42Å; G261-L265 PolarHBondContact O-N 2.87Å |
| 262 | V | 93.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -59 | -28.2 | 179.7 | 176.1 | 0 | 0 | 0 | 0 | 112.2 | I157 L160 I242 L257 L265 L266 L440 | I157-V262 HydrophobicContact CB-CG2 4.47Å; I157-V262 HydrophobicContact CD1-CG2 3.87Å; I157-V262 HydrophobicContact CG1-CG2 3.69Å; I157-V262 HydrophobicContact CG2-CG2 4.08Å; L160-V262 HydrophobicContact CD2-CG1 4.14Å; I242-V262 HydrophobicContact CD1-CG1 4.34Å; L257-V262 HydrophobicContact CB-CB 4.43Å; L257-V262 HydrophobicContact CB-CG2 4.21Å; L257-V262 HydrophobicContact CD2-CG2 4.02Å; L257-V262 VanDerWaalsContact O-CB 3.23Å; L257-V262 WeakPolarHBondContact O-CB 3.48Å; L257-V262 WeakPolarHBondContact O-CG2 3.44Å; L257-V262 PolarHBondContact O-N 2.85Å; V262-L265 PolarHBondContact O-N 2.8Å; V262-L266 HydrophobicContact CG1-CD1 3.83Å; V262-L266 HydrophobicContact CG1-CG 3.96Å; V262-L266 WeakPolarHBondContact O-CB 2.94Å; V262-L266 VanDerWaalsContact O-CG 3.27Å; V262-L266 WeakPolarHBondContact O-CG 3.36Å; V262-L266 PolarHBondContact O-N 3.43Å; V262-L440 HydrophobicContact CG1-CD1 3.93Å |
| 263 | M | 93 | Very high | 90.3 | Very high | 2 Ų | 2 | 20.8 Ų | 20.8 | 1% | 0.01 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -59.2 | -52.7 | 174.6 | -70.8 | -69.1 | 145.5 | 0 | 0 | 112.6 | G261 L265 L266 I267 L437 L440 I441 N446 R449 A450 | G261-M263 PolarHBondContact O-N 3.26Å; G261-M263 VanDerWaalsContact O-N 3.13Å; M263-L265 VanDerWaalsContact C-N 3.31Å; M263-L265 PolarHBondContact O-N 3.13Å; M263-L266 PolarHBondContact O-N 3.25Å; M263-I267 WeakPolarHBondContact O-CD1 3.31Å; M263-I267 VanDerWaalsContact O-CG1 3.32Å; M263-I267 WeakPolarHBondContact O-CG1 3.14Å; M263-I267 PolarHBondContact O-N 3.16Å; M263-L437 HydrophobicContact SD-CD1 3.82Å; M263-L440 HydrophobicContact CE-CB 3.33Å; M263-L440 HydrophobicContact CE-CD1 3.85Å; M263-L440 HydrophobicContact CE-CG 4.25Å; M263-I441 HydrophobicContact CE-CG2 4.18Å; M263-I441 HydrophobicContact SD-CG2 4.07Å; M263-N446 HydrophobicContact CE-CB 3.66Å; M263-R449 HydrophobicContact CB-CB 4.22Å; M263-R449 HydrophobicContact CG-CB 3.81Å; M263-A450 HydrophobicContact SD-CB 4.12Å |
| 264 | K | 91.3 | Very high | 90 | Very high | 65 Ų | 65 | 20.6 Ų | 20.6 | 28% | 0.283 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -57.8 | -45.3 | 178 | -171.2 | 165.9 | 179.6 | 169.9 | 0 | 110.9 | G261 L266 I267 Q268 S287 L288 N453 | G261-K264 PolarHBondContact O-N 3.42Å; K264-L266 PolarHBondContact O-N 3.39Å; K264-I267 PolarHBondContact O-N 3.12Å; K264-Q268 VanDerWaalsContact O-CB 3.24Å; K264-Q268 WeakPolarHBondContact O-CB 3.34Å; K264-Q268 PolarHBondContact O-N 2.81Å; K264-S287 WeakPolarHBondContact CE-O 3.3Å; K264-S287 PolarHBondContact NZ-O 3.09Å; K264-L288 HydrophobicContact CG-CD2 4.28Å; K264-N453 VanDerWaalsContact CB-OD1 3.24Å; K264-N453 WeakPolarHBondContact CB-OD1 3.45Å; K264-N453 VanDerWaalsContact CG-OD1 3.3Å; K264-N453 WeakPolarHBondContact CG-OD1 3.39Å |
| 265 | L | 93.6 | Very high | 89.3 | Confident | 20 Ų | 20 | 20.6 Ų | 20.6 | 11% | 0.105 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63 | -41.5 | 179.3 | -62.7 | 171.2 | 0 | 0 | 0 | 113 | L160 R161 V164 G261 V262 M263 L269 | L160-L265 HydrophobicContact CD2-CB 3.97Å; L160-L265 HydrophobicContact CD2-CD1 3.95Å; L160-L265 HydrophobicContact CG-CB 4.45Å; L160-L265 HydrophobicContact CG-CD1 4.26Å; R161-L265 HydrophobicContact CG-CD1 3.57Å; R161-L265 HydrophobicContact CG-CD2 4.19Å; V164-L265 HydrophobicContact CB-CD2 4.35Å; V164-L265 HydrophobicContact CG1-CD2 4.23Å; V164-L265 HydrophobicContact CG2-CB 4.4Å; V164-L265 HydrophobicContact CG2-CD2 4.22Å; G261-L265 PolarHBondContact O-N 2.87Å; V262-L265 PolarHBondContact O-N 2.8Å; M263-L265 VanDerWaalsContact C-N 3.31Å; M263-L265 PolarHBondContact O-N 3.13Å; L265-L269 WeakPolarHBondContact O-CB 3.32Å; L265-L269 VanDerWaalsContact O-CG 3.3Å; L265-L269 WeakPolarHBondContact O-CG 3.29Å; L265-L269 PolarHBondContact O-N 3.26Å |
| 266 | L | 94.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -67.3 | -40 | 177.2 | -71.2 | 174.6 | 0 | 0 | 0 | 111.9 | L239 V262 M263 K264 L269 I270 L433 T436 L437 L440 | L239-L266 HydrophobicContact CD2-CD2 3.48Å; L239-L266 VanDerWaalsContact CD2-CD2 3.48Å; V262-L266 HydrophobicContact CG1-CD1 3.83Å; V262-L266 HydrophobicContact CG1-CG 3.96Å; V262-L266 WeakPolarHBondContact O-CB 2.94Å; V262-L266 VanDerWaalsContact O-CG 3.27Å; V262-L266 WeakPolarHBondContact O-CG 3.36Å; V262-L266 PolarHBondContact O-N 3.43Å; M263-L266 PolarHBondContact O-N 3.25Å; K264-L266 PolarHBondContact O-N 3.39Å; L266-L269 PolarHBondContact O-N 3.34Å; L266-I270 WeakPolarHBondContact O-CG1 3.25Å; L266-I270 PolarHBondContact O-N 2.96Å; L266-L433 HydrophobicContact CD2-CD1 3.47Å; L266-L433 VanDerWaalsContact CD2-CD1 3.47Å; L266-T436 HydrophobicContact CD1-CG2 4.24Å; L266-T436 HydrophobicContact CD2-CG2 4.18Å; L266-L437 HydrophobicContact CD1-CD1 4.34Å; L266-L440 HydrophobicContact CD1-CD1 3.68Å |
| 267 | I | 92.1 | Very high | 87.7 | Confident | 3 Ų | 3 | 18.8 Ų | 18.8 | 2% | 0.015 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -70.2 | -43.6 | 179.5 | -66.2 | 160.1 | 0 | 0 | 0 | 110.6 | M263 K264 L269 I270 A271 A450 N453 A455 L458 | M263-I267 WeakPolarHBondContact O-CD1 3.31Å; M263-I267 VanDerWaalsContact O-CG1 3.32Å; M263-I267 WeakPolarHBondContact O-CG1 3.14Å; M263-I267 PolarHBondContact O-N 3.16Å; K264-I267 PolarHBondContact O-N 3.12Å; I267-L269 VanDerWaalsContact C-N 3.29Å; I267-L269 PolarHBondContact O-N 3.25Å; I267-I270 WeakPolarHBondContact O-CB 3.29Å; I267-I270 PolarHBondContact O-N 3.45Å; I267-A271 PolarHBondContact O-N 2.91Å; I267-A450 HydrophobicContact CD1-CB 4.31Å; I267-N453 HydrophobicContact CD1-CB 3.44Å; I267-N453 VanDerWaalsContact CD1-CB 3.44Å; I267-N453 WeakPolarHBondContact CG2-O 3.14Å; I267-A455 HydrophobicContact CD1-CB 3.78Å; I267-A455 HydrophobicContact CG1-CB 4.1Å; I267-L458 HydrophobicContact CG2-CD2 3.66Å |
| 268 | Q | 90.3 | Very high | 86.3 | Confident | 16 Ų | 16 | 21.7 Ų | 21.7 | 8% | 0.075 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -57.2 | -41.8 | 172.2 | -168.6 | -178.9 | 28.8 | 0 | 0 | 111.2 | V164 K264 I270 A271 L272 L288 | V164-Q268 HydrophobicContact CG1-CG 4.45Å; V164-Q268 VanDerWaalsContact CG1-OE1 3.22Å; K264-Q268 VanDerWaalsContact O-CB 3.24Å; K264-Q268 WeakPolarHBondContact O-CB 3.34Å; K264-Q268 PolarHBondContact O-N 2.81Å; Q268-I270 PolarHBondContact O-N 3.17Å; Q268-A271 PolarHBondContact O-N 3.02Å; Q268-L272 HydrophobicContact CG-CD1 4.16Å; Q268-L272 WeakPolarHBondContact O-CB 3.42Å; Q268-L272 VanDerWaalsContact O-CG 3.28Å; Q268-L272 WeakPolarHBondContact O-CG 3.38Å; Q268-L272 PolarHBondContact O-N 3.1Å; Q268-L288 VanDerWaalsContact CD-O 3.26Å; Q268-L288 PolarHBondContact NE2-O 2.76Å |
| 269 | L | 91.4 | Very high | 84.7 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.2 | -36.2 | 172.5 | -77.7 | 171.3 | 0 | 0 | 0 | 113.2 | L160 V164 L167 L235 L265 L266 I267 L273 L433 | L160-L269 HydrophobicContact CD1-CD1 3.98Å; V164-L269 HydrophobicContact CG2-CD1 3.82Å; V164-L269 HydrophobicContact CG2-CD2 3.92Å; V164-L269 HydrophobicContact CG2-CG 3.74Å; L167-L269 HydrophobicContact CD2-CD2 3.66Å; L235-L269 HydrophobicContact CD1-CD2 4.23Å; L235-L269 HydrophobicContact CD2-CD1 4.08Å; L235-L269 HydrophobicContact CD2-CD2 4.42Å; L265-L269 WeakPolarHBondContact O-CB 3.32Å; L265-L269 VanDerWaalsContact O-CG 3.3Å; L265-L269 WeakPolarHBondContact O-CG 3.29Å; L265-L269 PolarHBondContact O-N 3.26Å; L266-L269 PolarHBondContact O-N 3.34Å; I267-L269 VanDerWaalsContact C-N 3.29Å; I267-L269 PolarHBondContact O-N 3.25Å; L269-L273 HydrophobicContact CB-CD1 4.41Å; L269-L273 HydrophobicContact CD2-CD1 4.38Å; L269-L273 WeakPolarHBondContact O-CB 3.39Å; L269-L273 VanDerWaalsContact O-CG 3.23Å; L269-L273 WeakPolarHBondContact O-CG 3.47Å; L269-L273 PolarHBondContact O-N 2.67Å; L269-L433 HydrophobicContact CB-CD1 3.9Å; L269-L433 HydrophobicContact CB-CD2 3.6Å; L269-L433 HydrophobicContact CB-CG 4.4Å; L269-L433 HydrophobicContact CD1-CD1 3.89Å |
| 270 | I | 90.8 | Very high | 83 | Confident | 1 Ų | 1 | 16.3 Ų | 16.3 | 1% | 0.005 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -64.8 | -47.1 | 176.3 | -68.9 | 170.6 | 0 | 0 | 0 | 109.8 | L266 I267 Q268 S274 L433 V434 L437 L458 L459 L462 | L266-I270 WeakPolarHBondContact O-CG1 3.25Å; L266-I270 PolarHBondContact O-N 2.96Å; I267-I270 WeakPolarHBondContact O-CB 3.29Å; I267-I270 PolarHBondContact O-N 3.45Å; Q268-I270 PolarHBondContact O-N 3.17Å; I270-S274 VanDerWaalsContact O-CB 3.31Å; I270-S274 WeakPolarHBondContact O-CB 3.37Å; I270-S274 PolarHBondContact O-N 3.23Å; I270-S274 PolarHBondContact O-OG 3.46Å; I270-L433 HydrophobicContact CB-CD2 4.3Å; I270-L433 HydrophobicContact CG1-CD2 3.47Å; I270-L433 VanDerWaalsContact CG1-CD2 3.47Å; I270-L433 HydrophobicContact CG1-CG 3.93Å; I270-V434 HydrophobicContact CD1-CG2 4.23Å; I270-L437 HydrophobicContact CD1-CD2 3.86Å; I270-L458 HydrophobicContact CB-CD2 4.04Å; I270-L458 HydrophobicContact CG2-CD2 3.85Å; I270-L458 HydrophobicContact CG2-CG 4.2Å; I270-L459 HydrophobicContact CD1-CD2 4.11Å; I270-L462 HydrophobicContact CG2-CD2 3.6Å |
| 271 | A | 87.2 | Confident | 81 | Confident | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.008 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -64.3 | -41.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I267 Q268 S274 G275 L276 H277 M285 L458 | I267-A271 PolarHBondContact O-N 2.91Å; Q268-A271 PolarHBondContact O-N 3.02Å; A271-S274 PolarHBondContact O-OG 2.92Å; A271-G275 PolarHBondContact O-N 3.45Å; A271-L276 PolarHBondContact O-N 2.84Å; A271-H277 HydrophobicContact CB-CB 4.36Å; A271-H277 PolarHBondContact O-N 3.48Å; A271-H277 PolarHBondContact O-ND1 3.12Å; A271-M285 HydrophobicContact CB-CE 4.1Å; A271-L458 HydrophobicContact CB-CD1 4.02Å; A271-L458 HydrophobicContact CB-CD2 4.09Å |
| 272 | L | 86.5 | Confident | 79 | Confident | 1 Ų | 1 | 16.7 Ų | 16.7 | 1% | 0.005 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -67.7 | -44.9 | 176.5 | -71.2 | 174.6 | 0 | 0 | 0 | 112.8 | L167 N168 I171 Q268 L289 | L167-L272 HydrophobicContact CD2-CB 4.13Å; L167-L272 HydrophobicContact CD2-CD1 4.37Å; N168-L272 HydrophobicContact CB-CD1 3.99Å; I171-L272 HydrophobicContact CD1-CB 3.89Å; I171-L272 HydrophobicContact CD1-CD2 3.94Å; I171-L272 HydrophobicContact CD1-CG 4.4Å; I171-L272 HydrophobicContact CG2-CD2 4.38Å; Q268-L272 HydrophobicContact CG-CD1 4.16Å; Q268-L272 WeakPolarHBondContact O-CB 3.42Å; Q268-L272 VanDerWaalsContact O-CG 3.28Å; Q268-L272 WeakPolarHBondContact O-CG 3.38Å; Q268-L272 PolarHBondContact O-N 3.1Å; L272-L289 HydrophobicContact CD2-CD2 3.99Å; L272-L289 HydrophobicContact CG-CD2 4.48Å |
| 273 | L | 86.9 | Confident | 76.7 | Confident | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.01 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -82 | -21.9 | -173.7 | -68.5 | 170.6 | 0 | 0 | 0 | 114.7 | L167 V227 L269 G422 N426 L429 L430 L433 | L167-L273 HydrophobicContact CD1-CD2 4.46Å; L167-L273 HydrophobicContact CD2-CD2 3.74Å; L167-L273 HydrophobicContact CD2-CG 3.97Å; V227-L273 HydrophobicContact CG2-CD2 3.49Å; V227-L273 VanDerWaalsContact CG2-CD2 3.49Å; L269-L273 HydrophobicContact CB-CD1 4.41Å; L269-L273 HydrophobicContact CD2-CD1 4.38Å; L269-L273 WeakPolarHBondContact O-CB 3.39Å; L269-L273 VanDerWaalsContact O-CG 3.23Å; L269-L273 WeakPolarHBondContact O-CG 3.47Å; L269-L273 PolarHBondContact O-N 2.67Å; L273-G422 CarbonylContact O-C 3.07Å; L273-G422 VanDerWaalsContact O-C 3.28Å; L273-G422 WeakPolarHBondContact O-CA 3.31Å; L273-N426 PolarHBondContact O-ND2 2.84Å; L273-L429 HydrophobicContact CD1-CD2 3.66Å; L273-L429 HydrophobicContact CD1-CG 3.98Å; L273-L429 HydrophobicContact CD2-CD2 4.01Å; L273-L430 HydrophobicContact CB-CD2 3.78Å; L273-L430 HydrophobicContact CB-CG 4.29Å; L273-L433 HydrophobicContact CD1-CD2 3.99Å |
| 274 | S | 82 | Confident | 74.6 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -80.1 | -35.1 | 168.9 | 56.3 | 0 | 0 | 0 | 0 | 112 | I270 A271 L276 A420 I421 G422 | I270-S274 VanDerWaalsContact O-CB 3.31Å; I270-S274 WeakPolarHBondContact O-CB 3.37Å; I270-S274 PolarHBondContact O-N 3.23Å; I270-S274 PolarHBondContact O-OG 3.46Å; A271-S274 PolarHBondContact O-OG 2.92Å; S274-L276 PolarHBondContact OG-N 3.21Å; S274-A420 CarbonylContact O-C 3.6Å; S274-A420 WeakPolarHBondContact O-CB 3.35Å; S274-A420 VanDerWaalsContact O-O 3.07Å; S274-I421 PolarHBondContact O-N 3.26Å; S274-G422 WeakPolarHBondContact O-CA 3.32Å; S274-G422 PolarHBondContact O-N 3.33Å |
| 275 | G | 75.1 | Confident | 72.7 | Confident | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.01 | 10% | 0.103 | C | C | . | . | S | Bend | trans | 94.5 | -1.4 | -168.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | A271 H277 I278 | A271-G275 PolarHBondContact O-N 3.45Å; G275-H277 PolarHBondContact O-N 3.28Å; G275-H277 VanDerWaalsContact O-N 3.11Å; G275-I278 WeakPolarHBondContact O-CB 3.3Å; G275-I278 WeakPolarHBondContact O-CG1 3.19Å; G275-I278 PolarHBondContact O-N 2.89Å; G275-I278 VanDerWaalsContact O-N 3.08Å |
| 276 | L | 74.7 | Confident | 70.7 | Confident | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | G | 310 helix | trans | -59.8 | -24.7 | -178.2 | -77.4 | 170.8 | 0 | 0 | 0 | 114.2 | A271 S274 I278 Y279 A420 L458 D461 L462 D465 | A271-L276 PolarHBondContact O-N 2.84Å; S274-L276 PolarHBondContact OG-N 3.21Å; L276-I278 PolarHBondContact O-N 2.84Å; L276-I278 VanDerWaalsContact O-N 3.11Å; L276-Y279 HydrophobicContact CD2-CD2 4.23Å; L276-Y279 PolarHBondContact O-N 2.65Å; L276-Y279 VanDerWaalsContact O-N 3.09Å; L276-A420 HydrophobicContact CD2-CB 4.08Å; L276-A420 HydrophobicContact CG-CB 4.07Å; L276-L458 HydrophobicContact CB-CD1 4.01Å; L276-L458 HydrophobicContact CD1-CD1 3.83Å; L276-D461 HydrophobicContact CD1-CB 4.39Å; L276-D461 HydrophobicContact CD2-CB 4.42Å; L276-L462 HydrophobicContact CD1-CB 3.72Å; L276-L462 HydrophobicContact CD1-CD1 4.18Å; L276-L462 HydrophobicContact CD1-CG 4.44Å; L276-D465 WeakPolarHBondContact CD2-OD2 3.38Å |
| 277 | H | 68.9 | Low | 68.8 | Low | 31 Ų | 31 | 26.8 Ų | 26.8 | 14% | 0.144 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -58.9 | -18.5 | 174.7 | 66.9 | -85.2 | 0 | 0 | 0 | 114.4 | I171 A271 G275 Y279 L289 | I171-H277 WeakPolarHBondContact CG2-NE2 3.48Å; A271-H277 HydrophobicContact CB-CB 4.36Å; A271-H277 PolarHBondContact O-N 3.48Å; A271-H277 PolarHBondContact O-ND1 3.12Å; G275-H277 PolarHBondContact O-N 3.28Å; G275-H277 VanDerWaalsContact O-N 3.11Å; H277-Y279 VanDerWaalsContact C-N 3.31Å; H277-L289 HydrophobicContact CB-CD1 4.37Å |
| 278 | I | 62.1 | Low | 66.9 | Low | 62 Ų | 62 | 27 Ų | 27 | 32% | 0.318 | 15% | 0.15 | S | C | . | . | G | 310 helix | trans | -71.4 | -28 | 177.3 | -60.5 | 171 | 0 | 0 | 0 | 111.3 | F178 G275 L276 | F178-I278 HydrophobicContact CD1-CG2 3.94Å; F178-I278 HydrophobicContact CE1-CG2 4.14Å; G275-I278 WeakPolarHBondContact O-CB 3.3Å; G275-I278 WeakPolarHBondContact O-CG1 3.19Å; G275-I278 PolarHBondContact O-N 2.89Å; G275-I278 VanDerWaalsContact O-N 3.08Å; L276-I278 PolarHBondContact O-N 2.84Å; L276-I278 VanDerWaalsContact O-N 3.11Å |
| 279 | Y | 54.2 | Low | 65.3 | Low | 19 Ų | 19 | 27.4 Ų | 27.4 | 8% | 0.075 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -13.3 | -174.1 | -53.3 | -69.5 | 0 | 0 | 0 | 114 | F178 L276 H277 P352 V353 | F178-Y279 HydrophobicContact CE1-CD1 4.46Å; F178-Y279 HydrophobicContact CE1-CE1 4.03Å; F178-Y279 HydrophobicContact CZ-CE1 4.31Å; L276-Y279 HydrophobicContact CD2-CD2 4.23Å; L276-Y279 PolarHBondContact O-N 2.65Å; L276-Y279 VanDerWaalsContact O-N 3.09Å; H277-Y279 VanDerWaalsContact C-N 3.31Å; Y279-P352 WeakPolarHBondContact O-CD 3.49Å; Y279-V353 HydrophobicContact CD2-CG2 4.39Å; Y279-V353 HydrophobicContact CG-CG2 4.45Å |
| 280 | W | 54 | Low | 63.2 | Low | 27 Ų | 27 | 30.3 Ų | 30.3 | 10% | 0.102 | 17% | 0.172 | C | C | . | . | trans | -104.6 | 94.6 | -172.4 | -82.1 | 56.9 | 0 | 0 | 0 | 111.6 | M285 P457 | W280-M285 HydrophobicContact CB-CB 4.27Å; W280-M285 HydrophobicContact CB-CG 3.58Å; W280-M285 HydrophobicContact CD2-CE 4.25Å; W280-M285 HydrophobicContact CD2-CG 4.27Å; W280-M285 HydrophobicContact CE3-CE 4.06Å; W280-M285 HydrophobicContact CE3-CG 3.84Å; W280-M285 HydrophobicContact CG-CG 4.24Å; W280-P457 HydrophobicContact CH2-CB 3.75Å; W280-P457 HydrophobicContact CH2-CG 3.8Å; W280-P457 HydrophobicContact CZ2-CB 4.04Å | ||
| 281 | K | 49.9 | Very low | 60.8 | Low | 83 Ų | 83 | 34.6 Ų | 34.6 | 36% | 0.361 | 20% | 0.201 | S | C | . | . | trans | -86 | -12.5 | 179.4 | -82 | -177.4 | 172.9 | 178 | 0 | 115.9 | D179 | D179-K281 PolarHBondContact O-NZ 3.18Å; D179-K281 WeakPolarHBondContact OD1-CE 3.09Å; D179-K281 IonicContact OD1-NZ 3.41Å; D179-K281 PolarHBondContact OD1-NZ 3.38Å | ||
| 282 | S | 47.3 | Very low | 58.2 | Low | 16 Ų | 16 | 39 Ų | 39 | 11% | 0.112 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -58.5 | 150 | -176.3 | -178.9 | 0 | 0 | 0 | 0 | 112.9 | T284 M285 | S282-T284 PolarHBondContact O-N 2.95Å; S282-T284 PolarHBondContact OG-OG1 3.4Å; S282-M285 PolarHBondContact O-N 2.96Å |
| 283 | S | 45.2 | Very low | 55.4 | Low | 89 Ų | 89 | 45.2 Ų | 45.2 | 62% | 0.622 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -46.9 | -33.2 | 176.5 | 60.4 | 0 | 0 | 0 | 0 | 113.2 | M285 N286 S287 | S283-M285 VanDerWaalsContact C-N 3.32Å; S283-M285 PolarHBondContact O-N 3.25Å; S283-N286 PolarHBondContact O-N 2.93Å; S283-N286 VanDerWaalsContact O-N 3.13Å; S283-S287 PolarHBondContact O-N 2.88Å |
| 284 | T | 49.1 | Very low | 52.7 | Low | 25 Ų | 25 | 49.7 Ų | 49.7 | 15% | 0.153 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -54.1 | -42.2 | 174.7 | -38.2 | 0 | 0 | 0 | 0 | 113.1 | S282 S287 L288 H454 | S282-T284 PolarHBondContact O-N 2.95Å; S282-T284 PolarHBondContact OG-OG1 3.4Å; T284-S287 WeakPolarHBondContact O-CB 3.48Å; T284-S287 PolarHBondContact O-N 3.33Å; T284-L288 WeakPolarHBondContact O-CG 3.41Å; T284-L288 PolarHBondContact O-N 2.93Å; T284-L288 VanDerWaalsContact O-N 3.1Å; T284-H454 WeakPolarHBondContact CG2-CD2 3.37Å; T284-H454 WeakPolarHBondContact CG2-NE2 3.4Å |
| 285 | M | 50 | Low | 50.1 | Low | 6 Ų | 6 | 55.1 Ų | 55.1 | 3% | 0.03 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -76.9 | -29.3 | 178 | -91.7 | -64.6 | 171.5 | 0 | 0 | 112.8 | A271 W280 S282 S283 S287 L288 L289 L458 | A271-M285 HydrophobicContact CB-CE 4.1Å; W280-M285 HydrophobicContact CB-CB 4.27Å; W280-M285 HydrophobicContact CB-CG 3.58Å; W280-M285 HydrophobicContact CD2-CE 4.25Å; W280-M285 HydrophobicContact CD2-CG 4.27Å; W280-M285 HydrophobicContact CE3-CE 4.06Å; W280-M285 HydrophobicContact CE3-CG 3.84Å; W280-M285 HydrophobicContact CG-CG 4.24Å; S282-M285 PolarHBondContact O-N 2.96Å; S283-M285 VanDerWaalsContact C-N 3.32Å; S283-M285 PolarHBondContact O-N 3.25Å; M285-S287 VanDerWaalsContact C-N 3.28Å; M285-S287 PolarHBondContact O-N 2.95Å; M285-L288 HydrophobicContact CE-CD1 3.79Å; M285-L288 CarbonylContact O-C 3.04Å; M285-L288 PolarHBondContact O-N 3.17Å; M285-L288 VanDerWaalsContact O-N 3.09Å; M285-L288 HydrophobicContact SD-CB 3.92Å; M285-L288 HydrophobicContact SD-CD1 3.68Å; M285-L288 HydrophobicContact SD-CG 4.44Å; M285-L289 HydrophobicContact CB-CD1 4.41Å; M285-L289 VanDerWaalsContact O-CB 3.27Å; M285-L289 WeakPolarHBondContact O-CB 3.2Å; M285-L289 VanDerWaalsContact O-CG 3.28Å; M285-L289 WeakPolarHBondContact O-CG 3.24Å; M285-L289 PolarHBondContact O-N 2.89Å; M285-L458 HydrophobicContact CE-CD1 4.31Å |
| 286 | N | 52.7 | Low | 47.9 | Very low | 109 Ų | 109 | 61.1 Ų | 61.1 | 58% | 0.583 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -64.4 | -35.7 | 170.3 | -71.5 | -32.7 | 0 | 0 | 0 | 111.4 | S283 L289 S290 | S283-N286 PolarHBondContact O-N 2.93Å; S283-N286 VanDerWaalsContact O-N 3.13Å; N286-L289 PolarHBondContact O-N 3.39Å; N286-S290 VanDerWaalsContact O-CB 3.3Å; N286-S290 WeakPolarHBondContact O-CB 3.35Å; N286-S290 PolarHBondContact O-N 3.49Å; N286-S290 PolarHBondContact O-OG 3.02Å |
| 287 | S | 55.1 | Low | 45.7 | Very low | 70 Ų | 70 | 67.4 Ų | 67.4 | 49% | 0.49 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -66.8 | -31.8 | 169.3 | -178.9 | 0 | 0 | 0 | 0 | 113.3 | K264 S283 T284 M285 S290 | K264-S287 WeakPolarHBondContact CE-O 3.3Å; K264-S287 PolarHBondContact NZ-O 3.09Å; S283-S287 PolarHBondContact O-N 2.88Å; T284-S287 WeakPolarHBondContact O-CB 3.48Å; T284-S287 PolarHBondContact O-N 3.33Å; M285-S287 VanDerWaalsContact C-N 3.28Å; M285-S287 PolarHBondContact O-N 2.95Å; S287-S290 PolarHBondContact O-OG 3.32Å |
| 288 | L | 52.5 | Low | 43.7 | Very low | 6 Ų | 6 | 71.8 Ų | 71.8 | 3% | 0.031 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -81.9 | -25.3 | 176.1 | -69.4 | 167.2 | 0 | 0 | 0 | 113.9 | K264 Q268 T284 M285 N453 | K264-L288 HydrophobicContact CG-CD2 4.28Å; Q268-L288 VanDerWaalsContact CD-O 3.26Å; Q268-L288 PolarHBondContact NE2-O 2.76Å; T284-L288 WeakPolarHBondContact O-CG 3.41Å; T284-L288 PolarHBondContact O-N 2.93Å; T284-L288 VanDerWaalsContact O-N 3.1Å; M285-L288 HydrophobicContact CE-CD1 3.79Å; M285-L288 CarbonylContact O-C 3.04Å; M285-L288 PolarHBondContact O-N 3.17Å; M285-L288 VanDerWaalsContact O-N 3.09Å; M285-L288 HydrophobicContact SD-CB 3.92Å; M285-L288 HydrophobicContact SD-CD1 3.68Å; M285-L288 HydrophobicContact SD-CG 4.44Å; L288-N453 HydrophobicContact CD2-CB 4.45Å |
| 289 | L | 54.7 | Low | 42.1 | Very low | 26 Ų | 26 | 76.9 Ų | 76.9 | 14% | 0.136 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -101.4 | -18 | -174.9 | -68.8 | 170.1 | 0 | 0 | 0 | 114.4 | N168 R172 L272 H277 M285 N286 | N168-L289 PolarHBondContact ND2-O 2.93Å; R172-L289 PolarHBondContact NH1-O 3.49Å; L272-L289 HydrophobicContact CD2-CD2 3.99Å; L272-L289 HydrophobicContact CG-CD2 4.48Å; H277-L289 HydrophobicContact CB-CD1 4.37Å; M285-L289 HydrophobicContact CB-CD1 4.41Å; M285-L289 VanDerWaalsContact O-CB 3.27Å; M285-L289 WeakPolarHBondContact O-CB 3.2Å; M285-L289 VanDerWaalsContact O-CG 3.28Å; M285-L289 WeakPolarHBondContact O-CG 3.24Å; M285-L289 PolarHBondContact O-N 2.89Å; N286-L289 PolarHBondContact O-N 3.39Å |
| 290 | S | 47.2 | Very low | 40.7 | Very low | 60 Ų | 60 | 82.3 Ų | 82.3 | 42% | 0.42 | 50% | 0.504 | S | S | . | . | S | Bend | trans | -64 | 136.7 | 173.3 | 41.2 | 0 | 0 | 0 | 0 | 111.4 | N286 S287 S292 | N286-S290 VanDerWaalsContact O-CB 3.3Å; N286-S290 WeakPolarHBondContact O-CB 3.35Å; N286-S290 PolarHBondContact O-N 3.49Å; N286-S290 PolarHBondContact O-OG 3.02Å; S287-S290 PolarHBondContact O-OG 3.32Å; S290-S292 PolarHBondContact O-N 3.26Å |
| 291 | P | 41.7 | Very low | 39.5 | Very low | 92 Ų | 92 | 88 Ų | 88 | 60% | 0.597 | 54% | 0.535 | S | S | * | . | trans | -75.3 | 115.4 | 177.4 | 30.3 | -31.8 | 0 | 0 | 0 | 109.9 | T293 | P291-T293 PolarHBondContact O-N 3.14Š| ||
| 292 | S | 32.3 | Very low | 38.2 | Very low | 92 Ų | 92 | 95.2 Ų | 95.2 | 64% | 0.643 | 56% | 0.56 | S | S | * | * | trans | -70.3 | 93.7 | 173.5 | 57.8 | 0 | 0 | 0 | 0 | 110.6 | S290 T294 | S290-S292 PolarHBondContact O-N 3.26Å; S292-T294 PolarHBondContact O-N 3.11Å; S292-T294 PolarHBondContact O-OG1 2.65Å | ||
| 293 | T | 27.5 | Very low | 37.2 | Very low | 133 Ų | 133 | 103.3 Ų | 103.3 | 82% | 0.816 | 59% | 0.593 | S | S | * | * | trans | -57.5 | 107.9 | 174 | 34.6 | 0 | 0 | 0 | 0 | 110.2 | P291 | P291-T293 PolarHBondContact O-N 3.14Š| ||
| 294 | T | 29.8 | Very low | 36.3 | Very low | 95 Ų | 95 | 104.8 Ų | 104.8 | 58% | 0.583 | 60% | 0.598 | S | S | * | * | trans | -134.8 | 67.2 | 175.9 | 34.1 | 0 | 0 | 0 | 0 | 108.7 | S292 | S292-T294 PolarHBondContact O-N 3.11Å; S292-T294 PolarHBondContact O-OG1 2.65Å | ||
| 295 | S | 27.5 | Very low | 35.2 | Very low | 115 Ų | 115 | 110.3 Ų | 110.3 | 80% | 0.804 | 63% | 0.632 | S | S | * | * | trans | -65.1 | 129.1 | 167.7 | 43.5 | 0 | 0 | 0 | 0 | 109.9 | T297 | S295-T297 PolarHBondContact O-N 3.05Š| ||
| 296 | T | 29.4 | Very low | 34.1 | Very low | 126 Ų | 126 | 116.7 Ų | 116.7 | 77% | 0.773 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -95.8 | 89.1 | -174.6 | 46 | 0 | 0 | 0 | 0 | 112.4 | ||
| 297 | T | 28.9 | Very low | 33 | Very low | 134 Ų | 134 | 115.9 Ų | 115.9 | 82% | 0.822 | 67% | 0.674 | S | S | * | * | trans | -164.7 | 145.6 | 146.4 | 20.2 | 0 | 0 | 0 | 0 | 109.1 | S295 | S295-T297 PolarHBondContact O-N 3.05Š| ||
| 298 | P | 26.5 | Very low | 31.8 | Very low | 123 Ų | 123 | 118.8 Ų | 118.8 | 80% | 0.799 | 69% | 0.691 | S | S | * | * | trans | -89.9 | 125.9 | -177 | 33.7 | -31.4 | 0 | 0 | 0 | 111.9 | ||||
| 299 | L | 28.3 | Very low | 30.7 | Very low | 168 Ų | 168 | 123.9 Ų | 123.9 | 88% | 0.88 | 72% | 0.723 | S | S | * | * | trans | -152.9 | 140.9 | 166.3 | -114 | 169 | 0 | 0 | 0 | 111.5 | ||||
| 300 | T | 24.1 | Very low | 29.3 | Very low | 134 Ų | 134 | 129.3 Ų | 129.3 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | trans | -94.8 | 105.7 | -171.3 | -58 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 301 | I | 28.8 | Very low | 28.4 | Very low | 147 Ų | 147 | 133.9 Ų | 133.9 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | trans | -130.6 | 117.6 | 166.3 | -63.5 | -176.4 | 0 | 0 | 0 | 110.1 | ||||
| 302 | R | 23.4 | Very low | 27.9 | Very low | 234 Ų | 234 | 135.2 Ų | 135.2 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | trans | -74.6 | 138.3 | 162.2 | -71.3 | 168.6 | 162.4 | 175.9 | -9.3 | 109.2 | ||||
| 303 | K | 26.4 | Very low | 27.5 | Very low | 185 Ų | 185 | 134 Ų | 134 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | -155.6 | 91.3 | 151.2 | -104.2 | 162 | -174.1 | -177.4 | 0 | 106.9 | ||||
| 304 | T | 25.7 | Very low | 27.4 | Very low | 121 Ų | 121 | 135.8 Ų | 135.8 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | 77.1 | 122.2 | 88.2 | 54.7 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 305 | T | 25.7 | Very low | 27.2 | Very low | 141 Ų | 141 | 138.9 Ų | 138.9 | 87% | 0.865 | 79% | 0.786 | S | S | * | * | trans | -55.7 | 147.1 | 172 | 42.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 306 | V | 27 | Very low | 27 | Very low | 140 Ų | 140 | 138.3 Ų | 138.3 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | trans | -132.4 | 123.4 | 152.6 | -179.3 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 307 | S | 30.3 | Very low | 26.8 | Very low | 92 Ų | 92 | 140.4 Ų | 140.4 | 64% | 0.643 | 79% | 0.786 | S | S | * | * | trans | -85.8 | 165.8 | 175.5 | 45.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 308 | P | 29.9 | Very low | 26.6 | Very low | 131 Ų | 131 | 141 Ų | 141 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | trans | -132.3 | 95.3 | 142 | 33.9 | -20.2 | 0 | 0 | 0 | 111.1 | ||||
| 309 | T | 28.9 | Very low | 26.5 | Very low | 112 Ų | 112 | 141.8 Ų | 141.8 | 69% | 0.687 | 78% | 0.777 | S | S | * | * | trans | -99.1 | 126.1 | 145.6 | 45.1 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 310 | D | 27.1 | Very low | 26.4 | Very low | 141 Ų | 141 | 144.1 Ų | 144.1 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | trans | 151 | 138.6 | 144.4 | -77.1 | -11.1 | 0 | 0 | 0 | 113.3 | ||||
| 311 | I | 28 | Very low | 26.4 | Very low | 156 Ų | 156 | 145.8 Ų | 145.8 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | trans | 67.6 | 131 | 154.8 | -62.2 | 155.4 | 0 | 0 | 0 | 118.2 | ||||
| 312 | P | 30.3 | Very low | 26.2 | Very low | 120 Ų | 120 | 146.1 Ų | 146.1 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | cis | -127.9 | 178 | -31.4 | 36.3 | -17.8 | 0 | 0 | 0 | 112.3 | ||||
| 313 | G | 24.2 | Very low | 26.3 | Very low | 65 Ų | 65 | 142.8 Ų | 142.8 | 67% | 0.67 | 76% | 0.764 | S | S | * | * | trans | -96.6 | 165.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 314 | H | 26 | Very low | 26.4 | Very low | 172 Ų | 172 | 141.9 Ų | 141.9 | 80% | 0.796 | 77% | 0.767 | S | S | * | * | trans | -161.7 | 139.9 | 150.5 | -103.1 | -73.4 | 0 | 0 | 0 | 112.1 | ||||
| 315 | H | 25 | Very low | 26.4 | Very low | 159 Ų | 159 | 145.7 Ų | 145.7 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | trans | 39.5 | 109.4 | 157.7 | -60.5 | -52.7 | 0 | 0 | 0 | 122.5 | ||||
| 316 | S | 23.5 | Very low | 26.3 | Very low | 104 Ų | 104 | 145.1 Ų | 145.1 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | 46.4 | 115.9 | 103.1 | 177.2 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 317 | M | 25.6 | Very low | 26.3 | Very low | 170 Ų | 170 | 146 Ų | 146 | 84% | 0.837 | 76% | 0.761 | S | S | * | * | trans | -145.8 | 78.2 | 137.8 | -114.9 | -63.8 | -169.2 | 0 | 0 | 110.1 | ||||
| 318 | N | 23.9 | Very low | 26 | Very low | 145 Ų | 145 | 145.8 Ų | 145.8 | 78% | 0.775 | 76% | 0.759 | S | S | * | * | trans | -75.8 | 169.3 | 152.6 | -113 | -13.9 | 0 | 0 | 0 | 108.6 | ||||
| 319 | E | 24.1 | Very low | 25.7 | Very low | 140 Ų | 140 | 148 Ų | 148 | 65% | 0.654 | 76% | 0.758 | S | S | * | * | trans | 68.3 | 86.5 | 178.7 | -57.9 | -166.6 | -155.9 | 0 | 0 | 117.5 | R321 | E319-R321 IonicContact OE2-NH1 3.21Å; E319-R321 PolarHBondContact OE2-NH1 2.85Å; E319-R321 VanDerWaalsContact OE2-NH1 3.14Å | ||
| 320 | Y | 26.2 | Very low | 25.5 | Very low | 218 Ų | 218 | 150.3 Ų | 150.3 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | -133.3 | 73.5 | 127 | -124 | -81.5 | 0 | 0 | 0 | 113.2 | |||||
| 321 | R | 24.2 | Very low | 25.4 | Very low | 168 Ų | 168 | 148.6 Ų | 148.6 | 63% | 0.634 | 77% | 0.765 | S | S | * | * | trans | 43.7 | 115.4 | 141.6 | -84.9 | 176.5 | 165.9 | 68 | 4.8 | 120 | E319 H323 | E319-R321 IonicContact OE2-NH1 3.21Å; E319-R321 PolarHBondContact OE2-NH1 2.85Å; E319-R321 VanDerWaalsContact OE2-NH1 3.14Å; R321-H323 PolarHBondContact O-N 3.06Å | ||
| 322 | N | 25 | Very low | 25.2 | Very low | 155 Ų | 155 | 146.4 Ų | 146.4 | 83% | 0.829 | 76% | 0.763 | S | S | * | * | trans | -25.9 | 123.6 | 132.5 | -60.5 | -34.3 | 0 | 0 | 0 | 114.1 | ||||
| 323 | H | 25.3 | Very low | 24.9 | Very low | 164 Ų | 164 | 146.8 Ų | 146.8 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | trans | -163.3 | 149.8 | 146 | -100 | -73.3 | 0 | 0 | 0 | 108.5 | R321 | R321-H323 PolarHBondContact O-N 3.06Š| ||
| 324 | L | 29.1 | Very low | 25.1 | Very low | 166 Ų | 166 | 149.4 Ų | 149.4 | 87% | 0.869 | 77% | 0.769 | S | S | * | * | trans | 60.9 | 80 | -175.6 | -52 | 169.5 | 0 | 0 | 0 | 112.6 | ||||
| 325 | Y | 24.4 | Very low | 25.1 | Very low | 201 Ų | 201 | 148.1 Ų | 148.1 | 79% | 0.788 | 77% | 0.767 | S | S | * | * | cis | 68.9 | 110.6 | 35.4 | -119.5 | -84.1 | 0 | 0 | 0 | 114.8 | ||||
| 326 | N | 24.1 | Very low | 25 | Very low | 128 Ų | 128 | 152 Ų | 152 | 68% | 0.684 | 78% | 0.775 | S | S | * | * | trans | 21.8 | 113.2 | 156.3 | -56.5 | -5.6 | 0 | 0 | 0 | 120.1 | ||||
| 327 | N | 26.9 | Very low | 25.2 | Very low | 159 Ų | 159 | 151.9 Ų | 151.9 | 85% | 0.85 | 77% | 0.77 | S | S | * | * | trans | 167.9 | 145.4 | 131.3 | -91.5 | -39.2 | 0 | 0 | 0 | 109 | ||||
| 328 | S | 24.6 | Very low | 25.2 | Very low | 87 Ų | 87 | 148.7 Ų | 148.7 | 61% | 0.608 | 76% | 0.764 | S | S | * | * | cis | 173.7 | 153.9 | -28.8 | 41.1 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 329 | Q | 23.8 | Very low | 25.5 | Very low | 178 Ų | 178 | 148.2 Ų | 148.2 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | trans | 52.4 | 96.1 | 169.7 | -57 | -176.8 | 6.3 | 0 | 0 | 119 | ||||
| 330 | L | 25.3 | Very low | 25.7 | Very low | 161 Ų | 161 | 148.2 Ų | 148.2 | 84% | 0.843 | 77% | 0.766 | S | S | * | * | -176.8 | 144.3 | 103 | -123.5 | 64.6 | 0 | 0 | 0 | 114.1 | |||||
| 331 | S | 23.6 | Very low | 25.9 | Very low | 104 Ų | 104 | 144.3 Ų | 144.3 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | trans | -43.5 | 124.5 | 178.2 | 50.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 332 | S | 24.9 | Very low | 26 | Very low | 111 Ų | 111 | 140.2 Ų | 140.2 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | trans | -178.7 | 140.2 | 130.1 | -80.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 333 | P | 23.9 | Very low | 26.2 | Very low | 128 Ų | 128 | 138.4 Ų | 138.4 | 83% | 0.831 | 74% | 0.744 | S | S | * | * | trans | -81.3 | 142.4 | -176.4 | 32.4 | -35 | 0 | 0 | 0 | 113.1 | ||||
| 334 | T | 28.4 | Very low | 26.5 | Very low | 120 Ų | 120 | 135.1 Ų | 135.1 | 74% | 0.736 | 73% | 0.73 | S | S | * | * | trans | -150.9 | 137 | 166.9 | -62.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 335 | L | 25.7 | Very low | 26.6 | Very low | 144 Ų | 144 | 133.5 Ų | 133.5 | 75% | 0.754 | 72% | 0.722 | S | S | * | * | trans | -63.4 | 144.4 | -167.8 | -72.7 | 76.8 | 0 | 0 | 0 | 113.1 | ||||
| 336 | R | 22.8 | Very low | 27 | Very low | 242 Ų | 242 | 128.8 Ų | 128.8 | 91% | 0.913 | 71% | 0.707 | S | S | * | * | trans | -122.9 | 135 | 157 | -76.5 | -172.8 | 172.3 | -156.1 | 0 | 109 | ||||
| 337 | T | 26.9 | Very low | 27.5 | Very low | 101 Ų | 101 | 127.2 Ų | 127.2 | 62% | 0.62 | 70% | 0.698 | S | S | * | * | trans | -143.1 | 107.9 | 161 | 50.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 338 | S | 25.8 | Very low | 28.1 | Very low | 102 Ų | 102 | 125 Ų | 125 | 71% | 0.713 | 69% | 0.685 | S | S | * | * | trans | -95.5 | 165.1 | 148.7 | 59.9 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 339 | D | 30.8 | Very low | 29 | Very low | 136 Ų | 136 | 124.4 Ų | 124.4 | 73% | 0.727 | 67% | 0.674 | S | S | * | * | cis | -133.2 | 159.1 | 30 | -54.8 | -51.8 | 0 | 0 | 0 | 115.2 | ||||
| 340 | D | 28.6 | Very low | 30.1 | Very low | 139 Ų | 139 | 119 Ų | 119 | 74% | 0.743 | 65% | 0.651 | S | S | * | * | trans | 33.7 | 102.5 | 143.7 | -61.5 | -8.8 | 0 | 0 | 0 | 121.3 | ||||
| 341 | N | 29.8 | Very low | 31.3 | Very low | 137 Ų | 137 | 111.8 Ų | 111.8 | 73% | 0.733 | 61% | 0.614 | S | S | * | * | -175.2 | 109.5 | 89.1 | -101.9 | -75 | 0 | 0 | 0 | 114.9 | |||||
| 342 | T | 26.1 | Very low | 32.6 | Very low | 82 Ų | 82 | 108.1 Ų | 108.1 | 50% | 0.503 | 59% | 0.588 | S | S | . | * | trans | 48.1 | 119.1 | 155.9 | 65.2 | 0 | 0 | 0 | 0 | 121.9 | E344 | T342-E344 PolarHBondContact O-N 3.03Š| ||
| 343 | N | 29.8 | Very low | 34 | Very low | 116 Ų | 116 | 103.3 Ų | 103.3 | 62% | 0.62 | 55% | 0.554 | S | S | * | * | trans | 72.6 | -5.6 | 149 | -62.3 | 4.3 | 0 | 0 | 0 | 122.6 | N345 E346 | N343-N345 PolarHBondContact O-N 2.91Å; N343-N345 VanDerWaalsContact O-N 3.15Å; N343-E346 PolarHBondContact O-N 3.24Å | ||
| 344 | E | 32.1 | Very low | 35.5 | Very low | 96 Ų | 96 | 98.4 Ų | 98.4 | 45% | 0.449 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -22.6 | 176.6 | -83.1 | -129.1 | 170.5 | 0 | 0 | 114.5 | T342 E346 K501 | T342-E344 PolarHBondContact O-N 3.03Å; E344-E346 VanDerWaalsContact C-N 3.3Å; E344-E346 PolarHBondContact O-N 2.97Å; E344-K501 IonicContact OE1-NZ 3.42Å; E344-K501 PolarHBondContact OE1-NZ 2.89Å; E344-K501 IonicContact OE2-NZ 3.71Å; E344-K501 PolarHBondContact OE2-NZ 3.23Å |
| 345 | N | 30.2 | Very low | 36.8 | Very low | 131 Ų | 131 | 94.5 Ų | 94.5 | 70% | 0.701 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -17.6 | 179.6 | -80.3 | -26.4 | 0 | 0 | 0 | 114.9 | N343 L347 I348 | N343-N345 PolarHBondContact O-N 2.91Å; N343-N345 VanDerWaalsContact O-N 3.15Å; N345-L347 PolarHBondContact O-N 3.1Å; N345-L347 VanDerWaalsContact O-N 3.17Å; N345-I348 PolarHBondContact O-N 2.94Å |
| 346 | E | 33.3 | Very low | 38.2 | Very low | 102 Ų | 102 | 88.6 Ų | 88.6 | 48% | 0.477 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -59.3 | -29.1 | 179.3 | -78.5 | -155.3 | 147.7 | 0 | 0 | 113.4 | N343 E344 I348 N350 | N343-E346 PolarHBondContact O-N 3.24Å; E344-E346 VanDerWaalsContact C-N 3.3Å; E344-E346 PolarHBondContact O-N 2.97Å; E346-I348 VanDerWaalsContact C-N 3.29Å; E346-I348 PolarHBondContact O-N 2.98Å; E346-N350 VanDerWaalsContact O-CB 3.29Å; E346-N350 WeakPolarHBondContact O-CB 3.34Å; E346-N350 PolarHBondContact O-N 3.35Å; E346-N350 PolarHBondContact O-ND2 3.41Å |
| 347 | L | 35.2 | Very low | 39.8 | Very low | 96 Ų | 96 | 77.9 Ų | 77.9 | 50% | 0.503 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -75.2 | -13.8 | -171.8 | -89.3 | 160.3 | 0 | 0 | 0 | 114.6 | N345 | N345-L347 PolarHBondContact O-N 3.1Å; N345-L347 VanDerWaalsContact O-N 3.17Å |
| 348 | I | 38.4 | Very low | 40.9 | Very low | 113 Ų | 113 | 75.8 Ų | 75.8 | 58% | 0.579 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -85 | -34.2 | -175.7 | -61 | 178.4 | 0 | 0 | 0 | 111.6 | N345 E346 | N345-I348 PolarHBondContact O-N 2.94Å; E346-I348 VanDerWaalsContact C-N 3.29Å; E346-I348 PolarHBondContact O-N 2.98Å |
| 349 | I | 44.1 | Very low | 42.3 | Very low | 74 Ų | 74 | 71.4 Ų | 71.4 | 38% | 0.379 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -104.4 | -24.7 | -169.8 | -58.3 | 177.4 | 0 | 0 | 0 | 112.8 | S351 | I349-S351 PolarHBondContact O-N 3.09Å |
| 350 | N | 45.9 | Very low | 43.5 | Very low | 65 Ų | 65 | 66.1 Ų | 66.1 | 35% | 0.348 | 35% | 0.345 | S | S | . | . | trans | -67.3 | 18.9 | -169.7 | -94.4 | -40.6 | 0 | 0 | 0 | 118.2 | E346 | E346-N350 VanDerWaalsContact O-CB 3.29Å; E346-N350 WeakPolarHBondContact O-CB 3.34Å; E346-N350 PolarHBondContact O-N 3.35Å; E346-N350 PolarHBondContact O-ND2 3.41Å | ||
| 351 | S | 50.8 | Low | 44.6 | Very low | 8 Ų | 8 | 61.2 Ų | 61.2 | 6% | 0.056 | 32% | 0.324 | C | S | . | . | trans | -115.4 | 100 | 165.7 | -178.4 | 0 | 0 | 0 | 0 | 108.9 | I349 V353 R354 Y355 D461 | I349-S351 PolarHBondContact O-N 3.09Å; S351-V353 PolarHBondContact O-N 2.72Å; S351-R354 WeakPolarHBondContact O-CA 3.47Å; S351-R354 WeakPolarHBondContact O-CB 3.4Å; S351-R354 PolarHBondContact O-N 3.31Å; S351-Y355 PolarHBondContact O-N 3.45Å; S351-D461 WeakPolarHBondContact CB-OD2 3.41Å; S351-D461 PolarHBondContact OG-OD2 2.9Å | ||
| 352 | P | 51.5 | Low | 45.6 | Very low | 28 Ų | 28 | 55.8 Ų | 55.8 | 18% | 0.182 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -51 | -32.2 | 177.9 | -30.2 | 33.7 | 0 | 0 | 0 | 114 | L182 Y279 Y355 I356 | L182-P352 HydrophobicContact CD2-CB 4.32Å; L182-P352 HydrophobicContact CD2-CG 3.66Å; Y279-P352 WeakPolarHBondContact O-CD 3.49Å; P352-Y355 PolarHBondContact O-N 3.04Å; P352-I356 WeakPolarHBondContact O-CB 3.3Å; P352-I356 WeakPolarHBondContact O-CG1 3.41Å; P352-I356 PolarHBondContact O-N 2.83Å |
| 353 | V | 54.8 | Low | 46.9 | Very low | 10 Ų | 10 | 53 Ų | 53 | 6% | 0.061 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.6 | -41.4 | 175 | -162.4 | 0 | 0 | 0 | 0 | 110.9 | Y279 S351 I356 V357 L418 D465 | Y279-V353 HydrophobicContact CD2-CG2 4.39Å; Y279-V353 HydrophobicContact CG-CG2 4.45Å; S351-V353 PolarHBondContact O-N 2.72Å; V353-I356 PolarHBondContact O-N 3.17Å; V353-V357 HydrophobicContact CG1-CG2 4.39Å; V353-V357 VanDerWaalsContact O-CB 3.23Å; V353-V357 WeakPolarHBondContact O-CB 3.33Å; V353-V357 WeakPolarHBondContact O-CG2 3.44Å; V353-V357 PolarHBondContact O-N 3.23Å; V353-L418 HydrophobicContact CG1-CB 4.35Å; V353-L418 HydrophobicContact CG1-CD1 4.38Å; V353-D465 WeakPolarHBondContact CG1-OD1 3.33Å |
| 354 | R | 55.8 | Low | 48.1 | Very low | 25 Ų | 25 | 53.2 Ų | 53.2 | 9% | 0.094 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.5 | -39.6 | 172.5 | -69.2 | -171.3 | -167.2 | -179.5 | -0 | 113.3 | S351 V357 I358 D461 L464 S502 | S351-R354 WeakPolarHBondContact O-CA 3.47Å; S351-R354 WeakPolarHBondContact O-CB 3.4Å; S351-R354 PolarHBondContact O-N 3.31Å; R354-V357 VanDerWaalsContact O-CB 3.31Å; R354-V357 WeakPolarHBondContact O-CB 3.38Å; R354-V357 PolarHBondContact O-N 3.07Å; R354-I358 VanDerWaalsContact O-CG1 3.29Å; R354-I358 WeakPolarHBondContact O-CG1 3.34Å; R354-I358 PolarHBondContact O-N 3.08Å; R354-D461 IonicContact CZ-OD1 3.44Å; R354-D461 IonicContact NE-OD1 3.32Å; R354-D461 PolarHBondContact NE-OD1 3.35Å; R354-D461 IonicContact NE-OD2 2.68Å; R354-D461 IonicContact NH2-OD1 2.65Å; R354-D461 PolarHBondContact NH2-OD1 2.84Å; R354-L464 HydrophobicContact CG-CD1 4.41Å; R354-S502 PolarHBondContact NH1-O 2.93Å |
| 355 | Y | 53.7 | Low | 48.9 | Very low | 37 Ų | 37 | 51.4 Ų | 51.4 | 15% | 0.145 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.1 | -51.4 | 175.4 | -179.7 | -97.8 | 0 | 0 | 0 | 110.4 | F188 I210 S351 P352 V357 I358 V359 | F188-Y355 HydrophobicContact CB-CE2 4.21Å; F188-Y355 AromaticContact CD1-CZ 3.84Å; F188-Y355 WeakPolarHBondContact CD1-OH 3.37Å; I210-Y355 HydrophobicContact CD1-CE1 3.98Å; S351-Y355 PolarHBondContact O-N 3.45Å; P352-Y355 PolarHBondContact O-N 3.04Å; Y355-V357 VanDerWaalsContact C-N 3.31Å; Y355-V357 PolarHBondContact O-N 3.42Å; Y355-I358 PolarHBondContact O-N 3.33Å; Y355-V359 HydrophobicContact CD1-CG2 4.21Å; Y355-V359 HydrophobicContact CE1-CG2 3.72Å; Y355-V359 HydrophobicContact CE2-CG2 4.1Å; Y355-V359 WeakPolarHBondContact O-CG2 3.47Å; Y355-V359 PolarHBondContact O-N 3.32Å |
| 356 | I | 56.7 | Low | 49.9 | Very low | 20 Ų | 20 | 48.5 Ų | 48.5 | 10% | 0.103 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.1 | -35.1 | 175.6 | -72 | 168.5 | 0 | 0 | 0 | 112.2 | I210 P352 V353 M360 F411 L418 | I210-I356 HydrophobicContact CG2-CD1 3.82Å; I210-I356 HydrophobicContact CG2-CG1 4.11Å; P352-I356 WeakPolarHBondContact O-CB 3.3Å; P352-I356 WeakPolarHBondContact O-CG1 3.41Å; P352-I356 PolarHBondContact O-N 2.83Å; V353-I356 PolarHBondContact O-N 3.17Å; I356-M360 HydrophobicContact CG2-CE 3.52Å; I356-M360 WeakPolarHBondContact O-CB 3.48Å; I356-M360 WeakPolarHBondContact O-CG 3.2Å; I356-M360 PolarHBondContact O-N 2.98Å; I356-F411 HydrophobicContact CG2-CE2 4.48Å; I356-F411 HydrophobicContact CG2-CZ 4.13Å; I356-L418 HydrophobicContact CB-CD1 4.41Å; I356-L418 HydrophobicContact CD1-CD1 3.67Å; I356-L418 HydrophobicContact CG2-CD1 4.07Å |
| 357 | V | 54.8 | Low | 50.8 | Low | 18 Ų | 18 | 46.3 Ų | 46.3 | 11% | 0.109 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.2 | -45.5 | 172.8 | 152.7 | 0 | 0 | 0 | 0 | 111.9 | V353 R354 Y355 A361 R468 | V353-V357 HydrophobicContact CG1-CG2 4.39Å; V353-V357 VanDerWaalsContact O-CB 3.23Å; V353-V357 WeakPolarHBondContact O-CB 3.33Å; V353-V357 WeakPolarHBondContact O-CG2 3.44Å; V353-V357 PolarHBondContact O-N 3.23Å; R354-V357 VanDerWaalsContact O-CB 3.31Å; R354-V357 WeakPolarHBondContact O-CB 3.38Å; R354-V357 PolarHBondContact O-N 3.07Å; Y355-V357 VanDerWaalsContact C-N 3.31Å; Y355-V357 PolarHBondContact O-N 3.42Å; V357-A361 WeakPolarHBondContact O-CB 3.44Å; V357-A361 PolarHBondContact O-N 3.23Å; V357-R468 VanDerWaalsContact CG2-CZ 3.47Å; V357-R468 PolarHBondContact O-NH2 3.21Å |
| 358 | I | 52 | Low | 51.5 | Low | 57 Ų | 57 | 47.2 Ų | 47.2 | 29% | 0.292 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -72.8 | -51 | -179.6 | -68.4 | 163.7 | 0 | 0 | 0 | 109.8 | R354 Y355 M360 A361 S362 Y506 | R354-I358 VanDerWaalsContact O-CG1 3.29Å; R354-I358 WeakPolarHBondContact O-CG1 3.34Å; R354-I358 PolarHBondContact O-N 3.08Å; Y355-I358 PolarHBondContact O-N 3.33Å; I358-M360 VanDerWaalsContact C-N 3.34Å; I358-M360 PolarHBondContact O-N 3.11Å; I358-A361 CarbonylContact O-C 3.59Å; I358-A361 WeakPolarHBondContact O-CA 3.09Å; I358-A361 WeakPolarHBondContact O-CB 3.36Å; I358-A361 PolarHBondContact O-N 2.86Å; I358-S362 WeakPolarHBondContact O-CB 3.28Å; I358-S362 PolarHBondContact O-N 3.1Å; I358-S362 PolarHBondContact O-OG 2.81Å; I358-Y506 HydrophobicContact CG1-CE1 4.17Å |
| 359 | V | 53.6 | Low | 51.9 | Low | 9 Ų | 9 | 48.5 Ų | 48.5 | 6% | 0.055 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -56.1 | -46.8 | 178.7 | 174.6 | 0 | 0 | 0 | 0 | 111.2 | I207 Y355 A361 S362 M363 F411 | I207-V359 HydrophobicContact CG1-CG1 4.44Å; Y355-V359 HydrophobicContact CD1-CG2 4.21Å; Y355-V359 HydrophobicContact CE1-CG2 3.72Å; Y355-V359 HydrophobicContact CE2-CG2 4.1Å; Y355-V359 WeakPolarHBondContact O-CG2 3.47Å; Y355-V359 PolarHBondContact O-N 3.32Å; V359-A361 VanDerWaalsContact C-N 3.32Å; V359-A361 PolarHBondContact O-N 3.48Å; V359-S362 PolarHBondContact O-N 2.82Å; V359-M363 HydrophobicContact CG1-CG 4.28Å; V359-M363 HydrophobicContact CG1-SD 3.84Å; V359-M363 WeakPolarHBondContact O-CB 3.09Å; V359-M363 VanDerWaalsContact O-CG 3.24Å; V359-M363 WeakPolarHBondContact O-CG 3.27Å; V359-M363 PolarHBondContact O-N 2.81Å; V359-F411 HydrophobicContact CG1-CE1 4.08Å |
| 360 | M | 57.2 | Low | 51.8 | Low | 25 Ų | 25 | 48.5 Ų | 48.5 | 12% | 0.123 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.7 | -35 | 174.7 | -79.4 | -166.1 | -81.1 | 0 | 0 | 113.7 | I356 I358 K364 F411 P416 | I356-M360 HydrophobicContact CG2-CE 3.52Å; I356-M360 WeakPolarHBondContact O-CB 3.48Å; I356-M360 WeakPolarHBondContact O-CG 3.2Å; I356-M360 PolarHBondContact O-N 2.98Å; I358-M360 VanDerWaalsContact C-N 3.34Å; I358-M360 PolarHBondContact O-N 3.11Å; M360-K364 WeakPolarHBondContact O-CB 3.08Å; M360-K364 WeakPolarHBondContact O-CG 3.35Å; M360-K364 PolarHBondContact O-N 2.86Å; M360-F411 HydrophobicContact CG-CD1 4.31Å; M360-F411 HydrophobicContact CG-CE1 3.68Å; M360-F411 HydrophobicContact CG-CZ 4Å; M360-P416 HydrophobicContact CE-CB 3.67Å; M360-P416 HydrophobicContact CE-CG 4.46Å; M360-P416 HydrophobicContact SD-CB 4.17Å |
| 361 | A | 51.2 | Low | 51.9 | Low | 36 Ų | 36 | 51.4 Ų | 51.4 | 30% | 0.298 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -71.5 | -46.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | V357 I358 V359 K364 A365 | V357-A361 WeakPolarHBondContact O-CB 3.44Å; V357-A361 PolarHBondContact O-N 3.23Å; I358-A361 CarbonylContact O-C 3.59Å; I358-A361 WeakPolarHBondContact O-CA 3.09Å; I358-A361 WeakPolarHBondContact O-CB 3.36Å; I358-A361 PolarHBondContact O-N 2.86Å; V359-A361 VanDerWaalsContact C-N 3.32Å; V359-A361 PolarHBondContact O-N 3.48Å; A361-K364 CarbonylContact O-C 3.59Å; A361-K364 PolarHBondContact O-N 3.3Å; A361-A365 WeakPolarHBondContact O-CB 3.48Å; A361-A365 PolarHBondContact O-N 3.34Å |
| 362 | S | 50.2 | Low | 51.6 | Low | 23 Ų | 23 | 56.7 Ų | 56.7 | 16% | 0.161 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65 | -41.4 | 177.4 | -62.6 | 0 | 0 | 0 | 0 | 112.6 | Y192 I358 V359 K364 A365 L366 | Y192-S362 WeakPolarHBondContact CE1-OG 3.26Å; Y192-S362 WeakPolarHBondContact OH-CB 3.46Å; Y192-S362 PolarHBondContact OH-OG 2.83Å; I358-S362 WeakPolarHBondContact O-CB 3.28Å; I358-S362 PolarHBondContact O-N 3.1Å; I358-S362 PolarHBondContact O-OG 2.81Å; V359-S362 PolarHBondContact O-N 2.82Å; S362-K364 VanDerWaalsContact C-N 3.31Å; S362-K364 PolarHBondContact O-N 2.94Å; S362-A365 PolarHBondContact O-N 3.39Å; S362-L366 WeakPolarHBondContact O-CB 3.15Å; S362-L366 PolarHBondContact O-N 2.99Å |
| 363 | M | 54.3 | Low | 51.1 | Low | 25 Ų | 25 | 60.4 Ų | 60.4 | 12% | 0.123 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.6 | -38.5 | 173.5 | -70.9 | 179.6 | 84.2 | 0 | 0 | 111.7 | I207 V359 L367 I408 F411 I412 | I207-M363 HydrophobicContact CD1-CE 3.77Å; I207-M363 HydrophobicContact CD1-SD 3.69Å; I207-M363 HydrophobicContact CG1-SD 4.45Å; V359-M363 HydrophobicContact CG1-CG 4.28Å; V359-M363 HydrophobicContact CG1-SD 3.84Å; V359-M363 WeakPolarHBondContact O-CB 3.09Å; V359-M363 VanDerWaalsContact O-CG 3.24Å; V359-M363 WeakPolarHBondContact O-CG 3.27Å; V359-M363 PolarHBondContact O-N 2.81Å; M363-L367 WeakPolarHBondContact O-CB 3.43Å; M363-L367 WeakPolarHBondContact O-CD1 3.38Å; M363-L367 VanDerWaalsContact O-CG 3.32Å; M363-L367 WeakPolarHBondContact O-CG 3.4Å; M363-L367 PolarHBondContact O-N 3.37Å; M363-I408 HydrophobicContact CE-CG2 3.97Å; M363-F411 HydrophobicContact SD-CD1 4.15Å; M363-F411 HydrophobicContact SD-CE1 4.28Å; M363-I412 HydrophobicContact CE-CD1 4.1Å; M363-I412 HydrophobicContact CE-CG1 4.16Å |
| 364 | K | 54.5 | Low | 50.5 | Low | 119 Ų | 119 | 64.4 Ų | 64.4 | 52% | 0.517 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -70.6 | -33.7 | 173.7 | -75.6 | -177.5 | 178 | -177.3 | 0 | 112.9 | M360 A361 S362 K368 | M360-K364 WeakPolarHBondContact O-CB 3.08Å; M360-K364 WeakPolarHBondContact O-CG 3.35Å; M360-K364 PolarHBondContact O-N 2.86Å; A361-K364 CarbonylContact O-C 3.59Å; A361-K364 PolarHBondContact O-N 3.3Å; S362-K364 VanDerWaalsContact C-N 3.31Å; S362-K364 PolarHBondContact O-N 2.94Å; K364-K368 WeakPolarHBondContact O-CB 3.41Å; K364-K368 PolarHBondContact O-N 2.95Å |
| 365 | A | 49.6 | Very low | 49.5 | Very low | 59 Ų | 59 | 67.9 Ų | 67.9 | 49% | 0.488 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -68.7 | -42.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A361 S362 K368 Y369 | A361-A365 WeakPolarHBondContact O-CB 3.48Å; A361-A365 PolarHBondContact O-N 3.34Å; S362-A365 PolarHBondContact O-N 3.39Å; A365-K368 CarbonylContact O-C 3.46Å; A365-K368 PolarHBondContact O-N 3.24Å; A365-Y369 WeakPolarHBondContact O-CB 3.49Å; A365-Y369 PolarHBondContact O-N 2.99Å |
| 366 | L | 49.6 | Very low | 48.5 | Very low | 70 Ų | 70 | 74.3 Ų | 74.3 | 37% | 0.366 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.8 | -47.1 | 174.8 | -174.9 | 67.6 | 0 | 0 | 0 | 111.2 | F200 S362 K368 Y369 L370 | F200-L366 HydrophobicContact CE2-CD2 4.07Å; S362-L366 WeakPolarHBondContact O-CB 3.15Å; S362-L366 PolarHBondContact O-N 2.99Å; L366-K368 VanDerWaalsContact C-N 3.26Å; L366-K368 PolarHBondContact O-N 2.9Å; L366-Y369 PolarHBondContact O-N 3.46Å; L366-L370 HydrophobicContact CG-CD1 4.24Å; L366-L370 WeakPolarHBondContact O-CB 3.04Å; L366-L370 VanDerWaalsContact O-CG 3.29Å; L366-L370 WeakPolarHBondContact O-CG 3.41Å; L366-L370 PolarHBondContact O-N 3.28Å |
| 367 | L | 53.1 | Low | 47.3 | Very low | 55 Ų | 55 | 78.5 Ų | 78.5 | 29% | 0.288 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -58.2 | -37.5 | 172.4 | -79.9 | 163.1 | 0 | 0 | 0 | 112.4 | M363 Y371 V392 I412 | M363-L367 WeakPolarHBondContact O-CB 3.43Å; M363-L367 WeakPolarHBondContact O-CD1 3.38Å; M363-L367 VanDerWaalsContact O-CG 3.32Å; M363-L367 WeakPolarHBondContact O-CG 3.4Å; M363-L367 PolarHBondContact O-N 3.37Å; L367-Y371 WeakPolarHBondContact O-CB 3.46Å; L367-Y371 PolarHBondContact O-N 2.72Å; L367-Y371 VanDerWaalsContact O-N 3.08Å; L367-V392 HydrophobicContact CD2-CG1 4.33Å; L367-I412 HydrophobicContact CD1-CD1 3.98Å; L367-I412 HydrophobicContact CD1-CG1 4.37Å; L367-I412 HydrophobicContact CD1-CG2 4.04Å |
| 368 | K | 50 | Low | 46.2 | Very low | 116 Ų | 116 | 87 Ų | 87 | 50% | 0.504 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -71.8 | -39 | 176.3 | -170.4 | 177 | -176.1 | -92.6 | 0 | 112.5 | K364 A365 L366 Y371 Q372 | K364-K368 WeakPolarHBondContact O-CB 3.41Å; K364-K368 PolarHBondContact O-N 2.95Å; A365-K368 CarbonylContact O-C 3.46Å; A365-K368 PolarHBondContact O-N 3.24Å; L366-K368 VanDerWaalsContact C-N 3.26Å; L366-K368 PolarHBondContact O-N 2.9Å; K368-Y371 WeakPolarHBondContact O-CB 3.5Å; K368-Y371 PolarHBondContact O-N 3.25Å; K368-Q372 HydrophobicContact CG-CG 4.49Å; K368-Q372 WeakPolarHBondContact O-CG 3.41Å; K368-Q372 PolarHBondContact O-N 2.9Å |
| 369 | Y | 46 | Very low | 45.1 | Very low | 139 Ų | 139 | 90.2 Ų | 90.2 | 55% | 0.545 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.9 | -47.5 | 175.5 | 178.9 | -107.8 | 0 | 0 | 0 | 111.1 | A365 L366 Y371 Q372 N373 | A365-Y369 WeakPolarHBondContact O-CB 3.49Å; A365-Y369 PolarHBondContact O-N 2.99Å; L366-Y369 PolarHBondContact O-N 3.46Å; Y369-Y371 PolarHBondContact O-N 2.92Å; Y369-Q372 PolarHBondContact O-N 3.31Å; Y369-N373 PolarHBondContact O-N 2.92Å; Y369-N373 PolarHBondContact OH-ND2 3.2Å; Y369-N373 VanDerWaalsContact OH-ND2 3.17Å |
| 370 | L | 43 | Very low | 44 | Very low | 75 Ų | 75 | 96.2 Ų | 96.2 | 39% | 0.393 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.6 | -32 | 172.5 | -66.8 | 169.9 | 0 | 0 | 0 | 112.5 | L366 | L366-L370 HydrophobicContact CG-CD1 4.24Å; L366-L370 WeakPolarHBondContact O-CB 3.04Å; L366-L370 VanDerWaalsContact O-CG 3.29Å; L366-L370 WeakPolarHBondContact O-CG 3.41Å; L366-L370 PolarHBondContact O-N 3.28Å |
| 371 | Y | 47.1 | Very low | 42.9 | Very low | 125 Ų | 125 | 102 Ų | 102 | 49% | 0.49 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -72.8 | -28.5 | 173 | -116.9 | -95 | 0 | 0 | 0 | 114.2 | L367 K368 Y369 N375 L388 | L367-Y371 WeakPolarHBondContact O-CB 3.46Å; L367-Y371 PolarHBondContact O-N 2.72Å; L367-Y371 VanDerWaalsContact O-N 3.08Å; K368-Y371 WeakPolarHBondContact O-CB 3.5Å; K368-Y371 PolarHBondContact O-N 3.25Å; Y369-Y371 PolarHBondContact O-N 2.92Å; Y371-N375 PolarHBondContact O-ND2 3.27Å; Y371-L388 HydrophobicContact CD1-CD2 4.01Å; Y371-L388 HydrophobicContact CD2-CD2 4.44Å; Y371-L388 HydrophobicContact CE1-CD2 3.49Å; Y371-L388 VanDerWaalsContact CE1-CD2 3.49Å; Y371-L388 HydrophobicContact CE2-CD2 3.96Å; Y371-L388 HydrophobicContact CG-CD2 4.46Å; Y371-L388 VanDerWaalsContact CZ-CD2 3.47Å |
| 372 | Q | 44.4 | Very low | 41.8 | Very low | 119 Ų | 119 | 110.1 Ų | 110.1 | 56% | 0.556 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -91.1 | -26.1 | -171.8 | -77.1 | -168.4 | -110.1 | 0 | 0 | 113.7 | K368 Y369 E374 | K368-Q372 HydrophobicContact CG-CG 4.49Å; K368-Q372 WeakPolarHBondContact O-CG 3.41Å; K368-Q372 PolarHBondContact O-N 2.9Å; Y369-Q372 PolarHBondContact O-N 3.31Å; Q372-E374 VanDerWaalsContact C-N 3.3Å; Q372-E374 PolarHBondContact O-N 3.49Å |
| 373 | N | 42.1 | Very low | 41.1 | Very low | 107 Ų | 107 | 112.5 Ų | 112.5 | 57% | 0.572 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -1.6 | -178.7 | -73.4 | 16.4 | 0 | 0 | 0 | 114.7 | Y369 | Y369-N373 PolarHBondContact O-N 2.92Å; Y369-N373 PolarHBondContact OH-ND2 3.2Å; Y369-N373 VanDerWaalsContact OH-ND2 3.17Å |
| 374 | E | 41 | Very low | 40.1 | Very low | 94 Ų | 94 | 116.2 Ų | 116.2 | 44% | 0.439 | 59% | 0.587 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -112.8 | 12.3 | -177.1 | -65.8 | -176.1 | 165.5 | 0 | 0 | 113.5 | Q372 L388 H391 | Q372-E374 VanDerWaalsContact C-N 3.3Å; Q372-E374 PolarHBondContact O-N 3.49Å; E374-L388 WeakPolarHBondContact OE2-CD1 3.24Å; E374-H391 IonicContact OE1-CD2 3.57Å; E374-H391 PolarHBondContact OE1-CD2 2.94Å; E374-H391 IonicContact OE1-NE2 3.48Å; E374-H391 PolarHBondContact OE1-NE2 3.46Å; E374-H391 IonicContact OE2-CD2 3.44Å |
| 375 | N | 35.5 | Very low | 39 | Very low | 97 Ų | 97 | 115 Ų | 115 | 52% | 0.519 | 59% | 0.593 | S | S | . | * | trans | -133.8 | 39.5 | -166.1 | -75.5 | -78.4 | 0 | 0 | 0 | 116.7 | Y371 | Y371-N375 PolarHBondContact O-ND2 3.27Š| ||
| 376 | D | 32.2 | Very low | 38.4 | Very low | 173 Ų | 173 | 116.7 Ų | 116.7 | 93% | 0.925 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -92.6 | -2.4 | 170.7 | -100.9 | -30.7 | 0 | 0 | 0 | 114.3 | ||
| 377 | T | 32.1 | Very low | 37.9 | Very low | 107 Ų | 107 | 119.6 Ų | 119.6 | 66% | 0.656 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -134.8 | 167.6 | 166.7 | 52 | 0 | 0 | 0 | 0 | 110.2 | ||
| 378 | F | 31.4 | Very low | 37 | Very low | 197 Ų | 197 | 118.7 Ų | 118.7 | 86% | 0.864 | 60% | 0.603 | S | S | * | * | trans | 66.9 | 85.9 | -176.8 | -65.2 | -87 | 0 | 0 | 0 | 116.4 | ||||
| 379 | L | 29.3 | Very low | 36.5 | Very low | 124 Ų | 124 | 117.8 Ų | 117.8 | 65% | 0.649 | 60% | 0.601 | S | S | * | * | trans | -81.8 | 155.3 | 147.7 | -82.7 | 168.6 | 0 | 0 | 0 | 110 | ||||
| 380 | N | 29.6 | Very low | 36.5 | Very low | 135 Ų | 135 | 115.5 Ų | 115.5 | 72% | 0.722 | 60% | 0.598 | S | S | * | * | trans | 72.8 | 87.6 | 172.3 | -48.4 | -16.7 | 0 | 0 | 0 | 116.2 | ||||
| 381 | D | 33.9 | Very low | 36.5 | Very low | 148 Ų | 148 | 115.6 Ų | 115.6 | 79% | 0.791 | 60% | 0.596 | S | S | * | * | -176.9 | 159.6 | 105.4 | -96.4 | -15.4 | 0 | 0 | 0 | 113.4 | A383 | D381-A383 VanDerWaalsContact C-N 3.27Å; D381-A383 PolarHBondContact O-N 3.41Å | |||
| 382 | Q | 29.2 | Very low | 36.3 | Very low | 206 Ų | 206 | 111.4 Ų | 111.4 | 96% | 0.963 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | 8.7 | -169.4 | -74.5 | -170.3 | -29.7 | 0 | 0 | 116 | ||
| 383 | A | 35.7 | Very low | 36.6 | Very low | 73 Ų | 73 | 108 Ų | 108 | 60% | 0.603 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | -20.7 | -170 | 0 | 0 | 0 | 0 | 0 | 116 | D381 S385 | D381-A383 VanDerWaalsContact C-N 3.27Å; D381-A383 PolarHBondContact O-N 3.41Å; A383-S385 PolarHBondContact O-N 3.44Å |
| 384 | E | 34 | Very low | 37.1 | Very low | 102 Ų | 102 | 107.2 Ų | 107.2 | 48% | 0.477 | 57% | 0.568 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.4 | -3.7 | -158.6 | -66.4 | -85.5 | 109.6 | 0 | 0 | 115.7 | T386 K387 L388 | E384-T386 PolarHBondContact O-N 3.46Å; E384-K387 PolarHBondContact O-N 3.11Å; E384-K387 WeakPolarHBondContact OE1-CD 3.28Å; E384-K387 WeakPolarHBondContact OE1-CE 3.4Å; E384-K387 IonicContact OE1-NZ 3.45Å; E384-K387 PolarHBondContact OE1-NZ 2.68Å; E384-K387 WeakPolarHBondContact OE2-CD 3.42Å; E384-K387 IonicContact OE2-NZ 3.93Å; E384-K387 PolarHBondContact OE2-NZ 2.67Å; E384-L388 PolarHBondContact O-N 2.79Å |
| 385 | S | 30.9 | Very low | 37.6 | Very low | 93 Ų | 93 | 108.4 Ų | 108.4 | 65% | 0.65 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -55.1 | -22 | 179 | -175.5 | 0 | 0 | 0 | 0 | 113.5 | A383 H389 | A383-S385 PolarHBondContact O-N 3.44Å; S385-H389 WeakPolarHBondContact O-CB 3.41Å |
| 386 | T | 36.3 | Very low | 38.3 | Very low | 96 Ų | 96 | 105.4 Ų | 105.4 | 59% | 0.589 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -82.7 | -33 | 179.3 | -25 | 0 | 0 | 0 | 0 | 112.8 | E384 H389 N390 | E384-T386 PolarHBondContact O-N 3.46Å; T386-H389 WeakPolarHBondContact O-CB 3.16Å; T386-N390 PolarHBondContact O-N 2.79Å |
| 387 | K | 38.3 | Very low | 39.2 | Very low | 130 Ų | 130 | 100.9 Ų | 100.9 | 57% | 0.565 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -74.8 | -43.6 | 178.5 | -70.9 | -169.9 | -167.2 | 155 | 0 | 111.7 | E384 H389 N390 H391 | E384-K387 PolarHBondContact O-N 3.11Å; E384-K387 WeakPolarHBondContact OE1-CD 3.28Å; E384-K387 WeakPolarHBondContact OE1-CE 3.4Å; E384-K387 IonicContact OE1-NZ 3.45Å; E384-K387 PolarHBondContact OE1-NZ 2.68Å; E384-K387 WeakPolarHBondContact OE2-CD 3.42Å; E384-K387 IonicContact OE2-NZ 3.93Å; E384-K387 PolarHBondContact OE2-NZ 2.67Å; K387-H389 VanDerWaalsContact C-N 3.25Å; K387-H389 PolarHBondContact O-N 3.13Å; K387-N390 WeakPolarHBondContact O-CA 3.47Å; K387-N390 WeakPolarHBondContact O-CB 3.47Å; K387-N390 PolarHBondContact O-N 3.02Å; K387-H391 PolarHBondContact O-N 3.26Å |
| 388 | L | 34.9 | Very low | 40.2 | Very low | 37 Ų | 37 | 98.7 Ų | 98.7 | 19% | 0.194 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -65.7 | -31.4 | 177.3 | -166 | 63 | 0 | 0 | 0 | 111.7 | Y371 E374 E384 N390 V392 | Y371-L388 HydrophobicContact CD1-CD2 4.01Å; Y371-L388 HydrophobicContact CD2-CD2 4.44Å; Y371-L388 HydrophobicContact CE1-CD2 3.49Å; Y371-L388 VanDerWaalsContact CE1-CD2 3.49Å; Y371-L388 HydrophobicContact CE2-CD2 3.96Å; Y371-L388 HydrophobicContact CG-CD2 4.46Å; Y371-L388 VanDerWaalsContact CZ-CD2 3.47Å; E374-L388 WeakPolarHBondContact OE2-CD1 3.24Å; E384-L388 PolarHBondContact O-N 2.79Å; L388-N390 VanDerWaalsContact C-N 3.34Å; L388-V392 PolarHBondContact O-N 2.83Å |
| 389 | H | 39.4 | Very low | 41.2 | Very low | 97 Ų | 97 | 89.9 Ų | 89.9 | 45% | 0.449 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.4 | -45.2 | 168.5 | -159.6 | 75.4 | 0 | 0 | 0 | 111.4 | S385 T386 K387 I393 R409 | S385-H389 WeakPolarHBondContact O-CB 3.41Å; T386-H389 WeakPolarHBondContact O-CB 3.16Å; K387-H389 VanDerWaalsContact C-N 3.25Å; K387-H389 PolarHBondContact O-N 3.13Å; H389-I393 VanDerWaalsContact CD2-CD1 3.45Å; H389-I393 WeakPolarHBondContact CD2-CD1 3.35Å; H389-I393 WeakPolarHBondContact O-CB 3.47Å; H389-I393 WeakPolarHBondContact O-CD1 3.49Å; H389-I393 VanDerWaalsContact O-CG1 3.23Å; H389-I393 WeakPolarHBondContact O-CG1 3.47Å; H389-I393 PolarHBondContact O-N 3Å; H389-I393 VanDerWaalsContact O-N 3.17Å; H389-R409 PolarHBondContact NE2-NH2 3.11Å |
| 390 | N | 45.5 | Very low | 42.3 | Very low | 90 Ų | 90 | 91.8 Ų | 91.8 | 48% | 0.481 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.9 | -43.1 | -180 | -71.5 | -11.1 | 0 | 0 | 0 | 112.7 | T386 K387 L388 V392 I393 T394 | T386-N390 PolarHBondContact O-N 2.79Å; K387-N390 WeakPolarHBondContact O-CA 3.47Å; K387-N390 WeakPolarHBondContact O-CB 3.47Å; K387-N390 PolarHBondContact O-N 3.02Å; L388-N390 VanDerWaalsContact C-N 3.34Å; N390-V392 PolarHBondContact O-N 3.29Å; N390-I393 CarbonylContact O-C 3.52Å; N390-I393 WeakPolarHBondContact O-CA 3.43Å; N390-I393 WeakPolarHBondContact O-CB 3.29Å; N390-I393 PolarHBondContact O-N 3.15Å; N390-I393 VanDerWaalsContact O-N 3.08Å; N390-T394 PolarHBondContact O-N 3.22Å; N390-T394 PolarHBondContact O-OG1 2.93Å |
| 391 | H | 44.4 | Very low | 43.8 | Very low | 78 Ų | 78 | 88.3 Ų | 88.3 | 36% | 0.361 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65 | -39.9 | -178 | -168.7 | 64.1 | 0 | 0 | 0 | 113.6 | E374 K387 I393 T394 K395 | E374-H391 IonicContact OE1-CD2 3.57Å; E374-H391 PolarHBondContact OE1-CD2 2.94Å; E374-H391 IonicContact OE1-NE2 3.48Å; E374-H391 PolarHBondContact OE1-NE2 3.46Å; E374-H391 IonicContact OE2-CD2 3.44Å; K387-H391 PolarHBondContact O-N 3.26Å; H391-I393 VanDerWaalsContact C-N 3.29Å; H391-I393 PolarHBondContact O-N 2.82Å; H391-T394 PolarHBondContact O-N 3.24Å; H391-K395 PolarHBondContact NE2-NZ 3.24Å; H391-K395 VanDerWaalsContact NE2-NZ 3.19Å; H391-K395 PolarHBondContact O-N 3.36Å; H391-K395 VanDerWaalsContact O-N 3.16Å |
| 392 | V | 42.6 | Very low | 45.1 | Very low | 37 Ų | 37 | 85.3 Ų | 85.3 | 22% | 0.224 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -65.2 | -36.2 | 172.7 | 177.7 | 0 | 0 | 0 | 0 | 110.7 | L367 L388 N390 L396 | L367-V392 HydrophobicContact CD2-CG1 4.33Å; L388-V392 PolarHBondContact O-N 2.83Å; N390-V392 PolarHBondContact O-N 3.29Å; V392-L396 HydrophobicContact CG1-CD1 4.17Å; V392-L396 WeakPolarHBondContact O-CB 3.39Å; V392-L396 WeakPolarHBondContact O-CG 3.4Å; V392-L396 PolarHBondContact O-N 3.44Å; V392-L396 VanDerWaalsContact O-N 3.12Å |
| 393 | I | 50.8 | Low | 46.7 | Very low | 47 Ų | 47 | 80 Ų | 80 | 24% | 0.241 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -65 | -43.2 | 171.3 | -72.6 | 168.4 | 0 | 0 | 0 | 111.2 | H389 N390 H391 K395 L396 V397 | H389-I393 VanDerWaalsContact CD2-CD1 3.45Å; H389-I393 WeakPolarHBondContact CD2-CD1 3.35Å; H389-I393 WeakPolarHBondContact O-CB 3.47Å; H389-I393 WeakPolarHBondContact O-CD1 3.49Å; H389-I393 VanDerWaalsContact O-CG1 3.23Å; H389-I393 WeakPolarHBondContact O-CG1 3.47Å; H389-I393 PolarHBondContact O-N 3Å; H389-I393 VanDerWaalsContact O-N 3.17Å; N390-I393 CarbonylContact O-C 3.52Å; N390-I393 WeakPolarHBondContact O-CA 3.43Å; N390-I393 WeakPolarHBondContact O-CB 3.29Å; N390-I393 PolarHBondContact O-N 3.15Å; N390-I393 VanDerWaalsContact O-N 3.08Å; H391-I393 VanDerWaalsContact C-N 3.29Å; H391-I393 PolarHBondContact O-N 2.82Å; I393-K395 VanDerWaalsContact C-N 3.32Å; I393-K395 PolarHBondContact O-N 3.26Å; I393-L396 CarbonylContact O-C 3.42Å; I393-L396 WeakPolarHBondContact O-CA 3.48Å; I393-L396 PolarHBondContact O-N 3.36Å; I393-V397 HydrophobicContact CG2-CG2 3.88Å; I393-V397 WeakPolarHBondContact O-CB 3.33Å; I393-V397 VanDerWaalsContact O-CG2 3.27Å; I393-V397 WeakPolarHBondContact O-CG2 3.26Å; I393-V397 PolarHBondContact O-N 3.1Å |
| 394 | T | 53.1 | Low | 47.8 | Very low | 91 Ų | 91 | 77.1 Ų | 77.1 | 56% | 0.558 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -60.2 | -40.1 | -179.6 | -53.5 | 0 | 0 | 0 | 0 | 112 | N390 H391 V397 | N390-T394 PolarHBondContact O-N 3.22Å; N390-T394 PolarHBondContact O-OG1 2.93Å; H391-T394 PolarHBondContact O-N 3.24Å; T394-V397 PolarHBondContact O-N 3.41Å |
| 395 | K | 50.3 | Low | 49 | Very low | 118 Ų | 118 | 73.6 Ų | 73.6 | 51% | 0.513 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -69.1 | -37.5 | 173 | -76.5 | 168.4 | 179.1 | 161.8 | 0 | 112.1 | H391 I393 V397 S398 | H391-K395 PolarHBondContact NE2-NZ 3.24Å; H391-K395 VanDerWaalsContact NE2-NZ 3.19Å; H391-K395 PolarHBondContact O-N 3.36Å; H391-K395 VanDerWaalsContact O-N 3.16Å; I393-K395 VanDerWaalsContact C-N 3.32Å; I393-K395 PolarHBondContact O-N 3.26Å; K395-V397 VanDerWaalsContact C-N 3.34Å; K395-S398 PolarHBondContact O-OG 2.79Å |
| 396 | L | 49.7 | Very low | 50.6 | Low | 34 Ų | 34 | 73.5 Ų | 73.5 | 18% | 0.178 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -69.7 | -24.8 | 173 | -73 | 169.8 | 0 | 0 | 0 | 114 | F200 V392 I393 S398 L399 | F200-L396 HydrophobicContact CE1-CD2 3.89Å; F200-L396 HydrophobicContact CZ-CD2 4.01Å; V392-L396 HydrophobicContact CG1-CD1 4.17Å; V392-L396 WeakPolarHBondContact O-CB 3.39Å; V392-L396 WeakPolarHBondContact O-CG 3.4Å; V392-L396 PolarHBondContact O-N 3.44Å; V392-L396 VanDerWaalsContact O-N 3.12Å; I393-L396 CarbonylContact O-C 3.42Å; I393-L396 WeakPolarHBondContact O-CA 3.48Å; I393-L396 PolarHBondContact O-N 3.36Å; L396-S398 PolarHBondContact O-N 3.33Å; L396-L399 HydrophobicContact CD2-CD1 4.23Å; L396-L399 VanDerWaalsContact O-CB 3.25Å; L396-L399 WeakPolarHBondContact O-CB 3.34Å; L396-L399 PolarHBondContact O-N 3.04Å |
| 397 | V | 51.4 | Low | 51.7 | Low | 79 Ų | 79 | 69.6 Ų | 69.6 | 48% | 0.479 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -14.7 | 178.2 | 158 | 0 | 0 | 0 | 0 | 112.5 | I393 T394 K395 L399 | I393-V397 HydrophobicContact CG2-CG2 3.88Å; I393-V397 WeakPolarHBondContact O-CB 3.33Å; I393-V397 VanDerWaalsContact O-CG2 3.27Å; I393-V397 WeakPolarHBondContact O-CG2 3.26Å; I393-V397 PolarHBondContact O-N 3.1Å; T394-V397 PolarHBondContact O-N 3.41Å; K395-V397 VanDerWaalsContact C-N 3.34Å; V397-L399 PolarHBondContact O-N 2.83Å |
| 398 | S | 53.9 | Low | 52.6 | Low | 60 Ų | 60 | 63.7 Ų | 63.7 | 42% | 0.42 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -21.2 | 164.4 | 65.4 | 0 | 0 | 0 | 0 | 113.3 | K395 L396 N400 | K395-S398 PolarHBondContact O-OG 2.79Å; L396-S398 PolarHBondContact O-N 3.33Å; S398-N400 PolarHBondContact O-N 3.37Å |
| 399 | L | 52 | Low | 53.6 | Low | 12 Ų | 12 | 67 Ų | 67 | 6% | 0.063 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -81.7 | 95 | 165.8 | -60.6 | 166.1 | 0 | 0 | 0 | 109 | F200 Q201 A204 L396 V397 N401 I404 I408 | F200-L399 HydrophobicContact CD1-CD1 4.48Å; F200-L399 HydrophobicContact CE1-CD1 4.04Å; Q201-L399 HydrophobicContact CB-CD2 4.16Å; Q201-L399 HydrophobicContact CG-CD2 3.79Å; A204-L399 HydrophobicContact CB-CD1 4Å; A204-L399 HydrophobicContact CB-CD2 4.13Å; L396-L399 HydrophobicContact CD2-CD1 4.23Å; L396-L399 VanDerWaalsContact O-CB 3.25Å; L396-L399 WeakPolarHBondContact O-CB 3.34Å; L396-L399 PolarHBondContact O-N 3.04Å; V397-L399 PolarHBondContact O-N 2.83Å; L399-N401 PolarHBondContact O-N 2.87Å; L399-I404 HydrophobicContact CD1-CG2 4.28Å; L399-I408 HydrophobicContact CD1-CD1 4.36Å |
| 400 | N | 52.3 | Low | 54.7 | Low | 164 Ų | 164 | 63.8 Ų | 63.8 | 88% | 0.877 | 34% | 0.344 | S | S | * | . | trans | -65.4 | 38.3 | 178.3 | -91.4 | -20.8 | 0 | 0 | 0 | 115 | S398 | S398-N400 PolarHBondContact O-N 3.37Š| ||
| 401 | N | 60.5 | Low | 55.2 | Low | 62 Ų | 62 | 60 Ų | 60 | 33% | 0.332 | 32% | 0.323 | S | S | . | . | trans | -144.7 | 106.3 | 177.2 | -172 | -36.9 | 0 | 0 | 0 | 111.1 | L399 N403 I404 I405 | L399-N401 PolarHBondContact O-N 2.87Å; N401-N403 PolarHBondContact O-N 3.21Å; N401-N403 WeakPolarHBondContact OD1-CB 3.48Å; N401-N403 PolarHBondContact OD1-N 3.41Å; N401-I404 HydrophobicContact CB-CB 4.29Å; N401-I404 HydrophobicContact CB-CD1 3.92Å; N401-I404 HydrophobicContact CB-CG1 4.03Å; N401-I404 WeakPolarHBondContact O-CB 3.5Å; N401-I404 PolarHBondContact O-N 2.92Å; N401-I404 PolarHBondContact OD1-N 3.19Å; N401-I405 PolarHBondContact O-N 2.86Å | ||
| 402 | P | 62.2 | Low | 55.7 | Low | 86 Ų | 86 | 58.5 Ų | 58.5 | 56% | 0.558 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -66.8 | -22.3 | -177.1 | 27.2 | -34.7 | 0 | 0 | 0 | 113.5 | I405 N406 | P402-I405 PolarHBondContact O-N 2.93Å; P402-N406 WeakPolarHBondContact O-CB 3.49Å; P402-N406 PolarHBondContact O-N 2.88Å; P402-N406 PolarHBondContact O-ND2 3.09Å |
| 403 | N | 62.6 | Low | 56.3 | Low | 93 Ų | 93 | 61.9 Ų | 61.9 | 50% | 0.497 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -72.2 | -33.3 | 176.9 | -59.6 | -14.8 | 0 | 0 | 0 | 111.4 | H208 N401 S407 | H208-N403 VanDerWaalsContact NE2-CB 3.34Å; H208-N403 WeakPolarHBondContact NE2-CB 3.18Å; N401-N403 PolarHBondContact O-N 3.21Å; N401-N403 WeakPolarHBondContact OD1-CB 3.48Å; N401-N403 PolarHBondContact OD1-N 3.41Å; N403-S407 WeakPolarHBondContact O-CB 3.37Å; N403-S407 PolarHBondContact O-N 3.47Å; N403-S407 PolarHBondContact O-OG 3.47Å |
| 404 | I | 59.4 | Low | 56.4 | Low | 13 Ų | 13 | 62.2 Ų | 62.2 | 7% | 0.067 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.3 | -48.2 | 170.1 | -66.1 | -179.5 | 0 | 0 | 0 | 110 | A204 K205 H208 L399 N401 N406 S407 I408 | A204-I404 HydrophobicContact CB-CG2 3.71Å; K205-I404 HydrophobicContact CG-CD1 3.85Å; H208-I404 HydrophobicContact CB-CG1 4.29Å; L399-I404 HydrophobicContact CD1-CG2 4.28Å; N401-I404 HydrophobicContact CB-CB 4.29Å; N401-I404 HydrophobicContact CB-CD1 3.92Å; N401-I404 HydrophobicContact CB-CG1 4.03Å; N401-I404 WeakPolarHBondContact O-CB 3.5Å; N401-I404 PolarHBondContact O-N 2.92Å; N401-I404 PolarHBondContact OD1-N 3.19Å; I404-N406 PolarHBondContact O-N 3.18Å; I404-S407 PolarHBondContact O-N 2.78Å; I404-I408 HydrophobicContact CG2-CD1 3.76Å; I404-I408 HydrophobicContact CG2-CG1 4.46Å; I404-I408 WeakPolarHBondContact O-CB 3.5Å; I404-I408 WeakPolarHBondContact O-CG1 3.45Å; I404-I408 PolarHBondContact O-N 3.28Å |
| 405 | I | 59 | Low | 56.1 | Low | 29 Ų | 29 | 64.4 Ų | 64.4 | 15% | 0.149 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.3 | -44.9 | 179.3 | -62.8 | 176.4 | 0 | 0 | 0 | 111 | N401 P402 I408 R409 | N401-I405 PolarHBondContact O-N 2.86Å; P402-I405 PolarHBondContact O-N 2.93Å; I405-I408 PolarHBondContact O-N 3.31Å; I405-R409 WeakPolarHBondContact O-CB 3.44Å; I405-R409 PolarHBondContact O-N 2.9Å |
| 406 | N | 63.6 | Low | 55.9 | Low | 90 Ų | 90 | 61.1 Ų | 61.1 | 48% | 0.481 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -68 | -37.3 | 177.5 | -75.8 | -28 | 0 | 0 | 0 | 112.7 | P402 I404 R409 S410 | P402-N406 WeakPolarHBondContact O-CB 3.49Å; P402-N406 PolarHBondContact O-N 2.88Å; P402-N406 PolarHBondContact O-ND2 3.09Å; I404-N406 PolarHBondContact O-N 3.18Å; N406-R409 PolarHBondContact O-N 3.37Å; N406-S410 VanDerWaalsContact O-CB 3.3Å; N406-S410 WeakPolarHBondContact O-CB 3.41Å; N406-S410 PolarHBondContact O-N 3.37Å |
| 407 | S | 59.1 | Low | 56 | Low | 14 Ų | 14 | 63 Ų | 63 | 10% | 0.098 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.5 | -44.6 | 173.2 | -67.9 | 0 | 0 | 0 | 0 | 111.9 | H208 N403 I404 S410 F411 | H208-S407 PolarHBondContact ND1-OG 2.99Å; N403-S407 WeakPolarHBondContact O-CB 3.37Å; N403-S407 PolarHBondContact O-N 3.47Å; N403-S407 PolarHBondContact O-OG 3.47Å; I404-S407 PolarHBondContact O-N 2.78Å; S407-S410 PolarHBondContact O-N 3.24Å; S407-F411 VanDerWaalsContact O-CB 3.24Å; S407-F411 WeakPolarHBondContact O-CB 3.49Å; S407-F411 PolarHBondContact O-N 3.48Å |
| 408 | I | 57 | Low | 56.1 | Low | 6 Ų | 6 | 60.6 Ų | 60.6 | 3% | 0.031 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.5 | -47.4 | 173.5 | -75.2 | 171.2 | 0 | 0 | 0 | 110.5 | A204 I207 M363 L399 I404 I405 S410 F411 I412 | A204-I408 HydrophobicContact CB-CD1 3.89Å; I207-I408 HydrophobicContact CB-CG1 4.35Å; I207-I408 HydrophobicContact CG2-CG1 3.84Å; M363-I408 HydrophobicContact CE-CG2 3.97Å; L399-I408 HydrophobicContact CD1-CD1 4.36Å; I404-I408 HydrophobicContact CG2-CD1 3.76Å; I404-I408 HydrophobicContact CG2-CG1 4.46Å; I404-I408 WeakPolarHBondContact O-CB 3.5Å; I404-I408 WeakPolarHBondContact O-CG1 3.45Å; I404-I408 PolarHBondContact O-N 3.28Å; I405-I408 PolarHBondContact O-N 3.31Å; I408-S410 VanDerWaalsContact C-N 3.34Å; I408-S410 PolarHBondContact O-N 2.75Å; I408-F411 PolarHBondContact O-N 3.19Å; I408-I412 HydrophobicContact CG2-CD1 3.52Å; I408-I412 HydrophobicContact CG2-CG1 4.49Å; I408-I412 WeakPolarHBondContact O-CB 3.32Å; I408-I412 WeakPolarHBondContact O-CD1 3.37Å; I408-I412 VanDerWaalsContact O-CG1 3.23Å; I408-I412 WeakPolarHBondContact O-CG1 3.39Å; I408-I412 PolarHBondContact O-N 3.2Å |
| 409 | R | 56.2 | Low | 56.1 | Low | 108 Ų | 108 | 59.4 Ų | 59.4 | 41% | 0.408 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.6 | -43.3 | 177.4 | -158.4 | -174.9 | -139.5 | 137.9 | -1 | 111.5 | H389 I405 N406 T413 | H389-R409 PolarHBondContact NE2-NH2 3.11Å; I405-R409 WeakPolarHBondContact O-CB 3.44Å; I405-R409 PolarHBondContact O-N 2.9Å; N406-R409 PolarHBondContact O-N 3.37Å; R409-T413 WeakPolarHBondContact O-CB 3.42Å; R409-T413 VanDerWaalsContact O-CG2 3.3Å; R409-T413 WeakPolarHBondContact O-CG2 3.46Å; R409-T413 PolarHBondContact O-N 3.49Å; R409-T413 VanDerWaalsContact O-N 3.1Å; R409-T413 PolarHBondContact O-OG1 3.45Å |
| 410 | S | 62.4 | Low | 56.4 | Low | 29 Ų | 29 | 58.9 Ų | 58.9 | 20% | 0.203 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66 | -44.2 | 176.3 | -170.1 | 0 | 0 | 0 | 0 | 112.1 | H215 N406 S407 I408 I412 T413 S414 | H215-S410 PolarHBondContact CE1-OG 3.38Å; H215-S410 PolarHBondContact NE2-OG 3.26Å; N406-S410 VanDerWaalsContact O-CB 3.3Å; N406-S410 WeakPolarHBondContact O-CB 3.41Å; N406-S410 PolarHBondContact O-N 3.37Å; S407-S410 PolarHBondContact O-N 3.24Å; I408-S410 VanDerWaalsContact C-N 3.34Å; I408-S410 PolarHBondContact O-N 2.75Å; S410-I412 VanDerWaalsContact C-N 3.34Å; S410-I412 PolarHBondContact O-N 3.41Å; S410-T413 PolarHBondContact O-N 3.39Å; S410-S414 WeakPolarHBondContact O-CB 3.46Å; S410-S414 PolarHBondContact O-N 2.92Å; S410-S414 PolarHBondContact O-OG 2.98Å |
| 411 | F | 57.4 | Low | 56.8 | Low | 10 Ų | 10 | 54.1 Ų | 54.1 | 4% | 0.044 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.9 | -32.6 | 178.6 | -167.2 | -101.6 | 0 | 0 | 0 | 112.9 | I207 I210 L214 I356 V359 M360 M363 S407 I408 | I207-F411 HydrophobicContact CG2-CB 4.1Å; I207-F411 HydrophobicContact CG2-CD1 3.95Å; I207-F411 HydrophobicContact CG2-CG 4Å; I210-F411 HydrophobicContact CG2-CE2 3.75Å; I210-F411 HydrophobicContact CG2-CZ 4.33Å; L214-F411 HydrophobicContact CD1-CD2 4.26Å; L214-F411 HydrophobicContact CD1-CE2 3.89Å; I356-F411 HydrophobicContact CG2-CE2 4.48Å; I356-F411 HydrophobicContact CG2-CZ 4.13Å; V359-F411 HydrophobicContact CG1-CE1 4.08Å; M360-F411 HydrophobicContact CG-CD1 4.31Å; M360-F411 HydrophobicContact CG-CE1 3.68Å; M360-F411 HydrophobicContact CG-CZ 4Å; M363-F411 HydrophobicContact SD-CD1 4.15Å; M363-F411 HydrophobicContact SD-CE1 4.28Å; S407-F411 VanDerWaalsContact O-CB 3.24Å; S407-F411 WeakPolarHBondContact O-CB 3.49Å; S407-F411 PolarHBondContact O-N 3.48Å; I408-F411 PolarHBondContact O-N 3.19Å |
| 412 | I | 53.8 | Low | 57.2 | Low | 46 Ų | 46 | 51.3 Ų | 51.3 | 24% | 0.236 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -75.6 | -36.7 | 174.9 | -67.6 | 159.4 | 0 | 0 | 0 | 112.4 | M363 L367 I408 S410 | M363-I412 HydrophobicContact CE-CD1 4.1Å; M363-I412 HydrophobicContact CE-CG1 4.16Å; L367-I412 HydrophobicContact CD1-CD1 3.98Å; L367-I412 HydrophobicContact CD1-CG1 4.37Å; L367-I412 HydrophobicContact CD1-CG2 4.04Å; I408-I412 HydrophobicContact CG2-CD1 3.52Å; I408-I412 HydrophobicContact CG2-CG1 4.49Å; I408-I412 WeakPolarHBondContact O-CB 3.32Å; I408-I412 WeakPolarHBondContact O-CD1 3.37Å; I408-I412 VanDerWaalsContact O-CG1 3.23Å; I408-I412 WeakPolarHBondContact O-CG1 3.39Å; I408-I412 PolarHBondContact O-N 3.2Å; S410-I412 VanDerWaalsContact C-N 3.34Å; S410-I412 PolarHBondContact O-N 3.41Å |
| 413 | T | 55.2 | Low | 57.9 | Low | 109 Ų | 109 | 47.2 Ų | 47.2 | 67% | 0.669 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -97.4 | -24.5 | -170.3 | 56.4 | 0 | 0 | 0 | 0 | 115 | R409 S410 | R409-T413 WeakPolarHBondContact O-CB 3.42Å; R409-T413 VanDerWaalsContact O-CG2 3.3Å; R409-T413 WeakPolarHBondContact O-CG2 3.46Å; R409-T413 PolarHBondContact O-N 3.49Å; R409-T413 VanDerWaalsContact O-N 3.1Å; R409-T413 PolarHBondContact O-OG1 3.45Å; S410-T413 PolarHBondContact O-N 3.39Å |
| 414 | S | 52.6 | Low | 58.3 | Low | 54 Ų | 54 | 48.9 Ų | 48.9 | 38% | 0.378 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -69.2 | 152.1 | 179.1 | 57.7 | 0 | 0 | 0 | 0 | 112.5 | S410 | S410-S414 WeakPolarHBondContact O-CB 3.46Å; S410-S414 PolarHBondContact O-N 2.92Å; S410-S414 PolarHBondContact O-OG 2.98Å |
| 415 | K | 46.6 | Very low | 59.1 | Low | 137 Ų | 137 | 53.5 Ų | 53.5 | 60% | 0.596 | 28% | 0.277 | S | S | * | . | trans | -69.4 | 133.2 | 166.6 | -74.3 | -178 | 173.9 | -173.9 | 0 | 108.2 | T417 L471 | K415-T417 PolarHBondContact O-N 3.38Å; K415-L471 HydrophobicContact CD-CD1 3.64Å; K415-L471 HydrophobicContact CG-CD1 4.3Å | ||
| 416 | P | 47.5 | Very low | 60.3 | Low | 48 Ų | 48 | 52.6 Ų | 52.6 | 31% | 0.312 | 27% | 0.272 | S | S | . | . | trans | -66.6 | 103 | 177.8 | 27.1 | -34.2 | 0 | 0 | 0 | 110.4 | M360 L418 | M360-P416 HydrophobicContact CE-CB 3.67Å; M360-P416 HydrophobicContact CE-CG 4.46Å; M360-P416 HydrophobicContact SD-CB 4.17Å; P416-L418 VanDerWaalsContact C-N 3.28Å; P416-L418 PolarHBondContact O-N 3.46Å | ||
| 417 | T | 52 | Low | 61.3 | Low | 74 Ų | 74 | 49.8 Ų | 49.8 | 45% | 0.454 | 26% | 0.259 | S | S | . | . | trans | -86.5 | 14.9 | -174.4 | 39.8 | 0 | 0 | 0 | 0 | 114.8 | H218 K415 I419 | H218-T417 PolarHBondContact NE2-OG1 2.83Å; K415-T417 PolarHBondContact O-N 3.38Å; T417-I419 PolarHBondContact O-N 2.92Å | ||
| 418 | L | 52.4 | Low | 62.6 | Low | 29 Ų | 29 | 57.6 Ų | 57.6 | 15% | 0.152 | 29% | 0.291 | C | S | . | . | trans | -76.1 | 73.6 | 171.5 | -74.5 | 169 | 0 | 0 | 0 | 111.2 | L214 V353 I356 P416 | L214-L418 HydrophobicContact CD2-CD1 4.24Å; L214-L418 HydrophobicContact CD2-CD2 4Å; L214-L418 HydrophobicContact CD2-CG 3.92Å; V353-L418 HydrophobicContact CG1-CB 4.35Å; V353-L418 HydrophobicContact CG1-CD1 4.38Å; I356-L418 HydrophobicContact CB-CD1 4.41Å; I356-L418 HydrophobicContact CD1-CD1 3.67Å; I356-L418 HydrophobicContact CG2-CD1 4.07Å; P416-L418 VanDerWaalsContact C-N 3.28Å; P416-L418 PolarHBondContact O-N 3.46Å | ||
| 419 | I | 54.1 | Low | 64.2 | Low | 34 Ų | 34 | 57.5 Ų | 57.5 | 17% | 0.174 | 29% | 0.29 | C | S | . | . | trans | -83 | 123.8 | 159.4 | -63.3 | 165.7 | 0 | 0 | 0 | 106.8 | T417 I421 V423 K424 C469 W475 | T417-I419 PolarHBondContact O-N 2.92Å; I419-I421 WeakPolarHBondContact O-CA 3.24Å; I419-I421 PolarHBondContact O-N 2.81Å; I419-V423 HydrophobicContact CG2-CB 4.39Å; I419-K424 HydrophobicContact CD1-CD 4.16Å; I419-C469 HydrophobicContact CD1-CB 4.17Å; I419-C469 HydrophobicContact CG1-CB 3.54Å; I419-C469 WeakPolarHBondContact CG1-SG 3.26Å; I419-W475 HydrophobicContact CD1-CH2 4.21Å; I419-W475 HydrophobicContact CG2-CH2 4.49Å | ||
| 420 | A | 57.6 | Low | 65.8 | Low | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.008 | 27% | 0.271 | C | S | . | . | trans | -52.7 | 109.2 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | S274 L276 G422 V423 D465 | S274-A420 CarbonylContact O-C 3.6Å; S274-A420 WeakPolarHBondContact O-CB 3.35Å; S274-A420 VanDerWaalsContact O-O 3.07Å; L276-A420 HydrophobicContact CD2-CB 4.08Å; L276-A420 HydrophobicContact CG-CB 4.07Å; A420-G422 PolarHBondContact O-N 3.33Å; A420-V423 HydrophobicContact CB-CG2 4.02Å; A420-V423 VanDerWaalsContact O-CB 3.3Å; A420-V423 WeakPolarHBondContact O-CB 3.4Å; A420-V423 VanDerWaalsContact O-CG2 3.29Å; A420-V423 WeakPolarHBondContact O-CG2 3.38Å; A420-V423 PolarHBondContact O-N 2.96Å; A420-D465 WeakPolarHBondContact CB-OD2 3.42Å | ||
| 421 | I | 61 | Low | 67.2 | Low | 65 Ų | 65 | 55.6 Ų | 55.6 | 33% | 0.333 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -32.5 | -150.1 | -54.1 | 173.8 | 0 | 0 | 0 | 112.6 | M224 S274 I419 V423 | M224-I421 HydrophobicContact CB-CB 4.17Å; M224-I421 HydrophobicContact CB-CG2 3.83Å; M224-I421 HydrophobicContact CG-CB 4.45Å; S274-I421 PolarHBondContact O-N 3.26Å; I419-I421 WeakPolarHBondContact O-CA 3.24Å; I419-I421 PolarHBondContact O-N 2.81Å; I421-V423 VanDerWaalsContact C-N 3.27Å; I421-V423 PolarHBondContact O-N 3.38Å |
| 422 | G | 70.3 | Confident | 68.8 | Low | 2 Ų | 2 | 56.2 Ų | 56.2 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.7 | -21.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | L273 S274 A420 K424 H425 N426 | L273-G422 CarbonylContact O-C 3.07Å; L273-G422 VanDerWaalsContact O-C 3.28Å; L273-G422 WeakPolarHBondContact O-CA 3.31Å; S274-G422 WeakPolarHBondContact O-CA 3.32Å; S274-G422 PolarHBondContact O-N 3.33Å; A420-G422 PolarHBondContact O-N 3.33Å; G422-K424 PolarHBondContact O-N 3.27Å; G422-H425 PolarHBondContact O-N 3.08Å; G422-N426 VanDerWaalsContact O-CB 3.32Å; G422-N426 WeakPolarHBondContact O-CB 3.46Å; G422-N426 PolarHBondContact O-N 2.65Å; G422-N426 PolarHBondContact O-ND2 3.04Å |
| 423 | V | 75.8 | Confident | 70.7 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58 | -53.1 | -176.2 | 175.5 | 0 | 0 | 0 | 0 | 111.6 | I419 A420 I421 H425 N426 V427 L430 L462 I466 W475 | I419-V423 HydrophobicContact CG2-CB 4.39Å; A420-V423 HydrophobicContact CB-CG2 4.02Å; A420-V423 VanDerWaalsContact O-CB 3.3Å; A420-V423 WeakPolarHBondContact O-CB 3.4Å; A420-V423 VanDerWaalsContact O-CG2 3.29Å; A420-V423 WeakPolarHBondContact O-CG2 3.38Å; A420-V423 PolarHBondContact O-N 2.96Å; I421-V423 VanDerWaalsContact C-N 3.27Å; I421-V423 PolarHBondContact O-N 3.38Å; V423-H425 PolarHBondContact O-N 2.71Å; V423-H425 VanDerWaalsContact O-N 3.16Å; V423-N426 PolarHBondContact O-N 3.33Å; V423-N426 VanDerWaalsContact O-N 3.1Å; V423-V427 WeakPolarHBondContact O-CG2 3.29Å; V423-V427 PolarHBondContact O-N 3.23Å; V423-L430 HydrophobicContact CB-CD1 4.3Å; V423-L430 HydrophobicContact CG1-CD1 4.41Å; V423-L430 HydrophobicContact CG2-CD1 4.06Å; V423-L462 HydrophobicContact CG2-CD1 3.68Å; V423-I466 HydrophobicContact CG1-CD1 4.1Å; V423-I466 HydrophobicContact CG1-CG1 4.05Å; V423-W475 HydrophobicContact CG1-CE3 4.49Å |
| 424 | K | 72.2 | Confident | 72.5 | Confident | 127 Ų | 127 | 48.9 Ų | 48.9 | 55% | 0.552 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -51.6 | -41.1 | -179.4 | -100.5 | 179.3 | 171.9 | 174 | 0 | 112.9 | I419 G422 W475 | I419-K424 HydrophobicContact CD1-CD 4.16Å; G422-K424 PolarHBondContact O-N 3.27Å; K424-W475 HydrophobicContact CG-CH2 3.77Å; K424-W475 HydrophobicContact CG-CZ2 3.65Å |
| 425 | H | 75.9 | Confident | 74.4 | Confident | 111 Ų | 111 | 49.3 Ų | 49.3 | 51% | 0.514 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -86.3 | -22.9 | -176.2 | -58.4 | -79.3 | 0 | 0 | 0 | 113.3 | G422 V423 | G422-H425 PolarHBondContact O-N 3.08Å; V423-H425 PolarHBondContact O-N 2.71Å; V423-H425 VanDerWaalsContact O-N 3.16Å |
| 426 | N | 83.6 | Confident | 76.6 | Confident | 9 Ų | 9 | 42.8 Ų | 42.8 | 5% | 0.048 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -113.7 | 3.6 | -172.6 | -64.8 | -45.9 | 0 | 0 | 0 | 115.1 | V227 L273 G422 V423 K428 L429 L430 | V227-N426 WeakPolarHBondContact CG2-OD1 3.43Å; L273-N426 PolarHBondContact O-ND2 2.84Å; G422-N426 VanDerWaalsContact O-CB 3.32Å; G422-N426 WeakPolarHBondContact O-CB 3.46Å; G422-N426 PolarHBondContact O-N 2.65Å; G422-N426 PolarHBondContact O-ND2 3.04Å; V423-N426 PolarHBondContact O-N 3.33Å; V423-N426 VanDerWaalsContact O-N 3.1Å; N426-K428 VanDerWaalsContact C-N 3.27Å; N426-K428 PolarHBondContact O-N 2.57Å; N426-L429 WeakPolarHBondContact O-CA 3.45Å; N426-L429 PolarHBondContact O-N 3.3Å; N426-L430 HydrophobicContact CB-CD1 4.1Å; N426-L430 HydrophobicContact CB-CG 4.17Å; N426-L430 PolarHBondContact O-N 3.33Å |
| 427 | V | 85.6 | Confident | 78.9 | Confident | 32 Ų | 32 | 40.5 Ų | 40.5 | 19% | 0.194 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -38 | -49.9 | -176.5 | -172.4 | 0 | 0 | 0 | 0 | 114.1 | V423 L429 L430 R431 L478 | V423-V427 WeakPolarHBondContact O-CG2 3.29Å; V423-V427 PolarHBondContact O-N 3.23Å; V427-L429 PolarHBondContact O-N 3.12Å; V427-L430 PolarHBondContact O-N 3.44Å; V427-R431 WeakPolarHBondContact O-CB 3.47Å; V427-R431 PolarHBondContact O-N 3.03Å; V427-L478 HydrophobicContact CG1-CD2 4.25Å |
| 428 | K | 86.3 | Confident | 80.8 | Confident | 178 Ų | 178 | 38 Ų | 38 | 77% | 0.774 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -65 | -37.9 | -178.7 | -67.6 | 179.2 | -178.7 | 173.6 | 0 | 113.1 | N426 L432 | N426-K428 VanDerWaalsContact C-N 3.27Å; N426-K428 PolarHBondContact O-N 2.57Å; K428-L432 PolarHBondContact O-N 3.36Å |
| 429 | L | 89.7 | Confident | 82.7 | Confident | 4 Ų | 4 | 37.3 Ų | 37.3 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -77.1 | -41.2 | 177.3 | -178.9 | 62.2 | 0 | 0 | 0 | 111.1 | R232 L235 L239 L273 N426 V427 R431 L432 L433 | R232-L429 HydrophobicContact CG-CD2 4.44Å; L235-L429 HydrophobicContact CB-CD1 4.18Å; L235-L429 HydrophobicContact CD1-CD2 4.24Å; L239-L429 HydrophobicContact CD1-CD1 4.08Å; L273-L429 HydrophobicContact CD1-CD2 3.66Å; L273-L429 HydrophobicContact CD1-CG 3.98Å; L273-L429 HydrophobicContact CD2-CD2 4.01Å; N426-L429 WeakPolarHBondContact O-CA 3.45Å; N426-L429 PolarHBondContact O-N 3.3Å; V427-L429 PolarHBondContact O-N 3.12Å; L429-R431 PolarHBondContact O-N 2.79Å; L429-L432 PolarHBondContact O-N 3.42Å; L429-L433 VanDerWaalsContact O-CB 3.28Å; L429-L433 WeakPolarHBondContact O-CB 3.24Å; L429-L433 PolarHBondContact O-N 2.68Å |
| 430 | L | 90 | Very high | 84.5 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59 | -44.2 | 172.8 | -76.5 | 168.1 | 0 | 0 | 0 | 111.3 | L273 V423 N426 V427 L432 L433 V434 L478 | L273-L430 HydrophobicContact CB-CD2 3.78Å; L273-L430 HydrophobicContact CB-CG 4.29Å; V423-L430 HydrophobicContact CB-CD1 4.3Å; V423-L430 HydrophobicContact CG1-CD1 4.41Å; V423-L430 HydrophobicContact CG2-CD1 4.06Å; N426-L430 HydrophobicContact CB-CD1 4.1Å; N426-L430 HydrophobicContact CB-CG 4.17Å; N426-L430 PolarHBondContact O-N 3.33Å; V427-L430 PolarHBondContact O-N 3.44Å; L430-L432 PolarHBondContact O-N 2.91Å; L430-L433 PolarHBondContact O-N 3.06Å; L430-V434 WeakPolarHBondContact O-CB 3.25Å; L430-V434 VanDerWaalsContact O-CG2 3.3Å; L430-V434 WeakPolarHBondContact O-CG2 3.01Å; L430-V434 PolarHBondContact O-N 2.87Å; L430-L478 HydrophobicContact CB-CD1 4.44Å; L430-L478 HydrophobicContact CB-CD2 4.28Å |
| 431 | R | 91.4 | Very high | 86.1 | Confident | 96 Ų | 96 | 35.9 Ų | 35.9 | 36% | 0.362 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -61.9 | -40.9 | 175.6 | -168.5 | 176.3 | 66 | 174.1 | 0.4 | 112.2 | V427 L429 N435 D477 L478 | V427-R431 WeakPolarHBondContact O-CB 3.47Å; V427-R431 PolarHBondContact O-N 3.03Å; L429-R431 PolarHBondContact O-N 2.79Å; R431-N435 WeakPolarHBondContact O-CB 3.46Å; R431-N435 PolarHBondContact O-N 2.82Å; R431-N435 PolarHBondContact O-ND2 2.85Å; R431-D477 IonicContact CZ-OD2 2.98Å; R431-D477 IonicContact NH1-OD2 2.7Å; R431-D477 PolarHBondContact NH1-OD2 3.09Å; R431-L478 HydrophobicContact CB-CD1 4.29Å |
| 432 | L | 91.6 | Very high | 87.4 | Confident | 23 Ų | 23 | 38.4 Ų | 38.4 | 12% | 0.12 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.1 | -41.9 | 173.6 | 178.2 | 62.6 | 0 | 0 | 0 | 111.9 | N236 L239 K428 L429 L430 N435 T436 | N236-L432 HydrophobicContact CB-CD2 4.3Å; N236-L432 VanDerWaalsContact OD1-CD2 3.25Å; N236-L432 WeakPolarHBondContact OD1-CD2 3.46Å; L239-L432 HydrophobicContact CB-CD2 3.92Å; L239-L432 HydrophobicContact CB-CG 4.04Å; L239-L432 HydrophobicContact CD1-CD2 4.12Å; L239-L432 HydrophobicContact CD1-CG 4.18Å; K428-L432 PolarHBondContact O-N 3.36Å; L429-L432 PolarHBondContact O-N 3.42Å; L430-L432 PolarHBondContact O-N 2.91Å; L432-N435 PolarHBondContact O-N 2.97Å; L432-T436 WeakPolarHBondContact O-CB 3.08Å; L432-T436 PolarHBondContact O-N 3.43Å; L432-T436 PolarHBondContact O-OG1 2.78Å |
| 433 | L | 93.1 | Very high | 88.2 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.3 | -48.1 | -178.7 | -174.5 | 71 | 0 | 0 | 0 | 112 | L239 L266 L269 I270 L273 L429 L430 N435 T436 L437 | L239-L433 HydrophobicContact CD1-CB 4.36Å; L239-L433 HydrophobicContact CD1-CD1 3.93Å; L239-L433 HydrophobicContact CD2-CD1 3.78Å; L266-L433 HydrophobicContact CD2-CD1 3.47Å; L266-L433 VanDerWaalsContact CD2-CD1 3.47Å; L269-L433 HydrophobicContact CB-CD1 3.9Å; L269-L433 HydrophobicContact CB-CD2 3.6Å; L269-L433 HydrophobicContact CB-CG 4.4Å; L269-L433 HydrophobicContact CD1-CD1 3.89Å; I270-L433 HydrophobicContact CB-CD2 4.3Å; I270-L433 HydrophobicContact CG1-CD2 3.47Å; I270-L433 VanDerWaalsContact CG1-CD2 3.47Å; I270-L433 HydrophobicContact CG1-CG 3.93Å; L273-L433 HydrophobicContact CD1-CD2 3.99Å; L429-L433 VanDerWaalsContact O-CB 3.28Å; L429-L433 WeakPolarHBondContact O-CB 3.24Å; L429-L433 PolarHBondContact O-N 2.68Å; L430-L433 PolarHBondContact O-N 3.06Å; L433-N435 VanDerWaalsContact C-N 3.32Å; L433-N435 PolarHBondContact O-N 2.84Å; L433-T436 WeakPolarHBondContact O-CB 3.36Å; L433-T436 PolarHBondContact O-N 3.09Å; L433-T436 VanDerWaalsContact O-N 3.15Å; L433-L437 PolarHBondContact O-N 3.46Å |
| 434 | V | 93.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.8 | -37.8 | 174.2 | 178.7 | 0 | 0 | 0 | 0 | 110.4 | I270 L430 L437 N438 L478 L482 C485 | I270-V434 HydrophobicContact CD1-CG2 4.23Å; L430-V434 WeakPolarHBondContact O-CB 3.25Å; L430-V434 VanDerWaalsContact O-CG2 3.3Å; L430-V434 WeakPolarHBondContact O-CG2 3.01Å; L430-V434 PolarHBondContact O-N 2.87Å; V434-L437 PolarHBondContact O-N 2.86Å; V434-N438 VanDerWaalsContact O-CB 3.24Å; V434-N438 WeakPolarHBondContact O-CB 3.17Å; V434-N438 PolarHBondContact O-N 2.78Å; V434-L478 HydrophobicContact CG2-CD1 4.27Å; V434-L482 HydrophobicContact CG1-CD2 4Å; V434-L482 HydrophobicContact CG1-CG 4.4Å; V434-L482 HydrophobicContact CG2-CD2 3.9Å; V434-C485 PolarHBondContact O-SG 3.47Å |
| 435 | N | 92.6 | Very high | 89.5 | Confident | 63 Ų | 63 | 38 Ų | 38 | 34% | 0.337 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -68 | -32.1 | 173 | -75.1 | -13.1 | 0 | 0 | 0 | 113.4 | R431 L432 L433 N438 C439 S481 | R431-N435 WeakPolarHBondContact O-CB 3.46Å; R431-N435 PolarHBondContact O-N 2.82Å; R431-N435 PolarHBondContact O-ND2 2.85Å; L432-N435 PolarHBondContact O-N 2.97Å; L433-N435 VanDerWaalsContact C-N 3.32Å; L433-N435 PolarHBondContact O-N 2.84Å; N435-N438 WeakPolarHBondContact O-CB 3.29Å; N435-N438 PolarHBondContact O-N 2.98Å; N435-C439 WeakPolarHBondContact O-CB 3.41Å; N435-C439 PolarHBondContact O-N 3.26Å; N435-S481 WeakPolarHBondContact OD1-CB 3.28Å; N435-S481 PolarHBondContact OD1-OG 3.37Å |
| 436 | T | 93.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -67.3 | -44.2 | 173.3 | -53.8 | 0 | 0 | 0 | 0 | 110.3 | L239 I242 C243 L266 L432 L433 C439 L440 | L239-T436 HydrophobicContact CD2-CG2 3.94Å; I242-T436 HydrophobicContact CB-CG2 4.2Å; I242-T436 HydrophobicContact CG2-CG2 3.62Å; C243-T436 PolarHBondContact SG-OG1 3.41Å; C243-T436 VanDerWaalsContact SG-OG1 3.4Å; L266-T436 HydrophobicContact CD1-CG2 4.24Å; L266-T436 HydrophobicContact CD2-CG2 4.18Å; L432-T436 WeakPolarHBondContact O-CB 3.08Å; L432-T436 PolarHBondContact O-N 3.43Å; L432-T436 PolarHBondContact O-OG1 2.78Å; L433-T436 WeakPolarHBondContact O-CB 3.36Å; L433-T436 PolarHBondContact O-N 3.09Å; L433-T436 VanDerWaalsContact O-N 3.15Å; T436-C439 WeakPolarHBondContact O-CB 3.48Å; T436-C439 PolarHBondContact O-N 3.02Å; T436-L440 WeakPolarHBondContact O-CG 3.44Å; T436-L440 PolarHBondContact O-N 3.5Å; T436-L440 VanDerWaalsContact O-N 3.1Å |
| 437 | L | 93.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.4 | -50.8 | 172.4 | -174 | 65.4 | 0 | 0 | 0 | 110.8 | M263 L266 I270 L433 V434 C439 L440 I441 L459 | M263-L437 HydrophobicContact SD-CD1 3.82Å; L266-L437 HydrophobicContact CD1-CD1 4.34Å; I270-L437 HydrophobicContact CD1-CD2 3.86Å; L433-L437 PolarHBondContact O-N 3.46Å; V434-L437 PolarHBondContact O-N 2.86Å; L437-C439 PolarHBondContact O-N 3.5Å; L437-L440 PolarHBondContact O-N 3.17Å; L437-I441 HydrophobicContact CD1-CG2 3.81Å; L437-I441 HydrophobicContact CG-CD1 4.42Å; L437-I441 HydrophobicContact CG-CG2 4.12Å; L437-I441 WeakPolarHBondContact O-CG1 3.38Å; L437-I441 WeakPolarHBondContact O-CG2 3.33Å; L437-I441 PolarHBondContact O-N 3.01Å; L437-L459 HydrophobicContact CD2-CD1 4.13Å; L437-L459 HydrophobicContact CD2-CD2 4.46Å |
| 438 | N | 93.2 | Very high | 90.9 | Very high | 23 Ų | 23 | 31.9 Ų | 31.9 | 12% | 0.123 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -52.7 | -39.2 | 175.7 | -168.2 | -0.5 | 0 | 0 | 0 | 112.6 | V434 N435 K442 R488 | V434-N438 VanDerWaalsContact O-CB 3.24Å; V434-N438 WeakPolarHBondContact O-CB 3.17Å; V434-N438 PolarHBondContact O-N 2.78Å; N435-N438 WeakPolarHBondContact O-CB 3.29Å; N435-N438 PolarHBondContact O-N 2.98Å; N438-K442 PolarHBondContact O-N 3.31Å; N438-R488 WeakPolarHBondContact OD1-CD 3.43Å; N438-R488 PolarHBondContact OD1-NE 3.45Å |
| 439 | C | 91 | Very high | 91.2 | Very high | 14 Ų | 14 | 24.3 Ų | 24.3 | 10% | 0.095 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -66.8 | -43.8 | 175.8 | -171.3 | 0 | 0 | 0 | 0 | 112.2 | N435 T436 L437 K442 | N435-C439 WeakPolarHBondContact O-CB 3.41Å; N435-C439 PolarHBondContact O-N 3.26Å; T436-C439 WeakPolarHBondContact O-CB 3.48Å; T436-C439 PolarHBondContact O-N 3.02Å; L437-C439 PolarHBondContact O-N 3.5Å; C439-K442 VanDerWaalsContact O-CB 3.25Å; C439-K442 WeakPolarHBondContact O-CB 3.4Å |
| 440 | L | 92.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -78.9 | -37.5 | -177.7 | -62.7 | 178.9 | 0 | 0 | 0 | 113.7 | I242 A246 S254 L257 V262 M263 L266 T436 L437 K442 Y443 N446 | I242-L440 HydrophobicContact CG2-CD1 3.81Å; I242-L440 HydrophobicContact CG2-CD2 4.21Å; I242-L440 HydrophobicContact CG2-CG 4.3Å; A246-L440 HydrophobicContact CB-CD2 3.61Å; S254-L440 WeakPolarHBondContact OG-CA 3.5Å; S254-L440 VanDerWaalsContact OG-CD2 3.24Å; S254-L440 WeakPolarHBondContact OG-CD2 3.47Å; S254-L440 PolarHBondContact OG-O 2.77Å; L257-L440 HydrophobicContact CD1-CD2 3.97Å; V262-L440 HydrophobicContact CG1-CD1 3.93Å; M263-L440 HydrophobicContact CE-CB 3.33Å; M263-L440 HydrophobicContact CE-CD1 3.85Å; M263-L440 HydrophobicContact CE-CG 4.25Å; L266-L440 HydrophobicContact CD1-CD1 3.68Å; T436-L440 WeakPolarHBondContact O-CG 3.44Å; T436-L440 PolarHBondContact O-N 3.5Å; T436-L440 VanDerWaalsContact O-N 3.1Å; L437-L440 PolarHBondContact O-N 3.17Å; L440-K442 PolarHBondContact O-N 3.2Å; L440-Y443 PolarHBondContact O-N 3.27Å; L440-N446 WeakPolarHBondContact O-CB 3.29Å; L440-N446 PolarHBondContact O-ND2 3.3Å; L440-N446 VanDerWaalsContact O-ND2 3.08Å |
| 441 | I | 92.5 | Very high | 91.2 | Very high | 5 Ų | 5 | 24.4 Ų | 24.4 | 3% | 0.026 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | 1.6 | 176.5 | 73.4 | -175.6 | 0 | 0 | 0 | 113 | M263 L437 Y443 A447 A450 C485 R488 L489 | M263-I441 HydrophobicContact CE-CG2 4.18Å; M263-I441 HydrophobicContact SD-CG2 4.07Å; L437-I441 HydrophobicContact CD1-CG2 3.81Å; L437-I441 HydrophobicContact CG-CD1 4.42Å; L437-I441 HydrophobicContact CG-CG2 4.12Å; L437-I441 WeakPolarHBondContact O-CG1 3.38Å; L437-I441 WeakPolarHBondContact O-CG2 3.33Å; L437-I441 PolarHBondContact O-N 3.01Å; I441-Y443 PolarHBondContact O-N 3.32Å; I441-A447 HydrophobicContact CB-CB 4.08Å; I441-A450 HydrophobicContact CG2-CB 4.01Å; I441-C485 HydrophobicContact CD1-CB 4.07Å; I441-R488 HydrophobicContact CD1-CB 3.93Å; I441-R488 HydrophobicContact CG1-CB 3.98Å; I441-L489 HydrophobicContact CB-CD2 4.32Å; I441-L489 HydrophobicContact CD1-CD2 3.85Å; I441-L489 HydrophobicContact CD1-CG 4.1Å; I441-L489 HydrophobicContact CG2-CD2 4.25Å |
| 442 | K | 87.2 | Confident | 91.1 | Very high | 118 Ų | 118 | 22.1 Ų | 22.1 | 51% | 0.513 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -19.3 | 166 | -172.3 | -179.6 | 174 | -173.1 | 0 | 112.3 | N438 C439 L440 | N438-K442 PolarHBondContact O-N 3.31Å; C439-K442 VanDerWaalsContact O-CB 3.25Å; C439-K442 WeakPolarHBondContact O-CB 3.4Å; L440-K442 PolarHBondContact O-N 3.2Å |
| 443 | Y | 86.9 | Confident | 90.9 | Very high | 44 Ų | 44 | 22.5 Ų | 22.5 | 17% | 0.173 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -110.6 | 131.7 | -178.7 | -54.8 | -80.8 | 0 | 0 | 0 | 111 | A246 K251 S254 L440 I441 N445 N446 A447 | A246-Y443 PolarHBondContact O-OH 2.9Å; K251-Y443 HydrophobicContact CB-CD1 4.04Å; K251-Y443 HydrophobicContact CB-CE1 3.58Å; K251-Y443 HydrophobicContact CD-CD1 4.35Å; K251-Y443 HydrophobicContact CD-CE1 4.42Å; K251-Y443 HydrophobicContact CG-CD1 3.68Å; K251-Y443 HydrophobicContact CG-CE1 3.76Å; S254-Y443 VanDerWaalsContact CB-CD2 3.4Å; S254-Y443 VanDerWaalsContact CB-CE2 3.46Å; S254-Y443 WeakPolarHBondContact OG-CD2 3.42Å; L440-Y443 PolarHBondContact O-N 3.27Å; I441-Y443 PolarHBondContact O-N 3.32Å; Y443-N445 PolarHBondContact O-N 3.28Å; Y443-N446 WeakPolarHBondContact O-CB 3.45Å; Y443-N446 PolarHBondContact O-N 2.98Å; Y443-A447 PolarHBondContact O-N 2.98Å |
| 444 | K | 86.8 | Confident | 90.5 | Very high | 73 Ų | 73 | 25.9 Ų | 25.9 | 32% | 0.317 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -43.1 | -60.7 | -168.2 | -168.1 | -174.8 | 179 | -169.6 | 0 | 113.1 | N446 A447 V448 I492 L1498 | K444-N446 PolarHBondContact O-N 3.37Å; K444-A447 PolarHBondContact O-N 2.82Å; K444-V448 HydrophobicContact CG-CG2 4.44Å; K444-V448 VanDerWaalsContact O-CG2 3.26Å; K444-V448 WeakPolarHBondContact O-CG2 3.26Å; K444-V448 PolarHBondContact O-N 3.4Å; K444-I492 HydrophobicContact CG-CG2 3.99Å; K444-L1498 PolarHBondContact NZ-O 2.84Å |
| 445 | N | 89.6 | Confident | 90.4 | Very high | 5 Ų | 5 | 26 Ų | 26 | 3% | 0.027 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.7 | -17.8 | -174.4 | -53.6 | 68.7 | 0 | 0 | 0 | 113.9 | Y443 R449 D979 N981 R1500 | Y443-N445 PolarHBondContact O-N 3.28Å; N445-R449 WeakPolarHBondContact O-CB 3.46Å; N445-R449 WeakPolarHBondContact O-CD 3.38Å; N445-R449 WeakPolarHBondContact O-CG 3.41Å; N445-R449 PolarHBondContact O-N 3.41Å; N445-D979 PolarHBondContact ND2-O 3.3Å; N445-N981 HydrophobicContact CB-CB 4.47Å; N445-N981 PolarHBondContact OD1-OD1 3.28Å; N445-R1500 PolarHBondContact OD1-NH1 3.19Å; N445-R1500 PolarHBondContact OD1-NH2 3.36Å |
| 446 | N | 92.3 | Very high | 90.3 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -86.3 | -36.3 | 174.5 | -80.2 | -0.5 | 0 | 0 | 0 | 112.8 | S254 G258 M263 L440 Y443 K444 V448 R449 A450 | S254-N446 VanDerWaalsContact C-ND2 3.29Å; S254-N446 PolarHBondContact O-ND2 3.4Å; S254-N446 PolarHBondContact OG-ND2 3.24Å; G258-N446 WeakPolarHBondContact CA-OD1 3.48Å; M263-N446 HydrophobicContact CE-CB 3.66Å; L440-N446 WeakPolarHBondContact O-CB 3.29Å; L440-N446 PolarHBondContact O-ND2 3.3Å; L440-N446 VanDerWaalsContact O-ND2 3.08Å; Y443-N446 WeakPolarHBondContact O-CB 3.45Å; Y443-N446 PolarHBondContact O-N 2.98Å; K444-N446 PolarHBondContact O-N 3.37Å; N446-V448 VanDerWaalsContact C-N 3.28Å; N446-R449 PolarHBondContact O-N 3.02Å; N446-R449 PolarHBondContact OD1-NH1 3.26Å; N446-R449 VanDerWaalsContact OD1-NH1 3.12Å; N446-A450 PolarHBondContact O-N 3.25Å |
| 447 | A | 91.5 | Very high | 89.9 | Confident | 2 Ų | 2 | 23.7 Ų | 23.7 | 2% | 0.017 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.8 | -42 | 167 | 0 | 0 | 0 | 0 | 0 | 110.5 | I441 Y443 K444 A450 N451 L489 I492 | I441-A447 HydrophobicContact CB-CB 4.08Å; Y443-A447 PolarHBondContact O-N 2.98Å; K444-A447 PolarHBondContact O-N 2.82Å; A447-A450 WeakPolarHBondContact O-CB 3.43Å; A447-A450 PolarHBondContact O-N 3.34Å; A447-N451 PolarHBondContact O-N 2.83Å; A447-N451 PolarHBondContact O-OD1 3Å; A447-L489 HydrophobicContact CB-CD2 3.95Å; A447-I492 HydrophobicContact CB-CD1 3.71Å; A447-I492 HydrophobicContact CB-CG1 4.37Å |
| 448 | V | 89.7 | Confident | 89.7 | Confident | 20 Ų | 20 | 23.8 Ų | 23.8 | 12% | 0.121 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -55.9 | -56.6 | 172.2 | 173.5 | 0 | 0 | 0 | 0 | 109.5 | K444 N446 A450 N451 N452 I492 F978 | K444-V448 HydrophobicContact CG-CG2 4.44Å; K444-V448 VanDerWaalsContact O-CG2 3.26Å; K444-V448 WeakPolarHBondContact O-CG2 3.26Å; K444-V448 PolarHBondContact O-N 3.4Å; N446-V448 VanDerWaalsContact C-N 3.28Å; V448-A450 VanDerWaalsContact C-N 3.27Å; V448-A450 PolarHBondContact O-N 2.68Å; V448-A450 VanDerWaalsContact O-N 3.17Å; V448-N451 WeakPolarHBondContact O-CB 3.42Å; V448-N451 PolarHBondContact O-N 3.01Å; V448-N452 PolarHBondContact O-N 3.15Å; V448-I492 HydrophobicContact CB-CD1 4.16Å; V448-I492 HydrophobicContact CG2-CD1 3.46Å; V448-I492 VanDerWaalsContact CG2-CD1 3.46Å; V448-I492 VanDerWaalsContact N-CD1 3.33Å; V448-F978 HydrophobicContact CB-CE1 4.28Å; V448-F978 HydrophobicContact CB-CZ 4.18Å; V448-F978 HydrophobicContact CG1-CD1 3.67Å; V448-F978 HydrophobicContact CG1-CD2 3.75Å; V448-F978 HydrophobicContact CG1-CE1 3.36Å; V448-F978 HydrophobicContact CG1-CE2 3.43Å; V448-F978 VanDerWaalsContact CG1-CE2 3.43Å; V448-F978 HydrophobicContact CG1-CG 3.84Å; V448-F978 HydrophobicContact CG1-CZ 3.18Å; V448-F978 WeakPolarHBondContact O-CE1 3.43Å; V448-F978 WeakPolarHBondContact O-CZ 3.25Å |
| 449 | R | 92.4 | Very high | 89.6 | Confident | 18 Ų | 18 | 22.7 Ų | 22.7 | 7% | 0.068 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -56.7 | -29.1 | 174.7 | -75.3 | 169 | -171 | 148.9 | -8 | 116 | Y255 M263 N445 N446 N453 F978 | Y255-R449 VanDerWaalsContact CD2-NH1 3.32Å; Y255-R449 PolarHBondContact O-NH1 3.29Å; M263-R449 HydrophobicContact CB-CB 4.22Å; M263-R449 HydrophobicContact CG-CB 3.81Å; N445-R449 WeakPolarHBondContact O-CB 3.46Å; N445-R449 WeakPolarHBondContact O-CD 3.38Å; N445-R449 WeakPolarHBondContact O-CG 3.41Å; N445-R449 PolarHBondContact O-N 3.41Å; N446-R449 PolarHBondContact O-N 3.02Å; N446-R449 PolarHBondContact OD1-NH1 3.26Å; N446-R449 VanDerWaalsContact OD1-NH1 3.12Å; R449-N453 PolarHBondContact O-ND2 3.41Å; R449-F978 HydrophobicContact CG-CD1 4.45Å |
| 450 | A | 91.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -70.9 | -35.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | M263 I267 I441 N446 A447 V448 N453 H454 A455 L489 | M263-A450 HydrophobicContact SD-CB 4.12Å; I267-A450 HydrophobicContact CD1-CB 4.31Å; I441-A450 HydrophobicContact CG2-CB 4.01Å; N446-A450 PolarHBondContact O-N 3.25Å; A447-A450 WeakPolarHBondContact O-CB 3.43Å; A447-A450 PolarHBondContact O-N 3.34Å; V448-A450 VanDerWaalsContact C-N 3.27Å; V448-A450 PolarHBondContact O-N 2.68Å; V448-A450 VanDerWaalsContact O-N 3.17Å; A450-N453 CarbonylContact O-C 3.54Å; A450-N453 PolarHBondContact O-N 3.05Å; A450-H454 PolarHBondContact O-N 3.12Å; A450-A455 HydrophobicContact CB-CB 3.88Å; A450-A455 WeakPolarHBondContact O-CB 3.18Å; A450-A455 PolarHBondContact O-N 2.83Å; A450-L489 HydrophobicContact CB-CD2 3.8Å |
| 451 | N | 89.5 | Confident | 89.1 | Confident | 6 Ų | 6 | 22.1 Ų | 22.1 | 3% | 0.032 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65.2 | -49.2 | 178.6 | -63.2 | -15 | 0 | 0 | 0 | 112.3 | A447 V448 N453 H454 V456 I492 S494 G495 | A447-N451 PolarHBondContact O-N 2.83Å; A447-N451 PolarHBondContact O-OD1 3Å; V448-N451 WeakPolarHBondContact O-CB 3.42Å; V448-N451 PolarHBondContact O-N 3.01Å; N451-N453 PolarHBondContact O-N 2.69Å; N451-H454 WeakPolarHBondContact O-CA 3.38Å; N451-H454 PolarHBondContact O-N 3.49Å; N451-V456 WeakPolarHBondContact OD1-CG2 3.29Å; N451-I492 VanDerWaalsContact ND2-CD1 3.32Å; N451-I492 WeakPolarHBondContact ND2-CD1 3.48Å; N451-S494 PolarHBondContact ND2-OG 2.93Å; N451-G495 WeakPolarHBondContact ND2-CA 3.41Å; N451-G495 PolarHBondContact ND2-N 3.13Å |
| 452 | N | 87.8 | Confident | 88.8 | Confident | 49 Ų | 49 | 21.9 Ų | 21.9 | 26% | 0.262 | 10% | 0.103 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -6.6 | 174.9 | -83.8 | 31.8 | 0 | 0 | 0 | 114.4 | V448 E976 F978 | V448-N452 PolarHBondContact O-N 3.15Å; N452-E976 PolarHBondContact ND2-O 2.8Å; N452-E976 WeakPolarHBondContact OD1-CB 3.32Å; N452-E976 PolarHBondContact OD1-OE1 2.83Å; N452-E976 PolarHBondContact OD1-OE2 3.05Å; N452-F978 HydrophobicContact CB-CD1 4.34Å; N452-F978 HydrophobicContact CB-CE1 3.52Å; N452-F978 HydrophobicContact CB-CZ 3.74Å; N452-F978 WeakPolarHBondContact OD1-CE1 3.33Å; N452-F978 WeakPolarHBondContact OD1-CE2 3.21Å; N452-F978 WeakPolarHBondContact OD1-CZ 3.48Å |
| 453 | N | 86.9 | Confident | 88.9 | Confident | 31 Ų | 31 | 16.3 Ų | 16.3 | 17% | 0.166 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | 21.2 | 169.6 | -73 | -95.1 | 0 | 0 | 0 | 111 | K264 I267 L288 R449 A450 N451 A455 | K264-N453 VanDerWaalsContact CB-OD1 3.24Å; K264-N453 WeakPolarHBondContact CB-OD1 3.45Å; K264-N453 VanDerWaalsContact CG-OD1 3.3Å; K264-N453 WeakPolarHBondContact CG-OD1 3.39Å; I267-N453 HydrophobicContact CD1-CB 3.44Å; I267-N453 VanDerWaalsContact CD1-CB 3.44Å; I267-N453 WeakPolarHBondContact CG2-O 3.14Å; L288-N453 HydrophobicContact CD2-CB 4.45Å; R449-N453 PolarHBondContact O-ND2 3.41Å; A450-N453 CarbonylContact O-C 3.54Å; A450-N453 PolarHBondContact O-N 3.05Å; N451-N453 PolarHBondContact O-N 2.69Å; N453-A455 VanDerWaalsContact C-N 3.29Å; N453-A455 PolarHBondContact O-N 3.46Å |
| 454 | H | 86.3 | Confident | 88.6 | Confident | 72 Ų | 72 | 14.5 Ų | 14.5 | 33% | 0.333 | 7% | 0.072 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | 31.5 | 174.8 | -48.9 | -86.7 | 0 | 0 | 0 | 114.6 | T284 A450 N451 V456 P457 | T284-H454 WeakPolarHBondContact CG2-CD2 3.37Å; T284-H454 WeakPolarHBondContact CG2-NE2 3.4Å; A450-H454 PolarHBondContact O-N 3.12Å; N451-H454 WeakPolarHBondContact O-CA 3.38Å; N451-H454 PolarHBondContact O-N 3.49Å; H454-V456 VanDerWaalsContact C-N 3.31Å; H454-V456 PolarHBondContact O-N 2.95Å; H454-P457 HydrophobicContact CB-CG 4.3Å; H454-P457 WeakPolarHBondContact O-CD 3.49Å; H454-P457 WeakPolarHBondContact O-CG 3.35Å |
| 455 | A | 90.2 | Very high | 88.2 | Confident | 1 Ų | 1 | 11.3 Ų | 11.3 | 1% | 0.008 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -61.4 | -35.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | I267 A450 N453 L458 L459 L489 | I267-A455 HydrophobicContact CD1-CB 3.78Å; I267-A455 HydrophobicContact CG1-CB 4.1Å; A450-A455 HydrophobicContact CB-CB 3.88Å; A450-A455 WeakPolarHBondContact O-CB 3.18Å; A450-A455 PolarHBondContact O-N 2.83Å; N453-A455 VanDerWaalsContact C-N 3.29Å; N453-A455 PolarHBondContact O-N 3.46Å; A455-L458 PolarHBondContact O-N 3.21Å; A455-L459 HydrophobicContact CB-CD1 4.17Å; A455-L459 VanDerWaalsContact O-CB 3.22Å; A455-L459 WeakPolarHBondContact O-CB 3.16Å; A455-L459 WeakPolarHBondContact O-CD1 3.32Å; A455-L459 WeakPolarHBondContact O-CG 3.23Å; A455-L459 PolarHBondContact O-N 3.3Å; A455-L489 HydrophobicContact CB-CD1 3.89Å |
| 456 | V | 90.4 | Very high | 87.8 | Confident | 1 Ų | 1 | 11.1 Ų | 11.1 | 1% | 0.006 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -62.1 | -55.7 | -174.8 | 178.8 | 0 | 0 | 0 | 0 | 112.7 | N451 H454 L458 L459 L460 L486 L489 A498 L499 | N451-V456 WeakPolarHBondContact OD1-CG2 3.29Å; H454-V456 VanDerWaalsContact C-N 3.31Å; H454-V456 PolarHBondContact O-N 2.95Å; V456-L458 PolarHBondContact O-N 3.48Å; V456-L459 PolarHBondContact O-N 2.95Å; V456-L460 WeakPolarHBondContact O-CB 3.28Å; V456-L460 PolarHBondContact O-N 3.11Å; V456-L486 HydrophobicContact CG1-CD2 4.39Å; V456-L489 HydrophobicContact CG2-CB 3.99Å; V456-L489 HydrophobicContact CG2-CD1 3.74Å; V456-L489 HydrophobicContact CG2-CG 4.49Å; V456-A498 HydrophobicContact CB-CB 4.11Å; V456-A498 HydrophobicContact CG1-CB 4.42Å; V456-A498 HydrophobicContact CG2-CB 4.06Å; V456-L499 HydrophobicContact CG1-CB 3.88Å; V456-L499 HydrophobicContact CG1-CD1 3.73Å; V456-L499 HydrophobicContact CG1-CG 4.43Å |
| 457 | P | 86.6 | Confident | 87.2 | Confident | 14 Ų | 14 | 12.3 Ų | 12.3 | 9% | 0.091 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -63.9 | -39.5 | 177 | 22.9 | -32.8 | 0 | 0 | 0 | 112.6 | W280 H454 L459 L460 D461 S502 | W280-P457 HydrophobicContact CH2-CB 3.75Å; W280-P457 HydrophobicContact CH2-CG 3.8Å; W280-P457 HydrophobicContact CZ2-CB 4.04Å; H454-P457 HydrophobicContact CB-CG 4.3Å; H454-P457 WeakPolarHBondContact O-CD 3.49Å; H454-P457 WeakPolarHBondContact O-CG 3.35Å; P457-L459 PolarHBondContact O-N 3.08Å; P457-L460 PolarHBondContact O-N 2.77Å; P457-D461 PolarHBondContact O-N 3.04Å; P457-S502 WeakPolarHBondContact CB-OG 3.38Å |
| 458 | L | 88.7 | Confident | 86.2 | Confident | 2 Ų | 2 | 16 Ų | 16 | 1% | 0.01 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -61.8 | -41.5 | 178.3 | -177.3 | 71.1 | 0 | 0 | 0 | 112.5 | I267 I270 A271 L276 M285 A455 V456 L462 | I267-L458 HydrophobicContact CG2-CD2 3.66Å; I270-L458 HydrophobicContact CB-CD2 4.04Å; I270-L458 HydrophobicContact CG2-CD2 3.85Å; I270-L458 HydrophobicContact CG2-CG 4.2Å; A271-L458 HydrophobicContact CB-CD1 4.02Å; A271-L458 HydrophobicContact CB-CD2 4.09Å; L276-L458 HydrophobicContact CB-CD1 4.01Å; L276-L458 HydrophobicContact CD1-CD1 3.83Å; M285-L458 HydrophobicContact CE-CD1 4.31Å; A455-L458 PolarHBondContact O-N 3.21Å; V456-L458 PolarHBondContact O-N 3.48Å; L458-L462 VanDerWaalsContact O-CB 3.28Å; L458-L462 WeakPolarHBondContact O-CB 3.3Å; L458-L462 PolarHBondContact O-N 2.66Å |
| 459 | L | 91.6 | Very high | 85.2 | Confident | 1 Ų | 1 | 16.3 Ų | 16.3 | 1% | 0.005 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -73.5 | -28.8 | 177.5 | -70.6 | 168.1 | 0 | 0 | 0 | 112.4 | I270 L437 A455 V456 P457 F463 L482 C485 L486 L489 | I270-L459 HydrophobicContact CD1-CD2 4.11Å; L437-L459 HydrophobicContact CD2-CD1 4.13Å; L437-L459 HydrophobicContact CD2-CD2 4.46Å; A455-L459 HydrophobicContact CB-CD1 4.17Å; A455-L459 VanDerWaalsContact O-CB 3.22Å; A455-L459 WeakPolarHBondContact O-CB 3.16Å; A455-L459 WeakPolarHBondContact O-CD1 3.32Å; A455-L459 WeakPolarHBondContact O-CG 3.23Å; A455-L459 PolarHBondContact O-N 3.3Å; V456-L459 PolarHBondContact O-N 2.95Å; P457-L459 PolarHBondContact O-N 3.08Å; L459-F463 VanDerWaalsContact O-CB 3.26Å; L459-F463 WeakPolarHBondContact O-CB 3.35Å; L459-F463 PolarHBondContact O-N 2.91Å; L459-L482 HydrophobicContact CD2-CD2 3.51Å; L459-C485 HydrophobicContact CD1-CB 3.97Å; L459-L486 HydrophobicContact CB-CD2 3.89Å; L459-L486 HydrophobicContact CB-CG 4.28Å; L459-L489 HydrophobicContact CD1-CD1 3.68Å |
| 460 | L | 89 | Confident | 84.3 | Confident | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -72.2 | -45.8 | 175.2 | -176.3 | 65.7 | 0 | 0 | 0 | 111.4 | V456 P457 F463 L464 L486 L499 T507 L508 | V456-L460 WeakPolarHBondContact O-CB 3.28Å; V456-L460 PolarHBondContact O-N 3.11Å; P457-L460 PolarHBondContact O-N 2.77Å; L460-F463 PolarHBondContact O-N 3.5Å; L460-L464 PolarHBondContact O-N 3.46Å; L460-L486 HydrophobicContact CD1-CD1 4.44Å; L460-L499 HydrophobicContact CD1-CD1 4.39Å; L460-L499 HydrophobicContact CD2-CD1 4.13Å; L460-T507 HydrophobicContact CD1-CG2 3.84Å; L460-T507 HydrophobicContact CD2-CG2 4.16Å; L460-T507 HydrophobicContact CG-CG2 4.07Å; L460-L508 HydrophobicContact CD1-CD2 4.38Å |
| 461 | D | 82.6 | Confident | 83 | Confident | 2 Ų | 2 | 19.4 Ų | 19.4 | 1% | 0.011 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -62.1 | -48.2 | 174.8 | -75.2 | 23.3 | 0 | 0 | 0 | 110.2 | L276 S351 R354 P457 F463 L464 D465 | L276-D461 HydrophobicContact CD1-CB 4.39Å; L276-D461 HydrophobicContact CD2-CB 4.42Å; S351-D461 WeakPolarHBondContact CB-OD2 3.41Å; S351-D461 PolarHBondContact OG-OD2 2.9Å; R354-D461 IonicContact CZ-OD1 3.44Å; R354-D461 IonicContact NE-OD1 3.32Å; R354-D461 PolarHBondContact NE-OD1 3.35Å; R354-D461 IonicContact NE-OD2 2.68Å; R354-D461 IonicContact NH2-OD1 2.65Å; R354-D461 PolarHBondContact NH2-OD1 2.84Å; P457-D461 PolarHBondContact O-N 3.04Å; D461-F463 PolarHBondContact O-N 3.5Å; D461-L464 WeakPolarHBondContact O-CB 3.48Å; D461-L464 PolarHBondContact O-N 3.05Å; D461-L464 VanDerWaalsContact O-N 3.07Å; D461-D465 PolarHBondContact O-N 3.46Å |
| 462 | L | 87.8 | Confident | 82 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.5 | -33.1 | 176.1 | -173.7 | 54.8 | 0 | 0 | 0 | 112.8 | I270 L276 V423 L458 I466 L482 | I270-L462 HydrophobicContact CG2-CD2 3.6Å; L276-L462 HydrophobicContact CD1-CB 3.72Å; L276-L462 HydrophobicContact CD1-CD1 4.18Å; L276-L462 HydrophobicContact CD1-CG 4.44Å; V423-L462 HydrophobicContact CG2-CD1 3.68Å; L458-L462 VanDerWaalsContact O-CB 3.28Å; L458-L462 WeakPolarHBondContact O-CB 3.3Å; L458-L462 PolarHBondContact O-N 2.66Å; L462-I466 HydrophobicContact CD1-CD1 3.84Å; L462-I466 HydrophobicContact CD1-CG1 4.34Å; L462-I466 HydrophobicContact CG-CD1 4.04Å; L462-I466 WeakPolarHBondContact O-CB 3.03Å; L462-I466 WeakPolarHBondContact O-CD1 3.48Å; L462-I466 WeakPolarHBondContact O-CG1 3.44Å; L462-I466 PolarHBondContact O-N 2.87Å; L462-L482 HydrophobicContact CD2-CD1 4.48Å; L462-L482 HydrophobicContact CD2-CD2 3.96Å; L462-L482 HydrophobicContact CG-CD1 4.02Å; L462-L482 HydrophobicContact CG-CD2 4.24Å |
| 463 | F | 88.8 | Confident | 81.3 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -70.8 | -41.8 | 173.7 | 175.3 | -116.8 | 0 | 0 | 0 | 111.9 | L459 L460 D461 H467 Q479 L482 L483 L508 I511 I682 | L459-F463 VanDerWaalsContact O-CB 3.26Å; L459-F463 WeakPolarHBondContact O-CB 3.35Å; L459-F463 PolarHBondContact O-N 2.91Å; L460-F463 PolarHBondContact O-N 3.5Å; D461-F463 PolarHBondContact O-N 3.5Å; F463-H467 AromaticContact CZ-ND1 3.97Å; F463-H467 WeakPolarHBondContact O-CB 3.08Å; F463-H467 PolarHBondContact O-N 2.88Å; F463-Q479 HydrophobicContact CD2-CB 4.38Å; F463-Q479 HydrophobicContact CE2-CB 4.07Å; F463-Q479 HydrophobicContact CE2-CG 4.36Å; F463-L482 HydrophobicContact CB-CB 4.34Å; F463-L482 HydrophobicContact CB-CD1 4.3Å; F463-L482 HydrophobicContact CD2-CB 4.47Å; F463-L483 HydrophobicContact CD1-CD2 4.38Å; F463-L483 HydrophobicContact CD2-CG 4.21Å; F463-L483 HydrophobicContact CE1-CD2 3.89Å; F463-L483 HydrophobicContact CE1-CG 4.34Å; F463-L483 HydrophobicContact CE2-CD1 3.76Å; F463-L483 HydrophobicContact CE2-CD2 4.19Å; F463-L483 HydrophobicContact CE2-CG 3.73Å; F463-L483 HydrophobicContact CZ-CD1 3.73Å; F463-L483 HydrophobicContact CZ-CD2 3.8Å; F463-L483 HydrophobicContact CZ-CG 3.8Å; F463-L508 HydrophobicContact CE1-CD2 4.37Å; F463-I511 HydrophobicContact CD1-CD1 4.2Å; F463-I511 HydrophobicContact CE1-CD1 3.62Å; F463-I511 HydrophobicContact CZ-CD1 4.44Å; F463-I682 HydrophobicContact CZ-CG2 4.31Å |
| 464 | L | 81 | Confident | 80.7 | Confident | 6 Ų | 6 | 31.3 Ų | 31.3 | 3% | 0.031 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.2 | -52.1 | 176.2 | -83.6 | 170 | 0 | 0 | 0 | 112.9 | R354 L460 D461 I466 H467 R468 T507 I511 | R354-L464 HydrophobicContact CG-CD1 4.41Å; L460-L464 PolarHBondContact O-N 3.46Å; D461-L464 WeakPolarHBondContact O-CB 3.48Å; D461-L464 PolarHBondContact O-N 3.05Å; D461-L464 VanDerWaalsContact O-N 3.07Å; L464-I466 VanDerWaalsContact C-N 3.29Å; L464-I466 PolarHBondContact O-N 2.96Å; L464-H467 PolarHBondContact O-N 2.83Å; L464-R468 WeakPolarHBondContact O-CB 3.31Å; L464-R468 WeakPolarHBondContact O-CG 3.39Å; L464-R468 PolarHBondContact O-N 3.2Å; L464-T507 HydrophobicContact CD1-CG2 3.6Å; L464-T507 HydrophobicContact CD2-CG2 3.71Å; L464-T507 HydrophobicContact CG-CG2 3.77Å; L464-I511 HydrophobicContact CD2-CD1 4.03Å; L464-I511 HydrophobicContact CD2-CG1 4.37Å |
| 465 | D | 77.1 | Confident | 80.6 | Confident | 6 Ų | 6 | 29.8 Ų | 29.8 | 3% | 0.032 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -57.3 | -45.9 | -178.5 | -72 | 17.4 | 0 | 0 | 0 | 110.7 | L276 V353 A420 D461 C469 | L276-D465 WeakPolarHBondContact CD2-OD2 3.38Å; V353-D465 WeakPolarHBondContact CG1-OD1 3.33Å; A420-D465 WeakPolarHBondContact CB-OD2 3.42Å; D461-D465 PolarHBondContact O-N 3.46Å; D465-C469 WeakPolarHBondContact O-CB 3.49Å; D465-C469 PolarHBondContact O-N 3.35Å; D465-C469 PolarHBondContact O-SG 3.36Å |
| 466 | I | 81.8 | Confident | 80.3 | Confident | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.1 | -51.6 | 176.2 | -70.4 | 172.9 | 0 | 0 | 0 | 110.1 | V423 L462 L464 R468 C469 D470 W475 L478 Q479 L482 | V423-I466 HydrophobicContact CG1-CD1 4.1Å; V423-I466 HydrophobicContact CG1-CG1 4.05Å; L462-I466 HydrophobicContact CD1-CD1 3.84Å; L462-I466 HydrophobicContact CD1-CG1 4.34Å; L462-I466 HydrophobicContact CG-CD1 4.04Å; L462-I466 WeakPolarHBondContact O-CB 3.03Å; L462-I466 WeakPolarHBondContact O-CD1 3.48Å; L462-I466 WeakPolarHBondContact O-CG1 3.44Å; L462-I466 PolarHBondContact O-N 2.87Å; L464-I466 VanDerWaalsContact C-N 3.29Å; L464-I466 PolarHBondContact O-N 2.96Å; I466-R468 VanDerWaalsContact C-N 3.26Å; I466-R468 PolarHBondContact O-N 3.37Å; I466-C469 PolarHBondContact O-N 2.73Å; I466-C469 VanDerWaalsContact O-N 3.13Å; I466-D470 HydrophobicContact CG2-CB 4.39Å; I466-D470 WeakPolarHBondContact O-CB 3.5Å; I466-D470 PolarHBondContact O-N 3.43Å; I466-W475 HydrophobicContact CG1-CE3 4.48Å; I466-W475 HydrophobicContact CG2-CB 4.07Å; I466-W475 HydrophobicContact CG2-CE3 4.17Å; I466-L478 HydrophobicContact CD1-CD2 3.55Å; I466-L478 HydrophobicContact CD1-CG 3.83Å; I466-Q479 HydrophobicContact CG2-CG 3.45Å; I466-Q479 VanDerWaalsContact CG2-CG 3.45Å; I466-L482 HydrophobicContact CD1-CD1 3.77Å |
| 467 | H | 81 | Confident | 80.1 | Confident | 26 Ų | 26 | 32.9 Ų | 32.9 | 12% | 0.12 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.3 | -34.2 | -175.9 | -163.3 | 81.6 | 0 | 0 | 0 | 113.1 | F463 L464 Q479 Y515 | F463-H467 AromaticContact CZ-ND1 3.97Å; F463-H467 WeakPolarHBondContact O-CB 3.08Å; F463-H467 PolarHBondContact O-N 2.88Å; L464-H467 PolarHBondContact O-N 2.83Å; H467-Q479 PolarHBondContact ND1-OE1 3.28Å; H467-Y515 PolarHBondContact CE1-OH 2.8Å; H467-Y515 AromaticContact NE2-CE2 3.55Å; H467-Y515 AromaticContact NE2-CZ 3.84Å; H467-Y515 PolarHBondContact NE2-OH 3.23Å |
| 468 | R | 70.4 | Confident | 80.2 | Confident | 79 Ų | 79 | 32.3 Ų | 32.3 | 30% | 0.298 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -78 | -28.3 | 178.3 | -74 | 179.8 | 157.1 | -130.1 | -2.8 | 113.8 | V357 L464 I466 | V357-R468 VanDerWaalsContact CG2-CZ 3.47Å; V357-R468 PolarHBondContact O-NH2 3.21Å; L464-R468 WeakPolarHBondContact O-CB 3.31Å; L464-R468 WeakPolarHBondContact O-CG 3.39Å; L464-R468 PolarHBondContact O-N 3.2Å; I466-R468 VanDerWaalsContact C-N 3.26Å; I466-R468 PolarHBondContact O-N 3.37Å |
| 469 | C | 67.7 | Low | 80.2 | Confident | 26 Ų | 26 | 32.2 Ų | 32.2 | 18% | 0.176 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -98.7 | -22.6 | -176.2 | -60.9 | 0 | 0 | 0 | 0 | 113.8 | I419 D465 I466 L471 W475 | I419-C469 HydrophobicContact CD1-CB 4.17Å; I419-C469 HydrophobicContact CG1-CB 3.54Å; I419-C469 WeakPolarHBondContact CG1-SG 3.26Å; D465-C469 WeakPolarHBondContact O-CB 3.49Å; D465-C469 PolarHBondContact O-N 3.35Å; D465-C469 PolarHBondContact O-SG 3.36Å; I466-C469 PolarHBondContact O-N 2.73Å; I466-C469 VanDerWaalsContact O-N 3.13Å; C469-L471 PolarHBondContact O-N 3.49Å; C469-W475 HydrophobicContact CB-CZ3 4.25Å |
| 470 | D | 73.7 | Confident | 80.1 | Confident | 4 Ų | 4 | 34.4 Ų | 34.4 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | trans | -79.2 | 50.3 | -177.4 | -167.8 | 21.1 | 0 | 0 | 0 | 112.7 | I466 H472 W473 D474 W475 I476 Q479 | I466-D470 HydrophobicContact CG2-CB 4.39Å; I466-D470 WeakPolarHBondContact O-CB 3.5Å; I466-D470 PolarHBondContact O-N 3.43Å; D470-H472 PolarHBondContact O-N 2.85Å; D470-W473 PolarHBondContact O-N 2.7Å; D470-W473 VanDerWaalsContact OD1-C 3.24Å; D470-W473 VanDerWaalsContact OD1-CA 3.28Å; D470-W473 WeakPolarHBondContact OD1-CA 3.49Å; D470-W473 PolarHBondContact OD1-N 3.33Å; D470-D474 PolarHBondContact OD1-N 3.47Å; D470-W475 HydrophobicContact CB-CB 4.49Å; D470-W475 HydrophobicContact CB-CE3 4.11Å; D470-W475 VanDerWaalsContact CG-N 3.35Å; D470-W475 PolarHBondContact OD1-N 2.9Å; D470-W475 VanDerWaalsContact OD2-C 3.24Å; D470-W475 VanDerWaalsContact OD2-CA 3.31Å; D470-W475 WeakPolarHBondContact OD2-CA 3.17Å; D470-W475 WeakPolarHBondContact OD2-CB 3.24Å; D470-W475 PolarHBondContact OD2-N 3.49Å; D470-I476 PolarHBondContact OD2-N 2.95Å; D470-Q479 PolarHBondContact OD2-NE2 3.39Å | ||
| 471 | L | 65 | Low | 80.1 | Confident | 80 Ų | 80 | 35 Ų | 35 | 42% | 0.419 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -6.5 | -175.6 | -61.6 | 173.8 | 0 | 0 | 0 | 114.8 | K415 C469 | K415-L471 HydrophobicContact CD-CD1 3.64Å; K415-L471 HydrophobicContact CG-CD1 4.3Å; C469-L471 PolarHBondContact O-N 3.49Å |
| 472 | H | 68.7 | Low | 80.6 | Confident | 136 Ų | 136 | 34.9 Ų | 34.9 | 63% | 0.63 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -119.5 | 0.1 | 178.5 | -63.5 | -75.4 | 0 | 0 | 0 | 113 | D470 D474 | D470-H472 PolarHBondContact O-N 2.85Å; H472-D474 PolarHBondContact O-N 2.72Å |
| 473 | W | 72.9 | Confident | 80.7 | Confident | 72 Ų | 72 | 35 Ų | 35 | 27% | 0.273 | 17% | 0.166 | S | C | . | . | trans | 63.3 | 22 | -179.1 | -41.1 | 107.8 | 0 | 0 | 0 | 115 | D470 W475 I476 Y515 P679 | D470-W473 PolarHBondContact O-N 2.7Å; D470-W473 VanDerWaalsContact OD1-C 3.24Å; D470-W473 VanDerWaalsContact OD1-CA 3.28Å; D470-W473 WeakPolarHBondContact OD1-CA 3.49Å; D470-W473 PolarHBondContact OD1-N 3.33Å; W473-W475 PolarHBondContact O-N 2.81Å; W473-I476 HydrophobicContact CB-CB 4.31Å; W473-I476 HydrophobicContact CB-CD1 4.02Å; W473-I476 HydrophobicContact CD2-CD1 4.34Å; W473-I476 HydrophobicContact CE3-CD1 3.99Å; W473-I476 HydrophobicContact CG-CD1 4.38Å; W473-I476 WeakPolarHBondContact O-CB 3.4Å; W473-I476 WeakPolarHBondContact O-CG2 3.29Å; W473-I476 PolarHBondContact O-N 3.08Å; W473-Y515 VanDerWaalsContact CH2-OH 3.28Å; W473-Y515 WeakPolarHBondContact CH2-OH 3.25Å; W473-P679 HydrophobicContact CD2-CB 4.31Å; W473-P679 HydrophobicContact CD2-CG 3.64Å; W473-P679 VanDerWaalsContact CE2-CG 3.45Å; W473-P679 HydrophobicContact CE3-CB 4.42Å; W473-P679 HydrophobicContact CE3-CG 4.15Å; W473-P679 HydrophobicContact CG-CG 3.96Å; W473-P679 HydrophobicContact CH2-CB 4.01Å; W473-P679 HydrophobicContact CH2-CG 4.34Å; W473-P679 HydrophobicContact CZ2-CB 3.85Å; W473-P679 HydrophobicContact CZ2-CG 3.84Å; W473-P679 HydrophobicContact CZ3-CB 4.28Å; W473-P679 HydrophobicContact CZ3-CG 4.48Å | ||
| 474 | D | 74.3 | Confident | 80.8 | Confident | 128 Ų | 128 | 37.6 Ų | 37.6 | 68% | 0.684 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | -27.3 | 175.7 | -71.5 | -51.8 | 0 | 0 | 0 | 112.8 | D470 H472 | D470-D474 PolarHBondContact OD1-N 3.47Å; H472-D474 PolarHBondContact O-N 2.72Å |
| 475 | W | 83 | Confident | 81.4 | Confident | 39 Ų | 39 | 37.3 Ų | 37.3 | 15% | 0.148 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110 | 16.5 | -176.6 | -51.8 | -25.5 | 0 | 0 | 0 | 113.2 | I419 V423 K424 I466 C469 D470 W473 D477 L478 Q479 | I419-W475 HydrophobicContact CD1-CH2 4.21Å; I419-W475 HydrophobicContact CG2-CH2 4.49Å; V423-W475 HydrophobicContact CG1-CE3 4.49Å; K424-W475 HydrophobicContact CG-CH2 3.77Å; K424-W475 HydrophobicContact CG-CZ2 3.65Å; I466-W475 HydrophobicContact CG1-CE3 4.48Å; I466-W475 HydrophobicContact CG2-CB 4.07Å; I466-W475 HydrophobicContact CG2-CE3 4.17Å; C469-W475 HydrophobicContact CB-CZ3 4.25Å; D470-W475 HydrophobicContact CB-CB 4.49Å; D470-W475 HydrophobicContact CB-CE3 4.11Å; D470-W475 VanDerWaalsContact CG-N 3.35Å; D470-W475 PolarHBondContact OD1-N 2.9Å; D470-W475 VanDerWaalsContact OD2-C 3.24Å; D470-W475 VanDerWaalsContact OD2-CA 3.31Å; D470-W475 WeakPolarHBondContact OD2-CA 3.17Å; D470-W475 WeakPolarHBondContact OD2-CB 3.24Å; D470-W475 PolarHBondContact OD2-N 3.49Å; W473-W475 PolarHBondContact O-N 2.81Å; W475-D477 PolarHBondContact O-N 3.18Å; W475-D477 VanDerWaalsContact O-N 3.13Å; W475-L478 WeakPolarHBondContact O-CA 3.46Å; W475-L478 WeakPolarHBondContact O-CB 3.34Å; W475-L478 PolarHBondContact O-N 3.42Å; W475-Q479 PolarHBondContact O-N 3.05Å |
| 476 | I | 84.9 | Confident | 82.1 | Confident | 17 Ų | 17 | 37 Ų | 37 | 9% | 0.087 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.5 | -27.9 | -175.4 | -160.6 | 143.8 | 0 | 0 | 0 | 114.2 | D470 W473 Q479 R480 D678 P679 I682 | D470-I476 PolarHBondContact OD2-N 2.95Å; W473-I476 HydrophobicContact CB-CB 4.31Å; W473-I476 HydrophobicContact CB-CD1 4.02Å; W473-I476 HydrophobicContact CD2-CD1 4.34Å; W473-I476 HydrophobicContact CE3-CD1 3.99Å; W473-I476 HydrophobicContact CG-CD1 4.38Å; W473-I476 WeakPolarHBondContact O-CB 3.4Å; W473-I476 WeakPolarHBondContact O-CG2 3.29Å; W473-I476 PolarHBondContact O-N 3.08Å; I476-Q479 WeakPolarHBondContact O-CB 3.39Å; I476-Q479 PolarHBondContact O-N 3.08Å; I476-R480 WeakPolarHBondContact O-CB 3.49Å; I476-R480 WeakPolarHBondContact O-CD 3.41Å; I476-R480 VanDerWaalsContact O-CG 3.23Å; I476-R480 WeakPolarHBondContact O-CG 3.39Å; I476-R480 PolarHBondContact O-N 3.45Å; I476-D678 HydrophobicContact CD1-CB 3.69Å; I476-D678 HydrophobicContact CG1-CB 4.31Å; I476-P679 HydrophobicContact CD1-CG 4.29Å; I476-I682 HydrophobicContact CD1-CG1 3.81Å; I476-I682 HydrophobicContact CG1-CD1 4.06Å; I476-I682 HydrophobicContact CG1-CG1 3.74Å |
| 477 | D | 84.9 | Confident | 82.6 | Confident | 51 Ų | 51 | 41 Ų | 41 | 27% | 0.273 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64.6 | -37.7 | 169.6 | -92.7 | 1.8 | 0 | 0 | 0 | 113.2 | R431 W475 R480 S481 | R431-D477 IonicContact CZ-OD2 2.98Å; R431-D477 IonicContact NH1-OD2 2.7Å; R431-D477 PolarHBondContact NH1-OD2 3.09Å; W475-D477 PolarHBondContact O-N 3.18Å; W475-D477 VanDerWaalsContact O-N 3.13Å; D477-R480 WeakPolarHBondContact O-CB 3.43Å; D477-R480 IonicContact OD1-NH1 3.05Å; D477-S481 PolarHBondContact O-N 3.47Å; D477-S481 PolarHBondContact O-OG 3.37Å |
| 478 | L | 88.7 | Confident | 82.9 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -73.8 | -39.8 | 176.5 | -177 | 54.6 | 0 | 0 | 0 | 110.1 | V427 L430 R431 V434 I466 W475 R480 S481 L482 | V427-L478 HydrophobicContact CG1-CD2 4.25Å; L430-L478 HydrophobicContact CB-CD1 4.44Å; L430-L478 HydrophobicContact CB-CD2 4.28Å; R431-L478 HydrophobicContact CB-CD1 4.29Å; V434-L478 HydrophobicContact CG2-CD1 4.27Å; I466-L478 HydrophobicContact CD1-CD2 3.55Å; I466-L478 HydrophobicContact CD1-CG 3.83Å; W475-L478 WeakPolarHBondContact O-CA 3.46Å; W475-L478 WeakPolarHBondContact O-CB 3.34Å; W475-L478 PolarHBondContact O-N 3.42Å; L478-R480 VanDerWaalsContact C-N 3.32Å; L478-R480 PolarHBondContact O-N 2.91Å; L478-S481 PolarHBondContact O-N 3.02Å; L478-S481 VanDerWaalsContact O-N 3.17Å; L478-L482 HydrophobicContact CD1-CD1 4.48Å; L478-L482 HydrophobicContact CD1-CG 4.42Å; L478-L482 HydrophobicContact CG-CD1 4.22Å; L478-L482 VanDerWaalsContact O-CG 3.26Å; L478-L482 WeakPolarHBondContact O-CG 3.34Å; L478-L482 PolarHBondContact O-N 3.4Å |
| 479 | Q | 89.4 | Confident | 84 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -55 | -46.7 | 169.7 | -64.6 | -165.7 | 47.8 | 0 | 0 | 111.8 | F463 I466 H467 D470 W475 I476 L482 L483 I682 | F463-Q479 HydrophobicContact CD2-CB 4.38Å; F463-Q479 HydrophobicContact CE2-CB 4.07Å; F463-Q479 HydrophobicContact CE2-CG 4.36Å; I466-Q479 HydrophobicContact CG2-CG 3.45Å; I466-Q479 VanDerWaalsContact CG2-CG 3.45Å; H467-Q479 PolarHBondContact ND1-OE1 3.28Å; D470-Q479 PolarHBondContact OD2-NE2 3.39Å; W475-Q479 PolarHBondContact O-N 3.05Å; I476-Q479 WeakPolarHBondContact O-CB 3.39Å; I476-Q479 PolarHBondContact O-N 3.08Å; Q479-L482 PolarHBondContact O-N 3.19Å; Q479-L483 WeakPolarHBondContact O-CB 3.39Å; Q479-L483 PolarHBondContact O-N 2.89Å; Q479-I682 HydrophobicContact CB-CD1 3.71Å |
| 480 | R | 88.4 | Confident | 85 | Confident | 47 Ų | 47 | 39.5 Ų | 39.5 | 18% | 0.177 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.4 | -45.9 | 173.1 | -76.5 | 164.1 | 165.2 | 159.9 | -1.8 | 112.8 | I476 D477 L478 L482 N484 D678 I682 | I476-R480 WeakPolarHBondContact O-CB 3.49Å; I476-R480 WeakPolarHBondContact O-CD 3.41Å; I476-R480 VanDerWaalsContact O-CG 3.23Å; I476-R480 WeakPolarHBondContact O-CG 3.39Å; I476-R480 PolarHBondContact O-N 3.45Å; D477-R480 WeakPolarHBondContact O-CB 3.43Å; D477-R480 IonicContact OD1-NH1 3.05Å; L478-R480 VanDerWaalsContact C-N 3.32Å; L478-R480 PolarHBondContact O-N 2.91Å; R480-L482 VanDerWaalsContact C-N 3.31Å; R480-L482 PolarHBondContact O-N 3.37Å; R480-N484 WeakPolarHBondContact O-CB 3Å; R480-N484 PolarHBondContact O-N 3.34Å; R480-N484 PolarHBondContact O-ND2 3.06Å; R480-D678 IonicContact CZ-OD1 2.96Å; R480-D678 IonicContact CZ-OD2 3.74Å; R480-D678 IonicContact NH1-OD2 3.71Å; R480-D678 PolarHBondContact NH1-OD2 2.93Å; R480-D678 IonicContact NH2-OD1 3.23Å; R480-D678 PolarHBondContact NH2-OD1 2.91Å; R480-D678 IonicContact NH2-OD2 2.84Å; R480-D678 PolarHBondContact NH2-OD2 3.39Å; R480-I682 HydrophobicContact CG-CD1 3.93Å |
| 481 | S | 90.5 | Very high | 85.5 | Confident | 12 Ų | 12 | 41 Ų | 41 | 8% | 0.084 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.8 | -39.9 | 177.9 | -73.1 | 0 | 0 | 0 | 0 | 111.6 | N435 D477 L478 C485 | N435-S481 WeakPolarHBondContact OD1-CB 3.28Å; N435-S481 PolarHBondContact OD1-OG 3.37Å; D477-S481 PolarHBondContact O-N 3.47Å; D477-S481 PolarHBondContact O-OG 3.37Å; L478-S481 PolarHBondContact O-N 3.02Å; L478-S481 VanDerWaalsContact O-N 3.17Å; S481-C485 PolarHBondContact O-N 3.37Å |
| 482 | L | 92.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.6 | -48.5 | 176.9 | -67.4 | 166.6 | 0 | 0 | 0 | 112 | V434 L459 L462 F463 I466 L478 Q479 R480 N484 C485 L486 | V434-L482 HydrophobicContact CG1-CD2 4Å; V434-L482 HydrophobicContact CG1-CG 4.4Å; V434-L482 HydrophobicContact CG2-CD2 3.9Å; L459-L482 HydrophobicContact CD2-CD2 3.51Å; L462-L482 HydrophobicContact CD2-CD1 4.48Å; L462-L482 HydrophobicContact CD2-CD2 3.96Å; L462-L482 HydrophobicContact CG-CD1 4.02Å; L462-L482 HydrophobicContact CG-CD2 4.24Å; F463-L482 HydrophobicContact CB-CB 4.34Å; F463-L482 HydrophobicContact CB-CD1 4.3Å; F463-L482 HydrophobicContact CD2-CB 4.47Å; I466-L482 HydrophobicContact CD1-CD1 3.77Å; L478-L482 HydrophobicContact CD1-CD1 4.48Å; L478-L482 HydrophobicContact CD1-CG 4.42Å; L478-L482 HydrophobicContact CG-CD1 4.22Å; L478-L482 VanDerWaalsContact O-CG 3.26Å; L478-L482 WeakPolarHBondContact O-CG 3.34Å; L478-L482 PolarHBondContact O-N 3.4Å; Q479-L482 PolarHBondContact O-N 3.19Å; R480-L482 VanDerWaalsContact C-N 3.31Å; R480-L482 PolarHBondContact O-N 3.37Å; L482-N484 VanDerWaalsContact C-N 3.31Å; L482-N484 PolarHBondContact O-N 3.05Å; L482-C485 WeakPolarHBondContact O-CA 3.5Å; L482-C485 WeakPolarHBondContact O-CB 3.29Å; L482-C485 PolarHBondContact O-N 3.39Å; L482-C485 VanDerWaalsContact O-N 3.07Å; L482-L486 PolarHBondContact O-N 3.3Å |
| 483 | L | 90.9 | Very high | 87.4 | Confident | 3 Ų | 3 | 35.6 Ų | 35.6 | 2% | 0.016 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62 | -35.8 | 175.1 | -78.1 | 172.1 | 0 | 0 | 0 | 112.5 | F463 Q479 L486 K487 I682 Q685 L689 | F463-L483 HydrophobicContact CD1-CD2 4.38Å; F463-L483 HydrophobicContact CD2-CG 4.21Å; F463-L483 HydrophobicContact CE1-CD2 3.89Å; F463-L483 HydrophobicContact CE1-CG 4.34Å; F463-L483 HydrophobicContact CE2-CD1 3.76Å; F463-L483 HydrophobicContact CE2-CD2 4.19Å; F463-L483 HydrophobicContact CE2-CG 3.73Å; F463-L483 HydrophobicContact CZ-CD1 3.73Å; F463-L483 HydrophobicContact CZ-CD2 3.8Å; F463-L483 HydrophobicContact CZ-CG 3.8Å; Q479-L483 WeakPolarHBondContact O-CB 3.39Å; Q479-L483 PolarHBondContact O-N 2.89Å; L483-L486 PolarHBondContact O-N 2.89Å; L483-K487 WeakPolarHBondContact O-CB 3.28Å; L483-K487 PolarHBondContact O-N 3.27Å; L483-I682 HydrophobicContact CD1-CD1 3.85Å; L483-I682 HydrophobicContact CD1-CG2 4.03Å; L483-Q685 HydrophobicContact CD1-CB 3.92Å; L483-L689 HydrophobicContact CD2-CD2 4.09Å |
| 484 | N | 91.1 | Very high | 88.1 | Confident | 55 Ų | 55 | 33 Ų | 33 | 29% | 0.294 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -65.5 | -38.2 | 172.1 | -83.8 | -73.5 | 0 | 0 | 0 | 112.2 | R480 L482 R488 | R480-N484 WeakPolarHBondContact O-CB 3Å; R480-N484 PolarHBondContact O-N 3.34Å; R480-N484 PolarHBondContact O-ND2 3.06Å; L482-N484 VanDerWaalsContact C-N 3.31Å; L482-N484 PolarHBondContact O-N 3.05Å; N484-R488 WeakPolarHBondContact O-CG 3.34Å; N484-R488 PolarHBondContact O-N 3.48Å; N484-R488 VanDerWaalsContact O-N 3.11Å |
| 485 | C | 93.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64 | -51.1 | 172 | -76.5 | 0 | 0 | 0 | 0 | 111.6 | V434 I441 L459 S481 L482 K487 R488 L489 | V434-C485 PolarHBondContact O-SG 3.47Å; I441-C485 HydrophobicContact CD1-CB 4.07Å; L459-C485 HydrophobicContact CD1-CB 3.97Å; S481-C485 PolarHBondContact O-N 3.37Å; L482-C485 WeakPolarHBondContact O-CA 3.5Å; L482-C485 WeakPolarHBondContact O-CB 3.29Å; L482-C485 PolarHBondContact O-N 3.39Å; L482-C485 VanDerWaalsContact O-N 3.07Å; C485-K487 VanDerWaalsContact C-N 3.3Å; C485-K487 PolarHBondContact O-N 3.33Å; C485-R488 WeakPolarHBondContact O-CA 3.15Å; C485-R488 PolarHBondContact O-N 3.13Å; C485-L489 WeakPolarHBondContact O-CG 3.34Å; C485-L489 PolarHBondContact O-N 3.18Å |
| 486 | L | 92.5 | Very high | 89 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58.3 | -40.2 | 177.5 | -69.2 | 171.3 | 0 | 0 | 0 | 111.8 | V456 L459 L460 L482 L483 R488 L489 T490 L689 | V456-L486 HydrophobicContact CG1-CD2 4.39Å; L459-L486 HydrophobicContact CB-CD2 3.89Å; L459-L486 HydrophobicContact CB-CG 4.28Å; L460-L486 HydrophobicContact CD1-CD1 4.44Å; L482-L486 PolarHBondContact O-N 3.3Å; L483-L486 PolarHBondContact O-N 2.89Å; L486-R488 VanDerWaalsContact C-N 3.29Å; L486-R488 PolarHBondContact O-N 3.3Å; L486-L489 PolarHBondContact O-N 2.93Å; L486-T490 WeakPolarHBondContact O-CB 3.4Å; L486-T490 WeakPolarHBondContact O-CG2 3.48Å; L486-T490 PolarHBondContact O-N 3.3Å; L486-T490 PolarHBondContact O-OG1 2.95Å; L486-L689 HydrophobicContact CB-CD1 4.45Å; L486-L689 HydrophobicContact CB-CD2 3.87Å; L486-L689 HydrophobicContact CD1-CD2 4.34Å |
| 487 | K | 90.4 | Very high | 89 | Confident | 86 Ų | 86 | 33.3 Ų | 33.3 | 37% | 0.374 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -64.9 | -25.9 | 174 | -174.9 | 174.2 | 179.6 | 177.2 | 0 | 113.7 | L483 C485 T490 G491 | L483-K487 WeakPolarHBondContact O-CB 3.28Å; L483-K487 PolarHBondContact O-N 3.27Å; C485-K487 VanDerWaalsContact C-N 3.3Å; C485-K487 PolarHBondContact O-N 3.33Å; K487-T490 WeakPolarHBondContact CA-OG1 3.22Å; K487-G491 PolarHBondContact O-N 3.1Å |
| 488 | R | 89.4 | Confident | 89 | Confident | 99 Ų | 99 | 32 Ų | 32 | 37% | 0.374 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -84.4 | -38.4 | 171.8 | -73 | -169.5 | -164.1 | -66.5 | -6.7 | 113 | N438 I441 N484 C485 L486 G491 | N438-R488 WeakPolarHBondContact OD1-CD 3.43Å; N438-R488 PolarHBondContact OD1-NE 3.45Å; I441-R488 HydrophobicContact CD1-CB 3.93Å; I441-R488 HydrophobicContact CG1-CB 3.98Å; N484-R488 WeakPolarHBondContact O-CG 3.34Å; N484-R488 PolarHBondContact O-N 3.48Å; N484-R488 VanDerWaalsContact O-N 3.11Å; C485-R488 WeakPolarHBondContact O-CA 3.15Å; C485-R488 PolarHBondContact O-N 3.13Å; L486-R488 VanDerWaalsContact C-N 3.29Å; L486-R488 PolarHBondContact O-N 3.3Å; R488-G491 VanDerWaalsContact O-CA 3.25Å; R488-G491 WeakPolarHBondContact O-CA 3.26Å; R488-G491 PolarHBondContact O-N 3.5Å |
| 489 | L | 91.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -68.2 | -45.3 | 176.8 | -62.1 | -176.4 | 0 | 0 | 0 | 110.9 | I441 A447 A450 A455 V456 L459 C485 L486 G491 I492 G495 | I441-L489 HydrophobicContact CB-CD2 4.32Å; I441-L489 HydrophobicContact CD1-CD2 3.85Å; I441-L489 HydrophobicContact CD1-CG 4.1Å; I441-L489 HydrophobicContact CG2-CD2 4.25Å; A447-L489 HydrophobicContact CB-CD2 3.95Å; A450-L489 HydrophobicContact CB-CD2 3.8Å; A455-L489 HydrophobicContact CB-CD1 3.89Å; V456-L489 HydrophobicContact CG2-CB 3.99Å; V456-L489 HydrophobicContact CG2-CD1 3.74Å; V456-L489 HydrophobicContact CG2-CG 4.49Å; L459-L489 HydrophobicContact CD1-CD1 3.68Å; C485-L489 WeakPolarHBondContact O-CG 3.34Å; C485-L489 PolarHBondContact O-N 3.18Å; L486-L489 PolarHBondContact O-N 2.93Å; L489-G491 PolarHBondContact O-N 3.31Å; L489-I492 WeakPolarHBondContact O-CG1 3.29Å; L489-I492 PolarHBondContact O-N 3.05Å; L489-G495 WeakPolarHBondContact O-CA 2.91Å |
| 490 | T | 89.3 | Confident | 88.7 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | 3.6 | 166 | 61.5 | 0 | 0 | 0 | 0 | 113.4 | L486 K487 I492 L499 L689 R692 C693 | L486-T490 WeakPolarHBondContact O-CB 3.4Å; L486-T490 WeakPolarHBondContact O-CG2 3.48Å; L486-T490 PolarHBondContact O-N 3.3Å; L486-T490 PolarHBondContact O-OG1 2.95Å; K487-T490 WeakPolarHBondContact CA-OG1 3.22Å; T490-I492 VanDerWaalsContact C-N 3.25Å; T490-L499 HydrophobicContact CG2-CB 4.28Å; T490-L499 HydrophobicContact CG2-CD2 3.94Å; T490-L689 HydrophobicContact CG2-CD1 3.85Å; T490-L689 WeakPolarHBondContact OG1-CD1 3.47Å; T490-R692 PolarHBondContact O-NE 2.78Å; T490-C693 WeakPolarHBondContact CG2-SG 3.43Å |
| 491 | G | 85.1 | Confident | 88.3 | Confident | 34 Ų | 34 | 39.3 Ų | 39.3 | 35% | 0.351 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -30.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | K487 R488 L489 R692 | K487-G491 PolarHBondContact O-N 3.1Å; R488-G491 VanDerWaalsContact O-CA 3.25Å; R488-G491 WeakPolarHBondContact O-CA 3.26Å; R488-G491 PolarHBondContact O-N 3.5Å; L489-G491 PolarHBondContact O-N 3.31Å; G491-R692 PolarHBondContact O-NH2 2.9Å |
| 492 | I | 88.1 | Confident | 87.5 | Confident | 23 Ų | 23 | 39.4 Ų | 39.4 | 12% | 0.118 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -113.6 | 158.7 | -177.6 | 49.4 | 172.6 | 0 | 0 | 0 | 111.5 | K444 A447 V448 N451 L489 T490 G495 R496 | K444-I492 HydrophobicContact CG-CG2 3.99Å; A447-I492 HydrophobicContact CB-CD1 3.71Å; A447-I492 HydrophobicContact CB-CG1 4.37Å; V448-I492 HydrophobicContact CB-CD1 4.16Å; V448-I492 HydrophobicContact CG2-CD1 3.46Å; V448-I492 VanDerWaalsContact CG2-CD1 3.46Å; V448-I492 VanDerWaalsContact N-CD1 3.33Å; N451-I492 VanDerWaalsContact ND2-CD1 3.32Å; N451-I492 WeakPolarHBondContact ND2-CD1 3.48Å; L489-I492 WeakPolarHBondContact O-CG1 3.29Å; L489-I492 PolarHBondContact O-N 3.05Å; T490-I492 VanDerWaalsContact C-N 3.25Å; I492-G495 PolarHBondContact O-N 3.27Å; I492-R496 PolarHBondContact O-N 2.89Å |
| 493 | H | 85.2 | Confident | 86.7 | Confident | 81 Ų | 81 | 41.1 Ų | 41.1 | 38% | 0.375 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -60 | -51.1 | -176.9 | -176.8 | 101.3 | 0 | 0 | 0 | 112.4 | G495 R496 K497 | H493-G495 PolarHBondContact O-N 2.85Å; H493-G495 VanDerWaalsContact O-N 3.14Å; H493-R496 WeakPolarHBondContact O-CA 3.39Å; H493-R496 WeakPolarHBondContact O-CB 3.34Å; H493-R496 PolarHBondContact O-N 3.32Å; H493-K497 PolarHBondContact O-N 3.06Å |
| 494 | S | 87.3 | Confident | 86.2 | Confident | 17 Ų | 17 | 41 Ų | 41 | 12% | 0.119 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.8 | -30.3 | 179.6 | 61.8 | 0 | 0 | 0 | 0 | 113.4 | N451 K497 A498 E976 | N451-S494 PolarHBondContact ND2-OG 2.93Å; S494-K497 PolarHBondContact O-N 2.93Å; S494-A498 WeakPolarHBondContact O-CB 3.27Å; S494-A498 PolarHBondContact O-N 3.26Å; S494-E976 WeakPolarHBondContact CB-OE1 3.42Å |
| 495 | G | 87.3 | Confident | 85.7 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -77.5 | -24.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | N451 L489 I492 H493 L499 | N451-G495 WeakPolarHBondContact ND2-CA 3.41Å; N451-G495 PolarHBondContact ND2-N 3.13Å; L489-G495 WeakPolarHBondContact O-CA 2.91Å; I492-G495 PolarHBondContact O-N 3.27Å; H493-G495 PolarHBondContact O-N 2.85Å; H493-G495 VanDerWaalsContact O-N 3.14Å; G495-L499 WeakPolarHBondContact O-CB 3.44Å; G495-L499 PolarHBondContact O-N 3.37Å; G495-L499 VanDerWaalsContact O-N 3.16Å |
| 496 | R | 89.4 | Confident | 84.8 | Confident | 72 Ų | 72 | 46.4 Ų | 46.4 | 27% | 0.272 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -71.5 | -47.6 | 165.8 | -67.2 | -174.1 | -72.9 | 165.6 | 0.5 | 110.3 | I492 H493 A498 L499 M500 | I492-R496 PolarHBondContact O-N 2.89Å; H493-R496 WeakPolarHBondContact O-CA 3.39Å; H493-R496 WeakPolarHBondContact O-CB 3.34Å; H493-R496 PolarHBondContact O-N 3.32Å; R496-A498 PolarHBondContact O-N 3.27Å; R496-L499 PolarHBondContact O-N 2.77Å; R496-L499 VanDerWaalsContact O-N 3.16Å; R496-M500 WeakPolarHBondContact O-CG 3.29Å; R496-M500 PolarHBondContact O-N 3.24Å |
| 497 | K | 84.4 | Confident | 83.9 | Confident | 119 Ų | 119 | 47.1 Ų | 47.1 | 52% | 0.517 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -59.3 | -44.3 | 176.4 | -167.3 | 169.8 | -176 | 172.9 | 0 | 112.1 | H493 S494 L499 M500 K501 | H493-K497 PolarHBondContact O-N 3.06Å; S494-K497 PolarHBondContact O-N 2.93Å; K497-L499 PolarHBondContact O-N 3.09Å; K497-M500 PolarHBondContact O-N 3.08Å; K497-K501 PolarHBondContact O-N 3.03Å |
| 498 | A | 85.1 | Confident | 83.6 | Confident | 24 Ų | 24 | 43 Ų | 43 | 20% | 0.198 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.6 | -38.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V456 S494 R496 M500 S502 | V456-A498 HydrophobicContact CB-CB 4.11Å; V456-A498 HydrophobicContact CG1-CB 4.42Å; V456-A498 HydrophobicContact CG2-CB 4.06Å; S494-A498 WeakPolarHBondContact O-CB 3.27Å; S494-A498 PolarHBondContact O-N 3.26Å; R496-A498 PolarHBondContact O-N 3.27Å; A498-M500 VanDerWaalsContact C-N 3.34Å; A498-S502 WeakPolarHBondContact O-CB 3.37Å; A498-S502 PolarHBondContact O-N 3.43Å; A498-S502 PolarHBondContact O-OG 3.09Å |
| 499 | L | 87.1 | Confident | 82.8 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.7 | -39.9 | 174.3 | -170.7 | 77.4 | 0 | 0 | 0 | 111.3 | V456 L460 T490 G495 R496 K497 S502 G504 L508 C693 | V456-L499 HydrophobicContact CG1-CB 3.88Å; V456-L499 HydrophobicContact CG1-CD1 3.73Å; V456-L499 HydrophobicContact CG1-CG 4.43Å; L460-L499 HydrophobicContact CD1-CD1 4.39Å; L460-L499 HydrophobicContact CD2-CD1 4.13Å; T490-L499 HydrophobicContact CG2-CB 4.28Å; T490-L499 HydrophobicContact CG2-CD2 3.94Å; G495-L499 WeakPolarHBondContact O-CB 3.44Å; G495-L499 PolarHBondContact O-N 3.37Å; G495-L499 VanDerWaalsContact O-N 3.16Å; R496-L499 PolarHBondContact O-N 2.77Å; R496-L499 VanDerWaalsContact O-N 3.16Å; K497-L499 PolarHBondContact O-N 3.09Å; L499-S502 CarbonylContact O-C 3.56Å; L499-S502 PolarHBondContact O-N 3.03Å; L499-G504 WeakPolarHBondContact O-CA 3.49Å; L499-G504 PolarHBondContact O-N 3.47Å; L499-L508 HydrophobicContact CD2-CD1 3.95Å; L499-C693 HydrophobicContact CD2-CB 4.26Å; L499-C693 WeakPolarHBondContact CD2-SG 3.36Å |
| 500 | M | 84.4 | Confident | 81.7 | Confident | 88 Ų | 88 | 44.2 Ų | 44.2 | 43% | 0.433 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -68.3 | -50.9 | 178.1 | -65.3 | -176.1 | -56.3 | 0 | 0 | 111.9 | R496 K497 A498 S502 G503 L505 | R496-M500 WeakPolarHBondContact O-CG 3.29Å; R496-M500 PolarHBondContact O-N 3.24Å; K497-M500 PolarHBondContact O-N 3.08Å; A498-M500 VanDerWaalsContact C-N 3.34Å; M500-S502 PolarHBondContact O-N 2.86Å; M500-S502 VanDerWaalsContact O-N 3.13Å; M500-G503 PolarHBondContact O-N 2.97Å; M500-L505 HydrophobicContact CG-CD1 3.92Å; M500-L505 HydrophobicContact CG-CG 4.21Å; M500-L505 HydrophobicContact SD-CD1 4.11Å |
| 501 | K | 80.4 | Confident | 81 | Confident | 113 Ų | 113 | 45 Ų | 45 | 49% | 0.491 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -55.4 | -29.5 | 170.4 | -82.4 | -148.3 | 174.8 | -162 | 0 | 112.3 | E344 K497 G503 | E344-K501 IonicContact OE1-NZ 3.42Å; E344-K501 PolarHBondContact OE1-NZ 2.89Å; E344-K501 IonicContact OE2-NZ 3.71Å; E344-K501 PolarHBondContact OE2-NZ 3.23Å; K497-K501 PolarHBondContact O-N 3.03Å; K501-G503 VanDerWaalsContact C-N 3.27Å; K501-G503 PolarHBondContact O-N 2.93Å |
| 502 | S | 73.2 | Confident | 80.4 | Confident | 14 Ų | 14 | 43.4 Ų | 43.4 | 10% | 0.098 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 17.4 | 175.1 | -56 | 0 | 0 | 0 | 0 | 114.3 | R354 P457 A498 L499 M500 G504 | R354-S502 PolarHBondContact NH1-O 2.93Å; P457-S502 WeakPolarHBondContact CB-OG 3.38Å; A498-S502 WeakPolarHBondContact O-CB 3.37Å; A498-S502 PolarHBondContact O-N 3.43Å; A498-S502 PolarHBondContact O-OG 3.09Å; L499-S502 CarbonylContact O-C 3.56Å; L499-S502 PolarHBondContact O-N 3.03Å; M500-S502 PolarHBondContact O-N 2.86Å; M500-S502 VanDerWaalsContact O-N 3.13Å; S502-G504 PolarHBondContact O-N 3.46Å; S502-G504 VanDerWaalsContact O-N 3.08Å |
| 503 | G | 75 | Confident | 79.3 | Confident | 35 Ų | 35 | 46.1 Ų | 46.1 | 36% | 0.361 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | 18.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | M500 K501 L505 Y506 T507 | M500-G503 PolarHBondContact O-N 2.97Å; K501-G503 VanDerWaalsContact C-N 3.27Å; K501-G503 PolarHBondContact O-N 2.93Å; G503-L505 PolarHBondContact O-N 3.35Å; G503-Y506 PolarHBondContact O-N 3.45Å; G503-T507 WeakPolarHBondContact O-CB 3.48Å; G503-T507 PolarHBondContact O-N 2.9Å; G503-T507 PolarHBondContact O-OG1 3.04Å |
| 504 | G | 80.8 | Confident | 78.2 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -74.7 | -23.4 | -165 | 0 | 0 | 0 | 0 | 0 | 114.8 | L499 S502 L508 | L499-G504 WeakPolarHBondContact O-CA 3.49Å; L499-G504 PolarHBondContact O-N 3.47Å; S502-G504 PolarHBondContact O-N 3.46Å; S502-G504 VanDerWaalsContact O-N 3.08Å; G504-L508 WeakPolarHBondContact O-CB 3.29Å; G504-L508 WeakPolarHBondContact O-CD1 3.45Å; G504-L508 WeakPolarHBondContact O-CG 3.17Å; G504-L508 PolarHBondContact O-N 3.39Å |
| 505 | L | 81.5 | Confident | 77.1 | Confident | 44 Ų | 44 | 45.1 Ų | 45.1 | 23% | 0.23 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.8 | -54.9 | 172.4 | -72.3 | 176.1 | 0 | 0 | 0 | 110.8 | M500 G503 T507 L508 Y509 L690 C693 N694 | M500-L505 HydrophobicContact CG-CD1 3.92Å; M500-L505 HydrophobicContact CG-CG 4.21Å; M500-L505 HydrophobicContact SD-CD1 4.11Å; G503-L505 PolarHBondContact O-N 3.35Å; L505-T507 VanDerWaalsContact C-N 3.25Å; L505-T507 PolarHBondContact O-N 3.02Å; L505-L508 PolarHBondContact O-N 3.3Å; L505-Y509 WeakPolarHBondContact O-CB 3.38Å; L505-Y509 PolarHBondContact O-N 2.92Å; L505-L690 HydrophobicContact CD2-CD2 4.21Å; L505-C693 HydrophobicContact CD2-CB 3.78Å; L505-N694 HydrophobicContact CD1-CB 4.35Å; L505-N694 HydrophobicContact CD2-CB 4.18Å |
| 506 | Y | 74.2 | Confident | 75.3 | Confident | 125 Ų | 125 | 48.9 Ų | 48.9 | 49% | 0.49 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -53.6 | -45.3 | 173.2 | 178.7 | -87 | 0 | 0 | 0 | 111.2 | I358 G503 Y509 A510 | I358-Y506 HydrophobicContact CG1-CE1 4.17Å; G503-Y506 PolarHBondContact O-N 3.45Å; Y506-Y509 PolarHBondContact O-N 3.02Å; Y506-A510 VanDerWaalsContact O-CB 3.28Å; Y506-A510 WeakPolarHBondContact O-CB 3.46Å; Y506-A510 PolarHBondContact O-N 2.8Å |
| 507 | T | 73.2 | Confident | 72.9 | Confident | 16 Ų | 16 | 47.1 Ų | 47.1 | 10% | 0.098 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.2 | -52.6 | 178.9 | -60.4 | 0 | 0 | 0 | 0 | 113 | L460 L464 G503 L505 A510 I511 | L460-T507 HydrophobicContact CD1-CG2 3.84Å; L460-T507 HydrophobicContact CD2-CG2 4.16Å; L460-T507 HydrophobicContact CG-CG2 4.07Å; L464-T507 HydrophobicContact CD1-CG2 3.6Å; L464-T507 HydrophobicContact CD2-CG2 3.71Å; L464-T507 HydrophobicContact CG-CG2 3.77Å; G503-T507 WeakPolarHBondContact O-CB 3.48Å; G503-T507 PolarHBondContact O-N 2.9Å; G503-T507 PolarHBondContact O-OG1 3.04Å; L505-T507 VanDerWaalsContact C-N 3.25Å; L505-T507 PolarHBondContact O-N 3.02Å; T507-A510 PolarHBondContact O-N 3.26Å; T507-I511 WeakPolarHBondContact O-CG1 3.5Å; T507-I511 PolarHBondContact O-N 2.94Å; T507-I511 VanDerWaalsContact O-N 3.13Å |
| 508 | L | 83.1 | Confident | 70.6 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -71.1 | -33.3 | -179 | -64.1 | 166.6 | 0 | 0 | 0 | 111.6 | L460 F463 L499 G504 L505 I511 C512 T686 L689 L690 | L460-L508 HydrophobicContact CD1-CD2 4.38Å; F463-L508 HydrophobicContact CE1-CD2 4.37Å; L499-L508 HydrophobicContact CD2-CD1 3.95Å; G504-L508 WeakPolarHBondContact O-CB 3.29Å; G504-L508 WeakPolarHBondContact O-CD1 3.45Å; G504-L508 WeakPolarHBondContact O-CG 3.17Å; G504-L508 PolarHBondContact O-N 3.39Å; L505-L508 PolarHBondContact O-N 3.3Å; L508-I511 WeakPolarHBondContact O-CB 3.1Å; L508-I511 PolarHBondContact O-N 3.19Å; L508-C512 PolarHBondContact O-N 3.19Å; L508-C512 PolarHBondContact O-SG 3.35Å; L508-T686 HydrophobicContact CB-CG2 4.05Å; L508-T686 HydrophobicContact CD2-CG2 3.9Å; L508-L689 HydrophobicContact CD1-CB 4.24Å; L508-L689 HydrophobicContact CD1-CD2 3.63Å; L508-L689 HydrophobicContact CD1-CG 3.76Å; L508-L689 HydrophobicContact CD2-CD2 3.96Å; L508-L689 HydrophobicContact CG-CD2 4.48Å; L508-L690 HydrophobicContact CB-CD1 4.12Å; L508-L690 HydrophobicContact CB-CD2 3.84Å; L508-L690 HydrophobicContact CB-CG 3.71Å |
| 509 | Y | 73.5 | Confident | 68.6 | Low | 85 Ų | 85 | 50.5 Ų | 50.5 | 33% | 0.333 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67.4 | -41.6 | 175.9 | -173.8 | -105.3 | 0 | 0 | 0 | 111.7 | L505 Y506 I511 C512 I513 P700 | L505-Y509 WeakPolarHBondContact O-CB 3.38Å; L505-Y509 PolarHBondContact O-N 2.92Å; Y506-Y509 PolarHBondContact O-N 3.02Å; Y509-I511 VanDerWaalsContact C-N 3.33Å; Y509-I511 PolarHBondContact O-N 2.99Å; Y509-C512 WeakPolarHBondContact O-CB 3.48Å; Y509-C512 PolarHBondContact O-N 3.16Å; Y509-C512 VanDerWaalsContact O-N 3.11Å; Y509-I513 HydrophobicContact CD1-CD1 3.84Å; Y509-I513 HydrophobicContact CD1-CG1 4.49Å; Y509-I513 HydrophobicContact CE1-CD1 3.34Å; Y509-I513 HydrophobicContact CE1-CG1 4.21Å; Y509-I513 PolarHBondContact O-N 3.21Å; Y509-P700 HydrophobicContact CD2-CG 4.48Å; Y509-P700 HydrophobicContact CE2-CB 4.43Å; Y509-P700 HydrophobicContact CE2-CG 4.05Å |
| 510 | A | 68.3 | Low | 66.2 | Low | 38 Ų | 38 | 53 Ų | 53 | 31% | 0.314 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.9 | -36.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y506 T507 G514 | Y506-A510 VanDerWaalsContact O-CB 3.28Å; Y506-A510 WeakPolarHBondContact O-CB 3.46Å; Y506-A510 PolarHBondContact O-N 2.8Å; T507-A510 PolarHBondContact O-N 3.26Å; A510-G514 PolarHBondContact O-N 3.48Å |
| 511 | I | 75.4 | Confident | 64.1 | Low | 16 Ų | 16 | 52.1 Ų | 52.1 | 8% | 0.082 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.6 | -50.2 | 168.9 | -68.6 | 171.4 | 0 | 0 | 0 | 110 | F463 L464 T507 L508 Y509 I513 G514 Y515 T686 | F463-I511 HydrophobicContact CD1-CD1 4.2Å; F463-I511 HydrophobicContact CE1-CD1 3.62Å; F463-I511 HydrophobicContact CZ-CD1 4.44Å; L464-I511 HydrophobicContact CD2-CD1 4.03Å; L464-I511 HydrophobicContact CD2-CG1 4.37Å; T507-I511 WeakPolarHBondContact O-CG1 3.5Å; T507-I511 PolarHBondContact O-N 2.94Å; T507-I511 VanDerWaalsContact O-N 3.13Å; L508-I511 WeakPolarHBondContact O-CB 3.1Å; L508-I511 PolarHBondContact O-N 3.19Å; Y509-I511 VanDerWaalsContact C-N 3.33Å; Y509-I511 PolarHBondContact O-N 2.99Å; I511-I513 PolarHBondContact O-N 2.76Å; I511-G514 WeakPolarHBondContact O-CA 3.24Å; I511-G514 PolarHBondContact O-N 3.39Å; I511-Y515 HydrophobicContact CG2-CE2 4.09Å; I511-Y515 WeakPolarHBondContact O-CD2 3.22Å; I511-Y515 PolarHBondContact O-N 2.7Å; I511-T686 HydrophobicContact CB-CG2 4.38Å; I511-T686 HydrophobicContact CG2-CG2 4.1Å |
| 512 | C | 72.3 | Confident | 62.4 | Low | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.014 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.9 | -39.7 | 179.3 | -71.5 | 0 | 0 | 0 | 0 | 113.7 | L508 Y509 G514 Y515 L683 C687 L690 P700 | L508-C512 PolarHBondContact O-N 3.19Å; L508-C512 PolarHBondContact O-SG 3.35Å; Y509-C512 WeakPolarHBondContact O-CB 3.48Å; Y509-C512 PolarHBondContact O-N 3.16Å; Y509-C512 VanDerWaalsContact O-N 3.11Å; C512-G514 VanDerWaalsContact C-N 3.25Å; C512-G514 PolarHBondContact O-N 2.9Å; C512-Y515 PolarHBondContact O-N 3.43Å; C512-Y515 VanDerWaalsContact O-N 3.1Å; C512-L683 HydrophobicContact CB-CD1 4.38Å; C512-C687 PolarHBondContact SG-SG 2.78Å; C512-L690 HydrophobicContact CB-CD1 4.38Å; C512-L690 VanDerWaalsContact SG-CD1 3.51Å; C512-P700 HydrophobicContact CB-CG 4.04Å |
| 513 | I | 65 | Low | 60.9 | Low | 80 Ų | 80 | 63.6 Ų | 63.6 | 41% | 0.41 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.1 | -33.1 | 172.2 | -74.8 | -179.7 | 0 | 0 | 0 | 111.3 | Y509 I511 Y515 I516 G517 P700 | Y509-I513 HydrophobicContact CD1-CD1 3.84Å; Y509-I513 HydrophobicContact CD1-CG1 4.49Å; Y509-I513 HydrophobicContact CE1-CD1 3.34Å; Y509-I513 HydrophobicContact CE1-CG1 4.21Å; Y509-I513 PolarHBondContact O-N 3.21Å; I511-I513 PolarHBondContact O-N 2.76Å; I513-Y515 PolarHBondContact O-N 2.77Å; I513-I516 PolarHBondContact O-N 3.27Å; I513-G517 PolarHBondContact O-N 2.89Å; I513-P700 HydrophobicContact CG1-CG 4.45Å |
| 514 | G | 61.6 | Low | 59.1 | Low | 48 Ų | 48 | 63.5 Ų | 63.5 | 50% | 0.495 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -56.5 | -26.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | A510 I511 C512 P520 | A510-G514 PolarHBondContact O-N 3.48Å; I511-G514 WeakPolarHBondContact O-CA 3.24Å; I511-G514 PolarHBondContact O-N 3.39Å; C512-G514 VanDerWaalsContact C-N 3.25Å; C512-G514 PolarHBondContact O-N 2.9Å; G514-P520 WeakPolarHBondContact O-CB 3.37Å; G514-P520 WeakPolarHBondContact O-CG 3.47Å |
| 515 | Y | 64 | Low | 57 | Low | 28 Ų | 28 | 69.2 Ų | 69.2 | 11% | 0.11 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -0.7 | 174 | -72.5 | -97.9 | 0 | 0 | 0 | 114 | H467 W473 I511 C512 I513 P520 L683 | H467-Y515 PolarHBondContact CE1-OH 2.8Å; H467-Y515 AromaticContact NE2-CE2 3.55Å; H467-Y515 AromaticContact NE2-CZ 3.84Å; H467-Y515 PolarHBondContact NE2-OH 3.23Å; W473-Y515 VanDerWaalsContact CH2-OH 3.28Å; W473-Y515 WeakPolarHBondContact CH2-OH 3.25Å; I511-Y515 HydrophobicContact CG2-CE2 4.09Å; I511-Y515 WeakPolarHBondContact O-CD2 3.22Å; I511-Y515 PolarHBondContact O-N 2.7Å; C512-Y515 PolarHBondContact O-N 3.43Å; C512-Y515 VanDerWaalsContact O-N 3.1Å; I513-Y515 PolarHBondContact O-N 2.77Å; Y515-P520 VanDerWaalsContact C-CG 3.41Å; Y515-P520 VanDerWaalsContact O-CG 3.3Å; Y515-P520 WeakPolarHBondContact O-CG 3.27Å; Y515-L683 HydrophobicContact CD1-CB 4.45Å; Y515-L683 HydrophobicContact CD1-CD2 3.99Å; Y515-L683 HydrophobicContact CD2-CD1 3.85Å; Y515-L683 HydrophobicContact CE1-CB 4.48Å; Y515-L683 HydrophobicContact CE2-CD1 4.48Å; Y515-L683 HydrophobicContact CG-CD1 3.96Å; Y515-L683 HydrophobicContact CG-CD2 3.89Å; Y515-L683 HydrophobicContact CG-CG 4.35Å |
| 516 | I | 50.4 | Low | 55 | Low | 79 Ų | 79 | 73.1 Ų | 73.1 | 41% | 0.405 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.4 | -3.3 | -174.9 | -64.2 | 169.9 | 0 | 0 | 0 | 112 | I513 P700 | I513-I516 PolarHBondContact O-N 3.27Å; I516-P700 HydrophobicContact CD1-CB 3.54Å; I516-P700 HydrophobicContact CD1-CG 3.59Å |
| 517 | G | 39.1 | Very low | 53.7 | Low | 35 Ų | 35 | 71.5 Ų | 71.5 | 36% | 0.361 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -63.9 | 171.9 | 166.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | I513 D519 P520 | I513-G517 PolarHBondContact O-N 2.89Å; G517-D519 PolarHBondContact O-N 3.47Å; G517-D519 VanDerWaalsContact O-N 3.12Å; G517-P520 WeakPolarHBondContact O-CD 3.14Å |
| 518 | P | 35.4 | Very low | 52.3 | Low | 109 Ų | 109 | 73.8 Ų | 73.8 | 71% | 0.708 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -78.8 | 15.4 | -175 | 32.3 | -37.1 | 0 | 0 | 0 | 115.7 | K522 | P518-K522 WeakPolarHBondContact O-CE 3.4Å; P518-K522 PolarHBondContact O-NZ 2.94Å |
| 519 | D | 42 | Very low | 50.4 | Low | 105 Ų | 105 | 77 Ų | 77 | 56% | 0.561 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -148.7 | 8.2 | -177.8 | -119.9 | -46.1 | 0 | 0 | 0 | 120.5 | G517 K522 | G517-D519 PolarHBondContact O-N 3.47Å; G517-D519 VanDerWaalsContact O-N 3.12Å; D519-K522 VanDerWaalsContact CG-NZ 3.27Å; D519-K522 VanDerWaalsContact OD1-CD 3.3Å; D519-K522 WeakPolarHBondContact OD1-CD 3.2Å; D519-K522 IonicContact OD1-NZ 2.66Å; D519-K522 PolarHBondContact OD1-NZ 3.3Å; D519-K522 IonicContact OD2-NZ 2.8Å; D519-K522 PolarHBondContact OD2-NZ 3.3Å |
| 520 | P | 37.5 | Very low | 49.2 | Very low | 53 Ų | 53 | 78.1 Ų | 78.1 | 34% | 0.344 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -80.4 | -21.8 | 175.3 | 33.1 | -31.8 | 0 | 0 | 0 | 112.9 | G514 Y515 G517 | G514-P520 WeakPolarHBondContact O-CB 3.37Å; G514-P520 WeakPolarHBondContact O-CG 3.47Å; Y515-P520 VanDerWaalsContact C-CG 3.41Å; Y515-P520 VanDerWaalsContact O-CG 3.3Å; Y515-P520 WeakPolarHBondContact O-CG 3.27Å; G517-P520 WeakPolarHBondContact O-CD 3.14Å |
| 521 | L | 41.4 | Very low | 48.3 | Very low | 70 Ų | 70 | 82.2 Ų | 82.2 | 37% | 0.366 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -117.7 | 6.9 | -171.9 | -68.1 | 176.3 | 0 | 0 | 0 | 115 | R523 T524 L529 | L521-R523 PolarHBondContact O-N 3.12Å; L521-T524 PolarHBondContact O-N 3.29Å; L521-T524 PolarHBondContact O-OG1 2.8Å; L521-L529 HydrophobicContact CD1-CD1 4.18Å |
| 522 | K | 42.9 | Very low | 46.4 | Very low | 150 Ų | 150 | 84.4 Ų | 84.4 | 65% | 0.652 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | 22.6 | 172.7 | -69.4 | -164.3 | -166.9 | 136.6 | 0 | 114.8 | P518 D519 | P518-K522 WeakPolarHBondContact O-CE 3.4Å; P518-K522 PolarHBondContact O-NZ 2.94Å; D519-K522 VanDerWaalsContact CG-NZ 3.27Å; D519-K522 VanDerWaalsContact OD1-CD 3.3Å; D519-K522 WeakPolarHBondContact OD1-CD 3.2Å; D519-K522 IonicContact OD1-NZ 2.66Å; D519-K522 PolarHBondContact OD1-NZ 3.3Å; D519-K522 IonicContact OD2-NZ 2.8Å; D519-K522 PolarHBondContact OD2-NZ 3.3Å |
| 523 | R | 41.5 | Very low | 45.4 | Very low | 218 Ų | 218 | 87 Ų | 87 | 82% | 0.823 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.2 | 4.6 | 175.8 | -62 | -174.1 | -176.1 | 169.4 | 4.6 | 113 | L521 | L521-R523 PolarHBondContact O-N 3.12Š|
| 524 | T | 38 | Very low | 44.5 | Very low | 32 Ų | 32 | 86.5 Ų | 86.5 | 20% | 0.196 | 46% | 0.462 | C | S | . | . | S | Bend | trans | -129.8 | 127.1 | -178.8 | 47.8 | 0 | 0 | 0 | 0 | 110.1 | L521 I676 | L521-T524 PolarHBondContact O-N 3.29Å; L521-T524 PolarHBondContact O-OG1 2.8Å; T524-I676 HydrophobicContact CG2-CG2 3.71Å |
| 525 | N | 37 | Very low | 43.8 | Very low | 121 Ų | 121 | 90.7 Ų | 90.7 | 65% | 0.647 | 47% | 0.469 | S | S | * | . | trans | -52.1 | 142.2 | 179.5 | -66.7 | 1.7 | 0 | 0 | 0 | 112 | D527 I528 L529 | N525-D527 HydrophobicContact CB-CB 4.38Å; N525-D527 PolarHBondContact O-N 2.91Å; N525-D527 VanDerWaalsContact O-N 3.1Å; N525-I528 HydrophobicContact CB-CD1 4.46Å; N525-I528 HydrophobicContact CB-CG1 4.41Å; N525-I528 WeakPolarHBondContact O-CB 3.22Å; N525-I528 PolarHBondContact O-N 3.46Å; N525-L529 PolarHBondContact O-N 3.2Å | ||
| 526 | D | 40.1 | Very low | 42.7 | Very low | 126 Ų | 126 | 93.3 Ų | 93.3 | 67% | 0.674 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -56.7 | -29.9 | 178.2 | -55.9 | -66.7 | 0 | 0 | 0 | 112.7 | I528 L529 L530 | D526-I528 PolarHBondContact O-N 3.17Å; D526-L529 WeakPolarHBondContact O-CA 3.44Å; D526-L529 WeakPolarHBondContact O-CB 3.45Å; D526-L529 PolarHBondContact O-N 3.24Å; D526-L530 PolarHBondContact O-N 2.81Å |
| 527 | D | 45.6 | Very low | 42.3 | Very low | 91 Ų | 91 | 95 Ų | 95 | 49% | 0.487 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -56.9 | -32.4 | 173.1 | -147.6 | 51.3 | 0 | 0 | 0 | 113.3 | N525 K531 | N525-D527 HydrophobicContact CB-CB 4.38Å; N525-D527 PolarHBondContact O-N 2.91Å; N525-D527 VanDerWaalsContact O-N 3.1Å; D527-K531 WeakPolarHBondContact O-CB 3.21Å; D527-K531 WeakPolarHBondContact O-CD 3.48Å; D527-K531 VanDerWaalsContact O-CG 3.29Å; D527-K531 WeakPolarHBondContact O-CG 2.99Å; D527-K531 PolarHBondContact O-N 2.89Å; D527-K531 IonicContact OD2-NZ 2.81Å; D527-K531 PolarHBondContact OD2-NZ 3.32Å |
| 528 | I | 44.2 | Very low | 42.4 | Very low | 63 Ų | 63 | 99.9 Ų | 99.9 | 32% | 0.323 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -77.3 | -38.3 | 174.7 | -57.8 | 174.6 | 0 | 0 | 0 | 109.9 | N525 D526 K531 M532 | N525-I528 HydrophobicContact CB-CD1 4.46Å; N525-I528 HydrophobicContact CB-CG1 4.41Å; N525-I528 WeakPolarHBondContact O-CB 3.22Å; N525-I528 PolarHBondContact O-N 3.46Å; D526-I528 PolarHBondContact O-N 3.17Å; I528-K531 PolarHBondContact O-N 3.06Å; I528-M532 HydrophobicContact CG2-CG 4.48Å; I528-M532 HydrophobicContact CG2-SD 4.32Å; I528-M532 WeakPolarHBondContact O-CB 3.4Å; I528-M532 WeakPolarHBondContact O-CG 3.4Å; I528-M532 PolarHBondContact O-N 2.84Å |
| 529 | L | 43.8 | Very low | 42.5 | Very low | 68 Ų | 68 | 98.3 Ų | 98.3 | 36% | 0.356 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.3 | -44.3 | 176.2 | -161.9 | 74.3 | 0 | 0 | 0 | 110.9 | L521 N525 D526 M532 I533 | L521-L529 HydrophobicContact CD1-CD1 4.18Å; N525-L529 PolarHBondContact O-N 3.2Å; D526-L529 WeakPolarHBondContact O-CA 3.44Å; D526-L529 WeakPolarHBondContact O-CB 3.45Å; D526-L529 PolarHBondContact O-N 3.24Å; L529-M532 PolarHBondContact O-N 2.9Å; L529-I533 HydrophobicContact CG-CD1 4.31Å; L529-I533 WeakPolarHBondContact O-CG1 3.48Å; L529-I533 PolarHBondContact O-N 2.89Å |
| 530 | L | 47.9 | Very low | 42.1 | Very low | 109 Ų | 109 | 100.1 Ų | 100.1 | 57% | 0.571 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -59.7 | -45.7 | 173.3 | -79.6 | 162.3 | 0 | 0 | 0 | 112.2 | D526 M532 I533 S534 | D526-L530 PolarHBondContact O-N 2.81Å; L530-M532 VanDerWaalsContact C-N 3.35Å; L530-M532 PolarHBondContact O-N 3.36Å; L530-I533 PolarHBondContact O-N 2.89Å; L530-S534 WeakPolarHBondContact O-CB 3.36Å; L530-S534 PolarHBondContact O-N 3.28Å |
| 531 | K | 48.6 | Very low | 41.6 | Very low | 124 Ų | 124 | 100.7 Ų | 100.7 | 54% | 0.539 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.2 | -36.5 | 175 | -75.8 | 164 | -177.6 | 151.1 | 0 | 112.4 | D527 I528 S534 Q535 | D527-K531 WeakPolarHBondContact O-CB 3.21Å; D527-K531 WeakPolarHBondContact O-CD 3.48Å; D527-K531 VanDerWaalsContact O-CG 3.29Å; D527-K531 WeakPolarHBondContact O-CG 2.99Å; D527-K531 PolarHBondContact O-N 2.89Å; D527-K531 IonicContact OD2-NZ 2.81Å; D527-K531 PolarHBondContact OD2-NZ 3.32Å; I528-K531 PolarHBondContact O-N 3.06Å; K531-S534 WeakPolarHBondContact O-CB 3.39Å; K531-S534 PolarHBondContact O-N 2.74Å; K531-Q535 WeakPolarHBondContact O-CG 3.42Å; K531-Q535 PolarHBondContact O-N 3.24Å |
| 532 | M | 37 | Very low | 41 | Very low | 61 Ų | 61 | 102.9 Ų | 102.9 | 30% | 0.3 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68 | -42.9 | 174.4 | -77.6 | -178.8 | 64 | 0 | 0 | 112.6 | I528 L529 L530 S534 Q535 Y536 I680 | I528-M532 HydrophobicContact CG2-CG 4.48Å; I528-M532 HydrophobicContact CG2-SD 4.32Å; I528-M532 WeakPolarHBondContact O-CB 3.4Å; I528-M532 WeakPolarHBondContact O-CG 3.4Å; I528-M532 PolarHBondContact O-N 2.84Å; L529-M532 PolarHBondContact O-N 2.9Å; L530-M532 VanDerWaalsContact C-N 3.35Å; L530-M532 PolarHBondContact O-N 3.36Å; M532-S534 VanDerWaalsContact C-N 3.31Å; M532-S534 PolarHBondContact O-N 2.83Å; M532-Q535 PolarHBondContact O-N 2.83Å; M532-Y536 WeakPolarHBondContact O-CB 3.33Å; M532-Y536 PolarHBondContact O-N 2.91Å; M532-I680 HydrophobicContact CE-CD1 4.17Å; M532-I680 HydrophobicContact CE-CG1 4.31Å; M532-I680 HydrophobicContact CE-CG2 3.66Å; M532-I680 HydrophobicContact SD-CD1 3.77Å |
| 533 | I | 49.7 | Very low | 40.4 | Very low | 56 Ų | 56 | 99 Ų | 99 | 29% | 0.287 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.6 | -40.7 | 175.3 | -68.5 | 164.4 | 0 | 0 | 0 | 110.4 | L529 L530 Y536 K537 | L529-I533 HydrophobicContact CG-CD1 4.31Å; L529-I533 WeakPolarHBondContact O-CG1 3.48Å; L529-I533 PolarHBondContact O-N 2.89Å; L530-I533 PolarHBondContact O-N 2.89Å; I533-Y536 PolarHBondContact O-N 3.47Å; I533-K537 HydrophobicContact CG2-CD 4.42Å; I533-K537 WeakPolarHBondContact O-CG 3.47Å; I533-K537 PolarHBondContact O-N 3.25Å |
| 534 | S | 47.7 | Very low | 39.9 | Very low | 70 Ų | 70 | 94.8 Ų | 94.8 | 49% | 0.49 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.6 | -46.8 | 172.6 | 179.6 | 0 | 0 | 0 | 0 | 112.2 | L530 K531 M532 | L530-S534 WeakPolarHBondContact O-CB 3.36Å; L530-S534 PolarHBondContact O-N 3.28Å; K531-S534 WeakPolarHBondContact O-CB 3.39Å; K531-S534 PolarHBondContact O-N 2.74Å; M532-S534 VanDerWaalsContact C-N 3.31Å; M532-S534 PolarHBondContact O-N 2.83Å |
| 535 | Q | 45.3 | Very low | 39.4 | Very low | 137 Ų | 137 | 101.2 Ų | 101.2 | 64% | 0.64 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.3 | -38.6 | 175.6 | -73.7 | -174.6 | -5.9 | 0 | 0 | 112.9 | K531 M532 N538 | K531-Q535 WeakPolarHBondContact O-CG 3.42Å; K531-Q535 PolarHBondContact O-N 3.24Å; M532-Q535 PolarHBondContact O-N 2.83Å; Q535-N538 PolarHBondContact O-N 3.11Å |
| 536 | Y | 40.6 | Very low | 38.9 | Very low | 82 Ų | 82 | 101.5 Ų | 101.5 | 32% | 0.322 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -70 | -33.7 | -179.9 | -123.9 | -97.4 | 0 | 0 | 0 | 112.9 | M532 I533 N538 I539 | M532-Y536 WeakPolarHBondContact O-CB 3.33Å; M532-Y536 PolarHBondContact O-N 2.91Å; I533-Y536 PolarHBondContact O-N 3.47Å; Y536-N538 PolarHBondContact O-N 2.83Å; Y536-I539 PolarHBondContact O-N 3.39Å; Y536-I539 VanDerWaalsContact O-N 3.12Å |
| 537 | K | 42.5 | Very low | 38.4 | Very low | 116 Ų | 116 | 103 Ų | 103 | 50% | 0.504 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.5 | -31.8 | 173.4 | -81.3 | -179.3 | 172.1 | -179.7 | 0 | 112.5 | I533 I539 E705 | I533-K537 HydrophobicContact CG2-CD 4.42Å; I533-K537 WeakPolarHBondContact O-CG 3.47Å; I533-K537 PolarHBondContact O-N 3.25Å; K537-I539 PolarHBondContact O-N 3.4Å; K537-E705 WeakPolarHBondContact CE-OE1 3.32Å; K537-E705 IonicContact NZ-OE1 3.89Å |
| 538 | N | 41.8 | Very low | 37.6 | Very low | 136 Ų | 136 | 106.7 Ų | 106.7 | 73% | 0.727 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | 1.6 | 178.1 | -64.8 | -17.2 | 0 | 0 | 0 | 114.5 | Q535 Y536 | Q535-N538 PolarHBondContact O-N 3.11Å; Y536-N538 PolarHBondContact O-N 2.83Å |
| 539 | I | 36.9 | Very low | 36.7 | Very low | 77 Ų | 77 | 109.4 Ų | 109.4 | 40% | 0.395 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 10.9 | -177.3 | -57.1 | 171.1 | 0 | 0 | 0 | 111.5 | Y536 K537 S541 | Y536-I539 PolarHBondContact O-N 3.39Å; Y536-I539 VanDerWaalsContact O-N 3.12Å; K537-I539 PolarHBondContact O-N 3.4Å; I539-S541 PolarHBondContact O-N 2.89Å |
| 540 | K | 33.3 | Very low | 36 | Very low | 142 Ų | 142 | 113.2 Ų | 113.2 | 62% | 0.617 | 57% | 0.567 | S | S | * | * | trans | -88 | 66.7 | 179.8 | -70 | -175.9 | 177.6 | 175.9 | 0 | 113.7 | E705 | K540-E705 IonicContact NZ-OE1 2.77Å; K540-E705 IonicContact NZ-OE2 3.53Å; K540-E705 PolarHBondContact NZ-OE2 3.4Å | ||
| 541 | S | 28 | Very low | 34.9 | Very low | 65 Ų | 65 | 114.5 Ų | 114.5 | 46% | 0.455 | 57% | 0.573 | S | S | . | * | trans | -153.8 | 130 | 162.4 | 60.9 | 0 | 0 | 0 | 0 | 111.5 | I539 T543 | I539-S541 PolarHBondContact O-N 2.89Å; S541-T543 VanDerWaalsContact C-N 3.3Å; S541-T543 PolarHBondContact O-N 2.75Å | ||
| 542 | P | 29.1 | Very low | 33.9 | Very low | 117 Ų | 117 | 111.4 Ų | 111.4 | 76% | 0.76 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | -17.8 | -176.4 | -22.3 | 34.6 | 0 | 0 | 0 | 116.2 | ||
| 543 | T | 30.3 | Very low | 33.5 | Very low | 69 Ų | 69 | 114.3 Ų | 114.3 | 42% | 0.423 | 58% | 0.584 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -105.4 | -8.2 | -156.9 | 42.3 | 0 | 0 | 0 | 0 | 116.4 | S541 Y1156 | S541-T543 VanDerWaalsContact C-N 3.3Å; S541-T543 PolarHBondContact O-N 2.75Å; T543-Y1156 HydrophobicContact CG2-CD1 4.14Å; T543-Y1156 HydrophobicContact CG2-CD2 4.22Å; T543-Y1156 HydrophobicContact CG2-CE1 3.91Å; T543-Y1156 HydrophobicContact CG2-CE2 3.99Å; T543-Y1156 HydrophobicContact CG2-CG 4.3Å |
| 544 | H | 30.7 | Very low | 32.5 | Very low | 129 Ų | 129 | 117 Ų | 117 | 60% | 0.597 | 60% | 0.599 | S | S | * | * | trans | -121.1 | 87.7 | -178 | -103.2 | -61.4 | 0 | 0 | 0 | 112.5 | ||||
| 545 | Y | 26.5 | Very low | 31.5 | Very low | 167 Ų | 167 | 119.7 Ų | 119.7 | 66% | 0.655 | 60% | 0.604 | S | S | * | * | trans | -145.6 | 36 | 166.6 | -116.8 | -75.8 | 0 | 0 | 0 | 115.7 | ||||
| 546 | N | 27.2 | Very low | 30.7 | Very low | 127 Ų | 127 | 120.9 Ų | 120.9 | 68% | 0.679 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -118.4 | 161.4 | 147.4 | -80 | -58.9 | 0 | 0 | 0 | 109 | Q548 | N546-Q548 VanDerWaalsContact C-N 3.32Å; N546-Q548 PolarHBondContact O-N 3.42Å |
| 547 | E | 28.9 | Very low | 30.2 | Very low | 156 Ų | 156 | 122.5 Ų | 122.5 | 73% | 0.729 | 62% | 0.618 | S | S | * | * | S | Bend | trans | 68.5 | -33.6 | 173.1 | -50.1 | -149.2 | 131.3 | 0 | 0 | 119.5 | L549 N550 | E547-L549 PolarHBondContact O-N 2.75Å; E547-N550 PolarHBondContact O-ND2 3.02Å |
| 548 | Q | 29.4 | Very low | 29.5 | Very low | 169 Ų | 169 | 123.6 Ų | 123.6 | 79% | 0.79 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | 52.3 | 178.6 | -69.5 | -157.9 | 2 | 0 | 0 | 115.5 | N546 | N546-Q548 VanDerWaalsContact C-N 3.32Å; N546-Q548 PolarHBondContact O-N 3.42Å |
| 549 | L | 26 | Very low | 28.8 | Very low | 120 Ų | 120 | 124.3 Ų | 124.3 | 63% | 0.628 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.4 | 30 | 142.7 | -113.3 | 172.1 | 0 | 0 | 0 | 112.4 | E547 L551 | E547-L549 PolarHBondContact O-N 2.75Å; L549-L551 HydrophobicContact CD2-CB 4.32Å; L549-L551 HydrophobicContact CD2-CD1 4.35Å; L549-L551 PolarHBondContact O-N 3.39Å |
| 550 | N | 27.7 | Very low | 28.3 | Very low | 149 Ų | 149 | 124.6 Ų | 124.6 | 80% | 0.797 | 63% | 0.628 | S | S | * | * | trans | -73.5 | 44.7 | 156.9 | -79.8 | -45.2 | 0 | 0 | 0 | 111.7 | E547 S552 | E547-N550 PolarHBondContact O-ND2 3.02Å; N550-S552 PolarHBondContact O-N 3.34Å | ||
| 551 | L | 26.7 | Very low | 28 | Very low | 135 Ų | 135 | 123.5 Ų | 123.5 | 71% | 0.707 | 63% | 0.633 | S | S | * | * | trans | -74.6 | 117.9 | 161.2 | -91.1 | 165.4 | 0 | 0 | 0 | 107 | L549 | L549-L551 HydrophobicContact CD2-CB 4.32Å; L549-L551 HydrophobicContact CD2-CD1 4.35Å; L549-L551 PolarHBondContact O-N 3.39Å | ||
| 552 | S | 26.6 | Very low | 27.9 | Very low | 59 Ų | 59 | 131.3 Ų | 131.3 | 41% | 0.413 | 65% | 0.652 | S | S | . | * | trans | -66.5 | 139.6 | -159.6 | 63.1 | 0 | 0 | 0 | 0 | 113.6 | N550 N554 Q555 | N550-S552 PolarHBondContact O-N 3.34Å; S552-N554 PolarHBondContact O-N 2.73Å; S552-Q555 PolarHBondContact O-N 2.81Å; S552-Q555 VanDerWaalsContact O-N 3.12Å | ||
| 553 | N | 28.3 | Very low | 27.8 | Very low | 122 Ų | 122 | 132 Ų | 132 | 65% | 0.652 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | 9.6 | 161.9 | -76.8 | -6.1 | 0 | 0 | 0 | 113.6 | ||
| 554 | N | 28.9 | Very low | 27.7 | Very low | 114 Ų | 114 | 135.8 Ų | 135.8 | 61% | 0.61 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -2.1 | 167.9 | -69.7 | -15.7 | 0 | 0 | 0 | 113.4 | S552 Q558 | S552-N554 PolarHBondContact O-N 2.73Å; N554-Q558 WeakPolarHBondContact O-CG 3.43Å; N554-Q558 PolarHBondContact O-NE2 3.08Å |
| 555 | Q | 27.2 | Very low | 27.5 | Very low | 125 Ų | 125 | 136.7 Ų | 136.7 | 58% | 0.584 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.2 | -14.6 | 176 | -78.5 | -170.5 | -43 | 0 | 0 | 115.2 | S552 | S552-Q555 PolarHBondContact O-N 2.81Å; S552-Q555 VanDerWaalsContact O-N 3.12Å |
| 556 | Y | 27.4 | Very low | 27.5 | Very low | 162 Ų | 162 | 134.3 Ų | 134.3 | 64% | 0.635 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -39.9 | 162.1 | -117.3 | -102.8 | 0 | 0 | 0 | 111 | Q558 L559 H670 | Y556-Q558 PolarHBondContact O-N 3.1Å; Y556-Q558 VanDerWaalsContact O-N 3.08Å; Y556-L559 PolarHBondContact O-N 2.93Å; Y556-H670 AromaticContact CE1-CE1 3.82Å |
| 557 | D | 30.4 | Very low | 27.3 | Very low | 117 Ų | 117 | 133.6 Ų | 133.6 | 63% | 0.626 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | 1.8 | 173.2 | -70.9 | -6.3 | 0 | 0 | 0 | 113.9 | ||
| 558 | Q | 28 | Very low | 27.1 | Very low | 138 Ų | 138 | 132.3 Ų | 132.3 | 65% | 0.645 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.2 | -4.1 | 174 | -80 | -179.1 | 9.6 | 0 | 0 | 114.7 | N554 Y556 | N554-Q558 WeakPolarHBondContact O-CG 3.43Å; N554-Q558 PolarHBondContact O-NE2 3.08Å; Y556-Q558 PolarHBondContact O-N 3.1Å; Y556-Q558 VanDerWaalsContact O-N 3.08Å |
| 559 | L | 26.6 | Very low | 26.9 | Very low | 151 Ų | 151 | 129.4 Ų | 129.4 | 79% | 0.791 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -102.3 | 5.4 | 171.3 | -80 | 167.4 | 0 | 0 | 0 | 113.6 | Y556 | Y556-L559 PolarHBondContact O-N 2.93Š|
| 560 | Q | 28 | Very low | 26.9 | Very low | 83 Ų | 83 | 129 Ų | 129 | 39% | 0.388 | 68% | 0.679 | S | S | . | * | S | Bend | trans | -137.5 | 52.7 | 170.1 | -67 | -164.3 | 1.6 | 0 | 0 | 113.3 | H670 | Q560-H670 PolarHBondContact NE2-NE2 2.94Š|
| 561 | T | 26 | Very low | 26.9 | Very low | 119 Ų | 119 | 129.7 Ų | 129.7 | 73% | 0.73 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -164.5 | 31.5 | 158.3 | 10.9 | 0 | 0 | 0 | 0 | 116.4 | ||
| 562 | R | 25.3 | Very low | 26.7 | Very low | 229 Ų | 229 | 130.2 Ų | 130.2 | 86% | 0.864 | 68% | 0.683 | S | S | * | * | trans | -161.4 | 129.3 | 165.7 | -101.9 | 174.9 | 173.9 | -174.2 | -4.6 | 106.4 | ||||
| 563 | T | 27.5 | Very low | 26.9 | Very low | 133 Ų | 133 | 132.5 Ų | 132.5 | 82% | 0.816 | 70% | 0.697 | S | S | * | * | cis | -82.7 | 153.5 | 0.9 | 39.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 564 | H | 27.6 | Very low | 26.8 | Very low | 147 Ų | 147 | 133.7 Ų | 133.7 | 68% | 0.681 | 70% | 0.701 | S | S | * | * | cis | 66.2 | 110.6 | 8.2 | -102.9 | -70.3 | 0 | 0 | 0 | 117.5 | ||||
| 565 | L | 27 | Very low | 26.6 | Very low | 148 Ų | 148 | 135.5 Ų | 135.5 | 78% | 0.775 | 71% | 0.706 | S | S | * | * | trans | 72.3 | 139.3 | 176.7 | -49.8 | 127.4 | 0 | 0 | 0 | 113.5 | ||||
| 566 | T | 26.8 | Very low | 26.5 | Very low | 118 Ų | 118 | 135.6 Ų | 135.6 | 72% | 0.724 | 71% | 0.71 | S | S | * | * | cis | -149.7 | 163 | -9.7 | -2.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 567 | T | 23 | Very low | 26.4 | Very low | 112 Ų | 112 | 134.9 Ų | 134.9 | 69% | 0.687 | 72% | 0.716 | S | S | * | * | trans | -42.9 | 165.5 | 163.4 | 47.6 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 568 | T | 25.1 | Very low | 26.3 | Very low | 128 Ų | 128 | 137 Ų | 137 | 79% | 0.785 | 72% | 0.722 | S | S | * | * | trans | 71.6 | 150.8 | 172.5 | 68.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 569 | T | 25.9 | Very low | 26.1 | Very low | 109 Ų | 109 | 134.9 Ų | 134.9 | 67% | 0.669 | 72% | 0.722 | S | S | * | * | cis | -153.5 | 137.1 | 11.6 | -17 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 570 | T | 25.5 | Very low | 26.2 | Very low | 112 Ų | 112 | 132.8 Ų | 132.8 | 69% | 0.687 | 72% | 0.72 | S | S | * | * | trans | 52.1 | 154.3 | 139.1 | 54.9 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 571 | M | 26.8 | Very low | 26 | Very low | 163 Ų | 163 | 134.5 Ų | 134.5 | 80% | 0.803 | 74% | 0.737 | S | S | * | * | trans | 83.2 | 90.9 | 157.5 | -57.2 | -39.9 | 174.8 | 0 | 0 | 119.8 | ||||
| 572 | D | 22.9 | Very low | 26.2 | Very low | 146 Ų | 146 | 136.1 Ų | 136.1 | 78% | 0.781 | 74% | 0.739 | S | S | * | * | -22.7 | 168.8 | 117.2 | -65.3 | -68.4 | 0 | 0 | 0 | 117.4 | |||||
| 573 | P | 31.7 | Very low | 26.3 | Very low | 107 Ų | 107 | 134 Ų | 134 | 70% | 0.695 | 74% | 0.736 | S | S | * | * | cis | -132.4 | -117.9 | -31.5 | 34.7 | -14.1 | 0 | 0 | 0 | 109.9 | ||||
| 574 | I | 24.9 | Very low | 26.4 | Very low | 146 Ų | 146 | 134.7 Ų | 134.7 | 75% | 0.749 | 73% | 0.734 | S | S | * | * | trans | 71.8 | 110.2 | 171 | -61.8 | 155.5 | 0 | 0 | 0 | 114.3 | ||||
| 575 | H | 25.6 | Very low | 26.4 | Very low | 152 Ų | 152 | 133 Ų | 133 | 70% | 0.704 | 74% | 0.736 | S | S | * | * | 74 | 124.9 | 65.3 | -99.4 | -71.4 | 0 | 0 | 0 | 116.9 | |||||
| 576 | N | 24.3 | Very low | 26.4 | Very low | 128 Ų | 128 | 130.1 Ų | 130.1 | 68% | 0.684 | 73% | 0.728 | S | S | * | * | trans | 71.2 | 169.8 | 147.5 | -61.2 | -14.1 | 0 | 0 | 0 | 120 | ||||
| 577 | I | 25.7 | Very low | 26.4 | Very low | 147 Ų | 147 | 131.7 Ų | 131.7 | 75% | 0.754 | 73% | 0.731 | S | S | * | * | trans | 73.1 | 119.4 | 162 | -61.9 | 134 | 0 | 0 | 0 | 116.2 | ||||
| 578 | H | 27.3 | Very low | 26.5 | Very low | 161 Ų | 161 | 130.9 Ų | 130.9 | 75% | 0.745 | 73% | 0.73 | S | S | * | * | cis | -153.5 | 155.5 | -18.6 | -121.9 | -54.7 | 0 | 0 | 0 | 113.8 | ||||
| 579 | S | 24.3 | Very low | 26.5 | Very low | 94 Ų | 94 | 129.9 Ų | 129.9 | 66% | 0.657 | 73% | 0.728 | S | S | * | * | trans | -22.5 | 139.5 | 158.6 | -41.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 580 | S | 28.5 | Very low | 26.4 | Very low | 107 Ų | 107 | 129.3 Ų | 129.3 | 75% | 0.748 | 73% | 0.729 | S | S | * | * | -149.9 | 111 | 117.5 | 59.6 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 581 | T | 24.2 | Very low | 26.3 | Very low | 119 Ų | 119 | 128.3 Ų | 128.3 | 73% | 0.73 | 73% | 0.727 | S | S | * | * | 57.9 | 112 | 91.2 | -41.8 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 582 | I | 30.8 | Very low | 26.2 | Very low | 153 Ų | 153 | 126 Ų | 126 | 79% | 0.785 | 73% | 0.727 | S | S | * | * | -144.6 | 151.3 | 67.1 | -75.3 | 164.1 | 0 | 0 | 0 | 113.5 | |||||
| 583 | K | 27.4 | Very low | 26.4 | Very low | 184 Ų | 184 | 124 Ų | 124 | 80% | 0.8 | 72% | 0.724 | S | S | * | * | trans | -21.9 | 144.9 | 165.5 | -42.2 | 171 | -178.8 | 175.6 | 0 | 116.7 | ||||
| 584 | L | 29.3 | Very low | 26.2 | Very low | 148 Ų | 148 | 123.4 Ų | 123.4 | 78% | 0.775 | 72% | 0.722 | S | S | * | * | cis | 58.7 | 141.6 | 47.7 | -75.1 | 167.8 | 0 | 0 | 0 | 113.3 | ||||
| 585 | P | 28.1 | Very low | 26.4 | Very low | 111 Ų | 111 | 121.1 Ų | 121.1 | 72% | 0.721 | 72% | 0.719 | S | S | * | * | cis | -126.7 | 172.6 | 46.5 | 38.1 | -22.1 | 0 | 0 | 0 | 114.8 | ||||
| 586 | S | 25.8 | Very low | 26.7 | Very low | 87 Ų | 87 | 119.9 Ų | 119.9 | 61% | 0.608 | 72% | 0.723 | S | S | * | * | cis | 80.7 | 94.3 | 11.7 | 78.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 587 | L | 28.2 | Very low | 27.3 | Very low | 151 Ų | 151 | 119 Ų | 119 | 79% | 0.791 | 72% | 0.724 | S | S | * | * | trans | -160.9 | 138.8 | 150.9 | -87.6 | 128.4 | 0 | 0 | 0 | 106.3 | ||||
| 588 | S | 24.6 | Very low | 27.4 | Very low | 95 Ų | 95 | 115.5 Ų | 115.5 | 66% | 0.664 | 72% | 0.717 | S | S | * | * | cis | 76.1 | 128.4 | 16.6 | 85.2 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 589 | S | 23.9 | Very low | 27.6 | Very low | 107 Ų | 107 | 115 Ų | 115 | 75% | 0.748 | 72% | 0.715 | S | S | * | * | trans | 64.4 | 155.2 | -177.6 | 73.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 590 | S | 23.8 | Very low | 27.8 | Very low | 97 Ų | 97 | 118.5 Ų | 118.5 | 68% | 0.678 | 72% | 0.721 | S | S | * | * | cis | -167.4 | 172.1 | -26.2 | 51.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 591 | S | 24.1 | Very low | 28 | Very low | 92 Ų | 92 | 117.3 Ų | 117.3 | 64% | 0.643 | 72% | 0.718 | S | S | * | * | trans | 53.9 | 130.7 | 147.3 | 55.2 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 592 | S | 25 | Very low | 28.1 | Very low | 115 Ų | 115 | 116.6 Ų | 116.6 | 80% | 0.804 | 72% | 0.717 | S | S | * | * | trans | 61.9 | 145.1 | 153.7 | 44.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 593 | S | 26.8 | Very low | 28.3 | Very low | 102 Ų | 102 | 113.5 Ų | 113.5 | 71% | 0.713 | 72% | 0.715 | S | S | * | * | cis | -162.6 | -167.8 | -12.6 | 50.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 594 | S | 27.7 | Very low | 28.3 | Very low | 95 Ų | 95 | 109.6 Ų | 109.6 | 66% | 0.664 | 71% | 0.711 | S | S | * | * | trans | 13 | 132.5 | 146.7 | 57.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 595 | S | 28.4 | Very low | 28.4 | Very low | 98 Ų | 98 | 108 Ų | 108 | 69% | 0.685 | 71% | 0.712 | S | S | * | * | cis | -172 | 142.5 | 17.9 | 27.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 596 | T | 33.3 | Very low | 28.3 | Very low | 127 Ų | 127 | 107.6 Ų | 107.6 | 78% | 0.779 | 71% | 0.712 | S | S | * | * | 11.6 | 154.2 | 129.6 | 57.3 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 597 | P | 35.7 | Very low | 28.4 | Very low | 109 Ų | 109 | 108 Ų | 108 | 71% | 0.708 | 71% | 0.714 | S | S | * | * | cis | -135.3 | -177.5 | 23.5 | 43.6 | -27.2 | 0 | 0 | 0 | 116.4 | ||||
| 598 | A | 29 | Very low | 28.3 | Very low | 74 Ų | 74 | 105.2 Ų | 105.2 | 61% | 0.612 | 71% | 0.708 | S | S | * | * | trans | 77 | 140.6 | 133.9 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 599 | E | 30.3 | Very low | 28.3 | Very low | 149 Ų | 149 | 105.3 Ų | 105.3 | 70% | 0.696 | 71% | 0.709 | S | S | * | * | cis | -148 | 130.5 | -21 | -119.2 | 126.7 | -130.6 | 0 | 0 | 105.2 | ||||
| 600 | E | 28.3 | Very low | 28.3 | Very low | 168 Ų | 168 | 105 Ų | 105 | 79% | 0.785 | 71% | 0.707 | S | S | * | * | 65.6 | 149.4 | 94.9 | -66 | -167.5 | -177.4 | 0 | 0 | 114.4 | |||||
| 601 | A | 32.5 | Very low | 28.2 | Very low | 83 Ų | 83 | 106 Ų | 106 | 69% | 0.686 | 71% | 0.709 | S | S | * | * | cis | -128.4 | 148.9 | -6.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 602 | S | 27.9 | Very low | 28.2 | Very low | 103 Ų | 103 | 109.6 Ų | 109.6 | 72% | 0.72 | 71% | 0.713 | S | S | * | * | cis | 70.7 | 53 | 31.5 | 86.8 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 603 | A | 34 | Very low | 28.3 | Very low | 88 Ų | 88 | 111.2 Ų | 111.2 | 73% | 0.727 | 71% | 0.708 | S | S | * | * | trans | -139.4 | 121.6 | 153.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 604 | S | 28.6 | Very low | 28.4 | Very low | 103 Ų | 103 | 110.7 Ų | 110.7 | 72% | 0.72 | 71% | 0.709 | S | S | * | * | cis | 94.1 | 134.5 | 31.9 | 80.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 605 | S | 29.6 | Very low | 28.4 | Very low | 114 Ų | 114 | 111.6 Ų | 111.6 | 80% | 0.797 | 72% | 0.715 | S | S | * | * | trans | 67.9 | 161.2 | -169 | 101.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 606 | S | 27.2 | Very low | 28.5 | Very low | 103 Ų | 103 | 111 Ų | 111 | 72% | 0.72 | 72% | 0.716 | S | S | * | * | cis | -159.9 | 179 | -13.4 | 31.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 607 | S | 26.8 | Very low | 28.5 | Very low | 94 Ų | 94 | 109.5 Ų | 109.5 | 66% | 0.657 | 72% | 0.717 | S | S | * | * | trans | -45.8 | 175.8 | 173.7 | 54.5 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 608 | S | 26.1 | Very low | 28.5 | Very low | 94 Ų | 94 | 108.5 Ų | 108.5 | 66% | 0.657 | 71% | 0.713 | S | S | * | * | trans | 73.6 | 161.5 | 133.2 | 63.2 | 0 | 0 | 0 | 0 | 121 | ||||
| 609 | S | 24.6 | Very low | 28.9 | Very low | 97 Ų | 97 | 109.9 Ų | 109.9 | 68% | 0.678 | 72% | 0.718 | S | S | * | * | trans | 72.9 | 128.4 | 159 | 76.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 610 | S | 24.7 | Very low | 29.5 | Very low | 101 Ų | 101 | 107.3 Ų | 107.3 | 71% | 0.706 | 72% | 0.716 | S | S | * | * | 41.2 | 120.3 | 81.6 | 83.9 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 611 | T | 22.1 | Very low | 30.3 | Very low | 118 Ų | 118 | 104.3 Ų | 104.3 | 72% | 0.724 | 71% | 0.714 | S | S | * | * | cis | -149.1 | 169.8 | 36.9 | 52.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 612 | K | 23.7 | Very low | 30.2 | Very low | 167 Ų | 167 | 105.3 Ų | 105.3 | 73% | 0.726 | 72% | 0.716 | S | S | * | * | cis | -129.3 | 153.9 | 3 | -142.9 | 142.2 | -172.5 | 177.1 | 0 | 111.9 | A614 | K612-A614 PolarHBondContact O-N 3.27Š| ||
| 613 | E | 27.1 | Very low | 30.6 | Very low | 149 Ų | 149 | 107.1 Ų | 107.1 | 70% | 0.696 | 72% | 0.723 | S | S | * | * | trans | -22.2 | 125.2 | 147.6 | -62.3 | 140.9 | 135.8 | 0 | 0 | 112 | ||||
| 614 | A | 28.3 | Very low | 30.4 | Very low | 90 Ų | 90 | 108.7 Ų | 108.7 | 74% | 0.744 | 73% | 0.725 | S | S | * | * | 72 | -152.8 | 116.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | K612 | K612-A614 PolarHBondContact O-N 3.27Š| |||
| 615 | S | 28.2 | Very low | 30.5 | Very low | 114 Ų | 114 | 108.4 Ų | 108.4 | 80% | 0.797 | 73% | 0.73 | S | S | * | * | cis | -88.7 | 133.5 | -9 | -75.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 616 | A | 29.9 | Very low | 30.5 | Very low | 85 Ų | 85 | 112.6 Ų | 112.6 | 70% | 0.702 | 73% | 0.733 | S | S | * | * | 29.9 | 140.9 | 123.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 617 | A | 34.4 | Very low | 30.5 | Very low | 97 Ų | 97 | 116.5 Ų | 116.5 | 80% | 0.802 | 74% | 0.74 | S | S | * | * | cis | -154.7 | 154.7 | 48.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 618 | S | 34 | Very low | 30.5 | Very low | 87 Ų | 87 | 116.4 Ų | 116.4 | 61% | 0.608 | 75% | 0.745 | S | S | * | * | cis | -174.9 | 144.6 | -23.4 | 51.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 619 | S | 38.9 | Very low | 30.7 | Very low | 103 Ų | 103 | 116.1 Ų | 116.1 | 72% | 0.72 | 75% | 0.749 | S | S | * | * | trans | 57.7 | -176.4 | 141.5 | 72 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 620 | S | 43.2 | Very low | 30.9 | Very low | 95 Ų | 95 | 119 Ų | 119 | 66% | 0.664 | 76% | 0.756 | S | S | * | * | cis | -148 | 168.8 | -0.9 | -15 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 621 | S | 44.3 | Very low | 31 | Very low | 105 Ų | 105 | 119.2 Ų | 119.2 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | trans | 68.4 | 138.7 | 169 | 75 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 622 | S | 31.3 | Very low | 31.3 | Very low | 105 Ų | 105 | 118 Ų | 118 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | cis | 79.9 | 100.8 | 15.6 | 90.9 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 623 | T | 34.8 | Very low | 31.7 | Very low | 141 Ų | 141 | 116 Ų | 116 | 87% | 0.865 | 76% | 0.755 | S | S | * | * | trans | -173.5 | 158 | 140.3 | 15.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 624 | P | 29.6 | Very low | 31.8 | Very low | 120 Ų | 120 | 113.3 Ų | 113.3 | 78% | 0.779 | 75% | 0.753 | S | S | * | * | trans | -101.3 | -175.4 | 173.7 | 40.2 | -34.1 | 0 | 0 | 0 | 112.7 | ||||
| 625 | A | 32.4 | Very low | 31.8 | Very low | 98 Ų | 98 | 115.4 Ų | 115.4 | 81% | 0.81 | 75% | 0.75 | S | S | * | * | trans | 96 | 166.5 | 159.9 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 626 | K | 29.8 | Very low | 31.8 | Very low | 201 Ų | 201 | 117 Ų | 117 | 87% | 0.874 | 75% | 0.745 | S | S | * | * | trans | -56.4 | 156.5 | -170.4 | -48.8 | 163 | 179.6 | 174.7 | 0 | 112.1 | ||||
| 627 | E | 26.8 | Very low | 31.8 | Very low | 185 Ų | 185 | 121.2 Ų | 121.2 | 86% | 0.864 | 75% | 0.747 | S | S | * | * | cis | -140.5 | 160.3 | 22.7 | -71.3 | -178.6 | 151.1 | 0 | 0 | 110.3 | ||||
| 628 | A | 27.2 | Very low | 31.5 | Very low | 92 Ų | 92 | 120.7 Ų | 120.7 | 76% | 0.76 | 74% | 0.743 | S | S | * | * | cis | -149.6 | 169 | -4.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 629 | A | 29.4 | Very low | 31.3 | Very low | 89 Ų | 89 | 121.5 Ų | 121.5 | 74% | 0.736 | 75% | 0.749 | S | S | * | * | trans | 52.3 | 91.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 630 | L | 29.2 | Very low | 30.8 | Very low | 158 Ų | 158 | 122.2 Ų | 122.2 | 83% | 0.827 | 75% | 0.754 | S | S | * | * | 80.3 | 109.9 | 84.8 | -86.5 | 166.3 | 0 | 0 | 0 | 116.1 | |||||
| 631 | S | 26.9 | Very low | 30 | Very low | 104 Ų | 104 | 122.4 Ų | 122.4 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | trans | 63.6 | 148.7 | 136 | 68.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 632 | S | 28.7 | Very low | 29.2 | Very low | 92 Ų | 92 | 122.2 Ų | 122.2 | 64% | 0.643 | 75% | 0.754 | S | S | * | * | cis | 178.8 | -171.4 | -22 | 55.3 | 0 | 0 | 0 | 0 | 107 | ||||
| 633 | T | 31.6 | Very low | 29.1 | Very low | 126 Ų | 126 | 122.1 Ų | 122.1 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | trans | 67.6 | 149.1 | 168 | 68.3 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 634 | S | 28.3 | Very low | 28.6 | Very low | 92 Ų | 92 | 120.4 Ų | 120.4 | 64% | 0.643 | 75% | 0.747 | S | S | * | * | cis | -159.8 | 130.8 | -19.4 | -97.8 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 635 | I | 29.1 | Very low | 28.5 | Very low | 135 Ų | 135 | 119.8 Ų | 119.8 | 69% | 0.692 | 75% | 0.746 | S | S | * | * | 91.2 | 141.2 | 63.7 | -76.2 | 171.6 | 0 | 0 | 0 | 112.7 | |||||
| 636 | E | 28.6 | Very low | 28 | Very low | 147 Ų | 147 | 121.4 Ų | 121.4 | 69% | 0.687 | 75% | 0.745 | S | S | * | * | trans | 79.9 | 142.1 | 161.1 | -80.7 | 161.3 | 174.4 | 0 | 0 | 122.2 | ||||
| 637 | K | 28.8 | Very low | 27.7 | Very low | 173 Ų | 173 | 119.3 Ų | 119.3 | 75% | 0.752 | 74% | 0.743 | S | S | * | * | cis | -168.5 | -176.3 | -24.2 | -126.7 | -179 | -143.9 | 149.8 | 0 | 112.5 | ||||
| 638 | A | 29.6 | Very low | 27.5 | Very low | 86 Ų | 86 | 115.7 Ų | 115.7 | 71% | 0.711 | 74% | 0.738 | S | S | * | * | trans | 76.6 | 116.4 | 161.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 639 | S | 29.2 | Very low | 27.3 | Very low | 105 Ų | 105 | 119.6 Ų | 119.6 | 73% | 0.734 | 74% | 0.74 | S | S | * | * | cis | 90.8 | 148.7 | 7.6 | 93.5 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 640 | S | 27.7 | Very low | 27 | Very low | 117 Ų | 117 | 124.1 Ų | 124.1 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | trans | 75.7 | 147 | -179.3 | 73.6 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 641 | S | 27.3 | Very low | 26.7 | Very low | 100 Ų | 100 | 123.8 Ų | 123.8 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | cis | -169.9 | 174.8 | -18.1 | 51.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 642 | S | 27 | Very low | 26.6 | Very low | 100 Ų | 100 | 125.4 Ų | 125.4 | 70% | 0.699 | 75% | 0.749 | S | S | * | * | trans | 73.1 | 147 | 144.4 | 46.8 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 643 | S | 28.6 | Very low | 26.3 | Very low | 103 Ų | 103 | 130.7 Ų | 130.7 | 72% | 0.72 | 76% | 0.756 | S | S | * | * | trans | 62.3 | 134.6 | 166.3 | 43.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 644 | S | 25.6 | Very low | 25.9 | Very low | 106 Ų | 106 | 135.1 Ų | 135.1 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | cis | 97.6 | 148.4 | 22.8 | 81.3 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 645 | S | 26.1 | Very low | 25.7 | Very low | 107 Ų | 107 | 140.3 Ų | 140.3 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | trans | 65 | 129.3 | -161.7 | 67 | 0 | 0 | 0 | 0 | 114 | ||||
| 646 | T | 22.7 | Very low | 25.5 | Very low | 131 Ų | 131 | 139.6 Ų | 139.6 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | cis | 87.9 | 142 | 41.7 | 64.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 647 | L | 23 | Very low | 25.2 | Very low | 158 Ų | 158 | 139.8 Ų | 139.8 | 83% | 0.827 | 78% | 0.777 | S | S | * | * | trans | 73.3 | 109 | 175.2 | -95.1 | 72.9 | 0 | 0 | 0 | 121.6 | ||||
| 648 | S | 22 | Very low | 25 | Very low | 108 Ų | 108 | 136.9 Ų | 136.9 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | 86.6 | 163 | 121.1 | 82.6 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 649 | H | 24.1 | Very low | 24.7 | Very low | 174 Ų | 174 | 137 Ų | 137 | 81% | 0.806 | 77% | 0.771 | S | S | * | * | trans | -60 | 139.9 | -178.4 | -56.6 | -104 | 0 | 0 | 0 | 114.8 | ||||
| 650 | K | 22.8 | Very low | 24.6 | Very low | 185 Ų | 185 | 142 Ų | 142 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | 176.5 | 124.5 | 109.8 | -94.4 | 154.6 | -175.1 | 170.3 | 0 | 112.3 | N652 | K650-N652 PolarHBondContact O-N 3.3Š| |||
| 651 | T | 23 | Very low | 24.5 | Very low | 150 Ų | 150 | 142.8 Ų | 142.8 | 92% | 0.92 | 77% | 0.769 | S | S | * | * | trans | -69.6 | 118.7 | 164.4 | 34.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 652 | N | 23.8 | Very low | 24.4 | Very low | 139 Ų | 139 | 144.7 Ų | 144.7 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | trans | -144.4 | 160.4 | -172.3 | -135 | -19.1 | 0 | 0 | 0 | 115.6 | K650 | K650-N652 PolarHBondContact O-N 3.3Š| ||
| 653 | Y | 23.1 | Very low | 24.4 | Very low | 203 Ų | 203 | 144.9 Ų | 144.9 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | trans | -76.3 | 159.9 | -167.2 | -84 | -106.5 | 0 | 0 | 0 | 115.8 | ||||
| 654 | R | 22.9 | Very low | 24.3 | Very low | 219 Ų | 219 | 146.7 Ų | 146.7 | 83% | 0.826 | 77% | 0.765 | S | S | * | * | trans | 52.4 | 114.9 | 145.9 | -76.4 | 175.7 | 168 | 178.3 | -3.5 | 120 | ||||
| 655 | K | 24.3 | Very low | 24.5 | Very low | 201 Ų | 201 | 144.3 Ų | 144.3 | 87% | 0.874 | 74% | 0.744 | S | S | * | * | -163.3 | 118.3 | 123.2 | -100.9 | 162.2 | -177.1 | 179.4 | 0 | 105.4 | |||||
| 656 | V | 24.8 | Very low | 24.6 | Very low | 120 Ų | 120 | 143.1 Ų | 143.1 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | 47.6 | 96.6 | 54.8 | -171.3 | 0 | 0 | 0 | 0 | 111 | |||||
| 657 | N | 23.1 | Very low | 25.1 | Very low | 150 Ų | 150 | 140.8 Ų | 140.8 | 80% | 0.802 | 72% | 0.716 | S | S | * | * | trans | -136.6 | 113.6 | 160.1 | -154.1 | 5.8 | 0 | 0 | 0 | 107.8 | ||||
| 658 | P | 24.8 | Very low | 25.6 | Very low | 112 Ų | 112 | 143.3 Ų | 143.3 | 73% | 0.727 | 72% | 0.715 | S | S | * | * | trans | -96.4 | 112.8 | -170 | 34.3 | -31 | 0 | 0 | 0 | 112.4 | ||||
| 659 | S | 23.9 | Very low | 26.2 | Very low | 89 Ų | 89 | 143.8 Ų | 143.8 | 62% | 0.622 | 71% | 0.708 | S | S | * | * | trans | -154.8 | 144.6 | 174.4 | 58.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 660 | Y | 25.7 | Very low | 26.9 | Very low | 209 Ų | 209 | 137.5 Ų | 137.5 | 82% | 0.82 | 68% | 0.679 | S | S | * | * | S | Bend | trans | 63 | 71.4 | -171.8 | -63.7 | -79.6 | 0 | 0 | 0 | 113.5 | ||
| 661 | I | 26.6 | Very low | 27.7 | Very low | 135 Ų | 135 | 135 Ų | 135 | 69% | 0.692 | 67% | 0.668 | S | S | * | * | 80.7 | 114.5 | 60 | -60.3 | 161 | 0 | 0 | 0 | 112.1 | |||||
| 662 | I | 24.8 | Very low | 28.3 | Very low | 140 Ų | 140 | 135 Ų | 135 | 72% | 0.718 | 66% | 0.657 | S | S | * | * | trans | 48.8 | 98.3 | 161.2 | -55.3 | 162 | 0 | 0 | 0 | 116.2 | ||||
| 663 | D | 27.3 | Very low | 29 | Very low | 104 Ų | 104 | 132.1 Ų | 132.1 | 56% | 0.556 | 64% | 0.642 | S | S | * | * | -149.5 | 131.5 | 119.5 | -112.1 | -18.8 | 0 | 0 | 0 | 109.1 | D665 T806 I807 | D663-D665 PolarHBondContact O-N 3.17Å; D663-D665 VanDerWaalsContact O-N 3.1Å; D663-T806 HydrophobicContact CB-CG2 4.12Å; D663-I807 HydrophobicContact CB-CD1 3.83Å; D663-I807 WeakPolarHBondContact OD1-CD1 3.31Å | |||
| 664 | N | 25.6 | Very low | 30.3 | Very low | 141 Ų | 141 | 126.6 Ų | 126.6 | 75% | 0.754 | 62% | 0.623 | S | S | * | * | trans | -83.4 | 86.9 | -170.8 | -75.7 | -25.1 | 0 | 0 | 0 | 111.5 | P666 | N664-P666 WeakPolarHBondContact O-CD 3.26Š| ||
| 665 | D | 29.8 | Very low | 31.7 | Very low | 55 Ų | 55 | 121.4 Ų | 121.4 | 29% | 0.294 | 61% | 0.611 | S | S | . | * | trans | -94.9 | 110.9 | 176.6 | -168.5 | -12.6 | 0 | 0 | 0 | 112 | D663 N667 | D663-D665 PolarHBondContact O-N 3.17Å; D663-D665 VanDerWaalsContact O-N 3.1Å; D665-N667 PolarHBondContact O-N 2.88Å; D665-N667 VanDerWaalsContact O-N 3.13Å; D665-N667 VanDerWaalsContact OD1-CB 3.28Å; D665-N667 WeakPolarHBondContact OD1-CB 3.36Å; D665-N667 PolarHBondContact OD1-N 3.13Å; D665-N667 VanDerWaalsContact OD1-N 3.07Å; D665-N667 PolarHBondContact OD1-ND2 3.46Å | ||
| 666 | P | 29 | Very low | 33.1 | Very low | 83 Ų | 83 | 115.1 Ų | 115.1 | 54% | 0.539 | 59% | 0.586 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66 | -11.6 | -179.9 | 27.4 | -34.9 | 0 | 0 | 0 | 114 | N664 R668 | N664-P666 WeakPolarHBondContact O-CD 3.26Å; P666-R668 PolarHBondContact O-N 3.47Å |
| 667 | N | 33.3 | Very low | 34.8 | Very low | 82 Ų | 82 | 113.4 Ų | 113.4 | 44% | 0.439 | 57% | 0.572 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.8 | -3.2 | 177.7 | -73.6 | -78.2 | 0 | 0 | 0 | 114.8 | D665 I669 H670 K671 | D665-N667 PolarHBondContact O-N 2.88Å; D665-N667 VanDerWaalsContact O-N 3.13Å; D665-N667 VanDerWaalsContact OD1-CB 3.28Å; D665-N667 WeakPolarHBondContact OD1-CB 3.36Å; D665-N667 PolarHBondContact OD1-N 3.13Å; D665-N667 VanDerWaalsContact OD1-N 3.07Å; D665-N667 PolarHBondContact OD1-ND2 3.46Å; N667-I669 PolarHBondContact O-N 2.8Å; N667-H670 PolarHBondContact O-N 2.91Å; N667-K671 PolarHBondContact O-N 2.88Å |
| 668 | R | 33 | Very low | 37.1 | Very low | 210 Ų | 210 | 107 Ų | 107 | 79% | 0.792 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -68.3 | -32.1 | -178.5 | -158.9 | 174.8 | -172.3 | -174.1 | 2.5 | 113.7 | P666 K671 | P666-R668 PolarHBondContact O-N 3.47Å; R668-K671 PolarHBondContact O-N 3.46Å |
| 669 | I | 34 | Very low | 39.2 | Very low | 118 Ų | 118 | 102.3 Ų | 102.3 | 61% | 0.605 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.5 | -47.9 | 175.5 | -62.7 | 175.7 | 0 | 0 | 0 | 109.8 | N667 K671 Q672 | N667-I669 PolarHBondContact O-N 2.8Å; I669-K671 PolarHBondContact O-N 2.83Å; I669-Q672 PolarHBondContact O-N 3.43Å |
| 670 | H | 40.1 | Very low | 41.3 | Very low | 43 Ų | 43 | 99.5 Ų | 99.5 | 20% | 0.199 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -58.9 | -21.3 | 177.4 | -72.1 | -32.5 | 0 | 0 | 0 | 114.7 | Y556 Q560 N667 Q672 D673 Q674 | Y556-H670 AromaticContact CE1-CE1 3.82Å; Q560-H670 PolarHBondContact NE2-NE2 2.94Å; N667-H670 PolarHBondContact O-N 2.91Å; H670-Q672 VanDerWaalsContact C-N 3.34Å; H670-D673 IonicContact ND1-OD2 3.84Å; H670-Q674 VanDerWaalsContact O-CB 3.26Å; H670-Q674 WeakPolarHBondContact O-CB 3.34Å; H670-Q674 VanDerWaalsContact O-CD 3.3Å; H670-Q674 WeakPolarHBondContact O-CG 3.46Å; H670-Q674 PolarHBondContact O-N 2.98Å |
| 671 | K | 39.4 | Very low | 43.7 | Very low | 133 Ų | 133 | 93 Ų | 93 | 58% | 0.578 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -70 | -28.7 | 173.6 | -89.6 | -175.7 | 173.4 | 176.2 | 0 | 113.4 | N667 R668 I669 I675 | N667-K671 PolarHBondContact O-N 2.88Å; R668-K671 PolarHBondContact O-N 3.46Å; I669-K671 PolarHBondContact O-N 2.83Å; K671-I675 WeakPolarHBondContact O-CD1 3.45Å; K671-I675 WeakPolarHBondContact O-CG1 3.41Å; K671-I675 PolarHBondContact O-N 3.41Å |
| 672 | Q | 35.2 | Very low | 46.3 | Very low | 150 Ų | 150 | 86.6 Ų | 86.6 | 70% | 0.701 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -77.3 | -41 | 178.3 | -129.7 | 157.9 | -43.9 | 0 | 0 | 110.7 | I669 H670 Q674 I675 | I669-Q672 PolarHBondContact O-N 3.43Å; H670-Q672 VanDerWaalsContact C-N 3.34Å; Q672-Q674 VanDerWaalsContact C-N 3.35Å; Q672-Q674 PolarHBondContact O-N 3.46Å; Q672-I675 PolarHBondContact O-N 3.04Å |
| 673 | D | 38.1 | Very low | 49 | Very low | 77 Ų | 77 | 81 Ų | 81 | 41% | 0.412 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.4 | -40.1 | 170.9 | -55.7 | -39.3 | 0 | 0 | 0 | 112.1 | H670 I675 I676 L677 | H670-D673 IonicContact ND1-OD2 3.84Å; D673-I675 VanDerWaalsContact C-N 3.33Å; D673-I675 PolarHBondContact O-N 3.03Å; D673-I676 PolarHBondContact O-N 2.87Å; D673-L677 PolarHBondContact O-N 2.92Å |
| 674 | Q | 51 | Low | 51.3 | Low | 88 Ų | 88 | 79.1 Ų | 79.1 | 41% | 0.411 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59.3 | -40.6 | 176.9 | -81.2 | 164.8 | 16.8 | 0 | 0 | 112.2 | H670 Q672 I676 L677 D678 | H670-Q674 VanDerWaalsContact O-CB 3.26Å; H670-Q674 WeakPolarHBondContact O-CB 3.34Å; H670-Q674 VanDerWaalsContact O-CD 3.3Å; H670-Q674 WeakPolarHBondContact O-CG 3.46Å; H670-Q674 PolarHBondContact O-N 2.98Å; Q672-Q674 VanDerWaalsContact C-N 3.35Å; Q672-Q674 PolarHBondContact O-N 3.46Å; Q674-I676 PolarHBondContact O-N 3.44Å; Q674-L677 PolarHBondContact O-N 2.88Å; Q674-D678 WeakPolarHBondContact O-CB 3.46Å; Q674-D678 PolarHBondContact O-N 3.21Å |
| 675 | I | 51.9 | Low | 54 | Low | 109 Ų | 109 | 74.5 Ų | 74.5 | 56% | 0.559 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -59.9 | -31.1 | 179.1 | -70.3 | 162.2 | 0 | 0 | 0 | 111.9 | K671 Q672 D673 P679 | K671-I675 WeakPolarHBondContact O-CD1 3.45Å; K671-I675 WeakPolarHBondContact O-CG1 3.41Å; K671-I675 PolarHBondContact O-N 3.41Å; Q672-I675 PolarHBondContact O-N 3.04Å; D673-I675 VanDerWaalsContact C-N 3.33Å; D673-I675 PolarHBondContact O-N 3.03Å; I675-P679 VanDerWaalsContact O-CD 3.24Å; I675-P679 WeakPolarHBondContact O-CD 3.35Å |
| 676 | I | 52.9 | Low | 56.5 | Low | 69 Ų | 69 | 71.9 Ų | 71.9 | 35% | 0.354 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -86 | -44.7 | 178 | -60 | 175.7 | 0 | 0 | 0 | 111.3 | T524 D673 Q674 D678 I680 | T524-I676 HydrophobicContact CG2-CG2 3.71Å; D673-I676 PolarHBondContact O-N 2.87Å; Q674-I676 PolarHBondContact O-N 3.44Å; I676-D678 VanDerWaalsContact C-N 3.33Å; I676-D678 PolarHBondContact O-N 3.23Å; I676-I680 WeakPolarHBondContact O-CD1 3.49Å |
| 677 | L | 62.1 | Low | 58.8 | Low | 84 Ų | 84 | 68.1 Ų | 68.1 | 44% | 0.44 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -71.8 | -23.9 | -179.1 | -96.3 | 74.5 | 0 | 0 | 0 | 113.7 | D673 Q674 I680 K681 | D673-L677 PolarHBondContact O-N 2.92Å; Q674-L677 PolarHBondContact O-N 2.88Å; L677-I680 PolarHBondContact O-N 3.12Å; L677-K681 VanDerWaalsContact O-CG 3.28Å; L677-K681 WeakPolarHBondContact O-CG 3.25Å; L677-K681 PolarHBondContact O-N 3.01Å |
| 678 | D | 69.6 | Low | 61 | Low | 15 Ų | 15 | 67.7 Ų | 67.7 | 8% | 0.08 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -74.2 | -42.1 | -169.1 | -74 | 2.7 | 0 | 0 | 0 | 114 | I476 R480 Q674 I676 I680 K681 I682 | I476-D678 HydrophobicContact CD1-CB 3.69Å; I476-D678 HydrophobicContact CG1-CB 4.31Å; R480-D678 IonicContact CZ-OD1 2.96Å; R480-D678 IonicContact CZ-OD2 3.74Å; R480-D678 IonicContact NH1-OD2 3.71Å; R480-D678 PolarHBondContact NH1-OD2 2.93Å; R480-D678 IonicContact NH2-OD1 3.23Å; R480-D678 PolarHBondContact NH2-OD1 2.91Å; R480-D678 IonicContact NH2-OD2 2.84Å; R480-D678 PolarHBondContact NH2-OD2 3.39Å; Q674-D678 WeakPolarHBondContact O-CB 3.46Å; Q674-D678 PolarHBondContact O-N 3.21Å; I676-D678 VanDerWaalsContact C-N 3.33Å; I676-D678 PolarHBondContact O-N 3.23Å; D678-I680 VanDerWaalsContact C-N 3.28Å; D678-I680 PolarHBondContact O-N 2.63Å; D678-K681 WeakPolarHBondContact O-CB 3.36Å; D678-K681 PolarHBondContact O-N 2.73Å; D678-K681 WeakPolarHBondContact OD1-CD 3.35Å; D678-K681 IonicContact OD1-NZ 3.67Å; D678-K681 PolarHBondContact OD1-NZ 3.21Å; D678-I682 PolarHBondContact O-N 3.48Å |
| 679 | P | 69.1 | Low | 63.4 | Low | 14 Ų | 14 | 57.8 Ų | 57.8 | 9% | 0.091 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.7 | -36.8 | 168.9 | -24.6 | 35.8 | 0 | 0 | 0 | 112.4 | W473 I476 I675 K681 I682 L683 | W473-P679 HydrophobicContact CD2-CB 4.31Å; W473-P679 HydrophobicContact CD2-CG 3.64Å; W473-P679 VanDerWaalsContact CE2-CG 3.45Å; W473-P679 HydrophobicContact CE3-CB 4.42Å; W473-P679 HydrophobicContact CE3-CG 4.15Å; W473-P679 HydrophobicContact CG-CG 3.96Å; W473-P679 HydrophobicContact CH2-CB 4.01Å; W473-P679 HydrophobicContact CH2-CG 4.34Å; W473-P679 HydrophobicContact CZ2-CB 3.85Å; W473-P679 HydrophobicContact CZ2-CG 3.84Å; W473-P679 HydrophobicContact CZ3-CB 4.28Å; W473-P679 HydrophobicContact CZ3-CG 4.48Å; I476-P679 HydrophobicContact CD1-CG 4.29Å; I675-P679 VanDerWaalsContact O-CD 3.24Å; I675-P679 WeakPolarHBondContact O-CD 3.35Å; P679-K681 VanDerWaalsContact C-N 3.34Å; P679-K681 PolarHBondContact O-N 3.22Å; P679-I682 WeakPolarHBondContact O-CB 3.44Å; P679-I682 PolarHBondContact O-N 3.07Å; P679-I682 VanDerWaalsContact O-N 3.12Å; P679-L683 PolarHBondContact O-N 2.94Å |
| 680 | I | 68.5 | Low | 65.7 | Low | 31 Ų | 31 | 52.2 Ų | 52.2 | 16% | 0.159 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.7 | -40.6 | 175.1 | -62.9 | 165.6 | 0 | 0 | 0 | 110.4 | M532 I676 L677 D678 I682 L683 I684 | M532-I680 HydrophobicContact CE-CD1 4.17Å; M532-I680 HydrophobicContact CE-CG1 4.31Å; M532-I680 HydrophobicContact CE-CG2 3.66Å; M532-I680 HydrophobicContact SD-CD1 3.77Å; I676-I680 WeakPolarHBondContact O-CD1 3.49Å; L677-I680 PolarHBondContact O-N 3.12Å; D678-I680 VanDerWaalsContact C-N 3.28Å; D678-I680 PolarHBondContact O-N 2.63Å; I680-I682 VanDerWaalsContact C-N 3.31Å; I680-I682 PolarHBondContact O-N 2.9Å; I680-L683 PolarHBondContact O-N 3.02Å; I680-I684 HydrophobicContact CG2-CD1 3.79Å; I680-I684 HydrophobicContact CG2-CG1 4.39Å; I680-I684 WeakPolarHBondContact O-CB 3.27Å; I680-I684 VanDerWaalsContact O-CG1 3.28Å; I680-I684 WeakPolarHBondContact O-CG1 3.22Å; I680-I684 PolarHBondContact O-N 3.13Å |
| 681 | K | 76.2 | Confident | 67.3 | Low | 73 Ų | 73 | 56.4 Ų | 56.4 | 32% | 0.317 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.4 | -33.1 | 172.9 | -68.6 | 160.1 | -165.7 | 155.9 | 0 | 112.4 | L677 D678 P679 Q685 | L677-K681 VanDerWaalsContact O-CG 3.28Å; L677-K681 WeakPolarHBondContact O-CG 3.25Å; L677-K681 PolarHBondContact O-N 3.01Å; D678-K681 WeakPolarHBondContact O-CB 3.36Å; D678-K681 PolarHBondContact O-N 2.73Å; D678-K681 WeakPolarHBondContact OD1-CD 3.35Å; D678-K681 IonicContact OD1-NZ 3.67Å; D678-K681 PolarHBondContact OD1-NZ 3.21Å; P679-K681 VanDerWaalsContact C-N 3.34Å; P679-K681 PolarHBondContact O-N 3.22Å; K681-Q685 WeakPolarHBondContact O-CB 3.42Å; K681-Q685 VanDerWaalsContact O-CG 3.23Å; K681-Q685 WeakPolarHBondContact O-CG 3.48Å; K681-Q685 PolarHBondContact O-N 3.04Å |
| 682 | I | 82.4 | Confident | 69.1 | Low | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.6 | -50 | 172.4 | -66.9 | -64.3 | 0 | 0 | 0 | 110.2 | F463 I476 Q479 R480 L483 D678 P679 I680 I684 Q685 T686 | F463-I682 HydrophobicContact CZ-CG2 4.31Å; I476-I682 HydrophobicContact CD1-CG1 3.81Å; I476-I682 HydrophobicContact CG1-CD1 4.06Å; I476-I682 HydrophobicContact CG1-CG1 3.74Å; Q479-I682 HydrophobicContact CB-CD1 3.71Å; R480-I682 HydrophobicContact CG-CD1 3.93Å; L483-I682 HydrophobicContact CD1-CD1 3.85Å; L483-I682 HydrophobicContact CD1-CG2 4.03Å; D678-I682 PolarHBondContact O-N 3.48Å; P679-I682 WeakPolarHBondContact O-CB 3.44Å; P679-I682 PolarHBondContact O-N 3.07Å; P679-I682 VanDerWaalsContact O-N 3.12Å; I680-I682 VanDerWaalsContact C-N 3.31Å; I680-I682 PolarHBondContact O-N 2.9Å; I682-I684 PolarHBondContact O-N 2.83Å; I682-Q685 PolarHBondContact O-N 3.02Å; I682-Q685 VanDerWaalsContact O-N 3.14Å; I682-T686 PolarHBondContact O-N 3Å; I682-T686 PolarHBondContact O-OG1 2.55Å |
| 683 | L | 80.2 | Confident | 71 | Confident | 22 Ų | 22 | 48.9 Ų | 48.9 | 12% | 0.115 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.5 | -48.1 | 176.6 | 178.6 | 60.8 | 0 | 0 | 0 | 111.7 | C512 Y515 P679 I680 Q685 T686 C687 | C512-L683 HydrophobicContact CB-CD1 4.38Å; Y515-L683 HydrophobicContact CD1-CB 4.45Å; Y515-L683 HydrophobicContact CD1-CD2 3.99Å; Y515-L683 HydrophobicContact CD2-CD1 3.85Å; Y515-L683 HydrophobicContact CE1-CB 4.48Å; Y515-L683 HydrophobicContact CE2-CD1 4.48Å; Y515-L683 HydrophobicContact CG-CD1 3.96Å; Y515-L683 HydrophobicContact CG-CD2 3.89Å; Y515-L683 HydrophobicContact CG-CG 4.35Å; P679-L683 PolarHBondContact O-N 2.94Å; I680-L683 PolarHBondContact O-N 3.02Å; L683-Q685 VanDerWaalsContact C-N 3.3Å; L683-Q685 PolarHBondContact O-N 2.97Å; L683-T686 WeakPolarHBondContact O-CB 3.35Å; L683-T686 PolarHBondContact O-N 3.13Å; L683-T686 VanDerWaalsContact O-N 3.13Å; L683-C687 PolarHBondContact O-N 3.32Å; L683-C687 PolarHBondContact O-SG 2.94Å |
| 684 | I | 76.2 | Confident | 72.5 | Confident | 65 Ų | 65 | 46.9 Ų | 46.9 | 33% | 0.333 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -59.2 | -40.6 | 176.5 | -70.5 | 168.6 | 0 | 0 | 0 | 111.2 | I680 I682 C687 I688 | I680-I684 HydrophobicContact CG2-CD1 3.79Å; I680-I684 HydrophobicContact CG2-CG1 4.39Å; I680-I684 WeakPolarHBondContact O-CB 3.27Å; I680-I684 VanDerWaalsContact O-CG1 3.28Å; I680-I684 WeakPolarHBondContact O-CG1 3.22Å; I680-I684 PolarHBondContact O-N 3.13Å; I682-I684 PolarHBondContact O-N 2.83Å; I684-C687 PolarHBondContact O-N 2.94Å; I684-I688 HydrophobicContact CG2-CD1 3.74Å; I684-I688 HydrophobicContact CG2-CG1 4.44Å; I684-I688 WeakPolarHBondContact O-CB 3.37Å; I684-I688 WeakPolarHBondContact O-CD1 3.37Å; I684-I688 WeakPolarHBondContact O-CG1 3.33Å; I684-I688 PolarHBondContact O-N 3.14Å |
| 685 | Q | 81.8 | Confident | 73 | Confident | 44 Ų | 44 | 50.4 Ų | 50.4 | 21% | 0.206 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67 | -38.5 | 175.6 | -75.8 | 174.6 | 36.3 | 0 | 0 | 112.5 | L483 K681 I682 L683 I688 L689 | L483-Q685 HydrophobicContact CD1-CB 3.92Å; K681-Q685 WeakPolarHBondContact O-CB 3.42Å; K681-Q685 VanDerWaalsContact O-CG 3.23Å; K681-Q685 WeakPolarHBondContact O-CG 3.48Å; K681-Q685 PolarHBondContact O-N 3.04Å; I682-Q685 PolarHBondContact O-N 3.02Å; I682-Q685 VanDerWaalsContact O-N 3.14Å; L683-Q685 VanDerWaalsContact C-N 3.3Å; L683-Q685 PolarHBondContact O-N 2.97Å; Q685-I688 PolarHBondContact O-N 2.82Å; Q685-L689 WeakPolarHBondContact O-CB 3.41Å; Q685-L689 PolarHBondContact O-N 2.91Å |
| 686 | T | 82.8 | Confident | 73.1 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.6 | -45.1 | 172.5 | -57.8 | 0 | 0 | 0 | 0 | 111.5 | L508 I511 I682 L683 L689 L690 | L508-T686 HydrophobicContact CB-CG2 4.05Å; L508-T686 HydrophobicContact CD2-CG2 3.9Å; I511-T686 HydrophobicContact CB-CG2 4.38Å; I511-T686 HydrophobicContact CG2-CG2 4.1Å; I682-T686 PolarHBondContact O-N 3Å; I682-T686 PolarHBondContact O-OG1 2.55Å; L683-T686 WeakPolarHBondContact O-CB 3.35Å; L683-T686 PolarHBondContact O-N 3.13Å; L683-T686 VanDerWaalsContact O-N 3.13Å; T686-L689 WeakPolarHBondContact O-CB 3.45Å; T686-L689 PolarHBondContact O-N 3.36Å; T686-L690 PolarHBondContact O-N 3.1Å |
| 687 | C | 78 | Confident | 73 | Confident | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.02 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.1 | -37.2 | 176.7 | -62.7 | 0 | 0 | 0 | 0 | 112.8 | C512 L683 I684 L689 R691 L699 L701 | C512-C687 PolarHBondContact SG-SG 2.78Å; L683-C687 PolarHBondContact O-N 3.32Å; L683-C687 PolarHBondContact O-SG 2.94Å; I684-C687 PolarHBondContact O-N 2.94Å; C687-L689 VanDerWaalsContact C-N 3.31Å; C687-R691 WeakPolarHBondContact O-CB 3.28Å; C687-R691 PolarHBondContact O-N 3.19Å; C687-L699 HydrophobicContact CB-CD1 4.21Å; C687-L699 HydrophobicContact CB-CD2 3.92Å; C687-L701 VanDerWaalsContact SG-CD1 3.55Å |
| 688 | I | 78.9 | Confident | 72.5 | Confident | 73 Ų | 73 | 50.8 Ų | 50.8 | 37% | 0.374 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.3 | -37.1 | 171.3 | -72.4 | 166 | 0 | 0 | 0 | 110.8 | I684 Q685 R692 | I684-I688 HydrophobicContact CG2-CD1 3.74Å; I684-I688 HydrophobicContact CG2-CG1 4.44Å; I684-I688 WeakPolarHBondContact O-CB 3.37Å; I684-I688 WeakPolarHBondContact O-CD1 3.37Å; I684-I688 WeakPolarHBondContact O-CG1 3.33Å; I684-I688 PolarHBondContact O-N 3.14Å; Q685-I688 PolarHBondContact O-N 2.82Å; I688-R692 WeakPolarHBondContact O-CB 3.41Å; I688-R692 PolarHBondContact O-N 2.86Å |
| 689 | L | 84 | Confident | 71.6 | Confident | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.6 | -45.8 | 177.8 | -168.1 | 62.3 | 0 | 0 | 0 | 111.2 | L483 L486 T490 L508 Q685 T686 C687 R692 C693 | L483-L689 HydrophobicContact CD2-CD2 4.09Å; L486-L689 HydrophobicContact CB-CD1 4.45Å; L486-L689 HydrophobicContact CB-CD2 3.87Å; L486-L689 HydrophobicContact CD1-CD2 4.34Å; T490-L689 HydrophobicContact CG2-CD1 3.85Å; T490-L689 WeakPolarHBondContact OG1-CD1 3.47Å; L508-L689 HydrophobicContact CD1-CB 4.24Å; L508-L689 HydrophobicContact CD1-CD2 3.63Å; L508-L689 HydrophobicContact CD1-CG 3.76Å; L508-L689 HydrophobicContact CD2-CD2 3.96Å; L508-L689 HydrophobicContact CG-CD2 4.48Å; Q685-L689 WeakPolarHBondContact O-CB 3.41Å; Q685-L689 PolarHBondContact O-N 2.91Å; T686-L689 WeakPolarHBondContact O-CB 3.45Å; T686-L689 PolarHBondContact O-N 3.36Å; C687-L689 VanDerWaalsContact C-N 3.31Å; L689-R692 PolarHBondContact O-N 3.28Å; L689-C693 WeakPolarHBondContact O-CB 3.43Å; L689-C693 PolarHBondContact O-N 3.15Å; L689-C693 PolarHBondContact O-SG 2.74Å |
| 690 | L | 81.9 | Confident | 70.4 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -53.1 | -57.6 | 170.3 | -83.6 | 162.2 | 0 | 0 | 0 | 111.5 | L505 L508 C512 T686 R692 C693 N694 L699 | L505-L690 HydrophobicContact CD2-CD2 4.21Å; L508-L690 HydrophobicContact CB-CD1 4.12Å; L508-L690 HydrophobicContact CB-CD2 3.84Å; L508-L690 HydrophobicContact CB-CG 3.71Å; C512-L690 HydrophobicContact CB-CD1 4.38Å; C512-L690 VanDerWaalsContact SG-CD1 3.51Å; T686-L690 PolarHBondContact O-N 3.1Å; L690-R692 PolarHBondContact O-N 2.95Å; L690-C693 PolarHBondContact O-N 2.77Å; L690-N694 PolarHBondContact O-N 3.49Å; L690-L699 HydrophobicContact CB-CD2 4Å; L690-L699 HydrophobicContact CD1-CD2 4.07Å |
| 691 | R | 73.5 | Confident | 69.3 | Low | 131 Ų | 131 | 51.5 Ų | 51.5 | 49% | 0.494 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -66.3 | -20.6 | -176.1 | -150.4 | 178.8 | -164.1 | -177.3 | 3.6 | 113.6 | C687 N694 L699 | C687-R691 WeakPolarHBondContact O-CB 3.28Å; C687-R691 PolarHBondContact O-N 3.19Å; R691-N694 WeakPolarHBondContact CA-O 3.28Å; R691-L699 HydrophobicContact CB-CD1 4.46Å |
| 692 | R | 76.8 | Confident | 67.5 | Low | 111 Ų | 111 | 51.4 Ų | 51.4 | 42% | 0.419 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -79.6 | -34 | 172.1 | -176.8 | 178.8 | -171 | 84.2 | 11.4 | 112.6 | T490 G491 I688 L689 L690 | T490-R692 PolarHBondContact O-NE 2.78Å; G491-R692 PolarHBondContact O-NH2 2.9Å; I688-R692 WeakPolarHBondContact O-CB 3.41Å; I688-R692 PolarHBondContact O-N 2.86Å; L689-R692 PolarHBondContact O-N 3.28Å; L690-R692 PolarHBondContact O-N 2.95Å |
| 693 | C | 74.6 | Confident | 65.2 | Low | 14 Ų | 14 | 56.3 Ų | 56.3 | 10% | 0.095 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -84.2 | -34.3 | 179.6 | -72.1 | 0 | 0 | 0 | 0 | 112.3 | T490 L499 L505 L689 L690 | T490-C693 WeakPolarHBondContact CG2-SG 3.43Å; L499-C693 HydrophobicContact CD2-CB 4.26Å; L499-C693 WeakPolarHBondContact CD2-SG 3.36Å; L505-C693 HydrophobicContact CD2-CB 3.78Å; L689-C693 WeakPolarHBondContact O-CB 3.43Å; L689-C693 PolarHBondContact O-N 3.15Å; L689-C693 PolarHBondContact O-SG 2.74Å; L690-C693 PolarHBondContact O-N 2.77Å |
| 694 | N | 69.3 | Low | 62.9 | Low | 35 Ų | 35 | 56.8 Ų | 56.8 | 19% | 0.187 | 28% | 0.278 | C | S | . | . | trans | -141.1 | 116.8 | 170.9 | -176.3 | -18.3 | 0 | 0 | 0 | 110.2 | L505 L690 R691 R696 C697 F1254 | L505-N694 HydrophobicContact CD1-CB 4.35Å; L505-N694 HydrophobicContact CD2-CB 4.18Å; L690-N694 PolarHBondContact O-N 3.49Å; R691-N694 WeakPolarHBondContact CA-O 3.28Å; N694-R696 PolarHBondContact OD1-N 3.24Å; N694-R696 VanDerWaalsContact OD1-N 3.16Å; N694-C697 HydrophobicContact CB-CB 3.96Å; N694-C697 WeakPolarHBondContact O-CB 3.34Å; N694-C697 PolarHBondContact OD1-N 3.1Å; N694-F1254 VanDerWaalsContact CG-CZ 3.49Å; N694-F1254 VanDerWaalsContact ND2-CE2 3.32Å; N694-F1254 WeakPolarHBondContact ND2-CE2 3.31Å; N694-F1254 WeakPolarHBondContact ND2-CZ 3.34Å; N694-F1254 WeakPolarHBondContact OD1-CE2 3.25Å; N694-F1254 WeakPolarHBondContact OD1-CZ 3.39Å | ||
| 695 | Q | 62.6 | Low | 60.6 | Low | 163 Ų | 163 | 56.2 Ų | 56.2 | 76% | 0.762 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -76.3 | -35.5 | -175.5 | -70.7 | -174.1 | -3.6 | 0 | 0 | 114.2 | C697 | Q695-C697 VanDerWaalsContact C-N 3.27Š|
| 696 | R | 54.7 | Low | 58.1 | Low | 165 Ų | 165 | 59.8 Ų | 59.8 | 62% | 0.623 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -84.8 | 0.5 | 177.6 | -30.4 | 175 | 173.2 | 173.3 | -8.5 | 112.6 | N694 S698 F1254 | N694-R696 PolarHBondContact OD1-N 3.24Å; N694-R696 VanDerWaalsContact OD1-N 3.16Å; R696-S698 PolarHBondContact O-N 3.22Å; R696-S698 VanDerWaalsContact O-N 3.08Å; R696-F1254 HydrophobicContact CB-CD2 4.4Å; R696-F1254 HydrophobicContact CB-CE1 4.12Å; R696-F1254 HydrophobicContact CB-CE2 3.61Å; R696-F1254 HydrophobicContact CB-CZ 3.46Å; R696-F1254 VanDerWaalsContact CB-CZ 3.46Å; R696-F1254 HydrophobicContact CG-CD2 4.33Å; R696-F1254 HydrophobicContact CG-CE2 3.8Å; R696-F1254 HydrophobicContact CG-CZ 4.2Å |
| 697 | C | 50.6 | Low | 55.7 | Low | 25 Ų | 25 | 64.6 Ų | 64.6 | 17% | 0.169 | 32% | 0.324 | C | S | . | . | trans | -60.8 | 114 | 175.7 | 179 | 0 | 0 | 0 | 0 | 109.9 | N694 Q695 L699 | N694-C697 HydrophobicContact CB-CB 3.96Å; N694-C697 WeakPolarHBondContact O-CB 3.34Å; N694-C697 PolarHBondContact OD1-N 3.1Å; Q695-C697 VanDerWaalsContact C-N 3.27Å; C697-L699 VanDerWaalsContact C-N 3.34Å; C697-L699 PolarHBondContact O-N 3.31Å | ||
| 698 | S | 49.9 | Very low | 53.3 | Low | 80 Ų | 80 | 66.2 Ų | 66.2 | 56% | 0.559 | 34% | 0.335 | S | S | * | . | trans | -65.6 | 91 | 174.7 | 39.1 | 0 | 0 | 0 | 0 | 109.7 | R696 | R696-S698 PolarHBondContact O-N 3.22Å; R696-S698 VanDerWaalsContact O-N 3.08Å | ||
| 699 | L | 50.7 | Low | 50.9 | Low | 7 Ų | 7 | 66.6 Ų | 66.6 | 4% | 0.037 | 35% | 0.345 | C | S | . | . | trans | -52 | 127.3 | 172.3 | -73.6 | 174.4 | 0 | 0 | 0 | 108.6 | C687 L690 R691 C697 L701 I702 | C687-L699 HydrophobicContact CB-CD1 4.21Å; C687-L699 HydrophobicContact CB-CD2 3.92Å; L690-L699 HydrophobicContact CB-CD2 4Å; L690-L699 HydrophobicContact CD1-CD2 4.07Å; R691-L699 HydrophobicContact CB-CD1 4.46Å; C697-L699 VanDerWaalsContact C-N 3.34Å; C697-L699 PolarHBondContact O-N 3.31Å; L699-L701 PolarHBondContact O-N 3.08Å; L699-I702 HydrophobicContact CB-CD1 4.47Å; L699-I702 HydrophobicContact CB-CG1 4.49Å; L699-I702 WeakPolarHBondContact O-CB 3.39Å; L699-I702 PolarHBondContact O-N 2.87Å | ||
| 700 | P | 45.2 | Very low | 48.3 | Very low | 18 Ų | 18 | 70.5 Ų | 70.5 | 12% | 0.117 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -67.7 | -11.7 | -171.9 | 26.7 | -33.6 | 0 | 0 | 0 | 112.7 | Y509 C512 I513 I516 I702 A704 | Y509-P700 HydrophobicContact CD2-CG 4.48Å; Y509-P700 HydrophobicContact CE2-CB 4.43Å; Y509-P700 HydrophobicContact CE2-CG 4.05Å; C512-P700 HydrophobicContact CB-CG 4.04Å; I513-P700 HydrophobicContact CG1-CG 4.45Å; I516-P700 HydrophobicContact CD1-CB 3.54Å; I516-P700 HydrophobicContact CD1-CG 3.59Å; P700-I702 PolarHBondContact O-N 3.13Å; P700-A704 PolarHBondContact O-N 2.89Å |
| 701 | L | 44.8 | Very low | 45.9 | Very low | 50 Ų | 50 | 74.3 Ų | 74.3 | 26% | 0.262 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.5 | -18.9 | 165.2 | -75.9 | 157.8 | 0 | 0 | 0 | 114.7 | C687 L699 A704 | C687-L701 VanDerWaalsContact SG-CD1 3.55Å; L699-L701 PolarHBondContact O-N 3.08Å; L701-A704 WeakPolarHBondContact O-CB 3.47Å |
| 702 | I | 39 | Very low | 43.8 | Very low | 71 Ų | 71 | 74.8 Ų | 74.8 | 36% | 0.364 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -82.8 | -41.1 | 178.9 | -61.6 | 176.5 | 0 | 0 | 0 | 110.2 | L699 P700 A704 E705 | L699-I702 HydrophobicContact CB-CD1 4.47Å; L699-I702 HydrophobicContact CB-CG1 4.49Å; L699-I702 WeakPolarHBondContact O-CB 3.39Å; L699-I702 PolarHBondContact O-N 2.87Å; P700-I702 PolarHBondContact O-N 3.13Å; I702-A704 PolarHBondContact O-N 2.82Å; I702-E705 PolarHBondContact O-N 3Å |
| 703 | N | 34.2 | Very low | 41.4 | Very low | 103 Ų | 103 | 77.1 Ų | 77.1 | 55% | 0.551 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -71.7 | -12 | 172.9 | -74.1 | 15.6 | 0 | 0 | 0 | 112.9 | E705 N706 V707 | N703-E705 PolarHBondContact O-N 3.18Å; N703-N706 PolarHBondContact O-N 3.24Å; N703-V707 PolarHBondContact O-N 3.41Å |
| 704 | A | 30.6 | Very low | 39.2 | Very low | 31 Ų | 31 | 86 Ų | 86 | 26% | 0.256 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.7 | -23.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | P700 L701 I702 N706 S708 | P700-A704 PolarHBondContact O-N 2.89Å; L701-A704 WeakPolarHBondContact O-CB 3.47Å; I702-A704 PolarHBondContact O-N 2.82Å; A704-N706 VanDerWaalsContact C-N 3.29Å; A704-N706 PolarHBondContact O-N 3.05Å; A704-S708 VanDerWaalsContact O-CB 3.22Å; A704-S708 WeakPolarHBondContact O-CB 3.43Å; A704-S708 PolarHBondContact O-N 3.36Å; A704-S708 PolarHBondContact O-OG 2.63Å |
| 705 | E | 28.1 | Very low | 37.1 | Very low | 54 Ų | 54 | 95.6 Ų | 95.6 | 25% | 0.252 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.6 | -30.4 | 172.6 | -63.3 | -170.7 | 102.9 | 0 | 0 | 112 | K537 K540 I702 N703 S709 | K537-E705 WeakPolarHBondContact CE-OE1 3.32Å; K537-E705 IonicContact NZ-OE1 3.89Å; K540-E705 IonicContact NZ-OE1 2.77Å; K540-E705 IonicContact NZ-OE2 3.53Å; K540-E705 PolarHBondContact NZ-OE2 3.4Å; I702-E705 PolarHBondContact O-N 3Å; N703-E705 PolarHBondContact O-N 3.18Å; E705-S709 PolarHBondContact O-OG 3.03Å |
| 706 | N | 30.4 | Very low | 35.5 | Very low | 119 Ų | 119 | 95.5 Ų | 95.5 | 64% | 0.636 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -85.1 | -40.6 | 175.2 | -67.4 | 0.9 | 0 | 0 | 0 | 111.7 | N703 A704 S709 A710 | N703-N706 PolarHBondContact O-N 3.24Å; A704-N706 VanDerWaalsContact C-N 3.29Å; A704-N706 PolarHBondContact O-N 3.05Å; N706-S709 PolarHBondContact O-N 3.09Å; N706-A710 PolarHBondContact O-N 3.03Å |
| 707 | V | 30.9 | Very low | 34.3 | Very low | 100 Ų | 100 | 93.1 Ų | 93.1 | 61% | 0.606 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -69 | -34.3 | 179.7 | 177.9 | 0 | 0 | 0 | 0 | 112.5 | N703 S709 S711 | N703-V707 PolarHBondContact O-N 3.41Å; V707-S709 VanDerWaalsContact C-N 3.33Å; V707-S711 PolarHBondContact O-OG 3.29Å |
| 708 | S | 28.7 | Very low | 33.2 | Very low | 37 Ų | 37 | 101.1 Ų | 101.1 | 26% | 0.259 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -71.6 | -29.5 | 174.3 | -51.1 | 0 | 0 | 0 | 0 | 112.3 | A704 S711 | A704-S708 VanDerWaalsContact O-CB 3.22Å; A704-S708 WeakPolarHBondContact O-CB 3.43Å; A704-S708 PolarHBondContact O-N 3.36Å; A704-S708 PolarHBondContact O-OG 2.63Å; S708-S711 PolarHBondContact O-OG 3.25Å |
| 709 | S | 28.1 | Very low | 32.3 | Very low | 82 Ų | 82 | 102.3 Ų | 102.3 | 57% | 0.573 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -72.6 | -31.9 | 177.9 | -60.7 | 0 | 0 | 0 | 0 | 112.4 | E705 N706 V707 | E705-S709 PolarHBondContact O-OG 3.03Å; N706-S709 PolarHBondContact O-N 3.09Å; V707-S709 VanDerWaalsContact C-N 3.33Å |
| 710 | A | 29.4 | Very low | 31.2 | Very low | 83 Ų | 83 | 109.4 Ų | 109.4 | 69% | 0.686 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -79.6 | -17.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | N706 | N706-A710 PolarHBondContact O-N 3.03Å |
| 711 | S | 31.4 | Very low | 30.4 | Very low | 81 Ų | 81 | 115.1 Ų | 115.1 | 57% | 0.566 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -105 | -11.9 | -169.5 | 45.5 | 0 | 0 | 0 | 0 | 115.3 | V707 S708 | V707-S711 PolarHBondContact O-OG 3.29Å; S708-S711 PolarHBondContact O-OG 3.25Å |
| 712 | L | 28.9 | Very low | 29.6 | Very low | 141 Ų | 141 | 120.1 Ų | 120.1 | 74% | 0.738 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -97 | -0.6 | -179.1 | -84 | 164.4 | 0 | 0 | 0 | 115.3 | ||
| 713 | L | 27.8 | Very low | 29.2 | Very low | 160 Ų | 160 | 124.5 Ų | 124.5 | 84% | 0.838 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -102.4 | 7.1 | -179.6 | -82.3 | 169.5 | 0 | 0 | 0 | 115.1 | ||
| 714 | R | 27.2 | Very low | 29.1 | Very low | 200 Ų | 200 | 125.6 Ų | 125.6 | 76% | 0.755 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -129.6 | 74.9 | 175.1 | -72.5 | -170.5 | 179.8 | 178.9 | 1.4 | 112.2 | ||
| 715 | R | 26.6 | Very low | 29.1 | Very low | 238 Ų | 238 | 130.1 Ų | 130.1 | 90% | 0.898 | 69% | 0.688 | S | S | * | * | trans | -172.1 | 87.4 | 158.3 | -105.2 | 162 | -158.7 | 170 | 7.6 | 111.5 | ||||
| 716 | N | 29 | Very low | 29.2 | Very low | 160 Ų | 160 | 133 Ų | 133 | 86% | 0.856 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -168.6 | 147.6 | 150.3 | -95.7 | -23 | 0 | 0 | 0 | 108.6 | ||
| 717 | S | 29.4 | Very low | 29.3 | Very low | 116 Ų | 116 | 131.7 Ų | 131.7 | 81% | 0.811 | 72% | 0.72 | S | S | * | * | trans | 48.6 | 94.1 | 168.9 | 54.9 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 718 | E | 28 | Very low | 29.3 | Very low | 193 Ų | 193 | 132.7 Ų | 132.7 | 90% | 0.902 | 73% | 0.732 | S | S | * | * | trans | -1 | 164.4 | 138.1 | -71 | 175 | 150.2 | 0 | 0 | 122.7 | ||||
| 719 | P | 29 | Very low | 29.6 | Very low | 104 Ų | 104 | 136.6 Ų | 136.6 | 68% | 0.675 | 76% | 0.756 | S | S | * | * | trans | -122.3 | 162.9 | -145.9 | 42.1 | -30.4 | 0 | 0 | 0 | 117.2 | ||||
| 720 | L | 28.2 | Very low | 29.7 | Very low | 157 Ų | 157 | 141.4 Ų | 141.4 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | trans | -141.3 | 107.8 | 160.4 | -79.2 | 178.4 | 0 | 0 | 0 | 114 | ||||
| 721 | I | 29.8 | Very low | 29.8 | Very low | 137 Ų | 137 | 142.7 Ų | 142.7 | 70% | 0.703 | 77% | 0.769 | S | S | * | * | 58.8 | 102.1 | 128.5 | -60.5 | -179.1 | 0 | 0 | 0 | 120.4 | |||||
| 722 | Q | 27 | Very low | 29.5 | Very low | 156 Ų | 156 | 145.6 Ų | 145.6 | 73% | 0.729 | 77% | 0.774 | S | S | * | * | trans | 74.2 | 143.1 | 130.1 | -71.4 | -173.1 | 12.2 | 0 | 0 | 125.1 | ||||
| 723 | K | 31.7 | Very low | 29.5 | Very low | 163 Ų | 163 | 146.9 Ų | 146.9 | 71% | 0.709 | 77% | 0.773 | S | S | * | * | trans | 96.8 | 93 | 143.7 | -81.1 | 172.5 | 179.3 | -171.1 | 0 | 122.5 | ||||
| 724 | D | 31.1 | Very low | 29.5 | Very low | 125 Ų | 125 | 147.6 Ų | 147.6 | 67% | 0.668 | 77% | 0.77 | S | S | * | * | 77.6 | 111.4 | 112.1 | -59.6 | 1.6 | 0 | 0 | 0 | 123 | |||||
| 725 | T | 30.2 | Very low | 29.5 | Very low | 126 Ų | 126 | 144.4 Ų | 144.4 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | trans | 78.6 | 112.5 | 131.3 | 56.1 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 726 | S | 30 | Very low | 29.5 | Very low | 116 Ų | 116 | 137.7 Ų | 137.7 | 81% | 0.811 | 76% | 0.764 | S | S | * | * | 104.4 | 143.9 | 118.1 | 74.9 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 727 | A | 33.6 | Very low | 29.6 | Very low | 91 Ų | 91 | 133.6 Ų | 133.6 | 75% | 0.752 | 75% | 0.752 | S | S | * | * | trans | 71.2 | 95.2 | 149.1 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 728 | S | 29.9 | Very low | 29.5 | Very low | 121 Ų | 121 | 136.2 Ų | 136.2 | 85% | 0.846 | 75% | 0.749 | S | S | * | * | trans | 68.4 | 136.5 | 130.4 | -145.4 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 729 | P | 36 | Very low | 29.4 | Very low | 119 Ų | 119 | 134.2 Ų | 134.2 | 77% | 0.773 | 74% | 0.737 | S | S | * | * | trans | -108.7 | 162.7 | -177.8 | 40.8 | -33.6 | 0 | 0 | 0 | 114.3 | ||||
| 730 | E | 30.1 | Very low | 29.4 | Very low | 183 Ų | 183 | 135.7 Ų | 135.7 | 86% | 0.855 | 73% | 0.733 | S | S | * | * | trans | -149.5 | 157.5 | 151.9 | -139.8 | 170.6 | -129.5 | 0 | 0 | 112.8 | ||||
| 731 | T | 30.4 | Very low | 29.3 | Very low | 109 Ų | 109 | 136.3 Ų | 136.3 | 67% | 0.669 | 74% | 0.736 | S | S | * | * | trans | 12.5 | 135.8 | 167 | 48.2 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 732 | E | 26.1 | Very low | 29.1 | Very low | 143 Ų | 143 | 132.8 Ų | 132.8 | 67% | 0.668 | 72% | 0.723 | S | S | * | * | trans | 36.2 | 119.5 | 139 | -51.2 | -177.7 | 175.7 | 0 | 0 | 121 | ||||
| 733 | K | 29.4 | Very low | 29.1 | Very low | 167 Ų | 167 | 130.1 Ų | 130.1 | 73% | 0.726 | 72% | 0.72 | S | S | * | * | -172.2 | 135.2 | 87.7 | -117.1 | 102.9 | -175.7 | 157.4 | 0 | 113.9 | |||||
| 734 | F | 26.6 | Very low | 28.7 | Very low | 175 Ų | 175 | 127.8 Ų | 127.8 | 77% | 0.768 | 71% | 0.712 | S | S | * | * | trans | 45.7 | 124 | 131.1 | -92.4 | -123.8 | 0 | 0 | 0 | 122.8 | ||||
| 735 | N | 26.4 | Very low | 28.3 | Very low | 134 Ų | 134 | 128.3 Ų | 128.3 | 72% | 0.717 | 71% | 0.713 | S | S | * | * | trans | 75 | 125.2 | 134.1 | -76.2 | -3.3 | 0 | 0 | 0 | 122.6 | ||||
| 736 | A | 27.7 | Very low | 27.9 | Very low | 97 Ų | 97 | 126.7 Ų | 126.7 | 80% | 0.802 | 71% | 0.707 | S | S | * | * | trans | 68.6 | 134.2 | 130.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 737 | A | 30.2 | Very low | 27.7 | Very low | 74 Ų | 74 | 131.3 Ų | 131.3 | 61% | 0.612 | 71% | 0.708 | S | S | * | * | cis | -172.2 | 158.9 | -1.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 738 | K | 28.8 | Very low | 27.1 | Very low | 171 Ų | 171 | 131.7 Ų | 131.7 | 74% | 0.743 | 71% | 0.705 | S | S | * | * | trans | 53.6 | 82.2 | 142.2 | -65.2 | 164.3 | -175.9 | 168.8 | 0 | 119.5 | ||||
| 739 | F | 26.1 | Very low | 26.9 | Very low | 151 Ų | 151 | 131.4 Ų | 131.4 | 66% | 0.662 | 70% | 0.699 | S | S | * | * | trans | -124.5 | 93.6 | 135 | -74.1 | -67.5 | 0 | 0 | 0 | 107.6 | Q744 | F739-Q744 HydrophobicContact CD1-CB 3.78Å; F739-Q744 HydrophobicContact CD1-CG 4.14Å; F739-Q744 HydrophobicContact CE1-CB 3.63Å; F739-Q744 VanDerWaalsContact CE1-CD 3.45Å; F739-Q744 HydrophobicContact CE1-CG 3.51Å; F739-Q744 HydrophobicContact CZ-CG 4.01Å | ||
| 740 | K | 27.7 | Very low | 26.3 | Very low | 135 Ų | 135 | 132.2 Ų | 132.2 | 59% | 0.587 | 70% | 0.696 | S | S | * | * | cis | 81.7 | 103.4 | 35.2 | -144.7 | -162.2 | -174 | -154.3 | 0 | 112.8 | S742 | K740-S742 CarbonylContact C-O 3.57Å; K740-S742 WeakPolarHBondContact CB-O 3.37Å; K740-S742 WeakPolarHBondContact CD-O 3.34Å; K740-S742 WeakPolarHBondContact CD-OG 3.35Å; K740-S742 WeakPolarHBondContact CE-OG 3.44Å; K740-S742 VanDerWaalsContact CG-O 3.24Å; K740-S742 WeakPolarHBondContact CG-O 3.47Å; K740-S742 PolarHBondContact NZ-OG 3.1Å; K740-S742 CarbonylContact O-C 3.57Å | ||
| 741 | L | 26.8 | Very low | 26.4 | Very low | 170 Ų | 170 | 130.6 Ų | 130.6 | 89% | 0.89 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -104.2 | 117.5 | 143.5 | -96.1 | 161.7 | 0 | 0 | 0 | 104.4 | P743 | L741-P743 HydrophobicContact CD2-CG 4.4Š|
| 742 | S | 24.8 | Very low | 26.3 | Very low | 62 Ų | 62 | 132.6 Ų | 132.6 | 43% | 0.434 | 70% | 0.698 | S | S | . | * | S | Bend | cis | -44 | 145.5 | 2.1 | 64.8 | 0 | 0 | 0 | 0 | 116.5 | K740 | K740-S742 CarbonylContact C-O 3.57Å; K740-S742 WeakPolarHBondContact CB-O 3.37Å; K740-S742 WeakPolarHBondContact CD-O 3.34Å; K740-S742 WeakPolarHBondContact CD-OG 3.35Å; K740-S742 WeakPolarHBondContact CE-OG 3.44Å; K740-S742 VanDerWaalsContact CG-O 3.24Å; K740-S742 WeakPolarHBondContact CG-O 3.47Å; K740-S742 PolarHBondContact NZ-OG 3.1Å; K740-S742 CarbonylContact O-C 3.57Å |
| 743 | P | 27.8 | Very low | 26.5 | Very low | 101 Ų | 101 | 129.8 Ų | 129.8 | 66% | 0.656 | 69% | 0.693 | S | S | * | * | trans | -90 | -177.6 | -152.5 | -2.1 | 23.1 | 0 | 0 | 0 | 114.9 | L741 | L741-P743 HydrophobicContact CD2-CG 4.4Š| ||
| 744 | Q | 23.1 | Very low | 26.4 | Very low | 114 Ų | 114 | 127.5 Ų | 127.5 | 53% | 0.533 | 69% | 0.692 | S | S | . | * | S | Bend | trans | -94.2 | 126.4 | 166.2 | -170.6 | 171.2 | 12.9 | 0 | 0 | 111.1 | F739 | F739-Q744 HydrophobicContact CD1-CB 3.78Å; F739-Q744 HydrophobicContact CD1-CG 4.14Å; F739-Q744 HydrophobicContact CE1-CB 3.63Å; F739-Q744 VanDerWaalsContact CE1-CD 3.45Å; F739-Q744 HydrophobicContact CE1-CG 3.51Å; F739-Q744 HydrophobicContact CZ-CG 4.01Å |
| 745 | I | 22.1 | Very low | 26.3 | Very low | 136 Ų | 136 | 122.9 Ų | 122.9 | 70% | 0.697 | 68% | 0.682 | S | S | * | * | trans | 54.1 | 121 | 153.8 | -61.8 | 170.5 | 0 | 0 | 0 | 119.2 | ||||
| 746 | S | 22.5 | Very low | 26.3 | Very low | 92 Ų | 92 | 125.8 Ų | 125.8 | 64% | 0.643 | 68% | 0.684 | S | S | * | * | trans | 69.3 | 152.2 | 156.7 | 80.3 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 747 | Y | 24.8 | Very low | 26.2 | Very low | 212 Ų | 212 | 126.7 Ų | 126.7 | 83% | 0.831 | 68% | 0.675 | S | S | * | * | cis | -122.7 | 174.9 | -2.2 | -93 | -86.2 | 0 | 0 | 0 | 111.2 | ||||
| 748 | S | 22.6 | Very low | 25.9 | Very low | 99 Ų | 99 | 128.3 Ų | 128.3 | 69% | 0.692 | 68% | 0.677 | S | S | * | * | trans | 20.9 | 130.3 | 148.7 | 63.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 749 | T | 24.9 | Very low | 25.7 | Very low | 116 Ų | 116 | 129 Ų | 129 | 71% | 0.712 | 68% | 0.681 | S | S | * | * | cis | -168.3 | 177 | 13.2 | 2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 750 | N | 24.3 | Very low | 25.6 | Very low | 135 Ų | 135 | 130.4 Ų | 130.4 | 72% | 0.722 | 69% | 0.686 | S | S | * | * | trans | -9.3 | 131.8 | 136.1 | -40.6 | -24.5 | 0 | 0 | 0 | 112.7 | ||||
| 751 | I | 32.1 | Very low | 25.5 | Very low | 149 Ų | 149 | 127.3 Ų | 127.3 | 76% | 0.764 | 68% | 0.682 | S | S | * | * | -156.8 | 126.5 | 60 | -75.6 | 147.5 | 0 | 0 | 0 | 104.9 | |||||
| 752 | N | 26.9 | Very low | 25.5 | Very low | 151 Ų | 151 | 126.4 Ų | 126.4 | 81% | 0.807 | 67% | 0.673 | S | S | * | * | 60.8 | -179.8 | 51.5 | -129.7 | 11.1 | 0 | 0 | 0 | 111.3 | |||||
| 753 | P | 30.9 | Very low | 25.7 | Very low | 84 Ų | 84 | 131.1 Ų | 131.1 | 55% | 0.545 | 69% | 0.688 | S | S | . | * | cis | -122 | -155.3 | -23.6 | 32.3 | -10.8 | 0 | 0 | 0 | 111.8 | ||||
| 754 | V | 26.7 | Very low | 25.6 | Very low | 119 Ų | 119 | 132.2 Ų | 132.2 | 72% | 0.721 | 69% | 0.692 | S | S | * | * | trans | 61.3 | 104.9 | 158.3 | -70.8 | 0 | 0 | 0 | 0 | 118 | ||||
| 755 | S | 25.9 | Very low | 26 | Very low | 78 Ų | 78 | 131.9 Ų | 131.9 | 55% | 0.545 | 70% | 0.7 | S | S | . | * | 73.8 | 145.9 | 71.9 | 75.7 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 756 | Y | 26.1 | Very low | 26.2 | Very low | 195 Ų | 195 | 132.5 Ų | 132.5 | 77% | 0.765 | 70% | 0.704 | S | S | * | * | cis | -122.2 | 141.3 | 35.4 | -92.6 | -109.7 | 0 | 0 | 0 | 112.9 | ||||
| 757 | L | 24.7 | Very low | 26.4 | Very low | 117 Ų | 117 | 132.2 Ų | 132.2 | 61% | 0.613 | 70% | 0.702 | S | S | * | * | 47.8 | 107.2 | 102.2 | -79.8 | 82.6 | 0 | 0 | 0 | 113.3 | |||||
| 758 | T | 24.2 | Very low | 26.7 | Very low | 108 Ų | 108 | 129.2 Ų | 129.2 | 66% | 0.663 | 70% | 0.696 | S | S | * | * | 62.2 | 141.8 | 81.1 | 68.9 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 759 | K | 24.9 | Very low | 26.9 | Very low | 186 Ų | 186 | 133 Ų | 133 | 81% | 0.809 | 70% | 0.699 | S | S | * | * | trans | 73 | 147 | -178.6 | -49.5 | 169.2 | -174.3 | 174 | 0 | 112.3 | ||||
| 760 | K | 24.8 | Very low | 27 | Very low | 180 Ų | 180 | 132.5 Ų | 132.5 | 78% | 0.783 | 70% | 0.701 | S | S | * | * | cis | -154.4 | 157 | -10.4 | -126.3 | -173.9 | 174.6 | -162.6 | 0 | 110.5 | ||||
| 761 | S | 24.7 | Very low | 27 | Very low | 70 Ų | 70 | 130.9 Ų | 130.9 | 49% | 0.49 | 70% | 0.7 | S | S | . | * | trans | -3.2 | 149.7 | 143.7 | 58.5 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 762 | H | 27.1 | Very low | 26.9 | Very low | 151 Ų | 151 | 129.5 Ų | 129.5 | 70% | 0.699 | 70% | 0.699 | S | S | * | * | trans | 72.3 | 144.8 | 170.3 | -47.1 | -79.3 | 0 | 0 | 0 | 113.7 | ||||
| 763 | E | 28 | Very low | 26.8 | Very low | 161 Ų | 161 | 127.3 Ų | 127.3 | 75% | 0.752 | 69% | 0.691 | S | S | * | * | cis | -156.4 | -179.1 | -11.2 | -128.8 | 146.3 | -147.3 | 0 | 0 | 111.8 | ||||
| 764 | T | 26.9 | Very low | 26.8 | Very low | 123 Ų | 123 | 130.2 Ų | 130.2 | 76% | 0.755 | 70% | 0.702 | S | S | * | * | trans | -66.3 | 173.1 | 167.8 | 45.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 765 | P | 32.1 | Very low | 26.9 | Very low | 108 Ų | 108 | 130.5 Ų | 130.5 | 70% | 0.701 | 70% | 0.699 | S | S | * | * | cis | -133.3 | -122.9 | -39.4 | 34 | -13.3 | 0 | 0 | 0 | 109.7 | ||||
| 766 | L | 25.8 | Very low | 27.2 | Very low | 149 Ų | 149 | 134.3 Ų | 134.3 | 78% | 0.78 | 71% | 0.712 | S | S | * | * | trans | 70.5 | 101.9 | 160.7 | -75.1 | 163.3 | 0 | 0 | 0 | 120.6 | ||||
| 767 | S | 26.2 | Very low | 27.6 | Very low | 86 Ų | 86 | 131.6 Ų | 131.6 | 60% | 0.601 | 71% | 0.709 | S | S | * | * | 95.4 | 155.2 | 116.1 | 83.2 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 768 | H | 31.1 | Very low | 27.7 | Very low | 149 Ų | 149 | 133.9 Ų | 133.9 | 69% | 0.69 | 71% | 0.714 | S | S | * | * | trans | 64 | 110.9 | 161.3 | -63 | -35.2 | 0 | 0 | 0 | 117.8 | ||||
| 769 | K | 25.8 | Very low | 28 | Very low | 177 Ų | 177 | 138.7 Ų | 138.7 | 77% | 0.77 | 73% | 0.727 | S | S | * | * | 75.7 | 155.3 | 73.5 | -79.3 | -171.5 | -178.8 | 176.2 | 0 | 112.1 | |||||
| 770 | S | 27.1 | Very low | 28.1 | Very low | 106 Ų | 106 | 134.3 Ų | 134.3 | 74% | 0.741 | 72% | 0.716 | S | S | * | * | trans | 66.3 | 132.7 | -169.4 | 71.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 771 | S | 25.5 | Very low | 28.2 | Very low | 102 Ų | 102 | 132.8 Ų | 132.8 | 71% | 0.713 | 71% | 0.714 | S | S | * | * | 51.1 | 133.9 | 61 | 88.5 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 772 | T | 29.5 | Very low | 28.4 | Very low | 119 Ų | 119 | 135.3 Ų | 135.3 | 73% | 0.73 | 72% | 0.722 | S | S | * | * | -157.5 | 151.6 | 61 | -58.5 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 773 | T | 25.7 | Very low | 28.4 | Very low | 106 Ų | 106 | 133 Ų | 133 | 65% | 0.65 | 71% | 0.708 | S | S | * | * | trans | -52.3 | 139.7 | 167 | 47.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 774 | N | 30.9 | Very low | 28.4 | Very low | 144 Ų | 144 | 132.3 Ų | 132.3 | 77% | 0.77 | 70% | 0.702 | S | S | * | * | -167.8 | 123.7 | 127.2 | -89.3 | -33 | 0 | 0 | 0 | 109.4 | |||||
| 775 | N | 28 | Very low | 28.5 | Very low | 125 Ų | 125 | 129.5 Ų | 129.5 | 67% | 0.668 | 69% | 0.687 | S | S | * | * | 77.1 | 63.5 | 61.4 | -68.7 | -46.4 | 0 | 0 | 0 | 114.5 | |||||
| 776 | I | 33.1 | Very low | 28.3 | Very low | 158 Ų | 158 | 130 Ų | 130 | 81% | 0.81 | 68% | 0.683 | S | S | * | * | trans | -120.5 | 86.8 | 148.7 | -64.3 | -175.6 | 0 | 0 | 0 | 105.7 | ||||
| 777 | I | 33.9 | Very low | 28.3 | Very low | 138 Ų | 138 | 126.9 Ų | 126.9 | 71% | 0.708 | 67% | 0.674 | S | S | * | * | 79.8 | 129 | 96.1 | -75.1 | 161.6 | 0 | 0 | 0 | 111.7 | |||||
| 778 | K | 27.1 | Very low | 28.2 | Very low | 165 Ų | 165 | 131.8 Ų | 131.8 | 72% | 0.717 | 69% | 0.685 | S | S | * | * | cis | 169.4 | 107 | -22.9 | -116.5 | 179.6 | 178.8 | 173.6 | 0 | 104.7 | ||||
| 779 | F | 28.9 | Very low | 28 | Very low | 210 Ų | 210 | 133.4 Ų | 133.4 | 92% | 0.921 | 69% | 0.693 | S | S | * | * | trans | -167.3 | 84.4 | 153.7 | -100.5 | -68 | 0 | 0 | 0 | 105.9 | ||||
| 780 | T | 27.2 | Very low | 28 | Very low | 94 Ų | 94 | 131.9 Ų | 131.9 | 58% | 0.577 | 69% | 0.691 | S | S | * | * | cis | 64.9 | 91.8 | 47.3 | -49 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 781 | I | 28.7 | Very low | 27.9 | Very low | 148 Ų | 148 | 133.5 Ų | 133.5 | 76% | 0.759 | 69% | 0.692 | S | S | * | * | -171 | 101.7 | 121.7 | -84.8 | 144.8 | 0 | 0 | 0 | 104.9 | |||||
| 782 | N | 27.8 | Very low | 27.9 | Very low | 122 Ų | 122 | 133.2 Ų | 133.2 | 65% | 0.652 | 69% | 0.687 | S | S | * | * | 71.4 | 160.5 | 64.4 | -157.9 | 2 | 0 | 0 | 0 | 113.8 | |||||
| 783 | R | 28.1 | Very low | 27.7 | Very low | 104 Ų | 104 | 133.7 Ų | 133.7 | 39% | 0.392 | 68% | 0.684 | S | S | . | * | trans | 65.1 | 93.5 | -178.2 | -56 | 170.5 | 173.4 | 179.5 | -2.4 | 113.2 | Y815 P816 K817 | R783-Y815 PolarHBondContact NH1-OH 3.33Å; R783-Y815 PolarHBondContact NH2-OH 2.7Å; R783-P816 HydrophobicContact CB-CB 4.35Å; R783-K817 HydrophobicContact CB-CB 4.05Å; R783-K817 VanDerWaalsContact O-CD 3.25Å; R783-K817 WeakPolarHBondContact O-CD 3.48Å; R783-K817 WeakPolarHBondContact O-CE 3.3Å; R783-K817 PolarHBondContact O-NZ 2.69Å | ||
| 784 | K | 28 | Very low | 27.8 | Very low | 145 Ų | 145 | 133 Ų | 133 | 63% | 0.63 | 68% | 0.684 | S | S | * | * | cis | 112.6 | 23.1 | 14.9 | -149.4 | 177.6 | -179.2 | 179.9 | 0 | 118.2 | K817 V818 T819 | K784-K817 VanDerWaalsContact C-C 3.49Å; K784-K817 CarbonylContact C-O 3.6Å; K784-K817 CarbonylContact O-C 3.57Å; K784-V818 CarbonylContact O-C 3.21Å; K784-V818 WeakPolarHBondContact O-CA 3.45Å; K784-V818 PolarHBondContact O-N 3.48Å; K784-T819 PolarHBondContact O-N 2.9Å; K784-T819 VanDerWaalsContact O-N 3.14Å | ||
| 785 | S | 28.1 | Very low | 27.6 | Very low | 64 Ų | 64 | 128.8 Ų | 128.8 | 45% | 0.448 | 67% | 0.665 | S | S | . | * | trans | 134.2 | -167.7 | 169.3 | -169.6 | 0 | 0 | 0 | 0 | 112.2 | K817 | S785-K817 WeakPolarHBondContact O-CA 3.21Å; S785-K817 WeakPolarHBondContact O-CB 3.24Å; S785-K817 VanDerWaalsContact O-CD 3.24Å; S785-K817 WeakPolarHBondContact O-CD 3.48Å; S785-K817 WeakPolarHBondContact O-CG 3.49Å | ||
| 786 | L | 27.8 | Very low | 27.6 | Very low | 118 Ų | 118 | 126.2 Ų | 126.2 | 62% | 0.618 | 65% | 0.652 | S | S | * | * | trans | -178.1 | 127.5 | 140.8 | -161.3 | 80 | 0 | 0 | 0 | 105 | K817 | L786-K817 HydrophobicContact CB-CG 4.49Å; L786-K817 HydrophobicContact CD1-CG 4.43Å | ||
| 787 | S | 26.1 | Very low | 27.2 | Very low | 84 Ų | 84 | 129.9 Ų | 129.9 | 59% | 0.587 | 66% | 0.657 | S | S | * | * | trans | -43.2 | 145.5 | 175.6 | 51.7 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 788 | K | 24.7 | Very low | 27 | Very low | 190 Ų | 190 | 129.2 Ų | 129.2 | 83% | 0.826 | 65% | 0.649 | S | S | * | * | S | Bend | trans | 45.7 | 129.1 | 141.3 | -60 | 174.3 | -179.3 | 174.6 | 0 | 117.7 | ||
| 789 | Q | 26.3 | Very low | 27.2 | Very low | 183 Ų | 183 | 128.2 Ų | 128.2 | 86% | 0.855 | 65% | 0.645 | S | S | * | * | trans | 76.9 | 146.1 | -168.5 | -45.1 | 159.1 | 10.4 | 0 | 0 | 110.1 | ||||
| 790 | I | 26.2 | Very low | 27 | Very low | 145 Ų | 145 | 126.8 Ų | 126.8 | 74% | 0.744 | 65% | 0.646 | S | S | * | * | cis | -127.2 | 121.1 | 7.1 | -59.8 | 164.7 | 0 | 0 | 0 | 106.3 | ||||
| 791 | N | 24.3 | Very low | 26.9 | Very low | 140 Ų | 140 | 129.1 Ų | 129.1 | 75% | 0.749 | 65% | 0.654 | S | S | * | * | 62.2 | 147.9 | 78.6 | -96.4 | -12.1 | 0 | 0 | 0 | 116.7 | |||||
| 792 | P | 25.2 | Very low | 26.7 | Very low | 95 Ų | 95 | 127.2 Ų | 127.2 | 62% | 0.617 | 65% | 0.653 | S | S | * | * | trans | -90.2 | 132.3 | -152.7 | 33.2 | -36.7 | 0 | 0 | 0 | 116.3 | ||||
| 793 | I | 26.3 | Very low | 26.6 | Very low | 130 Ų | 130 | 129 Ų | 129 | 67% | 0.667 | 66% | 0.662 | S | S | * | * | trans | -143.2 | 105.4 | 171.7 | -50.3 | 176.9 | 0 | 0 | 0 | 105.7 | ||||
| 794 | S | 26.8 | Very low | 26.5 | Very low | 92 Ų | 92 | 129 Ų | 129 | 64% | 0.643 | 67% | 0.674 | S | S | * | * | cis | 61.7 | 92.9 | 16.1 | -167.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 795 | S | 27.8 | Very low | 26.4 | Very low | 54 Ų | 54 | 127.2 Ų | 127.2 | 38% | 0.378 | 68% | 0.675 | S | S | . | * | trans | 54.8 | 109.2 | -177.8 | -159.3 | 0 | 0 | 0 | 0 | 114.9 | N248 | N248-S795 PolarHBondContact OD1-OG 3.29Š| ||
| 796 | D | 26.8 | Very low | 26.3 | Very low | 72 Ų | 72 | 128.1 Ų | 128.1 | 39% | 0.385 | 68% | 0.678 | S | S | . | * | 164.4 | 78.1 | 126.1 | -79.7 | -6 | 0 | 0 | 0 | 112.7 | F798 K799 | D796-F798 VanDerWaalsContact C-N 3.28Å; D796-F798 WeakPolarHBondContact CB-O 3.48Å; D796-K799 HydrophobicContact CB-CD 4.47Å; D796-K799 WeakPolarHBondContact OD2-CE 3.05Å; D796-K799 IonicContact OD2-NZ 3.72Å; D796-K799 PolarHBondContact OD2-NZ 2.94Å | |||
| 797 | Y | 25.6 | Very low | 26.3 | Very low | 234 Ų | 234 | 126.5 Ų | 126.5 | 92% | 0.918 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -94.5 | 7.5 | 146.1 | -141 | -101.6 | 0 | 0 | 0 | 111.4 | ||
| 798 | F | 29.7 | Very low | 26.4 | Very low | 125 Ų | 125 | 129 Ų | 129 | 55% | 0.548 | 68% | 0.676 | S | S | . | * | trans | -74.5 | 116.2 | 148.2 | -108.1 | -98.3 | 0 | 0 | 0 | 107 | D796 | D796-F798 VanDerWaalsContact C-N 3.28Å; D796-F798 WeakPolarHBondContact CB-O 3.48Å | ||
| 799 | K | 31.2 | Very low | 26.6 | Very low | 144 Ų | 144 | 125.1 Ų | 125.1 | 63% | 0.626 | 67% | 0.672 | S | S | * | * | trans | 167.5 | -19.1 | 148.3 | -94.3 | 153.9 | -177.5 | 169.2 | 0 | 114.7 | D796 L801 | D796-K799 HydrophobicContact CB-CD 4.47Å; D796-K799 WeakPolarHBondContact OD2-CE 3.05Å; D796-K799 IonicContact OD2-NZ 3.72Å; D796-K799 PolarHBondContact OD2-NZ 2.94Å; K799-L801 VanDerWaalsContact C-N 3.32Å; K799-L801 PolarHBondContact O-N 3.12Å; K799-L801 VanDerWaalsContact O-N 3.15Å | ||
| 800 | L | 25 | Very low | 26.6 | Very low | 179 Ų | 179 | 123.4 Ų | 123.4 | 94% | 0.937 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | 43.4 | -177.1 | -149.3 | 76.4 | 0 | 0 | 0 | 115.3 | ||
| 801 | L | 25.3 | Very low | 26.8 | Very low | 143 Ų | 143 | 122.6 Ų | 122.6 | 75% | 0.749 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -145 | 16 | 165.1 | -127.6 | 158.4 | 0 | 0 | 0 | 112.4 | K799 | K799-L801 VanDerWaalsContact C-N 3.32Å; K799-L801 PolarHBondContact O-N 3.12Å; K799-L801 VanDerWaalsContact O-N 3.15Å |
| 802 | C | 24.6 | Very low | 27.1 | Very low | 109 Ų | 109 | 123.7 Ų | 123.7 | 74% | 0.736 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -149.5 | 78.3 | 170.9 | -82.5 | 0 | 0 | 0 | 0 | 108.2 | ||
| 803 | N | 25.7 | Very low | 27.4 | Very low | 160 Ų | 160 | 127.6 Ų | 127.6 | 86% | 0.856 | 68% | 0.676 | S | S | * | * | trans | 179.9 | 105.9 | 151.9 | -91.6 | -8.5 | 0 | 0 | 0 | 109.1 | ||||
| 804 | T | 23.9 | Very low | 27.6 | Very low | 103 Ų | 103 | 128.9 Ų | 128.9 | 63% | 0.632 | 68% | 0.679 | S | S | * | * | trans | -105.6 | 157.7 | 154.3 | 18.3 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 805 | T | 26.1 | Very low | 27.6 | Very low | 108 Ų | 108 | 131.8 Ų | 131.8 | 66% | 0.663 | 68% | 0.677 | S | S | * | * | trans | 65.9 | 133.1 | -173.8 | 67.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 806 | T | 27.6 | Very low | 27.7 | Very low | 83 Ų | 83 | 131.4 Ų | 131.4 | 51% | 0.509 | 67% | 0.673 | S | S | . | * | cis | -158.4 | 143.4 | -1.9 | 5.2 | 0 | 0 | 0 | 0 | 113.2 | D663 | D663-T806 HydrophobicContact CB-CG2 4.12Š| ||
| 807 | I | 28 | Very low | 27.7 | Very low | 84 Ų | 84 | 132.3 Ų | 132.3 | 43% | 0.431 | 67% | 0.674 | S | S | . | * | trans | 67 | 121.2 | 135.3 | -75.9 | 166.7 | 0 | 0 | 0 | 123.3 | D663 | D663-I807 HydrophobicContact CB-CD1 3.83Å; D663-I807 WeakPolarHBondContact OD1-CD1 3.31Å | ||
| 808 | N | 26.7 | Very low | 27.8 | Very low | 137 Ų | 137 | 126.2 Ų | 126.2 | 73% | 0.733 | 66% | 0.661 | S | S | * | * | trans | 63.8 | 143.4 | 142.2 | -72.6 | -11.3 | 0 | 0 | 0 | 125.5 | ||||
| 809 | S | 29.4 | Very low | 27.9 | Very low | 107 Ų | 107 | 124.3 Ų | 124.3 | 75% | 0.748 | 66% | 0.659 | S | S | * | * | trans | 66.2 | 144.5 | 147.5 | 58.6 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 810 | N | 26.7 | Very low | 27.8 | Very low | 147 Ų | 147 | 126.2 Ų | 126.2 | 79% | 0.786 | 67% | 0.671 | S | S | * | * | cis | 171.9 | 173.7 | -28.5 | -111.3 | -5 | 0 | 0 | 0 | 104.7 | ||||
| 811 | N | 30.5 | Very low | 28 | Very low | 129 Ų | 129 | 127.4 Ų | 127.4 | 69% | 0.69 | 67% | 0.668 | S | S | * | * | trans | 73.7 | 92.3 | 161.8 | -61.7 | -4.3 | 0 | 0 | 0 | 119.2 | ||||
| 812 | H | 29.7 | Very low | 28.1 | Very low | 163 Ų | 163 | 130.1 Ų | 130.1 | 76% | 0.755 | 67% | 0.674 | S | S | * | * | 87.6 | 156.6 | 112 | -77.3 | -31.9 | 0 | 0 | 0 | 122.9 | |||||
| 813 | H | 31.6 | Very low | 28.3 | Very low | 176 Ų | 176 | 131.2 Ų | 131.2 | 82% | 0.815 | 67% | 0.672 | S | S | * | * | trans | 70.6 | 101.6 | 169.9 | -66.4 | 18.8 | 0 | 0 | 0 | 115.3 | ||||
| 814 | H | 30.2 | Very low | 28.4 | Very low | 158 Ų | 158 | 129.8 Ų | 129.8 | 73% | 0.731 | 67% | 0.669 | S | S | * | * | cis | 93.3 | 153.9 | 25 | -150.5 | 56.8 | 0 | 0 | 0 | 114.1 | ||||
| 815 | Y | 26.7 | Very low | 29.1 | Very low | 152 Ų | 152 | 130.2 Ų | 130.2 | 60% | 0.596 | 67% | 0.668 | S | S | * | * | trans | 83.2 | 153.3 | 178.3 | -83.4 | -99 | 0 | 0 | 0 | 119.2 | R783 | R783-Y815 PolarHBondContact NH1-OH 3.33Å; R783-Y815 PolarHBondContact NH2-OH 2.7Å | ||
| 816 | P | 30.2 | Very low | 29.3 | Very low | 46 Ų | 46 | 130.4 Ų | 130.4 | 30% | 0.299 | 66% | 0.661 | S | S | . | * | -151.8 | 138.4 | -122.2 | 41.3 | -16.6 | 0 | 0 | 0 | 121.4 | R783 | R783-P816 HydrophobicContact CB-CB 4.35Š| |||
| 817 | K | 26.6 | Very low | 29.6 | Very low | 92 Ų | 92 | 136.8 Ų | 136.8 | 40% | 0.4 | 68% | 0.676 | S | S | . | * | 56.3 | 79.8 | 115.7 | -45.2 | -153.9 | -95.2 | 167.8 | 0 | 121.7 | R783 K784 S785 L786 | R783-K817 HydrophobicContact CB-CB 4.05Å; R783-K817 VanDerWaalsContact O-CD 3.25Å; R783-K817 WeakPolarHBondContact O-CD 3.48Å; R783-K817 WeakPolarHBondContact O-CE 3.3Å; R783-K817 PolarHBondContact O-NZ 2.69Å; K784-K817 VanDerWaalsContact C-C 3.49Å; K784-K817 CarbonylContact C-O 3.6Å; K784-K817 CarbonylContact O-C 3.57Å; S785-K817 WeakPolarHBondContact O-CA 3.21Å; S785-K817 WeakPolarHBondContact O-CB 3.24Å; S785-K817 VanDerWaalsContact O-CD 3.24Å; S785-K817 WeakPolarHBondContact O-CD 3.48Å; S785-K817 WeakPolarHBondContact O-CG 3.49Å; L786-K817 HydrophobicContact CB-CG 4.49Å; L786-K817 HydrophobicContact CD1-CG 4.43Å | |||
| 818 | V | 29.5 | Very low | 29.9 | Very low | 106 Ų | 106 | 143 Ų | 143 | 64% | 0.642 | 70% | 0.7 | S | S | * | * | trans | -143.6 | 124.8 | 172.6 | 175.8 | 0 | 0 | 0 | 0 | 116.4 | K784 | K784-V818 CarbonylContact O-C 3.21Å; K784-V818 WeakPolarHBondContact O-CA 3.45Å; K784-V818 PolarHBondContact O-N 3.48Å | ||
| 819 | T | 30 | Very low | 30.3 | Very low | 84 Ų | 84 | 143.1 Ų | 143.1 | 52% | 0.515 | 70% | 0.696 | S | S | . | * | trans | 35.1 | 167.8 | 158.2 | 48.9 | 0 | 0 | 0 | 0 | 126.1 | K784 | K784-T819 PolarHBondContact O-N 2.9Å; K784-T819 VanDerWaalsContact O-N 3.14Å | ||
| 820 | Q | 29.9 | Very low | 30.4 | Very low | 184 Ų | 184 | 139.7 Ų | 139.7 | 86% | 0.86 | 67% | 0.672 | S | S | * | * | trans | 66.4 | 120.6 | -178.3 | -59.8 | -176.3 | 0.2 | 0 | 0 | 115.3 | ||||
| 821 | K | 29.7 | Very low | 30.8 | Very low | 204 Ų | 204 | 140.8 Ų | 140.8 | 89% | 0.887 | 68% | 0.676 | S | S | * | * | cis | 88 | 110.4 | 13.4 | -146.7 | 176.9 | -173.2 | -179.3 | 0 | 115.3 | ||||
| 822 | K | 27.2 | Very low | 30.8 | Very low | 201 Ų | 201 | 143.8 Ų | 143.8 | 87% | 0.874 | 68% | 0.677 | S | S | * | * | trans | 77.3 | 154.4 | -166.4 | -69 | -174.7 | 174.6 | 179.5 | 0 | 115.4 | ||||
| 823 | L | 27.6 | Very low | 30.9 | Very low | 131 Ų | 131 | 141.8 Ų | 141.8 | 69% | 0.686 | 67% | 0.671 | S | S | * | * | trans | 60.6 | 80.6 | 176.7 | -70 | 117 | 0 | 0 | 0 | 119.1 | E826 | L823-E826 VanDerWaalsContact CD2-OE2 3.26Å; L823-E826 WeakPolarHBondContact CD2-OE2 3.41Å | ||
| 824 | T | 29.3 | Very low | 30.8 | Very low | 130 Ų | 130 | 139.8 Ų | 139.8 | 80% | 0.798 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -152.3 | -9 | 142.6 | 16.9 | 0 | 0 | 0 | 0 | 115.1 | E826 | T824-E826 PolarHBondContact O-N 2.94Š|
| 825 | D | 38 | Very low | 30.9 | Very low | 113 Ų | 113 | 140 Ų | 140 | 60% | 0.604 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | 5.1 | 162.5 | -99.8 | -33.6 | 0 | 0 | 0 | 112.3 | R1952 | D825-R1952 IonicContact OD1-NH1 2.68Å; D825-R1952 IonicContact OD1-NH2 3.16Å; D825-R1952 PolarHBondContact OD1-NH2 3.29Å; D825-R1952 IonicContact OD2-CZ 3.05Å; D825-R1952 IonicContact OD2-NH1 2.74Å; D825-R1952 PolarHBondContact OD2-NH1 2.99Å; D825-R1952 IonicContact OD2-NH2 3.8Å |
| 826 | E | 29.6 | Very low | 31.2 | Very low | 111 Ų | 111 | 140.8 Ų | 140.8 | 52% | 0.519 | 68% | 0.675 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -120.2 | 42.9 | 179.2 | -65.6 | -174.6 | 131.1 | 0 | 0 | 113.1 | L823 T824 S830 | L823-E826 VanDerWaalsContact CD2-OE2 3.26Å; L823-E826 WeakPolarHBondContact CD2-OE2 3.41Å; T824-E826 PolarHBondContact O-N 2.94Å; E826-S830 VanDerWaalsContact C-OG 3.24Å; E826-S830 PolarHBondContact O-OG 3.26Å |
| 827 | R | 34.2 | Very low | 31.2 | Very low | 218 Ų | 218 | 149.3 Ų | 149.3 | 82% | 0.823 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -138.1 | 8.3 | 164.3 | -123.5 | 173.8 | -173.7 | 172 | 2.1 | 117.7 | S830 | R827-S830 WeakPolarHBondContact CA-OG 3.21Š|
| 828 | K | 34.9 | Very low | 31.4 | Very low | 214 Ų | 214 | 151.8 Ų | 151.8 | 93% | 0.93 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -113.8 | 4.4 | 155.2 | -85.6 | -166 | 170.2 | -166.5 | 0 | 113.4 | ||
| 829 | Q | 35.6 | Very low | 31.3 | Very low | 139 Ų | 139 | 153.4 Ų | 153.4 | 65% | 0.65 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -125.2 | 30.8 | 175.3 | -137.2 | 162.6 | 19.7 | 0 | 0 | 111.3 | ||
| 830 | S | 30.7 | Very low | 31.2 | Very low | 35 Ų | 35 | 153.4 Ų | 153.4 | 25% | 0.245 | 73% | 0.731 | C | S | . | * | S | Bend | trans | -156.7 | 29.6 | -176.5 | 52.7 | 0 | 0 | 0 | 0 | 112.3 | E826 R827 | E826-S830 VanDerWaalsContact C-OG 3.24Å; E826-S830 PolarHBondContact O-OG 3.26Å; R827-S830 WeakPolarHBondContact CA-OG 3.21Å |
| 831 | I | 34.8 | Very low | 31.1 | Very low | 170 Ų | 170 | 154.5 Ų | 154.5 | 87% | 0.872 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -112.6 | 42.8 | 130.6 | -46.8 | -176.1 | 0 | 0 | 0 | 108.2 | ||
| 832 | R | 29.7 | Very low | 31 | Very low | 192 Ų | 192 | 152.5 Ų | 152.5 | 73% | 0.725 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -141.3 | 126.9 | 143.3 | -96.1 | 179.4 | 173.9 | 167.1 | -2.1 | 104.7 | ||
| 833 | I | 32.5 | Very low | 31.1 | Very low | 122 Ų | 122 | 149.8 Ų | 149.8 | 63% | 0.626 | 73% | 0.726 | S | S | * | * | S | Bend | trans | 69.2 | 53.3 | -179.4 | -36.7 | 177.1 | 0 | 0 | 0 | 116.1 | ||
| 834 | Q | 29.7 | Very low | 31.1 | Very low | 134 Ų | 134 | 148.6 Ų | 148.6 | 63% | 0.626 | 73% | 0.729 | S | S | * | * | trans | -175.3 | 80.2 | 139.3 | -106.6 | -168.7 | -6.7 | 0 | 0 | 106 | ||||
| 835 | N | 33.4 | Very low | 31 | Very low | 162 Ų | 162 | 147.3 Ų | 147.3 | 87% | 0.866 | 73% | 0.725 | S | S | * | * | S | Bend | cis | -48.8 | 97.4 | 35.2 | -64.8 | -13.1 | 0 | 0 | 0 | 119.7 | ||
| 836 | K | 31.4 | Very low | 30.6 | Very low | 169 Ų | 169 | 149.2 Ų | 149.2 | 74% | 0.735 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -179.9 | 113.8 | 140.7 | -104.3 | 176.4 | 179.7 | 178.3 | 0 | 106.6 | ||
| 837 | R | 31.2 | Very low | 30.5 | Very low | 224 Ų | 224 | 150.6 Ų | 150.6 | 85% | 0.845 | 75% | 0.748 | S | S | * | * | S | Bend | trans | 62.8 | 62.4 | 171 | -60.6 | -179.2 | 175 | 164.1 | -1.7 | 118.4 | ||
| 838 | I | 29.4 | Very low | 30.3 | Very low | 145 Ų | 145 | 150.1 Ų | 150.1 | 74% | 0.744 | 75% | 0.746 | S | S | * | * | -131.8 | 110 | 106.5 | -54.4 | -179.3 | 0 | 0 | 0 | 102.7 | |||||
| 839 | T | 27.7 | Very low | 30 | Very low | 139 Ų | 139 | 144.4 Ų | 144.4 | 85% | 0.853 | 74% | 0.739 | S | S | * | * | -87.1 | 119 | 55 | 45.8 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 840 | S | 28.8 | Very low | 29.7 | Very low | 84 Ų | 84 | 142.5 Ų | 142.5 | 59% | 0.587 | 74% | 0.741 | S | S | * | * | trans | -152.9 | 143.8 | 146.6 | 56.5 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 841 | K | 28.5 | Very low | 29.7 | Very low | 208 Ų | 208 | 148.2 Ų | 148.2 | 90% | 0.904 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 68.2 | 50.6 | -174.8 | -58.4 | -169.3 | 174.2 | -172.4 | 0 | 117.7 | ||
| 842 | L | 27.3 | Very low | 29.5 | Very low | 162 Ų | 162 | 143.8 Ų | 143.8 | 85% | 0.848 | 75% | 0.752 | S | S | * | * | trans | -146.1 | 127 | 134.6 | -81.8 | 175.3 | 0 | 0 | 0 | 105 | ||||
| 843 | N | 28.3 | Very low | 29.5 | Very low | 143 Ų | 143 | 144.9 Ų | 144.9 | 77% | 0.765 | 76% | 0.762 | S | S | * | * | cis | -117.1 | 157.8 | -0.1 | -72.9 | -23.3 | 0 | 0 | 0 | 111.9 | ||||
| 844 | S | 28.3 | Very low | 29.4 | Very low | 106 Ų | 106 | 142.5 Ų | 142.5 | 74% | 0.741 | 77% | 0.767 | S | S | * | * | trans | -80.9 | 159.1 | 153.9 | -70.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 845 | S | 27.2 | Very low | 29.5 | Very low | 103 Ų | 103 | 142.8 Ų | 142.8 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | S | Bend | trans | 58.5 | 127.1 | 152.1 | 55.2 | 0 | 0 | 0 | 0 | 120.9 | ||
| 846 | M | 28.1 | Very low | 29.4 | Very low | 153 Ų | 153 | 140.3 Ų | 140.3 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | trans | 64 | 93.6 | 142.5 | -66.6 | 169.2 | 47.6 | 0 | 0 | 120.1 | ||||
| 847 | V | 29.5 | Very low | 29.2 | Very low | 140 Ų | 140 | 141.7 Ų | 141.7 | 85% | 0.848 | 78% | 0.777 | S | S | * | * | -157.5 | 116.2 | 109.7 | 171 | 0 | 0 | 0 | 0 | 104.3 | |||||
| 848 | R | 28.5 | Very low | 29.2 | Very low | 209 Ų | 209 | 138.5 Ų | 138.5 | 79% | 0.789 | 78% | 0.775 | S | S | * | * | cis | 86.7 | 125.3 | 38.1 | -169.3 | -173.7 | -80 | -172.3 | -2.5 | 112.5 | ||||
| 849 | A | 29.9 | Very low | 29.1 | Very low | 93 Ų | 93 | 137.3 Ų | 137.3 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | 67.7 | 138.7 | -168.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 850 | S | 29.4 | Very low | 29.1 | Very low | 100 Ų | 100 | 137.8 Ų | 137.8 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | cis | -165.8 | 161.2 | -1.8 | -93.3 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 851 | L | 30.5 | Very low | 29.2 | Very low | 155 Ų | 155 | 140.2 Ų | 140.2 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | cis | -165.3 | 162.4 | -10.7 | -90.3 | 159.3 | 0 | 0 | 0 | 104.5 | ||||
| 852 | S | 29.4 | Very low | 29.1 | Very low | 77 Ų | 77 | 136.6 Ų | 136.6 | 54% | 0.538 | 77% | 0.768 | S | S | . | * | cis | -176.2 | 146.7 | -19.1 | 58.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 853 | K | 30 | Very low | 29.1 | Very low | 214 Ų | 214 | 133.8 Ų | 133.8 | 93% | 0.93 | 76% | 0.762 | S | S | * | * | trans | 64.6 | 143.9 | 169 | -52.4 | 163 | -176.4 | 177.5 | 0 | 112.7 | ||||
| 854 | G | 30.8 | Very low | 29.3 | Very low | 72 Ų | 72 | 136.1 Ų | 136.1 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | cis | 148.9 | 165.3 | 23.2 | 0 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 855 | V | 32 | Very low | 29.3 | Very low | 141 Ų | 141 | 138.2 Ų | 138.2 | 86% | 0.855 | 77% | 0.769 | S | S | * | * | cis | -152.2 | 149.4 | 4.7 | 173.3 | 0 | 0 | 0 | 0 | 107 | ||||
| 856 | P | 31.2 | Very low | 29.7 | Very low | 110 Ų | 110 | 137.8 Ų | 137.8 | 71% | 0.714 | 76% | 0.763 | S | S | * | * | trans | -102.8 | 172.9 | -179.8 | 38.9 | -35.2 | 0 | 0 | 0 | 115.3 | ||||
| 857 | K | 26.3 | Very low | 29.8 | Very low | 198 Ų | 198 | 138.3 Ų | 138.3 | 86% | 0.861 | 76% | 0.763 | S | S | * | * | trans | 93.7 | 171.2 | 171.9 | -59.8 | -172.4 | 174.4 | -173.7 | 0 | 117 | ||||
| 858 | I | 31.8 | Very low | 29.6 | Very low | 156 Ų | 156 | 136 Ų | 136 | 80% | 0.8 | 75% | 0.754 | S | S | * | * | trans | 80.3 | 97.7 | -167.8 | -53 | 172.2 | 0 | 0 | 0 | 110.6 | ||||
| 859 | T | 27.9 | Very low | 29.7 | Very low | 121 Ų | 121 | 135.3 Ų | 135.3 | 74% | 0.742 | 76% | 0.756 | S | S | * | * | cis | 87.6 | 104.1 | 44.6 | 71.7 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 860 | N | 27.4 | Very low | 29.6 | Very low | 149 Ų | 149 | 136.2 Ų | 136.2 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | trans | 75.4 | 165.6 | 140.7 | -151.3 | 9.4 | 0 | 0 | 0 | 119.2 | ||||
| 861 | L | 30.7 | Very low | 29.6 | Very low | 135 Ų | 135 | 138.8 Ų | 138.8 | 71% | 0.707 | 76% | 0.761 | S | S | * | * | trans | 81.3 | 97.8 | 166 | -58.5 | 171.4 | 0 | 0 | 0 | 119.7 | ||||
| 862 | N | 26.4 | Very low | 29.4 | Very low | 132 Ų | 132 | 136.7 Ų | 136.7 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | 56.6 | 115.3 | 119.5 | -64 | -1.4 | 0 | 0 | 0 | 122.2 | |||||
| 863 | S | 26.9 | Very low | 29.3 | Very low | 103 Ų | 103 | 139.2 Ų | 139.2 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | 88 | 151.5 | 123.4 | 78.9 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 864 | K | 32.5 | Very low | 29.1 | Very low | 191 Ų | 191 | 135.6 Ų | 135.6 | 83% | 0.83 | 75% | 0.753 | S | S | * | * | trans | 83.5 | 97 | 161 | -61.7 | 179.1 | -176.2 | -179.7 | 0 | 118.6 | ||||
| 865 | D | 29.1 | Very low | 28.9 | Very low | 151 Ų | 151 | 142.3 Ų | 142.3 | 81% | 0.807 | 76% | 0.757 | S | S | * | * | -22.7 | 170.2 | 120.8 | -73.1 | -65.8 | 0 | 0 | 0 | 117.1 | |||||
| 866 | P | 35 | Very low | 28.8 | Very low | 93 Ų | 93 | 140.8 Ų | 140.8 | 60% | 0.604 | 75% | 0.748 | S | S | * | * | cis | -137.5 | -163.8 | 1.9 | 16.3 | 12.5 | 0 | 0 | 0 | 114.4 | ||||
| 867 | H | 30.9 | Very low | 28.7 | Very low | 164 Ų | 164 | 141.3 Ų | 141.3 | 76% | 0.759 | 74% | 0.744 | S | S | * | * | trans | 83.8 | 97 | 142 | -71.8 | -44.8 | 0 | 0 | 0 | 122.6 | ||||
| 868 | S | 25.7 | Very low | 28.9 | Very low | 92 Ų | 92 | 138.1 Ų | 138.1 | 64% | 0.643 | 74% | 0.736 | S | S | * | * | 72.3 | 162.4 | 113.6 | 81.5 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 869 | K | 30.3 | Very low | 28.7 | Very low | 194 Ų | 194 | 139 Ų | 139 | 84% | 0.843 | 74% | 0.737 | S | S | * | * | trans | 72.8 | 110.4 | 178.3 | -56.8 | 172.3 | -175.4 | 174.6 | 0 | 112 | ||||
| 870 | S | 27.3 | Very low | 28.8 | Very low | 112 Ų | 112 | 137.5 Ų | 137.5 | 78% | 0.783 | 74% | 0.737 | S | S | * | * | 98.2 | 177.7 | 79.8 | -167.3 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 871 | I | 29.4 | Very low | 28.9 | Very low | 155 Ų | 155 | 140.8 Ų | 140.8 | 80% | 0.795 | 74% | 0.74 | S | S | * | * | trans | 75.5 | 86.7 | 175.8 | -53.2 | 174.1 | 0 | 0 | 0 | 113.4 | ||||
| 872 | T | 26.7 | Very low | 28.9 | Very low | 111 Ų | 111 | 141 Ų | 141 | 68% | 0.681 | 74% | 0.742 | S | S | * | * | trans | -34.6 | 162.9 | 142.6 | -21.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 873 | D | 27.4 | Very low | 29.1 | Very low | 129 Ų | 129 | 140.3 Ų | 140.3 | 69% | 0.69 | 74% | 0.744 | S | S | * | * | trans | 81.1 | 101.8 | 158.5 | -54.8 | -44.6 | 0 | 0 | 0 | 120.5 | ||||
| 874 | L | 25 | Very low | 29.1 | Very low | 138 Ų | 138 | 140.5 Ų | 140.5 | 72% | 0.723 | 75% | 0.746 | S | S | * | * | 46.5 | 96.6 | 122.5 | -69.2 | 166.2 | 0 | 0 | 0 | 120.5 | |||||
| 875 | Y | 27.2 | Very low | 29.1 | Very low | 214 Ų | 214 | 139 Ų | 139 | 84% | 0.839 | 75% | 0.745 | S | S | * | * | trans | -138.2 | 114.4 | 134.8 | -94 | -89.2 | 0 | 0 | 0 | 107.9 | I877 | Y875-I877 HydrophobicContact CD1-CD1 4.18Å; Y875-I877 HydrophobicContact CE1-CD1 4.36Å | ||
| 876 | T | 29.5 | Very low | 29 | Very low | 108 Ų | 108 | 138.3 Ų | 138.3 | 66% | 0.663 | 74% | 0.742 | S | S | * | * | cis | 82.3 | 144.5 | 36.4 | -47.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 877 | I | 29.4 | Very low | 28.6 | Very low | 121 Ų | 121 | 138.9 Ų | 138.9 | 62% | 0.621 | 74% | 0.743 | S | S | * | * | trans | 111.3 | 80.5 | 165.5 | -55.6 | 165.1 | 0 | 0 | 0 | 115.2 | Y875 | Y875-I877 HydrophobicContact CD1-CD1 4.18Å; Y875-I877 HydrophobicContact CE1-CD1 4.36Å | ||
| 878 | N | 29.5 | Very low | 28.5 | Very low | 131 Ų | 131 | 139.6 Ų | 139.6 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | 169.3 | 134 | 113.4 | -88.3 | -30.9 | 0 | 0 | 0 | 112.3 | |||||
| 879 | Q | 29.1 | Very low | 28.7 | Very low | 174 Ų | 174 | 142 Ų | 142 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | cis | -168.1 | 119.8 | -17.3 | -141.7 | -178.8 | 59.3 | 0 | 0 | 109.5 | ||||
| 880 | A | 29.8 | Very low | 28.6 | Very low | 91 Ų | 91 | 141 Ų | 141 | 75% | 0.752 | 75% | 0.748 | S | S | * | * | trans | 179.4 | 93.8 | 154.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 881 | Y | 28.9 | Very low | 29 | Very low | 217 Ų | 217 | 140.7 Ų | 140.7 | 85% | 0.851 | 74% | 0.743 | S | S | * | * | trans | 62.6 | 118.3 | 148.2 | -77.9 | -88.7 | 0 | 0 | 0 | 124 | ||||
| 882 | N | 30.3 | Very low | 29.2 | Very low | 140 Ų | 140 | 138 Ų | 138 | 75% | 0.749 | 74% | 0.735 | S | S | * | * | trans | 72.4 | 96 | 142.2 | -69.6 | 10.8 | 0 | 0 | 0 | 122.3 | ||||
| 883 | P | 30.2 | Very low | 29.5 | Very low | 117 Ų | 117 | 140.1 Ų | 140.1 | 76% | 0.76 | 74% | 0.742 | S | S | * | * | trans | -100.7 | -167 | 151.8 | 41 | -33.3 | 0 | 0 | 0 | 112.6 | ||||
| 884 | S | 27.8 | Very low | 29.5 | Very low | 108 Ų | 108 | 138 Ų | 138 | 76% | 0.755 | 74% | 0.736 | S | S | * | * | trans | 75.8 | 112.2 | 163.4 | 66.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 885 | I | 32.5 | Very low | 29.5 | Very low | 159 Ų | 159 | 140.9 Ų | 140.9 | 82% | 0.815 | 74% | 0.743 | S | S | * | * | -173.9 | 106.1 | 128.1 | -90 | 158.4 | 0 | 0 | 0 | 103.3 | |||||
| 886 | D | 26.9 | Very low | 29.6 | Very low | 137 Ų | 137 | 139.4 Ų | 139.4 | 73% | 0.733 | 74% | 0.744 | S | S | * | * | 70.8 | 133.8 | 80.8 | -96.7 | -41.4 | 0 | 0 | 0 | 116 | |||||
| 887 | T | 26.9 | Very low | 29.4 | Very low | 105 Ų | 105 | 142.9 Ų | 142.9 | 64% | 0.644 | 75% | 0.75 | S | S | * | * | trans | 43.8 | 113.8 | 160.5 | 55.6 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 888 | F | 29.3 | Very low | 29.3 | Very low | 179 Ų | 179 | 144.1 Ų | 144.1 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | 176.1 | 151.2 | 92.6 | -101.4 | -68.1 | 0 | 0 | 0 | 114.7 | |||||
| 889 | L | 30.4 | Very low | 29 | Very low | 141 Ų | 141 | 146.3 Ų | 146.3 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | trans | 44 | 115.1 | 156.5 | -68.6 | 147.7 | 0 | 0 | 0 | 119.4 | ||||
| 890 | H | 28.3 | Very low | 28.8 | Very low | 175 Ų | 175 | 144.5 Ų | 144.5 | 81% | 0.81 | 76% | 0.757 | S | S | * | * | 88.1 | 155 | 71.6 | -97.1 | -126.4 | 0 | 0 | 0 | 115.2 | |||||
| 891 | P | 35.5 | Very low | 28.6 | Very low | 105 Ų | 105 | 148.7 Ų | 148.7 | 68% | 0.682 | 76% | 0.758 | S | S | * | * | trans | -125.4 | -125.3 | -141 | 34.1 | -8.6 | 0 | 0 | 0 | 108.4 | ||||
| 892 | P | 33.3 | Very low | 28.4 | Very low | 98 Ų | 98 | 144.9 Ų | 144.9 | 64% | 0.636 | 75% | 0.752 | S | S | * | * | cis | -126.8 | -168.1 | -30.9 | 31.2 | -9.4 | 0 | 0 | 0 | 112.9 | ||||
| 893 | L | 33 | Very low | 28.1 | Very low | 156 Ų | 156 | 143 Ų | 143 | 82% | 0.817 | 75% | 0.749 | S | S | * | * | trans | 140 | 136.4 | 134.2 | -73.4 | 170.2 | 0 | 0 | 0 | 111.2 | ||||
| 894 | S | 26.6 | Very low | 27.9 | Very low | 83 Ų | 83 | 145.4 Ų | 145.4 | 58% | 0.58 | 75% | 0.75 | S | S | * | * | 167.1 | 136.6 | -54.8 | 58.8 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 895 | K | 26.4 | Very low | 27.7 | Very low | 199 Ų | 199 | 143.9 Ų | 143.9 | 87% | 0.865 | 74% | 0.74 | S | S | * | * | trans | 51.7 | 89.4 | 149.6 | -62.1 | 176.6 | 177 | 179 | 0 | 118.6 | ||||
| 896 | Q | 27.9 | Very low | 27.2 | Very low | 184 Ų | 184 | 141 Ų | 141 | 86% | 0.86 | 73% | 0.733 | S | S | * | * | trans | -173.2 | 136.9 | 136 | -100.4 | 172.6 | 21.7 | 0 | 0 | 106.5 | ||||
| 897 | F | 26.4 | Very low | 27.2 | Very low | 180 Ų | 180 | 138.7 Ų | 138.7 | 79% | 0.789 | 72% | 0.723 | S | S | * | * | cis | -127.6 | 161.6 | 0 | -126.6 | -93.3 | 0 | 0 | 0 | 110.3 | ||||
| 898 | N | 25.5 | Very low | 27.1 | Very low | 148 Ų | 148 | 138.6 Ų | 138.6 | 79% | 0.791 | 72% | 0.716 | S | S | * | * | trans | -147.2 | 142.5 | 173.5 | -158 | -13.9 | 0 | 0 | 0 | 108.9 | ||||
| 899 | K | 24.3 | Very low | 27 | Very low | 176 Ų | 176 | 134.6 Ų | 134.6 | 77% | 0.765 | 70% | 0.702 | S | S | * | * | trans | 76.3 | 160.1 | -173.5 | -52.7 | -176.3 | 172.1 | -173.2 | 0 | 117.9 | ||||
| 900 | L | 24.7 | Very low | 27.2 | Very low | 137 Ų | 137 | 130.8 Ų | 130.8 | 72% | 0.717 | 69% | 0.686 | S | S | * | * | trans | 68.8 | 126.6 | -174.2 | -67.9 | 79.4 | 0 | 0 | 0 | 113.5 | ||||
| 901 | F | 25.4 | Very low | 27.3 | Very low | 178 Ų | 178 | 128.5 Ų | 128.5 | 78% | 0.781 | 68% | 0.68 | S | S | * | * | cis | -122.5 | 157.8 | -9.3 | -81.4 | -99.5 | 0 | 0 | 0 | 107.9 | ||||
| 902 | I | 24.7 | Very low | 26.9 | Very low | 138 Ų | 138 | 127.8 Ų | 127.8 | 71% | 0.708 | 67% | 0.674 | S | S | * | * | cis | 76.5 | 102.3 | 33.1 | -57.5 | -177.5 | 0 | 0 | 0 | 115.5 | ||||
| 903 | S | 23.9 | Very low | 26.8 | Very low | 101 Ų | 101 | 131.8 Ų | 131.8 | 71% | 0.706 | 68% | 0.683 | S | S | * | * | trans | 72.7 | 166 | 156.2 | 80.5 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 904 | Q | 26 | Very low | 26.7 | Very low | 166 Ų | 166 | 132.7 Ų | 132.7 | 78% | 0.776 | 68% | 0.684 | S | S | * | * | trans | 65.4 | 116.5 | 180 | -59.2 | 177.6 | -7.1 | 0 | 0 | 114.2 | ||||
| 905 | S | 23.3 | Very low | 26.9 | Very low | 76 Ų | 76 | 136.4 Ų | 136.4 | 53% | 0.531 | 70% | 0.696 | S | S | . | * | 75.2 | 147.8 | 51.2 | 75.8 | 0 | 0 | 0 | 0 | 114 | |||||
| 906 | C | 23.6 | Very low | 27 | Very low | 99 Ų | 99 | 133.7 Ų | 133.7 | 67% | 0.669 | 69% | 0.691 | S | S | * | * | trans | 76.9 | 101.8 | 178.6 | -53.7 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 907 | T | 25.3 | Very low | 27.1 | Very low | 88 Ų | 88 | 133.8 Ų | 133.8 | 54% | 0.54 | 69% | 0.689 | S | S | . | * | 46.9 | 112.8 | 122.2 | 43.9 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 908 | E | 25.1 | Very low | 27.1 | Very low | 103 Ų | 103 | 134.1 Ų | 134.1 | 48% | 0.481 | 69% | 0.69 | S | S | . | * | 91.9 | 149.4 | 120.7 | -64.4 | 169 | 124.7 | 0 | 0 | 124.4 | S1363 S1364 | E908-S1363 WeakPolarHBondContact OE2-CB 3.41Å; E908-S1364 WeakPolarHBondContact CB-OG 3.34Å; E908-S1364 VanDerWaalsContact CD-N 3.31Å; E908-S1364 WeakPolarHBondContact CG-OG 3.36Å; E908-S1364 WeakPolarHBondContact OE1-CB 3.46Å; E908-S1364 PolarHBondContact OE1-N 2.85Å; E908-S1364 PolarHBondContact OE1-OG 3.38Å; E908-S1364 VanDerWaalsContact OE2-CB 3.23Å; E908-S1364 WeakPolarHBondContact OE2-CB 3.46Å; E908-S1364 PolarHBondContact OE2-N 3.34Å; E908-S1364 PolarHBondContact OE2-OG 2.85Å | |||
| 909 | L | 27.6 | Very low | 27.3 | Very low | 96 Ų | 96 | 133.5 Ų | 133.5 | 50% | 0.503 | 70% | 0.696 | S | S | . | * | trans | 74 | 159.6 | 154.7 | -81.2 | -153.8 | 0 | 0 | 0 | 121.9 | S1364 T1366 | L909-S1364 WeakPolarHBondContact CG-OG 3.44Å; L909-T1366 HydrophobicContact CD1-CG2 3.97Å; L909-T1366 HydrophobicContact CD2-CG2 3.82Å; L909-T1366 WeakPolarHBondContact CD2-OG1 3.2Å | ||
| 910 | P | 34.9 | Very low | 27.3 | Very low | 61 Ų | 61 | 135.6 Ų | 135.6 | 40% | 0.396 | 70% | 0.699 | S | S | . | * | -126.6 | 164.8 | -128.9 | 42.9 | -29.7 | 0 | 0 | 0 | 114.8 | T1366 | P910-T1366 HydrophobicContact CG-CG2 4.17Š| |||
| 911 | N | 29.1 | Very low | 27.4 | Very low | 127 Ų | 127 | 136.5 Ų | 136.5 | 68% | 0.679 | 70% | 0.703 | S | S | * | * | -162.9 | 161.5 | 122.4 | -115.9 | -52.5 | 0 | 0 | 0 | 115.6 | |||||
| 912 | T | 28.9 | Very low | 27.5 | Very low | 90 Ų | 90 | 137.5 Ų | 137.5 | 55% | 0.552 | 71% | 0.71 | S | S | * | * | trans | -71.4 | 137.5 | 171.2 | 52.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 913 | Q | 30 | Very low | 27.5 | Very low | 181 Ų | 181 | 140.5 Ų | 140.5 | 85% | 0.846 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -170 | -25.8 | 135.6 | -109.1 | 171.8 | 43.7 | 0 | 0 | 116.2 | ||
| 914 | Q | 31.2 | Very low | 27.6 | Very low | 175 Ų | 175 | 142.4 Ų | 142.4 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -97.4 | -29.9 | -168.8 | -64.7 | -160.9 | 2.9 | 0 | 0 | 117.4 | N916 | Q914-N916 VanDerWaalsContact C-N 3.31Å; Q914-N916 PolarHBondContact O-N 3.19Å |
| 915 | L | 29.9 | Very low | 27.6 | Very low | 161 Ų | 161 | 144 Ų | 144 | 84% | 0.843 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -70.8 | -22.3 | -179 | -113.9 | 74.4 | 0 | 0 | 0 | 114.4 | K917 F918 | L915-K917 PolarHBondContact O-N 3.42Å; L915-F918 PolarHBondContact O-N 2.86Å |
| 916 | N | 29.8 | Very low | 27.8 | Very low | 143 Ų | 143 | 147.6 Ų | 147.6 | 77% | 0.765 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -68.9 | 15.9 | 178.1 | -102.3 | -39.7 | 0 | 0 | 0 | 114.7 | Q914 | Q914-N916 VanDerWaalsContact C-N 3.31Å; Q914-N916 PolarHBondContact O-N 3.19Å |
| 917 | K | 28.9 | Very low | 27.9 | Very low | 185 Ų | 185 | 145.9 Ų | 145.9 | 80% | 0.804 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -114.5 | -11.1 | 178.4 | -149.9 | 175.2 | -178.5 | -175.7 | 0 | 113.7 | L915 | L915-K917 PolarHBondContact O-N 3.42Š|
| 918 | F | 26.4 | Very low | 28 | Very low | 187 Ų | 187 | 152 Ų | 152 | 82% | 0.82 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | -34.2 | -176.8 | -131.5 | -98.6 | 0 | 0 | 0 | 114.2 | L915 R920 | L915-F918 PolarHBondContact O-N 2.86Å; F918-R920 PolarHBondContact O-N 3.15Å |
| 919 | C | 29.4 | Very low | 28.2 | Very low | 135 Ų | 135 | 156.8 Ų | 156.8 | 91% | 0.912 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | 38 | -179.5 | -64.6 | 0 | 0 | 0 | 0 | 114.9 | ||
| 920 | R | 26 | Very low | 28.3 | Very low | 221 Ų | 221 | 155 Ų | 155 | 83% | 0.834 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.4 | -1.4 | 177.8 | -105.5 | 177.7 | 175.1 | 141.5 | -0.3 | 116.1 | F918 | F918-R920 PolarHBondContact O-N 3.15Š|
| 921 | I | 26.2 | Very low | 28.1 | Very low | 155 Ų | 155 | 159.9 Ų | 159.9 | 80% | 0.795 | 77% | 0.774 | S | S | * | * | trans | -140.5 | 90.6 | 174 | -54.3 | 173.2 | 0 | 0 | 0 | 110.3 | ||||
| 922 | Q | 27.2 | Very low | 28.2 | Very low | 199 Ų | 199 | 160.6 Ų | 160.6 | 93% | 0.93 | 78% | 0.778 | S | S | * | * | trans | -160 | 62.4 | 153.8 | -88.6 | -125.4 | 3 | 0 | 0 | 109.4 | ||||
| 923 | K | 25.6 | Very low | 28.2 | Very low | 202 Ų | 202 | 164.3 Ų | 164.3 | 88% | 0.878 | 79% | 0.789 | S | S | * | * | trans | -119.3 | 119 | 165.9 | -103.8 | 178.3 | 177.5 | 168.7 | 0 | 108.7 | ||||
| 924 | V | 25.9 | Very low | 28.1 | Very low | 140 Ų | 140 | 161 Ų | 161 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | S | Bend | trans | 70.7 | 103.9 | 175.3 | -168.5 | 0 | 0 | 0 | 0 | 115.3 | ||
| 925 | K | 25.4 | Very low | 28 | Very low | 200 Ų | 200 | 157.4 Ų | 157.4 | 87% | 0.87 | 78% | 0.78 | S | S | * | * | trans | 167.9 | 85.7 | 134.7 | -96.1 | -177.2 | 174.6 | -169.4 | 0 | 113.4 | ||||
| 926 | I | 27.4 | Very low | 28 | Very low | 152 Ų | 152 | 156.6 Ų | 156.6 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | -145.4 | 136.2 | 129.5 | -35.5 | 179.3 | 0 | 0 | 0 | 102.1 | |||||
| 927 | L | 26.4 | Very low | 28 | Very low | 63 Ų | 63 | 159 Ų | 159 | 33% | 0.33 | 78% | 0.783 | S | S | . | * | S | Bend | cis | -111.9 | 131.8 | 11.4 | -50.8 | 101.3 | 0 | 0 | 0 | 114.5 | D1010 D1011 | L927-D1010 HydrophobicContact CD2-CB 4.14Å; L927-D1010 VanDerWaalsContact CD2-OD1 3.29Å; L927-D1010 WeakPolarHBondContact CD2-OD1 3.36Å; L927-D1011 HydrophobicContact CD1-CB 3.87Å; L927-D1011 HydrophobicContact CD2-CB 4.03Å; L927-D1011 VanDerWaalsContact CD2-N 3.27Å; L927-D1011 VanDerWaalsContact CD2-O 3.32Å; L927-D1011 WeakPolarHBondContact CD2-O 3.4Å; L927-D1011 HydrophobicContact CG-CB 4.41Å |
| 928 | R | 27.3 | Very low | 28.1 | Very low | 215 Ų | 215 | 155.6 Ų | 155.6 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | trans | -157.5 | 104.4 | 141 | -84.9 | -157.6 | 173.5 | -162 | -8.5 | 106.8 | ||||
| 929 | R | 28.6 | Very low | 28.2 | Very low | 205 Ų | 205 | 154.9 Ų | 154.9 | 77% | 0.774 | 78% | 0.779 | S | S | * | * | trans | -67.5 | 156 | 167.3 | -62.9 | -170.8 | -167.3 | -153.2 | 12.1 | 110.3 | D1012 | R929-D1012 IonicContact CZ-OD2 3.28Å; R929-D1012 IonicContact NE-OD2 2.74Å; R929-D1012 IonicContact NH2-OD2 3.51Å; R929-D1012 PolarHBondContact NH2-OD2 3.35Å | ||
| 930 | G | 29.5 | Very low | 28.1 | Very low | 58 Ų | 58 | 155.7 Ų | 155.7 | 60% | 0.598 | 77% | 0.771 | S | S | * | * | trans | 73.8 | 133.1 | 165.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 931 | E | 30.6 | Very low | 28.1 | Very low | 164 Ų | 164 | 153 Ų | 153 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | cis | -165 | 156.3 | -14.8 | -126.6 | 122 | -124 | 0 | 0 | 106.3 | ||||
| 932 | D | 30.9 | Very low | 28.2 | Very low | 141 Ų | 141 | 152.7 Ų | 152.7 | 75% | 0.754 | 76% | 0.763 | S | S | * | * | trans | 57 | 157.9 | 146.5 | -58.1 | -5.3 | 0 | 0 | 0 | 121.7 | ||||
| 933 | E | 28.6 | Very low | 28.2 | Very low | 168 Ų | 168 | 149.2 Ų | 149.2 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | cis | -161.8 | 172.9 | -44.5 | -141.9 | -169.8 | -155.4 | 0 | 0 | 107 | ||||
| 934 | S | 29.2 | Very low | 28.5 | Very low | 111 Ų | 111 | 148.7 Ų | 148.7 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | trans | 64.2 | 152.5 | 169.8 | 78.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 935 | S | 29.7 | Very low | 28.6 | Very low | 100 Ų | 100 | 148.4 Ų | 148.4 | 70% | 0.699 | 74% | 0.743 | S | S | * | * | cis | -156.4 | 148.9 | -20.4 | 45.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 936 | N | 29.4 | Very low | 28.9 | Very low | 145 Ų | 145 | 149.4 Ų | 149.4 | 78% | 0.775 | 74% | 0.743 | S | S | * | * | trans | -4.2 | 130.2 | 154.4 | -49.9 | -22 | 0 | 0 | 0 | 118.3 | ||||
| 937 | Q | 29.2 | Very low | 29.1 | Very low | 192 Ų | 192 | 145.4 Ų | 145.4 | 90% | 0.897 | 73% | 0.732 | S | S | * | * | -172.4 | 134.8 | 96.9 | -102 | -179 | -25.6 | 0 | 0 | 112.2 | |||||
| 938 | P | 31.2 | Very low | 29.3 | Very low | 114 Ų | 114 | 151.1 Ų | 151.1 | 74% | 0.74 | 75% | 0.754 | S | S | * | * | trans | -109.4 | 148.8 | 163.9 | 37.2 | -28.3 | 0 | 0 | 0 | 111.9 | ||||
| 939 | E | 27.8 | Very low | 29.3 | Very low | 173 Ų | 173 | 148.2 Ų | 148.2 | 81% | 0.808 | 75% | 0.748 | S | S | * | * | trans | -169.9 | 160.3 | 144.2 | -114.7 | 168.9 | -151.9 | 0 | 0 | 114.6 | ||||
| 940 | M | 29.1 | Very low | 29.4 | Very low | 152 Ų | 152 | 143 Ų | 143 | 75% | 0.749 | 74% | 0.735 | S | S | * | * | trans | 36.9 | 105.1 | 159.7 | -65.4 | -172.9 | -74.5 | 0 | 0 | 122.7 | ||||
| 941 | E | 25.8 | Very low | 29.4 | Very low | 165 Ų | 165 | 148.5 Ų | 148.5 | 77% | 0.771 | 74% | 0.742 | S | S | * | * | 55 | 159.8 | 101.2 | -121.9 | 178.5 | -117.8 | 0 | 0 | 124.6 | |||||
| 942 | Q | 27.8 | Very low | 29.2 | Very low | 148 Ų | 148 | 147.6 Ų | 147.6 | 69% | 0.692 | 74% | 0.742 | S | S | * | * | trans | 78 | 107 | 160.5 | -69 | 167.9 | 37 | 0 | 0 | 120.5 | ||||
| 943 | D | 27.6 | Very low | 29.1 | Very low | 125 Ų | 125 | 146.5 Ų | 146.5 | 67% | 0.668 | 74% | 0.743 | S | S | * | * | trans | 51.9 | 126.6 | 131.4 | -61.8 | -14.5 | 0 | 0 | 0 | 122.1 | ||||
| 944 | F | 30.6 | Very low | 29 | Very low | 191 Ų | 191 | 143.7 Ų | 143.7 | 84% | 0.838 | 74% | 0.737 | S | S | * | * | -161 | 150.5 | 84.5 | -116.2 | -88.8 | 0 | 0 | 0 | 113.4 | |||||
| 945 | N | 28.9 | Very low | 28.9 | Very low | 135 Ų | 135 | 145.7 Ų | 145.7 | 72% | 0.722 | 74% | 0.737 | S | S | * | * | trans | -78.4 | 158.5 | 173.6 | -78.9 | -76.5 | 0 | 0 | 0 | 112 | ||||
| 946 | Y | 31.4 | Very low | 28.6 | Very low | 221 Ų | 221 | 145.1 Ų | 145.1 | 87% | 0.867 | 73% | 0.732 | S | S | * | * | 175.9 | 139.1 | 127.1 | -105.1 | -82.4 | 0 | 0 | 0 | 110.2 | |||||
| 947 | A | 32 | Very low | 28.5 | Very low | 67 Ų | 67 | 144.7 Ų | 144.7 | 55% | 0.554 | 73% | 0.73 | S | S | * | * | cis | -168.2 | 173.3 | -33.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 948 | K | 29.3 | Very low | 28.3 | Very low | 183 Ų | 183 | 144.2 Ų | 144.2 | 80% | 0.796 | 73% | 0.728 | S | S | * | * | trans | 72.2 | 144.6 | 163.2 | -59.2 | 173.3 | -178.2 | 172.7 | 0 | 115.2 | ||||
| 949 | K | 28.9 | Very low | 28 | Very low | 155 Ų | 155 | 143.2 Ų | 143.2 | 67% | 0.674 | 72% | 0.721 | S | S | * | * | cis | -164.5 | 159.7 | -7.7 | -106.8 | 172.9 | 160.7 | -69.7 | 0 | 106.2 | ||||
| 950 | D | 29.9 | Very low | 27.8 | Very low | 94 Ų | 94 | 141 Ų | 141 | 50% | 0.503 | 72% | 0.72 | S | S | . | * | cis | -157.6 | 147.5 | 3.9 | -113.6 | -38.6 | 0 | 0 | 0 | 107.5 | ||||
| 951 | K | 29.3 | Very low | 27.6 | Very low | 174 Ų | 174 | 139 Ų | 139 | 76% | 0.757 | 72% | 0.721 | S | S | * | * | trans | 65 | 128.7 | 144.9 | -64.9 | 170.9 | -172.5 | -176 | 0 | 119.5 | ||||
| 952 | L | 26.7 | Very low | 27.5 | Very low | 146 Ų | 146 | 136.5 Ų | 136.5 | 76% | 0.764 | 71% | 0.705 | S | S | * | * | cis | 62.9 | 141.4 | 14.9 | -62.1 | 172.9 | 0 | 0 | 0 | 115.4 | V954 | L952-V954 HydrophobicContact CD2-CG2 3.91Š| ||
| 953 | P | 29.2 | Very low | 27.4 | Very low | 117 Ų | 117 | 137.3 Ų | 137.3 | 76% | 0.76 | 71% | 0.709 | S | S | * | * | cis | -118.7 | 164.4 | 34.2 | 16 | 9 | 0 | 0 | 0 | 115.2 | ||||
| 954 | V | 25.9 | Very low | 27.3 | Very low | 110 Ų | 110 | 135.2 Ų | 135.2 | 67% | 0.667 | 70% | 0.697 | S | S | * | * | cis | 80.8 | 146.8 | 47 | -169.1 | 0 | 0 | 0 | 0 | 114.6 | L952 | L952-V954 HydrophobicContact CD2-CG2 3.91Š| ||
| 955 | I | 26.5 | Very low | 27 | Very low | 152 Ų | 152 | 132.5 Ų | 132.5 | 78% | 0.779 | 69% | 0.691 | S | S | * | * | trans | 103.3 | 123 | 166.9 | -56.4 | 176.9 | 0 | 0 | 0 | 114.3 | ||||
| 956 | C | 24.9 | Very low | 26.8 | Very low | 89 Ų | 89 | 129.9 Ų | 129.9 | 60% | 0.601 | 68% | 0.683 | S | S | * | * | cis | -162.3 | 155.5 | -14.3 | -114.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 957 | D | 25.9 | Very low | 26.4 | Very low | 136 Ų | 136 | 121.6 Ų | 121.6 | 73% | 0.727 | 66% | 0.658 | S | S | * | * | trans | 63.7 | 149.5 | 137.9 | -59.2 | -31.2 | 0 | 0 | 0 | 126.4 | ||||
| 958 | Q | 25.7 | Very low | 26 | Very low | 181 Ų | 181 | 120.6 Ų | 120.6 | 85% | 0.846 | 65% | 0.647 | S | S | * | * | trans | 82.5 | 148.6 | 162.4 | -63.9 | -67.9 | -48.9 | 0 | 0 | 119.4 | ||||
| 959 | P | 25.5 | Very low | 25.8 | Very low | 93 Ų | 93 | 118.7 Ų | 118.7 | 60% | 0.604 | 65% | 0.645 | S | S | * | * | trans | -124.7 | -170 | -152.7 | 44.8 | -30.5 | 0 | 0 | 0 | 114.1 | ||||
| 960 | T | 23 | Very low | 25.6 | Very low | 126 Ų | 126 | 116.6 Ų | 116.6 | 77% | 0.773 | 65% | 0.645 | S | S | * | * | trans | 60.7 | 120.3 | 173.5 | 55.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 961 | S | 24.7 | Very low | 25.2 | Very low | 111 Ų | 111 | 116.7 Ų | 116.7 | 78% | 0.776 | 65% | 0.653 | S | S | * | * | -168.2 | -177.6 | 59.3 | 45 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 962 | Y | 23.6 | Very low | 25 | Very low | 113 Ų | 113 | 115.7 Ų | 115.7 | 44% | 0.443 | 66% | 0.656 | S | S | . | * | trans | -72.3 | 127.6 | -178 | -77.1 | -110.6 | 0 | 0 | 0 | 112.2 | S1367 | Y962-S1367 WeakPolarHBondContact CB-OG 3.48Š| ||
| 963 | Q | 25.3 | Very low | 24.9 | Very low | 164 Ų | 164 | 112.1 Ų | 112.1 | 77% | 0.766 | 65% | 0.647 | S | S | * | * | trans | -133.4 | 141.1 | 160.5 | -71.4 | -176.5 | -43.8 | 0 | 0 | 109.1 | ||||
| 964 | L | 26.6 | Very low | 24.6 | Very low | 82 Ų | 82 | 111 Ų | 111 | 43% | 0.429 | 64% | 0.642 | S | S | . | * | trans | -80.9 | 142.4 | 158.4 | -73.2 | 83.1 | 0 | 0 | 0 | 107.8 | S1369 L1370 | L964-S1369 PolarHBondContact N-OG 2.87Å; L964-L1370 HydrophobicContact CD2-CD1 4.34Å; L964-L1370 HydrophobicContact CD2-CD2 3.79Å; L964-L1370 HydrophobicContact CD2-CG 3.88Å | ||
| 965 | L | 24.4 | Very low | 24.8 | Very low | 133 Ų | 133 | 110.6 Ų | 110.6 | 70% | 0.696 | 64% | 0.641 | S | S | * | * | trans | -133.5 | 138.2 | 161.2 | -91.1 | 170.4 | 0 | 0 | 0 | 109.9 | P1280 | L965-P1280 HydrophobicContact CD2-CB 4.46Å; L965-P1280 HydrophobicContact CD2-CG 3.66Å | ||
| 966 | S | 23.6 | Very low | 24.6 | Very low | 81 Ų | 81 | 107.3 Ų | 107.3 | 57% | 0.566 | 62% | 0.623 | S | S | * | * | trans | -84.8 | -173.6 | 171.7 | 37.6 | 0 | 0 | 0 | 0 | 111.4 | P1280 | S966-P1280 WeakPolarHBondContact OG-CB 3.47Å; S966-P1280 WeakPolarHBondContact OG-CG 3.49Å | ||
| 967 | S | 23.6 | Very low | 24.7 | Very low | 47 Ų | 47 | 110.3 Ų | 110.3 | 33% | 0.329 | 64% | 0.638 | S | S | . | * | trans | 78.3 | 153.1 | 157.5 | 82.5 | 0 | 0 | 0 | 0 | 121.9 | D1279 P1280 | S967-D1279 PolarHBondContact OG-OD1 3.38Å; S967-P1280 WeakPolarHBondContact OG-CD 3.27Å | ||
| 968 | S | 23.3 | Very low | 24.7 | Very low | 46 Ų | 46 | 106.3 Ų | 106.3 | 32% | 0.322 | 61% | 0.614 | S | S | . | * | trans | 52.2 | 96.8 | 144.8 | 52 | 0 | 0 | 0 | 0 | 120 | D1279 | S968-D1279 VanDerWaalsContact CB-OD1 3.26Å; S968-D1279 WeakPolarHBondContact CB-OD1 3.49Å; S968-D1279 PolarHBondContact OG-OD1 3.49Å | ||
| 969 | N | 26.3 | Very low | 24.6 | Very low | 143 Ų | 143 | 102 Ų | 102 | 77% | 0.765 | 60% | 0.597 | S | S | * | * | 165 | 137.5 | 114.3 | -91.4 | -70 | 0 | 0 | 0 | 112.6 | |||||
| 970 | T | 24.1 | Very low | 24.7 | Very low | 111 Ų | 111 | 100.8 Ų | 100.8 | 68% | 0.681 | 59% | 0.585 | S | S | * | * | cis | -164.4 | 145 | -26.1 | 5.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 971 | S | 22.2 | Very low | 24.9 | Very low | 95 Ų | 95 | 96.1 Ų | 96.1 | 66% | 0.664 | 56% | 0.555 | S | S | * | * | trans | 49.2 | 116.6 | 164.2 | 66.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 972 | L | 25.3 | Very low | 25 | Very low | 154 Ų | 154 | 93.9 Ų | 93.9 | 81% | 0.806 | 53% | 0.532 | S | S | * | . | 168 | 139.8 | 123.5 | -90.8 | 159.7 | 0 | 0 | 0 | 111.3 | |||||
| 973 | A | 23.4 | Very low | 25.1 | Very low | 71 Ų | 71 | 92.2 Ų | 92.2 | 59% | 0.587 | 53% | 0.529 | S | S | * | . | trans | -95.6 | 150 | -167.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 974 | S | 23.2 | Very low | 25.2 | Very low | 92 Ų | 92 | 91.6 Ų | 91.6 | 64% | 0.643 | 53% | 0.531 | S | S | * | . | trans | 65.7 | 167.9 | 154.8 | -73.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 975 | P | 30 | Very low | 25.3 | Very low | 102 Ų | 102 | 92.7 Ų | 92.7 | 66% | 0.662 | 54% | 0.541 | S | S | * | . | cis | -134.4 | -169.6 | -29.3 | 39.3 | -21.5 | 0 | 0 | 0 | 114.1 | ||||
| 976 | E | 22.9 | Very low | 25.3 | Very low | 83 Ų | 83 | 94.7 Ų | 94.7 | 39% | 0.388 | 55% | 0.547 | S | S | . | . | trans | 55.2 | 82.5 | 153.6 | -70.5 | -178.8 | 118.3 | 0 | 0 | 120.1 | N452 S494 F978 | N452-E976 PolarHBondContact ND2-O 2.8Å; N452-E976 WeakPolarHBondContact OD1-CB 3.32Å; N452-E976 PolarHBondContact OD1-OE1 2.83Å; N452-E976 PolarHBondContact OD1-OE2 3.05Å; S494-E976 WeakPolarHBondContact CB-OE1 3.42Å; E976-F978 HydrophobicContact CB-CE2 4.19Å | ||
| 977 | V | 26.8 | Very low | 25.3 | Very low | 153 Ų | 153 | 97.7 Ų | 97.7 | 93% | 0.927 | 56% | 0.556 | S | S | * | * | trans | -89.7 | 149.6 | 161 | 179.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 978 | F | 25.9 | Very low | 25.6 | Very low | 52 Ų | 52 | 102.5 Ų | 102.5 | 23% | 0.228 | 58% | 0.577 | C | S | . | * | trans | -130.1 | 130.3 | -152.6 | -98.2 | -165.9 | 0 | 0 | 0 | 117.9 | V448 R449 N452 E976 | V448-F978 HydrophobicContact CB-CE1 4.28Å; V448-F978 HydrophobicContact CB-CZ 4.18Å; V448-F978 HydrophobicContact CG1-CD1 3.67Å; V448-F978 HydrophobicContact CG1-CD2 3.75Å; V448-F978 HydrophobicContact CG1-CE1 3.36Å; V448-F978 HydrophobicContact CG1-CE2 3.43Å; V448-F978 VanDerWaalsContact CG1-CE2 3.43Å; V448-F978 HydrophobicContact CG1-CG 3.84Å; V448-F978 HydrophobicContact CG1-CZ 3.18Å; V448-F978 WeakPolarHBondContact O-CE1 3.43Å; V448-F978 WeakPolarHBondContact O-CZ 3.25Å; R449-F978 HydrophobicContact CG-CD1 4.45Å; N452-F978 HydrophobicContact CB-CD1 4.34Å; N452-F978 HydrophobicContact CB-CE1 3.52Å; N452-F978 HydrophobicContact CB-CZ 3.74Å; N452-F978 WeakPolarHBondContact OD1-CE1 3.33Å; N452-F978 WeakPolarHBondContact OD1-CE2 3.21Å; N452-F978 WeakPolarHBondContact OD1-CZ 3.48Å; E976-F978 HydrophobicContact CB-CE2 4.19Å | ||
| 979 | D | 23.6 | Very low | 25.7 | Very low | 89 Ų | 89 | 105.1 Ų | 105.1 | 48% | 0.476 | 59% | 0.587 | S | S | . | * | trans | -68.5 | 131 | 174.1 | 169.1 | 28.1 | 0 | 0 | 0 | 113.5 | N445 R1500 | N445-D979 PolarHBondContact ND2-O 3.3Å; D979-R1500 IonicContact OD2-NH1 3.25Å | ||
| 980 | I | 27.6 | Very low | 25.8 | Very low | 69 Ų | 69 | 101.2 Ų | 101.2 | 35% | 0.354 | 58% | 0.581 | S | S | . | * | trans | -139.1 | 45.1 | -164.9 | -73.3 | -173.6 | 0 | 0 | 0 | 114.8 | Y255 | Y255-I980 HydrophobicContact CE2-CG2 4.15Å; Y255-I980 WeakPolarHBondContact OH-CG2 3.49Å; Y255-I980 PolarHBondContact OH-O 2.83Å | ||
| 981 | N | 27 | Very low | 26 | Very low | 28 Ų | 28 | 98.6 Ų | 98.6 | 15% | 0.15 | 56% | 0.562 | C | S | . | * | trans | 55.6 | 137.8 | 132.6 | -155.6 | 61.1 | 0 | 0 | 0 | 120.9 | Y255 N445 R1500 | Y255-N981 HydrophobicContact CD2-CB 3.67Å; Y255-N981 WeakPolarHBondContact CD2-ND2 3.3Å; Y255-N981 HydrophobicContact CE2-CB 3.35Å; Y255-N981 HydrophobicContact CG-CB 4.42Å; Y255-N981 VanDerWaalsContact CZ-O 3.27Å; Y255-N981 PolarHBondContact OH-O 3.43Å; N445-N981 HydrophobicContact CB-CB 4.47Å; N445-N981 PolarHBondContact OD1-OD1 3.28Å; N981-R1500 PolarHBondContact OD1-NE 3.28Å; N981-R1500 PolarHBondContact OD1-NH1 2.97Å; N981-R1500 PolarHBondContact OD1-NH2 3.11Å | ||
| 982 | E | 27.5 | Very low | 26.2 | Very low | 63 Ų | 63 | 101.4 Ų | 101.4 | 29% | 0.294 | 57% | 0.57 | S | S | . | * | -153.1 | -163 | 81.5 | -116.1 | -64.4 | 68 | 0 | 0 | 112.6 | T252 Y255 | T252-E982 WeakPolarHBondContact CA-OE2 3.34Å; T252-E982 VanDerWaalsContact CB-OE2 3.27Å; T252-E982 WeakPolarHBondContact CB-OE2 3.48Å; T252-E982 HydrophobicContact CG2-CG 4.36Å; T252-E982 PolarHBondContact N-OE2 3.08Å; T252-E982 PolarHBondContact OG1-OE2 3.31Å; Y255-E982 HydrophobicContact CD1-CG 3.71Å; Y255-E982 HydrophobicContact CE1-CG 4.02Å; Y255-E982 HydrophobicContact CG-CG 4.24Å | |||
| 983 | Q | 25.3 | Very low | 26.3 | Very low | 78 Ų | 78 | 100 Ų | 100 | 36% | 0.364 | 57% | 0.567 | S | S | . | * | trans | -147 | 101.3 | -162.4 | -61.6 | -142.4 | -102.1 | 0 | 0 | 115.7 | ||||
| 984 | N | 27.2 | Very low | 26.4 | Very low | 152 Ų | 152 | 102.9 Ų | 102.9 | 81% | 0.813 | 57% | 0.573 | S | S | * | * | trans | -126.5 | 170 | 176.3 | -89.5 | 12 | 0 | 0 | 0 | 111.7 | ||||
| 985 | T | 27.3 | Very low | 26.6 | Very low | 105 Ų | 105 | 102.7 Ų | 102.7 | 64% | 0.644 | 57% | 0.565 | S | S | * | * | -153.3 | 121.5 | -64.1 | 8 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 986 | Q | 26.3 | Very low | 26.4 | Very low | 174 Ų | 174 | 104 Ų | 104 | 81% | 0.813 | 57% | 0.566 | S | S | * | * | trans | 65.6 | 98.4 | 150.2 | -64.1 | -177.8 | 15.3 | 0 | 0 | 122.2 | ||||
| 987 | N | 23.3 | Very low | 27 | Very low | 145 Ų | 145 | 102 Ų | 102 | 78% | 0.775 | 56% | 0.557 | S | S | * | * | 45.5 | 113.8 | 126 | -58.4 | 42.5 | 0 | 0 | 0 | 121.8 | |||||
| 988 | I | 28.5 | Very low | 27.4 | Very low | 148 Ų | 148 | 97.3 Ų | 97.3 | 76% | 0.759 | 53% | 0.525 | S | S | * | . | trans | -136.7 | 147.9 | 138.7 | -62 | -173.9 | 0 | 0 | 0 | 108.2 | ||||
| 989 | D | 26.1 | Very low | 27.7 | Very low | 101 Ų | 101 | 100.4 Ų | 100.4 | 54% | 0.54 | 54% | 0.54 | S | S | . | . | trans | -97.6 | 148.4 | -172.6 | -27.9 | -73.4 | 0 | 0 | 0 | 115.2 | K1948 | D989-K1948 IonicContact OD2-NZ 3.58Å; D989-K1948 PolarHBondContact OD2-NZ 3.34Å | ||
| 990 | G | 28.5 | Very low | 28 | Very low | 61 Ų | 61 | 100.4 Ų | 100.4 | 63% | 0.629 | 54% | 0.537 | S | S | * | . | trans | 168.3 | 108.5 | 159.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 991 | D | 27.4 | Very low | 28 | Very low | 55 Ų | 55 | 100.9 Ų | 100.9 | 29% | 0.294 | 54% | 0.538 | S | S | . | . | 57.6 | 95.7 | 61.4 | -66.1 | -25.3 | 0 | 0 | 0 | 111.9 | K1951 | D991-K1951 IonicContact OD1-NZ 3.3Å; D991-K1951 PolarHBondContact OD1-NZ 3.42Å | |||
| 992 | D | 28.4 | Very low | 28.2 | Very low | 155 Ų | 155 | 103.5 Ų | 103.5 | 83% | 0.829 | 56% | 0.555 | S | S | * | * | 179.8 | 140.6 | 123.9 | -84.1 | -26.6 | 0 | 0 | 0 | 112.8 | |||||
| 993 | V | 26.8 | Very low | 28.2 | Very low | 123 Ų | 123 | 108.3 Ų | 108.3 | 75% | 0.745 | 58% | 0.575 | S | S | * | * | trans | 61 | 150.4 | 164.5 | -171.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 994 | D | 24.4 | Very low | 28.5 | Very low | 133 Ų | 133 | 108.1 Ų | 108.1 | 71% | 0.711 | 58% | 0.577 | S | S | * | * | trans | -84.3 | 122.1 | 177.8 | -71.6 | -75.1 | 0 | 0 | 0 | 112.5 | ||||
| 995 | D | 27.1 | Very low | 28.6 | Very low | 87 Ų | 87 | 106.1 Ų | 106.1 | 47% | 0.465 | 56% | 0.562 | S | S | . | * | trans | -159.4 | 66.7 | 165.9 | -94.3 | -37.1 | 0 | 0 | 0 | 109.8 | L1761 M1763 | D995-L1761 VanDerWaalsContact OD1-CD1 3.26Å; D995-L1761 WeakPolarHBondContact OD1-CD1 3.43Å; D995-M1763 WeakPolarHBondContact OD2-CE 3.29Å | ||
| 996 | N | 26.9 | Very low | 28.8 | Very low | 130 Ų | 130 | 107.5 Ų | 107.5 | 70% | 0.695 | 57% | 0.566 | S | S | * | * | trans | -102.1 | 85.2 | -170.4 | -64.2 | -78.7 | 0 | 0 | 0 | 113.2 | ||||
| 997 | E | 34.9 | Very low | 28.8 | Very low | 41 Ų | 41 | 107.2 Ų | 107.2 | 19% | 0.192 | 57% | 0.57 | C | S | . | * | S | Bend | trans | -149.3 | -36 | 163.9 | -118.2 | -50.4 | -104.6 | 0 | 0 | 117.1 | E999 S1704 R1705 | E997-E999 PolarHBondContact O-N 3.02Å; E997-S1704 PolarHBondContact OE1-OG 3.26Å; E997-R1705 HydrophobicContact CG-CB 3.97Å; E997-R1705 WeakPolarHBondContact OE1-CB 3.4Å; E997-R1705 PolarHBondContact OE1-N 2.98Å; E997-R1705 VanDerWaalsContact OE2-CD 3.29Å; E997-R1705 WeakPolarHBondContact OE2-CD 3.43Å; E997-R1705 IonicContact OE2-CZ 3.39Å; E997-R1705 IonicContact OE2-NE 3.48Å; E997-R1705 IonicContact OE2-NH1 2.67Å; E997-R1705 PolarHBondContact OE2-NH1 2.78Å |
| 998 | E | 34.9 | Very low | 29 | Very low | 55 Ų | 55 | 106.8 Ų | 106.8 | 26% | 0.257 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -71.8 | -8.4 | -177.9 | -98 | -159.7 | -102.2 | 0 | 0 | 114.3 | R1664 K1768 | E998-R1664 IonicContact OE2-CZ 3.9Å; E998-R1664 IonicContact OE2-NH1 3.67Å; E998-R1664 PolarHBondContact OE2-NH1 3.37Å; E998-R1664 IonicContact OE2-NH2 3.29Å; E998-R1664 PolarHBondContact OE2-NH2 3.08Å; E998-K1768 WeakPolarHBondContact OE1-CD 3.44Å; E998-K1768 WeakPolarHBondContact OE1-CE 3.44Å; E998-K1768 IonicContact OE1-NZ 2.65Å; E998-K1768 PolarHBondContact OE1-NZ 3.34Å; E998-K1768 WeakPolarHBondContact OE2-CE 3.48Å; E998-K1768 IonicContact OE2-NZ 2.61Å; E998-K1768 PolarHBondContact OE2-NZ 3.11Å |
| 999 | E | 32.4 | Very low | 29.1 | Very low | 117 Ų | 117 | 107.4 Ų | 107.4 | 55% | 0.547 | 57% | 0.572 | S | S | . | * | trans | -139.7 | 100.6 | -168.8 | -80.1 | 172.9 | -130.5 | 0 | 0 | 113.8 | E997 A1767 K1768 | E997-E999 PolarHBondContact O-N 3.02Å; E999-A1767 WeakPolarHBondContact OE1-CB 3.39Å; E999-K1768 WeakPolarHBondContact OE1-CE 3.48Å; E999-K1768 IonicContact OE1-NZ 3.36Å; E999-K1768 PolarHBondContact OE1-NZ 2.92Å | ||
| 1000 | E | 31.4 | Very low | 29.4 | Very low | 89 Ų | 89 | 108.7 Ų | 108.7 | 42% | 0.416 | 58% | 0.579 | S | S | . | * | S | Bend | trans | -103.6 | 82.8 | 155.8 | -152.2 | -174.2 | -69.9 | 0 | 0 | 109.4 | V1002 K1454 V1455 R1496 | E1000-V1002 PolarHBondContact O-N 3.14Å; E1000-K1454 WeakPolarHBondContact OE1-CA 3.35Å; E1000-V1455 WeakPolarHBondContact OE1-CG2 3.08Å; E1000-V1455 PolarHBondContact OE1-N 3.33Å; E1000-R1496 IonicContact OE2-NH2 3.5Å; E1000-R1496 PolarHBondContact OE2-NH2 2.96Å |
| 1001 | E | 27.6 | Very low | 29.5 | Very low | 79 Ų | 79 | 111.8 Ų | 111.8 | 37% | 0.369 | 58% | 0.581 | S | S | . | * | S | Bend | trans | 18.1 | 83.9 | 173.5 | -64.2 | -168.6 | 118.4 | 0 | 0 | 119.1 | C1502 N1503 V1504 | E1001-C1502 HydrophobicContact CB-CB 4.02Å; E1001-C1502 PolarHBondContact O-SG 3.06Å; E1001-C1502 VanDerWaalsContact OE2-CA 3.29Å; E1001-C1502 WeakPolarHBondContact OE2-CA 3.41Å; E1001-N1503 PolarHBondContact OE2-N 2.85Å; E1001-V1504 PolarHBondContact OE2-N 2.83Å |
| 1002 | V | 30 | Very low | 29.8 | Very low | 83 Ų | 83 | 115.3 Ų | 115.3 | 50% | 0.503 | 60% | 0.6 | S | S | . | * | trans | -129.9 | 114 | 138.1 | -177.3 | 0 | 0 | 0 | 0 | 109 | E1000 D1004 | E1000-V1002 PolarHBondContact O-N 3.14Å; V1002-D1004 PolarHBondContact O-N 2.78Å | ||
| 1003 | K | 28.5 | Very low | 30.1 | Very low | 163 Ų | 163 | 115.8 Ų | 115.8 | 71% | 0.709 | 60% | 0.603 | S | S | * | * | trans | -78.7 | 101.8 | 163.7 | -64.6 | -166.1 | 176.4 | -159.2 | 0 | 108.5 | E1005 | K1003-E1005 HydrophobicContact CB-CG 4.15Å; K1003-E1005 PolarHBondContact O-N 3.48Å | ||
| 1004 | D | 31.1 | Very low | 30.3 | Very low | 75 Ų | 75 | 116.8 Ų | 116.8 | 40% | 0.401 | 60% | 0.604 | S | S | . | * | P | Polyproline II helix | trans | -58.9 | 126 | 140.7 | -93.2 | -41.1 | 0 | 0 | 0 | 106.8 | V1002 K1660 | V1002-D1004 PolarHBondContact O-N 2.78Å; D1004-K1660 IonicContact OD1-NZ 2.61Å; D1004-K1660 PolarHBondContact OD1-NZ 2.85Å; D1004-K1660 WeakPolarHBondContact OD2-CD 3.35Å; D1004-K1660 IonicContact OD2-NZ 2.7Å; D1004-K1660 PolarHBondContact OD2-NZ 3.2Å |
| 1005 | E | 29.2 | Very low | 30.7 | Very low | 109 Ų | 109 | 119.5 Ų | 119.5 | 51% | 0.509 | 61% | 0.61 | S | S | . | * | P | Polyproline II helix | trans | -103.5 | 137.2 | 178.2 | -73.3 | 170.3 | 148.5 | 0 | 0 | 108.7 | K1003 D1007 K1501 | K1003-E1005 HydrophobicContact CB-CG 4.15Å; K1003-E1005 PolarHBondContact O-N 3.48Å; E1005-D1007 PolarHBondContact O-N 3.44Å; E1005-K1501 IonicContact OE1-NZ 3.59Å; E1005-K1501 PolarHBondContact OE1-NZ 2.87Å; E1005-K1501 IonicContact OE2-NZ 2.68Å; E1005-K1501 PolarHBondContact OE2-NZ 3.44Å |
| 1006 | D | 30.5 | Very low | 30.8 | Very low | 134 Ų | 134 | 121.8 Ų | 121.8 | 72% | 0.717 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 122.1 | 169.4 | -58.6 | -79 | 0 | 0 | 0 | 109.5 | N1008 | D1006-N1008 PolarHBondContact O-N 3.11Š|
| 1007 | D | 27.9 | Very low | 30.8 | Very low | 168 Ų | 168 | 121.6 Ų | 121.6 | 90% | 0.898 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -71 | 76.6 | 171.2 | -83.4 | -49.4 | 0 | 0 | 0 | 109.9 | E1005 | E1005-D1007 PolarHBondContact O-N 3.44Š|
| 1008 | N | 27.7 | Very low | 30.6 | Very low | 137 Ų | 137 | 125.4 Ų | 125.4 | 73% | 0.733 | 65% | 0.652 | S | S | * | * | trans | -141.4 | 45.7 | 175.4 | -80.3 | -65.6 | 0 | 0 | 0 | 112 | D1006 | D1006-N1008 PolarHBondContact O-N 3.11Š| ||
| 1009 | D | 29.4 | Very low | 30.4 | Very low | 161 Ų | 161 | 131.2 Ų | 131.2 | 86% | 0.861 | 68% | 0.676 | S | S | * | * | trans | -99 | 88.1 | 170.6 | -92.7 | -17.8 | 0 | 0 | 0 | 110.4 | ||||
| 1010 | D | 33 | Very low | 30.2 | Very low | 128 Ų | 128 | 131.9 Ų | 131.9 | 68% | 0.684 | 69% | 0.69 | S | S | * | * | trans | -85.3 | 120.4 | 159.3 | -96.6 | -38.5 | 0 | 0 | 0 | 109.3 | L927 | L927-D1010 HydrophobicContact CD2-CB 4.14Å; L927-D1010 VanDerWaalsContact CD2-OD1 3.29Å; L927-D1010 WeakPolarHBondContact CD2-OD1 3.36Å | ||
| 1011 | D | 29.6 | Very low | 30.1 | Very low | 125 Ų | 125 | 135.5 Ų | 135.5 | 67% | 0.668 | 71% | 0.707 | S | S | * | * | trans | -68.5 | 125.1 | 173.9 | -73.3 | -52.3 | 0 | 0 | 0 | 110.9 | L927 | L927-D1011 HydrophobicContact CD1-CB 3.87Å; L927-D1011 HydrophobicContact CD2-CB 4.03Å; L927-D1011 VanDerWaalsContact CD2-N 3.27Å; L927-D1011 VanDerWaalsContact CD2-O 3.32Å; L927-D1011 WeakPolarHBondContact CD2-O 3.4Å; L927-D1011 HydrophobicContact CG-CB 4.41Å | ||
| 1012 | D | 34.9 | Very low | 30.1 | Very low | 129 Ų | 129 | 138.7 Ų | 138.7 | 69% | 0.69 | 73% | 0.727 | S | S | * | * | trans | -145.2 | 124.5 | 153.7 | -106.4 | -37.9 | 0 | 0 | 0 | 111.3 | R929 | R929-D1012 IonicContact CZ-OD2 3.28Å; R929-D1012 IonicContact NE-OD2 2.74Å; R929-D1012 IonicContact NH2-OD2 3.51Å; R929-D1012 PolarHBondContact NH2-OD2 3.35Å | ||
| 1013 | D | 33.8 | Very low | 30 | Very low | 166 Ų | 166 | 139.6 Ų | 139.6 | 89% | 0.888 | 74% | 0.743 | S | S | * | * | trans | -98.8 | 91.6 | -168.5 | -131.7 | -11.9 | 0 | 0 | 0 | 110.8 | ||||
| 1014 | D | 31.2 | Very low | 30.1 | Very low | 144 Ų | 144 | 137.5 Ų | 137.5 | 77% | 0.77 | 74% | 0.744 | S | S | * | * | trans | 23.1 | 94.2 | 159.9 | -162.4 | 12.2 | 0 | 0 | 0 | 119.1 | ||||
| 1015 | F | 32.4 | Very low | 29.9 | Very low | 189 Ų | 189 | 140.7 Ų | 140.7 | 83% | 0.829 | 77% | 0.766 | S | S | * | * | trans | -151.6 | 86.2 | 158.7 | -112.3 | -69.5 | 0 | 0 | 0 | 116.1 | ||||
| 1016 | N | 28.9 | Very low | 29.8 | Very low | 136 Ų | 136 | 141.6 Ų | 141.6 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | 57.3 | 145.2 | 148.6 | -81.3 | -34.2 | 0 | 0 | 0 | 123.2 | ||||
| 1017 | V | 27.8 | Very low | 30 | Very low | 125 Ų | 125 | 139 Ų | 139 | 76% | 0.758 | 77% | 0.772 | S | S | * | * | trans | 103.2 | 129.5 | 155.1 | -165.1 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1018 | T | 30.4 | Very low | 30.4 | Very low | 122 Ų | 122 | 139.1 Ų | 139.1 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | trans | 55.6 | 114 | 167.9 | 41.5 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1019 | K | 30.6 | Very low | 31.2 | Very low | 176 Ų | 176 | 142.5 Ų | 142.5 | 77% | 0.765 | 77% | 0.769 | S | S | * | * | trans | 30.5 | 128.1 | 140 | -62.8 | -178 | 175.8 | -175.7 | 0 | 120.2 | ||||
| 1020 | P | 27.4 | Very low | 32.1 | Very low | 131 Ų | 131 | 136.7 Ų | 136.7 | 85% | 0.851 | 74% | 0.737 | S | S | * | * | trans | -81.9 | 133.2 | 165.5 | 34.3 | -31.4 | 0 | 0 | 0 | 111.8 | ||||
| 1021 | E | 29.9 | Very low | 32.8 | Very low | 166 Ų | 166 | 134.2 Ų | 134.2 | 78% | 0.776 | 73% | 0.727 | S | S | * | * | trans | -128.8 | 155.2 | 160.9 | -74.2 | 172.6 | -169.8 | 0 | 0 | 107.5 | A1023 | E1021-A1023 PolarHBondContact O-N 3.45Š| ||
| 1022 | D | 28.4 | Very low | 33.7 | Very low | 145 Ų | 145 | 130.7 Ų | 130.7 | 78% | 0.775 | 71% | 0.706 | S | S | * | * | trans | -43.7 | 113 | -155.8 | -57.1 | -43.6 | 0 | 0 | 0 | 117.9 | ||||
| 1023 | A | 28.2 | Very low | 34.3 | Very low | 102 Ų | 102 | 127.9 Ų | 127.9 | 84% | 0.843 | 69% | 0.691 | S | S | * | * | trans | -105 | 82.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | E1021 T1025 | E1021-A1023 PolarHBondContact O-N 3.45Å; A1023-T1025 PolarHBondContact O-N 3.17Å | ||
| 1024 | T | 29.1 | Very low | 35.2 | Very low | 119 Ų | 119 | 124 Ų | 124 | 73% | 0.73 | 67% | 0.667 | S | S | * | * | trans | -65.1 | 127.5 | 170.4 | 50.3 | 0 | 0 | 0 | 0 | 110.5 | T1026 | T1024-T1026 PolarHBondContact O-N 3.07Š| ||
| 1025 | T | 27.5 | Very low | 36.2 | Very low | 142 Ų | 142 | 117.2 Ų | 117.2 | 87% | 0.871 | 63% | 0.631 | S | S | * | * | trans | -64.4 | 99.9 | 168.9 | 46.8 | 0 | 0 | 0 | 0 | 109.8 | A1023 S1027 | A1023-T1025 PolarHBondContact O-N 3.17Å; T1025-S1027 PolarHBondContact O-N 3.13Å | ||
| 1026 | T | 27 | Very low | 37.2 | Very low | 128 Ų | 128 | 109.9 Ų | 109.9 | 79% | 0.785 | 60% | 0.6 | S | S | * | * | trans | -68.2 | 96.6 | 168.5 | 49.5 | 0 | 0 | 0 | 0 | 108.7 | T1024 | T1024-T1026 PolarHBondContact O-N 3.07Š| ||
| 1027 | S | 33.8 | Very low | 38.2 | Very low | 79 Ų | 79 | 107.8 Ų | 107.8 | 55% | 0.552 | 60% | 0.596 | S | S | * | * | trans | -57 | 150.7 | 148.7 | 67.3 | 0 | 0 | 0 | 0 | 107.7 | T1025 R1029 | T1025-S1027 PolarHBondContact O-N 3.13Å; S1027-R1029 PolarHBondContact O-N 2.74Å | ||
| 1028 | Q | 38.3 | Very low | 39.2 | Very low | 172 Ų | 172 | 104 Ų | 104 | 80% | 0.804 | 58% | 0.575 | S | S | * | * | trans | -68.6 | 87.3 | 158.6 | -72.1 | -178.5 | -45.5 | 0 | 0 | 106.7 | H1030 | Q1028-H1030 VanDerWaalsContact C-N 3.34Å; Q1028-H1030 PolarHBondContact O-N 2.96Å | ||
| 1029 | R | 43 | Very low | 40.3 | Very low | 207 Ų | 207 | 98.2 Ų | 98.2 | 78% | 0.781 | 54% | 0.539 | S | S | * | . | trans | -58.6 | 105.3 | 158.5 | -84.6 | -176.4 | 168.8 | 168 | -3.3 | 105.8 | S1027 T1031 | S1027-R1029 PolarHBondContact O-N 2.74Å; R1029-T1031 PolarHBondContact O-N 2.81Å | ||
| 1030 | H | 48.5 | Very low | 41.1 | Very low | 39 Ų | 39 | 91.7 Ų | 91.7 | 18% | 0.181 | 51% | 0.512 | C | S | . | . | trans | -54.2 | 133.6 | 172.5 | -73.7 | -62.6 | 0 | 0 | 0 | 108.2 | Q1028 E1034 L1035 Y1678 M1682 | Q1028-H1030 VanDerWaalsContact C-N 3.34Å; Q1028-H1030 PolarHBondContact O-N 2.96Å; H1030-E1034 HydrophobicContact CB-CB 4.09Å; H1030-E1034 IonicContact CE1-OE2 2.76Å; H1030-E1034 IonicContact CG-OE2 3.92Å; H1030-E1034 IonicContact ND1-OE2 2.95Å; H1030-E1034 PolarHBondContact ND1-OE2 3.23Å; H1030-L1035 HydrophobicContact CB-CD1 4.03Å; H1030-L1035 HydrophobicContact CB-CG 4Å; H1030-Y1678 PolarHBondContact NE2-OH 2.85Å; H1030-M1682 VanDerWaalsContact CD2-SD 3.59Å | ||
| 1031 | T | 48.7 | Very low | 42 | Very low | 77 Ų | 77 | 92.1 Ų | 92.1 | 47% | 0.472 | 50% | 0.501 | S | S | . | . | trans | -58.2 | 149 | 170.1 | 59.7 | 0 | 0 | 0 | 0 | 108.4 | R1029 N1033 E1034 L1035 | R1029-T1031 PolarHBondContact O-N 2.81Å; T1031-N1033 PolarHBondContact O-N 3.21Å; T1031-E1034 VanDerWaalsContact CB-OE1 3.29Å; T1031-E1034 WeakPolarHBondContact CB-OE1 3.49Å; T1031-E1034 VanDerWaalsContact CG2-OE1 3.28Å; T1031-E1034 WeakPolarHBondContact CG2-OE1 3.46Å; T1031-E1034 PolarHBondContact N-OE1 3.22Å; T1031-E1034 WeakPolarHBondContact O-CA 3.41Å; T1031-E1034 WeakPolarHBondContact O-CB 3.36Å; T1031-E1034 PolarHBondContact O-N 3.21Å; T1031-E1034 WeakPolarHBondContact OG1-CG 3.46Å; T1031-E1034 PolarHBondContact OG1-N 2.88Å; T1031-E1034 PolarHBondContact OG1-OE1 3.22Å; T1031-L1035 PolarHBondContact O-N 2.97Å | ||
| 1032 | F | 48.1 | Very low | 42.6 | Very low | 51 Ų | 51 | 86.5 Ų | 86.5 | 22% | 0.224 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -53.4 | -33.6 | 178.3 | -171.6 | -91.4 | 0 | 0 | 0 | 111.1 | L1035 I1036 L1057 F1686 L1689 | F1032-L1035 PolarHBondContact O-N 3.38Å; F1032-I1036 HydrophobicContact CD1-CD1 4.13Å; F1032-I1036 HydrophobicContact CD1-CG1 3.75Å; F1032-I1036 HydrophobicContact CE1-CD1 3.44Å; F1032-I1036 VanDerWaalsContact CE1-CD1 3.44Å; F1032-I1036 HydrophobicContact CE1-CG1 3.48Å; F1032-I1036 VanDerWaalsContact CE1-CG1 3.48Å; F1032-I1036 HydrophobicContact CZ-CD1 4.12Å; F1032-I1036 HydrophobicContact CZ-CG1 4.16Å; F1032-I1036 WeakPolarHBondContact O-CB 3.4Å; F1032-I1036 VanDerWaalsContact O-CG1 3.26Å; F1032-I1036 WeakPolarHBondContact O-CG1 3.37Å; F1032-I1036 PolarHBondContact O-N 3.04Å; F1032-L1057 HydrophobicContact CD1-CD1 4.01Å; F1032-L1057 HydrophobicContact CD1-CD2 3.47Å; F1032-L1057 VanDerWaalsContact CD1-CD2 3.47Å; F1032-L1057 HydrophobicContact CD1-CG 4.39Å; F1032-L1057 HydrophobicContact CE1-CD1 3.3Å; F1032-L1057 HydrophobicContact CE1-CD2 3.48Å; F1032-L1057 VanDerWaalsContact CE1-CD2 3.48Å; F1032-L1057 HydrophobicContact CE1-CG 4.03Å; F1032-L1057 HydrophobicContact CZ-CD1 3.67Å; F1032-F1686 HydrophobicContact CE2-CE2 4.33Å; F1032-F1686 HydrophobicContact CZ-CE2 4.27Å; F1032-L1689 HydrophobicContact CD2-CB 4.32Å; F1032-L1689 HydrophobicContact CD2-CD1 4.32Å; F1032-L1689 HydrophobicContact CE2-CB 4.31Å |
| 1033 | N | 47.9 | Very low | 43.6 | Very low | 70 Ų | 70 | 80 Ų | 80 | 37% | 0.374 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -70.5 | -30.1 | 176.3 | -62.9 | 5.6 | 0 | 0 | 0 | 113.3 | T1031 S1037 E1060 | T1031-N1033 PolarHBondContact O-N 3.21Å; N1033-S1037 WeakPolarHBondContact O-CB 3.43Å; N1033-S1037 PolarHBondContact O-N 2.87Å; N1033-S1037 PolarHBondContact O-OG 3.19Å; N1033-E1060 PolarHBondContact ND2-OE2 3.41Å |
| 1034 | E | 52 | Low | 44.2 | Very low | 84 Ų | 84 | 75.4 Ų | 75.4 | 39% | 0.393 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -69.9 | -43.8 | 168.8 | -76.5 | 157.3 | -109.4 | 0 | 0 | 112 | H1030 T1031 S1037 S1038 | H1030-E1034 HydrophobicContact CB-CB 4.09Å; H1030-E1034 IonicContact CE1-OE2 2.76Å; H1030-E1034 IonicContact CG-OE2 3.92Å; H1030-E1034 IonicContact ND1-OE2 2.95Å; H1030-E1034 PolarHBondContact ND1-OE2 3.23Å; T1031-E1034 VanDerWaalsContact CB-OE1 3.29Å; T1031-E1034 WeakPolarHBondContact CB-OE1 3.49Å; T1031-E1034 VanDerWaalsContact CG2-OE1 3.28Å; T1031-E1034 WeakPolarHBondContact CG2-OE1 3.46Å; T1031-E1034 PolarHBondContact N-OE1 3.22Å; T1031-E1034 WeakPolarHBondContact O-CA 3.41Å; T1031-E1034 WeakPolarHBondContact O-CB 3.36Å; T1031-E1034 PolarHBondContact O-N 3.21Å; T1031-E1034 WeakPolarHBondContact OG1-CG 3.46Å; T1031-E1034 PolarHBondContact OG1-N 2.88Å; T1031-E1034 PolarHBondContact OG1-OE1 3.22Å; E1034-S1037 PolarHBondContact O-N 2.88Å; E1034-S1038 WeakPolarHBondContact O-CB 3.4Å; E1034-S1038 PolarHBondContact O-N 3.06Å; E1034-S1038 PolarHBondContact O-OG 3.15Å |
| 1035 | L | 51.7 | Low | 44.7 | Very low | 1 Ų | 1 | 70.7 Ų | 70.7 | 1% | 0.005 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -59.3 | -51.7 | 175.1 | -95.9 | 154.3 | 0 | 0 | 0 | 110.3 | H1030 T1031 F1032 S1037 S1038 H1039 M1682 E1685 L1689 | H1030-L1035 HydrophobicContact CB-CD1 4.03Å; H1030-L1035 HydrophobicContact CB-CG 4Å; T1031-L1035 PolarHBondContact O-N 2.97Å; F1032-L1035 PolarHBondContact O-N 3.38Å; L1035-S1037 PolarHBondContact O-N 3.02Å; L1035-S1038 PolarHBondContact O-N 3.47Å; L1035-S1038 PolarHBondContact O-OG 2.91Å; L1035-S1038 VanDerWaalsContact O-OG 3.1Å; L1035-H1039 VanDerWaalsContact O-CB 3.24Å; L1035-H1039 WeakPolarHBondContact O-CB 3.03Å; L1035-H1039 PolarHBondContact O-N 3.02Å; L1035-H1039 PolarHBondContact O-ND1 2.88Å; L1035-M1682 HydrophobicContact CD2-CB 4.07Å; L1035-M1682 HydrophobicContact CD2-SD 3.88Å; L1035-E1685 HydrophobicContact CD1-CG 4.15Å; L1035-L1689 HydrophobicContact CD1-CD1 3.52Å |
| 1036 | I | 53 | Low | 45.4 | Very low | 36 Ų | 36 | 65.8 Ų | 65.8 | 19% | 0.185 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -52.2 | -52.4 | 170.4 | -74.4 | -121.6 | 0 | 0 | 0 | 111.4 | F1032 S1038 H1039 L1040 W1046 | F1032-I1036 HydrophobicContact CD1-CD1 4.13Å; F1032-I1036 HydrophobicContact CD1-CG1 3.75Å; F1032-I1036 HydrophobicContact CE1-CD1 3.44Å; F1032-I1036 VanDerWaalsContact CE1-CD1 3.44Å; F1032-I1036 HydrophobicContact CE1-CG1 3.48Å; F1032-I1036 VanDerWaalsContact CE1-CG1 3.48Å; F1032-I1036 HydrophobicContact CZ-CD1 4.12Å; F1032-I1036 HydrophobicContact CZ-CG1 4.16Å; F1032-I1036 WeakPolarHBondContact O-CB 3.4Å; F1032-I1036 VanDerWaalsContact O-CG1 3.26Å; F1032-I1036 WeakPolarHBondContact O-CG1 3.37Å; F1032-I1036 PolarHBondContact O-N 3.04Å; I1036-S1038 PolarHBondContact O-N 3.15Å; I1036-H1039 PolarHBondContact O-N 2.68Å; I1036-L1040 HydrophobicContact CG2-CD1 3.51Å; I1036-L1040 HydrophobicContact CG2-CG 3.9Å; I1036-L1040 VanDerWaalsContact O-CB 3.28Å; I1036-L1040 WeakPolarHBondContact O-CB 3.34Å; I1036-L1040 VanDerWaalsContact O-CG 3.27Å; I1036-L1040 WeakPolarHBondContact O-CG 3.26Å; I1036-L1040 PolarHBondContact O-N 3.41Å; I1036-W1046 HydrophobicContact CD1-CE3 4.38Å; I1036-W1046 HydrophobicContact CD1-CZ3 3.74Å; I1036-W1046 HydrophobicContact CG1-CZ3 3.95Å |
| 1037 | S | 51.8 | Low | 46 | Very low | 92 Ų | 92 | 65.6 Ų | 65.6 | 64% | 0.643 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -64.1 | -26.7 | -176.9 | -62 | 0 | 0 | 0 | 0 | 113.7 | N1033 E1034 L1035 | N1033-S1037 WeakPolarHBondContact O-CB 3.43Å; N1033-S1037 PolarHBondContact O-N 2.87Å; N1033-S1037 PolarHBondContact O-OG 3.19Å; E1034-S1037 PolarHBondContact O-N 2.88Å; L1035-S1037 PolarHBondContact O-N 3.02Å |
| 1038 | S | 47.1 | Very low | 46.3 | Very low | 44 Ų | 44 | 66 Ų | 66 | 31% | 0.308 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -93.2 | -22.2 | 177.8 | 51.2 | 0 | 0 | 0 | 0 | 113.9 | E1034 L1035 I1036 F1042 | E1034-S1038 WeakPolarHBondContact O-CB 3.4Å; E1034-S1038 PolarHBondContact O-N 3.06Å; E1034-S1038 PolarHBondContact O-OG 3.15Å; L1035-S1038 PolarHBondContact O-N 3.47Å; L1035-S1038 PolarHBondContact O-OG 2.91Å; L1035-S1038 VanDerWaalsContact O-OG 3.1Å; I1036-S1038 PolarHBondContact O-N 3.15Å; S1038-F1042 WeakPolarHBondContact O-CD2 3.47Å; S1038-F1042 WeakPolarHBondContact O-CE2 3.3Å |
| 1039 | H | 53.7 | Low | 46.1 | Very low | 2 Ų | 2 | 59.6 Ų | 59.6 | 1% | 0.009 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -113.5 | -17 | -172.6 | -64.6 | 72.5 | 0 | 0 | 0 | 114.7 | L1035 I1036 K1041 F1042 F1043 W1046 H1679 M1682 | L1035-H1039 VanDerWaalsContact O-CB 3.24Å; L1035-H1039 WeakPolarHBondContact O-CB 3.03Å; L1035-H1039 PolarHBondContact O-N 3.02Å; L1035-H1039 PolarHBondContact O-ND1 2.88Å; I1036-H1039 PolarHBondContact O-N 2.68Å; H1039-K1041 PolarHBondContact O-N 3.29Å; H1039-F1042 PolarHBondContact O-N 2.98Å; H1039-F1043 HydrophobicContact CB-CD2 3.97Å; H1039-F1043 HydrophobicContact CB-CE2 4.4Å; H1039-F1043 AromaticContact CD2-CE2 3.83Å; H1039-F1043 WeakPolarHBondContact O-CD2 3.28Å; H1039-F1043 PolarHBondContact O-N 3.39Å; H1039-W1046 HydrophobicContact CB-CH2 4.13Å; H1039-W1046 HydrophobicContact CB-CZ2 4.36Å; H1039-H1679 AromaticContact NE2-ND1 3.46Å; H1039-H1679 PolarHBondContact NE2-ND1 3.16Å; H1039-M1682 WeakPolarHBondContact CE1-CB 3.21Å; H1039-M1682 WeakPolarHBondContact NE2-CB 3.33Å |
| 1040 | L | 47.9 | Very low | 45.6 | Very low | 38 Ų | 38 | 55.5 Ų | 55.5 | 20% | 0.199 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -26.1 | 166.6 | -83.8 | 174.9 | 0 | 0 | 0 | 112.8 | I1036 F1042 W1046 F1047 L1066 | I1036-L1040 HydrophobicContact CG2-CD1 3.51Å; I1036-L1040 HydrophobicContact CG2-CG 3.9Å; I1036-L1040 VanDerWaalsContact O-CB 3.28Å; I1036-L1040 WeakPolarHBondContact O-CB 3.34Å; I1036-L1040 VanDerWaalsContact O-CG 3.27Å; I1036-L1040 WeakPolarHBondContact O-CG 3.26Å; I1036-L1040 PolarHBondContact O-N 3.41Å; L1040-F1042 VanDerWaalsContact C-N 3.27Å; L1040-F1042 PolarHBondContact O-N 3.17Å; L1040-W1046 HydrophobicContact CD2-CE3 4.12Å; L1040-W1046 HydrophobicContact CD2-CZ3 4.35Å; L1040-F1047 HydrophobicContact CD2-CE2 4.41Å; L1040-L1066 HydrophobicContact CB-CD1 4.08Å |
| 1041 | K | 45.8 | Very low | 45.1 | Very low | 141 Ų | 141 | 57.7 Ų | 57.7 | 61% | 0.613 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -2.6 | 175.1 | -91.3 | -162.9 | 170.9 | -164.9 | 0 | 115.7 | H1039 V1071 | H1039-K1041 PolarHBondContact O-N 3.29Å; K1041-V1071 WeakPolarHBondContact O-CG1 3.46Å |
| 1042 | F | 44 | Very low | 44.7 | Very low | 48 Ų | 48 | 57.8 Ų | 57.8 | 21% | 0.211 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -134.9 | -22.7 | -175.3 | -57.9 | -69.9 | 0 | 0 | 0 | 113.3 | S1038 H1039 L1040 Q1561 Q1562 | S1038-F1042 WeakPolarHBondContact O-CD2 3.47Å; S1038-F1042 WeakPolarHBondContact O-CE2 3.3Å; H1039-F1042 PolarHBondContact O-N 2.98Å; L1040-F1042 VanDerWaalsContact C-N 3.27Å; L1040-F1042 PolarHBondContact O-N 3.17Å; F1042-Q1561 PolarHBondContact O-NE2 3.05Å; F1042-Q1562 VanDerWaalsContact CD1-O 3.29Å; F1042-Q1562 WeakPolarHBondContact CD1-O 3.44Å |
| 1043 | F | 49.5 | Very low | 44.4 | Very low | 7 Ų | 7 | 59.2 Ų | 59.2 | 3% | 0.031 | 32% | 0.316 | C | S | . | . | trans | -116.1 | 63.3 | -172.5 | -65.2 | -90.4 | 0 | 0 | 0 | 113.5 | H1039 E1045 W1046 L1563 L1574 L1683 | H1039-F1043 HydrophobicContact CB-CD2 3.97Å; H1039-F1043 HydrophobicContact CB-CE2 4.4Å; H1039-F1043 AromaticContact CD2-CE2 3.83Å; H1039-F1043 WeakPolarHBondContact O-CD2 3.28Å; H1039-F1043 PolarHBondContact O-N 3.39Å; F1043-E1045 PolarHBondContact O-N 3.15Å; F1043-E1045 VanDerWaalsContact O-N 3.08Å; F1043-W1046 HydrophobicContact CB-CD2 4.31Å; F1043-W1046 HydrophobicContact CB-CG 4.38Å; F1043-W1046 HydrophobicContact CB-CZ2 4.04Å; F1043-W1046 HydrophobicContact CG-CZ2 4.42Å; F1043-W1046 PolarHBondContact O-N 3.17Å; F1043-L1563 HydrophobicContact CZ-CD1 3.93Å; F1043-L1574 HydrophobicContact CE1-CD2 3.51Å; F1043-L1574 HydrophobicContact CZ-CD2 3.95Å; F1043-L1683 HydrophobicContact CD1-CD1 4.42Å; F1043-L1683 HydrophobicContact CE1-CD1 3.59Å; F1043-L1683 HydrophobicContact CE1-CD2 4.31Å; F1043-L1683 HydrophobicContact CE1-CG 4.45Å; F1043-L1683 HydrophobicContact CZ-CB 4.32Å; F1043-L1683 HydrophobicContact CZ-CD1 3.91Å; F1043-L1683 HydrophobicContact CZ-CD2 4.32Å; F1043-L1683 HydrophobicContact CZ-CG 4.41Å | ||
| 1044 | A | 40.1 | Very low | 44.1 | Very low | 6 Ų | 6 | 59.5 Ų | 59.5 | 5% | 0.05 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -57.8 | -20.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | W1046 F1047 M1068 V1071 | A1044-W1046 PolarHBondContact O-N 3.45Å; A1044-W1046 VanDerWaalsContact O-N 3.11Å; A1044-F1047 PolarHBondContact O-N 2.86Å; A1044-M1068 HydrophobicContact CB-CE 4.35Å; A1044-V1071 HydrophobicContact CB-CG1 4.46Å |
| 1045 | E | 39 | Very low | 43.6 | Very low | 20 Ų | 20 | 62 Ų | 62 | 9% | 0.093 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -56.9 | -20 | 173.7 | -61.9 | 178.3 | 173.6 | 0 | 0 | 114.1 | F1043 F1047 D1048 Q1561 T1576 K1638 | F1043-E1045 PolarHBondContact O-N 3.15Å; F1043-E1045 VanDerWaalsContact O-N 3.08Å; E1045-F1047 PolarHBondContact O-N 3.24Å; E1045-F1047 VanDerWaalsContact O-N 3.13Å; E1045-D1048 WeakPolarHBondContact O-CB 3.36Å; E1045-D1048 PolarHBondContact O-N 2.73Å; E1045-Q1561 PolarHBondContact OE1-OE1 2.75Å; E1045-T1576 VanDerWaalsContact OE1-CB 3.29Å; E1045-T1576 WeakPolarHBondContact OE1-CB 3.35Å; E1045-T1576 WeakPolarHBondContact OE1-CG2 3.22Å; E1045-T1576 PolarHBondContact OE1-OG1 2.98Å; E1045-K1638 IonicContact OE1-NZ 3.74Å; E1045-K1638 PolarHBondContact OE1-NZ 3.29Å; E1045-K1638 WeakPolarHBondContact OE2-CE 3.33Å; E1045-K1638 IonicContact OE2-NZ 3.94Å; E1045-K1638 PolarHBondContact OE2-NZ 2.9Å |
| 1046 | W | 42.1 | Very low | 43 | Very low | 40 Ų | 40 | 72 Ų | 72 | 15% | 0.152 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -67.1 | -12.6 | -178.8 | -62.9 | 5 | 0 | 0 | 0 | 113.8 | I1036 H1039 L1040 F1043 A1044 F1686 | I1036-W1046 HydrophobicContact CD1-CE3 4.38Å; I1036-W1046 HydrophobicContact CD1-CZ3 3.74Å; I1036-W1046 HydrophobicContact CG1-CZ3 3.95Å; H1039-W1046 HydrophobicContact CB-CH2 4.13Å; H1039-W1046 HydrophobicContact CB-CZ2 4.36Å; L1040-W1046 HydrophobicContact CD2-CE3 4.12Å; L1040-W1046 HydrophobicContact CD2-CZ3 4.35Å; F1043-W1046 HydrophobicContact CB-CD2 4.31Å; F1043-W1046 HydrophobicContact CB-CG 4.38Å; F1043-W1046 HydrophobicContact CB-CZ2 4.04Å; F1043-W1046 HydrophobicContact CG-CZ2 4.42Å; F1043-W1046 PolarHBondContact O-N 3.17Å; A1044-W1046 PolarHBondContact O-N 3.45Å; A1044-W1046 VanDerWaalsContact O-N 3.11Å; W1046-F1686 HydrophobicContact CD2-CE1 4.35Å; W1046-F1686 HydrophobicContact CD2-CE2 4.34Å; W1046-F1686 AromaticContact CD2-CZ 3.83Å; W1046-F1686 HydrophobicContact CD2-CZ 3.83Å; W1046-F1686 AromaticContact CE2-CE1 3.41Å; W1046-F1686 VanDerWaalsContact CE2-CE1 3.41Å; W1046-F1686 AromaticContact CE2-CE2 3.8Å; W1046-F1686 AromaticContact CE2-CZ 3.25Å; W1046-F1686 HydrophobicContact CE3-CE2 4.32Å; W1046-F1686 HydrophobicContact CE3-CZ 4.23Å; W1046-F1686 HydrophobicContact CH2-CD1 4.47Å; W1046-F1686 AromaticContact CH2-CD2 3.54Å; W1046-F1686 HydrophobicContact CH2-CD2 3.54Å; W1046-F1686 HydrophobicContact CH2-CE1 4.29Å; W1046-F1686 AromaticContact CH2-CE2 3.29Å; W1046-F1686 HydrophobicContact CH2-CE2 3.29Å; W1046-F1686 HydrophobicContact CH2-CG 4.14Å; W1046-F1686 AromaticContact CH2-CZ 3.71Å; W1046-F1686 HydrophobicContact CH2-CZ 3.71Å; W1046-F1686 AromaticContact CZ2-CD1 3.61Å; W1046-F1686 HydrophobicContact CZ2-CD1 3.61Å; W1046-F1686 AromaticContact CZ2-CD2 3.51Å; W1046-F1686 HydrophobicContact CZ2-CD2 3.51Å; W1046-F1686 AromaticContact CZ2-CE1 3.39Å; W1046-F1686 HydrophobicContact CZ2-CE1 3.39Å; W1046-F1686 AromaticContact CZ2-CE2 3.28Å; W1046-F1686 HydrophobicContact CZ2-CE2 3.28Å; W1046-F1686 AromaticContact CZ2-CG 3.67Å; W1046-F1686 HydrophobicContact CZ2-CG 3.67Å; W1046-F1686 AromaticContact CZ2-CZ 3.22Å; W1046-F1686 HydrophobicContact CZ2-CZ 3.22Å; W1046-F1686 HydrophobicContact CZ3-CD2 4.45Å; W1046-F1686 AromaticContact CZ3-CE2 3.83Å; W1046-F1686 HydrophobicContact CZ3-CE2 3.83Å; W1046-F1686 HydrophobicContact CZ3-CZ 4.18Å; W1046-F1686 AromaticContact NE1-CE1 3.35Å; W1046-F1686 VanDerWaalsContact NE1-CE1 3.35Å; W1046-F1686 AromaticContact NE1-CZ 3.6Å |
| 1047 | F | 40.2 | Very low | 42.3 | Very low | 124 Ų | 124 | 72.5 Ų | 72.5 | 54% | 0.544 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -93.5 | -13.2 | 170.9 | -65.7 | -84.5 | 0 | 0 | 0 | 113.1 | L1040 A1044 E1045 L1049 M1068 | L1040-F1047 HydrophobicContact CD2-CE2 4.41Å; A1044-F1047 PolarHBondContact O-N 2.86Å; E1045-F1047 PolarHBondContact O-N 3.24Å; E1045-F1047 VanDerWaalsContact O-N 3.13Å; F1047-L1049 PolarHBondContact O-N 3.49Å; F1047-M1068 HydrophobicContact CB-CE 3.71Å; F1047-M1068 HydrophobicContact CD2-CE 3.7Å; F1047-M1068 HydrophobicContact CD2-SD 3.64Å; F1047-M1068 HydrophobicContact CE2-SD 4.05Å; F1047-M1068 HydrophobicContact CG-CE 3.94Å; F1047-M1068 HydrophobicContact CG-SD 4.15Å |
| 1048 | D | 39.1 | Very low | 41.8 | Very low | 86 Ų | 86 | 74.7 Ų | 74.7 | 46% | 0.46 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -80.9 | 11.4 | 172.4 | -56.6 | -35 | 0 | 0 | 0 | 111.6 | E1045 Y1557 R1559 | E1045-D1048 WeakPolarHBondContact O-CB 3.36Å; E1045-D1048 PolarHBondContact O-N 2.73Å; D1048-Y1557 PolarHBondContact OD2-OH 2.87Å; D1048-Y1557 VanDerWaalsContact OD2-OH 3.09Å; D1048-R1559 IonicContact OD2-NH1 2.67Å; D1048-R1559 PolarHBondContact OD2-NH1 3.31Å |
| 1049 | L | 34.4 | Very low | 41.7 | Very low | 39 Ų | 39 | 80.9 Ų | 80.9 | 20% | 0.204 | 40% | 0.401 | C | S | . | . | trans | -121.5 | 79.8 | -179.2 | -89 | 129.7 | 0 | 0 | 0 | 111 | F1047 S1051 E1052 N1591 | F1047-L1049 PolarHBondContact O-N 3.49Å; L1049-S1051 PolarHBondContact O-N 3.24Å; L1049-E1052 HydrophobicContact CD2-CB 4.29Å; L1049-N1591 HydrophobicContact CD2-CB 4.47Å; L1049-N1591 VanDerWaalsContact CD2-OD1 3.28Å; L1049-N1591 WeakPolarHBondContact CD2-OD1 3.47Å | ||
| 1050 | P | 33.3 | Very low | 40.8 | Very low | 121 Ų | 121 | 86.3 Ų | 86.3 | 79% | 0.786 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | 5.4 | -162.6 | -21.9 | 35.8 | 0 | 0 | 0 | 117.7 | ||
| 1051 | S | 37.4 | Very low | 40.2 | Very low | 84 Ų | 84 | 92.7 Ų | 92.7 | 59% | 0.587 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -143.1 | -8 | -165.4 | 53.4 | 0 | 0 | 0 | 0 | 116.3 | L1049 N1591 | L1049-S1051 PolarHBondContact O-N 3.24Å; S1051-N1591 PolarHBondContact OG-ND2 2.89Å; S1051-N1591 VanDerWaalsContact OG-ND2 3.11Å |
| 1052 | E | 40.2 | Very low | 39.7 | Very low | 80 Ų | 80 | 91.2 Ų | 91.2 | 37% | 0.374 | 46% | 0.458 | S | S | . | . | trans | -112.5 | -0.9 | -156.6 | -151.8 | 138 | -85.8 | 0 | 0 | 115.9 | L1049 P1054 N1591 R1692 | L1049-E1052 HydrophobicContact CD2-CB 4.29Å; E1052-P1054 WeakPolarHBondContact O-CD 3.45Å; E1052-N1591 VanDerWaalsContact OE1-CB 3.25Å; E1052-N1591 WeakPolarHBondContact OE1-CB 3.46Å; E1052-N1591 PolarHBondContact OE1-ND2 3.35Å; E1052-N1591 WeakPolarHBondContact OE2-CA 3.36Å; E1052-N1591 WeakPolarHBondContact OE2-CB 3.44Å; E1052-N1591 VanDerWaalsContact OE2-CG 3.31Å; E1052-N1591 PolarHBondContact OE2-ND2 3.08Å; E1052-R1692 IonicContact OE2-NH1 2.74Å | ||
| 1053 | I | 42.8 | Very low | 39.4 | Very low | 80 Ų | 80 | 97.1 Ų | 97.1 | 41% | 0.41 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -67.8 | 118.2 | 171.7 | -62.6 | 174.6 | 0 | 0 | 0 | 108.2 | N1055 L1057 M1058 | I1053-N1055 PolarHBondContact O-N 3.07Å; I1053-L1057 HydrophobicContact CG2-CB 3.64Å; I1053-M1058 HydrophobicContact CB-CE 4.31Å; I1053-M1058 HydrophobicContact CD1-CE 4.4Å; I1053-M1058 HydrophobicContact CG2-CG 4.03Å |
| 1054 | P | 41.5 | Very low | 38.6 | Very low | 77 Ų | 77 | 102.4 Ų | 102.4 | 50% | 0.5 | 51% | 0.509 | S | S | . | . | trans | -52.6 | 137.6 | 177.2 | -28.2 | 34.3 | 0 | 0 | 0 | 112 | E1052 R1056 L1057 | E1052-P1054 WeakPolarHBondContact O-CD 3.45Å; P1054-R1056 PolarHBondContact O-N 2.85Å; P1054-L1057 HydrophobicContact CG-CD1 4.32Å; P1054-L1057 PolarHBondContact O-N 2.8Å | ||
| 1055 | N | 41.3 | Very low | 38.3 | Very low | 136 Ų | 136 | 108 Ų | 108 | 73% | 0.727 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -8.8 | -179.7 | -87.6 | -61.3 | 0 | 0 | 0 | 115.7 | I1053 | I1053-N1055 PolarHBondContact O-N 3.07Š|
| 1056 | R | 39.3 | Very low | 37.9 | Very low | 212 Ų | 212 | 110.9 Ų | 110.9 | 80% | 0.8 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | -33 | 170.2 | -173.7 | 174.7 | -176.9 | 163.8 | 1.5 | 112.9 | P1054 | P1054-R1056 PolarHBondContact O-N 2.85Š|
| 1057 | L | 38.5 | Very low | 37.6 | Very low | 45 Ų | 45 | 113.6 Ų | 113.6 | 24% | 0.236 | 58% | 0.578 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -91.9 | -29.4 | -170.7 | -74 | 161.4 | 0 | 0 | 0 | 113.4 | F1032 I1053 P1054 K1059 E1060 | F1032-L1057 HydrophobicContact CD1-CD1 4.01Å; F1032-L1057 HydrophobicContact CD1-CD2 3.47Å; F1032-L1057 VanDerWaalsContact CD1-CD2 3.47Å; F1032-L1057 HydrophobicContact CD1-CG 4.39Å; F1032-L1057 HydrophobicContact CE1-CD1 3.3Å; F1032-L1057 HydrophobicContact CE1-CD2 3.48Å; F1032-L1057 VanDerWaalsContact CE1-CD2 3.48Å; F1032-L1057 HydrophobicContact CE1-CG 4.03Å; F1032-L1057 HydrophobicContact CZ-CD1 3.67Å; I1053-L1057 HydrophobicContact CG2-CB 3.64Å; P1054-L1057 HydrophobicContact CG-CD1 4.32Å; P1054-L1057 PolarHBondContact O-N 2.8Å; L1057-K1059 PolarHBondContact O-N 3.22Å; L1057-E1060 PolarHBondContact O-N 3.03Å |
| 1058 | M | 41 | Very low | 37.1 | Very low | 138 Ų | 138 | 111.3 Ų | 111.3 | 68% | 0.68 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | 2.1 | 169.6 | -72.2 | -164.4 | 172.1 | 0 | 0 | 114.2 | I1053 | I1053-M1058 HydrophobicContact CB-CE 4.31Å; I1053-M1058 HydrophobicContact CD1-CE 4.4Å; I1053-M1058 HydrophobicContact CG2-CG 4.03Å |
| 1059 | K | 43.5 | Very low | 36.9 | Very low | 175 Ų | 175 | 113 Ų | 113 | 76% | 0.761 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.2 | -7.2 | -179.5 | -71.4 | -174.8 | 175.6 | -179.5 | 0 | 114.8 | L1057 | L1057-K1059 PolarHBondContact O-N 3.22Š|
| 1060 | E | 36.8 | Very low | 37 | Very low | 115 Ų | 115 | 114.7 Ų | 114.7 | 54% | 0.537 | 59% | 0.594 | S | S | . | * | S | Bend | trans | -106.7 | 119.5 | 174.1 | -68.3 | -177.5 | -168.5 | 0 | 0 | 108.8 | N1033 L1057 V1062 | N1033-E1060 PolarHBondContact ND2-OE2 3.41Å; L1057-E1060 PolarHBondContact O-N 3.03Å; E1060-V1062 PolarHBondContact O-N 3.42Å |
| 1061 | Q | 33.3 | Very low | 37.5 | Very low | 172 Ų | 172 | 110.4 Ų | 110.4 | 80% | 0.804 | 57% | 0.566 | S | S | * | * | trans | -78.3 | 115.3 | -163.3 | -64.1 | 176.1 | -84.9 | 0 | 0 | 112.9 | E1063 | Q1061-E1063 HydrophobicContact CB-CG 4.35Å; Q1061-E1063 PolarHBondContact O-N 3Å | ||
| 1062 | V | 36.9 | Very low | 38.3 | Very low | 111 Ų | 111 | 109.5 Ų | 109.5 | 67% | 0.673 | 55% | 0.554 | S | S | * | * | trans | -90.2 | 93.5 | 162.5 | -177.5 | 0 | 0 | 0 | 0 | 108 | E1060 K1064 | E1060-V1062 PolarHBondContact O-N 3.42Å; V1062-K1064 PolarHBondContact O-N 3.48Å | ||
| 1063 | E | 36.2 | Very low | 39.6 | Very low | 171 Ų | 171 | 106 Ų | 106 | 80% | 0.799 | 54% | 0.538 | S | S | * | . | trans | -67.6 | 0.8 | -166.3 | -71 | -163.8 | 130.9 | 0 | 0 | 116.8 | Q1061 | Q1061-E1063 HydrophobicContact CB-CG 4.35Å; Q1061-E1063 PolarHBondContact O-N 3Å | ||
| 1064 | K | 33.9 | Very low | 40.4 | Very low | 119 Ų | 119 | 105.2 Ų | 105.2 | 52% | 0.517 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -142.8 | 133.4 | 170.9 | -70.2 | -174.6 | 179.2 | 173.9 | 0 | 111.4 | V1062 | V1062-K1064 PolarHBondContact O-N 3.48Š|
| 1065 | P | 32.5 | Very low | 41.6 | Very low | 124 Ų | 124 | 102.7 Ų | 102.7 | 81% | 0.805 | 52% | 0.519 | S | S | * | . | trans | -63 | 135.8 | 159.2 | 29.4 | -32.5 | 0 | 0 | 0 | 108.8 | ||||
| 1066 | L | 32.5 | Very low | 42.3 | Very low | 79 Ų | 79 | 99.2 Ų | 99.2 | 41% | 0.414 | 50% | 0.498 | S | S | . | . | trans | -68.3 | 143.7 | 162 | -81.8 | 150.6 | 0 | 0 | 0 | 108.1 | L1040 M1068 | L1040-L1066 HydrophobicContact CB-CD1 4.08Å; L1066-M1068 PolarHBondContact O-N 2.79Å; L1066-M1068 VanDerWaalsContact O-N 3.13Å | ||
| 1067 | D | 35.5 | Very low | 42.5 | Very low | 98 Ų | 98 | 92 Ų | 92 | 52% | 0.524 | 48% | 0.479 | S | S | . | . | trans | -64.1 | 115.7 | 170.8 | -176.3 | -10.8 | 0 | 0 | 0 | 108.2 | N1069 S1070 | D1067-N1069 PolarHBondContact O-N 3.24Å; D1067-N1069 VanDerWaalsContact O-N 3.11Å; D1067-N1069 WeakPolarHBondContact OD1-CB 3.35Å; D1067-N1069 PolarHBondContact OD1-N 3.49Å; D1067-N1069 VanDerWaalsContact OD1-N 3.08Å; D1067-N1069 PolarHBondContact OD1-ND2 3.48Å; D1067-S1070 WeakPolarHBondContact O-CB 3.33Å; D1067-S1070 PolarHBondContact O-N 3.01Å; D1067-S1070 PolarHBondContact O-OG 3.38Å | ||
| 1068 | M | 29.4 | Very low | 42.3 | Very low | 75 Ų | 75 | 96.5 Ų | 96.5 | 37% | 0.369 | 50% | 0.504 | S | S | . | . | G | 310 helix | trans | -62.7 | -19.4 | -174.6 | -68.1 | -67.1 | -74 | 0 | 0 | 112.8 | A1044 F1047 L1066 S1070 N1072 | A1044-M1068 HydrophobicContact CB-CE 4.35Å; F1047-M1068 HydrophobicContact CB-CE 3.71Å; F1047-M1068 HydrophobicContact CD2-CE 3.7Å; F1047-M1068 HydrophobicContact CD2-SD 3.64Å; F1047-M1068 HydrophobicContact CE2-SD 4.05Å; F1047-M1068 HydrophobicContact CG-CE 3.94Å; F1047-M1068 HydrophobicContact CG-SD 4.15Å; L1066-M1068 PolarHBondContact O-N 2.79Å; L1066-M1068 VanDerWaalsContact O-N 3.13Å; M1068-S1070 VanDerWaalsContact C-N 3.3Å; M1068-N1072 PolarHBondContact O-OD1 2.96Å |
| 1069 | N | 35.3 | Very low | 42.1 | Very low | 121 Ų | 121 | 98.3 Ų | 98.3 | 65% | 0.647 | 50% | 0.504 | S | S | * | . | G | 310 helix | trans | -81.7 | -5.1 | 176 | -50.3 | -76.8 | 0 | 0 | 0 | 113.2 | D1067 N1072 | D1067-N1069 PolarHBondContact O-N 3.24Å; D1067-N1069 VanDerWaalsContact O-N 3.11Å; D1067-N1069 WeakPolarHBondContact OD1-CB 3.35Å; D1067-N1069 PolarHBondContact OD1-N 3.49Å; D1067-N1069 VanDerWaalsContact OD1-N 3.08Å; D1067-N1069 PolarHBondContact OD1-ND2 3.48Å; N1069-N1072 PolarHBondContact O-OD1 3.24Å |
| 1070 | S | 35.7 | Very low | 41.4 | Very low | 76 Ų | 76 | 94.5 Ų | 94.5 | 53% | 0.531 | 50% | 0.499 | S | S | . | . | G | 310 helix | trans | -92 | -2.7 | -174.5 | 70.4 | 0 | 0 | 0 | 0 | 114.9 | D1067 M1068 | D1067-S1070 WeakPolarHBondContact O-CB 3.33Å; D1067-S1070 PolarHBondContact O-N 3.01Å; D1067-S1070 PolarHBondContact O-OG 3.38Å; M1068-S1070 VanDerWaalsContact C-N 3.3Å |
| 1071 | V | 45 | Very low | 40.9 | Very low | 31 Ų | 31 | 97.4 Ų | 97.4 | 19% | 0.188 | 52% | 0.519 | C | S | . | . | S | Bend | trans | -118.7 | 37.4 | -178 | -176.5 | 0 | 0 | 0 | 0 | 110.1 | K1041 A1044 | K1041-V1071 WeakPolarHBondContact O-CG1 3.46Å; A1044-V1071 HydrophobicContact CB-CG1 4.46Å |
| 1072 | N | 52.8 | Low | 40.6 | Very low | 65 Ų | 65 | 93.7 Ų | 93.7 | 35% | 0.348 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -87.8 | 160 | -177.2 | -76.4 | 34.8 | 0 | 0 | 0 | 111.2 | M1068 N1069 E1076 | M1068-N1072 PolarHBondContact O-OD1 2.96Å; N1069-N1072 PolarHBondContact O-OD1 3.24Å; N1072-E1076 VanDerWaalsContact CB-OE1 3.31Å; N1072-E1076 WeakPolarHBondContact CB-OE1 3.47Å; N1072-E1076 WeakPolarHBondContact CB-OE2 3.34Å; N1072-E1076 PolarHBondContact ND2-OE2 2.97Å |
| 1073 | W | 68.9 | Low | 40.2 | Very low | 5 Ų | 5 | 96.4 Ų | 96.4 | 2% | 0.019 | 52% | 0.522 | C | S | . | . | trans | -65.3 | 128.6 | 175.9 | 174 | -117.7 | 0 | 0 | 0 | 108.4 | Y1075 E1076 L1539 L1542 I1560 Q1562 P1571 P1573 | W1073-Y1075 AromaticContact CE2-CD2 3.82Å; W1073-Y1075 AromaticContact CZ2-CD2 3.79Å; W1073-Y1075 HydrophobicContact CZ2-CD2 3.79Å; W1073-Y1075 HydrophobicContact CZ2-CE2 4.19Å; W1073-Y1075 AromaticContact NE1-CD2 3.88Å; W1073-Y1075 PolarHBondContact O-N 3.47Å; W1073-E1076 HydrophobicContact CB-CG 4.17Å; W1073-E1076 PolarHBondContact N-OE1 2.86Å; W1073-E1076 PolarHBondContact O-N 3.05Å; W1073-L1539 HydrophobicContact CH2-CD2 4.03Å; W1073-L1539 HydrophobicContact CZ2-CD2 3.53Å; W1073-L1542 HydrophobicContact CZ2-CD1 4.15Å; W1073-I1560 HydrophobicContact CB-CG2 4.44Å; W1073-I1560 HydrophobicContact CD2-CB 4.45Å; W1073-I1560 HydrophobicContact CD2-CG2 3.49Å; W1073-I1560 VanDerWaalsContact CD2-CG2 3.49Å; W1073-I1560 HydrophobicContact CE3-CG2 3.67Å; W1073-I1560 HydrophobicContact CG-CB 4.33Å; W1073-I1560 HydrophobicContact CG-CG2 3.85Å; W1073-I1560 HydrophobicContact CH2-CG2 4.46Å; W1073-I1560 HydrophobicContact CZ2-CG2 4.24Å; W1073-I1560 HydrophobicContact CZ3-CG2 4.18Å; W1073-Q1562 HydrophobicContact CE3-CB 4.24Å; W1073-Q1562 HydrophobicContact CZ3-CB 4.38Å; W1073-P1571 HydrophobicContact CH2-CB 4.45Å; W1073-P1571 HydrophobicContact CH2-CG 4.43Å; W1073-P1571 HydrophobicContact CZ3-CB 4.23Å; W1073-P1573 HydrophobicContact CH2-CB 3.59Å; W1073-P1573 HydrophobicContact CH2-CG 4.11Å; W1073-P1573 HydrophobicContact CZ2-CB 4.36Å; W1073-P1573 HydrophobicContact CZ3-CB 3.82Å | ||
| 1074 | P | 59.4 | Low | 39.9 | Very low | 65 Ų | 65 | 96.3 Ų | 96.3 | 42% | 0.422 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | 0.2 | -166.6 | 26.8 | -37.7 | 0 | 0 | 0 | 115 | P1571 | P1074-P1571 HydrophobicContact CG-CB 4.02Å; P1074-P1571 HydrophobicContact CG-CG 4Å |
| 1075 | Y | 67 | Low | 39.7 | Very low | 24 Ų | 24 | 98.1 Ų | 98.1 | 9% | 0.094 | 54% | 0.541 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.7 | 23.5 | 178.2 | -48 | -56.9 | 0 | 0 | 0 | 112.7 | W1073 C1077 F1108 I1111 L1539 P1571 | W1073-Y1075 AromaticContact CE2-CD2 3.82Å; W1073-Y1075 AromaticContact CZ2-CD2 3.79Å; W1073-Y1075 HydrophobicContact CZ2-CD2 3.79Å; W1073-Y1075 HydrophobicContact CZ2-CE2 4.19Å; W1073-Y1075 AromaticContact NE1-CD2 3.88Å; W1073-Y1075 PolarHBondContact O-N 3.47Å; Y1075-C1077 PolarHBondContact O-N 3.25Å; Y1075-F1108 HydrophobicContact CD1-CE1 4.33Å; Y1075-F1108 HydrophobicContact CD2-CD1 4.45Å; Y1075-F1108 AromaticContact CD2-CE1 3.91Å; Y1075-F1108 HydrophobicContact CD2-CE1 3.91Å; Y1075-F1108 HydrophobicContact CG-CD1 4.43Å; Y1075-F1108 AromaticContact CG-CE1 3.74Å; Y1075-F1108 HydrophobicContact CG-CE1 3.74Å; Y1075-I1111 HydrophobicContact CD1-CD1 3.51Å; Y1075-I1111 HydrophobicContact CD1-CG1 4.46Å; Y1075-I1111 HydrophobicContact CE1-CD1 3.33Å; Y1075-I1111 HydrophobicContact CE1-CG1 3.8Å; Y1075-I1111 HydrophobicContact CG-CD1 4.48Å; Y1075-L1539 HydrophobicContact CD2-CD2 3.99Å; Y1075-L1539 HydrophobicContact CE2-CD1 3.87Å; Y1075-L1539 HydrophobicContact CE2-CD2 3.72Å; Y1075-L1539 HydrophobicContact CE2-CG 4.45Å; Y1075-P1571 HydrophobicContact CE2-CG 3.61Å; Y1075-P1571 WeakPolarHBondContact OH-CD 3.48Å; Y1075-P1571 WeakPolarHBondContact OH-CG 2.79Å |
| 1076 | E | 55.8 | Low | 39.6 | Very low | 63 Ų | 63 | 101.9 Ų | 101.9 | 29% | 0.294 | 55% | 0.545 | S | S | . | . | trans | -62.5 | 102.6 | 172.8 | -84.3 | 172.9 | -148.3 | 0 | 0 | 111.6 | N1072 W1073 N1078 | N1072-E1076 VanDerWaalsContact CB-OE1 3.31Å; N1072-E1076 WeakPolarHBondContact CB-OE1 3.47Å; N1072-E1076 WeakPolarHBondContact CB-OE2 3.34Å; N1072-E1076 PolarHBondContact ND2-OE2 2.97Å; W1073-E1076 HydrophobicContact CB-CG 4.17Å; W1073-E1076 PolarHBondContact N-OE1 2.86Å; W1073-E1076 PolarHBondContact O-N 3.05Å; E1076-N1078 PolarHBondContact O-N 2.95Å | ||
| 1077 | C | 42.7 | Very low | 39.4 | Very low | 60 Ų | 60 | 103.1 Ų | 103.1 | 41% | 0.405 | 55% | 0.552 | S | S | . | * | trans | -68.7 | 94.3 | 171 | -67.7 | 0 | 0 | 0 | 0 | 110.3 | Y1075 Y1079 | Y1075-C1077 PolarHBondContact O-N 3.25Å; C1077-Y1079 HydrophobicContact CB-CD2 3.91Å; C1077-Y1079 HydrophobicContact CB-CE2 3.86Å; C1077-Y1079 PolarHBondContact O-N 3.06Å | ||
| 1078 | N | 34.8 | Very low | 39.2 | Very low | 140 Ų | 140 | 104 Ų | 104 | 75% | 0.749 | 56% | 0.563 | S | S | * | * | trans | -64.2 | 78.9 | 169.6 | -87 | -50.2 | 0 | 0 | 0 | 111.5 | E1076 S1080 | E1076-N1078 PolarHBondContact O-N 2.95Å; N1078-S1080 PolarHBondContact O-N 2.63Å | ||
| 1079 | Y | 35.8 | Very low | 39.5 | Very low | 176 Ų | 176 | 105.8 Ų | 105.8 | 69% | 0.69 | 58% | 0.578 | S | S | * | * | trans | -71.8 | 63.5 | 162.5 | -79.6 | -80.5 | 0 | 0 | 0 | 109.9 | C1077 N1081 | C1077-Y1079 HydrophobicContact CB-CD2 3.91Å; C1077-Y1079 HydrophobicContact CB-CE2 3.86Å; C1077-Y1079 PolarHBondContact O-N 3.06Å; Y1079-N1081 PolarHBondContact O-N 3.27Å; Y1079-N1081 VanDerWaalsContact O-N 3.13Å | ||
| 1080 | S | 28.3 | Very low | 39.2 | Very low | 94 Ų | 94 | 107.1 Ų | 107.1 | 66% | 0.657 | 58% | 0.584 | S | S | * | * | trans | -66.3 | 109.9 | 177.5 | 58.7 | 0 | 0 | 0 | 0 | 110.1 | N1078 S1082 | N1078-S1080 PolarHBondContact O-N 2.63Å; S1080-S1082 PolarHBondContact O-N 2.86Å | ||
| 1081 | N | 27.5 | Very low | 39 | Very low | 176 Ų | 176 | 109.6 Ų | 109.6 | 94% | 0.941 | 59% | 0.591 | S | S | * | * | trans | -53.8 | 102.6 | 179.4 | -85.5 | -44.9 | 0 | 0 | 0 | 112.3 | Y1079 | Y1079-N1081 PolarHBondContact O-N 3.27Å; Y1079-N1081 VanDerWaalsContact O-N 3.13Å | ||
| 1082 | S | 26.8 | Very low | 38.3 | Very low | 95 Ų | 95 | 117.5 Ų | 117.5 | 66% | 0.664 | 62% | 0.623 | S | S | * | * | trans | -110.4 | 100.8 | 173.7 | 53.9 | 0 | 0 | 0 | 0 | 111 | S1080 I1084 | S1080-S1082 PolarHBondContact O-N 2.86Å; S1082-I1084 PolarHBondContact O-N 2.97Å | ||
| 1083 | N | 28.2 | Very low | 37.1 | Very low | 167 Ų | 167 | 122.5 Ų | 122.5 | 89% | 0.893 | 64% | 0.644 | S | S | * | * | S | Bend | trans | 61.7 | 43 | 160.8 | -59.2 | -22.1 | 0 | 0 | 0 | 118.6 | ||
| 1084 | I | 30.1 | Very low | 35.2 | Very low | 169 Ų | 169 | 128.8 Ų | 128.8 | 87% | 0.867 | 68% | 0.678 | S | S | * | * | trans | -115.7 | 92.7 | 156.2 | -55.2 | -178.1 | 0 | 0 | 0 | 109.3 | S1082 | S1082-I1084 PolarHBondContact O-N 2.97Š| ||
| 1085 | N | 29.5 | Very low | 33.7 | Very low | 158 Ų | 158 | 130.9 Ų | 130.9 | 85% | 0.845 | 69% | 0.69 | S | S | * | * | trans | -154.1 | 141.6 | 171.9 | -125 | -38 | 0 | 0 | 0 | 108.3 | ||||
| 1086 | K | 31.1 | Very low | 31.8 | Very low | 203 Ų | 203 | 138.1 Ų | 138.1 | 88% | 0.883 | 72% | 0.722 | S | S | * | * | trans | 83.8 | 66 | -170.9 | -49.9 | 170.4 | -178.8 | 175.3 | 0 | 117.4 | ||||
| 1087 | D | 28.8 | Very low | 30.7 | Very low | 105 Ų | 105 | 140.8 Ų | 140.8 | 56% | 0.561 | 74% | 0.737 | S | S | * | * | -150.8 | 120.2 | 126.3 | -158.6 | -53.2 | 0 | 0 | 0 | 110.3 | T1089 | D1087-T1089 VanDerWaalsContact C-N 3.32Å; D1087-T1089 PolarHBondContact O-N 3.49Å; D1087-T1089 WeakPolarHBondContact OD1-CB 3.38Å; D1087-T1089 WeakPolarHBondContact OD1-CG2 3.16Å; D1087-T1089 PolarHBondContact OD1-N 2.88Å; D1087-T1089 PolarHBondContact OD1-OG1 3.31Å | |||
| 1088 | P | 31.2 | Very low | 30.6 | Very low | 117 Ų | 117 | 144.1 Ų | 144.1 | 76% | 0.76 | 75% | 0.745 | S | S | * | * | trans | -77.4 | -7.8 | 179.8 | -15.7 | 31.6 | 0 | 0 | 0 | 115.4 | ||||
| 1089 | T | 34.3 | Very low | 31.2 | Very low | 111 Ų | 111 | 141.6 Ų | 141.6 | 68% | 0.681 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -94.4 | -12.9 | -159.6 | 63.3 | 0 | 0 | 0 | 0 | 116 | D1087 | D1087-T1089 VanDerWaalsContact C-N 3.32Å; D1087-T1089 PolarHBondContact O-N 3.49Å; D1087-T1089 WeakPolarHBondContact OD1-CB 3.38Å; D1087-T1089 WeakPolarHBondContact OD1-CG2 3.16Å; D1087-T1089 PolarHBondContact OD1-N 2.88Å; D1087-T1089 PolarHBondContact OD1-OG1 3.31Å |
| 1090 | I | 30.5 | Very low | 32.5 | Very low | 149 Ų | 149 | 137.1 Ų | 137.1 | 76% | 0.764 | 72% | 0.719 | S | S | * | * | trans | -105.1 | 79.4 | -173.1 | -49.7 | 178.7 | 0 | 0 | 0 | 110.6 | ||||
| 1091 | N | 29.4 | Very low | 34.6 | Very low | 128 Ų | 128 | 134.6 Ų | 134.6 | 68% | 0.684 | 70% | 0.7 | S | S | * | * | trans | -139.5 | 56.6 | -171.2 | -113.2 | -33.7 | 0 | 0 | 0 | 114.3 | ||||
| 1092 | K | 30.6 | Very low | 37.2 | Very low | 198 Ų | 198 | 128.9 Ų | 128.9 | 86% | 0.861 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -141.2 | 0.6 | 172.9 | -80.3 | -158.4 | 173.8 | -176.2 | 0 | 118.3 | ||
| 1093 | H | 28 | Very low | 39.6 | Very low | 170 Ų | 170 | 127.6 Ų | 127.6 | 79% | 0.787 | 65% | 0.653 | S | S | * | * | trans | -130.5 | 80.1 | -179.8 | -73.6 | -71.7 | 0 | 0 | 0 | 113.4 | ||||
| 1094 | N | 29 | Very low | 42.1 | Very low | 136 Ų | 136 | 121.5 Ų | 121.5 | 73% | 0.727 | 62% | 0.619 | S | S | * | * | trans | -109.1 | 54.4 | 174.5 | -90.1 | -9.3 | 0 | 0 | 0 | 112.3 | ||||
| 1095 | T | 28.7 | Very low | 44.9 | Very low | 110 Ų | 110 | 113.6 Ų | 113.6 | 68% | 0.675 | 58% | 0.578 | S | S | * | * | trans | -101.5 | -4 | -178.4 | 39.8 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1096 | F | 27.4 | Very low | 47.6 | Very low | 175 Ų | 175 | 107.5 Ų | 107.5 | 77% | 0.768 | 54% | 0.544 | S | S | * | . | trans | -95.2 | 9 | -167.7 | -99.7 | -80.3 | 0 | 0 | 0 | 116.8 | K1098 | F1096-K1098 VanDerWaalsContact C-N 3.33Å; F1096-K1098 PolarHBondContact O-N 2.76Å | ||
| 1097 | I | 33.1 | Very low | 50.3 | Low | 120 Ų | 120 | 102.8 Ų | 102.8 | 62% | 0.615 | 52% | 0.521 | S | S | * | . | G | 310 helix | trans | -82.2 | -3.6 | -169.1 | -63.9 | 173.8 | 0 | 0 | 0 | 113.8 | D1099 | I1097-D1099 PolarHBondContact O-N 3.36Š|
| 1098 | K | 38.7 | Very low | 53.2 | Low | 130 Ų | 130 | 97.9 Ų | 97.9 | 57% | 0.565 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | -73.7 | -23.2 | -165.6 | -71.9 | -170.8 | 176.9 | -174 | 0 | 116.7 | F1096 Y1331 | F1096-K1098 VanDerWaalsContact C-N 3.33Å; F1096-K1098 PolarHBondContact O-N 2.76Å; K1098-Y1331 PolarHBondContact NZ-OH 2.65Å; K1098-Y1331 VanDerWaalsContact NZ-OH 3.08Å |
| 1099 | D | 48.7 | Very low | 56 | Low | 86 Ų | 86 | 92.7 Ų | 92.7 | 46% | 0.46 | 46% | 0.461 | S | S | . | . | G | 310 helix | trans | -89.7 | -8.6 | -163.3 | -64 | -2.4 | 0 | 0 | 0 | 114.8 | I1097 T1101 Q1304 | I1097-D1099 PolarHBondContact O-N 3.36Å; D1099-T1101 PolarHBondContact O-N 2.84Å; D1099-Q1304 PolarHBondContact OD2-NE2 2.8Å |
| 1100 | N | 62.7 | Low | 58.4 | Low | 82 Ų | 82 | 90.8 Ų | 90.8 | 44% | 0.439 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.2 | -31.2 | -173.8 | -86.7 | 14.7 | 0 | 0 | 0 | 114.8 | I1102 M1103 E1104 | N1100-I1102 VanDerWaalsContact C-N 3.26Å; N1100-I1102 PolarHBondContact O-N 3.46Å; N1100-M1103 WeakPolarHBondContact O-CB 3.44Å; N1100-M1103 PolarHBondContact O-N 2.98Å; N1100-M1103 VanDerWaalsContact O-N 3.08Å; N1100-E1104 WeakPolarHBondContact O-CG 3.42Å; N1100-E1104 PolarHBondContact O-N 2.9Å |
| 1101 | T | 72.8 | Confident | 61.1 | Low | 42 Ų | 42 | 86.1 Ų | 86.1 | 26% | 0.258 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.3 | -29.4 | -172.4 | -57 | 0 | 0 | 0 | 0 | 113.2 | D1099 Y1105 T1540 | D1099-T1101 PolarHBondContact O-N 2.84Å; T1101-Y1105 WeakPolarHBondContact O-CB 3.39Å; T1101-Y1105 PolarHBondContact O-N 3.44Å; T1101-Y1105 VanDerWaalsContact O-N 3.1Å; T1101-T1540 HydrophobicContact CG2-CG2 3.79Å |
| 1102 | I | 80.9 | Confident | 64 | Low | 56 Ų | 56 | 81 Ų | 81 | 29% | 0.287 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -72.9 | -41.6 | 174.8 | -67.6 | 175.6 | 0 | 0 | 0 | 110.4 | N1100 E1104 Y1105 Y1106 L1126 | N1100-I1102 VanDerWaalsContact C-N 3.26Å; N1100-I1102 PolarHBondContact O-N 3.46Å; I1102-E1104 PolarHBondContact O-N 3.29Å; I1102-Y1105 PolarHBondContact O-N 2.81Å; I1102-Y1106 HydrophobicContact CG2-CD2 3.85Å; I1102-Y1106 HydrophobicContact CG2-CE2 3.73Å; I1102-Y1106 WeakPolarHBondContact O-CD2 3.28Å; I1102-Y1106 PolarHBondContact O-N 2.85Å; I1102-L1126 HydrophobicContact CG2-CD1 4.06Å; I1102-L1126 HydrophobicContact CG2-CG 4.31Å |
| 1103 | M | 78.2 | Confident | 66.8 | Low | 67 Ų | 67 | 76.6 Ų | 76.6 | 33% | 0.33 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.9 | -45 | 175.2 | -62.1 | -66 | -56.6 | 0 | 0 | 111.8 | N1100 Y1106 Y1107 F1296 C1300 | N1100-M1103 WeakPolarHBondContact O-CB 3.44Å; N1100-M1103 PolarHBondContact O-N 2.98Å; N1100-M1103 VanDerWaalsContact O-N 3.08Å; M1103-Y1106 PolarHBondContact O-N 2.87Å; M1103-Y1107 PolarHBondContact O-N 2.78Å; M1103-F1296 HydrophobicContact CE-CD1 3.48Å; M1103-F1296 VanDerWaalsContact CE-CD1 3.48Å; M1103-F1296 HydrophobicContact CE-CE1 3.54Å; M1103-F1296 HydrophobicContact CE-CG 4.18Å; M1103-F1296 HydrophobicContact CE-CZ 4.26Å; M1103-F1296 HydrophobicContact SD-CD1 3.81Å; M1103-F1296 HydrophobicContact SD-CE1 3.5Å; M1103-F1296 WeakPolarHBondContact SD-CE1 3.45Å; M1103-F1296 HydrophobicContact SD-CZ 4.45Å; M1103-C1300 PolarHBondContact SD-SG 2.76Å |
| 1104 | E | 81.1 | Confident | 69.8 | Low | 39 Ų | 39 | 70 Ų | 70 | 18% | 0.182 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.8 | -42.6 | 176.7 | -70.4 | 171.4 | -134.6 | 0 | 0 | 111.5 | N1100 I1102 Y1106 Y1107 F1108 T1540 N1543 | N1100-E1104 WeakPolarHBondContact O-CG 3.42Å; N1100-E1104 PolarHBondContact O-N 2.9Å; I1102-E1104 PolarHBondContact O-N 3.29Å; E1104-Y1106 PolarHBondContact O-N 3.18Å; E1104-Y1107 PolarHBondContact O-N 3.04Å; E1104-F1108 HydrophobicContact CB-CE2 4.41Å; E1104-F1108 WeakPolarHBondContact O-CD2 3.47Å; E1104-F1108 PolarHBondContact O-N 3.1Å; E1104-T1540 HydrophobicContact CB-CG2 4.11Å; E1104-N1543 VanDerWaalsContact CD-ND2 3.31Å; E1104-N1543 PolarHBondContact OE2-ND2 3.22Å |
| 1105 | Y | 88.8 | Confident | 72.5 | Confident | 3 Ų | 3 | 68.3 Ų | 68.3 | 1% | 0.012 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.5 | -43.4 | 176.2 | -163.6 | -79.7 | 0 | 0 | 0 | 111.9 | T1101 I1102 F1108 A1109 I1121 D1125 L1126 T1534 T1536 R1537 T1540 | T1101-Y1105 WeakPolarHBondContact O-CB 3.39Å; T1101-Y1105 PolarHBondContact O-N 3.44Å; T1101-Y1105 VanDerWaalsContact O-N 3.1Å; I1102-Y1105 PolarHBondContact O-N 2.81Å; Y1105-F1108 PolarHBondContact O-N 2.81Å; Y1105-A1109 WeakPolarHBondContact O-CB 3.45Å; Y1105-A1109 PolarHBondContact O-N 2.94Å; Y1105-I1121 HydrophobicContact CD1-CD1 4.12Å; Y1105-I1121 HydrophobicContact CD1-CG2 4.12Å; Y1105-I1121 HydrophobicContact CE1-CD1 4.23Å; Y1105-I1121 HydrophobicContact CE1-CG2 3.56Å; Y1105-D1125 WeakPolarHBondContact CE2-O 3.29Å; Y1105-D1125 WeakPolarHBondContact OH-CB 3.26Å; Y1105-L1126 HydrophobicContact CD1-CD1 3.92Å; Y1105-L1126 HydrophobicContact CG-CD1 4.47Å; Y1105-T1534 PolarHBondContact OH-OG1 3.44Å; Y1105-T1536 HydrophobicContact CD1-CG2 3.74Å; Y1105-T1536 HydrophobicContact CD2-CG2 3.78Å; Y1105-T1536 HydrophobicContact CE1-CG2 3.5Å; Y1105-T1536 HydrophobicContact CE2-CG2 3.59Å; Y1105-T1536 HydrophobicContact CG-CG2 3.85Å; Y1105-T1536 VanDerWaalsContact CZ-CG2 3.42Å; Y1105-T1536 VanDerWaalsContact O-CG2 3.31Å; Y1105-T1536 WeakPolarHBondContact O-CG2 3.45Å; Y1105-R1537 VanDerWaalsContact CD2-NH2 3.29Å; Y1105-R1537 HydrophobicContact CE2-CB 4.04Å; Y1105-T1540 WeakPolarHBondContact CD2-OG1 3.36Å |
| 1106 | Y | 86 | Confident | 75.1 | Confident | 31 Ų | 31 | 64.5 Ų | 64.5 | 12% | 0.122 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60 | -46.4 | 173.7 | -86.6 | -60.9 | 0 | 0 | 0 | 112.6 | I1102 M1103 E1104 F1108 A1109 Q1110 I1121 L1126 F1296 L1375 N1377 | I1102-Y1106 HydrophobicContact CG2-CD2 3.85Å; I1102-Y1106 HydrophobicContact CG2-CE2 3.73Å; I1102-Y1106 WeakPolarHBondContact O-CD2 3.28Å; I1102-Y1106 PolarHBondContact O-N 2.85Å; M1103-Y1106 PolarHBondContact O-N 2.87Å; E1104-Y1106 PolarHBondContact O-N 3.18Å; Y1106-F1108 PolarHBondContact O-N 2.85Å; Y1106-A1109 PolarHBondContact O-N 3.16Å; Y1106-Q1110 WeakPolarHBondContact O-CG 3.25Å; Y1106-Q1110 PolarHBondContact O-N 3.31Å; Y1106-Q1110 VanDerWaalsContact O-N 3.13Å; Y1106-I1121 HydrophobicContact CD1-CD1 3.39Å; Y1106-I1121 HydrophobicContact CE1-CD1 3.54Å; Y1106-I1121 HydrophobicContact CE1-CG1 4.36Å; Y1106-I1121 HydrophobicContact CG-CD1 4.32Å; Y1106-L1126 HydrophobicContact CD2-CD1 4.06Å; Y1106-L1126 HydrophobicContact CE1-CD1 4.22Å; Y1106-L1126 HydrophobicContact CE2-CD1 3.75Å; Y1106-L1126 HydrophobicContact CE2-CD2 4.14Å; Y1106-L1126 HydrophobicContact CG-CD1 4.45Å; Y1106-L1126 WeakPolarHBondContact OH-CD2 3.41Å; Y1106-F1296 HydrophobicContact CD2-CE1 4.26Å; Y1106-F1296 AromaticContact CD2-CZ 3.83Å; Y1106-F1296 HydrophobicContact CD2-CZ 3.83Å; Y1106-F1296 AromaticContact CG-CZ 3.8Å; Y1106-F1296 HydrophobicContact CG-CZ 3.8Å; Y1106-L1375 WeakPolarHBondContact CD1-O 3.12Å; Y1106-L1375 WeakPolarHBondContact CE1-O 3.42Å; Y1106-N1377 PolarHBondContact OH-N 3.27Å |
| 1107 | Y | 86.5 | Confident | 77.6 | Confident | 104 Ų | 104 | 58.1 Ų | 58.1 | 41% | 0.408 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -57.7 | -47.2 | 177.1 | 170.8 | -105.7 | 0 | 0 | 0 | 111.7 | M1103 E1104 Q1110 I1111 | M1103-Y1107 PolarHBondContact O-N 2.78Å; E1104-Y1107 PolarHBondContact O-N 3.04Å; Y1107-Q1110 PolarHBondContact O-N 2.93Å; Y1107-I1111 HydrophobicContact CD1-CD1 3.98Å; Y1107-I1111 HydrophobicContact CE1-CD1 3.47Å; Y1107-I1111 VanDerWaalsContact CE1-CD1 3.47Å; Y1107-I1111 HydrophobicContact CE2-CD1 4.1Å; Y1107-I1111 HydrophobicContact CG-CD1 4.48Å; Y1107-I1111 WeakPolarHBondContact O-CG1 3.2Å |
| 1108 | F | 90.2 | Very high | 80.2 | Confident | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.009 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.1 | -39.9 | 178.5 | -72 | -56.9 | 0 | 0 | 0 | 112.7 | Y1075 E1104 Y1105 Y1106 Q1110 I1111 I1112 T1536 L1539 N1543 | Y1075-F1108 HydrophobicContact CD1-CE1 4.33Å; Y1075-F1108 HydrophobicContact CD2-CD1 4.45Å; Y1075-F1108 AromaticContact CD2-CE1 3.91Å; Y1075-F1108 HydrophobicContact CD2-CE1 3.91Å; Y1075-F1108 HydrophobicContact CG-CD1 4.43Å; Y1075-F1108 AromaticContact CG-CE1 3.74Å; Y1075-F1108 HydrophobicContact CG-CE1 3.74Å; E1104-F1108 HydrophobicContact CB-CE2 4.41Å; E1104-F1108 WeakPolarHBondContact O-CD2 3.47Å; E1104-F1108 PolarHBondContact O-N 3.1Å; Y1105-F1108 PolarHBondContact O-N 2.81Å; Y1106-F1108 PolarHBondContact O-N 2.85Å; F1108-Q1110 VanDerWaalsContact C-N 3.26Å; F1108-Q1110 PolarHBondContact O-N 3.42Å; F1108-I1111 HydrophobicContact CD1-CD1 3.99Å; F1108-I1111 HydrophobicContact CE1-CD1 4.5Å; F1108-I1111 WeakPolarHBondContact O-CG1 3.13Å; F1108-I1111 PolarHBondContact O-N 2.75Å; F1108-I1112 WeakPolarHBondContact O-CG2 3.49Å; F1108-I1112 PolarHBondContact O-N 2.82Å; F1108-T1536 HydrophobicContact CB-CG2 3.68Å; F1108-L1539 HydrophobicContact CB-CB 4.02Å; F1108-L1539 HydrophobicContact CB-CD1 4.15Å; F1108-L1539 HydrophobicContact CD1-CB 3.53Å; F1108-L1539 HydrophobicContact CD1-CD1 3.7Å; F1108-L1539 HydrophobicContact CD1-CG 4.18Å; F1108-L1539 HydrophobicContact CD2-CB 3.86Å; F1108-L1539 HydrophobicContact CE1-CB 3.89Å; F1108-L1539 HydrophobicContact CE1-CD1 4.44Å; F1108-L1539 HydrophobicContact CE2-CB 4.22Å; F1108-L1539 WeakPolarHBondContact CE2-O 3.24Å; F1108-L1539 HydrophobicContact CG-CB 3.52Å; F1108-L1539 HydrophobicContact CG-CD1 4.15Å; F1108-L1539 HydrophobicContact CG-CG 4.48Å; F1108-L1539 HydrophobicContact CZ-CB 4.24Å; F1108-N1543 HydrophobicContact CE2-CB 3.81Å; F1108-N1543 HydrophobicContact CZ-CB 3.86Å |
| 1109 | A | 90 | Very high | 82.6 | Confident | 7 Ų | 7 | 50.3 Ų | 50.3 | 6% | 0.058 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.9 | -31.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y1105 Y1106 I1112 I1121 L1375 T1536 | Y1105-A1109 WeakPolarHBondContact O-CB 3.45Å; Y1105-A1109 PolarHBondContact O-N 2.94Å; Y1106-A1109 PolarHBondContact O-N 3.16Å; A1109-I1112 VanDerWaalsContact O-CG1 3.31Å; A1109-I1112 WeakPolarHBondContact O-CG1 3.45Å; A1109-I1121 HydrophobicContact CB-CD1 3.41Å; A1109-I1121 VanDerWaalsContact CB-CD1 3.41Å; A1109-I1121 HydrophobicContact CB-CG1 4.05Å; A1109-L1375 HydrophobicContact CB-CD1 4.5Å; A1109-L1375 WeakPolarHBondContact O-CD1 3.44Å; A1109-T1536 HydrophobicContact CB-CG2 4.01Å |
| 1110 | Q | 86.2 | Confident | 84.6 | Confident | 71 Ų | 71 | 47.1 Ų | 47.1 | 33% | 0.332 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -77.6 | -18.7 | 179.2 | -71.4 | 177.9 | -1 | 0 | 0 | 114 | Y1106 Y1107 F1108 L1375 | Y1106-Q1110 WeakPolarHBondContact O-CG 3.25Å; Y1106-Q1110 PolarHBondContact O-N 3.31Å; Y1106-Q1110 VanDerWaalsContact O-N 3.13Å; Y1107-Q1110 PolarHBondContact O-N 2.93Å; F1108-Q1110 VanDerWaalsContact C-N 3.26Å; F1108-Q1110 PolarHBondContact O-N 3.42Å; Q1110-L1375 HydrophobicContact CG-CB 4.48Å |
| 1111 | I | 86.4 | Confident | 86 | Confident | 52 Ų | 52 | 43.7 Ų | 43.7 | 27% | 0.267 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -112 | -3.4 | -174 | 69.1 | -167.8 | 0 | 0 | 0 | 114.5 | Y1075 Y1107 F1108 | Y1075-I1111 HydrophobicContact CD1-CD1 3.51Å; Y1075-I1111 HydrophobicContact CD1-CG1 4.46Å; Y1075-I1111 HydrophobicContact CE1-CD1 3.33Å; Y1075-I1111 HydrophobicContact CE1-CG1 3.8Å; Y1075-I1111 HydrophobicContact CG-CD1 4.48Å; Y1107-I1111 HydrophobicContact CD1-CD1 3.98Å; Y1107-I1111 HydrophobicContact CE1-CD1 3.47Å; Y1107-I1111 VanDerWaalsContact CE1-CD1 3.47Å; Y1107-I1111 HydrophobicContact CE2-CD1 4.1Å; Y1107-I1111 HydrophobicContact CG-CD1 4.48Å; Y1107-I1111 WeakPolarHBondContact O-CG1 3.2Å; F1108-I1111 HydrophobicContact CD1-CD1 3.99Å; F1108-I1111 HydrophobicContact CE1-CD1 4.5Å; F1108-I1111 WeakPolarHBondContact O-CG1 3.13Å; F1108-I1111 PolarHBondContact O-N 2.75Å |
| 1112 | I | 89.7 | Confident | 87.1 | Confident | 19 Ų | 19 | 41.9 Ų | 41.9 | 10% | 0.097 | 21% | 0.205 | C | C | . | . | trans | -73.2 | 146.6 | 168.5 | 56 | 160.8 | 0 | 0 | 0 | 111.5 | F1108 A1109 F1118 E1400 Y1535 L1539 I1649 | F1108-I1112 WeakPolarHBondContact O-CG2 3.49Å; F1108-I1112 PolarHBondContact O-N 2.82Å; A1109-I1112 VanDerWaalsContact O-CG1 3.31Å; A1109-I1112 WeakPolarHBondContact O-CG1 3.45Å; I1112-F1118 HydrophobicContact CD1-CE2 3.97Å; I1112-E1400 HydrophobicContact CD1-CG 4.06Å; I1112-Y1535 HydrophobicContact CG2-CD1 3.61Å; I1112-Y1535 HydrophobicContact CG2-CE1 3.88Å; I1112-L1539 HydrophobicContact CG2-CD1 4.03Å; I1112-I1649 HydrophobicContact CB-CD1 4.37Å; I1112-I1649 HydrophobicContact CD1-CG1 4.39Å; I1112-I1649 HydrophobicContact CD1-CG2 4.48Å | ||
| 1113 | K | 90.9 | Very high | 87.7 | Confident | 106 Ų | 106 | 39.7 Ų | 39.7 | 46% | 0.461 | 19% | 0.194 | S | C | . | . | trans | -105.1 | 117.5 | -177.3 | -63 | 167 | -168 | 163.5 | 0 | 109.9 | L1568 S1569 N1570 | K1113-L1568 HydrophobicContact CB-CB 4.42Å; K1113-L1568 WeakPolarHBondContact CB-O 3.39Å; K1113-L1568 WeakPolarHBondContact CD-O 3.41Å; K1113-S1569 PolarHBondContact NZ-O 3.34Å; K1113-N1570 PolarHBondContact N-OD1 3.36Å; K1113-N1570 PolarHBondContact O-ND2 2.92Å | ||
| 1114 | S | 90.2 | Very high | 88.4 | Confident | 32 Ų | 32 | 36.6 Ų | 36.6 | 22% | 0.224 | 18% | 0.178 | C | C | . | . | trans | -113.8 | 157.8 | 177.8 | -174.2 | 0 | 0 | 0 | 0 | 111.4 | L1116 F1118 | S1114-L1116 VanDerWaalsContact CB-O 3.31Å; S1114-L1116 WeakPolarHBondContact CB-O 3.27Å; S1114-L1116 PolarHBondContact OG-N 2.86Å; S1114-L1116 PolarHBondContact OG-O 2.72Å; S1114-F1118 VanDerWaalsContact OG-CZ 3.25Å; S1114-F1118 WeakPolarHBondContact OG-CZ 3.5Å | ||
| 1115 | L | 86.3 | Confident | 88.9 | Confident | 100 Ų | 100 | 35.3 Ų | 35.3 | 52% | 0.524 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -86.7 | -19.4 | 165.6 | -173 | 63.4 | 0 | 0 | 0 | 112 | I1423 L1568 V1650 M1657 | L1115-I1423 HydrophobicContact CD2-CD1 4.27Å; L1115-I1423 HydrophobicContact CD2-CG2 4.01Å; L1115-L1568 HydrophobicContact CB-CD1 4.45Å; L1115-V1650 HydrophobicContact CB-CG1 4.48Å; L1115-M1657 HydrophobicContact CB-CE 3.91Å; L1115-M1657 HydrophobicContact CD2-CE 3.58Å; L1115-M1657 HydrophobicContact CG-CE 4.37Å |
| 1116 | L | 81.8 | Confident | 88.8 | Confident | 31 Ų | 31 | 35.8 Ų | 35.8 | 16% | 0.162 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -100.2 | 131.8 | 176.9 | -63.3 | 173.8 | 0 | 0 | 0 | 109.2 | S1114 F1118 I1272 V1650 | S1114-L1116 VanDerWaalsContact CB-O 3.31Å; S1114-L1116 WeakPolarHBondContact CB-O 3.27Å; S1114-L1116 PolarHBondContact OG-N 2.86Å; S1114-L1116 PolarHBondContact OG-O 2.72Å; L1116-F1118 HydrophobicContact CB-CE1 4.29Å; L1116-F1118 PolarHBondContact O-N 2.74Å; L1116-I1272 HydrophobicContact CD2-CD1 3.84Å; L1116-V1650 HydrophobicContact CD1-CB 4.42Å |
| 1117 | P | 80.6 | Confident | 88.8 | Confident | 41 Ų | 41 | 36.5 Ų | 36.5 | 27% | 0.266 | 18% | 0.181 | S | C | . | . | P | Polyproline II helix | trans | -65.3 | 121.8 | 168.8 | 28.1 | -32.2 | 0 | 0 | 0 | 108.7 | Q1275 | P1117-Q1275 VanDerWaalsContact CG-OE1 3.23Š|
| 1118 | F | 88.2 | Confident | 88.8 | Confident | 20 Ų | 20 | 33.2 Ų | 33.2 | 9% | 0.088 | 17% | 0.17 | C | C | . | . | P | Polyproline II helix | trans | -87.6 | 139.5 | 171 | -59.8 | -33.8 | 0 | 0 | 0 | 109.3 | I1112 S1114 L1116 L1375 R1398 F1399 E1400 I1649 | I1112-F1118 HydrophobicContact CD1-CE2 3.97Å; S1114-F1118 VanDerWaalsContact OG-CZ 3.25Å; S1114-F1118 WeakPolarHBondContact OG-CZ 3.5Å; L1116-F1118 HydrophobicContact CB-CE1 4.29Å; L1116-F1118 PolarHBondContact O-N 2.74Å; F1118-L1375 HydrophobicContact CB-CD2 3.75Å; F1118-L1375 VanDerWaalsContact O-CD2 3.32Å; F1118-L1375 WeakPolarHBondContact O-CD2 3.46Å; F1118-R1398 WeakPolarHBondContact CA-O 3.46Å; F1118-F1399 VanDerWaalsContact CE1-C 3.49Å; F1118-F1399 WeakPolarHBondContact CE1-O 3.44Å; F1118-E1400 HydrophobicContact CE2-CB 4.07Å; F1118-E1400 HydrophobicContact CE2-CG 4.27Å; F1118-E1400 HydrophobicContact CZ-CB 4.15Å; F1118-E1400 HydrophobicContact CZ-CG 4.3Å; F1118-I1649 HydrophobicContact CE2-CG2 3.9Å; F1118-I1649 HydrophobicContact CZ-CG2 3.62Å; F1118-I1649 WeakPolarHBondContact CZ-O 3.44Å |
| 1119 | E | 88.1 | Confident | 88.4 | Confident | 66 Ų | 66 | 33.4 Ų | 33.4 | 31% | 0.308 | 17% | 0.172 | S | C | . | . | trans | -101.3 | -30.5 | 178 | -57.2 | -77.5 | 88.8 | 0 | 0 | 111.5 | Q1275 R1398 | E1119-Q1275 PolarHBondContact OE1-NE2 3.49Å; E1119-Q1275 PolarHBondContact OE2-NE2 3.29Å; E1119-R1398 HydrophobicContact CB-CB 4.4Å; E1119-R1398 HydrophobicContact CG-CB 3.76Å; E1119-R1398 HydrophobicContact CG-CG 4.49Å; E1119-R1398 PolarHBondContact N-O 2.98Å; E1119-R1398 IonicContact OE1-NH1 3.93Å; E1119-R1398 IonicContact OE2-CZ 3.67Å; E1119-R1398 VanDerWaalsContact OE2-CZ 3.3Å; E1119-R1398 IonicContact OE2-NH1 2.74Å; E1119-R1398 PolarHBondContact OE2-NH1 3.41Å; E1119-R1398 IonicContact OE2-NH2 3.5Å; E1119-R1398 PolarHBondContact OE2-NH2 3.18Å | ||
| 1120 | M | 91.8 | Very high | 87.7 | Confident | 19 Ų | 19 | 38.1 Ų | 38.1 | 9% | 0.094 | 19% | 0.193 | C | C | . | . | B | Isolated β-bridge | trans | -144.3 | 161.2 | -171.7 | 68 | -176.1 | -61 | 0 | 0 | 111.3 | S1376 D1379 E1396 F1399 Y1526 | M1120-S1376 VanDerWaalsContact CA-O 3.26Å; M1120-S1376 WeakPolarHBondContact CA-O 3.48Å; M1120-D1379 WeakPolarHBondContact CE-OD1 3.46Å; M1120-E1396 HydrophobicContact SD-CG 4.03Å; M1120-F1399 HydrophobicContact CG-CB 4.06Å; M1120-F1399 HydrophobicContact CG-CD1 3.96Å; M1120-F1399 HydrophobicContact CG-CG 4.47Å; M1120-F1399 WeakPolarHBondContact O-CB 3.49Å; M1120-F1399 HydrophobicContact SD-CD1 4.06Å; M1120-Y1526 WeakPolarHBondContact CE-OH 3.18Å |
| 1121 | I | 92.4 | Very high | 87.2 | Confident | 9 Ų | 9 | 35.3 Ų | 35.3 | 5% | 0.046 | 18% | 0.183 | C | C | . | . | trans | -89.8 | 137.3 | 158.2 | -59.4 | -175.3 | 0 | 0 | 0 | 107.9 | Y1105 Y1106 A1109 Y1123 L1126 L1375 S1376 N1377 | Y1105-I1121 HydrophobicContact CD1-CD1 4.12Å; Y1105-I1121 HydrophobicContact CD1-CG2 4.12Å; Y1105-I1121 HydrophobicContact CE1-CD1 4.23Å; Y1105-I1121 HydrophobicContact CE1-CG2 3.56Å; Y1106-I1121 HydrophobicContact CD1-CD1 3.39Å; Y1106-I1121 HydrophobicContact CE1-CD1 3.54Å; Y1106-I1121 HydrophobicContact CE1-CG1 4.36Å; Y1106-I1121 HydrophobicContact CG-CD1 4.32Å; A1109-I1121 HydrophobicContact CB-CD1 3.41Å; A1109-I1121 VanDerWaalsContact CB-CD1 3.41Å; A1109-I1121 HydrophobicContact CB-CG1 4.05Å; I1121-Y1123 PolarHBondContact O-N 2.88Å; I1121-L1126 HydrophobicContact CD1-CD1 4.41Å; I1121-L1126 HydrophobicContact CG2-CB 4.05Å; I1121-L1126 HydrophobicContact CG2-CD1 4.27Å; I1121-L1375 HydrophobicContact CG1-CB 4.29Å; I1121-S1376 PolarHBondContact N-O 3.12Å; I1121-N1377 PolarHBondContact O-ND2 2.88Å | ||
| 1122 | A | 94.1 | Very high | 86.6 | Confident | 4 Ų | 4 | 33.6 Ų | 33.6 | 3% | 0.033 | 18% | 0.175 | C | C | . | . | trans | -68.9 | 128.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | D1125 L1126 F1399 Y1433 Y1526 | A1122-D1125 PolarHBondContact O-N 3.01Å; A1122-D1125 VanDerWaalsContact O-N 3.13Å; A1122-L1126 PolarHBondContact O-N 2.89Å; A1122-L1126 VanDerWaalsContact O-N 3.15Å; A1122-F1399 HydrophobicContact CB-CD2 3.78Å; A1122-F1399 HydrophobicContact CB-CE2 3.94Å; A1122-F1399 HydrophobicContact CB-CG 4.13Å; A1122-F1399 HydrophobicContact CB-CZ 4.42Å; A1122-Y1433 HydrophobicContact CB-CE1 4.43Å; A1122-Y1433 WeakPolarHBondContact CB-OH 3.46Å; A1122-Y1526 HydrophobicContact CB-CD1 4.29Å; A1122-Y1526 HydrophobicContact CB-CE1 3.57Å | ||
| 1123 | Y | 93.9 | Very high | 85.8 | Confident | 11 Ų | 11 | 39.6 Ų | 39.6 | 4% | 0.043 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -54.7 | -42.3 | -174.9 | -173.3 | -96.3 | 0 | 0 | 0 | 115 | I1121 D1125 L1126 I1127 N1377 D1379 E1380 F1468 V1470 Y1526 | I1121-Y1123 PolarHBondContact O-N 2.88Å; Y1123-D1125 VanDerWaalsContact C-N 3.28Å; Y1123-D1125 PolarHBondContact O-N 2.99Å; Y1123-L1126 PolarHBondContact O-N 2.87Å; Y1123-I1127 HydrophobicContact CD1-CD1 4.31Å; Y1123-I1127 HydrophobicContact CD1-CG2 4.32Å; Y1123-I1127 HydrophobicContact CD2-CG2 4.36Å; Y1123-I1127 HydrophobicContact CE1-CD1 3.82Å; Y1123-I1127 HydrophobicContact CE1-CG1 4.41Å; Y1123-I1127 HydrophobicContact CE1-CG2 3.89Å; Y1123-I1127 HydrophobicContact CE2-CG2 3.89Å; Y1123-I1127 PolarHBondContact O-N 2.82Å; Y1123-I1127 VanDerWaalsContact O-N 3.15Å; Y1123-N1377 WeakPolarHBondContact CD2-OD1 3.49Å; Y1123-N1377 PolarHBondContact N-ND2 2.86Å; Y1123-D1379 WeakPolarHBondContact CB-OD2 3.5Å; Y1123-E1380 HydrophobicContact CD2-CG 4.25Å; Y1123-E1380 HydrophobicContact CE2-CG 3.43Å; Y1123-E1380 VanDerWaalsContact CE2-CG 3.43Å; Y1123-E1380 WeakPolarHBondContact CE2-OE1 3.47Å; Y1123-E1380 VanDerWaalsContact CZ-OE1 3.29Å; Y1123-E1380 PolarHBondContact OH-OE1 3.08Å; Y1123-F1468 AromaticContact CD1-CE1 3.73Å; Y1123-F1468 HydrophobicContact CD1-CE1 3.73Å; Y1123-F1468 HydrophobicContact CD1-CZ 4.07Å; Y1123-F1468 HydrophobicContact CE1-CE1 4.12Å; Y1123-F1468 HydrophobicContact CE1-CZ 4.17Å; Y1123-V1470 HydrophobicContact CD1-CB 4.37Å; Y1123-V1470 HydrophobicContact CD1-CG1 4.09Å; Y1123-V1470 HydrophobicContact CD1-CG2 3.72Å; Y1123-V1470 HydrophobicContact CE1-CG1 3.95Å; Y1123-V1470 HydrophobicContact CE1-CG2 4.33Å; Y1123-V1470 HydrophobicContact CG-CG1 4.41Å; Y1123-V1470 HydrophobicContact CG-CG2 4.05Å; Y1123-Y1526 PolarHBondContact N-OH 2.89Å |
| 1124 | P | 92.7 | Very high | 85 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.8 | -36.6 | 179.4 | -18.1 | 29.9 | 0 | 0 | 0 | 112.4 | N1128 A1129 F1468 W1480 Y1526 | P1124-N1128 PolarHBondContact O-N 2.88Å; P1124-A1129 HydrophobicContact CB-CB 3.76Å; P1124-A1129 VanDerWaalsContact O-CB 3.24Å; P1124-A1129 WeakPolarHBondContact O-CB 3.36Å; P1124-A1129 PolarHBondContact O-N 3.27Å; P1124-F1468 HydrophobicContact CB-CD1 4.25Å; P1124-F1468 HydrophobicContact CB-CD2 4.12Å; P1124-F1468 HydrophobicContact CB-CE2 4.38Å; P1124-F1468 HydrophobicContact CB-CG 4.06Å; P1124-F1468 HydrophobicContact CG-CB 4.13Å; P1124-F1468 HydrophobicContact CG-CD1 3.66Å; P1124-F1468 HydrophobicContact CG-CD2 4.35Å; P1124-F1468 HydrophobicContact CG-CE1 4.13Å; P1124-F1468 HydrophobicContact CG-CG 3.78Å; P1124-W1480 HydrophobicContact CB-CH2 4.45Å; P1124-W1480 HydrophobicContact CB-CZ2 3.53Å; P1124-W1480 HydrophobicContact CG-CH2 4.27Å; P1124-W1480 HydrophobicContact CG-CZ2 3.8Å; P1124-Y1526 HydrophobicContact CG-CD1 4.3Å; P1124-Y1526 HydrophobicContact CG-CD2 3.74Å; P1124-Y1526 HydrophobicContact CG-CE2 4.25Å; P1124-Y1526 HydrophobicContact CG-CG 3.76Å |
| 1125 | D | 91.7 | Very high | 84.2 | Confident | 12 Ų | 12 | 46.2 Ų | 46.2 | 6% | 0.064 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -73.9 | -33.3 | 179.4 | -64.3 | -61.8 | 0 | 0 | 0 | 111.9 | Y1105 A1122 Y1123 Y1433 T1534 R1537 | Y1105-D1125 WeakPolarHBondContact CE2-O 3.29Å; Y1105-D1125 WeakPolarHBondContact OH-CB 3.26Å; A1122-D1125 PolarHBondContact O-N 3.01Å; A1122-D1125 VanDerWaalsContact O-N 3.13Å; Y1123-D1125 VanDerWaalsContact C-N 3.28Å; Y1123-D1125 PolarHBondContact O-N 2.99Å; D1125-Y1433 VanDerWaalsContact OD2-CE1 3.25Å; D1125-Y1433 WeakPolarHBondContact OD2-CE1 3.15Å; D1125-Y1433 VanDerWaalsContact OD2-CZ 3.3Å; D1125-Y1433 PolarHBondContact OD2-OH 2.93Å; D1125-T1534 HydrophobicContact CB-CG2 4.27Å; D1125-R1537 PolarHBondContact O-NH2 2.81Å |
| 1126 | L | 87.1 | Confident | 83.8 | Confident | 13 Ų | 13 | 42.5 Ų | 42.5 | 7% | 0.068 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.5 | -51.7 | 175.9 | -172.5 | 67.9 | 0 | 0 | 0 | 111.5 | I1102 Y1105 Y1106 I1121 A1122 Y1123 N1128 N1377 | I1102-L1126 HydrophobicContact CG2-CD1 4.06Å; I1102-L1126 HydrophobicContact CG2-CG 4.31Å; Y1105-L1126 HydrophobicContact CD1-CD1 3.92Å; Y1105-L1126 HydrophobicContact CG-CD1 4.47Å; Y1106-L1126 HydrophobicContact CD2-CD1 4.06Å; Y1106-L1126 HydrophobicContact CE1-CD1 4.22Å; Y1106-L1126 HydrophobicContact CE2-CD1 3.75Å; Y1106-L1126 HydrophobicContact CE2-CD2 4.14Å; Y1106-L1126 HydrophobicContact CG-CD1 4.45Å; Y1106-L1126 WeakPolarHBondContact OH-CD2 3.41Å; I1121-L1126 HydrophobicContact CD1-CD1 4.41Å; I1121-L1126 HydrophobicContact CG2-CB 4.05Å; I1121-L1126 HydrophobicContact CG2-CD1 4.27Å; A1122-L1126 PolarHBondContact O-N 2.89Å; A1122-L1126 VanDerWaalsContact O-N 3.15Å; Y1123-L1126 PolarHBondContact O-N 2.87Å; L1126-N1128 PolarHBondContact O-N 2.81Å; L1126-N1377 HydrophobicContact CD2-CB 4.04Å |
| 1127 | I | 87.2 | Confident | 83.5 | Confident | 47 Ų | 47 | 45.5 Ų | 45.5 | 24% | 0.241 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -1.3 | -176.4 | 72.5 | 165 | 0 | 0 | 0 | 114.3 | Y1123 A1129 F1468 S1473 P1478 | Y1123-I1127 HydrophobicContact CD1-CD1 4.31Å; Y1123-I1127 HydrophobicContact CD1-CG2 4.32Å; Y1123-I1127 HydrophobicContact CD2-CG2 4.36Å; Y1123-I1127 HydrophobicContact CE1-CD1 3.82Å; Y1123-I1127 HydrophobicContact CE1-CG1 4.41Å; Y1123-I1127 HydrophobicContact CE1-CG2 3.89Å; Y1123-I1127 HydrophobicContact CE2-CG2 3.89Å; Y1123-I1127 PolarHBondContact O-N 2.82Å; Y1123-I1127 VanDerWaalsContact O-N 3.15Å; I1127-A1129 HydrophobicContact CD1-CB 4.29Å; I1127-A1129 HydrophobicContact CG1-CB 4.08Å; I1127-F1468 HydrophobicContact CD1-CE2 4.11Å; I1127-F1468 HydrophobicContact CD1-CZ 3.65Å; I1127-S1473 WeakPolarHBondContact CD1-OG 3.44Å; I1127-P1478 HydrophobicContact CD1-CB 3.58Å |
| 1128 | N | 84.9 | Confident | 83.6 | Confident | 34 Ų | 34 | 45.2 Ų | 45.2 | 18% | 0.182 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | 47.4 | -171.6 | -167.9 | 63.9 | 0 | 0 | 0 | 113.3 | P1124 L1126 H1130 R1537 | P1124-N1128 PolarHBondContact O-N 2.88Å; L1126-N1128 PolarHBondContact O-N 2.81Å; N1128-H1130 PolarHBondContact ND2-CE1 2.9Å; N1128-H1130 PolarHBondContact O-N 2.83Å; N1128-R1537 WeakPolarHBondContact OD1-CD 3.45Å; N1128-R1537 PolarHBondContact OD1-NE 3.42Å; N1128-R1537 PolarHBondContact OD1-NH1 2.57Å |
| 1129 | A | 83.5 | Confident | 83.1 | Confident | 7 Ų | 7 | 46.6 Ų | 46.6 | 6% | 0.058 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -55.2 | 123.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | P1124 I1127 F1468 | P1124-A1129 HydrophobicContact CB-CB 3.76Å; P1124-A1129 VanDerWaalsContact O-CB 3.24Å; P1124-A1129 WeakPolarHBondContact O-CB 3.36Å; P1124-A1129 PolarHBondContact O-N 3.27Å; I1127-A1129 HydrophobicContact CD1-CB 4.29Å; I1127-A1129 HydrophobicContact CG1-CB 4.08Å; A1129-F1468 HydrophobicContact CB-CD2 3.75Å; A1129-F1468 HydrophobicContact CB-CE2 3.38Å; A1129-F1468 HydrophobicContact CB-CZ 4.25Å |
| 1130 | H | 75.1 | Confident | 82 | Confident | 106 Ų | 106 | 51.8 Ų | 51.8 | 49% | 0.491 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 164.1 | -179.7 | -67.3 | -57.7 | 0 | 0 | 0 | 112 | N1128 C1479 W1480 | N1128-H1130 PolarHBondContact ND2-CE1 2.9Å; N1128-H1130 PolarHBondContact O-N 2.83Å; H1130-C1479 CarbonylContact O-C 3.6Å; H1130-C1479 VanDerWaalsContact O-CA 3.29Å; H1130-C1479 WeakPolarHBondContact O-CA 3.32Å; H1130-W1480 PolarHBondContact O-N 3.17Å |
| 1131 | G | 75.9 | Confident | 80.3 | Confident | 11 Ų | 11 | 52.9 Ų | 52.9 | 11% | 0.113 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 157.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I1133 | G1131-I1133 PolarHBondContact O-N 2.87Å |
| 1132 | S | 73.6 | Confident | 78.4 | Confident | 16 Ų | 16 | 56.3 Ų | 56.3 | 11% | 0.112 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -48.4 | 131.3 | 169.1 | -175.1 | 0 | 0 | 0 | 0 | 111.8 | N1134 W1480 R1834 | S1132-N1134 VanDerWaalsContact C-N 3.32Å; S1132-N1134 PolarHBondContact OG-N 3.15Å; S1132-W1480 PolarHBondContact N-O 2.73Å; S1132-R1834 WeakPolarHBondContact O-CD 3.35Å |
| 1133 | I | 72.2 | Confident | 76 | Confident | 145 Ų | 145 | 62.2 Ų | 62.2 | 74% | 0.744 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -76.2 | -26.7 | 174.4 | -59 | 175.4 | 0 | 0 | 0 | 110.2 | G1131 R1834 | G1131-I1133 PolarHBondContact O-N 2.87Å; I1133-R1834 PolarHBondContact O-NH1 3.31Å |
| 1134 | N | 74.7 | Confident | 73.5 | Confident | 124 Ų | 124 | 66.1 Ų | 66.1 | 66% | 0.663 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -69.6 | 151.2 | -179.7 | -65.3 | -29.9 | 0 | 0 | 0 | 111.5 | S1132 E1136 R1834 | S1132-N1134 VanDerWaalsContact C-N 3.32Å; S1132-N1134 PolarHBondContact OG-N 3.15Å; N1134-E1136 PolarHBondContact O-N 2.91Å; N1134-R1834 WeakPolarHBondContact O-CD 3.33Å |
| 1135 | Y | 72.3 | Confident | 71.3 | Confident | 153 Ų | 153 | 67.8 Ų | 67.8 | 60% | 0.6 | 34% | 0.342 | S | S | * | . | trans | -73.8 | 114.7 | 172.4 | -74.8 | -73.1 | 0 | 0 | 0 | 110.3 | H1831 R1834 | Y1135-H1831 HydrophobicContact CD1-CB 3.94Å; Y1135-H1831 AromaticContact CD1-CD2 3.63Å; Y1135-H1831 AromaticContact CD1-CG 3.57Å; Y1135-H1831 AromaticContact CD1-ND1 3.92Å; Y1135-H1831 AromaticContact CE1-CD2 3.67Å; Y1135-H1831 AromaticContact CE1-CE1 3.98Å; Y1135-H1831 AromaticContact CE1-NE2 3.68Å; Y1135-R1834 VanDerWaalsContact CE1-CZ 3.46Å | ||
| 1136 | E | 78.7 | Confident | 69 | Low | 22 Ų | 22 | 74.7 Ų | 74.7 | 10% | 0.103 | 37% | 0.367 | C | S | . | . | trans | -92 | 114.9 | 175.4 | -65.7 | 170 | 135.3 | 0 | 0 | 108.6 | N1134 K1481 R1482 H1831 Q1832 | N1134-E1136 PolarHBondContact O-N 2.91Å; E1136-K1481 WeakPolarHBondContact OE1-CA 3.36Å; E1136-R1482 HydrophobicContact CB-CB 4.37Å; E1136-R1482 HydrophobicContact CB-CG 4.44Å; E1136-R1482 HydrophobicContact CG-CB 4.47Å; E1136-R1482 PolarHBondContact OE1-N 3.1Å; E1136-R1482 WeakPolarHBondContact OE2-CG 3.16Å; E1136-H1831 CarbonylContact O-C 3.59Å; E1136-H1831 WeakPolarHBondContact O-CA 3.34Å; E1136-H1831 WeakPolarHBondContact O-CB 3.45Å; E1136-Q1832 HydrophobicContact CB-CB 4.48Å; E1136-Q1832 PolarHBondContact O-N 2.85Å | ||
| 1137 | P | 76.1 | Confident | 66.9 | Low | 95 Ų | 95 | 80.6 Ų | 80.6 | 62% | 0.617 | 39% | 0.388 | S | S | * | . | trans | -66.6 | 165.7 | -179.5 | 28.2 | -35.1 | 0 | 0 | 0 | 111.7 | Q1832 | P1137-Q1832 PolarHBondContact O-NE2 3.33Š| ||
| 1138 | F | 80.7 | Confident | 64.7 | Low | 35 Ų | 35 | 85.3 Ų | 85.3 | 15% | 0.154 | 40% | 0.404 | C | S | . | . | trans | -64.9 | 143.2 | 169.9 | -69.3 | -64.8 | 0 | 0 | 0 | 111.1 | E1140 K1707 C1793 I1795 H1796 Q1830 H1831 Q1832 | F1138-E1140 PolarHBondContact O-N 3.41Å; F1138-K1707 VanDerWaalsContact CD1-NZ 3.27Å; F1138-K1707 HydrophobicContact CE1-CD 4.02Å; F1138-K1707 HydrophobicContact CE2-CD 4.4Å; F1138-K1707 HydrophobicContact CZ-CD 3.73Å; F1138-K1707 VanDerWaalsContact CZ-NZ 3.35Å; F1138-C1793 VanDerWaalsContact CE1-SG 3.52Å; F1138-I1795 VanDerWaalsContact CE2-O 3.24Å; F1138-I1795 WeakPolarHBondContact CE2-O 3.44Å; F1138-I1795 WeakPolarHBondContact CZ-O 3.3Å; F1138-H1796 HydrophobicContact CE2-CB 4.07Å; F1138-H1796 HydrophobicContact CZ-CB 4.28Å; F1138-Q1830 HydrophobicContact CD2-CB 4.44Å; F1138-Q1830 HydrophobicContact CE2-CB 4.23Å; F1138-H1831 VanDerWaalsContact CZ-O 3.32Å; F1138-H1831 WeakPolarHBondContact CZ-O 3.46Å; F1138-Q1832 HydrophobicContact CD1-CG 3.99Å; F1138-Q1832 HydrophobicContact CE1-CG 4.36Å | ||
| 1139 | Y | 78.4 | Confident | 62.8 | Low | 49 Ų | 49 | 87.4 Ų | 87.4 | 19% | 0.192 | 41% | 0.412 | C | S | . | . | trans | -71.6 | 115.6 | 174.8 | -179.8 | -108.6 | 0 | 0 | 0 | 111.1 | T1141 G1462 Q1464 N1486 I1487 | Y1139-T1141 PolarHBondContact O-N 3.45Å; Y1139-G1462 PolarHBondContact N-O 3.41Å; Y1139-G1462 VanDerWaalsContact O-CA 3.3Å; Y1139-G1462 WeakPolarHBondContact O-CA 3.43Å; Y1139-Q1464 HydrophobicContact CG-CG 4.33Å; Y1139-N1486 PolarHBondContact OH-N 3.3Å; Y1139-I1487 HydrophobicContact CD1-CB 3.88Å; Y1139-I1487 HydrophobicContact CD1-CD1 4.04Å; Y1139-I1487 HydrophobicContact CD1-CG1 4.05Å; Y1139-I1487 HydrophobicContact CE1-CB 3.81Å; Y1139-I1487 HydrophobicContact CE1-CD1 4.43Å; Y1139-I1487 HydrophobicContact CE1-CG1 3.98Å; Y1139-I1487 HydrophobicContact CG-CD1 4.27Å | ||
| 1140 | E | 65.1 | Low | 61 | Low | 175 Ų | 175 | 89.4 Ų | 89.4 | 82% | 0.818 | 42% | 0.422 | S | S | * | . | trans | -65.3 | 114.6 | 172.6 | -68.9 | -165.3 | 168.6 | 0 | 0 | 110.3 | F1138 D1142 | F1138-E1140 PolarHBondContact O-N 3.41Å; E1140-D1142 PolarHBondContact O-N 2.98Å | ||
| 1141 | T | 55.5 | Low | 59.3 | Low | 42 Ų | 42 | 90.8 Ų | 90.8 | 26% | 0.258 | 43% | 0.428 | S | S | . | . | trans | -80.9 | 112.3 | 178.7 | -38.6 | 0 | 0 | 0 | 0 | 109.3 | Y1139 Q1143 | Y1139-T1141 PolarHBondContact O-N 3.45Å; T1141-Q1143 PolarHBondContact O-N 3.39Å; T1141-Q1143 VanDerWaalsContact O-N 3.11Å | ||
| 1142 | D | 52.5 | Low | 57.5 | Low | 80 Ų | 80 | 96 Ų | 96 | 43% | 0.428 | 45% | 0.45 | S | S | . | . | trans | -51.5 | 113.8 | -172.7 | -160.6 | -25.9 | 0 | 0 | 0 | 112.3 | E1140 L1144 I1145 W1146 | E1140-D1142 PolarHBondContact O-N 2.98Å; D1142-L1144 PolarHBondContact O-N 2.89Å; D1142-L1144 VanDerWaalsContact O-N 3.1Å; D1142-L1144 PolarHBondContact OD1-N 2.83Å; D1142-I1145 HydrophobicContact CB-CB 4.11Å; D1142-I1145 HydrophobicContact CB-CD1 3.85Å; D1142-I1145 HydrophobicContact CB-CG1 3.88Å; D1142-I1145 WeakPolarHBondContact O-CB 2.84Å; D1142-I1145 PolarHBondContact O-N 3.33Å; D1142-W1146 PolarHBondContact O-N 3.28Å | ||
| 1143 | Q | 44.2 | Very low | 55.7 | Low | 129 Ų | 129 | 98.3 Ų | 98.3 | 60% | 0.603 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -61.1 | -26 | -173.8 | -68.3 | -166.1 | 23.3 | 0 | 0 | 112.3 | T1141 R1147 | T1141-Q1143 PolarHBondContact O-N 3.39Å; T1141-Q1143 VanDerWaalsContact O-N 3.11Å; Q1143-R1147 WeakPolarHBondContact O-CB 3.25Å; Q1143-R1147 WeakPolarHBondContact O-CG 3.36Å; Q1143-R1147 PolarHBondContact O-N 3.02Å |
| 1144 | L | 41.5 | Very low | 53.9 | Low | 93 Ų | 93 | 95.7 Ų | 95.7 | 49% | 0.487 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -70.2 | -41.9 | 174.9 | -69.9 | 172.2 | 0 | 0 | 0 | 111.3 | D1142 R1147 Y1148 L1233 | D1142-L1144 PolarHBondContact O-N 2.89Å; D1142-L1144 VanDerWaalsContact O-N 3.1Å; D1142-L1144 PolarHBondContact OD1-N 2.83Å; L1144-R1147 PolarHBondContact O-N 2.92Å; L1144-Y1148 VanDerWaalsContact O-CB 3.26Å; L1144-Y1148 WeakPolarHBondContact O-CB 3.46Å; L1144-Y1148 PolarHBondContact O-N 3.39Å; L1144-L1233 HydrophobicContact CD2-CD1 4.13Å |
| 1145 | I | 47.1 | Very low | 51.9 | Low | 36 Ų | 36 | 96 Ų | 96 | 19% | 0.185 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -64.7 | -46.2 | 174.2 | -62.8 | -178.2 | 0 | 0 | 0 | 110 | D1142 R1147 Y1148 F1149 N1486 I1488 | D1142-I1145 HydrophobicContact CB-CB 4.11Å; D1142-I1145 HydrophobicContact CB-CD1 3.85Å; D1142-I1145 HydrophobicContact CB-CG1 3.88Å; D1142-I1145 WeakPolarHBondContact O-CB 2.84Å; D1142-I1145 PolarHBondContact O-N 3.33Å; I1145-R1147 VanDerWaalsContact C-N 3.33Å; I1145-R1147 PolarHBondContact O-N 3.21Å; I1145-Y1148 PolarHBondContact O-N 3.3Å; I1145-F1149 HydrophobicContact CG2-CD2 3.7Å; I1145-F1149 HydrophobicContact CG2-CE2 3.89Å; I1145-F1149 WeakPolarHBondContact O-CD2 3.44Å; I1145-F1149 PolarHBondContact O-N 2.58Å; I1145-N1486 WeakPolarHBondContact CD1-OD1 3.37Å; I1145-I1488 HydrophobicContact CG2-CD1 4.35Å |
| 1146 | W | 44.2 | Very low | 50 | Low | 157 Ų | 157 | 96.4 Ų | 96.4 | 60% | 0.595 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -57.4 | -44 | 176 | -171.6 | 96 | 0 | 0 | 0 | 111.8 | D1142 N1150 | D1142-W1146 PolarHBondContact O-N 3.28Å; W1146-N1150 VanDerWaalsContact CE2-ND2 3.26Å; W1146-N1150 WeakPolarHBondContact O-CB 3.12Å; W1146-N1150 PolarHBondContact O-N 3.49Å; W1146-N1150 PolarHBondContact O-ND2 2.99Å; W1146-N1150 VanDerWaalsContact O-ND2 3.11Å |
| 1147 | R | 42.5 | Very low | 47.6 | Very low | 137 Ų | 137 | 101.9 Ų | 101.9 | 52% | 0.517 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.6 | -41.3 | 175.2 | -73.9 | 171.1 | -170.7 | 174.8 | 7.9 | 112.3 | Q1143 L1144 I1145 N1150 Q1151 | Q1143-R1147 WeakPolarHBondContact O-CB 3.25Å; Q1143-R1147 WeakPolarHBondContact O-CG 3.36Å; Q1143-R1147 PolarHBondContact O-N 3.02Å; L1144-R1147 PolarHBondContact O-N 2.92Å; I1145-R1147 VanDerWaalsContact C-N 3.33Å; I1145-R1147 PolarHBondContact O-N 3.21Å; R1147-N1150 PolarHBondContact O-N 3.39Å; R1147-Q1151 WeakPolarHBondContact O-CG 3.45Å; R1147-Q1151 PolarHBondContact O-N 3.29Å |
| 1148 | Y | 40.1 | Very low | 45.4 | Very low | 146 Ų | 146 | 102.1 Ų | 102.1 | 57% | 0.573 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.5 | -49 | -178.5 | -176.3 | -103.1 | 0 | 0 | 0 | 112 | L1144 I1145 Q1151 | L1144-Y1148 VanDerWaalsContact O-CB 3.26Å; L1144-Y1148 WeakPolarHBondContact O-CB 3.46Å; L1144-Y1148 PolarHBondContact O-N 3.39Å; I1145-Y1148 PolarHBondContact O-N 3.3Å; Y1148-Q1151 PolarHBondContact O-N 3.49Å |
| 1149 | F | 45.7 | Very low | 42.9 | Very low | 77 Ų | 77 | 105.3 Ų | 105.3 | 34% | 0.338 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -71.4 | -34.4 | 176 | -76.2 | -78.1 | 0 | 0 | 0 | 112.4 | I1145 Q1151 Q1152 S1153 I1488 | I1145-F1149 HydrophobicContact CG2-CD2 3.7Å; I1145-F1149 HydrophobicContact CG2-CE2 3.89Å; I1145-F1149 WeakPolarHBondContact O-CD2 3.44Å; I1145-F1149 PolarHBondContact O-N 2.58Å; F1149-Q1151 VanDerWaalsContact C-N 3.27Å; F1149-Q1151 PolarHBondContact O-N 2.95Å; F1149-Q1152 WeakPolarHBondContact O-CA 3.14Å; F1149-Q1152 WeakPolarHBondContact O-CB 3.49Å; F1149-Q1152 PolarHBondContact O-N 3Å; F1149-S1153 PolarHBondContact O-N 3.3Å; F1149-I1488 HydrophobicContact CB-CD1 3.93Å; F1149-I1488 HydrophobicContact CD2-CD1 3.64Å; F1149-I1488 HydrophobicContact CE2-CD1 4.32Å; F1149-I1488 HydrophobicContact CG-CD1 3.79Å |
| 1150 | N | 45.5 | Very low | 40.5 | Very low | 50 Ų | 50 | 109 Ų | 109 | 27% | 0.267 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -71.7 | -15 | 172.5 | -79.9 | -53.2 | 0 | 0 | 0 | 114.6 | W1146 R1147 Q1152 S1153 N1154 | W1146-N1150 VanDerWaalsContact CE2-ND2 3.26Å; W1146-N1150 WeakPolarHBondContact O-CB 3.12Å; W1146-N1150 PolarHBondContact O-N 3.49Å; W1146-N1150 PolarHBondContact O-ND2 2.99Å; W1146-N1150 VanDerWaalsContact O-ND2 3.11Å; R1147-N1150 PolarHBondContact O-N 3.39Å; N1150-Q1152 VanDerWaalsContact C-N 3.34Å; N1150-S1153 VanDerWaalsContact CA-OG 3.3Å; N1150-S1153 WeakPolarHBondContact CA-OG 3.27Å; N1150-S1153 PolarHBondContact O-OG 3.04Å; N1150-S1153 VanDerWaalsContact O-OG 3.09Å; N1150-S1153 PolarHBondContact OD1-OG 3.28Å; N1150-N1154 VanDerWaalsContact O-CB 3.25Å; N1150-N1154 WeakPolarHBondContact O-CB 3.3Å; N1150-N1154 PolarHBondContact O-N 3.08Å; N1150-N1154 PolarHBondContact O-ND2 3.47Å |
| 1151 | Q | 40.1 | Very low | 38.8 | Very low | 135 Ų | 135 | 105.3 Ų | 105.3 | 63% | 0.631 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -72 | -29.7 | 165.2 | -76.8 | 176.4 | 18.2 | 0 | 0 | 111.8 | R1147 Y1148 F1149 L1155 | R1147-Q1151 WeakPolarHBondContact O-CG 3.45Å; R1147-Q1151 PolarHBondContact O-N 3.29Å; Y1148-Q1151 PolarHBondContact O-N 3.49Å; F1149-Q1151 VanDerWaalsContact C-N 3.27Å; F1149-Q1151 PolarHBondContact O-N 2.95Å; Q1151-L1155 WeakPolarHBondContact O-CG 3.46Å; Q1151-L1155 PolarHBondContact O-N 3Å |
| 1152 | Q | 37.2 | Very low | 37.6 | Very low | 121 Ų | 121 | 106.5 Ų | 106.5 | 57% | 0.565 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -75.2 | -34.5 | 171 | -59.9 | -160.4 | 29.6 | 0 | 0 | 112.6 | F1149 N1150 | F1149-Q1152 WeakPolarHBondContact O-CA 3.14Å; F1149-Q1152 WeakPolarHBondContact O-CB 3.49Å; F1149-Q1152 PolarHBondContact O-N 3Å; N1150-Q1152 VanDerWaalsContact C-N 3.34Å |
| 1153 | S | 36.1 | Very low | 36.4 | Very low | 63 Ų | 63 | 106.7 Ų | 106.7 | 44% | 0.441 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -69.8 | -43.3 | 173.3 | 75.7 | 0 | 0 | 0 | 0 | 112.4 | F1149 N1150 L1155 Y1156 | F1149-S1153 PolarHBondContact O-N 3.3Å; N1150-S1153 VanDerWaalsContact CA-OG 3.3Å; N1150-S1153 WeakPolarHBondContact CA-OG 3.27Å; N1150-S1153 PolarHBondContact O-OG 3.04Å; N1150-S1153 VanDerWaalsContact O-OG 3.09Å; N1150-S1153 PolarHBondContact OD1-OG 3.28Å; S1153-L1155 VanDerWaalsContact C-N 3.27Å; S1153-L1155 PolarHBondContact O-N 2.61Å; S1153-Y1156 PolarHBondContact O-N 2.95Å |
| 1154 | N | 34.7 | Very low | 35.8 | Very low | 90 Ų | 90 | 108.6 Ų | 108.6 | 48% | 0.481 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -75.7 | -7.7 | -178.9 | -75.4 | -71.8 | 0 | 0 | 0 | 114.7 | N1150 Y1156 N1157 | N1150-N1154 VanDerWaalsContact O-CB 3.25Å; N1150-N1154 WeakPolarHBondContact O-CB 3.3Å; N1150-N1154 PolarHBondContact O-N 3.08Å; N1150-N1154 PolarHBondContact O-ND2 3.47Å; N1154-Y1156 PolarHBondContact O-N 2.94Å; N1154-Y1156 VanDerWaalsContact O-N 3.07Å; N1154-N1157 PolarHBondContact O-N 2.78Å |
| 1155 | L | 32.8 | Very low | 35.1 | Very low | 130 Ų | 130 | 109 Ų | 109 | 68% | 0.681 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | -5 | 166.3 | -88.9 | 164.6 | 0 | 0 | 0 | 113.6 | Q1151 S1153 | Q1151-L1155 WeakPolarHBondContact O-CG 3.46Å; Q1151-L1155 PolarHBondContact O-N 3Å; S1153-L1155 VanDerWaalsContact C-N 3.27Å; S1153-L1155 PolarHBondContact O-N 2.61Å |
| 1156 | Y | 31.2 | Very low | 34.4 | Very low | 163 Ų | 163 | 113.6 Ų | 113.6 | 64% | 0.639 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.3 | 17 | 166.8 | -99.7 | -91.3 | 0 | 0 | 0 | 115.1 | T543 S1153 N1154 | T543-Y1156 HydrophobicContact CG2-CD1 4.14Å; T543-Y1156 HydrophobicContact CG2-CD2 4.22Å; T543-Y1156 HydrophobicContact CG2-CE1 3.91Å; T543-Y1156 HydrophobicContact CG2-CE2 3.99Å; T543-Y1156 HydrophobicContact CG2-CG 4.3Å; S1153-Y1156 PolarHBondContact O-N 2.95Å; N1154-Y1156 PolarHBondContact O-N 2.94Å; N1154-Y1156 VanDerWaalsContact O-N 3.07Å |
| 1157 | N | 29 | Very low | 33.7 | Very low | 136 Ų | 136 | 110.2 Ų | 110.2 | 73% | 0.727 | 59% | 0.589 | S | S | * | * | trans | -149.6 | 83.4 | 175.4 | -113.2 | -35.6 | 0 | 0 | 0 | 115 | N1154 | N1154-N1157 PolarHBondContact O-N 2.78Š| ||
| 1158 | S | 29 | Very low | 33.1 | Very low | 100 Ų | 100 | 110 Ų | 110 | 70% | 0.699 | 60% | 0.603 | S | S | * | * | trans | -164 | 114.9 | 161.4 | 45.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1159 | N | 28.2 | Very low | 32.6 | Very low | 102 Ų | 102 | 109.2 Ų | 109.2 | 55% | 0.545 | 61% | 0.613 | S | S | . | * | -179.8 | 163 | 125.5 | -101.2 | -64.7 | 0 | 0 | 0 | 113.6 | L1219 | N1159-L1219 VanDerWaalsContact OD1-CD1 3.25Å; N1159-L1219 WeakPolarHBondContact OD1-CD1 3.41Å | |||
| 1160 | T | 28.9 | Very low | 31.9 | Very low | 128 Ų | 128 | 109.8 Ų | 109.8 | 79% | 0.785 | 63% | 0.626 | S | S | * | * | trans | 58 | 91.7 | -179.7 | 57 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1161 | T | 29.9 | Very low | 31.2 | Very low | 96 Ų | 96 | 113.8 Ų | 113.8 | 59% | 0.589 | 65% | 0.648 | S | S | * | * | cis | 78.5 | 137.4 | 10.6 | 73.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 1162 | S | 28.7 | Very low | 30.8 | Very low | 68 Ų | 68 | 114.4 Ų | 114.4 | 48% | 0.476 | 66% | 0.655 | S | S | . | * | trans | 73.3 | 148.4 | 167.7 | 73.4 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1163 | S | 28.9 | Very low | 30.5 | Very low | 84 Ų | 84 | 114.3 Ų | 114.3 | 59% | 0.587 | 66% | 0.663 | S | S | * | * | cis | -169.3 | 173.3 | -15.6 | 47.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1164 | Q | 29.8 | Very low | 30.3 | Very low | 169 Ų | 169 | 117.1 Ų | 117.1 | 79% | 0.79 | 67% | 0.673 | S | S | * | * | cis | -137 | 170.3 | 22.5 | -92.6 | 168 | -113.5 | 0 | 0 | 109.4 | ||||
| 1165 | V | 27.6 | Very low | 30.1 | Very low | 102 Ų | 102 | 118.5 Ų | 118.5 | 62% | 0.618 | 68% | 0.68 | S | S | * | * | cis | 91 | 110.1 | 33.5 | -179.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 1166 | T | 31.5 | Very low | 30.1 | Very low | 132 Ų | 132 | 118.1 Ų | 118.1 | 81% | 0.81 | 68% | 0.679 | S | S | * | * | trans | 176.3 | 130.6 | 138.3 | 37.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1167 | S | 29.5 | Very low | 30.2 | Very low | 86 Ų | 86 | 116.9 Ų | 116.9 | 60% | 0.601 | 68% | 0.683 | S | S | * | * | cis | 113.7 | 96.9 | 18.3 | 67 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1168 | T | 29.9 | Very low | 30.2 | Very low | 133 Ų | 133 | 117.3 Ų | 117.3 | 82% | 0.816 | 69% | 0.685 | S | S | * | * | 91.4 | 163.6 | 97.2 | 50.5 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 1169 | V | 30.8 | Very low | 30.3 | Very low | 128 Ų | 128 | 119.5 Ų | 119.5 | 78% | 0.776 | 69% | 0.689 | S | S | * | * | trans | 97.1 | 114.5 | -172.5 | 179.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1170 | S | 29.9 | Very low | 30.2 | Very low | 89 Ų | 89 | 123 Ų | 123 | 62% | 0.622 | 70% | 0.702 | S | S | * | * | cis | 86.6 | 150.1 | 26.2 | 96.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1171 | D | 30.9 | Very low | 30 | Very low | 135 Ų | 135 | 122.1 Ų | 122.1 | 72% | 0.722 | 70% | 0.7 | S | S | * | * | cis | -140.5 | -150.5 | 3 | -81.5 | -66 | 0 | 0 | 0 | 109.9 | ||||
| 1172 | D | 32 | Very low | 29.8 | Very low | 147 Ų | 147 | 122.6 Ų | 122.6 | 79% | 0.786 | 70% | 0.703 | S | S | * | * | trans | 90.6 | 116.2 | 155.5 | -52.8 | -28.7 | 0 | 0 | 0 | 118.1 | ||||
| 1173 | V | 31.4 | Very low | 29.8 | Very low | 119 Ų | 119 | 126.5 Ų | 126.5 | 72% | 0.721 | 71% | 0.713 | S | S | * | * | 93.5 | 129 | 94.8 | 156.5 | 0 | 0 | 0 | 0 | 111 | |||||
| 1174 | D | 31.3 | Very low | 29.7 | Very low | 123 Ų | 123 | 129.2 Ų | 129.2 | 66% | 0.658 | 72% | 0.72 | S | S | * | * | cis | -163.1 | 170.1 | 13.3 | -118.4 | 6.3 | 0 | 0 | 0 | 110.4 | ||||
| 1175 | N | 30.5 | Very low | 29.6 | Very low | 118 Ų | 118 | 125.9 Ų | 125.9 | 63% | 0.631 | 72% | 0.716 | S | S | * | * | trans | 59 | 164.3 | 141.2 | -69.6 | 30.1 | 0 | 0 | 0 | 121.5 | ||||
| 1176 | D | 33.4 | Very low | 29.5 | Very low | 122 Ų | 122 | 129 Ų | 129 | 65% | 0.652 | 72% | 0.722 | S | S | * | * | cis | -165.9 | 157.9 | -19.4 | -77.2 | -24.4 | 0 | 0 | 0 | 104.7 | ||||
| 1177 | D | 32.7 | Very low | 29.4 | Very low | 138 Ų | 138 | 128.7 Ų | 128.7 | 74% | 0.738 | 72% | 0.719 | S | S | * | * | cis | -164.1 | 168.1 | -39.4 | -108.8 | -6.9 | 0 | 0 | 0 | 109.1 | ||||
| 1178 | D | 28.8 | Very low | 29.2 | Very low | 144 Ų | 144 | 130.7 Ų | 130.7 | 77% | 0.77 | 72% | 0.719 | S | S | * | * | trans | 73.8 | 161 | 153.1 | -70.7 | -24.1 | 0 | 0 | 0 | 126.6 | ||||
| 1179 | D | 31.4 | Very low | 29.1 | Very low | 146 Ų | 146 | 132.3 Ų | 132.3 | 78% | 0.781 | 72% | 0.717 | S | S | * | * | trans | 55.7 | 121.1 | 170.3 | -63.3 | -22.2 | 0 | 0 | 0 | 120.6 | ||||
| 1180 | E | 26.6 | Very low | 29.1 | Very low | 175 Ų | 175 | 129.7 Ų | 129.7 | 82% | 0.818 | 71% | 0.709 | S | S | * | * | 78.5 | 152.6 | 50.3 | -80.6 | -129 | 144 | 0 | 0 | 116.8 | |||||
| 1181 | C | 24.8 | Very low | 29 | Very low | 110 Ų | 110 | 132.5 Ų | 132.5 | 74% | 0.743 | 72% | 0.717 | S | S | * | * | trans | 70.5 | 148.2 | 166.7 | -75.4 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1182 | V | 26.3 | Very low | 29.1 | Very low | 107 Ų | 107 | 132 Ų | 132 | 65% | 0.648 | 72% | 0.719 | S | S | * | * | cis | -164.5 | 152.2 | -27 | 82 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1183 | H | 27.6 | Very low | 29.1 | Very low | 149 Ų | 149 | 129.8 Ų | 129.8 | 69% | 0.69 | 72% | 0.715 | S | S | * | * | trans | 64.4 | 129.7 | 149.5 | -75.2 | -23.7 | 0 | 0 | 0 | 125.9 | ||||
| 1184 | L | 26.3 | Very low | 29.2 | Very low | 141 Ų | 141 | 131.2 Ų | 131.2 | 74% | 0.738 | 72% | 0.717 | S | S | * | * | 69.8 | 155.9 | 125.8 | -62.1 | 170.6 | 0 | 0 | 0 | 119.6 | |||||
| 1185 | S | 28.3 | Very low | 29.1 | Very low | 100 Ų | 100 | 132.6 Ų | 132.6 | 70% | 0.699 | 72% | 0.719 | S | S | * | * | cis | -144.9 | 150.2 | 7.3 | 55.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1186 | K | 25.7 | Very low | 29.1 | Very low | 168 Ų | 168 | 132.5 Ų | 132.5 | 73% | 0.73 | 72% | 0.724 | S | S | * | * | trans | 15.2 | 145.6 | 133.2 | -57 | -177.2 | 178.3 | -175.4 | 0 | 118.6 | ||||
| 1187 | V | 29.1 | Very low | 29.1 | Very low | 124 Ų | 124 | 133.9 Ų | 133.9 | 75% | 0.752 | 73% | 0.729 | S | S | * | * | -154.5 | 124.5 | 64.8 | 164.3 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 1188 | Q | 25.9 | Very low | 29 | Very low | 128 Ų | 128 | 134.7 Ų | 134.7 | 60% | 0.598 | 73% | 0.728 | S | S | * | * | trans | 33.7 | 122.1 | 131.7 | -58.9 | 178.8 | -106.5 | 0 | 0 | 120.6 | ||||
| 1189 | E | 27.2 | Very low | 29.2 | Very low | 167 Ų | 167 | 133.2 Ų | 133.2 | 78% | 0.78 | 73% | 0.726 | S | S | * | * | 82.7 | 148 | 88.3 | -66.6 | 158.8 | -177.7 | 0 | 0 | 113.7 | |||||
| 1190 | A | 30.1 | Very low | 29.2 | Very low | 74 Ų | 74 | 133.9 Ų | 133.9 | 61% | 0.612 | 73% | 0.729 | S | S | * | * | cis | -154.6 | 158.9 | 8.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1191 | D | 29.3 | Very low | 29.6 | Very low | 148 Ų | 148 | 130.6 Ų | 130.6 | 79% | 0.791 | 72% | 0.723 | S | S | * | * | trans | 58.3 | 156.1 | 142.5 | -52.2 | -20.5 | 0 | 0 | 0 | 121.5 | ||||
| 1192 | V | 33.3 | Very low | 29.7 | Very low | 124 Ų | 124 | 133.2 Ų | 133.2 | 75% | 0.752 | 72% | 0.724 | S | S | * | * | cis | -135 | 138.3 | 15.8 | 179.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 1193 | S | 31.4 | Very low | 30 | Very low | 101 Ų | 101 | 135.3 Ų | 135.3 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | trans | -8.7 | 161.9 | 146.3 | -45.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1194 | I | 32.2 | Very low | 29.9 | Very low | 149 Ų | 149 | 136.8 Ų | 136.8 | 76% | 0.764 | 74% | 0.742 | S | S | * | * | -172.6 | 147.1 | 67.6 | -78 | -177.1 | 0 | 0 | 0 | 107.3 | |||||
| 1195 | H | 30.4 | Very low | 30 | Very low | 152 Ų | 152 | 135.2 Ų | 135.2 | 70% | 0.704 | 74% | 0.743 | S | S | * | * | cis | -149.4 | 148.3 | -0.8 | -146.9 | -60.2 | 0 | 0 | 0 | 110.4 | ||||
| 1196 | P | 30.7 | Very low | 29.9 | Very low | 115 Ų | 115 | 136.8 Ų | 136.8 | 75% | 0.747 | 75% | 0.748 | S | S | * | * | trans | -126 | 170.7 | 160.5 | 39.3 | -28.4 | 0 | 0 | 0 | 112.9 | ||||
| 1197 | M | 32.9 | Very low | 30 | Very low | 151 Ų | 151 | 134.4 Ų | 134.4 | 74% | 0.744 | 75% | 0.747 | S | S | * | * | trans | -155.4 | 147.8 | 166.7 | -73.2 | -160.6 | 91.4 | 0 | 0 | 110.2 | ||||
| 1198 | E | 30.2 | Very low | 29.8 | Very low | 155 Ų | 155 | 135.5 Ų | 135.5 | 72% | 0.724 | 74% | 0.744 | S | S | * | * | cis | -166.4 | 135.6 | -15.3 | 178.3 | 172.8 | -114.9 | 0 | 0 | 110 | ||||
| 1199 | P | 34.1 | Very low | 30 | Very low | 113 Ų | 113 | 136.6 Ų | 136.6 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | trans | -137.2 | 139.9 | 173.2 | 38.3 | -23.3 | 0 | 0 | 0 | 116 | ||||
| 1200 | L | 31.9 | Very low | 30 | Very low | 161 Ų | 161 | 135.4 Ų | 135.4 | 84% | 0.843 | 75% | 0.747 | S | S | * | * | trans | -173.3 | 168.7 | 167.5 | -89.9 | 134.5 | 0 | 0 | 0 | 109.7 | ||||
| 1201 | P | 33.5 | Very low | 29.8 | Very low | 105 Ų | 105 | 138.9 Ų | 138.9 | 68% | 0.682 | 76% | 0.755 | S | S | * | * | cis | -135.5 | 150.5 | -31.9 | 36.6 | -19.6 | 0 | 0 | 0 | 116.6 | ||||
| 1202 | Q | 27.9 | Very low | 29.8 | Very low | 166 Ų | 166 | 141.1 Ų | 141.1 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | trans | 18.4 | 137.4 | 140.7 | -50.8 | -178.5 | 14.5 | 0 | 0 | 123.3 | ||||
| 1203 | T | 32.1 | Very low | 29.6 | Very low | 150 Ų | 150 | 142 Ų | 142 | 92% | 0.92 | 76% | 0.757 | S | S | * | * | -154.7 | 165.4 | 125.4 | -0.2 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 1204 | K | 26.3 | Very low | 29.4 | Very low | 181 Ų | 181 | 141 Ų | 141 | 79% | 0.787 | 75% | 0.751 | S | S | * | * | trans | -117.9 | 158.1 | -161.8 | -62.7 | 179.9 | 175.6 | 177.9 | 0 | 115.4 | ||||
| 1205 | S | 27.5 | Very low | 29.3 | Very low | 108 Ų | 108 | 142.6 Ų | 142.6 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | trans | 106.2 | 152.1 | 131.6 | 83.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1206 | V | 27.3 | Very low | 29.2 | Very low | 133 Ų | 133 | 140.8 Ų | 140.8 | 81% | 0.806 | 76% | 0.757 | S | S | * | * | trans | 70.8 | 137.5 | 156.5 | 166.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1207 | V | 25.8 | Very low | 29.1 | Very low | 117 Ų | 117 | 139 Ų | 139 | 71% | 0.709 | 74% | 0.744 | S | S | * | * | cis | -169.5 | 161.1 | -34.8 | 106.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1208 | H | 26.6 | Very low | 29 | Very low | 148 Ų | 148 | 139 Ų | 139 | 69% | 0.685 | 74% | 0.74 | S | S | * | * | trans | 33.7 | 118.6 | 163.2 | -82.4 | -127.2 | 0 | 0 | 0 | 121.2 | ||||
| 1209 | H | 29.6 | Very low | 28.7 | Very low | 150 Ų | 150 | 136.4 Ų | 136.4 | 69% | 0.694 | 73% | 0.73 | S | S | * | * | 171 | 130.7 | 90.2 | -101.1 | -57.3 | 0 | 0 | 0 | 115.2 | |||||
| 1210 | L | 26.8 | Very low | 28.3 | Very low | 142 Ų | 142 | 137.9 Ų | 137.9 | 74% | 0.743 | 73% | 0.732 | S | S | * | * | trans | 46 | 108.3 | 137.3 | -65.6 | 171 | 0 | 0 | 0 | 122 | ||||
| 1211 | N | 25.9 | Very low | 28.2 | Very low | 148 Ų | 148 | 139.9 Ų | 139.9 | 79% | 0.791 | 73% | 0.734 | S | S | * | * | 5.4 | 127.7 | 116 | -70.6 | -22.4 | 0 | 0 | 0 | 118.3 | |||||
| 1212 | K | 29.4 | Very low | 27.9 | Very low | 195 Ų | 195 | 140.4 Ų | 140.4 | 85% | 0.848 | 74% | 0.735 | S | S | * | * | -174.3 | 145.8 | 119.1 | -105.5 | 172.5 | 177.8 | 170.3 | 0 | 116.1 | |||||
| 1213 | L | 28.8 | Very low | 27.8 | Very low | 141 Ų | 141 | 141.7 Ų | 141.7 | 74% | 0.738 | 74% | 0.743 | S | S | * | * | trans | 64.6 | 80.5 | 144.3 | -66.2 | 165.8 | 0 | 0 | 0 | 121.6 | ||||
| 1214 | S | 28.4 | Very low | 27.6 | Very low | 82 Ų | 82 | 142.4 Ų | 142.4 | 57% | 0.573 | 74% | 0.741 | S | S | * | * | 37.1 | 141.4 | 107.1 | 90 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 1215 | K | 28.4 | Very low | 27.8 | Very low | 181 Ų | 181 | 141.9 Ų | 141.9 | 79% | 0.787 | 74% | 0.742 | S | S | * | * | trans | 62.9 | 96.4 | 141.1 | -64 | 160.2 | -176.1 | 163.8 | 0 | 119 | ||||
| 1216 | S | 29.4 | Very low | 27.8 | Very low | 115 Ų | 115 | 142.3 Ų | 142.3 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | -176.5 | 122.7 | 116.7 | 47.8 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 1217 | V | 27.8 | Very low | 28 | Very low | 78 Ų | 78 | 144.3 Ų | 144.3 | 47% | 0.473 | 75% | 0.75 | S | S | . | * | 78.5 | 121.3 | 93 | 177.8 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 1218 | K | 30.9 | Very low | 28.2 | Very low | 151 Ų | 151 | 147.3 Ų | 147.3 | 66% | 0.657 | 75% | 0.754 | S | S | * | * | trans | 78 | 99.7 | 160.9 | -73.6 | 159.6 | -163.4 | 162.3 | 0 | 120.8 | ||||
| 1219 | L | 24.8 | Very low | 28.4 | Very low | 99 Ų | 99 | 147 Ų | 147 | 52% | 0.518 | 76% | 0.757 | S | S | . | * | 36.9 | 134.6 | 129.9 | -76.4 | 83.9 | 0 | 0 | 0 | 121.7 | N1159 | N1159-L1219 VanDerWaalsContact OD1-CD1 3.25Å; N1159-L1219 WeakPolarHBondContact OD1-CD1 3.41Å | |||
| 1220 | N | 25.9 | Very low | 28.5 | Very low | 145 Ų | 145 | 147.6 Ų | 147.6 | 78% | 0.775 | 77% | 0.766 | S | S | * | * | trans | 90.6 | 130.4 | 160.9 | -55.5 | -63.8 | 0 | 0 | 0 | 117.4 | ||||
| 1221 | K | 28.1 | Very low | 28.5 | Very low | 203 Ų | 203 | 150 Ų | 150 | 88% | 0.883 | 77% | 0.773 | S | S | * | * | trans | 75.9 | 56.4 | 164.2 | -52.4 | -179.1 | -179.3 | 177.2 | 0 | 119.8 | ||||
| 1222 | T | 28.4 | Very low | 28.5 | Very low | 116 Ų | 116 | 148.5 Ų | 148.5 | 71% | 0.712 | 77% | 0.774 | S | S | * | * | trans | -155.9 | 100.6 | 150.6 | 10.9 | 0 | 0 | 0 | 0 | 113.2 | Q1225 | T1222-Q1225 HydrophobicContact CG2-CB 4.07Š| ||
| 1223 | M | 25.1 | Very low | 28.5 | Very low | 193 Ų | 193 | 145.5 Ų | 145.5 | 95% | 0.951 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -133.4 | 37 | 157.9 | -165.1 | -175.1 | 167.1 | 0 | 0 | 109.1 | ||
| 1224 | N | 29.3 | Very low | 28.5 | Very low | 164 Ų | 164 | 147.9 Ų | 147.9 | 88% | 0.877 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -153.1 | 13.8 | -169.1 | -110.8 | -21.3 | 0 | 0 | 0 | 113.3 | ||
| 1225 | Q | 30 | Very low | 28.6 | Very low | 170 Ų | 170 | 150.9 Ų | 150.9 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -156 | 13.5 | -174 | -129.1 | 164.2 | 11.5 | 0 | 0 | 117.2 | T1222 | T1222-Q1225 HydrophobicContact CG2-CB 4.07Š|
| 1226 | S | 27.8 | Very low | 28.6 | Very low | 118 Ų | 118 | 145.4 Ų | 145.4 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | trans | -105.2 | 3 | 171.1 | -157.9 | 0 | 0 | 0 | 0 | 113.6 | K1228 | S1226-K1228 VanDerWaalsContact C-N 3.27Å; S1226-K1228 PolarHBondContact O-N 3.49Å; S1226-K1228 VanDerWaalsContact O-N 3.12Å | ||
| 1227 | L | 30.6 | Very low | 28.6 | Very low | 175 Ų | 175 | 145.3 Ų | 145.3 | 92% | 0.916 | 76% | 0.763 | S | S | * | * | trans | -81.7 | 76.4 | 166.8 | -88 | 160.7 | 0 | 0 | 0 | 108.8 | ||||
| 1228 | K | 29.8 | Very low | 28.8 | Very low | 179 Ų | 179 | 146.3 Ų | 146.3 | 78% | 0.778 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -173.1 | 120.1 | 165.7 | -108.9 | 160.4 | -173 | -179 | 0 | 109.6 | S1226 | S1226-K1228 VanDerWaalsContact C-N 3.27Å; S1226-K1228 PolarHBondContact O-N 3.49Å; S1226-K1228 VanDerWaalsContact O-N 3.12Å |
| 1229 | N | 31.1 | Very low | 28.9 | Very low | 143 Ų | 143 | 145.9 Ų | 145.9 | 77% | 0.765 | 77% | 0.77 | S | S | * | * | S | Bend | trans | 63.3 | 102 | 175.7 | -46.4 | 14.4 | 0 | 0 | 0 | 111.1 | ||
| 1230 | D | 31.2 | Very low | 29.2 | Very low | 162 Ų | 162 | 144.5 Ų | 144.5 | 87% | 0.866 | 77% | 0.768 | S | S | * | * | -142 | 180 | 52.5 | -72.2 | -35.9 | 0 | 0 | 0 | 114.8 | |||||
| 1231 | Q | 28.4 | Very low | 29.9 | Very low | 193 Ų | 193 | 141 Ų | 141 | 90% | 0.902 | 75% | 0.749 | S | S | * | * | trans | -119 | 89.1 | -155 | -61.3 | 173 | -45.9 | 0 | 0 | 114.1 | ||||
| 1232 | S | 26 | Very low | 30.2 | Very low | 115 Ų | 115 | 136.9 Ų | 136.9 | 80% | 0.804 | 73% | 0.732 | S | S | * | * | trans | -176.1 | 56.8 | 155 | 62.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1233 | L | 27.5 | Very low | 31.1 | Very low | 132 Ų | 132 | 134.4 Ų | 134.4 | 69% | 0.691 | 72% | 0.718 | S | S | * | * | trans | -159.1 | 116.2 | 167 | -110.5 | 149 | 0 | 0 | 0 | 110.6 | L1144 I1235 | L1144-L1233 HydrophobicContact CD2-CD1 4.13Å; L1233-I1235 PolarHBondContact O-N 2.76Å | ||
| 1234 | H | 28.8 | Very low | 31.9 | Very low | 192 Ų | 192 | 130.3 Ų | 130.3 | 89% | 0.889 | 70% | 0.696 | S | S | * | * | trans | -75.8 | 89.1 | -178 | -107.3 | -87.8 | 0 | 0 | 0 | 111.1 | ||||
| 1235 | I | 31.1 | Very low | 33 | Very low | 145 Ų | 145 | 127.4 Ų | 127.4 | 74% | 0.744 | 68% | 0.684 | S | S | * | * | trans | -90.2 | 115.7 | 160 | -59.1 | 177.7 | 0 | 0 | 0 | 106.8 | L1233 S1237 | L1233-I1235 PolarHBondContact O-N 2.76Å; I1235-S1237 PolarHBondContact O-N 3.06Å | ||
| 1236 | P | 28.4 | Very low | 34.2 | Very low | 66 Ų | 66 | 123 Ų | 123 | 43% | 0.429 | 66% | 0.664 | S | S | . | * | trans | -64.3 | 134.9 | -176.3 | -20.5 | 32.1 | 0 | 0 | 0 | 112.4 | D1241 | P1236-D1241 HydrophobicContact CB-CB 3.36Å; P1236-D1241 HydrophobicContact CG-CB 4.36Å | ||
| 1237 | S | 30.6 | Very low | 35.5 | Very low | 112 Ų | 112 | 120.8 Ų | 120.8 | 78% | 0.783 | 64% | 0.642 | S | S | * | * | trans | -93.6 | -10.9 | -167.6 | 50.5 | 0 | 0 | 0 | 0 | 114.9 | I1235 D1241 | I1235-S1237 PolarHBondContact O-N 3.06Å; S1237-D1241 PolarHBondContact N-OD2 3.37Å | ||
| 1238 | N | 30.2 | Very low | 36.9 | Very low | 100 Ų | 100 | 116.8 Ų | 116.8 | 54% | 0.535 | 62% | 0.621 | S | S | . | * | S | Bend | trans | -116.5 | 156.1 | 172.7 | -65.6 | -58.7 | 0 | 0 | 0 | 112.4 | S1240 D1241 | N1238-S1240 WeakPolarHBondContact CB-OG 3.39Å; N1238-S1240 PolarHBondContact O-N 2.96Å; N1238-D1241 WeakPolarHBondContact CB-OD2 3.25Å; N1238-D1241 PolarHBondContact N-OD2 3.23Å; N1238-D1241 WeakPolarHBondContact O-CB 3.44Å; N1238-D1241 PolarHBondContact O-N 3.13Å; N1238-D1241 VanDerWaalsContact O-N 3.16Å |
| 1239 | I | 33.5 | Very low | 38.4 | Very low | 142 Ų | 142 | 109.5 Ų | 109.5 | 73% | 0.728 | 59% | 0.591 | S | S | * | * | G | 310 helix | trans | -66.1 | -20.3 | 172.3 | -79.6 | 172.9 | 0 | 0 | 0 | 112.4 | D1241 | I1239-D1241 PolarHBondContact O-N 3.24Š|
| 1240 | S | 32.3 | Very low | 40 | Very low | 70 Ų | 70 | 104.9 Ų | 104.9 | 49% | 0.49 | 57% | 0.566 | S | S | . | * | G | 310 helix | trans | -65.3 | -21.1 | 172 | 45.6 | 0 | 0 | 0 | 0 | 114.2 | N1238 | N1238-S1240 WeakPolarHBondContact CB-OG 3.39Å; N1238-S1240 PolarHBondContact O-N 2.96Å |
| 1241 | D | 39.1 | Very low | 41.2 | Very low | 70 Ų | 70 | 102 Ų | 102 | 37% | 0.374 | 55% | 0.549 | S | S | . | . | G | 310 helix | trans | -95.4 | -7.3 | -165.8 | -44.8 | -17.4 | 0 | 0 | 0 | 111.6 | P1236 S1237 N1238 I1239 | P1236-D1241 HydrophobicContact CB-CB 3.36Å; P1236-D1241 HydrophobicContact CG-CB 4.36Å; S1237-D1241 PolarHBondContact N-OD2 3.37Å; N1238-D1241 WeakPolarHBondContact CB-OD2 3.25Å; N1238-D1241 PolarHBondContact N-OD2 3.23Å; N1238-D1241 WeakPolarHBondContact O-CB 3.44Å; N1238-D1241 PolarHBondContact O-N 3.13Å; N1238-D1241 VanDerWaalsContact O-N 3.16Å; I1239-D1241 PolarHBondContact O-N 3.24Å |
| 1242 | F | 34.9 | Very low | 42.8 | Very low | 117 Ų | 117 | 99.8 Ų | 99.8 | 51% | 0.513 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -74.7 | 136.9 | 156.7 | -81.4 | -94.3 | 0 | 0 | 0 | 108.5 | H1244 I1247 | F1242-H1244 PolarHBondContact O-N 2.83Å; F1242-I1247 HydrophobicContact CB-CD1 3.65Å; F1242-I1247 HydrophobicContact CD1-CD1 4.03Å; F1242-I1247 HydrophobicContact CG-CD1 3.89Å |
| 1243 | P | 46.6 | Very low | 44.7 | Very low | 64 Ų | 64 | 97 Ų | 97 | 42% | 0.416 | 50% | 0.504 | S | S | . | . | trans | -59.3 | 105.4 | 170.1 | 24.6 | -32.9 | 0 | 0 | 0 | 109 | T1245 E1246 | P1243-T1245 PolarHBondContact O-N 3.15Å; P1243-E1246 HydrophobicContact CB-CG 4.17Å; P1243-E1246 HydrophobicContact CG-CB 4.14Å; P1243-E1246 HydrophobicContact CG-CG 3.7Å; P1243-E1246 PolarHBondContact O-N 3.01Å | ||
| 1244 | H | 42.2 | Very low | 46.2 | Very low | 108 Ų | 108 | 94 Ų | 94 | 50% | 0.5 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -52.9 | -32.5 | -176.1 | -88.2 | -79.7 | 0 | 0 | 0 | 112 | F1242 I1247 L1248 | F1242-H1244 PolarHBondContact O-N 2.83Å; H1244-I1247 PolarHBondContact O-N 3.42Å; H1244-L1248 VanDerWaalsContact O-CB 3.28Å; H1244-L1248 WeakPolarHBondContact O-CB 3.34Å; H1244-L1248 WeakPolarHBondContact O-CD1 3.31Å; H1244-L1248 WeakPolarHBondContact O-CG 3.48Å; H1244-L1248 PolarHBondContact O-N 3.36Å |
| 1245 | T | 53.5 | Low | 47.7 | Very low | 103 Ų | 103 | 91.5 Ų | 91.5 | 63% | 0.632 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -54.9 | -46.8 | 173.1 | 44.6 | 0 | 0 | 0 | 0 | 113.4 | P1243 L1248 D1249 | P1243-T1245 PolarHBondContact O-N 3.15Å; T1245-L1248 PolarHBondContact O-N 3.48Å; T1245-D1249 PolarHBondContact O-N 2.86Å |
| 1246 | E | 55.5 | Low | 49.2 | Very low | 76 Ų | 76 | 87.9 Ų | 87.9 | 36% | 0.355 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -66.7 | -42.9 | -178.4 | -66.5 | -156.6 | 144.5 | 0 | 0 | 112.1 | P1243 L1248 D1249 D1250 R1411 | P1243-E1246 HydrophobicContact CB-CG 4.17Å; P1243-E1246 HydrophobicContact CG-CB 4.14Å; P1243-E1246 HydrophobicContact CG-CG 3.7Å; P1243-E1246 PolarHBondContact O-N 3.01Å; E1246-L1248 VanDerWaalsContact C-N 3.32Å; E1246-D1249 PolarHBondContact O-N 3.36Å; E1246-D1250 WeakPolarHBondContact O-CB 3.5Å; E1246-D1250 PolarHBondContact O-N 3.17Å; E1246-R1411 VanDerWaalsContact CD-CZ 3.5Å; E1246-R1411 IonicContact OE1-CZ 3.8Å; E1246-R1411 IonicContact OE1-NE 2.93Å; E1246-R1411 IonicContact OE1-NH1 3.99Å; E1246-R1411 PolarHBondContact OE1-NH1 3.29Å; E1246-R1411 IonicContact OE2-CZ 3.5Å; E1246-R1411 IonicContact OE2-NH1 3.42Å; E1246-R1411 PolarHBondContact OE2-NH1 2.95Å; E1246-R1411 IonicContact OE2-NH2 2.87Å |
| 1247 | I | 54.1 | Low | 50.7 | Low | 73 Ų | 73 | 89.1 Ų | 89.1 | 37% | 0.374 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.6 | -37.9 | 176.6 | -63.3 | 179.8 | 0 | 0 | 0 | 110.3 | F1242 H1244 M1251 | F1242-I1247 HydrophobicContact CB-CD1 3.65Å; F1242-I1247 HydrophobicContact CD1-CD1 4.03Å; F1242-I1247 HydrophobicContact CG-CD1 3.89Å; H1244-I1247 PolarHBondContact O-N 3.42Å; I1247-M1251 WeakPolarHBondContact O-CB 3.45Å; I1247-M1251 VanDerWaalsContact O-CG 3.29Å; I1247-M1251 WeakPolarHBondContact O-CG 3.43Å; I1247-M1251 PolarHBondContact O-N 2.92Å |
| 1248 | L | 60.4 | Low | 52.5 | Low | 91 Ų | 91 | 88 Ų | 88 | 48% | 0.476 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -67.2 | -37.7 | 176.3 | -75.1 | 168.6 | 0 | 0 | 0 | 112.4 | H1244 T1245 E1246 M1251 R1252 | H1244-L1248 VanDerWaalsContact O-CB 3.28Å; H1244-L1248 WeakPolarHBondContact O-CB 3.34Å; H1244-L1248 WeakPolarHBondContact O-CD1 3.31Å; H1244-L1248 WeakPolarHBondContact O-CG 3.48Å; H1244-L1248 PolarHBondContact O-N 3.36Å; T1245-L1248 PolarHBondContact O-N 3.48Å; E1246-L1248 VanDerWaalsContact C-N 3.32Å; L1248-M1251 CarbonylContact O-C 3.52Å; L1248-M1251 WeakPolarHBondContact O-CB 3.46Å; L1248-M1251 PolarHBondContact O-N 3.32Å; L1248-R1252 WeakPolarHBondContact O-CB 3.32Å; L1248-R1252 VanDerWaalsContact O-CG 3.25Å; L1248-R1252 WeakPolarHBondContact O-CG 3.17Å; L1248-R1252 PolarHBondContact O-N 3.42Å |
| 1249 | D | 61.9 | Low | 54.5 | Low | 26 Ų | 26 | 84.8 Ų | 84.8 | 14% | 0.139 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -72.3 | -42.1 | 174.1 | -97.4 | 15.1 | 0 | 0 | 0 | 112.1 | T1245 E1246 M1251 R1252 R1253 R1263 | T1245-D1249 PolarHBondContact O-N 2.86Å; E1246-D1249 PolarHBondContact O-N 3.36Å; D1249-M1251 PolarHBondContact O-N 2.85Å; D1249-R1252 PolarHBondContact O-N 2.66Å; D1249-R1252 VanDerWaalsContact O-N 3.1Å; D1249-R1252 WeakPolarHBondContact OD1-CD 3.49Å; D1249-R1252 IonicContact OD1-CZ 3.47Å; D1249-R1252 IonicContact OD1-NE 2.69Å; D1249-R1252 IonicContact OD1-NH1 3.86Å; D1249-R1252 PolarHBondContact OD1-NH1 3.31Å; D1249-R1253 WeakPolarHBondContact O-CG 3.48Å; D1249-R1253 PolarHBondContact O-N 2.8Å; D1249-R1263 IonicContact OD1-NH2 2.72Å; D1249-R1263 IonicContact OD2-CZ 3.7Å; D1249-R1263 IonicContact OD2-NH1 3.12Å; D1249-R1263 PolarHBondContact OD2-NH1 2.85Å; D1249-R1263 VanDerWaalsContact OD2-NH1 3.15Å; D1249-R1263 IonicContact OD2-NH2 2.86Å; D1249-R1263 PolarHBondContact OD2-NH2 3.1Å |
| 1250 | D | 64.1 | Low | 56.2 | Low | 45 Ų | 45 | 81.2 Ų | 81.2 | 24% | 0.241 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -60.1 | -28 | 170.5 | -92.2 | 56.9 | 0 | 0 | 0 | 112.9 | E1246 R1253 F1254 R1411 | E1246-D1250 WeakPolarHBondContact O-CB 3.5Å; E1246-D1250 PolarHBondContact O-N 3.17Å; D1250-R1253 IonicContact OD1-CZ 3.24Å; D1250-R1253 IonicContact OD1-NH1 2.65Å; D1250-R1253 PolarHBondContact OD1-NH1 2.82Å; D1250-R1253 IonicContact OD1-NH2 3.63Å; D1250-R1253 PolarHBondContact OD1-NH2 3.43Å; D1250-R1253 IonicContact OD2-NH2 3.89Å; D1250-F1254 VanDerWaalsContact O-CB 3.29Å; D1250-F1254 WeakPolarHBondContact O-CB 3.27Å; D1250-R1411 IonicContact OD1-CZ 2.68Å; D1250-R1411 IonicContact OD1-NE 3.93Å; D1250-R1411 IonicContact OD1-NH2 3.29Å; D1250-R1411 PolarHBondContact OD1-NH2 3.14Å; D1250-R1411 IonicContact OD2-NH2 3.68Å |
| 1251 | M | 56.4 | Low | 58.3 | Low | 103 Ų | 103 | 82.8 Ų | 82.8 | 51% | 0.507 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -77.8 | -43.2 | 169.2 | -80 | -174 | 159.7 | 0 | 0 | 112.8 | I1247 L1248 D1249 F1254 I1255 | I1247-M1251 WeakPolarHBondContact O-CB 3.45Å; I1247-M1251 VanDerWaalsContact O-CG 3.29Å; I1247-M1251 WeakPolarHBondContact O-CG 3.43Å; I1247-M1251 PolarHBondContact O-N 2.92Å; L1248-M1251 CarbonylContact O-C 3.52Å; L1248-M1251 WeakPolarHBondContact O-CB 3.46Å; L1248-M1251 PolarHBondContact O-N 3.32Å; D1249-M1251 PolarHBondContact O-N 2.85Å; M1251-F1254 CarbonylContact O-C 3.28Å; M1251-F1254 WeakPolarHBondContact O-CB 3.48Å; M1251-F1254 PolarHBondContact O-N 2.96Å; M1251-F1254 VanDerWaalsContact O-N 3.13Å; M1251-I1255 HydrophobicContact CB-CD1 4.35Å; M1251-I1255 WeakPolarHBondContact O-CB 3.31Å; M1251-I1255 VanDerWaalsContact O-CG1 3.25Å; M1251-I1255 WeakPolarHBondContact O-CG1 3.34Å; M1251-I1255 PolarHBondContact O-N 3.44Å |
| 1252 | R | 62.6 | Low | 60.3 | Low | 146 Ų | 146 | 83.4 Ų | 83.4 | 55% | 0.551 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -59.3 | -54.5 | 177.9 | -78.3 | 160.2 | 168.4 | 175.3 | -5.7 | 111.4 | L1248 D1249 F1254 I1255 D1256 | L1248-R1252 WeakPolarHBondContact O-CB 3.32Å; L1248-R1252 VanDerWaalsContact O-CG 3.25Å; L1248-R1252 WeakPolarHBondContact O-CG 3.17Å; L1248-R1252 PolarHBondContact O-N 3.42Å; D1249-R1252 PolarHBondContact O-N 2.66Å; D1249-R1252 VanDerWaalsContact O-N 3.1Å; D1249-R1252 WeakPolarHBondContact OD1-CD 3.49Å; D1249-R1252 IonicContact OD1-CZ 3.47Å; D1249-R1252 IonicContact OD1-NE 2.69Å; D1249-R1252 IonicContact OD1-NH1 3.86Å; D1249-R1252 PolarHBondContact OD1-NH1 3.31Å; R1252-F1254 PolarHBondContact O-N 3.03Å; R1252-I1255 PolarHBondContact O-N 3.05Å; R1252-D1256 PolarHBondContact O-N 2.88Å |
| 1253 | R | 64.3 | Low | 62.8 | Low | 56 Ų | 56 | 79.7 Ų | 79.7 | 21% | 0.211 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -58.6 | -14.9 | 175.8 | -59.3 | -169.1 | -43.3 | -87.1 | -7.3 | 113.4 | D1249 D1250 D1259 V1410 | D1249-R1253 WeakPolarHBondContact O-CG 3.48Å; D1249-R1253 PolarHBondContact O-N 2.8Å; D1250-R1253 IonicContact OD1-CZ 3.24Å; D1250-R1253 IonicContact OD1-NH1 2.65Å; D1250-R1253 PolarHBondContact OD1-NH1 2.82Å; D1250-R1253 IonicContact OD1-NH2 3.63Å; D1250-R1253 PolarHBondContact OD1-NH2 3.43Å; D1250-R1253 IonicContact OD2-NH2 3.89Å; R1253-D1259 PolarHBondContact N-OD2 3.32Å; R1253-V1410 PolarHBondContact NH1-O 3.08Å |
| 1254 | F | 60.6 | Low | 64.9 | Low | 69 Ų | 69 | 79.5 Ų | 79.5 | 30% | 0.303 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -101.2 | -25.9 | 177.8 | 177.6 | -98.3 | 0 | 0 | 0 | 114.1 | N694 R696 D1250 M1251 R1252 | N694-F1254 VanDerWaalsContact CG-CZ 3.49Å; N694-F1254 VanDerWaalsContact ND2-CE2 3.32Å; N694-F1254 WeakPolarHBondContact ND2-CE2 3.31Å; N694-F1254 WeakPolarHBondContact ND2-CZ 3.34Å; N694-F1254 WeakPolarHBondContact OD1-CE2 3.25Å; N694-F1254 WeakPolarHBondContact OD1-CZ 3.39Å; R696-F1254 HydrophobicContact CB-CD2 4.4Å; R696-F1254 HydrophobicContact CB-CE1 4.12Å; R696-F1254 HydrophobicContact CB-CE2 3.61Å; R696-F1254 HydrophobicContact CB-CZ 3.46Å; R696-F1254 VanDerWaalsContact CB-CZ 3.46Å; R696-F1254 HydrophobicContact CG-CD2 4.33Å; R696-F1254 HydrophobicContact CG-CE2 3.8Å; R696-F1254 HydrophobicContact CG-CZ 4.2Å; D1250-F1254 VanDerWaalsContact O-CB 3.29Å; D1250-F1254 WeakPolarHBondContact O-CB 3.27Å; M1251-F1254 CarbonylContact O-C 3.28Å; M1251-F1254 WeakPolarHBondContact O-CB 3.48Å; M1251-F1254 PolarHBondContact O-N 2.96Å; M1251-F1254 VanDerWaalsContact O-N 3.13Å; R1252-F1254 PolarHBondContact O-N 3.03Å |
| 1255 | I | 59 | Low | 67.4 | Low | 139 Ų | 139 | 75.9 Ų | 75.9 | 71% | 0.713 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -85.7 | -44.9 | 177.2 | -71.5 | 164.2 | 0 | 0 | 0 | 110.4 | M1251 R1252 | M1251-I1255 HydrophobicContact CB-CD1 4.35Å; M1251-I1255 WeakPolarHBondContact O-CB 3.31Å; M1251-I1255 VanDerWaalsContact O-CG1 3.25Å; M1251-I1255 WeakPolarHBondContact O-CG1 3.34Å; M1251-I1255 PolarHBondContact O-N 3.44Å; R1252-I1255 PolarHBondContact O-N 3.05Å |
| 1256 | D | 63.9 | Low | 69.4 | Low | 70 Ų | 70 | 71.6 Ų | 71.6 | 37% | 0.374 | 36% | 0.36 | S | S | . | . | trans | -113.1 | 116.6 | 177.2 | -169.6 | -4.9 | 0 | 0 | 0 | 110.5 | R1252 N1258 D1259 | R1252-D1256 PolarHBondContact O-N 2.88Å; D1256-N1258 VanDerWaalsContact C-N 3.26Å; D1256-N1258 PolarHBondContact O-N 3.11Å; D1256-N1258 VanDerWaalsContact OD1-CB 3.3Å; D1256-N1258 WeakPolarHBondContact OD1-CB 3.43Å; D1256-N1258 PolarHBondContact OD1-N 2.94Å; D1256-D1259 HydrophobicContact CB-CB 4.27Å | ||
| 1257 | S | 59.9 | Low | 71.3 | Confident | 91 Ų | 91 | 70.1 Ų | 70.1 | 64% | 0.636 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -76.9 | -11.4 | 175.8 | 53.5 | 0 | 0 | 0 | 0 | 113.8 | ||
| 1258 | N | 67.4 | Low | 73.1 | Confident | 88 Ų | 88 | 67.3 Ų | 67.3 | 47% | 0.471 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -87.2 | -25.3 | 178.2 | -58.5 | -9.7 | 0 | 0 | 0 | 111.7 | D1256 L1260 I1261 N1262 | D1256-N1258 VanDerWaalsContact C-N 3.26Å; D1256-N1258 PolarHBondContact O-N 3.11Å; D1256-N1258 VanDerWaalsContact OD1-CB 3.3Å; D1256-N1258 WeakPolarHBondContact OD1-CB 3.43Å; D1256-N1258 PolarHBondContact OD1-N 2.94Å; N1258-L1260 PolarHBondContact O-N 2.88Å; N1258-I1261 WeakPolarHBondContact O-CA 3.34Å; N1258-I1261 WeakPolarHBondContact O-CB 3.17Å; N1258-I1261 PolarHBondContact O-N 2.78Å; N1258-N1262 PolarHBondContact O-N 3.39Å; N1258-N1262 PolarHBondContact O-OD1 3.3Å |
| 1259 | D | 71.9 | Confident | 74.4 | Confident | 33 Ų | 33 | 65.3 Ų | 65.3 | 18% | 0.176 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -39.5 | 171.1 | -176.8 | 35.6 | 0 | 0 | 0 | 111.3 | R1253 D1256 I1261 R1263 | R1253-D1259 PolarHBondContact N-OD2 3.32Å; D1256-D1259 HydrophobicContact CB-CB 4.27Å; D1259-I1261 PolarHBondContact O-N 3.31Å; D1259-R1263 VanDerWaalsContact CG-NE 3.29Å; D1259-R1263 VanDerWaalsContact O-CD 3.3Å; D1259-R1263 WeakPolarHBondContact O-CD 3.33Å; D1259-R1263 WeakPolarHBondContact O-CG 3.45Å; D1259-R1263 PolarHBondContact O-N 2.96Å; D1259-R1263 IonicContact OD1-CZ 2.75Å; D1259-R1263 IonicContact OD1-NE 3.57Å; D1259-R1263 PolarHBondContact OD1-NE 2.7Å; D1259-R1263 IonicContact OD1-NH2 2.82Å; D1259-R1263 PolarHBondContact OD1-NH2 3.04Å; D1259-R1263 VanDerWaalsContact OD1-NH2 3.16Å; D1259-R1263 IonicContact OD2-CZ 3.44Å; D1259-R1263 IonicContact OD2-NE 2.72Å; D1259-R1263 PolarHBondContact OD2-NE 2.97Å; D1259-R1263 IonicContact OD2-NH2 3.21Å; D1259-R1263 PolarHBondContact OD2-NH2 3.33Å |
| 1260 | L | 70.5 | Confident | 75.6 | Confident | 68 Ų | 68 | 65 Ų | 65 | 36% | 0.356 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -25.9 | 176.3 | -158.3 | 78.5 | 0 | 0 | 0 | 113.9 | N1258 I1408 V1410 | N1258-L1260 PolarHBondContact O-N 2.88Å; L1260-I1408 HydrophobicContact CD1-CG2 4Å; L1260-I1408 HydrophobicContact CG-CG2 4.11Å; L1260-V1410 HydrophobicContact CD1-CG1 4.14Å |
| 1261 | I | 75.7 | Confident | 76.7 | Confident | 102 Ų | 102 | 65.3 Ų | 65.3 | 52% | 0.523 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -41.5 | 177 | -58.7 | 176.5 | 0 | 0 | 0 | 109.4 | N1258 D1259 R1263 I1264 | N1258-I1261 WeakPolarHBondContact O-CA 3.34Å; N1258-I1261 WeakPolarHBondContact O-CB 3.17Å; N1258-I1261 PolarHBondContact O-N 2.78Å; D1259-I1261 PolarHBondContact O-N 3.31Å; I1261-R1263 PolarHBondContact O-N 3.29Å; I1261-I1264 HydrophobicContact CG2-CD1 4.27Å; I1261-I1264 WeakPolarHBondContact O-CB 3.42Å; I1261-I1264 WeakPolarHBondContact O-CG1 3.46Å; I1261-I1264 PolarHBondContact O-N 3.21Å |
| 1262 | N | 81.5 | Confident | 77.9 | Confident | 83 Ų | 83 | 63.4 Ų | 63.4 | 44% | 0.444 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -8.3 | 177.4 | -62.6 | -1.3 | 0 | 0 | 0 | 113.4 | N1258 | N1258-N1262 PolarHBondContact O-N 3.39Å; N1258-N1262 PolarHBondContact O-OD1 3.3Å |
| 1263 | R | 86.4 | Confident | 78.6 | Confident | 40 Ų | 40 | 62.4 Ų | 62.4 | 15% | 0.151 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | 9.2 | 175.5 | -69.8 | 167.1 | -171.8 | -121 | 15.9 | 113.4 | D1249 D1259 I1261 V1265 I1408 Q1409 V1410 | D1249-R1263 IonicContact OD1-NH2 2.72Å; D1249-R1263 IonicContact OD2-CZ 3.7Å; D1249-R1263 IonicContact OD2-NH1 3.12Å; D1249-R1263 PolarHBondContact OD2-NH1 2.85Å; D1249-R1263 VanDerWaalsContact OD2-NH1 3.15Å; D1249-R1263 IonicContact OD2-NH2 2.86Å; D1249-R1263 PolarHBondContact OD2-NH2 3.1Å; D1259-R1263 VanDerWaalsContact CG-NE 3.29Å; D1259-R1263 VanDerWaalsContact O-CD 3.3Å; D1259-R1263 WeakPolarHBondContact O-CD 3.33Å; D1259-R1263 WeakPolarHBondContact O-CG 3.45Å; D1259-R1263 PolarHBondContact O-N 2.96Å; D1259-R1263 IonicContact OD1-CZ 2.75Å; D1259-R1263 IonicContact OD1-NE 3.57Å; D1259-R1263 PolarHBondContact OD1-NE 2.7Å; D1259-R1263 IonicContact OD1-NH2 2.82Å; D1259-R1263 PolarHBondContact OD1-NH2 3.04Å; D1259-R1263 VanDerWaalsContact OD1-NH2 3.16Å; D1259-R1263 IonicContact OD2-CZ 3.44Å; D1259-R1263 IonicContact OD2-NE 2.72Å; D1259-R1263 PolarHBondContact OD2-NE 2.97Å; D1259-R1263 IonicContact OD2-NH2 3.21Å; D1259-R1263 PolarHBondContact OD2-NH2 3.33Å; I1261-R1263 PolarHBondContact O-N 3.29Å; R1263-V1265 PolarHBondContact O-N 3.24Å; R1263-I1408 HydrophobicContact CB-CG2 4.23Å; R1263-I1408 CarbonylContact O-C 3.6Å; R1263-I1408 WeakPolarHBondContact O-CA 3.28Å; R1263-Q1409 WeakPolarHBondContact CD-O 3.46Å; R1263-Q1409 PolarHBondContact O-N 2.88Å; R1263-V1410 PolarHBondContact NH1-O 3.02Å |
| 1264 | I | 91.4 | Very high | 78.7 | Confident | 59 Ų | 59 | 67.2 Ų | 67.2 | 30% | 0.303 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 110.2 | 173.1 | -60.9 | 170.9 | 0 | 0 | 0 | 108.2 | I1261 Y1266 D1267 I1408 | I1261-I1264 HydrophobicContact CG2-CD1 4.27Å; I1261-I1264 WeakPolarHBondContact O-CB 3.42Å; I1261-I1264 WeakPolarHBondContact O-CG1 3.46Å; I1261-I1264 PolarHBondContact O-N 3.21Å; I1264-Y1266 WeakPolarHBondContact CG2-O 3.32Å; I1264-D1267 HydrophobicContact CG2-CB 4.06Å; I1264-I1408 HydrophobicContact CG1-CG1 4.25Å |
| 1265 | V | 94.3 | Very high | 78.7 | Confident | 32 Ų | 32 | 66.9 Ų | 66.9 | 19% | 0.194 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | -10.3 | -178.2 | -61.3 | 0 | 0 | 0 | 0 | 113.2 | R1263 H1392 F1395 A1407 Q1409 Y1415 | R1263-V1265 PolarHBondContact O-N 3.24Å; V1265-H1392 HydrophobicContact CG1-CB 3.95Å; V1265-F1395 HydrophobicContact CG2-CD2 3.89Å; V1265-F1395 HydrophobicContact CG2-CE2 3.71Å; V1265-A1407 HydrophobicContact CG2-CB 3.91Å; V1265-A1407 PolarHBondContact N-O 3.35Å; V1265-Q1409 HydrophobicContact CG1-CB 4.14Å; V1265-Y1415 HydrophobicContact CG2-CD1 4.21Å; V1265-Y1415 HydrophobicContact CG2-CE1 4.03Å |
| 1266 | Y | 96.4 | Very high | 78.3 | Confident | 13 Ų | 13 | 63.6 Ų | 63.6 | 5% | 0.051 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 134.4 | 171.8 | -176.5 | -102.5 | 0 | 0 | 0 | 110.2 | I1264 L1268 L1271 F1395 E1396 S1397 L1404 K1406 A1407 | I1264-Y1266 WeakPolarHBondContact CG2-O 3.32Å; Y1266-L1268 HydrophobicContact CE1-CB 4.06Å; Y1266-L1271 HydrophobicContact CD2-CD1 4.05Å; Y1266-L1271 HydrophobicContact CE2-CD1 3.47Å; Y1266-L1271 VanDerWaalsContact CE2-CD1 3.47Å; Y1266-F1395 HydrophobicContact CD2-CB 4.15Å; Y1266-F1395 WeakPolarHBondContact CD2-O 3.26Å; Y1266-F1395 WeakPolarHBondContact CE2-O 3.39Å; Y1266-F1395 HydrophobicContact CG-CB 3.98Å; Y1266-E1396 PolarHBondContact OH-OE1 2.71Å; Y1266-S1397 PolarHBondContact OH-N 2.9Å; Y1266-S1397 VanDerWaalsContact OH-N 3.09Å; Y1266-S1397 PolarHBondContact OH-OG 2.95Å; Y1266-L1404 HydrophobicContact CD1-CD2 4.17Å; Y1266-L1404 HydrophobicContact CD1-CG 4.29Å; Y1266-L1404 HydrophobicContact CE1-CD2 4.49Å; Y1266-L1404 HydrophobicContact CE1-CG 4.42Å; Y1266-K1406 WeakPolarHBondContact O-CA 3.44Å; Y1266-K1406 WeakPolarHBondContact O-CB 3.35Å; Y1266-A1407 PolarHBondContact N-O 2.85Å; Y1266-A1407 PolarHBondContact O-N 2.65Å |
| 1267 | D | 94.1 | Very high | 77.2 | Confident | 46 Ų | 46 | 65.2 Ų | 65.2 | 25% | 0.246 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 101.1 | 173.7 | -167.4 | -12.9 | 0 | 0 | 0 | 112.4 | I1264 D1269 G1270 L1271 K1406 | I1264-D1267 HydrophobicContact CG2-CB 4.06Å; D1267-D1269 VanDerWaalsContact C-N 3.27Å; D1267-D1269 PolarHBondContact O-N 3.34Å; D1267-D1269 WeakPolarHBondContact OD1-CA 3.41Å; D1267-D1269 VanDerWaalsContact OD1-CB 3.24Å; D1267-D1269 WeakPolarHBondContact OD1-CB 3.16Å; D1267-D1269 PolarHBondContact OD1-N 3.49Å; D1267-G1270 WeakPolarHBondContact O-CA 3.29Å; D1267-G1270 PolarHBondContact O-N 3.38Å; D1267-G1270 PolarHBondContact OD1-N 3.11Å; D1267-L1271 WeakPolarHBondContact O-CG 3.34Å; D1267-L1271 PolarHBondContact O-N 2.9Å; D1267-K1406 IonicContact OD1-NZ 2.81Å; D1267-K1406 PolarHBondContact OD1-NZ 3.25Å; D1267-K1406 IonicContact OD2-NZ 3.94Å; D1267-K1406 PolarHBondContact OD2-NZ 3.21Å |
| 1268 | L | 92.4 | Very high | 76.2 | Confident | 13 Ų | 13 | 66.9 Ų | 66.9 | 7% | 0.068 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.4 | -31.8 | 175.3 | -174.1 | 63.1 | 0 | 0 | 0 | 112.6 | Y1266 G1270 I1272 R1398 R1405 | Y1266-L1268 HydrophobicContact CE1-CB 4.06Å; L1268-G1270 PolarHBondContact O-N 3.31Å; L1268-I1272 HydrophobicContact CD1-CD1 3.85Å; L1268-I1272 HydrophobicContact CD1-CG1 4.11Å; L1268-I1272 HydrophobicContact CG-CD1 3.85Å; L1268-I1272 HydrophobicContact CG-CG1 4.49Å; L1268-I1272 WeakPolarHBondContact O-CG1 3.43Å; L1268-I1272 PolarHBondContact O-N 2.95Å; L1268-R1398 HydrophobicContact CD1-CG 3.55Å; L1268-R1405 WeakPolarHBondContact CB-O 3.35Å; L1268-R1405 PolarHBondContact N-O 3.17Å |
| 1269 | D | 88.5 | Confident | 74.5 | Confident | 49 Ų | 49 | 67.5 Ų | 67.5 | 26% | 0.262 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.8 | -25.8 | 172.5 | -63.8 | -69.5 | 0 | 0 | 0 | 111.2 | D1267 K1273 R1405 K1406 | D1267-D1269 VanDerWaalsContact C-N 3.27Å; D1267-D1269 PolarHBondContact O-N 3.34Å; D1267-D1269 WeakPolarHBondContact OD1-CA 3.41Å; D1267-D1269 VanDerWaalsContact OD1-CB 3.24Å; D1267-D1269 WeakPolarHBondContact OD1-CB 3.16Å; D1267-D1269 PolarHBondContact OD1-N 3.49Å; D1269-K1273 WeakPolarHBondContact O-CG 3.49Å; D1269-K1273 PolarHBondContact O-NZ 2.94Å; D1269-R1405 VanDerWaalsContact CG-NH2 3.3Å; D1269-R1405 IonicContact OD1-CZ 2.7Å; D1269-R1405 IonicContact OD1-NE 2.73Å; D1269-R1405 PolarHBondContact OD1-NE 3Å; D1269-R1405 IonicContact OD1-NH2 3.74Å; D1269-R1405 PolarHBondContact OD1-NH2 3.02Å; D1269-R1405 IonicContact OD2-CZ 2.72Å; D1269-R1405 IonicContact OD2-NE 3.83Å; D1269-R1405 PolarHBondContact OD2-NE 3.2Å; D1269-R1405 IonicContact OD2-NH2 3.92Å; D1269-R1405 PolarHBondContact OD2-NH2 2.71Å; D1269-K1406 IonicContact OD2-NZ 3.73Å; D1269-K1406 PolarHBondContact OD2-NZ 3.26Å |
| 1270 | G | 86.2 | Confident | 72.7 | Confident | 20 Ų | 20 | 68.3 Ų | 68.3 | 21% | 0.206 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -79.4 | -56 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | D1267 L1268 I1272 K1273 F1274 | D1267-G1270 WeakPolarHBondContact O-CA 3.29Å; D1267-G1270 PolarHBondContact O-N 3.38Å; D1267-G1270 PolarHBondContact OD1-N 3.11Å; L1268-G1270 PolarHBondContact O-N 3.31Å; G1270-I1272 PolarHBondContact O-N 3.18Å; G1270-K1273 WeakPolarHBondContact O-CB 3.47Å; G1270-K1273 PolarHBondContact O-N 2.98Å; G1270-F1274 WeakPolarHBondContact O-CD2 3.24Å; G1270-F1274 PolarHBondContact O-N 3.29Å |
| 1271 | L | 86.5 | Confident | 70.9 | Confident | 52 Ų | 52 | 71.7 Ų | 71.7 | 27% | 0.272 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -53.4 | -47.8 | -175.3 | -66.6 | 166 | 0 | 0 | 0 | 112.5 | Y1266 D1267 K1273 F1274 Q1275 | Y1266-L1271 HydrophobicContact CD2-CD1 4.05Å; Y1266-L1271 HydrophobicContact CE2-CD1 3.47Å; Y1266-L1271 VanDerWaalsContact CE2-CD1 3.47Å; D1267-L1271 WeakPolarHBondContact O-CG 3.34Å; D1267-L1271 PolarHBondContact O-N 2.9Å; L1271-K1273 PolarHBondContact O-N 3.36Å; L1271-F1274 PolarHBondContact O-N 3.44Å; L1271-Q1275 PolarHBondContact O-N 3.04Å |
| 1272 | I | 82 | Confident | 68.8 | Low | 62 Ų | 62 | 76.4 Ų | 76.4 | 32% | 0.318 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.9 | -28.5 | 178.7 | -64.4 | 170.8 | 0 | 0 | 0 | 112.3 | L1116 L1268 G1270 | L1116-I1272 HydrophobicContact CD2-CD1 3.84Å; L1268-I1272 HydrophobicContact CD1-CD1 3.85Å; L1268-I1272 HydrophobicContact CD1-CG1 4.11Å; L1268-I1272 HydrophobicContact CG-CD1 3.85Å; L1268-I1272 HydrophobicContact CG-CG1 4.49Å; L1268-I1272 WeakPolarHBondContact O-CG1 3.43Å; L1268-I1272 PolarHBondContact O-N 2.95Å; G1270-I1272 PolarHBondContact O-N 3.18Å |
| 1273 | K | 77.6 | Confident | 66.3 | Low | 125 Ų | 125 | 79.3 Ų | 79.3 | 54% | 0.543 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -77 | -38.7 | 176.9 | -68.1 | -172.2 | -166 | 80.5 | 0 | 112.5 | D1269 G1270 L1271 S1276 N1277 | D1269-K1273 WeakPolarHBondContact O-CG 3.49Å; D1269-K1273 PolarHBondContact O-NZ 2.94Å; G1270-K1273 WeakPolarHBondContact O-CB 3.47Å; G1270-K1273 PolarHBondContact O-N 2.98Å; L1271-K1273 PolarHBondContact O-N 3.36Å; K1273-S1276 PolarHBondContact O-N 3.38Å; K1273-S1276 VanDerWaalsContact O-N 3.16Å; K1273-S1276 PolarHBondContact O-OG 3.26Å; K1273-N1277 PolarHBondContact O-ND2 3.2Å; K1273-N1277 VanDerWaalsContact O-ND2 3.09Å |
| 1274 | F | 66.9 | Low | 63.4 | Low | 158 Ų | 158 | 82.7 Ų | 82.7 | 69% | 0.693 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -60 | -48.4 | 179.2 | -79.5 | -74.1 | 0 | 0 | 0 | 110.9 | G1270 L1271 S1276 N1277 | G1270-F1274 WeakPolarHBondContact O-CD2 3.24Å; G1270-F1274 PolarHBondContact O-N 3.29Å; L1271-F1274 PolarHBondContact O-N 3.44Å; F1274-S1276 PolarHBondContact O-N 3.45Å; F1274-N1277 PolarHBondContact O-N 2.95Å |
| 1275 | Q | 60.2 | Low | 60.3 | Low | 62 Ų | 62 | 88.7 Ų | 88.7 | 29% | 0.29 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -16.8 | 176.5 | -65 | 178.4 | -36 | 0 | 0 | 115 | P1117 E1119 L1271 R1398 | P1117-Q1275 VanDerWaalsContact CG-OE1 3.23Å; E1119-Q1275 PolarHBondContact OE1-NE2 3.49Å; E1119-Q1275 PolarHBondContact OE2-NE2 3.29Å; L1271-Q1275 PolarHBondContact O-N 3.04Å; Q1275-R1398 VanDerWaalsContact NE2-NH1 3.1Å |
| 1276 | S | 51.7 | Low | 57.1 | Low | 70 Ų | 70 | 93.4 Ų | 93.4 | 49% | 0.49 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -6.5 | 178.6 | 72.8 | 0 | 0 | 0 | 0 | 114.8 | K1273 F1274 | K1273-S1276 PolarHBondContact O-N 3.38Å; K1273-S1276 VanDerWaalsContact O-N 3.16Å; K1273-S1276 PolarHBondContact O-OG 3.26Å; F1274-S1276 PolarHBondContact O-N 3.45Å |
| 1277 | N | 40.8 | Very low | 54 | Low | 103 Ų | 103 | 98.5 Ų | 98.5 | 55% | 0.551 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.9 | -14 | -174.9 | -70.4 | -51.7 | 0 | 0 | 0 | 114.8 | K1273 F1274 | K1273-N1277 PolarHBondContact O-ND2 3.2Å; K1273-N1277 VanDerWaalsContact O-ND2 3.09Å; F1274-N1277 PolarHBondContact O-N 2.95Å |
| 1278 | D | 38.2 | Very low | 50.9 | Low | 127 Ų | 127 | 98.7 Ų | 98.7 | 68% | 0.679 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -73.7 | 128.7 | 176.1 | -69.6 | -52.6 | 0 | 0 | 0 | 111.1 | ||
| 1279 | D | 32.4 | Very low | 48 | Very low | 100 Ų | 100 | 103.1 Ų | 103.1 | 54% | 0.535 | 56% | 0.556 | S | S | . | * | trans | -73.2 | 127 | -178 | -73 | -44.3 | 0 | 0 | 0 | 111.4 | S967 S968 I1281 | S967-D1279 PolarHBondContact OG-OD1 3.38Å; S968-D1279 VanDerWaalsContact CB-OD1 3.26Å; S968-D1279 WeakPolarHBondContact CB-OD1 3.49Å; S968-D1279 PolarHBondContact OG-OD1 3.49Å; D1279-I1281 PolarHBondContact O-N 3.24Å | ||
| 1280 | P | 33.4 | Very low | 45.4 | Very low | 51 Ų | 51 | 108.4 Ų | 108.4 | 33% | 0.331 | 58% | 0.579 | S | S | . | * | G | 310 helix | trans | -75.7 | 15.7 | -170.8 | 34 | -40.4 | 0 | 0 | 0 | 114.5 | L965 S966 S967 K1282 | L965-P1280 HydrophobicContact CD2-CB 4.46Å; L965-P1280 HydrophobicContact CD2-CG 3.66Å; S966-P1280 WeakPolarHBondContact OG-CB 3.47Å; S966-P1280 WeakPolarHBondContact OG-CG 3.49Å; S967-P1280 WeakPolarHBondContact OG-CD 3.27Å; P1280-K1282 PolarHBondContact O-N 3.08Å |
| 1281 | I | 32.8 | Very low | 42.9 | Very low | 139 Ų | 139 | 111.8 Ų | 111.8 | 71% | 0.713 | 59% | 0.589 | S | S | * | * | G | 310 helix | trans | -94 | 5.1 | -161.6 | -59.5 | 176.8 | 0 | 0 | 0 | 112.4 | D1279 | D1279-I1281 PolarHBondContact O-N 3.24Š|
| 1282 | K | 31.4 | Very low | 40.5 | Very low | 201 Ų | 201 | 112.2 Ų | 112.2 | 87% | 0.874 | 59% | 0.594 | S | S | * | * | G | 310 helix | trans | -112.6 | -2.8 | -173.6 | -86.2 | -175.7 | 175.1 | 176.6 | 0 | 117.3 | P1280 | P1280-K1282 PolarHBondContact O-N 3.08Š|
| 1283 | M | 28.2 | Very low | 38.4 | Very low | 144 Ų | 144 | 116.6 Ų | 116.6 | 71% | 0.709 | 61% | 0.611 | S | S | * | * | trans | -119.6 | 110.7 | 177.1 | -72.7 | 174.7 | 62.3 | 0 | 0 | 110.1 | D1372 | M1283-D1372 WeakPolarHBondContact CE-OD2 3.36Š| ||
| 1284 | S | 26.3 | Very low | 36.6 | Very low | 110 Ų | 110 | 114 Ų | 114 | 77% | 0.769 | 61% | 0.609 | S | S | * | * | trans | -156.6 | 68.9 | -173.2 | 68.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1285 | Q | 27 | Very low | 35.1 | Very low | 185 Ų | 185 | 109.5 Ų | 109.5 | 86% | 0.864 | 60% | 0.597 | S | S | * | * | trans | -143.7 | 122.9 | 147.2 | -75.9 | -157.4 | -3 | 0 | 0 | 109.5 | L1287 | Q1285-L1287 PolarHBondContact O-N 3.25Š| ||
| 1286 | P | 26.5 | Very low | 34.1 | Very low | 132 Ų | 132 | 108.3 Ų | 108.3 | 86% | 0.857 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 119.2 | 177.6 | 30 | -32.6 | 0 | 0 | 0 | 110.5 | ||
| 1287 | L | 29.9 | Very low | 33.7 | Very low | 119 Ų | 119 | 111.2 Ų | 111.2 | 62% | 0.623 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 136.6 | 169.5 | -70 | 165.1 | 0 | 0 | 0 | 109.7 | Q1285 Q1291 V1292 | Q1285-L1287 PolarHBondContact O-N 3.25Å; L1287-Q1291 HydrophobicContact CB-CB 4.2Å; L1287-Q1291 HydrophobicContact CD2-CB 3.99Å; L1287-Q1291 HydrophobicContact CD2-CG 4.48Å; L1287-V1292 HydrophobicContact CB-CG2 4.49Å |
| 1288 | S | 30.1 | Very low | 33.7 | Very low | 51 Ų | 51 | 112.6 Ų | 112.6 | 36% | 0.357 | 60% | 0.598 | S | S | . | * | P | Polyproline II helix | trans | -68.8 | 158.1 | 173.5 | 64.4 | 0 | 0 | 0 | 0 | 111.4 | Q1290 Q1291 V1292 | S1288-Q1290 PolarHBondContact O-N 2.9Å; S1288-Q1290 VanDerWaalsContact O-N 3.13Å; S1288-Q1291 WeakPolarHBondContact O-CA 3.35Å; S1288-Q1291 WeakPolarHBondContact O-CB 3.29Å; S1288-Q1291 PolarHBondContact O-N 2.8Å; S1288-Q1291 WeakPolarHBondContact OG-CG 3.41Å; S1288-Q1291 PolarHBondContact OG-OE1 2.81Å; S1288-V1292 PolarHBondContact O-N 2.95Å; S1288-V1292 VanDerWaalsContact O-N 3.14Å |
| 1289 | S | 30.8 | Very low | 33.8 | Very low | 105 Ų | 105 | 111.5 Ų | 111.5 | 73% | 0.734 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -57.8 | -27.4 | 177.8 | 46.1 | 0 | 0 | 0 | 0 | 113.5 | F1293 | S1289-F1293 PolarHBondContact O-N 3.28Å |
| 1290 | Q | 34.7 | Very low | 34.1 | Very low | 160 Ų | 160 | 108.8 Ų | 108.8 | 75% | 0.748 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -69.2 | -35.3 | 171.4 | -69.5 | -177.9 | -23.5 | 0 | 0 | 112.9 | S1288 F1293 S1294 | S1288-Q1290 PolarHBondContact O-N 2.9Å; S1288-Q1290 VanDerWaalsContact O-N 3.13Å; Q1290-F1293 WeakPolarHBondContact O-CB 3.37Å; Q1290-F1293 PolarHBondContact O-N 3.48Å; Q1290-S1294 PolarHBondContact O-N 3.4Å |
| 1291 | Q | 33.8 | Very low | 34.6 | Very low | 91 Ų | 91 | 111 Ų | 111 | 43% | 0.425 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -74.7 | -39.4 | -179.7 | -70.8 | 165.6 | -72.8 | 0 | 0 | 111.9 | L1287 S1288 F1293 S1294 S1295 | L1287-Q1291 HydrophobicContact CB-CB 4.2Å; L1287-Q1291 HydrophobicContact CD2-CB 3.99Å; L1287-Q1291 HydrophobicContact CD2-CG 4.48Å; S1288-Q1291 WeakPolarHBondContact O-CA 3.35Å; S1288-Q1291 WeakPolarHBondContact O-CB 3.29Å; S1288-Q1291 PolarHBondContact O-N 2.8Å; S1288-Q1291 WeakPolarHBondContact OG-CG 3.41Å; S1288-Q1291 PolarHBondContact OG-OE1 2.81Å; Q1291-F1293 VanDerWaalsContact C-N 3.29Å; Q1291-F1293 PolarHBondContact O-N 3.33Å; Q1291-S1294 WeakPolarHBondContact CA-OG 3.11Å; Q1291-S1294 PolarHBondContact O-N 3.23Å; Q1291-S1294 PolarHBondContact O-OG 3Å; Q1291-S1295 PolarHBondContact O-N 3.33Å |
| 1292 | V | 35.1 | Very low | 35 | Very low | 61 Ų | 61 | 110.2 Ų | 110.2 | 37% | 0.37 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -54.8 | -49.3 | 168.7 | 179.7 | 0 | 0 | 0 | 0 | 109.6 | L1287 S1288 S1294 S1295 F1296 | L1287-V1292 HydrophobicContact CB-CG2 4.49Å; S1288-V1292 PolarHBondContact O-N 2.95Å; S1288-V1292 VanDerWaalsContact O-N 3.14Å; V1292-S1294 VanDerWaalsContact C-N 3.33Å; V1292-S1294 PolarHBondContact O-N 3.45Å; V1292-S1295 PolarHBondContact O-N 2.95Å; V1292-F1296 WeakPolarHBondContact O-CB 3.29Å; V1292-F1296 PolarHBondContact O-N 3.41Å |
| 1293 | F | 39.2 | Very low | 35.3 | Very low | 154 Ų | 154 | 104.6 Ų | 104.6 | 68% | 0.675 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -59.1 | -40.1 | 178.4 | -143.2 | -87.6 | 0 | 0 | 0 | 112.9 | S1289 Q1290 Q1291 K1297 | S1289-F1293 PolarHBondContact O-N 3.28Å; Q1290-F1293 WeakPolarHBondContact O-CB 3.37Å; Q1290-F1293 PolarHBondContact O-N 3.48Å; Q1291-F1293 VanDerWaalsContact C-N 3.29Å; Q1291-F1293 PolarHBondContact O-N 3.33Å; F1293-K1297 WeakPolarHBondContact O-CB 3.35Å; F1293-K1297 PolarHBondContact O-N 3.31Å |
| 1294 | S | 38.9 | Very low | 35.7 | Very low | 71 Ų | 71 | 100.5 Ų | 100.5 | 50% | 0.497 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.4 | -39.7 | 176.7 | 63.4 | 0 | 0 | 0 | 0 | 113.7 | Q1290 Q1291 V1292 K1297 Q1298 | Q1290-S1294 PolarHBondContact O-N 3.4Å; Q1291-S1294 WeakPolarHBondContact CA-OG 3.11Å; Q1291-S1294 PolarHBondContact O-N 3.23Å; Q1291-S1294 PolarHBondContact O-OG 3Å; V1292-S1294 VanDerWaalsContact C-N 3.33Å; V1292-S1294 PolarHBondContact O-N 3.45Å; S1294-K1297 PolarHBondContact O-N 3.25Å; S1294-Q1298 PolarHBondContact O-N 2.68Å; S1294-Q1298 VanDerWaalsContact O-N 3.16Å |
| 1295 | S | 36 | Very low | 36.4 | Very low | 63 Ų | 63 | 100.4 Ų | 100.4 | 44% | 0.441 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.7 | -39.6 | 177.5 | -172.9 | 0 | 0 | 0 | 0 | 111.4 | Q1291 V1292 Q1298 Q1299 | Q1291-S1295 PolarHBondContact O-N 3.33Å; V1292-S1295 PolarHBondContact O-N 2.95Å; S1295-Q1298 WeakPolarHBondContact O-CB 3.37Å; S1295-Q1298 PolarHBondContact O-N 3.45Å; S1295-Q1299 PolarHBondContact O-N 2.97Å |
| 1296 | F | 39.1 | Very low | 37.1 | Very low | 37 Ų | 37 | 96.4 Ų | 96.4 | 16% | 0.162 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -61.4 | -45.6 | 174.3 | -143.9 | -60.5 | 0 | 0 | 0 | 111.1 | M1103 Y1106 V1292 Q1298 Q1299 C1300 | M1103-F1296 HydrophobicContact CE-CD1 3.48Å; M1103-F1296 VanDerWaalsContact CE-CD1 3.48Å; M1103-F1296 HydrophobicContact CE-CE1 3.54Å; M1103-F1296 HydrophobicContact CE-CG 4.18Å; M1103-F1296 HydrophobicContact CE-CZ 4.26Å; M1103-F1296 HydrophobicContact SD-CD1 3.81Å; M1103-F1296 HydrophobicContact SD-CE1 3.5Å; M1103-F1296 WeakPolarHBondContact SD-CE1 3.45Å; M1103-F1296 HydrophobicContact SD-CZ 4.45Å; Y1106-F1296 HydrophobicContact CD2-CE1 4.26Å; Y1106-F1296 AromaticContact CD2-CZ 3.83Å; Y1106-F1296 HydrophobicContact CD2-CZ 3.83Å; Y1106-F1296 AromaticContact CG-CZ 3.8Å; Y1106-F1296 HydrophobicContact CG-CZ 3.8Å; V1292-F1296 WeakPolarHBondContact O-CB 3.29Å; V1292-F1296 PolarHBondContact O-N 3.41Å; F1296-Q1298 PolarHBondContact O-N 3.27Å; F1296-Q1299 PolarHBondContact O-N 3.33Å; F1296-Q1299 VanDerWaalsContact O-N 3.14Å; F1296-C1300 PolarHBondContact O-N 3.45Å; F1296-C1300 VanDerWaalsContact O-N 3.07Å; F1296-C1300 PolarHBondContact O-SG 2.67Å; F1296-C1300 VanDerWaalsContact O-SG 3.39Å |
| 1297 | K | 43 | Very low | 37.6 | Very low | 131 Ų | 131 | 95.1 Ų | 95.1 | 57% | 0.57 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -60.4 | -31.7 | 177.6 | -154.8 | 180 | -173 | -171.9 | 0 | 112.5 | F1293 S1294 C1300 H1301 | F1293-K1297 WeakPolarHBondContact O-CB 3.35Å; F1293-K1297 PolarHBondContact O-N 3.31Å; S1294-K1297 PolarHBondContact O-N 3.25Å; K1297-C1300 PolarHBondContact O-N 3.19Å; K1297-H1301 PolarHBondContact O-CD2 3.21Å; K1297-H1301 VanDerWaalsContact O-CD2 3.31Å; K1297-H1301 PolarHBondContact O-N 3.49Å |
| 1298 | Q | 41.9 | Very low | 38 | Very low | 133 Ų | 133 | 95.4 Ų | 95.4 | 62% | 0.621 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -70.4 | -38.4 | 177.2 | -161.4 | 168.9 | 10.7 | 0 | 0 | 112.3 | S1294 S1295 F1296 H1301 Q1302 | S1294-Q1298 PolarHBondContact O-N 2.68Å; S1294-Q1298 VanDerWaalsContact O-N 3.16Å; S1295-Q1298 WeakPolarHBondContact O-CB 3.37Å; S1295-Q1298 PolarHBondContact O-N 3.45Å; F1296-Q1298 PolarHBondContact O-N 3.27Å; Q1298-H1301 PolarHBondContact O-N 2.92Å; Q1298-Q1302 PolarHBondContact O-N 2.93Å; Q1298-Q1302 VanDerWaalsContact O-N 3.14Å |
| 1299 | Q | 39.7 | Very low | 38.4 | Very low | 104 Ų | 104 | 98.2 Ų | 98.2 | 49% | 0.486 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.4 | -40.7 | 172.3 | -69.4 | -178.4 | -50 | 0 | 0 | 111.9 | S1295 F1296 H1301 Q1302 F1303 | S1295-Q1299 PolarHBondContact O-N 2.97Å; F1296-Q1299 PolarHBondContact O-N 3.33Å; F1296-Q1299 VanDerWaalsContact O-N 3.14Å; Q1299-H1301 VanDerWaalsContact C-N 3.33Å; Q1299-H1301 PolarHBondContact O-N 3.34Å; Q1299-Q1302 PolarHBondContact O-N 3.29Å; Q1299-F1303 PolarHBondContact O-N 3.18Å |
| 1300 | C | 38.5 | Very low | 38.7 | Very low | 43 Ų | 43 | 99 Ų | 99 | 29% | 0.291 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64 | -36.1 | 175.6 | -60.6 | 0 | 0 | 0 | 0 | 112.8 | M1103 F1296 K1297 F1303 Q1304 | M1103-C1300 PolarHBondContact SD-SG 2.76Å; F1296-C1300 PolarHBondContact O-N 3.45Å; F1296-C1300 VanDerWaalsContact O-N 3.07Å; F1296-C1300 PolarHBondContact O-SG 2.67Å; F1296-C1300 VanDerWaalsContact O-SG 3.39Å; K1297-C1300 PolarHBondContact O-N 3.19Å; C1300-F1303 WeakPolarHBondContact O-CB 3.42Å; C1300-F1303 PolarHBondContact O-N 2.79Å; C1300-Q1304 PolarHBondContact O-N 2.8Å; C1300-Q1304 VanDerWaalsContact O-N 3.09Å |
| 1301 | H | 44.4 | Very low | 38.8 | Very low | 98 Ų | 98 | 98.6 Ų | 98.6 | 45% | 0.454 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.6 | -42.6 | 172.5 | -89.9 | -67.4 | 0 | 0 | 0 | 112.3 | K1297 Q1298 Q1299 F1303 Q1304 E1305 | K1297-H1301 PolarHBondContact O-CD2 3.21Å; K1297-H1301 VanDerWaalsContact O-CD2 3.31Å; K1297-H1301 PolarHBondContact O-N 3.49Å; Q1298-H1301 PolarHBondContact O-N 2.92Å; Q1299-H1301 VanDerWaalsContact C-N 3.33Å; Q1299-H1301 PolarHBondContact O-N 3.34Å; H1301-F1303 VanDerWaalsContact C-N 3.3Å; H1301-F1303 PolarHBondContact O-N 3.1Å; H1301-Q1304 PolarHBondContact O-N 3.33Å; H1301-E1305 WeakPolarHBondContact O-CG 3.24Å; H1301-E1305 PolarHBondContact O-N 2.86Å |
| 1302 | Q | 40.1 | Very low | 38.9 | Very low | 122 Ų | 122 | 101.8 Ų | 101.8 | 57% | 0.57 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.8 | -39 | 174.6 | -71.8 | -179.8 | -42.8 | 0 | 0 | 112.2 | Q1298 Q1299 E1305 H1306 | Q1298-Q1302 PolarHBondContact O-N 2.93Å; Q1298-Q1302 VanDerWaalsContact O-N 3.14Å; Q1299-Q1302 PolarHBondContact O-N 3.29Å; Q1302-E1305 PolarHBondContact O-N 3.24Å; Q1302-H1306 PolarHBondContact O-N 3.1Å |
| 1303 | F | 37.6 | Very low | 38.8 | Very low | 82 Ų | 82 | 106.8 Ų | 106.8 | 36% | 0.36 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62 | -44.2 | 175.9 | -164 | -98.6 | 0 | 0 | 0 | 112.2 | Q1299 C1300 H1301 Q1307 E1380 | Q1299-F1303 PolarHBondContact O-N 3.18Å; C1300-F1303 WeakPolarHBondContact O-CB 3.42Å; C1300-F1303 PolarHBondContact O-N 2.79Å; H1301-F1303 VanDerWaalsContact C-N 3.3Å; H1301-F1303 PolarHBondContact O-N 3.1Å; F1303-Q1307 PolarHBondContact O-N 2.83Å; F1303-E1380 VanDerWaalsContact CE2-OE2 3.27Å; F1303-E1380 WeakPolarHBondContact CE2-OE2 3.46Å |
| 1304 | Q | 37.4 | Very low | 38.6 | Very low | 59 Ų | 59 | 108 Ų | 108 | 28% | 0.276 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.3 | -40.4 | 175.9 | -72.9 | -176.9 | -14.6 | 0 | 0 | 112.9 | D1099 C1300 H1301 H1306 Q1307 Q1308 | D1099-Q1304 PolarHBondContact OD2-NE2 2.8Å; C1300-Q1304 PolarHBondContact O-N 2.8Å; C1300-Q1304 VanDerWaalsContact O-N 3.09Å; H1301-Q1304 PolarHBondContact O-N 3.33Å; Q1304-H1306 VanDerWaalsContact C-N 3.33Å; Q1304-H1306 PolarHBondContact O-N 2.94Å; Q1304-Q1307 PolarHBondContact O-N 3.44Å; Q1304-Q1308 WeakPolarHBondContact O-CG 3.32Å; Q1304-Q1308 PolarHBondContact O-N 2.87Å; Q1304-Q1308 VanDerWaalsContact O-N 3.15Å |
| 1305 | E | 40.9 | Very low | 37.9 | Very low | 107 Ų | 107 | 109.8 Ų | 109.8 | 50% | 0.5 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.5 | -40.1 | 176.3 | -77.3 | -176.6 | 168.6 | 0 | 0 | 112 | H1301 Q1302 Q1308 Q1309 | H1301-E1305 WeakPolarHBondContact O-CG 3.24Å; H1301-E1305 PolarHBondContact O-N 2.86Å; Q1302-E1305 PolarHBondContact O-N 3.24Å; E1305-Q1308 PolarHBondContact O-N 3.4Å; E1305-Q1309 VanDerWaalsContact O-CG 3.29Å; E1305-Q1309 WeakPolarHBondContact O-CG 3.28Å; E1305-Q1309 PolarHBondContact O-N 3.27Å |
| 1306 | H | 41.4 | Very low | 37.6 | Very low | 101 Ų | 101 | 112.3 Ų | 112.3 | 47% | 0.468 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68.4 | -38 | -179.9 | -128.3 | 47.5 | 0 | 0 | 0 | 112.7 | Q1302 Q1304 Q1309 Q1310 | Q1302-H1306 PolarHBondContact O-N 3.1Å; Q1304-H1306 VanDerWaalsContact C-N 3.33Å; Q1304-H1306 PolarHBondContact O-N 2.94Å; H1306-Q1309 PolarHBondContact O-N 3.47Å; H1306-Q1310 WeakPolarHBondContact O-CG 3.32Å; H1306-Q1310 PolarHBondContact O-N 3.18Å |
| 1307 | Q | 38.3 | Very low | 37.3 | Very low | 106 Ų | 106 | 116.7 Ų | 116.7 | 50% | 0.495 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.2 | -38.7 | 172.8 | -69.1 | -167.1 | 13.9 | 0 | 0 | 112.4 | F1303 Q1304 Q1311 | F1303-Q1307 PolarHBondContact O-N 2.83Å; Q1304-Q1307 PolarHBondContact O-N 3.44Å; Q1307-Q1311 WeakPolarHBondContact O-CG 3.46Å; Q1307-Q1311 PolarHBondContact O-N 3.32Å |
| 1308 | Q | 38.2 | Very low | 36.7 | Very low | 124 Ų | 124 | 114.8 Ų | 114.8 | 58% | 0.579 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -69.1 | -38.8 | 176.9 | -69.5 | 178.7 | 12.7 | 0 | 0 | 112.4 | Q1304 E1305 Q1310 Q1311 H1312 | Q1304-Q1308 WeakPolarHBondContact O-CG 3.32Å; Q1304-Q1308 PolarHBondContact O-N 2.87Å; Q1304-Q1308 VanDerWaalsContact O-N 3.15Å; E1305-Q1308 PolarHBondContact O-N 3.4Å; Q1308-Q1310 PolarHBondContact O-N 2.79Å; Q1308-Q1311 PolarHBondContact O-N 3.39Å; Q1308-H1312 PolarHBondContact O-CD2 3.06Å |
| 1309 | Q | 38.3 | Very low | 36.1 | Very low | 110 Ų | 110 | 117.2 Ų | 117.2 | 51% | 0.514 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -66.1 | -35.5 | 178.6 | -73.4 | 171.7 | 21.3 | 0 | 0 | 112.8 | E1305 H1306 | E1305-Q1309 VanDerWaalsContact O-CG 3.29Å; E1305-Q1309 WeakPolarHBondContact O-CG 3.28Å; E1305-Q1309 PolarHBondContact O-N 3.27Å; H1306-Q1309 PolarHBondContact O-N 3.47Å |
| 1310 | Q | 37 | Very low | 35.6 | Very low | 123 Ų | 123 | 118.3 Ų | 118.3 | 58% | 0.575 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -73.4 | -29.3 | 177.1 | -67.8 | -176.6 | 22.3 | 0 | 0 | 113.1 | H1306 Q1308 H1312 | H1306-Q1310 WeakPolarHBondContact O-CG 3.32Å; H1306-Q1310 PolarHBondContact O-N 3.18Å; Q1308-Q1310 PolarHBondContact O-N 2.79Å; Q1310-H1312 VanDerWaalsContact C-N 3.31Å; Q1310-H1312 PolarHBondContact O-N 2.89Å |
| 1311 | Q | 35.5 | Very low | 35.2 | Very low | 151 Ų | 151 | 125.2 Ų | 125.2 | 71% | 0.706 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -73 | -18.8 | 178.3 | -71.8 | 177.6 | 22.1 | 0 | 0 | 113.9 | Q1307 Q1308 | Q1307-Q1311 WeakPolarHBondContact O-CG 3.46Å; Q1307-Q1311 PolarHBondContact O-N 3.32Å; Q1308-Q1311 PolarHBondContact O-N 3.39Å |
| 1312 | H | 37.5 | Very low | 34.4 | Very low | 157 Ų | 157 | 124.6 Ų | 124.6 | 73% | 0.727 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -0.3 | -174.8 | -87.5 | -55.8 | 0 | 0 | 0 | 116.5 | Q1308 Q1310 | Q1308-H1312 PolarHBondContact O-CD2 3.06Å; Q1310-H1312 VanDerWaalsContact C-N 3.31Å; Q1310-H1312 PolarHBondContact O-N 2.89Å |
| 1313 | Q | 32.5 | Very low | 33.8 | Very low | 167 Ų | 167 | 128.7 Ų | 128.7 | 78% | 0.78 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | -3.2 | -177.6 | -63.2 | -163.8 | 9.7 | 0 | 0 | 116 | ||
| 1314 | H | 33.8 | Very low | 33.4 | Very low | 180 Ų | 180 | 131.9 Ų | 131.9 | 83% | 0.833 | 66% | 0.659 | S | S | * | * | trans | -122.1 | 77.4 | -176.6 | -78.5 | -68.2 | 0 | 0 | 0 | 114.1 | ||||
| 1315 | S | 26 | Very low | 32.9 | Very low | 108 Ų | 108 | 136.1 Ų | 136.1 | 76% | 0.755 | 68% | 0.679 | S | S | * | * | trans | -150 | 69.6 | -179.5 | 53.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1316 | S | 29.5 | Very low | 32.4 | Very low | 116 Ų | 116 | 137.7 Ų | 137.7 | 81% | 0.811 | 70% | 0.695 | S | S | * | * | trans | -157.1 | 154.9 | 156.8 | 57.4 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1317 | V | 32.7 | Very low | 31.9 | Very low | 128 Ų | 128 | 140.1 Ų | 140.1 | 78% | 0.776 | 71% | 0.71 | S | S | * | * | trans | 74.1 | 49.3 | 166.4 | -150.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1318 | S | 29.4 | Very low | 31.6 | Very low | 91 Ų | 91 | 140.3 Ų | 140.3 | 64% | 0.636 | 72% | 0.721 | S | S | * | * | 44.9 | 131.9 | 118.3 | 69.8 | 0 | 0 | 0 | 0 | 125.6 | |||||
| 1319 | K | 29.4 | Very low | 31.3 | Very low | 184 Ų | 184 | 140.5 Ų | 140.5 | 80% | 0.8 | 73% | 0.731 | S | S | * | * | trans | 75.5 | 140.3 | 143.4 | -67.2 | 162.8 | -175.3 | 175.8 | 0 | 118.7 | ||||
| 1320 | N | 29.5 | Very low | 30.9 | Very low | 127 Ų | 127 | 139.7 Ų | 139.7 | 68% | 0.679 | 74% | 0.737 | S | S | * | * | cis | -168.1 | 146.9 | 10.6 | -120.9 | -10.2 | 0 | 0 | 0 | 113.3 | ||||
| 1321 | K | 30.4 | Very low | 30.4 | Very low | 188 Ų | 188 | 143.4 Ų | 143.4 | 82% | 0.817 | 75% | 0.747 | S | S | * | * | trans | 67.2 | 148.3 | 155.6 | -64.1 | -177.9 | 179.3 | -173.9 | 0 | 119.7 | ||||
| 1322 | S | 27 | Very low | 30 | Very low | 85 Ų | 85 | 141.9 Ų | 141.9 | 59% | 0.594 | 75% | 0.748 | S | S | * | * | cis | -172.8 | 131.7 | -17.1 | 50.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1323 | Y | 28.5 | Very low | 29.5 | Very low | 208 Ų | 208 | 142.6 Ų | 142.6 | 82% | 0.816 | 75% | 0.752 | S | S | * | * | trans | 64 | 151.5 | 155.2 | -59.8 | -50.6 | 0 | 0 | 0 | 118.5 | ||||
| 1324 | Q | 28.1 | Very low | 29.2 | Very low | 150 Ų | 150 | 143.1 Ų | 143.1 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | cis | -162.2 | 163.7 | 0.7 | -117.6 | 170.6 | -59.2 | 0 | 0 | 107.5 | ||||
| 1325 | E | 27.9 | Very low | 28.9 | Very low | 147 Ų | 147 | 140.9 Ų | 140.9 | 69% | 0.687 | 75% | 0.75 | S | S | * | * | cis | -155.5 | -125.4 | -3.4 | -167.4 | 89.2 | -79.2 | 0 | 0 | 108.8 | ||||
| 1326 | V | 29.1 | Very low | 28.9 | Very low | 140 Ų | 140 | 142.6 Ų | 142.6 | 85% | 0.848 | 75% | 0.751 | S | S | * | * | trans | 55.2 | 77.2 | 175.9 | -162.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1327 | I | 31.4 | Very low | 28.9 | Very low | 152 Ų | 152 | 146.6 Ų | 146.6 | 78% | 0.779 | 76% | 0.757 | S | S | * | * | trans | -132.4 | 145.3 | 158.2 | -40.2 | 175.9 | 0 | 0 | 0 | 107.1 | ||||
| 1328 | P | 32.1 | Very low | 28.6 | Very low | 111 Ų | 111 | 145.6 Ų | 145.6 | 72% | 0.721 | 76% | 0.755 | S | S | * | * | -143.8 | 152.1 | 120.8 | 36.1 | -22.6 | 0 | 0 | 0 | 112.6 | |||||
| 1329 | T | 32 | Very low | 28.6 | Very low | 128 Ų | 128 | 149.8 Ų | 149.8 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | cis | -168.4 | 164.8 | -12.8 | 16.6 | 0 | 0 | 0 | 0 | 106 | ||||
| 1330 | S | 29.9 | Very low | 28.5 | Very low | 92 Ų | 92 | 147.8 Ų | 147.8 | 64% | 0.643 | 77% | 0.767 | S | S | * | * | cis | -153.8 | 145.9 | -2.7 | 44.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1331 | Y | 26.2 | Very low | 28.5 | Very low | 201 Ų | 201 | 148.2 Ų | 148.2 | 79% | 0.788 | 77% | 0.767 | S | S | * | * | trans | -128.9 | 130.6 | 153.8 | -122.2 | -84.4 | 0 | 0 | 0 | 106.3 | K1098 | K1098-Y1331 PolarHBondContact NZ-OH 2.65Å; K1098-Y1331 VanDerWaalsContact NZ-OH 3.08Å | ||
| 1332 | V | 28.2 | Very low | 28.3 | Very low | 120 Ų | 120 | 144 Ų | 144 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | trans | -126.2 | 130.1 | 178.5 | 178.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1333 | Q | 25.7 | Very low | 28.3 | Very low | 172 Ų | 172 | 145 Ų | 145 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | -104.8 | 134.4 | -175.1 | -172.2 | 176.6 | 10.1 | 0 | 0 | 109.1 | ||||
| 1334 | M | 25.7 | Very low | 28.3 | Very low | 178 Ų | 178 | 142.8 Ų | 142.8 | 88% | 0.877 | 77% | 0.77 | S | S | * | * | trans | -139 | 144.1 | 167.7 | -73.1 | -165 | 175.9 | 0 | 0 | 109.2 | ||||
| 1335 | N | 27.5 | Very low | 28.4 | Very low | 132 Ų | 132 | 143.6 Ų | 143.6 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | trans | -94.4 | 161 | -165.9 | -65.1 | -2.9 | 0 | 0 | 0 | 113.5 | ||||
| 1336 | D | 26.3 | Very low | 28.5 | Very low | 144 Ų | 144 | 140 Ų | 140 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | trans | -14.8 | 132.5 | 162.3 | -44.3 | -41.4 | 0 | 0 | 0 | 117.8 | ||||
| 1337 | H | 29.9 | Very low | 28.4 | Very low | 201 Ų | 201 | 136.6 Ų | 136.6 | 93% | 0.931 | 78% | 0.775 | S | S | * | * | -144.3 | 129.5 | 126.4 | -91.8 | -52.9 | 0 | 0 | 0 | 110.6 | |||||
| 1338 | S | 25.8 | Very low | 28.2 | Very low | 106 Ų | 106 | 136.4 Ų | 136.4 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | trans | -78.7 | 146.6 | 178.3 | 55.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 1339 | I | 29 | Very low | 28.1 | Very low | 179 Ų | 179 | 140.2 Ų | 140.2 | 92% | 0.918 | 79% | 0.786 | S | S | * | * | trans | -154.5 | 152.8 | 141.1 | -101.3 | 147.3 | 0 | 0 | 0 | 107.9 | ||||
| 1340 | D | 28.4 | Very low | 27.8 | Very low | 143 Ų | 143 | 142.1 Ų | 142.1 | 77% | 0.765 | 79% | 0.788 | S | S | * | * | trans | -128.8 | -174.4 | -159.1 | -177.9 | 25.9 | 0 | 0 | 0 | 111.2 | ||||
| 1341 | I | 28.5 | Very low | 27.6 | Very low | 136 Ų | 136 | 142.9 Ų | 142.9 | 70% | 0.697 | 79% | 0.789 | S | S | * | * | trans | 89.6 | 88.3 | 163.3 | -50.2 | 176.7 | 0 | 0 | 0 | 115.9 | ||||
| 1342 | S | 27 | Very low | 27.6 | Very low | 99 Ų | 99 | 137.7 Ų | 137.7 | 69% | 0.692 | 78% | 0.782 | S | S | * | * | trans | 1.7 | 150 | 136.5 | 64 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1343 | S | 27.2 | Very low | 27.5 | Very low | 105 Ų | 105 | 139.4 Ų | 139.4 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | 168 | 176.2 | 102.5 | 55.1 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1344 | L | 29.1 | Very low | 27.6 | Very low | 163 Ų | 163 | 138 Ų | 138 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | trans | 74.2 | 95 | 170.8 | -88 | 68.8 | 0 | 0 | 0 | 119.2 | ||||
| 1345 | D | 29.8 | Very low | 27.9 | Very low | 167 Ų | 167 | 137.9 Ų | 137.9 | 89% | 0.893 | 78% | 0.782 | S | S | * | * | trans | -62.3 | 162.1 | 145.9 | 177.9 | 26.5 | 0 | 0 | 0 | 111.8 | ||||
| 1346 | G | 29.1 | Very low | 27.8 | Very low | 72 Ų | 72 | 138.7 Ų | 138.7 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | trans | 153 | 87.8 | 174 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1347 | G | 27.5 | Very low | 27.8 | Very low | 68 Ų | 68 | 139.5 Ų | 139.5 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | trans | -96.1 | 172.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1348 | T | 27.7 | Very low | 27.7 | Very low | 148 Ų | 148 | 135.3 Ų | 135.3 | 91% | 0.908 | 77% | 0.765 | S | S | * | * | trans | -165.9 | 148.7 | 155.6 | -82 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1349 | K | 29.7 | Very low | 27.8 | Very low | 191 Ų | 191 | 137.7 Ų | 137.7 | 83% | 0.83 | 76% | 0.764 | S | S | * | * | trans | -88.9 | 151.2 | 177.8 | -57 | 171.1 | 179.9 | 174.7 | 0 | 111.9 | ||||
| 1350 | M | 26 | Very low | 27.6 | Very low | 167 Ų | 167 | 136.6 Ų | 136.6 | 82% | 0.823 | 76% | 0.759 | S | S | * | * | trans | -154.1 | 126.3 | 146.5 | -98.4 | -52.4 | 170.4 | 0 | 0 | 113.3 | ||||
| 1351 | T | 26.5 | Very low | 27.5 | Very low | 108 Ų | 108 | 135 Ų | 135 | 66% | 0.663 | 76% | 0.758 | S | S | * | * | trans | 23.4 | 114.1 | 137.9 | 54.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1352 | S | 25.6 | Very low | 27.3 | Very low | 92 Ų | 92 | 133 Ų | 133 | 64% | 0.643 | 76% | 0.756 | S | S | * | * | 83.4 | 111.2 | 66 | 73.4 | 0 | 0 | 0 | 0 | 116 | |||||
| 1353 | N | 26.3 | Very low | 27.3 | Very low | 156 Ų | 156 | 133.2 Ų | 133.2 | 83% | 0.834 | 76% | 0.758 | S | S | * | * | 173.8 | 147.9 | 119.8 | -88.1 | -19.5 | 0 | 0 | 0 | 113.9 | |||||
| 1354 | N | 26.5 | Very low | 27.2 | Very low | 142 Ų | 142 | 130 Ų | 130 | 76% | 0.759 | 74% | 0.735 | S | S | * | * | trans | -55.4 | 154.9 | -178.6 | -46.4 | -40.6 | 0 | 0 | 0 | 115.4 | ||||
| 1355 | H | 32.1 | Very low | 27.4 | Very low | 177 Ų | 177 | 128.2 Ų | 128.2 | 82% | 0.819 | 73% | 0.731 | S | S | * | * | -153 | 160.4 | 110.8 | -106.4 | -66 | 0 | 0 | 0 | 112.4 | |||||
| 1356 | Q | 26.7 | Very low | 27.2 | Very low | 149 Ų | 149 | 123.7 Ų | 123.7 | 70% | 0.696 | 71% | 0.709 | S | S | * | * | trans | -68.2 | 161.1 | -179.5 | -54.8 | 116.9 | -64.3 | 0 | 0 | 111 | ||||
| 1357 | Q | 25.9 | Very low | 27.1 | Very low | 160 Ų | 160 | 122.6 Ų | 122.6 | 75% | 0.748 | 69% | 0.69 | S | S | * | * | -169.1 | 154 | 64.5 | -103.7 | 174 | -91.2 | 0 | 0 | 113.2 | |||||
| 1358 | D | 26.9 | Very low | 27.1 | Very low | 113 Ų | 113 | 124.4 Ų | 124.4 | 60% | 0.604 | 69% | 0.693 | S | S | * | * | trans | 62 | 142.2 | 145.8 | -51.1 | -15.1 | 0 | 0 | 0 | 119.9 | ||||
| 1359 | H | 28.1 | Very low | 27.1 | Very low | 156 Ų | 156 | 120.6 Ų | 120.6 | 72% | 0.722 | 67% | 0.672 | S | S | * | * | cis | -161.9 | 148.2 | -10.2 | -117.4 | -47.7 | 0 | 0 | 0 | 111.7 | ||||
| 1360 | L | 24.9 | Very low | 27 | Very low | 156 Ų | 156 | 117 Ų | 117 | 82% | 0.817 | 66% | 0.661 | S | S | * | * | trans | 57.1 | 95.3 | 149.5 | -73.9 | 156.1 | 0 | 0 | 0 | 121.6 | ||||
| 1361 | C | 26.2 | Very low | 27.5 | Very low | 109 Ų | 109 | 117.1 Ų | 117.1 | 74% | 0.736 | 65% | 0.653 | S | S | * | * | -164.9 | 151.7 | 108.1 | -149.6 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 1362 | S | 24.8 | Very low | 27.8 | Very low | 94 Ų | 94 | 118.4 Ų | 118.4 | 66% | 0.657 | 66% | 0.656 | S | S | * | * | trans | -160.2 | 161.1 | -172.1 | 58.8 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1363 | S | 26.1 | Very low | 28.7 | Very low | 104 Ų | 104 | 119.2 Ų | 119.2 | 73% | 0.727 | 65% | 0.648 | S | S | * | * | trans | 78.5 | 161.5 | -167.2 | -36.8 | 0 | 0 | 0 | 0 | 112.4 | E908 | E908-S1363 WeakPolarHBondContact OE2-CB 3.41Š| ||
| 1364 | S | 26.7 | Very low | 30.4 | Very low | 37 Ų | 37 | 117 Ų | 117 | 26% | 0.259 | 64% | 0.636 | S | S | . | * | cis | -148.1 | 174.8 | 0.9 | 82.7 | 0 | 0 | 0 | 0 | 114.1 | E908 L909 | E908-S1364 WeakPolarHBondContact CB-OG 3.34Å; E908-S1364 VanDerWaalsContact CD-N 3.31Å; E908-S1364 WeakPolarHBondContact CG-OG 3.36Å; E908-S1364 WeakPolarHBondContact OE1-CB 3.46Å; E908-S1364 PolarHBondContact OE1-N 2.85Å; E908-S1364 PolarHBondContact OE1-OG 3.38Å; E908-S1364 VanDerWaalsContact OE2-CB 3.23Å; E908-S1364 WeakPolarHBondContact OE2-CB 3.46Å; E908-S1364 PolarHBondContact OE2-N 3.34Å; E908-S1364 PolarHBondContact OE2-OG 2.85Å; L909-S1364 WeakPolarHBondContact CG-OG 3.44Å | ||
| 1365 | V | 31.6 | Very low | 32.7 | Very low | 127 Ų | 127 | 111.1 Ų | 111.1 | 77% | 0.77 | 61% | 0.605 | S | S | * | * | trans | -147.8 | 125.8 | 178.7 | 179 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1366 | T | 26.3 | Very low | 35 | Very low | 71 Ų | 71 | 104.2 Ų | 104.2 | 44% | 0.436 | 58% | 0.577 | S | S | . | * | trans | -144.8 | 99.9 | 152.2 | 54.2 | 0 | 0 | 0 | 0 | 113.5 | L909 P910 | L909-T1366 HydrophobicContact CD1-CG2 3.97Å; L909-T1366 HydrophobicContact CD2-CG2 3.82Å; L909-T1366 WeakPolarHBondContact CD2-OG1 3.2Å; P910-T1366 HydrophobicContact CG-CG2 4.17Å | ||
| 1367 | S | 27.6 | Very low | 37.9 | Very low | 49 Ų | 49 | 98.3 Ų | 98.3 | 34% | 0.343 | 55% | 0.55 | S | S | . | . | trans | 46.2 | 119.3 | 130.1 | 60.9 | 0 | 0 | 0 | 0 | 121.3 | Y962 | Y962-S1367 WeakPolarHBondContact CB-OG 3.48Š| ||
| 1368 | S | 27.9 | Very low | 40.8 | Very low | 107 Ų | 107 | 96 Ų | 96 | 75% | 0.748 | 54% | 0.539 | S | S | * | . | trans | -155.4 | 101.1 | 145.5 | -75.3 | 0 | 0 | 0 | 0 | 109.6 | L1370 | S1368-L1370 PolarHBondContact O-N 3.07Š| ||
| 1369 | S | 26 | Very low | 43.9 | Very low | 68 Ų | 68 | 90.8 Ų | 90.8 | 48% | 0.476 | 51% | 0.511 | S | S | . | . | trans | -80.9 | 109.1 | -177.4 | 51.5 | 0 | 0 | 0 | 0 | 112.7 | L964 | L964-S1369 PolarHBondContact N-OG 2.87Š| ||
| 1370 | L | 28.3 | Very low | 46.7 | Very low | 114 Ų | 114 | 86 Ų | 86 | 60% | 0.597 | 49% | 0.489 | S | S | * | . | trans | -145.4 | 140.6 | 172.8 | -80.1 | 178.6 | 0 | 0 | 0 | 112.4 | L964 S1368 | L964-L1370 HydrophobicContact CD2-CD1 4.34Å; L964-L1370 HydrophobicContact CD2-CD2 3.79Å; L964-L1370 HydrophobicContact CD2-CG 3.88Å; S1368-L1370 PolarHBondContact O-N 3.07Å | ||
| 1371 | Y | 36 | Very low | 49.7 | Very low | 170 Ų | 170 | 84.3 Ų | 84.3 | 67% | 0.667 | 48% | 0.48 | S | S | * | . | trans | 63.5 | 97.9 | 165.4 | -50.4 | -54.1 | 0 | 0 | 0 | 119.1 | F1373 | Y1371-F1373 AromaticContact CD1-CD2 3.88Å; Y1371-F1373 HydrophobicContact CD1-CD2 3.88Å; Y1371-F1373 HydrophobicContact CD1-CE2 4.03Å; Y1371-F1373 HydrophobicContact CG-CD2 4.39Å; Y1371-F1373 PolarHBondContact O-N 3.04Å | ||
| 1372 | D | 32.8 | Very low | 52.5 | Low | 135 Ų | 135 | 81.9 Ų | 81.9 | 72% | 0.722 | 46% | 0.46 | S | S | * | . | trans | -84.3 | 33.8 | 166 | -142.4 | 7.1 | 0 | 0 | 0 | 111.4 | M1283 | M1283-D1372 WeakPolarHBondContact CE-OD2 3.36Š| ||
| 1373 | F | 45.5 | Very low | 55.5 | Low | 109 Ų | 109 | 79.1 Ų | 79.1 | 48% | 0.478 | 44% | 0.437 | S | S | . | . | trans | -101 | 95.2 | -170.4 | -78.1 | -102.4 | 0 | 0 | 0 | 111.5 | Y1371 L1375 | Y1371-F1373 AromaticContact CD1-CD2 3.88Å; Y1371-F1373 HydrophobicContact CD1-CD2 3.88Å; Y1371-F1373 HydrophobicContact CD1-CE2 4.03Å; Y1371-F1373 HydrophobicContact CG-CD2 4.39Å; Y1371-F1373 PolarHBondContact O-N 3.04Å; F1373-L1375 VanDerWaalsContact C-N 3.3Å; F1373-L1375 PolarHBondContact O-N 2.85Å | ||
| 1374 | N | 61.6 | Low | 58.1 | Low | 109 Ų | 109 | 76.8 Ų | 76.8 | 58% | 0.583 | 43% | 0.429 | S | S | * | . | trans | -71.1 | 86.6 | 164.4 | -91.7 | -25.1 | 0 | 0 | 0 | 110.1 | S1376 | N1374-S1376 PolarHBondContact O-N 3.03Š| ||
| 1375 | L | 74.9 | Confident | 60.8 | Low | 20 Ų | 20 | 80.8 Ų | 80.8 | 11% | 0.105 | 44% | 0.444 | C | S | . | . | trans | -53.2 | 120.2 | 168.9 | -74.1 | 173.4 | 0 | 0 | 0 | 109.8 | Y1106 A1109 Q1110 F1118 I1121 F1373 | Y1106-L1375 WeakPolarHBondContact CD1-O 3.12Å; Y1106-L1375 WeakPolarHBondContact CE1-O 3.42Å; A1109-L1375 HydrophobicContact CB-CD1 4.5Å; A1109-L1375 WeakPolarHBondContact O-CD1 3.44Å; Q1110-L1375 HydrophobicContact CG-CB 4.48Å; F1118-L1375 HydrophobicContact CB-CD2 3.75Å; F1118-L1375 VanDerWaalsContact O-CD2 3.32Å; F1118-L1375 WeakPolarHBondContact O-CD2 3.46Å; I1121-L1375 HydrophobicContact CG1-CB 4.29Å; F1373-L1375 VanDerWaalsContact C-N 3.3Å; F1373-L1375 PolarHBondContact O-N 2.85Å | ||
| 1376 | S | 80.4 | Confident | 63.5 | Low | 32 Ų | 32 | 78.2 Ų | 78.2 | 22% | 0.224 | 42% | 0.422 | C | S | . | . | B | Isolated β-bridge | trans | -131.7 | 168.7 | -179 | 54.1 | 0 | 0 | 0 | 0 | 110.4 | M1120 I1121 N1374 | M1120-S1376 VanDerWaalsContact CA-O 3.26Å; M1120-S1376 WeakPolarHBondContact CA-O 3.48Å; I1121-S1376 PolarHBondContact N-O 3.12Å; N1374-S1376 PolarHBondContact O-N 3.03Å |
| 1377 | N | 87.3 | Confident | 66.4 | Low | 24 Ų | 24 | 77.3 Ų | 77.3 | 13% | 0.128 | 42% | 0.415 | C | S | . | . | trans | -116.8 | 143.1 | 158 | -174.6 | -80.5 | 0 | 0 | 0 | 108.5 | Y1106 I1121 Y1123 L1126 D1379 | Y1106-N1377 PolarHBondContact OH-N 3.27Å; I1121-N1377 PolarHBondContact O-ND2 2.88Å; Y1123-N1377 WeakPolarHBondContact CD2-OD1 3.49Å; Y1123-N1377 PolarHBondContact N-ND2 2.86Å; L1126-N1377 HydrophobicContact CD2-CB 4.04Å; N1377-D1379 PolarHBondContact ND2-OD2 3.32Å; N1377-D1379 WeakPolarHBondContact OD1-CB 3.34Å; N1377-D1379 PolarHBondContact OD1-N 3.19Å | ||
| 1378 | Q | 87.6 | Confident | 69.1 | Low | 113 Ų | 113 | 80.2 Ų | 80.2 | 53% | 0.528 | 43% | 0.43 | S | S | . | . | trans | -129.7 | 10.2 | 177.4 | -61.6 | -175.4 | 8 | 0 | 0 | 112.1 | E1380 L1381 L1382 | Q1378-E1380 VanDerWaalsContact C-N 3.26Å; Q1378-E1380 PolarHBondContact O-N 3.24Å; Q1378-L1381 HydrophobicContact CB-CD1 4.49Å; Q1378-L1381 WeakPolarHBondContact O-CB 3.4Å; Q1378-L1381 PolarHBondContact O-N 3.43Å; Q1378-L1382 WeakPolarHBondContact O-CG 3.37Å; Q1378-L1382 PolarHBondContact O-N 3.45Å | ||
| 1379 | D | 91.5 | Very high | 71.8 | Confident | 2 Ų | 2 | 84.3 Ų | 84.3 | 1% | 0.011 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -60.6 | -35.9 | -170 | -67.1 | -28.7 | 0 | 0 | 0 | 111.8 | M1120 Y1123 N1377 L1381 L1382 I1383 V1470 I1524 Y1526 | M1120-D1379 WeakPolarHBondContact CE-OD1 3.46Å; Y1123-D1379 WeakPolarHBondContact CB-OD2 3.5Å; N1377-D1379 PolarHBondContact ND2-OD2 3.32Å; N1377-D1379 WeakPolarHBondContact OD1-CB 3.34Å; N1377-D1379 PolarHBondContact OD1-N 3.19Å; D1379-L1381 VanDerWaalsContact C-N 3.27Å; D1379-L1381 PolarHBondContact O-N 3.38Å; D1379-L1382 PolarHBondContact O-N 2.85Å; D1379-I1383 WeakPolarHBondContact O-CG1 3.41Å; D1379-I1383 PolarHBondContact O-N 2.98Å; D1379-V1470 HydrophobicContact CB-CG1 4.33Å; D1379-V1470 HydrophobicContact CB-CG2 4.29Å; D1379-I1524 HydrophobicContact CB-CB 4.46Å; D1379-I1524 HydrophobicContact CB-CD1 3.86Å; D1379-I1524 HydrophobicContact CB-CG2 4.16Å; D1379-Y1526 WeakPolarHBondContact OD2-CE2 3.25Å; D1379-Y1526 PolarHBondContact OD2-OH 3.04Å |
| 1380 | E | 86.9 | Confident | 74.6 | Confident | 57 Ų | 57 | 85.2 Ų | 85.2 | 27% | 0.266 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -58.3 | -36 | 175.2 | -57.7 | -172.1 | 157.8 | 0 | 0 | 113.1 | Y1123 F1303 Q1378 L1382 L1474 | Y1123-E1380 HydrophobicContact CD2-CG 4.25Å; Y1123-E1380 HydrophobicContact CE2-CG 3.43Å; Y1123-E1380 VanDerWaalsContact CE2-CG 3.43Å; Y1123-E1380 WeakPolarHBondContact CE2-OE1 3.47Å; Y1123-E1380 VanDerWaalsContact CZ-OE1 3.29Å; Y1123-E1380 PolarHBondContact OH-OE1 3.08Å; F1303-E1380 VanDerWaalsContact CE2-OE2 3.27Å; F1303-E1380 WeakPolarHBondContact CE2-OE2 3.46Å; Q1378-E1380 VanDerWaalsContact C-N 3.26Å; Q1378-E1380 PolarHBondContact O-N 3.24Å; E1380-L1382 VanDerWaalsContact C-N 3.26Å; E1380-L1382 PolarHBondContact O-N 2.88Å; E1380-L1474 HydrophobicContact CB-CD1 4.45Å; E1380-L1474 HydrophobicContact CG-CD1 4.5Å; E1380-L1474 HydrophobicContact CG-CD2 4.09Å |
| 1381 | L | 86.9 | Confident | 77.4 | Confident | 120 Ų | 120 | 82.2 Ų | 82.2 | 63% | 0.628 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -77.4 | -14.5 | 178.9 | -54.9 | 176.9 | 0 | 0 | 0 | 112.4 | Q1378 D1379 Q1385 | Q1378-L1381 HydrophobicContact CB-CD1 4.49Å; Q1378-L1381 WeakPolarHBondContact O-CB 3.4Å; Q1378-L1381 PolarHBondContact O-N 3.43Å; D1379-L1381 VanDerWaalsContact C-N 3.27Å; D1379-L1381 PolarHBondContact O-N 3.38Å; L1381-Q1385 PolarHBondContact O-NE2 3.02Å |
| 1382 | L | 86.4 | Confident | 80.1 | Confident | 57 Ų | 57 | 76.6 Ų | 76.6 | 30% | 0.298 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -100.7 | -6.9 | -177.8 | -60.6 | 177 | 0 | 0 | 0 | 112.7 | Q1378 D1379 E1380 G1384 Q1385 I1524 | Q1378-L1382 WeakPolarHBondContact O-CG 3.37Å; Q1378-L1382 PolarHBondContact O-N 3.45Å; D1379-L1382 PolarHBondContact O-N 2.85Å; E1380-L1382 VanDerWaalsContact C-N 3.26Å; E1380-L1382 PolarHBondContact O-N 2.88Å; L1382-G1384 PolarHBondContact O-N 2.88Å; L1382-Q1385 VanDerWaalsContact O-CB 3.27Å; L1382-Q1385 WeakPolarHBondContact O-CB 3.41Å; L1382-Q1385 WeakPolarHBondContact O-CG 3.44Å; L1382-Q1385 PolarHBondContact O-N 3.36Å; L1382-Q1385 VanDerWaalsContact O-N 3.11Å; L1382-I1524 HydrophobicContact CB-CD1 3.57Å; L1382-I1524 HydrophobicContact CD1-CD1 4.05Å; L1382-I1524 HydrophobicContact CG-CD1 4.45Å |
| 1383 | I | 87.2 | Confident | 83.1 | Confident | 37 Ų | 37 | 70.2 Ų | 70.2 | 19% | 0.19 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | 133.3 | 176.6 | -57.7 | -56.4 | 0 | 0 | 0 | 111.2 | D1379 Q1385 V1470 H1471 L1474 I1524 | D1379-I1383 WeakPolarHBondContact O-CG1 3.41Å; D1379-I1383 PolarHBondContact O-N 2.98Å; I1383-Q1385 VanDerWaalsContact C-N 3.26Å; I1383-Q1385 PolarHBondContact O-N 3.14Å; I1383-V1470 HydrophobicContact CD1-CB 3.72Å; I1383-V1470 HydrophobicContact CD1-CG1 3.64Å; I1383-V1470 HydrophobicContact CG1-CG1 3.94Å; I1383-H1471 HydrophobicContact CG2-CB 4.27Å; I1383-H1471 VanDerWaalsContact CG2-ND1 3.29Å; I1383-H1471 WeakPolarHBondContact CG2-ND1 3.4Å; I1383-L1474 HydrophobicContact CG1-CD1 3.96Å; I1383-I1524 HydrophobicContact CD1-CB 3.88Å; I1383-I1524 HydrophobicContact CD1-CG1 4.02Å |
| 1384 | G | 81.9 | Confident | 85.5 | Confident | 54 Ų | 54 | 67.6 Ų | 67.6 | 56% | 0.557 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.8 | -5.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114 | L1382 F1386 G1522 | L1382-G1384 PolarHBondContact O-N 2.88Å; G1384-F1386 PolarHBondContact O-N 3.44Å; G1384-F1386 VanDerWaalsContact O-N 3.08Å; G1384-G1522 PolarHBondContact N-O 3.27Å |
| 1385 | Q | 82.8 | Confident | 87.2 | Confident | 122 Ų | 122 | 62.9 Ų | 62.9 | 57% | 0.57 | 34% | 0.339 | S | S | * | . | trans | -76.1 | 98.2 | 172.2 | -58.2 | -168 | 24.3 | 0 | 0 | 109.4 | L1381 L1382 I1383 | L1381-Q1385 PolarHBondContact O-NE2 3.02Å; L1382-Q1385 VanDerWaalsContact O-CB 3.27Å; L1382-Q1385 WeakPolarHBondContact O-CB 3.41Å; L1382-Q1385 WeakPolarHBondContact O-CG 3.44Å; L1382-Q1385 PolarHBondContact O-N 3.36Å; L1382-Q1385 VanDerWaalsContact O-N 3.11Å; I1383-Q1385 VanDerWaalsContact C-N 3.26Å; I1383-Q1385 PolarHBondContact O-N 3.14Å | ||
| 1386 | F | 88 | Confident | 88.2 | Confident | 72 Ų | 72 | 62.8 Ų | 62.8 | 32% | 0.316 | 34% | 0.338 | S | S | . | . | trans | -115.7 | 119.5 | 177.1 | -180 | -121.8 | 0 | 0 | 0 | 110.6 | G1384 V1388 N1438 E1440 T1521 | G1384-F1386 PolarHBondContact O-N 3.44Å; G1384-F1386 VanDerWaalsContact O-N 3.08Å; F1386-V1388 HydrophobicContact CD1-CG2 3.95Å; F1386-V1388 HydrophobicContact CE1-CG2 3.61Å; F1386-V1388 HydrophobicContact CZ-CG2 4.33Å; F1386-N1438 VanDerWaalsContact CD2-OD1 3.23Å; F1386-N1438 WeakPolarHBondContact CD2-OD1 3.46Å; F1386-E1440 HydrophobicContact CE1-CG 4.3Å; F1386-E1440 HydrophobicContact CE2-CG 3.85Å; F1386-E1440 HydrophobicContact CZ-CG 3.41Å; F1386-E1440 VanDerWaalsContact CZ-CG 3.41Å; F1386-T1521 HydrophobicContact CB-CG2 3.97Å; F1386-T1521 HydrophobicContact CD1-CG2 3.52Å; F1386-T1521 HydrophobicContact CD2-CG2 3.94Å; F1386-T1521 HydrophobicContact CE1-CG2 3.95Å; F1386-T1521 HydrophobicContact CE2-CG2 4.37Å; F1386-T1521 HydrophobicContact CG-CG2 3.52Å; F1386-T1521 HydrophobicContact CZ-CG2 4.38Å | ||
| 1387 | D | 88 | Confident | 89 | Confident | 53 Ų | 53 | 61.4 Ų | 61.4 | 28% | 0.283 | 33% | 0.328 | S | S | . | . | trans | -107.2 | 99.4 | -176.5 | -175.7 | -22.6 | 0 | 0 | 0 | 109.6 | E1389 K1390 N1438 | D1387-E1389 VanDerWaalsContact C-N 3.28Å; D1387-E1389 PolarHBondContact O-N 3.44Å; D1387-E1389 PolarHBondContact OD1-N 2.94Å; D1387-K1390 HydrophobicContact CB-CD 3.96Å; D1387-K1390 HydrophobicContact CB-CG 4.35Å; D1387-K1390 PolarHBondContact OD1-N 3.46Å; D1387-K1390 VanDerWaalsContact OD1-N 3.1Å; D1387-K1390 VanDerWaalsContact OD2-CD 3.3Å; D1387-K1390 WeakPolarHBondContact OD2-CD 3.48Å; D1387-K1390 WeakPolarHBondContact OD2-CE 3.08Å; D1387-K1390 WeakPolarHBondContact OD2-CG 3.48Å; D1387-K1390 IonicContact OD2-NZ 3.84Å; D1387-K1390 PolarHBondContact OD2-NZ 3.47Å; D1387-N1438 PolarHBondContact N-OD1 2.97Å; D1387-N1438 PolarHBondContact O-ND2 3Å; D1387-N1438 PolarHBondContact O-OD1 2.96Å | ||
| 1388 | V | 82.7 | Confident | 89.3 | Confident | 109 Ų | 109 | 61.8 Ų | 61.8 | 66% | 0.661 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -29.3 | 178.6 | -175.2 | 0 | 0 | 0 | 0 | 111.6 | F1386 G1391 | F1386-V1388 HydrophobicContact CD1-CG2 3.95Å; F1386-V1388 HydrophobicContact CE1-CG2 3.61Å; F1386-V1388 HydrophobicContact CZ-CG2 4.33Å; V1388-G1391 PolarHBondContact O-N 2.89Å |
| 1389 | E | 84.5 | Confident | 89.7 | Confident | 193 Ų | 193 | 56.5 Ų | 56.5 | 90% | 0.902 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -28.8 | -173.4 | -59.8 | -162.9 | 165.7 | 0 | 0 | 112.2 | D1387 | D1387-E1389 VanDerWaalsContact C-N 3.28Å; D1387-E1389 PolarHBondContact O-N 3.44Å; D1387-E1389 PolarHBondContact OD1-N 2.94Å |
| 1390 | K | 85.3 | Confident | 89.9 | Confident | 87 Ų | 87 | 57.1 Ų | 57.1 | 38% | 0.378 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -39.5 | 170.5 | -75.1 | 171.6 | -171.8 | 149.5 | 0 | 113.1 | D1387 H1392 E1394 | D1387-K1390 HydrophobicContact CB-CD 3.96Å; D1387-K1390 HydrophobicContact CB-CG 4.35Å; D1387-K1390 PolarHBondContact OD1-N 3.46Å; D1387-K1390 VanDerWaalsContact OD1-N 3.1Å; D1387-K1390 VanDerWaalsContact OD2-CD 3.3Å; D1387-K1390 WeakPolarHBondContact OD2-CD 3.48Å; D1387-K1390 WeakPolarHBondContact OD2-CE 3.08Å; D1387-K1390 WeakPolarHBondContact OD2-CG 3.48Å; D1387-K1390 IonicContact OD2-NZ 3.84Å; D1387-K1390 PolarHBondContact OD2-NZ 3.47Å; K1390-H1392 PolarHBondContact O-CD2 3.33Å; K1390-H1392 PolarHBondContact O-N 2.83Å; K1390-H1392 VanDerWaalsContact O-N 3.11Å; K1390-E1394 HydrophobicContact CD-CG 4.49Å; K1390-E1394 WeakPolarHBondContact CD-OE1 3.33Å; K1390-E1394 VanDerWaalsContact CE-OE1 3.29Å; K1390-E1394 WeakPolarHBondContact CE-OE1 3.37Å; K1390-E1394 IonicContact NZ-OE1 2.71Å; K1390-E1394 PolarHBondContact NZ-OE1 3.34Å |
| 1391 | G | 86.9 | Confident | 90.3 | Very high | 51 Ų | 51 | 54.5 Ų | 54.5 | 53% | 0.526 | 29% | 0.294 | S | S | . | . | trans | 62 | 15.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | V1388 Q1409 | V1388-G1391 PolarHBondContact O-N 2.89Å; G1391-Q1409 PolarHBondContact O-NE2 2.84Å | ||
| 1392 | H | 93 | Very high | 90.8 | Very high | 52 Ų | 52 | 49 Ų | 49 | 24% | 0.241 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -145.9 | 158.1 | 179.7 | 67.9 | 75 | 0 | 0 | 0 | 112.7 | V1265 K1390 Y1415 N1438 | V1265-H1392 HydrophobicContact CG1-CB 3.95Å; K1390-H1392 PolarHBondContact O-CD2 3.33Å; K1390-H1392 PolarHBondContact O-N 2.83Å; K1390-H1392 VanDerWaalsContact O-N 3.11Å; H1392-Y1415 WeakPolarHBondContact CA-OH 3.33Å; H1392-N1438 PolarHBondContact O-ND2 2.59Å |
| 1393 | L | 96.1 | Very high | 91.3 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | trans | -65.9 | 144.9 | 167 | -65.8 | -178.3 | 0 | 0 | 0 | 110.5 | F1395 Y1415 I1436 M1439 Y1445 F1447 | L1393-F1395 HydrophobicContact CB-CE2 3.75Å; L1393-F1395 HydrophobicContact CB-CZ 4.04Å; L1393-F1395 HydrophobicContact CD1-CZ 4.18Å; L1393-Y1415 HydrophobicContact CB-CE1 4.12Å; L1393-Y1415 HydrophobicContact CB-CE2 4.36Å; L1393-Y1415 HydrophobicContact CD1-CD2 4.06Å; L1393-Y1415 HydrophobicContact CD1-CE2 3.73Å; L1393-Y1415 HydrophobicContact CG-CE2 3.91Å; L1393-Y1415 PolarHBondContact N-OH 3.08Å; L1393-I1436 HydrophobicContact CB-CG2 4.14Å; L1393-I1436 HydrophobicContact CD1-CG2 3.92Å; L1393-I1436 HydrophobicContact CD2-CG2 3.95Å; L1393-I1436 HydrophobicContact CG-CG2 4.23Å; L1393-M1439 HydrophobicContact CD2-CB 3.63Å; L1393-Y1445 HydrophobicContact CD1-CD1 3.54Å; L1393-Y1445 HydrophobicContact CD1-CE1 3.85Å; L1393-Y1445 HydrophobicContact CD1-CG 4.28Å; L1393-Y1445 HydrophobicContact CD2-CD1 4.13Å; L1393-Y1445 HydrophobicContact CD2-CE1 3.59Å; L1393-Y1445 HydrophobicContact CG-CD1 3.87Å; L1393-Y1445 HydrophobicContact CG-CE1 3.62Å; L1393-F1447 HydrophobicContact CD1-CE1 3.78Å; L1393-F1447 HydrophobicContact CD1-CZ 3.68Å | ||
| 1394 | E | 95.4 | Very high | 91.8 | Very high | 54 Ų | 54 | 44.9 Ų | 44.9 | 25% | 0.252 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 154.7 | 167.2 | -65.6 | 174.8 | 155.3 | 0 | 0 | 109.9 | K1390 I1436 S1437 N1438 | K1390-E1394 HydrophobicContact CD-CG 4.49Å; K1390-E1394 WeakPolarHBondContact CD-OE1 3.33Å; K1390-E1394 VanDerWaalsContact CE-OE1 3.29Å; K1390-E1394 WeakPolarHBondContact CE-OE1 3.37Å; K1390-E1394 IonicContact NZ-OE1 2.71Å; K1390-E1394 PolarHBondContact NZ-OE1 3.34Å; E1394-I1436 VanDerWaalsContact O-CA 3.28Å; E1394-I1436 WeakPolarHBondContact O-CA 3.33Å; E1394-S1437 VanDerWaalsContact CB-OG 3.3Å; E1394-S1437 WeakPolarHBondContact CB-OG 3.26Å; E1394-S1437 PolarHBondContact N-O 3.11Å; E1394-S1437 PolarHBondContact O-N 3.46Å; E1394-S1437 WeakPolarHBondContact OE2-CB 3.37Å; E1394-S1437 PolarHBondContact OE2-OG 2.95Å; E1394-N1438 HydrophobicContact CG-CB 4.16Å |
| 1395 | F | 97.4 | Very high | 92.5 | Very high | 11 Ų | 11 | 45.8 Ų | 45.8 | 5% | 0.048 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 151.7 | 179.9 | -60.6 | -102 | 0 | 0 | 0 | 110.7 | V1265 Y1266 L1393 L1404 A1407 Y1415 L1417 F1434 R1435 I1436 F1447 | V1265-F1395 HydrophobicContact CG2-CD2 3.89Å; V1265-F1395 HydrophobicContact CG2-CE2 3.71Å; Y1266-F1395 HydrophobicContact CD2-CB 4.15Å; Y1266-F1395 WeakPolarHBondContact CD2-O 3.26Å; Y1266-F1395 WeakPolarHBondContact CE2-O 3.39Å; Y1266-F1395 HydrophobicContact CG-CB 3.98Å; L1393-F1395 HydrophobicContact CB-CE2 3.75Å; L1393-F1395 HydrophobicContact CB-CZ 4.04Å; L1393-F1395 HydrophobicContact CD1-CZ 4.18Å; F1395-L1404 HydrophobicContact CB-CD2 3.87Å; F1395-L1404 HydrophobicContact CD1-CD2 3.68Å; F1395-L1404 HydrophobicContact CG-CD2 4.04Å; F1395-A1407 HydrophobicContact CD1-CB 4.16Å; F1395-A1407 HydrophobicContact CD2-CB 3.6Å; F1395-A1407 HydrophobicContact CE1-CB 4.16Å; F1395-A1407 HydrophobicContact CE2-CB 3.61Å; F1395-A1407 HydrophobicContact CG-CB 3.9Å; F1395-A1407 HydrophobicContact CZ-CB 3.9Å; F1395-Y1415 AromaticContact CE2-CD1 3.74Å; F1395-Y1415 HydrophobicContact CE2-CD1 3.74Å; F1395-Y1415 AromaticContact CE2-CE1 3.92Å; F1395-Y1415 HydrophobicContact CE2-CE1 3.92Å; F1395-Y1415 HydrophobicContact CE2-CG 4.46Å; F1395-Y1415 AromaticContact CZ-CD1 3.71Å; F1395-Y1415 HydrophobicContact CZ-CD1 3.71Å; F1395-Y1415 HydrophobicContact CZ-CE1 4.21Å; F1395-Y1415 AromaticContact CZ-CG 3.98Å; F1395-Y1415 HydrophobicContact CZ-CG 3.98Å; F1395-L1417 HydrophobicContact CE1-CD2 3.89Å; F1395-L1417 HydrophobicContact CZ-CD2 4.18Å; F1395-F1434 AromaticContact CD1-CD2 3.91Å; F1395-F1434 HydrophobicContact CD1-CD2 3.91Å; F1395-F1434 AromaticContact CD1-CE2 3.99Å; F1395-F1434 HydrophobicContact CD1-CE2 3.99Å; F1395-F1434 HydrophobicContact CE1-CD2 4.45Å; F1395-F1434 HydrophobicContact CE1-CE2 4.06Å; F1395-R1435 VanDerWaalsContact CA-O 3.31Å; F1395-R1435 WeakPolarHBondContact CA-O 3.35Å; F1395-I1436 HydrophobicContact CD1-CG1 4.19Å; F1395-I1436 HydrophobicContact CE1-CD1 4.37Å; F1395-I1436 HydrophobicContact CE1-CG1 4.22Å; F1395-F1447 HydrophobicContact CE1-CE1 4.07Å; F1395-F1447 HydrophobicContact CZ-CE1 4.1Å |
| 1396 | E | 96.5 | Very high | 93.1 | Very high | 17 Ų | 17 | 41.7 Ų | 41.7 | 8% | 0.079 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 148.2 | 167.8 | -173.1 | 54.7 | -84.4 | 0 | 0 | 111.8 | M1120 Y1266 R1398 F1399 F1434 R1435 | M1120-E1396 HydrophobicContact SD-CG 4.03Å; Y1266-E1396 PolarHBondContact OH-OE1 2.71Å; E1396-R1398 WeakPolarHBondContact OE1-CB 3.48Å; E1396-R1398 VanDerWaalsContact OE1-CG 3.32Å; E1396-R1398 WeakPolarHBondContact OE1-CG 3.43Å; E1396-R1398 PolarHBondContact OE1-N 3.37Å; E1396-R1398 IonicContact OE1-NE 3.87Å; E1396-R1398 PolarHBondContact OE1-NE 2.87Å; E1396-R1398 IonicContact OE2-CZ 3.56Å; E1396-R1398 VanDerWaalsContact OE2-CZ 3.24Å; E1396-R1398 IonicContact OE2-NE 3.97Å; E1396-R1398 PolarHBondContact OE2-NE 2.69Å; E1396-R1398 IonicContact OE2-NH2 3.49Å; E1396-R1398 PolarHBondContact OE2-NH2 3.22Å; E1396-F1399 HydrophobicContact CG-CD1 4.44Å; E1396-F1399 WeakPolarHBondContact O-CE1 3.38Å; E1396-F1434 CarbonylContact O-C 3.6Å; E1396-F1434 VanDerWaalsContact O-CA 3.32Å; E1396-F1434 WeakPolarHBondContact O-CA 3.45Å; E1396-F1434 WeakPolarHBondContact O-CB 3.25Å; E1396-R1435 HydrophobicContact CB-CB 4.23Å; E1396-R1435 PolarHBondContact N-O 2.62Å; E1396-R1435 PolarHBondContact O-N 3.09Å |
| 1397 | S | 96.4 | Very high | 93.6 | Very high | 4 Ų | 4 | 38.2 Ų | 38.2 | 3% | 0.028 | 20% | 0.197 | C | C | . | . | trans | -146 | 6.3 | 175.3 | 66.6 | 0 | 0 | 0 | 0 | 114.1 | Y1266 F1399 L1404 | Y1266-S1397 PolarHBondContact OH-N 2.9Å; Y1266-S1397 VanDerWaalsContact OH-N 3.09Å; Y1266-S1397 PolarHBondContact OH-OG 2.95Å; S1397-F1399 PolarHBondContact O-N 2.87Å; S1397-L1404 PolarHBondContact OG-O 3.05Å | ||
| 1398 | R | 95 | Very high | 93.9 | Very high | 32 Ų | 32 | 36.5 Ų | 36.5 | 12% | 0.121 | 19% | 0.187 | C | C | . | . | trans | -75.8 | 59.1 | 174.8 | -66.2 | 178 | -67.8 | 153 | 8.9 | 112.1 | F1118 E1119 L1268 Q1275 E1396 | F1118-R1398 WeakPolarHBondContact CA-O 3.46Å; E1119-R1398 HydrophobicContact CB-CB 4.4Å; E1119-R1398 HydrophobicContact CG-CB 3.76Å; E1119-R1398 HydrophobicContact CG-CG 4.49Å; E1119-R1398 PolarHBondContact N-O 2.98Å; E1119-R1398 IonicContact OE1-NH1 3.93Å; E1119-R1398 IonicContact OE2-CZ 3.67Å; E1119-R1398 VanDerWaalsContact OE2-CZ 3.3Å; E1119-R1398 IonicContact OE2-NH1 2.74Å; E1119-R1398 PolarHBondContact OE2-NH1 3.41Å; E1119-R1398 IonicContact OE2-NH2 3.5Å; E1119-R1398 PolarHBondContact OE2-NH2 3.18Å; L1268-R1398 HydrophobicContact CD1-CG 3.55Å; Q1275-R1398 VanDerWaalsContact NE2-NH1 3.1Å; E1396-R1398 WeakPolarHBondContact OE1-CB 3.48Å; E1396-R1398 VanDerWaalsContact OE1-CG 3.32Å; E1396-R1398 WeakPolarHBondContact OE1-CG 3.43Å; E1396-R1398 PolarHBondContact OE1-N 3.37Å; E1396-R1398 IonicContact OE1-NE 3.87Å; E1396-R1398 PolarHBondContact OE1-NE 2.87Å; E1396-R1398 IonicContact OE2-CZ 3.56Å; E1396-R1398 VanDerWaalsContact OE2-CZ 3.24Å; E1396-R1398 IonicContact OE2-NE 3.97Å; E1396-R1398 PolarHBondContact OE2-NE 2.69Å; E1396-R1398 IonicContact OE2-NH2 3.49Å; E1396-R1398 PolarHBondContact OE2-NH2 3.22Å | ||
| 1399 | F | 94.8 | Very high | 94.5 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 0% | 0.004 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -149.9 | 168.1 | 177.1 | 52.5 | -106.4 | 0 | 0 | 0 | 110.2 | F1118 M1120 A1122 E1396 S1397 G1402 Y1433 R1435 Y1526 | F1118-F1399 VanDerWaalsContact CE1-C 3.49Å; F1118-F1399 WeakPolarHBondContact CE1-O 3.44Å; M1120-F1399 HydrophobicContact CG-CB 4.06Å; M1120-F1399 HydrophobicContact CG-CD1 3.96Å; M1120-F1399 HydrophobicContact CG-CG 4.47Å; M1120-F1399 WeakPolarHBondContact O-CB 3.49Å; M1120-F1399 HydrophobicContact SD-CD1 4.06Å; A1122-F1399 HydrophobicContact CB-CD2 3.78Å; A1122-F1399 HydrophobicContact CB-CE2 3.94Å; A1122-F1399 HydrophobicContact CB-CG 4.13Å; A1122-F1399 HydrophobicContact CB-CZ 4.42Å; E1396-F1399 HydrophobicContact CG-CD1 4.44Å; E1396-F1399 WeakPolarHBondContact O-CE1 3.38Å; S1397-F1399 PolarHBondContact O-N 2.87Å; F1399-G1402 PolarHBondContact O-N 2.99Å; F1399-Y1433 HydrophobicContact CD2-CD1 4.48Å; F1399-Y1433 HydrophobicContact CD2-CE1 4.31Å; F1399-Y1433 AromaticContact CE2-CD1 3.81Å; F1399-Y1433 HydrophobicContact CE2-CD1 3.81Å; F1399-Y1433 HydrophobicContact CE2-CD2 4.16Å; F1399-Y1433 AromaticContact CE2-CE1 3.79Å; F1399-Y1433 HydrophobicContact CE2-CE1 3.79Å; F1399-Y1433 HydrophobicContact CE2-CE2 4.11Å; F1399-Y1433 HydrophobicContact CE2-CG 4.01Å; F1399-Y1433 AromaticContact CE2-CZ 3.95Å; F1399-Y1433 HydrophobicContact CZ-CE2 4.49Å; F1399-R1435 HydrophobicContact CE1-CB 4.07Å; F1399-R1435 HydrophobicContact CZ-CB 4.5Å; F1399-Y1526 HydrophobicContact CE1-CE1 4.04Å; F1399-Y1526 HydrophobicContact CE2-CE1 4.46Å; F1399-Y1526 HydrophobicContact CZ-CD1 4.07Å; F1399-Y1526 AromaticContact CZ-CE1 3.82Å; F1399-Y1526 HydrophobicContact CZ-CE1 3.82Å |
| 1400 | E | 95.4 | Very high | 94.7 | Very high | 15 Ų | 15 | 23.8 Ų | 23.8 | 7% | 0.07 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 139.7 | -175.8 | -160.5 | -168.6 | 165.4 | 0 | 0 | 112.8 | I1112 F1118 G1402 T1534 Y1535 T1536 I1649 | I1112-E1400 HydrophobicContact CD1-CG 4.06Å; F1118-E1400 HydrophobicContact CE2-CB 4.07Å; F1118-E1400 HydrophobicContact CE2-CG 4.27Å; F1118-E1400 HydrophobicContact CZ-CB 4.15Å; F1118-E1400 HydrophobicContact CZ-CG 4.3Å; E1400-G1402 PolarHBondContact O-N 2.94Å; E1400-G1402 VanDerWaalsContact O-N 3.08Å; E1400-T1534 HydrophobicContact CB-CG2 4.37Å; E1400-T1534 HydrophobicContact CG-CG2 4.35Å; E1400-T1534 WeakPolarHBondContact OE1-CB 3.2Å; E1400-T1534 WeakPolarHBondContact OE2-CB 3.45Å; E1400-Y1535 WeakPolarHBondContact OE1-CA 3.4Å; E1400-Y1535 VanDerWaalsContact OE1-CB 3.32Å; E1400-Y1535 WeakPolarHBondContact OE1-CB 3.43Å; E1400-Y1535 PolarHBondContact OE1-N 2.9Å; E1400-T1536 PolarHBondContact OE1-N 3.42Å; E1400-T1536 WeakPolarHBondContact OE2-CB 3.47Å; E1400-T1536 PolarHBondContact OE2-OG1 3.17Å; E1400-I1649 HydrophobicContact CG-CB 4.45Å; E1400-I1649 HydrophobicContact CG-CG1 4.42Å |
| 1401 | C | 96.5 | Very high | 94.9 | Very high | 2 Ų | 2 | 21.7 Ų | 21.7 | 1% | 0.014 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | -0.2 | -171.1 | -61.3 | 0 | 0 | 0 | 0 | 115.3 | W1431 Y1433 T1534 V1648 I1649 | C1401-W1431 PolarHBondContact O-NE1 3.05Å; C1401-Y1433 HydrophobicContact CB-CD1 3.87Å; C1401-Y1433 HydrophobicContact CB-CE1 4.37Å; C1401-T1534 HydrophobicContact CB-CG2 4.48Å; C1401-V1648 WeakPolarHBondContact CA-O 3.3Å; C1401-V1648 VanDerWaalsContact SG-CG1 3.5Å; C1401-V1648 PolarHBondContact SG-O 2.82Å; C1401-I1649 PolarHBondContact N-O 3.32Å |
| 1402 | G | 96.6 | Very high | 95 | Very high | 4 Ų | 4 | 25.1 Ų | 25.1 | 4% | 0.041 | 11% | 0.113 | C | C | . | . | trans | -65 | 133.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | F1399 E1400 Y1433 | F1399-G1402 PolarHBondContact O-N 2.99Å; E1400-G1402 PolarHBondContact O-N 2.94Å; E1400-G1402 VanDerWaalsContact O-N 3.08Å; G1402-Y1433 CarbonylContact C-O 3.5Å; G1402-Y1433 WeakPolarHBondContact CA-O 3.24Å | ||
| 1403 | N | 97.2 | Very high | 95 | Very high | 9 Ų | 9 | 25.5 Ų | 25.5 | 5% | 0.048 | 11% | 0.113 | C | C | . | . | B | Isolated β-bridge | trans | -148.2 | 100.1 | 172.8 | -171.2 | -25.7 | 0 | 0 | 0 | 111 | N1420 Y1433 G1651 | N1403-N1420 PolarHBondContact ND2-O 3.33Å; N1403-N1420 VanDerWaalsContact ND2-O 3.08Å; N1403-N1420 WeakPolarHBondContact OD1-CB 3.48Å; N1403-N1420 PolarHBondContact OD1-N 3.37Å; N1403-Y1433 PolarHBondContact N-O 2.94Å; N1403-Y1433 PolarHBondContact O-N 2.96Å; N1403-G1651 PolarHBondContact ND2-O 3.44Å |
| 1404 | L | 97.6 | Very high | 95 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | -147.5 | 130 | 158.3 | 176.8 | 65 | 0 | 0 | 0 | 107.3 | Y1266 F1395 S1397 A1407 L1417 L1419 F1434 | Y1266-L1404 HydrophobicContact CD1-CD2 4.17Å; Y1266-L1404 HydrophobicContact CD1-CG 4.29Å; Y1266-L1404 HydrophobicContact CE1-CD2 4.49Å; Y1266-L1404 HydrophobicContact CE1-CG 4.42Å; F1395-L1404 HydrophobicContact CB-CD2 3.87Å; F1395-L1404 HydrophobicContact CD1-CD2 3.68Å; F1395-L1404 HydrophobicContact CG-CD2 4.04Å; S1397-L1404 PolarHBondContact OG-O 3.05Å; L1404-A1407 HydrophobicContact CD2-CB 4.46Å; L1404-L1417 HydrophobicContact CD1-CB 4.07Å; L1404-L1417 HydrophobicContact CD1-CD2 4.3Å; L1404-L1419 HydrophobicContact CD1-CD2 4.26Å; L1404-F1434 HydrophobicContact CB-CB 3.87Å; L1404-F1434 HydrophobicContact CB-CD1 4.03Å; L1404-F1434 HydrophobicContact CB-CG 4.08Å; L1404-F1434 HydrophobicContact CD2-CB 4.09Å; L1404-F1434 HydrophobicContact CD2-CD1 4.33Å; L1404-F1434 HydrophobicContact CD2-CD2 4Å; L1404-F1434 HydrophobicContact CD2-CE2 4.5Å; L1404-F1434 HydrophobicContact CD2-CG 3.9Å | ||
| 1405 | R | 95.7 | Very high | 95.1 | Very high | 73 Ų | 73 | 23.9 Ų | 23.9 | 28% | 0.275 | 11% | 0.105 | S | C | . | . | trans | -93.1 | -45.6 | -179.5 | -169.8 | -173.6 | 178.6 | 141.6 | 7.2 | 112.5 | L1268 D1269 I1418 N1420 | L1268-R1405 WeakPolarHBondContact CB-O 3.35Å; L1268-R1405 PolarHBondContact N-O 3.17Å; D1269-R1405 VanDerWaalsContact CG-NH2 3.3Å; D1269-R1405 IonicContact OD1-CZ 2.7Å; D1269-R1405 IonicContact OD1-NE 2.73Å; D1269-R1405 PolarHBondContact OD1-NE 3Å; D1269-R1405 IonicContact OD1-NH2 3.74Å; D1269-R1405 PolarHBondContact OD1-NH2 3.02Å; D1269-R1405 IonicContact OD2-CZ 2.72Å; D1269-R1405 IonicContact OD2-NE 3.83Å; D1269-R1405 PolarHBondContact OD2-NE 3.2Å; D1269-R1405 IonicContact OD2-NH2 3.92Å; D1269-R1405 PolarHBondContact OD2-NH2 2.71Å; R1405-I1418 WeakPolarHBondContact CA-O 3.45Å; R1405-I1418 VanDerWaalsContact CB-O 3.25Å; R1405-I1418 WeakPolarHBondContact CB-O 3.33Å; R1405-I1418 PolarHBondContact N-O 2.81Å; R1405-N1420 HydrophobicContact CB-CB 4.23Å | ||
| 1406 | K | 96 | Very high | 95 | Very high | 35 Ų | 35 | 24.7 Ų | 24.7 | 15% | 0.152 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 150.7 | 176.6 | -53.6 | -170.9 | -161.1 | -65.3 | 0 | 111.6 | Y1266 D1267 D1269 I1418 | Y1266-K1406 WeakPolarHBondContact O-CA 3.44Å; Y1266-K1406 WeakPolarHBondContact O-CB 3.35Å; D1267-K1406 IonicContact OD1-NZ 2.81Å; D1267-K1406 PolarHBondContact OD1-NZ 3.25Å; D1267-K1406 IonicContact OD2-NZ 3.94Å; D1267-K1406 PolarHBondContact OD2-NZ 3.21Å; D1269-K1406 IonicContact OD2-NZ 3.73Å; D1269-K1406 PolarHBondContact OD2-NZ 3.26Å; K1406-I1418 HydrophobicContact CB-CB 4.4Å; K1406-I1418 PolarHBondContact N-O 3.49Å; K1406-I1418 VanDerWaalsContact N-O 3.1Å; K1406-I1418 PolarHBondContact O-N 2.72Å |
| 1407 | A | 97.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 137.3 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | V1265 Y1266 F1395 L1404 L1417 | V1265-A1407 HydrophobicContact CG2-CB 3.91Å; V1265-A1407 PolarHBondContact N-O 3.35Å; Y1266-A1407 PolarHBondContact N-O 2.85Å; Y1266-A1407 PolarHBondContact O-N 2.65Å; F1395-A1407 HydrophobicContact CD1-CB 4.16Å; F1395-A1407 HydrophobicContact CD2-CB 3.6Å; F1395-A1407 HydrophobicContact CE1-CB 4.16Å; F1395-A1407 HydrophobicContact CE2-CB 3.61Å; F1395-A1407 HydrophobicContact CG-CB 3.9Å; F1395-A1407 HydrophobicContact CZ-CB 3.9Å; L1404-A1407 HydrophobicContact CD2-CB 4.46Å; A1407-L1417 HydrophobicContact CB-CD2 3.62Å |
| 1408 | I | 95 | Very high | 95.1 | Very high | 16 Ų | 16 | 25.6 Ų | 25.6 | 8% | 0.082 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 116.8 | -175.3 | -48.5 | -178.4 | 0 | 0 | 0 | 109.3 | L1260 R1263 I1264 V1410 Y1415 D1416 I1418 | L1260-I1408 HydrophobicContact CD1-CG2 4Å; L1260-I1408 HydrophobicContact CG-CG2 4.11Å; R1263-I1408 HydrophobicContact CB-CG2 4.23Å; R1263-I1408 CarbonylContact O-C 3.6Å; R1263-I1408 WeakPolarHBondContact O-CA 3.28Å; I1264-I1408 HydrophobicContact CG1-CG1 4.25Å; I1408-V1410 HydrophobicContact CG2-CG1 4.17Å; I1408-V1410 PolarHBondContact O-N 3.19Å; I1408-Y1415 CarbonylContact O-C 3.56Å; I1408-Y1415 VanDerWaalsContact O-CA 3.3Å; I1408-Y1415 WeakPolarHBondContact O-CA 3.45Å; I1408-D1416 HydrophobicContact CB-CB 4.4Å; I1408-D1416 PolarHBondContact N-O 3.05Å; I1408-D1416 PolarHBondContact O-N 3.16Å; I1408-I1418 HydrophobicContact CD1-CD1 4.27Å |
| 1409 | Q | 94.8 | Very high | 95.2 | Very high | 32 Ų | 32 | 24.2 Ų | 24.2 | 15% | 0.15 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 87.4 | 179.1 | -170.9 | -175.1 | 31.5 | 0 | 0 | 110.5 | R1263 V1265 G1391 R1411 Q1412 E1414 Y1415 | R1263-Q1409 WeakPolarHBondContact CD-O 3.46Å; R1263-Q1409 PolarHBondContact O-N 2.88Å; V1265-Q1409 HydrophobicContact CG1-CB 4.14Å; G1391-Q1409 PolarHBondContact O-NE2 2.84Å; Q1409-R1411 VanDerWaalsContact CG-O 3.22Å; Q1409-R1411 WeakPolarHBondContact CG-O 3.28Å; Q1409-Q1412 PolarHBondContact NE2-O 2.94Å; Q1409-E1414 CarbonylContact C-O 3.56Å; Q1409-Y1415 HydrophobicContact CB-CD1 4.06Å; Q1409-Y1415 HydrophobicContact CB-CE1 3.63Å; Q1409-Y1415 HydrophobicContact CG-CD1 4.42Å; Q1409-Y1415 HydrophobicContact CG-CE1 3.74Å; Q1409-Y1415 HydrophobicContact CG-CE2 4.48Å; Q1409-Y1415 PolarHBondContact NE2-OH 3.31Å |
| 1410 | V | 90.1 | Very high | 95.1 | Very high | 4 Ų | 4 | 25.9 Ų | 25.9 | 2% | 0.024 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | -25.1 | -176.2 | -64.7 | 0 | 0 | 0 | 0 | 113.2 | R1253 L1260 R1263 I1408 E1414 D1416 | R1253-V1410 PolarHBondContact NH1-O 3.08Å; L1260-V1410 HydrophobicContact CD1-CG1 4.14Å; R1263-V1410 PolarHBondContact NH1-O 3.02Å; I1408-V1410 HydrophobicContact CG2-CG1 4.17Å; I1408-V1410 PolarHBondContact O-N 3.19Å; V1410-E1414 HydrophobicContact CG2-CB 3.92Å; V1410-E1414 HydrophobicContact CG2-CG 3.51Å; V1410-E1414 WeakPolarHBondContact CG2-O 3.43Å; V1410-E1414 PolarHBondContact N-O 3.02Å; V1410-D1416 HydrophobicContact CG1-CB 3.88Å |
| 1411 | R | 88.4 | Confident | 95 | Very high | 42 Ų | 42 | 26.4 Ų | 26.4 | 16% | 0.158 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 166.6 | 165.4 | -53.9 | -178.8 | 177.2 | 167.5 | -2 | 108.5 | E1246 D1250 Q1409 Y1413 E1414 | E1246-R1411 VanDerWaalsContact CD-CZ 3.5Å; E1246-R1411 IonicContact OE1-CZ 3.8Å; E1246-R1411 IonicContact OE1-NE 2.93Å; E1246-R1411 IonicContact OE1-NH1 3.99Å; E1246-R1411 PolarHBondContact OE1-NH1 3.29Å; E1246-R1411 IonicContact OE2-CZ 3.5Å; E1246-R1411 IonicContact OE2-NH1 3.42Å; E1246-R1411 PolarHBondContact OE2-NH1 2.95Å; E1246-R1411 IonicContact OE2-NH2 2.87Å; D1250-R1411 IonicContact OD1-CZ 2.68Å; D1250-R1411 IonicContact OD1-NE 3.93Å; D1250-R1411 IonicContact OD1-NH2 3.29Å; D1250-R1411 PolarHBondContact OD1-NH2 3.14Å; D1250-R1411 IonicContact OD2-NH2 3.68Å; Q1409-R1411 VanDerWaalsContact CG-O 3.22Å; Q1409-R1411 WeakPolarHBondContact CG-O 3.28Å; R1411-Y1413 PolarHBondContact O-N 3.24Å; R1411-E1414 HydrophobicContact CB-CB 3.87Å; R1411-E1414 VanDerWaalsContact CD-OE2 3.27Å; R1411-E1414 WeakPolarHBondContact CD-OE2 3.39Å; R1411-E1414 HydrophobicContact CG-CB 4.32Å; R1411-E1414 IonicContact CZ-OE2 3.16Å; R1411-E1414 PolarHBondContact N-O 3.24Å; R1411-E1414 IonicContact NE-OE2 3.48Å; R1411-E1414 PolarHBondContact O-N 2.97Å; R1411-E1414 VanDerWaalsContact O-O 3.05Å |
| 1412 | Q | 88.5 | Confident | 94.9 | Very high | 124 Ų | 124 | 26.4 Ų | 26.4 | 58% | 0.579 | 12% | 0.123 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -40.8 | -49.3 | -178.3 | -173.7 | 176.3 | -7.2 | 0 | 0 | 113.8 | Q1409 | Q1409-Q1412 PolarHBondContact NE2-O 2.94Š|
| 1413 | Y | 94.1 | Very high | 94.7 | Very high | 60 Ų | 60 | 27.1 Ų | 27.1 | 24% | 0.235 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | 28.2 | 178.9 | -53.7 | -58.5 | 0 | 0 | 0 | 113.3 | R1411 E1440 I1443 Y1445 R1446 | R1411-Y1413 PolarHBondContact O-N 3.24Å; Y1413-E1440 WeakPolarHBondContact CE1-OE1 3.23Å; Y1413-E1440 VanDerWaalsContact CZ-OE1 3.29Å; Y1413-E1440 PolarHBondContact OH-OE1 3.18Å; Y1413-I1443 HydrophobicContact CD1-CG2 3.69Å; Y1413-I1443 HydrophobicContact CD2-CG2 3.8Å; Y1413-I1443 HydrophobicContact CE1-CD1 4.05Å; Y1413-I1443 HydrophobicContact CE1-CG2 3.8Å; Y1413-I1443 HydrophobicContact CE2-CD1 4.16Å; Y1413-I1443 HydrophobicContact CE2-CG2 3.92Å; Y1413-I1443 HydrophobicContact CG-CG2 3.68Å; Y1413-I1443 WeakPolarHBondContact OH-CD1 3.49Å; Y1413-Y1445 HydrophobicContact CD1-CD1 4.07Å; Y1413-Y1445 AromaticContact CD1-CE1 3.53Å; Y1413-Y1445 HydrophobicContact CD1-CE1 3.53Å; Y1413-Y1445 HydrophobicContact CD1-CE2 4.46Å; Y1413-Y1445 AromaticContact CD1-CZ 3.75Å; Y1413-Y1445 HydrophobicContact CE1-CE1 4.2Å; Y1413-Y1445 WeakPolarHBondContact O-CA 3.19Å; Y1413-R1446 PolarHBondContact O-N 2.98Å |
| 1414 | E | 95.3 | Very high | 94.4 | Very high | 19 Ų | 19 | 32.6 Ų | 32.6 | 9% | 0.089 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 128.9 | 177 | -172.8 | 178.9 | -157 | 0 | 0 | 112.5 | Q1409 V1410 R1411 R1446 N1448 | Q1409-E1414 CarbonylContact C-O 3.56Å; V1410-E1414 HydrophobicContact CG2-CB 3.92Å; V1410-E1414 HydrophobicContact CG2-CG 3.51Å; V1410-E1414 WeakPolarHBondContact CG2-O 3.43Å; V1410-E1414 PolarHBondContact N-O 3.02Å; R1411-E1414 HydrophobicContact CB-CB 3.87Å; R1411-E1414 VanDerWaalsContact CD-OE2 3.27Å; R1411-E1414 WeakPolarHBondContact CD-OE2 3.39Å; R1411-E1414 HydrophobicContact CG-CB 4.32Å; R1411-E1414 IonicContact CZ-OE2 3.16Å; R1411-E1414 PolarHBondContact N-O 3.24Å; R1411-E1414 IonicContact NE-OE2 3.48Å; R1411-E1414 PolarHBondContact O-N 2.97Å; R1411-E1414 VanDerWaalsContact O-O 3.05Å; E1414-R1446 CarbonylContact C-O 3.44Å; E1414-R1446 VanDerWaalsContact CA-O 3.3Å; E1414-R1446 WeakPolarHBondContact CA-O 3.03Å; E1414-R1446 HydrophobicContact CB-CB 4.46Å; E1414-R1446 VanDerWaalsContact CD-NE 3.3Å; E1414-R1446 HydrophobicContact CG-CB 4.14Å; E1414-R1446 HydrophobicContact CG-CG 4.3Å; E1414-R1446 IonicContact OE1-CZ 3.85Å; E1414-R1446 IonicContact OE1-NE 3.75Å; E1414-R1446 PolarHBondContact OE1-NE 3.18Å; E1414-R1446 IonicContact OE1-NH2 3.26Å; E1414-R1446 PolarHBondContact OE1-NH2 3.03Å; E1414-R1446 IonicContact OE2-CZ 2.8Å; E1414-R1446 IonicContact OE2-NE 3.85Å; E1414-R1446 IonicContact OE2-NH2 3.25Å; E1414-R1446 PolarHBondContact OE2-NH2 2.79Å; E1414-N1448 PolarHBondContact OE1-ND2 3.43Å |
| 1415 | Y | 97.4 | Very high | 94 | Very high | 1 Ų | 1 | 34 Ų | 34 | 0% | 0.004 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 119.8 | -175.2 | -64.6 | -96.5 | 0 | 0 | 0 | 111.7 | V1265 H1392 L1393 F1395 I1408 Q1409 Y1445 R1446 F1447 N1448 | V1265-Y1415 HydrophobicContact CG2-CD1 4.21Å; V1265-Y1415 HydrophobicContact CG2-CE1 4.03Å; H1392-Y1415 WeakPolarHBondContact CA-OH 3.33Å; L1393-Y1415 HydrophobicContact CB-CE1 4.12Å; L1393-Y1415 HydrophobicContact CB-CE2 4.36Å; L1393-Y1415 HydrophobicContact CD1-CD2 4.06Å; L1393-Y1415 HydrophobicContact CD1-CE2 3.73Å; L1393-Y1415 HydrophobicContact CG-CE2 3.91Å; L1393-Y1415 PolarHBondContact N-OH 3.08Å; F1395-Y1415 AromaticContact CE2-CD1 3.74Å; F1395-Y1415 HydrophobicContact CE2-CD1 3.74Å; F1395-Y1415 AromaticContact CE2-CE1 3.92Å; F1395-Y1415 HydrophobicContact CE2-CE1 3.92Å; F1395-Y1415 HydrophobicContact CE2-CG 4.46Å; F1395-Y1415 AromaticContact CZ-CD1 3.71Å; F1395-Y1415 HydrophobicContact CZ-CD1 3.71Å; F1395-Y1415 HydrophobicContact CZ-CE1 4.21Å; F1395-Y1415 AromaticContact CZ-CG 3.98Å; F1395-Y1415 HydrophobicContact CZ-CG 3.98Å; I1408-Y1415 CarbonylContact O-C 3.56Å; I1408-Y1415 VanDerWaalsContact O-CA 3.3Å; I1408-Y1415 WeakPolarHBondContact O-CA 3.45Å; Q1409-Y1415 HydrophobicContact CB-CD1 4.06Å; Q1409-Y1415 HydrophobicContact CB-CE1 3.63Å; Q1409-Y1415 HydrophobicContact CG-CD1 4.42Å; Q1409-Y1415 HydrophobicContact CG-CE1 3.74Å; Q1409-Y1415 HydrophobicContact CG-CE2 4.48Å; Q1409-Y1415 PolarHBondContact NE2-OH 3.31Å; Y1415-Y1445 HydrophobicContact CE2-CD1 4Å; Y1415-Y1445 HydrophobicContact CE2-CE1 4.43Å; Y1415-R1446 PolarHBondContact N-O 2.54Å; Y1415-F1447 HydrophobicContact CD2-CE1 4.29Å; Y1415-F1447 HydrophobicContact CG-CE1 4.49Å; Y1415-N1448 PolarHBondContact O-N 3.13Å |
| 1416 | D | 96.1 | Very high | 93.4 | Very high | 28 Ų | 28 | 35.6 Ų | 35.6 | 15% | 0.15 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 118.6 | 165.2 | -82.9 | 9.1 | 0 | 0 | 0 | 108.4 | I1408 V1410 N1448 I1450 | I1408-D1416 HydrophobicContact CB-CB 4.4Å; I1408-D1416 PolarHBondContact N-O 3.05Å; I1408-D1416 PolarHBondContact O-N 3.16Å; V1410-D1416 HydrophobicContact CG1-CB 3.88Å; D1416-N1448 WeakPolarHBondContact OD1-CB 3.32Å; D1416-N1448 PolarHBondContact OD1-ND2 2.83Å; D1416-I1450 HydrophobicContact CB-CD1 4.26Å; D1416-I1450 HydrophobicContact CB-CG2 4.28Å |
| 1417 | L | 97.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 138.6 | -178.1 | -56.3 | -175.6 | 0 | 0 | 0 | 110.5 | F1395 L1404 A1407 F1434 F1447 N1448 I1449 I1450 | F1395-L1417 HydrophobicContact CE1-CD2 3.89Å; F1395-L1417 HydrophobicContact CZ-CD2 4.18Å; L1404-L1417 HydrophobicContact CD1-CB 4.07Å; L1404-L1417 HydrophobicContact CD1-CD2 4.3Å; A1407-L1417 HydrophobicContact CB-CD2 3.62Å; L1417-F1434 HydrophobicContact CD1-CE1 4.21Å; L1417-F1434 HydrophobicContact CD1-CE2 4.2Å; L1417-F1434 HydrophobicContact CD1-CZ 3.54Å; L1417-F1447 HydrophobicContact CD1-CB 4.13Å; L1417-F1447 HydrophobicContact CD1-CD1 3.97Å; L1417-F1447 HydrophobicContact CD1-CG 4.44Å; L1417-F1447 HydrophobicContact CG-CD1 4.44Å; L1417-N1448 PolarHBondContact N-O 2.94Å; L1417-I1449 HydrophobicContact CB-CG1 4.27Å; L1417-I1449 HydrophobicContact CD1-CG1 4.29Å; L1417-I1450 WeakPolarHBondContact O-CG1 3.42Å; L1417-I1450 PolarHBondContact O-N 2.82Å |
| 1418 | I | 96.6 | Very high | 92.4 | Very high | 41 Ų | 41 | 37.6 Ų | 37.6 | 21% | 0.21 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 116.8 | 176.7 | -58.6 | 177.3 | 0 | 0 | 0 | 107.7 | R1405 K1406 I1408 I1450 | R1405-I1418 WeakPolarHBondContact CA-O 3.45Å; R1405-I1418 VanDerWaalsContact CB-O 3.25Å; R1405-I1418 WeakPolarHBondContact CB-O 3.33Å; R1405-I1418 PolarHBondContact N-O 2.81Å; K1406-I1418 HydrophobicContact CB-CB 4.4Å; K1406-I1418 PolarHBondContact N-O 3.49Å; K1406-I1418 VanDerWaalsContact N-O 3.1Å; K1406-I1418 PolarHBondContact O-N 2.72Å; I1408-I1418 HydrophobicContact CD1-CD1 4.27Å; I1418-I1450 HydrophobicContact CD1-CD1 4.38Å; I1418-I1450 HydrophobicContact CG1-CD1 4.07Å; I1418-I1450 HydrophobicContact CG1-CG1 4.03Å |
| 1419 | L | 96.9 | Very high | 92.3 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | P | Polyproline II helix | trans | -81 | 160.4 | 174.3 | -56.7 | 179.9 | 0 | 0 | 0 | 111.4 | L1404 I1429 F1432 I1449 N1451 | L1404-L1419 HydrophobicContact CD1-CD2 4.26Å; L1419-I1429 HydrophobicContact CB-CG2 3.77Å; L1419-I1429 HydrophobicContact CD1-CG2 4.14Å; L1419-I1429 HydrophobicContact CG-CG2 4.47Å; L1419-F1432 HydrophobicContact CD1-CB 3.92Å; L1419-F1432 HydrophobicContact CD1-CD1 4.3Å; L1419-F1432 HydrophobicContact CD2-CB 3.48Å; L1419-F1432 VanDerWaalsContact CD2-CB 3.48Å; L1419-F1432 HydrophobicContact CG-CB 4.34Å; L1419-I1449 HydrophobicContact CD1-CG2 3.65Å; L1419-I1449 HydrophobicContact CD2-CG2 4.43Å; L1419-I1449 HydrophobicContact CG-CG2 3.69Å; L1419-N1451 PolarHBondContact N-ND2 2.85Å; L1419-N1451 PolarHBondContact N-OD1 2.91Å; L1419-N1451 PolarHBondContact O-ND2 3.28Å |
| 1420 | N | 93.9 | Very high | 92.2 | Very high | 36 Ų | 36 | 37 Ų | 37 | 19% | 0.193 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -84.4 | 132.3 | 171.7 | -151.3 | 30.5 | 0 | 0 | 0 | 109.6 | N1403 R1405 | N1403-N1420 PolarHBondContact ND2-O 3.33Å; N1403-N1420 VanDerWaalsContact ND2-O 3.08Å; N1403-N1420 WeakPolarHBondContact OD1-CB 3.48Å; N1403-N1420 PolarHBondContact OD1-N 3.37Å; R1405-N1420 HydrophobicContact CB-CB 4.23Å |
| 1421 | P | 93.5 | Very high | 92.5 | Very high | 26 Ų | 26 | 37 Ų | 37 | 17% | 0.169 | 19% | 0.188 | C | C | . | . | P | Polyproline II helix | trans | -65.5 | 159.6 | 165.5 | 30.4 | -35.6 | 0 | 0 | 0 | 110.5 | I1423 S1427 I1429 | P1421-I1423 PolarHBondContact O-N 3.48Å; P1421-S1427 VanDerWaalsContact CB-O 3.26Å; P1421-S1427 WeakPolarHBondContact CB-O 3.39Å; P1421-I1429 HydrophobicContact CB-CD1 4.25Å; P1421-I1429 HydrophobicContact CB-CG1 3.8Å |
| 1422 | D | 94.4 | Very high | 92.9 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.011 | 18% | 0.181 | C | C | . | . | P | Polyproline II helix | trans | -53.9 | 138.4 | 178.5 | -78.4 | 10.8 | 0 | 0 | 0 | 111.5 | N1424 T1425 S1427 N1652 H1653 R1654 C1655 | D1422-N1424 PolarHBondContact O-N 3.39Å; D1422-T1425 HydrophobicContact CB-CG2 3.72Å; D1422-T1425 WeakPolarHBondContact O-CA 3.46Å; D1422-T1425 WeakPolarHBondContact O-CB 3.33Å; D1422-T1425 WeakPolarHBondContact O-CG2 3.2Å; D1422-T1425 PolarHBondContact O-N 3.43Å; D1422-T1425 PolarHBondContact O-OG1 2.9Å; D1422-S1427 PolarHBondContact N-O 2.85Å; D1422-N1652 WeakPolarHBondContact CA-OD1 3.43Å; D1422-N1652 HydrophobicContact CB-CB 4.33Å; D1422-N1652 WeakPolarHBondContact OD1-CA 3.33Å; D1422-H1653 PolarHBondContact OD1-N 2.88Å; D1422-R1654 WeakPolarHBondContact OD2-CA 3.24Å; D1422-R1654 PolarHBondContact OD2-N 2.74Å; D1422-C1655 HydrophobicContact CB-CB 4.23Å; D1422-C1655 PolarHBondContact OD2-N 2.98Å |
| 1423 | I | 91.5 | Very high | 93.4 | Very high | 20 Ų | 20 | 29.3 Ų | 29.3 | 10% | 0.103 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 136.3 | -176 | -61.9 | -169.9 | 0 | 0 | 0 | 110.9 | L1115 P1421 T1425 V1650 N1652 M1657 | L1115-I1423 HydrophobicContact CD2-CD1 4.27Å; L1115-I1423 HydrophobicContact CD2-CG2 4.01Å; P1421-I1423 PolarHBondContact O-N 3.48Å; I1423-T1425 PolarHBondContact O-N 2.9Å; I1423-V1650 HydrophobicContact CD1-CB 3.73Å; I1423-V1650 HydrophobicContact CD1-CG1 4.11Å; I1423-V1650 HydrophobicContact CD1-CG2 3.68Å; I1423-V1650 HydrophobicContact CG1-CG2 4.16Å; I1423-N1652 PolarHBondContact N-OD1 3.28Å; I1423-M1657 HydrophobicContact CB-CE 4.32Å; I1423-M1657 HydrophobicContact CB-SD 4.42Å; I1423-M1657 HydrophobicContact CD1-CE 4.17Å; I1423-M1657 HydrophobicContact CG2-CE 3.79Å; I1423-M1657 HydrophobicContact CG2-SD 4.46Å |
| 1424 | N | 91.7 | Very high | 93.6 | Very high | 124 Ų | 124 | 26.4 Ų | 26.4 | 66% | 0.663 | 14% | 0.142 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.4 | 10.7 | -171.9 | -64.3 | -39 | 0 | 0 | 0 | 116 | D1422 M1657 | D1422-N1424 PolarHBondContact O-N 3.39Å; N1424-M1657 PolarHBondContact ND2-O 2.87Å |
| 1425 | T | 87.8 | Confident | 93.7 | Very high | 28 Ų | 28 | 27 Ų | 27 | 17% | 0.172 | 14% | 0.144 | C | C | . | . | trans | -109.6 | -173.2 | 172.3 | 85.8 | 0 | 0 | 0 | 0 | 112.4 | D1422 I1423 S1427 Y1428 C1655 | D1422-T1425 HydrophobicContact CB-CG2 3.72Å; D1422-T1425 WeakPolarHBondContact O-CA 3.46Å; D1422-T1425 WeakPolarHBondContact O-CB 3.33Å; D1422-T1425 WeakPolarHBondContact O-CG2 3.2Å; D1422-T1425 PolarHBondContact O-N 3.43Å; D1422-T1425 PolarHBondContact O-OG1 2.9Å; I1423-T1425 PolarHBondContact O-N 2.9Å; T1425-S1427 PolarHBondContact OG1-N 3.04Å; T1425-S1427 PolarHBondContact OG1-O 2.98Å; T1425-Y1428 HydrophobicContact CG2-CD2 4.03Å; T1425-Y1428 HydrophobicContact CG2-CE2 4.34Å; T1425-C1655 HydrophobicContact CG2-CB 4.02Å | ||
| 1426 | T | 83 | Confident | 93.7 | Very high | 107 Ų | 107 | 27 Ų | 27 | 66% | 0.656 | 14% | 0.144 | S | C | * | . | S | Bend | trans | -131.2 | 19.4 | 167.6 | 54.9 | 0 | 0 | 0 | 0 | 112.3 | ||
| 1427 | S | 85.6 | Confident | 93.7 | Very high | 18 Ų | 18 | 26 Ų | 26 | 13% | 0.126 | 14% | 0.139 | C | C | . | . | trans | -150.7 | -162.5 | -163.9 | 52.4 | 0 | 0 | 0 | 0 | 111.2 | P1421 D1422 T1425 I1429 E1453 | P1421-S1427 VanDerWaalsContact CB-O 3.26Å; P1421-S1427 WeakPolarHBondContact CB-O 3.39Å; D1422-S1427 PolarHBondContact N-O 2.85Å; T1425-S1427 PolarHBondContact OG1-N 3.04Å; T1425-S1427 PolarHBondContact OG1-O 2.98Å; S1427-I1429 VanDerWaalsContact C-N 3.32Å; S1427-I1429 PolarHBondContact O-N 3.03Å; S1427-E1453 VanDerWaalsContact C-OE2 3.3Å; S1427-E1453 WeakPolarHBondContact CA-OE2 3.34Å; S1427-E1453 WeakPolarHBondContact CB-OE2 3.49Å | ||
| 1428 | Y | 88.2 | Confident | 93.5 | Very high | 60 Ų | 60 | 26.4 Ų | 26.4 | 24% | 0.235 | 14% | 0.141 | C | C | . | . | trans | 64.7 | 30.8 | 174.9 | -54.5 | -69.3 | 0 | 0 | 0 | 114.4 | T1425 Q1430 E1453 R1654 C1655 | T1425-Y1428 HydrophobicContact CG2-CD2 4.03Å; T1425-Y1428 HydrophobicContact CG2-CE2 4.34Å; Y1428-Q1430 PolarHBondContact O-N 2.92Å; Y1428-Q1430 VanDerWaalsContact O-N 3.17Å; Y1428-E1453 PolarHBondContact N-OE2 3.03Å; Y1428-R1654 HydrophobicContact CD1-CB 3.75Å; Y1428-R1654 HydrophobicContact CD1-CG 3.83Å; Y1428-R1654 HydrophobicContact CE1-CB 4.36Å; Y1428-R1654 HydrophobicContact CE1-CG 3.96Å; Y1428-R1654 HydrophobicContact CG-CB 3.9Å; Y1428-R1654 HydrophobicContact CG-CG 4.4Å; Y1428-C1655 VanDerWaalsContact CE2-SG 3.54Å | ||
| 1429 | I | 92.2 | Very high | 93.4 | Very high | 11 Ų | 11 | 24.5 Ų | 24.5 | 6% | 0.056 | 13% | 0.131 | C | C | . | . | trans | -79.8 | 100 | -176.5 | -55.6 | 160.7 | 0 | 0 | 0 | 110.4 | L1419 P1421 S1427 N1451 E1453 Y1509 | L1419-I1429 HydrophobicContact CB-CG2 3.77Å; L1419-I1429 HydrophobicContact CD1-CG2 4.14Å; L1419-I1429 HydrophobicContact CG-CG2 4.47Å; P1421-I1429 HydrophobicContact CB-CD1 4.25Å; P1421-I1429 HydrophobicContact CB-CG1 3.8Å; S1427-I1429 VanDerWaalsContact C-N 3.32Å; S1427-I1429 PolarHBondContact O-N 3.03Å; I1429-N1451 WeakPolarHBondContact CD1-O 3.42Å; I1429-N1451 WeakPolarHBondContact CG2-O 3.47Å; I1429-E1453 HydrophobicContact CB-CG 4.31Å; I1429-E1453 HydrophobicContact CD1-CG 4.16Å; I1429-Y1509 HydrophobicContact CD1-CE1 4.01Å | ||
| 1430 | Q | 93 | Very high | 93.3 | Very high | 25 Ų | 25 | 27.3 Ų | 27.3 | 12% | 0.117 | 15% | 0.145 | C | C | . | . | trans | -149.1 | -43.7 | 177.4 | -174.7 | 177.1 | -41 | 0 | 0 | 114.7 | Y1428 Y1529 H1653 | Y1428-Q1430 PolarHBondContact O-N 2.92Å; Y1428-Q1430 VanDerWaalsContact O-N 3.17Å; Q1430-Y1529 HydrophobicContact CG-CE2 4.21Å; Q1430-Y1529 PolarHBondContact NE2-OH 3.25Å; Q1430-Y1529 VanDerWaalsContact NE2-OH 3.09Å; Q1430-H1653 VanDerWaalsContact CD-CE1 3.44Å; Q1430-H1653 PolarHBondContact NE2-CE1 2.89Å; Q1430-H1653 VanDerWaalsContact NE2-CE1 3.32Å; Q1430-H1653 PolarHBondContact OE1-NE2 2.94Å | ||
| 1431 | W | 96.2 | Very high | 93.2 | Very high | 4 Ų | 4 | 27.3 Ų | 27.3 | 2% | 0.015 | 15% | 0.147 | C | C | . | . | trans | -70.1 | 138.4 | 179.4 | 179.2 | -98.8 | 0 | 0 | 0 | 111.5 | C1401 Y1529 H1530 H1653 | C1401-W1431 PolarHBondContact O-NE1 3.05Å; W1431-Y1529 HydrophobicContact CE3-CD1 4.21Å; W1431-H1530 WeakPolarHBondContact CH2-O 3.45Å; W1431-H1530 HydrophobicContact CZ3-CB 4.28Å; W1431-H1653 HydrophobicContact CB-CB 3.9Å | ||
| 1432 | F | 97.6 | Very high | 92.9 | Very high | 3 Ų | 3 | 30.2 Ų | 30.2 | 1% | 0.013 | 16% | 0.161 | C | C | . | . | trans | -141.7 | 142.5 | 169.1 | 64.6 | -100.5 | 0 | 0 | 0 | 110.8 | L1419 F1434 I1449 F1459 P1465 F1514 A1528 Y1529 | L1419-F1432 HydrophobicContact CD1-CB 3.92Å; L1419-F1432 HydrophobicContact CD1-CD1 4.3Å; L1419-F1432 HydrophobicContact CD2-CB 3.48Å; L1419-F1432 VanDerWaalsContact CD2-CB 3.48Å; L1419-F1432 HydrophobicContact CG-CB 4.34Å; F1432-F1434 HydrophobicContact CB-CD1 4.38Å; F1432-F1434 HydrophobicContact CB-CE1 4.24Å; F1432-F1434 HydrophobicContact CD2-CD1 4.31Å; F1432-F1434 AromaticContact CD2-CE1 3.75Å; F1432-F1434 HydrophobicContact CD2-CE1 3.75Å; F1432-F1434 HydrophobicContact CE2-CE1 4.49Å; F1432-F1434 HydrophobicContact CG-CE1 4.29Å; F1432-I1449 HydrophobicContact CD1-CD1 3.49Å; F1432-I1449 VanDerWaalsContact CD1-CD1 3.49Å; F1432-I1449 HydrophobicContact CE1-CD1 3.46Å; F1432-I1449 VanDerWaalsContact CE1-CD1 3.46Å; F1432-I1449 HydrophobicContact CG-CD1 4.08Å; F1432-I1449 HydrophobicContact CZ-CD1 4.05Å; F1432-F1459 HydrophobicContact CE1-CZ 4.17Å; F1432-F1459 HydrophobicContact CZ-CZ 4.33Å; F1432-P1465 HydrophobicContact CZ-CB 4.14Å; F1432-F1514 HydrophobicContact CZ-CE1 4.35Å; F1432-F1514 HydrophobicContact CZ-CZ 4.42Å; F1432-A1528 WeakPolarHBondContact O-CA 3.38Å; F1432-Y1529 HydrophobicContact CD1-CD2 4.15Å; F1432-Y1529 HydrophobicContact CD1-CG 4.44Å; F1432-Y1529 AromaticContact CE1-CD2 3.75Å; F1432-Y1529 HydrophobicContact CE1-CD2 3.75Å; F1432-Y1529 HydrophobicContact CE1-CG 4.31Å; F1432-Y1529 HydrophobicContact CZ-CD2 4.47Å; F1432-Y1529 PolarHBondContact O-N 3.02Å | ||
| 1433 | Y | 98 | Very high | 92.8 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 120.4 | 171.2 | -176.9 | -160.3 | 0 | 0 | 0 | 108.1 | A1122 D1125 F1399 C1401 G1402 N1403 W1480 Y1526 L1527 A1528 P1532 | A1122-Y1433 HydrophobicContact CB-CE1 4.43Å; A1122-Y1433 WeakPolarHBondContact CB-OH 3.46Å; D1125-Y1433 VanDerWaalsContact OD2-CE1 3.25Å; D1125-Y1433 WeakPolarHBondContact OD2-CE1 3.15Å; D1125-Y1433 VanDerWaalsContact OD2-CZ 3.3Å; D1125-Y1433 PolarHBondContact OD2-OH 2.93Å; F1399-Y1433 HydrophobicContact CD2-CD1 4.48Å; F1399-Y1433 HydrophobicContact CD2-CE1 4.31Å; F1399-Y1433 AromaticContact CE2-CD1 3.81Å; F1399-Y1433 HydrophobicContact CE2-CD1 3.81Å; F1399-Y1433 HydrophobicContact CE2-CD2 4.16Å; F1399-Y1433 AromaticContact CE2-CE1 3.79Å; F1399-Y1433 HydrophobicContact CE2-CE1 3.79Å; F1399-Y1433 HydrophobicContact CE2-CE2 4.11Å; F1399-Y1433 HydrophobicContact CE2-CG 4.01Å; F1399-Y1433 AromaticContact CE2-CZ 3.95Å; F1399-Y1433 HydrophobicContact CZ-CE2 4.49Å; C1401-Y1433 HydrophobicContact CB-CD1 3.87Å; C1401-Y1433 HydrophobicContact CB-CE1 4.37Å; G1402-Y1433 CarbonylContact C-O 3.5Å; G1402-Y1433 WeakPolarHBondContact CA-O 3.24Å; N1403-Y1433 PolarHBondContact N-O 2.94Å; N1403-Y1433 PolarHBondContact O-N 2.96Å; Y1433-W1480 HydrophobicContact CD2-CH2 4.43Å; Y1433-W1480 AromaticContact CE2-CH2 3.73Å; Y1433-W1480 HydrophobicContact CE2-CH2 3.73Å; Y1433-W1480 HydrophobicContact CE2-CZ2 4.2Å; Y1433-Y1526 AromaticContact CE2-CD1 3.76Å; Y1433-Y1526 HydrophobicContact CE2-CD1 3.76Å; Y1433-Y1526 HydrophobicContact CE2-CG 4.43Å; Y1433-L1527 VanDerWaalsContact CA-O 3.31Å; Y1433-L1527 WeakPolarHBondContact CA-O 3.34Å; Y1433-A1528 HydrophobicContact CD2-CB 3.98Å; Y1433-A1528 HydrophobicContact CG-CB 4.47Å; Y1433-P1532 HydrophobicContact CD1-CB 4.42Å; Y1433-P1532 HydrophobicContact CD1-CG 4.06Å; Y1433-P1532 HydrophobicContact CD2-CG 4.41Å; Y1433-P1532 HydrophobicContact CE1-CB 3.98Å; Y1433-P1532 HydrophobicContact CE1-CG 3.72Å; Y1433-P1532 HydrophobicContact CE2-CG 4.12Å; Y1433-P1532 HydrophobicContact CG-CG 4.39Å |
| 1434 | F | 98.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 151 | -178.4 | 55.2 | -89.8 | 0 | 0 | 0 | 112.3 | F1395 E1396 L1404 L1417 F1432 I1436 Y1526 L1527 | F1395-F1434 AromaticContact CD1-CD2 3.91Å; F1395-F1434 HydrophobicContact CD1-CD2 3.91Å; F1395-F1434 AromaticContact CD1-CE2 3.99Å; F1395-F1434 HydrophobicContact CD1-CE2 3.99Å; F1395-F1434 HydrophobicContact CE1-CD2 4.45Å; F1395-F1434 HydrophobicContact CE1-CE2 4.06Å; E1396-F1434 CarbonylContact O-C 3.6Å; E1396-F1434 VanDerWaalsContact O-CA 3.32Å; E1396-F1434 WeakPolarHBondContact O-CA 3.45Å; E1396-F1434 WeakPolarHBondContact O-CB 3.25Å; L1404-F1434 HydrophobicContact CB-CB 3.87Å; L1404-F1434 HydrophobicContact CB-CD1 4.03Å; L1404-F1434 HydrophobicContact CB-CG 4.08Å; L1404-F1434 HydrophobicContact CD2-CB 4.09Å; L1404-F1434 HydrophobicContact CD2-CD1 4.33Å; L1404-F1434 HydrophobicContact CD2-CD2 4Å; L1404-F1434 HydrophobicContact CD2-CE2 4.5Å; L1404-F1434 HydrophobicContact CD2-CG 3.9Å; L1417-F1434 HydrophobicContact CD1-CE1 4.21Å; L1417-F1434 HydrophobicContact CD1-CE2 4.2Å; L1417-F1434 HydrophobicContact CD1-CZ 3.54Å; F1432-F1434 HydrophobicContact CB-CD1 4.38Å; F1432-F1434 HydrophobicContact CB-CE1 4.24Å; F1432-F1434 HydrophobicContact CD2-CD1 4.31Å; F1432-F1434 AromaticContact CD2-CE1 3.75Å; F1432-F1434 HydrophobicContact CD2-CE1 3.75Å; F1432-F1434 HydrophobicContact CE2-CE1 4.49Å; F1432-F1434 HydrophobicContact CG-CE1 4.29Å; F1434-I1436 HydrophobicContact CD2-CG1 4.01Å; F1434-I1436 HydrophobicContact CE2-CD1 3.98Å; F1434-I1436 HydrophobicContact CE2-CG1 3.98Å; F1434-Y1526 WeakPolarHBondContact O-CA 3.48Å; F1434-L1527 HydrophobicContact CD2-CB 4.5Å; F1434-L1527 HydrophobicContact CE1-CB 4.39Å; F1434-L1527 HydrophobicContact CE2-CB 4.06Å; F1434-L1527 HydrophobicContact CE2-CD1 3.94Å; F1434-L1527 HydrophobicContact CE2-CG 4.34Å; F1434-L1527 HydrophobicContact CZ-CB 3.98Å; F1434-L1527 HydrophobicContact CZ-CD1 3.93Å; F1434-L1527 PolarHBondContact N-O 3.46Å; F1434-L1527 PolarHBondContact O-N 2.87Å |
| 1435 | R | 97.7 | Very high | 93.2 | Very high | 32 Ų | 32 | 28.8 Ų | 28.8 | 12% | 0.121 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 150.8 | 170.5 | -160.9 | -167.3 | 88.3 | -145.5 | 1.3 | 109.9 | F1395 E1396 F1399 S1437 I1524 C1525 Y1526 | F1395-R1435 VanDerWaalsContact CA-O 3.31Å; F1395-R1435 WeakPolarHBondContact CA-O 3.35Å; E1396-R1435 HydrophobicContact CB-CB 4.23Å; E1396-R1435 PolarHBondContact N-O 2.62Å; E1396-R1435 PolarHBondContact O-N 3.09Å; F1399-R1435 HydrophobicContact CE1-CB 4.07Å; F1399-R1435 HydrophobicContact CZ-CB 4.5Å; R1435-S1437 PolarHBondContact NH2-OG 3.43Å; R1435-I1524 HydrophobicContact CG-CG2 3.58Å; R1435-C1525 CarbonylContact C-O 3.47Å; R1435-C1525 WeakPolarHBondContact CA-O 3.2Å; R1435-Y1526 HydrophobicContact CB-CD1 4.04Å; R1435-Y1526 HydrophobicContact CB-CE1 3.74Å; R1435-Y1526 HydrophobicContact CG-CD1 4.26Å; R1435-Y1526 HydrophobicContact CG-CD2 4.27Å; R1435-Y1526 HydrophobicContact CG-CE1 3.84Å; R1435-Y1526 HydrophobicContact CG-CE2 3.84Å; R1435-Y1526 HydrophobicContact CG-CG 4.47Å |
| 1436 | I | 97 | Very high | 93.6 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 136.7 | 167.6 | -52.6 | 179.9 | 0 | 0 | 0 | 107.9 | L1393 E1394 F1395 F1434 M1439 F1447 F1518 C1525 L1527 | L1393-I1436 HydrophobicContact CB-CG2 4.14Å; L1393-I1436 HydrophobicContact CD1-CG2 3.92Å; L1393-I1436 HydrophobicContact CD2-CG2 3.95Å; L1393-I1436 HydrophobicContact CG-CG2 4.23Å; E1394-I1436 VanDerWaalsContact O-CA 3.28Å; E1394-I1436 WeakPolarHBondContact O-CA 3.33Å; F1395-I1436 HydrophobicContact CD1-CG1 4.19Å; F1395-I1436 HydrophobicContact CE1-CD1 4.37Å; F1395-I1436 HydrophobicContact CE1-CG1 4.22Å; F1434-I1436 HydrophobicContact CD2-CG1 4.01Å; F1434-I1436 HydrophobicContact CE2-CD1 3.98Å; F1434-I1436 HydrophobicContact CE2-CG1 3.98Å; I1436-M1439 HydrophobicContact CB-CE 4.3Å; I1436-M1439 HydrophobicContact CG2-CE 3.87Å; I1436-M1439 WeakPolarHBondContact O-CE 3.42Å; I1436-F1447 HydrophobicContact CD1-CE1 4.02Å; I1436-F1447 HydrophobicContact CD1-CZ 3.77Å; I1436-F1518 HydrophobicContact CD1-CZ 3.96Å; I1436-C1525 PolarHBondContact N-O 3.25Å; I1436-C1525 PolarHBondContact O-N 3.27Å; I1436-L1527 HydrophobicContact CD1-CD1 3.64Å; I1436-L1527 HydrophobicContact CD1-CG 3.89Å |
| 1437 | S | 96.2 | Very high | 94.3 | Very high | 8 Ų | 8 | 26.3 Ų | 26.3 | 6% | 0.056 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 172 | 166.8 | 42.2 | 0 | 0 | 0 | 0 | 110.8 | E1394 R1435 | E1394-S1437 VanDerWaalsContact CB-OG 3.3Å; E1394-S1437 WeakPolarHBondContact CB-OG 3.26Å; E1394-S1437 PolarHBondContact N-O 3.11Å; E1394-S1437 PolarHBondContact O-N 3.46Å; E1394-S1437 WeakPolarHBondContact OE2-CB 3.37Å; E1394-S1437 PolarHBondContact OE2-OG 2.95Å; R1435-S1437 PolarHBondContact NH2-OG 3.43Å |
| 1438 | N | 95 | Very high | 94.9 | Very high | 8 Ų | 8 | 25.8 Ų | 25.8 | 4% | 0.043 | 13% | 0.13 | C | C | . | . | S | Bend | trans | 65.5 | 41.5 | 177.3 | -154.9 | 44.5 | 0 | 0 | 0 | 116.7 | F1386 D1387 H1392 E1394 | F1386-N1438 VanDerWaalsContact CD2-OD1 3.23Å; F1386-N1438 WeakPolarHBondContact CD2-OD1 3.46Å; D1387-N1438 PolarHBondContact N-OD1 2.97Å; D1387-N1438 PolarHBondContact O-ND2 3Å; D1387-N1438 PolarHBondContact O-OD1 2.96Å; H1392-N1438 PolarHBondContact O-ND2 2.59Å; E1394-N1438 HydrophobicContact CG-CB 4.16Å |
| 1439 | M | 94.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.119 | C | C | . | . | P | Polyproline II helix | trans | -92.2 | 151.2 | 175 | 64 | -133.2 | 67 | 0 | 0 | 114 | L1393 I1436 Y1445 F1518 T1521 G1522 D1523 C1525 | L1393-M1439 HydrophobicContact CD2-CB 3.63Å; I1436-M1439 HydrophobicContact CB-CE 4.3Å; I1436-M1439 HydrophobicContact CG2-CE 3.87Å; I1436-M1439 WeakPolarHBondContact O-CE 3.42Å; M1439-Y1445 HydrophobicContact CB-CE2 4.37Å; M1439-F1518 HydrophobicContact CB-CB 4.36Å; M1439-F1518 HydrophobicContact CB-CD2 3.86Å; M1439-F1518 HydrophobicContact CB-CE2 4.44Å; M1439-F1518 HydrophobicContact CB-CG 4.17Å; M1439-F1518 HydrophobicContact CG-CB 3.84Å; M1439-F1518 HydrophobicContact CG-CD2 4.14Å; M1439-F1518 HydrophobicContact CG-CG 3.92Å; M1439-F1518 HydrophobicContact SD-CB 3.97Å; M1439-F1518 HydrophobicContact SD-CD1 3.6Å; M1439-F1518 VanDerWaalsContact SD-CD1 3.6Å; M1439-F1518 HydrophobicContact SD-CD2 4.09Å; M1439-F1518 HydrophobicContact SD-CE1 4.08Å; M1439-F1518 HydrophobicContact SD-CG 3.61Å; M1439-T1521 CarbonylContact O-C 3.52Å; M1439-T1521 WeakPolarHBondContact O-CA 3.5Å; M1439-G1522 PolarHBondContact O-N 2.96Å; M1439-D1523 WeakPolarHBondContact CE-O 3.45Å; M1439-D1523 HydrophobicContact CG-CB 4.39Å; M1439-D1523 HydrophobicContact SD-CB 3.96Å; M1439-C1525 HydrophobicContact CE-CB 4.34Å; M1439-C1525 HydrophobicContact SD-CB 4.03Å |
| 1440 | E | 93 | Very high | 95.4 | Very high | 62 Ų | 62 | 23.3 Ų | 23.3 | 29% | 0.29 | 12% | 0.12 | S | C | . | . | P | Polyproline II helix | trans | -88.4 | 132.2 | 166.2 | -66.4 | 178.4 | -101.8 | 0 | 0 | 110.2 | F1386 Y1413 I1443 Y1445 | F1386-E1440 HydrophobicContact CE1-CG 4.3Å; F1386-E1440 HydrophobicContact CE2-CG 3.85Å; F1386-E1440 HydrophobicContact CZ-CG 3.41Å; F1386-E1440 VanDerWaalsContact CZ-CG 3.41Å; Y1413-E1440 WeakPolarHBondContact CE1-OE1 3.23Å; Y1413-E1440 VanDerWaalsContact CZ-OE1 3.29Å; Y1413-E1440 PolarHBondContact OH-OE1 3.18Å; E1440-I1443 HydrophobicContact CB-CB 4.37Å; E1440-I1443 HydrophobicContact CB-CD1 3.73Å; E1440-I1443 HydrophobicContact CB-CG1 4.06Å; E1440-I1443 HydrophobicContact CG-CD1 4.25Å; E1440-I1443 WeakPolarHBondContact OE2-CD1 3.18Å; E1440-Y1445 WeakPolarHBondContact CB-OH 3.36Å; E1440-Y1445 PolarHBondContact N-OH 2.94Å |
| 1441 | S | 92.3 | Very high | 95.5 | Very high | 36 Ų | 36 | 22.8 Ų | 22.8 | 25% | 0.252 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | 153.2 | 173.4 | 60.6 | 0 | 0 | 0 | 0 | 112.2 | I1443 F1518 P1519 T1521 | S1441-I1443 PolarHBondContact O-N 2.89Å; S1441-F1518 CarbonylContact C-O 3.54Å; S1441-F1518 WeakPolarHBondContact CA-O 3.47Å; S1441-P1519 VanDerWaalsContact CB-O 3.26Å; S1441-P1519 WeakPolarHBondContact CB-O 3.46Å; S1441-T1521 WeakPolarHBondContact CB-OG1 3.36Å; S1441-T1521 PolarHBondContact N-OG1 3.05Å; S1441-T1521 PolarHBondContact OG-OG1 3.06Å |
| 1442 | N | 88.6 | Confident | 95.3 | Very high | 86 Ų | 86 | 23.1 Ų | 23.1 | 46% | 0.46 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | -8.4 | 172.6 | -66 | -82.3 | 0 | 0 | 0 | 116.2 | R1517 F1518 | N1442-R1517 VanDerWaalsContact CB-NH1 3.26Å; N1442-R1517 VanDerWaalsContact O-CD 3.31Å; N1442-R1517 WeakPolarHBondContact O-CD 3.44Å; N1442-R1517 WeakPolarHBondContact O-CG 3.45Å; N1442-R1517 PolarHBondContact O-NH1 2.87Å; N1442-R1517 VanDerWaalsContact OD1-CZ 3.22Å; N1442-R1517 PolarHBondContact OD1-NH1 3.46Å; N1442-R1517 PolarHBondContact OD1-NH2 3.17Å; N1442-F1518 PolarHBondContact N-O 2.91Å |
| 1443 | I | 92.3 | Very high | 94.8 | Very high | 44 Ų | 44 | 24.4 Ų | 24.4 | 23% | 0.226 | 13% | 0.127 | C | C | . | . | trans | -81.9 | 144.1 | 175.5 | -61.6 | -166.3 | 0 | 0 | 0 | 111.1 | Y1413 E1440 S1441 Y1445 R1517 | Y1413-I1443 HydrophobicContact CD1-CG2 3.69Å; Y1413-I1443 HydrophobicContact CD2-CG2 3.8Å; Y1413-I1443 HydrophobicContact CE1-CD1 4.05Å; Y1413-I1443 HydrophobicContact CE1-CG2 3.8Å; Y1413-I1443 HydrophobicContact CE2-CD1 4.16Å; Y1413-I1443 HydrophobicContact CE2-CG2 3.92Å; Y1413-I1443 HydrophobicContact CG-CG2 3.68Å; Y1413-I1443 WeakPolarHBondContact OH-CD1 3.49Å; E1440-I1443 HydrophobicContact CB-CB 4.37Å; E1440-I1443 HydrophobicContact CB-CD1 3.73Å; E1440-I1443 HydrophobicContact CB-CG1 4.06Å; E1440-I1443 HydrophobicContact CG-CD1 4.25Å; E1440-I1443 WeakPolarHBondContact OE2-CD1 3.18Å; S1441-I1443 PolarHBondContact O-N 2.89Å; I1443-Y1445 HydrophobicContact CB-CD2 4.49Å; I1443-Y1445 HydrophobicContact CB-CE2 3.93Å; I1443-Y1445 HydrophobicContact CG2-CD2 4.29Å; I1443-Y1445 HydrophobicContact CG2-CE2 3.95Å; I1443-Y1445 WeakPolarHBondContact O-CD2 3.19Å; I1443-R1517 WeakPolarHBondContact O-CA 3.46Å; I1443-R1517 WeakPolarHBondContact O-CG 3.37Å | ||
| 1444 | S | 93.4 | Very high | 94.1 | Very high | 66 Ų | 66 | 27.4 Ų | 27.4 | 46% | 0.462 | 14% | 0.14 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 103.9 | -177.9 | -64.1 | 0 | 0 | 0 | 0 | 111.5 | ||
| 1445 | Y | 96.9 | Very high | 93.5 | Very high | 6 Ų | 6 | 30 Ų | 30 | 2% | 0.024 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 125.3 | 177.9 | -69.1 | -99.6 | 0 | 0 | 0 | 110.6 | L1393 Y1413 Y1415 M1439 E1440 I1443 T1515 I1516 F1518 | L1393-Y1445 HydrophobicContact CD1-CD1 3.54Å; L1393-Y1445 HydrophobicContact CD1-CE1 3.85Å; L1393-Y1445 HydrophobicContact CD1-CG 4.28Å; L1393-Y1445 HydrophobicContact CD2-CD1 4.13Å; L1393-Y1445 HydrophobicContact CD2-CE1 3.59Å; L1393-Y1445 HydrophobicContact CG-CD1 3.87Å; L1393-Y1445 HydrophobicContact CG-CE1 3.62Å; Y1413-Y1445 HydrophobicContact CD1-CD1 4.07Å; Y1413-Y1445 AromaticContact CD1-CE1 3.53Å; Y1413-Y1445 HydrophobicContact CD1-CE1 3.53Å; Y1413-Y1445 HydrophobicContact CD1-CE2 4.46Å; Y1413-Y1445 AromaticContact CD1-CZ 3.75Å; Y1413-Y1445 HydrophobicContact CE1-CE1 4.2Å; Y1413-Y1445 WeakPolarHBondContact O-CA 3.19Å; Y1415-Y1445 HydrophobicContact CE2-CD1 4Å; Y1415-Y1445 HydrophobicContact CE2-CE1 4.43Å; M1439-Y1445 HydrophobicContact CB-CE2 4.37Å; E1440-Y1445 WeakPolarHBondContact CB-OH 3.36Å; E1440-Y1445 PolarHBondContact N-OH 2.94Å; I1443-Y1445 HydrophobicContact CB-CD2 4.49Å; I1443-Y1445 HydrophobicContact CB-CE2 3.93Å; I1443-Y1445 HydrophobicContact CG2-CD2 4.29Å; I1443-Y1445 HydrophobicContact CG2-CE2 3.95Å; I1443-Y1445 WeakPolarHBondContact O-CD2 3.19Å; Y1445-T1515 CarbonylContact O-C 3.56Å; Y1445-T1515 VanDerWaalsContact O-CA 3.28Å; Y1445-T1515 WeakPolarHBondContact O-CA 3.48Å; Y1445-I1516 PolarHBondContact N-O 3.2Å; Y1445-I1516 PolarHBondContact O-N 3.31Å; Y1445-F1518 AromaticContact CD2-CD2 3.54Å; Y1445-F1518 HydrophobicContact CD2-CD2 3.54Å; Y1445-F1518 AromaticContact CD2-CE2 3.76Å; Y1445-F1518 HydrophobicContact CD2-CE2 3.76Å; Y1445-F1518 AromaticContact CE2-CD2 3.93Å; Y1445-F1518 HydrophobicContact CE2-CD2 3.93Å; Y1445-F1518 HydrophobicContact CE2-CE2 4.42Å; Y1445-F1518 HydrophobicContact CG-CD2 4.2Å; Y1445-F1518 AromaticContact CG-CE2 3.93Å; Y1445-F1518 HydrophobicContact CG-CE2 3.93Å |
| 1446 | R | 97.1 | Very high | 92.9 | Very high | 83 Ų | 83 | 30.9 Ų | 30.9 | 31% | 0.313 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 125 | 175.8 | -176.8 | 162.9 | 73.2 | -139.9 | 2.8 | 110.6 | Y1413 E1414 Y1415 T1513 | Y1413-R1446 PolarHBondContact O-N 2.98Å; E1414-R1446 CarbonylContact C-O 3.44Å; E1414-R1446 VanDerWaalsContact CA-O 3.3Å; E1414-R1446 WeakPolarHBondContact CA-O 3.03Å; E1414-R1446 HydrophobicContact CB-CB 4.46Å; E1414-R1446 VanDerWaalsContact CD-NE 3.3Å; E1414-R1446 HydrophobicContact CG-CB 4.14Å; E1414-R1446 HydrophobicContact CG-CG 4.3Å; E1414-R1446 IonicContact OE1-CZ 3.85Å; E1414-R1446 IonicContact OE1-NE 3.75Å; E1414-R1446 PolarHBondContact OE1-NE 3.18Å; E1414-R1446 IonicContact OE1-NH2 3.26Å; E1414-R1446 PolarHBondContact OE1-NH2 3.03Å; E1414-R1446 IonicContact OE2-CZ 2.8Å; E1414-R1446 IonicContact OE2-NE 3.85Å; E1414-R1446 IonicContact OE2-NH2 3.25Å; E1414-R1446 PolarHBondContact OE2-NH2 2.79Å; Y1415-R1446 PolarHBondContact N-O 2.54Å; R1446-T1513 HydrophobicContact CG-CG2 3.9Å |
| 1447 | F | 98 | Very high | 92.5 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 132.5 | 175.7 | -59.3 | -81.8 | 0 | 0 | 0 | 109.5 | L1393 F1395 Y1415 L1417 I1436 T1513 F1514 I1516 F1518 L1527 | L1393-F1447 HydrophobicContact CD1-CE1 3.78Å; L1393-F1447 HydrophobicContact CD1-CZ 3.68Å; F1395-F1447 HydrophobicContact CE1-CE1 4.07Å; F1395-F1447 HydrophobicContact CZ-CE1 4.1Å; Y1415-F1447 HydrophobicContact CD2-CE1 4.29Å; Y1415-F1447 HydrophobicContact CG-CE1 4.49Å; L1417-F1447 HydrophobicContact CD1-CB 4.13Å; L1417-F1447 HydrophobicContact CD1-CD1 3.97Å; L1417-F1447 HydrophobicContact CD1-CG 4.44Å; L1417-F1447 HydrophobicContact CG-CD1 4.44Å; I1436-F1447 HydrophobicContact CD1-CE1 4.02Å; I1436-F1447 HydrophobicContact CD1-CZ 3.77Å; F1447-T1513 WeakPolarHBondContact O-CA 3.29Å; F1447-F1514 HydrophobicContact CB-CD2 4.05Å; F1447-F1514 HydrophobicContact CB-CE2 3.64Å; F1447-F1514 HydrophobicContact CB-CZ 4Å; F1447-F1514 HydrophobicContact CD2-CD2 4.1Å; F1447-F1514 AromaticContact CD2-CE2 3.8Å; F1447-F1514 HydrophobicContact CD2-CE2 3.8Å; F1447-F1514 AromaticContact CG-CE2 3.99Å; F1447-F1514 HydrophobicContact CG-CE2 3.99Å; F1447-F1514 PolarHBondContact N-O 3.47Å; F1447-F1514 PolarHBondContact O-N 3.04Å; F1447-I1516 HydrophobicContact CD2-CD1 4.47Å; F1447-I1516 HydrophobicContact CE2-CB 4.26Å; F1447-I1516 HydrophobicContact CE2-CD1 4.45Å; F1447-F1518 HydrophobicContact CE2-CE2 4.18Å; F1447-F1518 HydrophobicContact CE2-CZ 4.06Å; F1447-F1518 HydrophobicContact CZ-CE2 4.07Å; F1447-F1518 AromaticContact CZ-CZ 3.99Å; F1447-F1518 HydrophobicContact CZ-CZ 3.99Å; F1447-L1527 HydrophobicContact CE2-CD1 4.45Å |
| 1448 | N | 97.2 | Very high | 92.2 | Very high | 8 Ų | 8 | 31.1 Ų | 31.1 | 4% | 0.043 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 103.9 | 178.5 | -58.5 | -38.9 | 0 | 0 | 0 | 108.9 | E1414 Y1415 D1416 L1417 I1450 T1511 A1512 T1513 | E1414-N1448 PolarHBondContact OE1-ND2 3.43Å; Y1415-N1448 PolarHBondContact O-N 3.13Å; D1416-N1448 WeakPolarHBondContact OD1-CB 3.32Å; D1416-N1448 PolarHBondContact OD1-ND2 2.83Å; L1417-N1448 PolarHBondContact N-O 2.94Å; N1448-I1450 HydrophobicContact CB-CG2 3.92Å; N1448-I1450 PolarHBondContact O-N 2.93Å; N1448-T1511 HydrophobicContact CB-CG2 3.9Å; N1448-A1512 CarbonylContact C-O 3.5Å; N1448-A1512 WeakPolarHBondContact CA-O 3.39Å; N1448-T1513 WeakPolarHBondContact OD1-CG2 3.47Å; N1448-T1513 PolarHBondContact OD1-OG1 2.89Å |
| 1449 | I | 97.2 | Very high | 92 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 97.9 | 172.2 | -55.9 | 178.8 | 0 | 0 | 0 | 108.1 | L1417 L1419 F1432 T1511 A1512 F1514 | L1417-I1449 HydrophobicContact CB-CG1 4.27Å; L1417-I1449 HydrophobicContact CD1-CG1 4.29Å; L1419-I1449 HydrophobicContact CD1-CG2 3.65Å; L1419-I1449 HydrophobicContact CD2-CG2 4.43Å; L1419-I1449 HydrophobicContact CG-CG2 3.69Å; F1432-I1449 HydrophobicContact CD1-CD1 3.49Å; F1432-I1449 VanDerWaalsContact CD1-CD1 3.49Å; F1432-I1449 HydrophobicContact CE1-CD1 3.46Å; F1432-I1449 VanDerWaalsContact CE1-CD1 3.46Å; F1432-I1449 HydrophobicContact CG-CD1 4.08Å; F1432-I1449 HydrophobicContact CZ-CD1 4.05Å; I1449-T1511 VanDerWaalsContact O-CA 3.25Å; I1449-T1511 WeakPolarHBondContact O-CA 3.5Å; I1449-A1512 HydrophobicContact CB-CB 4.29Å; I1449-A1512 PolarHBondContact N-O 3.03Å; I1449-A1512 PolarHBondContact O-N 3.5Å; I1449-A1512 VanDerWaalsContact O-N 3.1Å; I1449-F1514 HydrophobicContact CD1-CE1 4Å; I1449-F1514 HydrophobicContact CD1-CZ 4.38Å; I1449-F1514 HydrophobicContact CG1-CE1 4.36Å |
| 1450 | I | 94.9 | Very high | 91.7 | Very high | 17 Ų | 17 | 34 Ų | 34 | 9% | 0.087 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | -1.1 | -163.5 | 58.6 | 162.1 | 0 | 0 | 0 | 115.8 | D1416 L1417 I1418 N1448 N1492 F1494 Y1510 T1511 | D1416-I1450 HydrophobicContact CB-CD1 4.26Å; D1416-I1450 HydrophobicContact CB-CG2 4.28Å; L1417-I1450 WeakPolarHBondContact O-CG1 3.42Å; L1417-I1450 PolarHBondContact O-N 2.82Å; I1418-I1450 HydrophobicContact CD1-CD1 4.38Å; I1418-I1450 HydrophobicContact CG1-CD1 4.07Å; I1418-I1450 HydrophobicContact CG1-CG1 4.03Å; N1448-I1450 HydrophobicContact CB-CG2 3.92Å; N1448-I1450 PolarHBondContact O-N 2.93Å; I1450-N1492 PolarHBondContact O-ND2 2.98Å; I1450-F1494 HydrophobicContact CB-CD2 4.13Å; I1450-F1494 HydrophobicContact CB-CE2 3.84Å; I1450-F1494 HydrophobicContact CD1-CD2 4.25Å; I1450-F1494 HydrophobicContact CD1-CE2 3.68Å; I1450-F1494 HydrophobicContact CD1-CZ 3.97Å; I1450-F1494 HydrophobicContact CG1-CE2 4.33Å; I1450-F1494 HydrophobicContact CG2-CE2 4.11Å; I1450-Y1510 CarbonylContact C-O 3.48Å; I1450-T1511 HydrophobicContact CG2-CG2 4.15Å |
| 1451 | N | 94.3 | Very high | 91.2 | Very high | 15 Ų | 15 | 32.9 Ų | 32.9 | 8% | 0.08 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 22.6 | -175.3 | 70.4 | -37.9 | 0 | 0 | 0 | 115.1 | L1419 I1429 Y1509 | L1419-N1451 PolarHBondContact N-ND2 2.85Å; L1419-N1451 PolarHBondContact N-OD1 2.91Å; L1419-N1451 PolarHBondContact O-ND2 3.28Å; I1429-N1451 WeakPolarHBondContact CD1-O 3.42Å; I1429-N1451 WeakPolarHBondContact CG2-O 3.47Å; N1451-Y1509 HydrophobicContact CB-CD1 4.14Å; N1451-Y1509 HydrophobicContact CB-CE1 4.22Å; N1451-Y1509 HydrophobicContact CB-CG 4.46Å; N1451-Y1509 WeakPolarHBondContact O-CD1 3.33Å |
| 1452 | C | 92.4 | Very high | 90.9 | Very high | 11 Ų | 11 | 31.3 Ų | 31.3 | 7% | 0.074 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 151.2 | 173.1 | -54.7 | 0 | 0 | 0 | 0 | 111.6 | Y1489 Y1509 Y1510 | C1452-Y1489 HydrophobicContact CB-CE2 3.68Å; C1452-Y1489 VanDerWaalsContact CB-OH 3.28Å; C1452-Y1489 WeakPolarHBondContact CB-OH 3.13Å; C1452-Y1509 WeakPolarHBondContact O-CA 3.39Å; C1452-Y1509 WeakPolarHBondContact O-CD1 3.29Å; C1452-Y1510 WeakPolarHBondContact CB-O 3.46Å; C1452-Y1510 PolarHBondContact N-O 2.83Å; C1452-Y1510 VanDerWaalsContact N-O 3.11Å; C1452-Y1510 PolarHBondContact O-N 3.37Å |
| 1453 | E | 86.7 | Confident | 91 | Very high | 29 Ų | 29 | 27.2 Ų | 27.2 | 14% | 0.136 | 15% | 0.149 | C | C | . | . | trans | -108.1 | -35.4 | -170.6 | -71.1 | -148 | 97.7 | 0 | 0 | 116.7 | S1427 Y1428 I1429 R1496 Y1509 | S1427-E1453 VanDerWaalsContact C-OE2 3.3Å; S1427-E1453 WeakPolarHBondContact CA-OE2 3.34Å; S1427-E1453 WeakPolarHBondContact CB-OE2 3.49Å; Y1428-E1453 PolarHBondContact N-OE2 3.03Å; I1429-E1453 HydrophobicContact CB-CG 4.31Å; I1429-E1453 HydrophobicContact CD1-CG 4.16Å; E1453-R1496 VanDerWaalsContact O-CZ 3.22Å; E1453-R1496 PolarHBondContact O-NH1 3.46Å; E1453-R1496 PolarHBondContact O-NH2 3.27Å; E1453-R1496 WeakPolarHBondContact OE1-CD 3.26Å; E1453-R1496 IonicContact OE1-CZ 3.21Å; E1453-R1496 IonicContact OE1-NE 2.88Å; E1453-R1496 IonicContact OE1-NH1 3.94Å; E1453-R1496 PolarHBondContact OE1-NH1 3Å; E1453-Y1509 HydrophobicContact CG-CD1 4.22Å; E1453-Y1509 HydrophobicContact CG-CE1 4.13Å | ||
| 1454 | K | 84.3 | Confident | 91.1 | Very high | 64 Ų | 64 | 26.3 Ų | 26.3 | 28% | 0.278 | 14% | 0.144 | S | C | . | . | S | Bend | trans | -66 | 152.7 | -175 | -70.5 | 178 | 170.3 | 169.7 | 0 | 111.9 | E1000 D1456 Y1489 Y1510 S1704 | E1000-K1454 WeakPolarHBondContact OE1-CA 3.35Å; K1454-D1456 WeakPolarHBondContact CB-O 3.43Å; K1454-D1456 PolarHBondContact O-N 3.26Å; K1454-Y1489 PolarHBondContact N-OH 3.41Å; K1454-Y1489 WeakPolarHBondContact O-CE1 3.49Å; K1454-Y1489 PolarHBondContact O-OH 2.67Å; K1454-Y1510 VanDerWaalsContact O-CD2 3.25Å; K1454-Y1510 WeakPolarHBondContact O-CD2 3.27Å; K1454-S1704 PolarHBondContact NZ-OG 3.31Å |
| 1455 | V | 84.8 | Confident | 91.2 | Very high | 54 Ų | 54 | 23.1 Ų | 23.1 | 33% | 0.327 | 12% | 0.122 | S | C | . | . | S | Bend | trans | -65.5 | -25.8 | 176.6 | 165.5 | 0 | 0 | 0 | 0 | 113 | E1000 D1505 Y1510 | E1000-V1455 WeakPolarHBondContact OE1-CG2 3.08Å; E1000-V1455 PolarHBondContact OE1-N 3.33Å; V1455-D1505 HydrophobicContact CG2-CB 3.92Å; V1455-Y1510 WeakPolarHBondContact O-CE1 3.08Å |
| 1456 | D | 84.8 | Confident | 91.1 | Very high | 50 Ų | 50 | 22.9 Ų | 22.9 | 27% | 0.267 | 12% | 0.12 | S | C | . | . | trans | -151.5 | 167 | -175.7 | -176 | 33.3 | 0 | 0 | 0 | 111 | K1454 N1460 R1705 | K1454-D1456 WeakPolarHBondContact CB-O 3.43Å; K1454-D1456 PolarHBondContact O-N 3.26Å; D1456-N1460 PolarHBondContact OD1-ND2 3.09Å; D1456-R1705 IonicContact OD2-CZ 2.68Å; D1456-R1705 IonicContact OD2-NE 2.91Å; D1456-R1705 PolarHBondContact OD2-NE 3.39Å; D1456-R1705 IonicContact OD2-NH2 3.27Å | ||
| 1457 | S | 88.6 | Confident | 91 | Very high | 14 Ų | 14 | 19.5 Ų | 19.5 | 10% | 0.098 | 11% | 0.108 | C | C | . | . | trans | -155.2 | 151.2 | -175.9 | 179.6 | 0 | 0 | 0 | 0 | 112.6 | F1459 N1460 Y1489 | S1457-F1459 PolarHBondContact O-N 3.5Å; S1457-F1459 WeakPolarHBondContact OG-CD2 3.34Å; S1457-N1460 WeakPolarHBondContact O-CB 3.36Å; S1457-N1460 PolarHBondContact O-N 3.39Å; S1457-Y1489 VanDerWaalsContact CB-CD2 3.46Å; S1457-Y1489 VanDerWaalsContact CB-CG 3.44Å | ||
| 1458 | Q | 89.2 | Confident | 90.9 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.109 | C | C | . | . | G | 310 helix | trans | -55.5 | -17.2 | 173.2 | -96.8 | 163.4 | 14.1 | 0 | 0 | 115.2 | N1460 A1461 G1462 M1463 H1703 S1704 R1705 M1706 S1791 C1793 | Q1458-N1460 PolarHBondContact O-N 3.38Å; Q1458-A1461 CarbonylContact O-C 3.59Å; Q1458-A1461 WeakPolarHBondContact O-CA 3.48Å; Q1458-A1461 WeakPolarHBondContact O-CB 3.22Å; Q1458-A1461 PolarHBondContact O-N 3.42Å; Q1458-G1462 PolarHBondContact O-N 3.35Å; Q1458-M1463 HydrophobicContact CB-CB 4Å; Q1458-M1463 HydrophobicContact CB-SD 3.8Å; Q1458-M1463 WeakPolarHBondContact O-CB 3.39Å; Q1458-M1463 PolarHBondContact O-N 3.35Å; Q1458-M1463 VanDerWaalsContact O-N 3.09Å; Q1458-H1703 PolarHBondContact NE2-O 3.09Å; Q1458-S1704 VanDerWaalsContact CD-C 3.46Å; Q1458-S1704 WeakPolarHBondContact CG-O 3.41Å; Q1458-S1704 VanDerWaalsContact NE2-C 3.29Å; Q1458-S1704 PolarHBondContact NE2-O 3.1Å; Q1458-R1705 WeakPolarHBondContact CG-O 3.49Å; Q1458-R1705 PolarHBondContact NE2-O 2.74Å; Q1458-M1706 PolarHBondContact NE2-O 2.71Å; Q1458-S1791 PolarHBondContact NE2-OG 3.42Å; Q1458-C1793 HydrophobicContact CB-CB 3.9Å; Q1458-C1793 HydrophobicContact CG-CB 3.51Å; Q1458-C1793 VanDerWaalsContact OE1-N 3.08Å |
| 1459 | F | 90.7 | Very high | 90.8 | Very high | 7 Ų | 7 | 19.2 Ų | 19.2 | 3% | 0.031 | 11% | 0.107 | C | C | . | . | G | 310 helix | trans | -57 | -35.2 | 167.1 | -69.4 | -60.1 | 0 | 0 | 0 | 112.3 | F1432 S1457 A1461 M1463 P1465 I1487 Y1489 A1512 Y1529 | F1432-F1459 HydrophobicContact CE1-CZ 4.17Å; F1432-F1459 HydrophobicContact CZ-CZ 4.33Å; S1457-F1459 PolarHBondContact O-N 3.5Å; S1457-F1459 WeakPolarHBondContact OG-CD2 3.34Å; F1459-A1461 PolarHBondContact O-N 3.31Å; F1459-M1463 WeakPolarHBondContact CD1-O 3.43Å; F1459-P1465 HydrophobicContact CE1-CB 4.46Å; F1459-I1487 HydrophobicContact CB-CG2 3.86Å; F1459-I1487 HydrophobicContact CD1-CG2 3.9Å; F1459-I1487 HydrophobicContact CG-CG2 4.27Å; F1459-Y1489 HydrophobicContact CD2-CD2 4.33Å; F1459-A1512 HydrophobicContact CD2-CB 4.07Å; F1459-A1512 HydrophobicContact CE2-CB 4.17Å; F1459-Y1529 HydrophobicContact CE2-CD2 4.36Å; F1459-Y1529 HydrophobicContact CE2-CE2 4.07Å; F1459-Y1529 HydrophobicContact CZ-CD2 4.19Å; F1459-Y1529 HydrophobicContact CZ-CE2 4.18Å |
| 1460 | N | 88.7 | Confident | 90.7 | Very high | 60 Ų | 60 | 19.2 Ų | 19.2 | 32% | 0.321 | 11% | 0.107 | S | C | . | . | G | 310 helix | trans | -74.5 | -7.3 | 171.8 | -70.9 | -23.8 | 0 | 0 | 0 | 113.7 | D1456 S1457 Q1458 Y1489 | D1456-N1460 PolarHBondContact OD1-ND2 3.09Å; S1457-N1460 WeakPolarHBondContact O-CB 3.36Å; S1457-N1460 PolarHBondContact O-N 3.39Å; Q1458-N1460 PolarHBondContact O-N 3.38Å; N1460-Y1489 PolarHBondContact ND2-O 3.33Å; N1460-Y1489 PolarHBondContact OD1-N 3.18Å; N1460-Y1489 PolarHBondContact OD1-O 3.31Å |
| 1461 | A | 83.3 | Confident | 90.6 | Very high | 40 Ų | 40 | 20.6 Ų | 20.6 | 33% | 0.331 | 11% | 0.113 | S | C | . | . | G | 310 helix | trans | -109.6 | 14 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q1458 F1459 K1707 | Q1458-A1461 CarbonylContact O-C 3.59Å; Q1458-A1461 WeakPolarHBondContact O-CA 3.48Å; Q1458-A1461 WeakPolarHBondContact O-CB 3.22Å; Q1458-A1461 PolarHBondContact O-N 3.42Å; F1459-A1461 PolarHBondContact O-N 3.31Å; A1461-K1707 VanDerWaalsContact O-CE 3.3Å; A1461-K1707 WeakPolarHBondContact O-CE 3.3Å; A1461-K1707 PolarHBondContact O-NZ 3.15Å |
| 1462 | G | 85.3 | Confident | 90.5 | Very high | 2 Ų | 2 | 21.2 Ų | 21.2 | 2% | 0.021 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.9 | 17.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y1139 Q1458 | Y1139-G1462 PolarHBondContact N-O 3.41Å; Y1139-G1462 VanDerWaalsContact O-CA 3.3Å; Y1139-G1462 WeakPolarHBondContact O-CA 3.43Å; Q1458-G1462 PolarHBondContact O-N 3.35Å |
| 1463 | M | 91.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | trans | -74 | 136.2 | 167.1 | -178.5 | 173.6 | 162.8 | 0 | 0 | 110.8 | Q1458 F1459 Y1529 C1793 | Q1458-M1463 HydrophobicContact CB-CB 4Å; Q1458-M1463 HydrophobicContact CB-SD 3.8Å; Q1458-M1463 WeakPolarHBondContact O-CB 3.39Å; Q1458-M1463 PolarHBondContact O-N 3.35Å; Q1458-M1463 VanDerWaalsContact O-N 3.09Å; F1459-M1463 WeakPolarHBondContact CD1-O 3.43Å; M1463-Y1529 HydrophobicContact CE-CD2 4.29Å; M1463-Y1529 HydrophobicContact CE-CE1 4.31Å; M1463-Y1529 HydrophobicContact CE-CE2 3.93Å; M1463-Y1529 WeakPolarHBondContact CE-O 3.22Å; M1463-C1793 HydrophobicContact CB-CB 3.96Å; M1463-C1793 HydrophobicContact CG-CB 4.4Å; M1463-C1793 HydrophobicContact SD-CB 4.38Å | ||
| 1464 | Q | 93.4 | Very high | 90.5 | Very high | 25 Ų | 25 | 23.3 Ų | 23.3 | 12% | 0.117 | 13% | 0.127 | C | C | . | . | trans | -105.5 | 149.7 | 168.2 | -62.3 | 179.6 | -69.3 | 0 | 0 | 110.9 | Y1139 R1482 G1484 I1487 | Y1139-Q1464 HydrophobicContact CG-CG 4.33Å; Q1464-R1482 HydrophobicContact CB-CB 4.07Å; Q1464-R1482 WeakPolarHBondContact O-CD 3.3Å; Q1464-R1482 PolarHBondContact O-NH1 3.45Å; Q1464-R1482 VanDerWaalsContact O-NH1 3.11Å; Q1464-G1484 PolarHBondContact NE2-O 2.95Å; Q1464-I1487 HydrophobicContact CB-CD1 4.1Å; Q1464-I1487 HydrophobicContact CG-CD1 3.66Å | ||
| 1465 | P | 95.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | trans | -64.1 | 162.5 | 165.4 | 31.4 | -36.8 | 0 | 0 | 0 | 110.9 | F1432 F1459 V1483 F1514 | F1432-P1465 HydrophobicContact CZ-CB 4.14Å; F1459-P1465 HydrophobicContact CE1-CB 4.46Å; P1465-V1483 VanDerWaalsContact CD-O 3.23Å; P1465-V1483 WeakPolarHBondContact CD-O 3.43Å; P1465-V1483 WeakPolarHBondContact CG-O 3.41Å; P1465-V1483 PolarHBondContact O-N 2.76Å; P1465-F1514 HydrophobicContact CG-CD1 4.29Å; P1465-F1514 HydrophobicContact CG-CD2 4.02Å; P1465-F1514 HydrophobicContact CG-CE1 4.47Å; P1465-F1514 HydrophobicContact CG-CE2 4.2Å; P1465-F1514 HydrophobicContact CG-CG 4.06Å; P1465-F1514 HydrophobicContact CG-CZ 4.42Å | ||
| 1466 | L | 95.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 142.7 | 174.6 | -69.2 | 171.8 | 0 | 0 | 0 | 111.7 | W1480 K1481 R1482 L1527 A1528 H1530 Y1531 | L1466-W1480 HydrophobicContact CB-CE3 3.79Å; L1466-W1480 HydrophobicContact CB-CZ3 4.16Å; L1466-K1481 WeakPolarHBondContact CA-O 3.35Å; L1466-R1482 HydrophobicContact CD2-CG 3.98Å; L1466-L1527 WeakPolarHBondContact O-CA 3.29Å; L1466-L1527 WeakPolarHBondContact O-CD2 3.44Å; L1466-A1528 HydrophobicContact CB-CB 4.47Å; L1466-A1528 PolarHBondContact N-O 3.17Å; L1466-A1528 PolarHBondContact O-N 3.24Å; L1466-A1528 VanDerWaalsContact O-N 3.13Å; L1466-H1530 VanDerWaalsContact CD1-C 3.4Å; L1466-Y1531 HydrophobicContact CD1-CD1 3.43Å; L1466-Y1531 VanDerWaalsContact CD1-CD1 3.43Å; L1466-Y1531 HydrophobicContact CD1-CD2 3.88Å; L1466-Y1531 HydrophobicContact CD1-CE1 3.63Å; L1466-Y1531 HydrophobicContact CD1-CE2 4.03Å; L1466-Y1531 HydrophobicContact CD1-CG 3.55Å; L1466-Y1531 HydrophobicContact CD2-CD1 4.2Å; L1466-Y1531 HydrophobicContact CD2-CE1 3.5Å; L1466-Y1531 HydrophobicContact CD2-CE2 4.3Å; L1466-Y1531 HydrophobicContact CG-CD1 4.48Å; L1466-Y1531 HydrophobicContact CG-CE1 4.24Å |
| 1467 | L | 95.7 | Very high | 90.4 | Very high | 12 Ų | 12 | 30.5 Ų | 30.5 | 6% | 0.063 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 141.3 | 168.6 | 175.3 | 70.5 | 0 | 0 | 0 | 109.5 | K1481 V1483 I1516 F1518 C1525 Y1526 L1527 | L1467-K1481 PolarHBondContact N-O 3Å; L1467-K1481 PolarHBondContact O-N 3.19Å; L1467-V1483 HydrophobicContact CB-CB 4.33Å; L1467-V1483 HydrophobicContact CB-CG1 3.99Å; L1467-V1483 HydrophobicContact CB-CG2 3.35Å; L1467-V1483 HydrophobicContact CD2-CG1 4.17Å; L1467-V1483 HydrophobicContact CD2-CG2 4.02Å; L1467-V1483 HydrophobicContact CG-CG2 4.29Å; L1467-I1516 HydrophobicContact CD2-CG2 4.45Å; L1467-F1518 HydrophobicContact CD1-CD1 4.45Å; L1467-F1518 HydrophobicContact CD1-CE1 3.99Å; L1467-C1525 HydrophobicContact CD1-CB 3.69Å; L1467-Y1526 WeakPolarHBondContact CA-O 3.28Å; L1467-L1527 HydrophobicContact CB-CD2 4.08Å; L1467-L1527 HydrophobicContact CD1-CD2 3.62Å; L1467-L1527 HydrophobicContact CG-CD2 4.48Å |
| 1468 | F | 95.8 | Very high | 90.1 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 136.2 | 161.2 | 178 | -77.6 | 0 | 0 | 0 | 108.5 | Y1123 P1124 I1127 A1129 V1470 W1480 C1525 Y1526 | Y1123-F1468 AromaticContact CD1-CE1 3.73Å; Y1123-F1468 HydrophobicContact CD1-CE1 3.73Å; Y1123-F1468 HydrophobicContact CD1-CZ 4.07Å; Y1123-F1468 HydrophobicContact CE1-CE1 4.12Å; Y1123-F1468 HydrophobicContact CE1-CZ 4.17Å; P1124-F1468 HydrophobicContact CB-CD1 4.25Å; P1124-F1468 HydrophobicContact CB-CD2 4.12Å; P1124-F1468 HydrophobicContact CB-CE2 4.38Å; P1124-F1468 HydrophobicContact CB-CG 4.06Å; P1124-F1468 HydrophobicContact CG-CB 4.13Å; P1124-F1468 HydrophobicContact CG-CD1 3.66Å; P1124-F1468 HydrophobicContact CG-CD2 4.35Å; P1124-F1468 HydrophobicContact CG-CE1 4.13Å; P1124-F1468 HydrophobicContact CG-CG 3.78Å; I1127-F1468 HydrophobicContact CD1-CE2 4.11Å; I1127-F1468 HydrophobicContact CD1-CZ 3.65Å; A1129-F1468 HydrophobicContact CB-CD2 3.75Å; A1129-F1468 HydrophobicContact CB-CE2 3.38Å; A1129-F1468 HydrophobicContact CB-CZ 4.25Å; F1468-V1470 HydrophobicContact CD1-CG2 4.46Å; F1468-V1470 HydrophobicContact CE1-CG2 4.11Å; F1468-W1480 HydrophobicContact CB-CD2 3.8Å; F1468-W1480 HydrophobicContact CB-CE3 3.57Å; F1468-W1480 HydrophobicContact CB-CG 4.46Å; F1468-W1480 HydrophobicContact CB-CH2 4.17Å; F1468-W1480 HydrophobicContact CB-CZ2 4.34Å; F1468-W1480 HydrophobicContact CB-CZ3 3.78Å; F1468-W1480 HydrophobicContact CD2-CD2 4.45Å; F1468-W1480 HydrophobicContact CD2-CG 4.42Å; F1468-C1525 CarbonylContact O-C 3.52Å; F1468-C1525 VanDerWaalsContact O-CA 3.27Å; F1468-C1525 WeakPolarHBondContact O-CA 3.36Å; F1468-Y1526 PolarHBondContact N-O 3.04Å; F1468-Y1526 PolarHBondContact O-N 3.13Å |
| 1469 | S | 95.4 | Very high | 90 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.014 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 127.8 | 174.3 | 164.1 | 0 | 0 | 0 | 0 | 110 | H1471 E1472 S1473 D1523 | S1469-H1471 VanDerWaalsContact C-N 3.33Å; S1469-H1471 PolarHBondContact OG-N 2.88Å; S1469-E1472 PolarHBondContact OG-N 3.26Å; S1469-S1473 PolarHBondContact O-N 2.88Å; S1469-S1473 VanDerWaalsContact O-N 3.1Å; S1469-D1523 WeakPolarHBondContact CB-OD2 3.37Å; S1469-D1523 VanDerWaalsContact OG-CG 3.3Å; S1469-D1523 PolarHBondContact OG-OD1 3.13Å; S1469-D1523 PolarHBondContact OG-OD2 3.42Å |
| 1470 | V | 94.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -69.9 | -34.6 | 174.2 | 178.4 | 0 | 0 | 0 | 0 | 110.1 | Y1123 D1379 I1383 F1468 S1473 L1474 I1524 Y1526 | Y1123-V1470 HydrophobicContact CD1-CB 4.37Å; Y1123-V1470 HydrophobicContact CD1-CG1 4.09Å; Y1123-V1470 HydrophobicContact CD1-CG2 3.72Å; Y1123-V1470 HydrophobicContact CE1-CG1 3.95Å; Y1123-V1470 HydrophobicContact CE1-CG2 4.33Å; Y1123-V1470 HydrophobicContact CG-CG1 4.41Å; Y1123-V1470 HydrophobicContact CG-CG2 4.05Å; D1379-V1470 HydrophobicContact CB-CG1 4.33Å; D1379-V1470 HydrophobicContact CB-CG2 4.29Å; I1383-V1470 HydrophobicContact CD1-CB 3.72Å; I1383-V1470 HydrophobicContact CD1-CG1 3.64Å; I1383-V1470 HydrophobicContact CG1-CG1 3.94Å; F1468-V1470 HydrophobicContact CD1-CG2 4.46Å; F1468-V1470 HydrophobicContact CE1-CG2 4.11Å; V1470-S1473 WeakPolarHBondContact O-CB 3.33Å; V1470-S1473 PolarHBondContact O-N 3.46Å; V1470-L1474 HydrophobicContact CG1-CD1 4.37Å; V1470-L1474 WeakPolarHBondContact O-CG 3.31Å; V1470-L1474 PolarHBondContact O-N 3.41Å; V1470-I1524 HydrophobicContact CB-CB 4.27Å; V1470-I1524 WeakPolarHBondContact CB-O 3.49Å; V1470-I1524 HydrophobicContact CG2-CB 4.07Å; V1470-I1524 HydrophobicContact CG2-CG2 3.99Å; V1470-I1524 WeakPolarHBondContact CG2-O 3.34Å; V1470-I1524 PolarHBondContact N-O 3.35Å; V1470-Y1526 HydrophobicContact CG2-CD2 4.4Å; V1470-Y1526 HydrophobicContact CG2-CE2 4.12Å |
| 1471 | H | 93.7 | Very high | 90.2 | Very high | 47 Ų | 47 | 33.4 Ų | 33.4 | 22% | 0.218 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.8 | -42.9 | 173.8 | -164.7 | 101.2 | 0 | 0 | 0 | 112.7 | I1383 S1469 S1473 L1474 Q1475 Y1520 D1523 | I1383-H1471 HydrophobicContact CG2-CB 4.27Å; I1383-H1471 VanDerWaalsContact CG2-ND1 3.29Å; I1383-H1471 WeakPolarHBondContact CG2-ND1 3.4Å; S1469-H1471 VanDerWaalsContact C-N 3.33Å; S1469-H1471 PolarHBondContact OG-N 2.88Å; H1471-S1473 VanDerWaalsContact C-N 3.32Å; H1471-S1473 PolarHBondContact O-N 3.05Å; H1471-L1474 PolarHBondContact O-N 3.36Å; H1471-Q1475 PolarHBondContact CD2-NE2 3.46Å; H1471-Q1475 VanDerWaalsContact CD2-NE2 3.3Å; H1471-Q1475 PolarHBondContact NE2-NE2 2.85Å; H1471-Q1475 WeakPolarHBondContact O-CG 3.23Å; H1471-Q1475 PolarHBondContact O-N 3.47Å; H1471-Q1475 VanDerWaalsContact O-N 3.08Å; H1471-Y1520 HydrophobicContact CB-CD2 4.03Å; H1471-Y1520 HydrophobicContact CB-CG 4.26Å; H1471-Y1520 AromaticContact CD2-CD1 3.29Å; H1471-Y1520 WeakPolarHBondContact CD2-CD1 3.49Å; H1471-Y1520 AromaticContact CD2-CD2 3.67Å; H1471-Y1520 AromaticContact CD2-CE1 3.39Å; H1471-Y1520 WeakPolarHBondContact CD2-CE1 3.46Å; H1471-Y1520 AromaticContact CD2-CE2 3.83Å; H1471-Y1520 AromaticContact CD2-CG 3.42Å; H1471-Y1520 VanDerWaalsContact CD2-CG 3.42Å; H1471-Y1520 AromaticContact CD2-CZ 3.67Å; H1471-Y1520 AromaticContact CG-CG 3.83Å; H1471-Y1520 AromaticContact NE2-CD1 3.34Å; H1471-Y1520 VanDerWaalsContact NE2-CD1 3.34Å; H1471-Y1520 WeakPolarHBondContact NE2-CD1 3.12Å; H1471-Y1520 AromaticContact NE2-CE1 3.56Å; H1471-Y1520 AromaticContact NE2-CG 3.87Å; H1471-D1523 HydrophobicContact CB-CB 4.47Å; H1471-D1523 WeakPolarHBondContact CB-OD1 3.27Å; H1471-D1523 PolarHBondContact N-OD1 2.92Å |
| 1472 | E | 91.3 | Very high | 90.7 | Very high | 28 Ų | 28 | 32 Ų | 32 | 13% | 0.131 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.8 | -36.8 | 173.5 | -66.7 | -172.8 | 136.9 | 0 | 0 | 112.2 | S1469 Q1475 H1477 K1481 Y1520 | S1469-E1472 PolarHBondContact OG-N 3.26Å; E1472-Q1475 CarbonylContact O-C 3.51Å; E1472-Q1475 VanDerWaalsContact O-C 3.31Å; E1472-Q1475 WeakPolarHBondContact O-CA 3.21Å; E1472-Q1475 PolarHBondContact O-N 3.35Å; E1472-H1477 HydrophobicContact CB-CB 4.5Å; E1472-H1477 CarbonylContact O-C 3.59Å; E1472-H1477 WeakPolarHBondContact O-CA 3.31Å; E1472-H1477 WeakPolarHBondContact O-CB 3.35Å; E1472-H1477 PolarHBondContact O-N 2.8Å; E1472-K1481 IonicContact OE1-NZ 2.63Å; E1472-K1481 PolarHBondContact OE1-NZ 2.77Å; E1472-K1481 WeakPolarHBondContact OE2-CE 3.4Å; E1472-K1481 IonicContact OE2-NZ 3.74Å; E1472-K1481 PolarHBondContact OE2-NZ 2.86Å; E1472-Y1520 HydrophobicContact CG-CD2 4.49Å; E1472-Y1520 HydrophobicContact CG-CE2 3.56Å |
| 1473 | S | 90.2 | Very high | 91 | Very high | 12 Ų | 12 | 33.3 Ų | 33.3 | 8% | 0.084 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.8 | -47.5 | 176.3 | -172 | 0 | 0 | 0 | 0 | 112.6 | I1127 S1469 V1470 H1471 Q1475 S1476 P1478 | I1127-S1473 WeakPolarHBondContact CD1-OG 3.44Å; S1469-S1473 PolarHBondContact O-N 2.88Å; S1469-S1473 VanDerWaalsContact O-N 3.1Å; V1470-S1473 WeakPolarHBondContact O-CB 3.33Å; V1470-S1473 PolarHBondContact O-N 3.46Å; H1471-S1473 VanDerWaalsContact C-N 3.32Å; H1471-S1473 PolarHBondContact O-N 3.05Å; S1473-Q1475 PolarHBondContact O-N 3.32Å; S1473-S1476 WeakPolarHBondContact O-CA 3.28Å; S1473-S1476 PolarHBondContact O-N 2.97Å; S1473-P1478 WeakPolarHBondContact OG-CB 3.21Å |
| 1474 | L | 89.4 | Confident | 91 | Very high | 71 Ų | 71 | 34.1 Ų | 34.1 | 37% | 0.372 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -64.7 | -30.7 | 175.1 | -67 | 172.9 | 0 | 0 | 0 | 111.7 | E1380 I1383 V1470 H1471 S1476 | E1380-L1474 HydrophobicContact CB-CD1 4.45Å; E1380-L1474 HydrophobicContact CG-CD1 4.5Å; E1380-L1474 HydrophobicContact CG-CD2 4.09Å; I1383-L1474 HydrophobicContact CG1-CD1 3.96Å; V1470-L1474 HydrophobicContact CG1-CD1 4.37Å; V1470-L1474 WeakPolarHBondContact O-CG 3.31Å; V1470-L1474 PolarHBondContact O-N 3.41Å; H1471-L1474 PolarHBondContact O-N 3.36Å; L1474-S1476 PolarHBondContact O-N 2.94Å |
| 1475 | Q | 88.4 | Confident | 90.9 | Very high | 94 Ų | 94 | 35 Ų | 35 | 44% | 0.439 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | 26.8 | 168.3 | -67.6 | 179.6 | -4.7 | 0 | 0 | 113.3 | H1471 E1472 S1473 H1477 Y1520 | H1471-Q1475 PolarHBondContact CD2-NE2 3.46Å; H1471-Q1475 VanDerWaalsContact CD2-NE2 3.3Å; H1471-Q1475 PolarHBondContact NE2-NE2 2.85Å; H1471-Q1475 WeakPolarHBondContact O-CG 3.23Å; H1471-Q1475 PolarHBondContact O-N 3.47Å; H1471-Q1475 VanDerWaalsContact O-N 3.08Å; E1472-Q1475 CarbonylContact O-C 3.51Å; E1472-Q1475 VanDerWaalsContact O-C 3.31Å; E1472-Q1475 WeakPolarHBondContact O-CA 3.21Å; E1472-Q1475 PolarHBondContact O-N 3.35Å; S1473-Q1475 PolarHBondContact O-N 3.32Å; Q1475-H1477 PolarHBondContact O-N 3.01Å; Q1475-H1477 PolarHBondContact O-ND1 2.76Å; Q1475-Y1520 PolarHBondContact OE1-OH 3.06Å |
| 1476 | S | 80.8 | Confident | 90.6 | Very high | 103 Ų | 103 | 38.4 Ų | 38.4 | 72% | 0.72 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 22.2 | 178.5 | -54.5 | 0 | 0 | 0 | 0 | 115.9 | S1473 L1474 P1478 | S1473-S1476 WeakPolarHBondContact O-CA 3.28Å; S1473-S1476 PolarHBondContact O-N 2.97Å; L1474-S1476 PolarHBondContact O-N 2.94Å; S1476-P1478 VanDerWaalsContact O-CD 3.3Å; S1476-P1478 WeakPolarHBondContact O-CD 3.36Å |
| 1477 | H | 81.6 | Confident | 90.4 | Very high | 122 Ų | 122 | 38.5 Ų | 38.5 | 57% | 0.565 | 21% | 0.214 | S | C | * | . | trans | -118.6 | 57.9 | 175.3 | -67.8 | 76.1 | 0 | 0 | 0 | 112.8 | E1472 Q1475 C1479 | E1472-H1477 HydrophobicContact CB-CB 4.5Å; E1472-H1477 CarbonylContact O-C 3.59Å; E1472-H1477 WeakPolarHBondContact O-CA 3.31Å; E1472-H1477 WeakPolarHBondContact O-CB 3.35Å; E1472-H1477 PolarHBondContact O-N 2.8Å; Q1475-H1477 PolarHBondContact O-N 3.01Å; Q1475-H1477 PolarHBondContact O-ND1 2.76Å; H1477-C1479 VanDerWaalsContact C-N 3.31Å; H1477-C1479 PolarHBondContact O-N 2.68Å; H1477-C1479 PolarHBondContact O-SG 2.78Å; H1477-C1479 VanDerWaalsContact O-SG 3.33Å | ||
| 1478 | P | 82 | Confident | 90.2 | Very high | 57 Ų | 57 | 38.9 Ų | 38.9 | 37% | 0.37 | 22% | 0.216 | S | C | . | . | trans | -72 | 74.6 | -175.4 | 32.8 | -39.1 | 0 | 0 | 0 | 112.8 | I1127 S1473 S1476 | I1127-P1478 HydrophobicContact CD1-CB 3.58Å; S1473-P1478 WeakPolarHBondContact OG-CB 3.21Å; S1476-P1478 VanDerWaalsContact O-CD 3.3Å; S1476-P1478 WeakPolarHBondContact O-CD 3.36Å | ||
| 1479 | C | 88.1 | Confident | 90 | Very high | 24 Ų | 24 | 39.7 Ų | 39.7 | 16% | 0.162 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 139.2 | -172.5 | 61.4 | 0 | 0 | 0 | 0 | 114.9 | H1130 H1477 K1481 | H1130-C1479 CarbonylContact O-C 3.6Å; H1130-C1479 VanDerWaalsContact O-CA 3.29Å; H1130-C1479 WeakPolarHBondContact O-CA 3.32Å; H1477-C1479 VanDerWaalsContact C-N 3.31Å; H1477-C1479 PolarHBondContact O-N 2.68Å; H1477-C1479 PolarHBondContact O-SG 2.78Å; H1477-C1479 VanDerWaalsContact O-SG 3.33Å; C1479-K1481 WeakPolarHBondContact SG-CE 3.32Å |
| 1480 | W | 93.2 | Very high | 89.8 | Confident | 7 Ų | 7 | 43.1 Ų | 43.1 | 3% | 0.027 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 124.7 | 167 | -73.5 | 102 | 0 | 0 | 0 | 110.4 | P1124 H1130 S1132 Y1433 L1466 F1468 A1528 Y1531 P1532 | P1124-W1480 HydrophobicContact CB-CH2 4.45Å; P1124-W1480 HydrophobicContact CB-CZ2 3.53Å; P1124-W1480 HydrophobicContact CG-CH2 4.27Å; P1124-W1480 HydrophobicContact CG-CZ2 3.8Å; H1130-W1480 PolarHBondContact O-N 3.17Å; S1132-W1480 PolarHBondContact N-O 2.73Å; Y1433-W1480 HydrophobicContact CD2-CH2 4.43Å; Y1433-W1480 AromaticContact CE2-CH2 3.73Å; Y1433-W1480 HydrophobicContact CE2-CH2 3.73Å; Y1433-W1480 HydrophobicContact CE2-CZ2 4.2Å; L1466-W1480 HydrophobicContact CB-CE3 3.79Å; L1466-W1480 HydrophobicContact CB-CZ3 4.16Å; F1468-W1480 HydrophobicContact CB-CD2 3.8Å; F1468-W1480 HydrophobicContact CB-CE3 3.57Å; F1468-W1480 HydrophobicContact CB-CG 4.46Å; F1468-W1480 HydrophobicContact CB-CH2 4.17Å; F1468-W1480 HydrophobicContact CB-CZ2 4.34Å; F1468-W1480 HydrophobicContact CB-CZ3 3.78Å; F1468-W1480 HydrophobicContact CD2-CD2 4.45Å; F1468-W1480 HydrophobicContact CD2-CG 4.42Å; W1480-A1528 HydrophobicContact CH2-CB 3.91Å; W1480-A1528 HydrophobicContact CZ3-CB 3.91Å; W1480-Y1531 HydrophobicContact CB-CD1 3.72Å; W1480-Y1531 HydrophobicContact CB-CE1 3.64Å; W1480-Y1531 HydrophobicContact CG-CD1 4.06Å; W1480-Y1531 HydrophobicContact CG-CE1 4.46Å; W1480-P1532 HydrophobicContact CH2-CG 4.14Å; W1480-P1532 HydrophobicContact CZ2-CG 3.74Å |
| 1481 | K | 91.3 | Very high | 89.5 | Confident | 54 Ų | 54 | 48.2 Ų | 48.2 | 24% | 0.235 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 143.4 | -178.3 | -61.6 | 174.7 | -176.6 | 174.6 | 0 | 111.2 | E1136 L1466 L1467 E1472 C1479 V1483 | E1136-K1481 WeakPolarHBondContact OE1-CA 3.36Å; L1466-K1481 WeakPolarHBondContact CA-O 3.35Å; L1467-K1481 PolarHBondContact N-O 3Å; L1467-K1481 PolarHBondContact O-N 3.19Å; E1472-K1481 IonicContact OE1-NZ 2.63Å; E1472-K1481 PolarHBondContact OE1-NZ 2.77Å; E1472-K1481 WeakPolarHBondContact OE2-CE 3.4Å; E1472-K1481 IonicContact OE2-NZ 3.74Å; E1472-K1481 PolarHBondContact OE2-NZ 2.86Å; C1479-K1481 WeakPolarHBondContact SG-CE 3.32Å; K1481-V1483 HydrophobicContact CB-CG1 3.99Å |
| 1482 | R | 92.3 | Very high | 89.2 | Confident | 12 Ų | 12 | 46.5 Ų | 46.5 | 5% | 0.045 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 120.6 | 168.1 | -67.8 | -74.5 | -173.2 | 153.1 | 11.7 | 108.8 | E1136 Q1464 L1466 Y1792 Q1832 I1833 | E1136-R1482 HydrophobicContact CB-CB 4.37Å; E1136-R1482 HydrophobicContact CB-CG 4.44Å; E1136-R1482 HydrophobicContact CG-CB 4.47Å; E1136-R1482 PolarHBondContact OE1-N 3.1Å; E1136-R1482 WeakPolarHBondContact OE2-CG 3.16Å; Q1464-R1482 HydrophobicContact CB-CB 4.07Å; Q1464-R1482 WeakPolarHBondContact O-CD 3.3Å; Q1464-R1482 PolarHBondContact O-NH1 3.45Å; Q1464-R1482 VanDerWaalsContact O-NH1 3.11Å; L1466-R1482 HydrophobicContact CD2-CG 3.98Å; R1482-Y1792 PolarHBondContact NH1-O 3.35Å; R1482-Y1792 PolarHBondContact NH2-O 2.92Å; R1482-Q1832 HydrophobicContact CG-CB 4.18Å; R1482-I1833 PolarHBondContact NH2-O 3.02Å |
| 1483 | V | 92 | Very high | 88.7 | Confident | 29 Ų | 29 | 53.6 Ų | 53.6 | 18% | 0.176 | 28% | 0.277 | C | S | . | . | trans | -138.8 | 158.7 | -174.5 | -54.4 | 0 | 0 | 0 | 0 | 113.7 | P1465 L1467 K1481 I1516 | P1465-V1483 VanDerWaalsContact CD-O 3.23Å; P1465-V1483 WeakPolarHBondContact CD-O 3.43Å; P1465-V1483 WeakPolarHBondContact CG-O 3.41Å; P1465-V1483 PolarHBondContact O-N 2.76Å; L1467-V1483 HydrophobicContact CB-CB 4.33Å; L1467-V1483 HydrophobicContact CB-CG1 3.99Å; L1467-V1483 HydrophobicContact CB-CG2 3.35Å; L1467-V1483 HydrophobicContact CD2-CG1 4.17Å; L1467-V1483 HydrophobicContact CD2-CG2 4.02Å; L1467-V1483 HydrophobicContact CG-CG2 4.29Å; K1481-V1483 HydrophobicContact CB-CG1 3.99Å; V1483-I1516 HydrophobicContact CG2-CD1 3.99Å; V1483-I1516 HydrophobicContact CG2-CG1 4.17Å; V1483-I1516 HydrophobicContact CG2-CG2 4.36Å | ||
| 1484 | G | 91 | Very high | 88.3 | Confident | 17 Ų | 17 | 58 Ų | 58 | 18% | 0.175 | 29% | 0.294 | C | S | . | . | trans | 122.9 | 156.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q1464 T1515 | Q1464-G1484 PolarHBondContact NE2-O 2.95Å; G1484-T1515 CarbonylContact C-O 3.58Å; G1484-T1515 WeakPolarHBondContact CA-O 3.26Å | ||
| 1485 | S | 91.8 | Very high | 87.5 | Confident | 44 Ų | 44 | 57.9 Ų | 57.9 | 31% | 0.308 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 169.1 | -178.5 | 59.8 | 0 | 0 | 0 | 0 | 110 | I1487 T1515 | S1485-I1487 PolarHBondContact O-N 3.12Å; S1485-I1487 VanDerWaalsContact O-N 3.15Å; S1485-T1515 PolarHBondContact N-O 3.36Å; S1485-T1515 PolarHBondContact O-N 3.02Å; S1485-T1515 PolarHBondContact OG-O 2.89Å |
| 1486 | N | 89.3 | Confident | 86.6 | Confident | 70 Ų | 70 | 55.6 Ų | 55.6 | 37% | 0.374 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 53.5 | 33.3 | -178.1 | -56.1 | -56.9 | 0 | 0 | 0 | 113 | Y1139 I1145 I1488 | Y1139-N1486 PolarHBondContact OH-N 3.3Å; I1145-N1486 WeakPolarHBondContact CD1-OD1 3.37Å; N1486-I1488 PolarHBondContact O-N 3.35Å |
| 1487 | I | 91.3 | Very high | 85.6 | Confident | 3 Ų | 3 | 56.9 Ų | 56.9 | 2% | 0.015 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 123.5 | -174.7 | -55.9 | -173.9 | 0 | 0 | 0 | 109.3 | Y1139 F1459 Q1464 S1485 T1513 F1514 | Y1139-I1487 HydrophobicContact CD1-CB 3.88Å; Y1139-I1487 HydrophobicContact CD1-CD1 4.04Å; Y1139-I1487 HydrophobicContact CD1-CG1 4.05Å; Y1139-I1487 HydrophobicContact CE1-CB 3.81Å; Y1139-I1487 HydrophobicContact CE1-CD1 4.43Å; Y1139-I1487 HydrophobicContact CE1-CG1 3.98Å; Y1139-I1487 HydrophobicContact CG-CD1 4.27Å; F1459-I1487 HydrophobicContact CB-CG2 3.86Å; F1459-I1487 HydrophobicContact CD1-CG2 3.9Å; F1459-I1487 HydrophobicContact CG-CG2 4.27Å; Q1464-I1487 HydrophobicContact CB-CD1 4.1Å; Q1464-I1487 HydrophobicContact CG-CD1 3.66Å; S1485-I1487 PolarHBondContact O-N 3.12Å; S1485-I1487 VanDerWaalsContact O-N 3.15Å; I1487-T1513 WeakPolarHBondContact CA-O 3.45Å; I1487-F1514 HydrophobicContact CG1-CB 3.96Å |
| 1488 | I | 90.5 | Very high | 84.1 | Confident | 20 Ų | 20 | 55.5 Ų | 55.5 | 10% | 0.103 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 135.9 | -179.7 | -174 | 173.6 | 0 | 0 | 0 | 110.8 | I1145 F1149 N1486 Y1490 T1513 | I1145-I1488 HydrophobicContact CG2-CD1 4.35Å; F1149-I1488 HydrophobicContact CB-CD1 3.93Å; F1149-I1488 HydrophobicContact CD2-CD1 3.64Å; F1149-I1488 HydrophobicContact CE2-CD1 4.32Å; F1149-I1488 HydrophobicContact CG-CD1 3.79Å; N1486-I1488 PolarHBondContact O-N 3.35Å; I1488-Y1490 HydrophobicContact CB-CD1 4.47Å; I1488-Y1490 HydrophobicContact CD1-CD1 4.35Å; I1488-Y1490 HydrophobicContact CG1-CD1 4.05Å; I1488-Y1490 HydrophobicContact CG2-CD1 3.89Å; I1488-Y1490 HydrophobicContact CG2-CE1 4.03Å; I1488-T1513 HydrophobicContact CG2-CG2 4.41Å; I1488-T1513 PolarHBondContact N-O 3.42Å; I1488-T1513 PolarHBondContact O-N 2.91Å |
| 1489 | Y | 91.5 | Very high | 82.5 | Confident | 17 Ų | 17 | 56.8 Ų | 56.8 | 7% | 0.067 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 111.8 | 172.2 | -170.9 | -89.6 | 0 | 0 | 0 | 110.1 | C1452 K1454 S1457 F1459 N1460 Y1510 T1511 A1512 | C1452-Y1489 HydrophobicContact CB-CE2 3.68Å; C1452-Y1489 VanDerWaalsContact CB-OH 3.28Å; C1452-Y1489 WeakPolarHBondContact CB-OH 3.13Å; K1454-Y1489 PolarHBondContact N-OH 3.41Å; K1454-Y1489 WeakPolarHBondContact O-CE1 3.49Å; K1454-Y1489 PolarHBondContact O-OH 2.67Å; S1457-Y1489 VanDerWaalsContact CB-CD2 3.46Å; S1457-Y1489 VanDerWaalsContact CB-CG 3.44Å; F1459-Y1489 HydrophobicContact CD2-CD2 4.33Å; N1460-Y1489 PolarHBondContact ND2-O 3.33Å; N1460-Y1489 PolarHBondContact OD1-N 3.18Å; N1460-Y1489 PolarHBondContact OD1-O 3.31Å; Y1489-Y1510 HydrophobicContact CD1-CD1 4.25Å; Y1489-Y1510 AromaticContact CE1-CD1 3.75Å; Y1489-Y1510 HydrophobicContact CE1-CD1 3.75Å; Y1489-Y1510 AromaticContact CE1-CG 3.95Å; Y1489-Y1510 HydrophobicContact CE1-CG 3.95Å; Y1489-T1511 WeakPolarHBondContact CA-O 3.5Å; Y1489-A1512 HydrophobicContact CD2-CB 3.78Å; Y1489-A1512 HydrophobicContact CE2-CB 4.25Å |
| 1490 | Y | 91.7 | Very high | 80.1 | Confident | 74 Ų | 74 | 58.6 Ų | 58.6 | 29% | 0.29 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 152.4 | -170.7 | 64.4 | -80.7 | 0 | 0 | 0 | 112.7 | I1488 N1492 Y1510 T1511 T1513 | I1488-Y1490 HydrophobicContact CB-CD1 4.47Å; I1488-Y1490 HydrophobicContact CD1-CD1 4.35Å; I1488-Y1490 HydrophobicContact CG1-CD1 4.05Å; I1488-Y1490 HydrophobicContact CG2-CD1 3.89Å; I1488-Y1490 HydrophobicContact CG2-CE1 4.03Å; Y1490-N1492 PolarHBondContact O-N 3.24Å; Y1490-Y1510 CarbonylContact O-C 3.52Å; Y1490-Y1510 WeakPolarHBondContact O-CA 3.4Å; Y1490-T1511 HydrophobicContact CE1-CG2 3.94Å; Y1490-T1511 PolarHBondContact N-O 3.15Å; Y1490-T1511 PolarHBondContact O-N 3.29Å; Y1490-T1513 WeakPolarHBondContact CE1-OG1 3.36Å; Y1490-T1513 PolarHBondContact OH-OG1 3.12Å |
| 1491 | R | 89.2 | Confident | 77.5 | Confident | 107 Ų | 107 | 64 Ų | 64 | 40% | 0.404 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 129 | 177.7 | -172.9 | -175.7 | 176.4 | 140.3 | 15.8 | 111.5 | S1506 T1508 Y1510 | R1491-S1506 PolarHBondContact NH1-OG 3.25Å; R1491-S1506 PolarHBondContact NH2-O 3.46Å; R1491-S1506 PolarHBondContact NH2-OG 3.17Å; R1491-T1508 VanDerWaalsContact CZ-OG1 3.28Å; R1491-T1508 PolarHBondContact NE-OG1 3.47Å; R1491-T1508 PolarHBondContact NH2-OG1 3.44Å; R1491-Y1510 VanDerWaalsContact CA-CD1 3.46Å; R1491-Y1510 HydrophobicContact CB-CD1 3.89Å; R1491-Y1510 HydrophobicContact CB-CE1 3.51Å; R1491-Y1510 HydrophobicContact CG-CD1 4.43Å; R1491-Y1510 HydrophobicContact CG-CE1 3.95Å; R1491-Y1510 HydrophobicContact CG-CE2 4.2Å |
| 1492 | N | 86.7 | Confident | 74.8 | Confident | 11 Ų | 11 | 63.6 Ų | 63.6 | 6% | 0.059 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | -174.5 | 178.5 | 76.3 | 43.3 | 0 | 0 | 0 | 113.2 | I1450 Y1490 F1494 T1508 Y1509 Y1510 T1511 | I1450-N1492 PolarHBondContact O-ND2 2.98Å; Y1490-N1492 PolarHBondContact O-N 3.24Å; N1492-F1494 HydrophobicContact CB-CD2 4.45Å; N1492-F1494 WeakPolarHBondContact OD1-CB 3.49Å; N1492-F1494 WeakPolarHBondContact OD1-CD2 3.21Å; N1492-F1494 PolarHBondContact OD1-N 2.86Å; N1492-T1508 WeakPolarHBondContact O-CB 3.36Å; N1492-Y1509 VanDerWaalsContact CG-O 3.32Å; N1492-Y1509 PolarHBondContact N-O 3.49Å; N1492-Y1509 PolarHBondContact OD1-O 2.83Å; N1492-Y1510 PolarHBondContact ND2-O 2.72Å; N1492-T1511 WeakPolarHBondContact CB-OG1 3.46Å; N1492-T1511 PolarHBondContact ND2-N 2.91Å; N1492-T1511 PolarHBondContact ND2-OG1 2.92Å |
| 1493 | H | 81 | Confident | 71.9 | Confident | 177 Ų | 177 | 70.3 Ų | 70.3 | 82% | 0.819 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.7 | -1.4 | -175.1 | -61.5 | -23.6 | 0 | 0 | 0 | 114.4 | T1495 | H1493-T1495 PolarHBondContact O-N 2.81Å |
| 1494 | F | 81.4 | Confident | 69.2 | Low | 104 Ų | 104 | 73.6 Ų | 73.6 | 46% | 0.456 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 116.8 | 178.4 | -59.3 | -65.5 | 0 | 0 | 0 | 109.5 | I1450 N1492 R1496 T1508 Y1509 | I1450-F1494 HydrophobicContact CB-CD2 4.13Å; I1450-F1494 HydrophobicContact CB-CE2 3.84Å; I1450-F1494 HydrophobicContact CD1-CD2 4.25Å; I1450-F1494 HydrophobicContact CD1-CE2 3.68Å; I1450-F1494 HydrophobicContact CD1-CZ 3.97Å; I1450-F1494 HydrophobicContact CG1-CE2 4.33Å; I1450-F1494 HydrophobicContact CG2-CE2 4.11Å; N1492-F1494 HydrophobicContact CB-CD2 4.45Å; N1492-F1494 WeakPolarHBondContact OD1-CB 3.49Å; N1492-F1494 WeakPolarHBondContact OD1-CD2 3.21Å; N1492-F1494 PolarHBondContact OD1-N 2.86Å; F1494-R1496 PolarHBondContact O-N 3.37Å; F1494-T1508 CarbonylContact O-C 3.59Å; F1494-T1508 WeakPolarHBondContact O-CA 3.49Å; F1494-T1508 WeakPolarHBondContact O-CB 3.34Å; F1494-Y1509 HydrophobicContact CB-CD2 3.93Å; F1494-Y1509 PolarHBondContact O-N 3.2Å |
| 1495 | T | 72.1 | Confident | 66.9 | Low | 69 Ų | 69 | 76.8 Ų | 76.8 | 42% | 0.423 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 118.6 | -174.7 | 56.4 | 0 | 0 | 0 | 0 | 112 | H1493 G1507 T1508 | H1493-T1495 PolarHBondContact O-N 2.81Å; T1495-G1507 CarbonylContact C-O 3.52Å; T1495-G1507 WeakPolarHBondContact CA-O 3.43Å; T1495-T1508 HydrophobicContact CG2-CG2 4.34Å |
| 1496 | R | 69.5 | Low | 64.8 | Low | 46 Ų | 46 | 78.1 Ų | 78.1 | 17% | 0.174 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -57.2 | 144.1 | 168.9 | -76 | -165.3 | -86.9 | 168.5 | -3.6 | 110.1 | E1000 E1453 F1494 L1498 G1507 T1508 Y1509 | E1000-R1496 IonicContact OE2-NH2 3.5Å; E1000-R1496 PolarHBondContact OE2-NH2 2.96Å; E1453-R1496 VanDerWaalsContact O-CZ 3.22Å; E1453-R1496 PolarHBondContact O-NH1 3.46Å; E1453-R1496 PolarHBondContact O-NH2 3.27Å; E1453-R1496 WeakPolarHBondContact OE1-CD 3.26Å; E1453-R1496 IonicContact OE1-CZ 3.21Å; E1453-R1496 IonicContact OE1-NE 2.88Å; E1453-R1496 IonicContact OE1-NH1 3.94Å; E1453-R1496 PolarHBondContact OE1-NH1 3Å; F1494-R1496 PolarHBondContact O-N 3.37Å; R1496-L1498 PolarHBondContact O-N 3.09Å; R1496-G1507 PolarHBondContact N-O 2.91Å; R1496-T1508 PolarHBondContact NE-O 3.42Å; R1496-Y1509 HydrophobicContact CB-CE2 4.49Å; R1496-Y1509 HydrophobicContact CG-CD1 3.59Å; R1496-Y1509 HydrophobicContact CG-CD2 3.79Å; R1496-Y1509 HydrophobicContact CG-CE1 3.53Å; R1496-Y1509 HydrophobicContact CG-CE2 3.73Å; R1496-Y1509 HydrophobicContact CG-CG 3.73Å |
| 1497 | H | 60.2 | Low | 63.5 | Low | 131 Ų | 131 | 75.4 Ų | 75.4 | 61% | 0.606 | 38% | 0.38 | S | S | * | . | trans | -83.8 | 42.5 | -167.5 | -146.2 | -102.9 | 0 | 0 | 0 | 114.4 | T1499 | H1497-T1499 PolarHBondContact O-N 2.96Š| ||
| 1498 | L | 50.3 | Low | 63.1 | Low | 93 Ų | 93 | 76 Ų | 76 | 49% | 0.487 | 38% | 0.383 | S | S | . | . | trans | 9.8 | 85.9 | 179 | -70.5 | 174.8 | 0 | 0 | 0 | 115.7 | K444 R1496 | K444-L1498 PolarHBondContact NZ-O 2.84Å; R1496-L1498 PolarHBondContact O-N 3.09Å | ||
| 1499 | T | 47.3 | Very low | 63.1 | Low | 83 Ų | 83 | 77.5 Ų | 77.5 | 51% | 0.509 | 39% | 0.388 | S | S | . | . | trans | -56.6 | 164.4 | 145.4 | 53.8 | 0 | 0 | 0 | 0 | 109.3 | H1497 | H1497-T1499 PolarHBondContact O-N 2.96Š| ||
| 1500 | R | 39 | Very low | 63.1 | Low | 63 Ų | 63 | 77.3 Ų | 77.3 | 24% | 0.238 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -103.4 | 8.1 | -144.4 | -136 | -174.8 | -170.7 | 108.1 | -13.3 | 117.3 | N445 D979 N981 | N445-R1500 PolarHBondContact OD1-NH1 3.19Å; N445-R1500 PolarHBondContact OD1-NH2 3.36Å; D979-R1500 IonicContact OD2-NH1 3.25Å; N981-R1500 PolarHBondContact OD1-NE 3.28Å; N981-R1500 PolarHBondContact OD1-NH1 2.97Å; N981-R1500 PolarHBondContact OD1-NH2 3.11Å |
| 1501 | K | 38.7 | Very low | 63.2 | Low | 119 Ų | 119 | 74 Ų | 74 | 52% | 0.517 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -125.3 | -25.3 | -169.1 | -68.8 | -170.8 | 172.7 | -176.9 | 0 | 115.3 | E1005 N1503 | E1005-K1501 IonicContact OE1-NZ 3.59Å; E1005-K1501 PolarHBondContact OE1-NZ 2.87Å; E1005-K1501 IonicContact OE2-NZ 2.68Å; E1005-K1501 PolarHBondContact OE2-NZ 3.44Å; K1501-N1503 PolarHBondContact O-N 3.2Å |
| 1502 | C | 33.5 | Very low | 63.5 | Low | 47 Ų | 47 | 68.9 Ų | 68.9 | 32% | 0.318 | 36% | 0.356 | S | S | . | . | trans | -65.3 | 125.9 | 172.3 | -23.7 | 0 | 0 | 0 | 0 | 109.5 | E1001 | E1001-C1502 HydrophobicContact CB-CB 4.02Å; E1001-C1502 PolarHBondContact O-SG 3.06Å; E1001-C1502 VanDerWaalsContact OE2-CA 3.29Å; E1001-C1502 WeakPolarHBondContact OE2-CA 3.41Å | ||
| 1503 | N | 30.7 | Very low | 63.9 | Low | 152 Ų | 152 | 68.9 Ų | 68.9 | 81% | 0.813 | 36% | 0.356 | S | S | * | . | trans | -133.3 | 0.4 | -171.2 | -154.2 | 38.1 | 0 | 0 | 0 | 112.7 | E1001 K1501 | E1001-N1503 PolarHBondContact OE2-N 2.85Å; K1501-N1503 PolarHBondContact O-N 3.2Å | ||
| 1504 | V | 36.8 | Very low | 64.7 | Low | 99 Ų | 99 | 60.5 Ų | 60.5 | 60% | 0.6 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -102.7 | 149.8 | 163.3 | -166.5 | 0 | 0 | 0 | 0 | 108.9 | E1001 S1506 | E1001-V1504 PolarHBondContact OE2-N 2.83Å; V1504-S1506 VanDerWaalsContact C-N 3.33Å; V1504-S1506 PolarHBondContact O-N 3.13Å |
| 1505 | D | 42.7 | Very low | 65.4 | Low | 83 Ų | 83 | 56 Ų | 56 | 44% | 0.444 | 30% | 0.299 | S | S | . | . | S | Bend | trans | 45.3 | 38.5 | 167.6 | -65.3 | -2.2 | 0 | 0 | 0 | 120.7 | V1455 G1507 | V1455-D1505 HydrophobicContact CG2-CB 3.92Å; D1505-G1507 PolarHBondContact O-N 2.97Å |
| 1506 | S | 47.2 | Very low | 66.5 | Low | 73 Ų | 73 | 52.9 Ų | 52.9 | 51% | 0.51 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | 70.6 | 14.4 | 119.1 | 70.7 | 0 | 0 | 0 | 0 | 119.3 | R1491 V1504 T1508 | R1491-S1506 PolarHBondContact NH1-OG 3.25Å; R1491-S1506 PolarHBondContact NH2-O 3.46Å; R1491-S1506 PolarHBondContact NH2-OG 3.17Å; V1504-S1506 VanDerWaalsContact C-N 3.33Å; V1504-S1506 PolarHBondContact O-N 3.13Å; S1506-T1508 PolarHBondContact O-N 2.9Å | |
| 1507 | G | 62 | Low | 67.7 | Low | 12 Ų | 12 | 57.2 Ų | 57.2 | 12% | 0.124 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.8 | 36.8 | 149.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | T1495 R1496 D1505 | T1495-G1507 CarbonylContact C-O 3.52Å; T1495-G1507 WeakPolarHBondContact CA-O 3.43Å; R1496-G1507 PolarHBondContact N-O 2.91Å; D1505-G1507 PolarHBondContact O-N 2.97Å |
| 1508 | T | 82.1 | Confident | 69.3 | Low | 15 Ų | 15 | 51 Ų | 51 | 9% | 0.092 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 163 | 159.9 | 54.4 | 0 | 0 | 0 | 0 | 110.5 | R1491 N1492 F1494 T1495 R1496 S1506 | R1491-T1508 VanDerWaalsContact CZ-OG1 3.28Å; R1491-T1508 PolarHBondContact NE-OG1 3.47Å; R1491-T1508 PolarHBondContact NH2-OG1 3.44Å; N1492-T1508 WeakPolarHBondContact O-CB 3.36Å; F1494-T1508 CarbonylContact O-C 3.59Å; F1494-T1508 WeakPolarHBondContact O-CA 3.49Å; F1494-T1508 WeakPolarHBondContact O-CB 3.34Å; T1495-T1508 HydrophobicContact CG2-CG2 4.34Å; R1496-T1508 PolarHBondContact NE-O 3.42Å; S1506-T1508 PolarHBondContact O-N 2.9Å |
| 1509 | Y | 90.5 | Very high | 71.1 | Confident | 53 Ų | 53 | 48.7 Ų | 48.7 | 21% | 0.208 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 171.9 | 164.2 | -67.7 | -75.3 | 0 | 0 | 0 | 110.7 | I1429 N1451 C1452 E1453 N1492 F1494 R1496 | I1429-Y1509 HydrophobicContact CD1-CE1 4.01Å; N1451-Y1509 HydrophobicContact CB-CD1 4.14Å; N1451-Y1509 HydrophobicContact CB-CE1 4.22Å; N1451-Y1509 HydrophobicContact CB-CG 4.46Å; N1451-Y1509 WeakPolarHBondContact O-CD1 3.33Å; C1452-Y1509 WeakPolarHBondContact O-CA 3.39Å; C1452-Y1509 WeakPolarHBondContact O-CD1 3.29Å; E1453-Y1509 HydrophobicContact CG-CD1 4.22Å; E1453-Y1509 HydrophobicContact CG-CE1 4.13Å; N1492-Y1509 VanDerWaalsContact CG-O 3.32Å; N1492-Y1509 PolarHBondContact N-O 3.49Å; N1492-Y1509 PolarHBondContact OD1-O 2.83Å; F1494-Y1509 HydrophobicContact CB-CD2 3.93Å; F1494-Y1509 PolarHBondContact O-N 3.2Å; R1496-Y1509 HydrophobicContact CB-CE2 4.49Å; R1496-Y1509 HydrophobicContact CG-CD1 3.59Å; R1496-Y1509 HydrophobicContact CG-CD2 3.79Å; R1496-Y1509 HydrophobicContact CG-CE1 3.53Å; R1496-Y1509 HydrophobicContact CG-CE2 3.73Å; R1496-Y1509 HydrophobicContact CG-CG 3.73Å |
| 1510 | Y | 92.5 | Very high | 73.3 | Confident | 13 Ų | 13 | 47.8 Ų | 47.8 | 5% | 0.051 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 152.4 | 174 | -72.4 | -110.3 | 0 | 0 | 0 | 108.5 | I1450 C1452 K1454 V1455 Y1489 Y1490 R1491 N1492 | I1450-Y1510 CarbonylContact C-O 3.48Å; C1452-Y1510 WeakPolarHBondContact CB-O 3.46Å; C1452-Y1510 PolarHBondContact N-O 2.83Å; C1452-Y1510 VanDerWaalsContact N-O 3.11Å; C1452-Y1510 PolarHBondContact O-N 3.37Å; K1454-Y1510 VanDerWaalsContact O-CD2 3.25Å; K1454-Y1510 WeakPolarHBondContact O-CD2 3.27Å; V1455-Y1510 WeakPolarHBondContact O-CE1 3.08Å; Y1489-Y1510 HydrophobicContact CD1-CD1 4.25Å; Y1489-Y1510 AromaticContact CE1-CD1 3.75Å; Y1489-Y1510 HydrophobicContact CE1-CD1 3.75Å; Y1489-Y1510 AromaticContact CE1-CG 3.95Å; Y1489-Y1510 HydrophobicContact CE1-CG 3.95Å; Y1490-Y1510 CarbonylContact O-C 3.52Å; Y1490-Y1510 WeakPolarHBondContact O-CA 3.4Å; R1491-Y1510 VanDerWaalsContact CA-CD1 3.46Å; R1491-Y1510 HydrophobicContact CB-CD1 3.89Å; R1491-Y1510 HydrophobicContact CB-CE1 3.51Å; R1491-Y1510 HydrophobicContact CG-CD1 4.43Å; R1491-Y1510 HydrophobicContact CG-CE1 3.95Å; R1491-Y1510 HydrophobicContact CG-CE2 4.2Å; N1492-Y1510 PolarHBondContact ND2-O 2.72Å |
| 1511 | T | 94.7 | Very high | 75.9 | Confident | 3 Ų | 3 | 47.6 Ų | 47.6 | 2% | 0.018 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 127 | 175.5 | -59.9 | 0 | 0 | 0 | 0 | 109.7 | N1448 I1449 I1450 Y1489 Y1490 N1492 T1513 | N1448-T1511 HydrophobicContact CB-CG2 3.9Å; I1449-T1511 VanDerWaalsContact O-CA 3.25Å; I1449-T1511 WeakPolarHBondContact O-CA 3.5Å; I1450-T1511 HydrophobicContact CG2-CG2 4.15Å; Y1489-T1511 WeakPolarHBondContact CA-O 3.5Å; Y1490-T1511 HydrophobicContact CE1-CG2 3.94Å; Y1490-T1511 PolarHBondContact N-O 3.15Å; Y1490-T1511 PolarHBondContact O-N 3.29Å; N1492-T1511 WeakPolarHBondContact CB-OG1 3.46Å; N1492-T1511 PolarHBondContact ND2-N 2.91Å; N1492-T1511 PolarHBondContact ND2-OG1 2.92Å; T1511-T1513 WeakPolarHBondContact CG2-OG1 3.01Å |
| 1512 | A | 95.1 | Very high | 78.4 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.008 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 115.5 | 158.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | N1448 I1449 F1459 Y1489 | N1448-A1512 CarbonylContact C-O 3.5Å; N1448-A1512 WeakPolarHBondContact CA-O 3.39Å; I1449-A1512 HydrophobicContact CB-CB 4.29Å; I1449-A1512 PolarHBondContact N-O 3.03Å; I1449-A1512 PolarHBondContact O-N 3.5Å; I1449-A1512 VanDerWaalsContact O-N 3.1Å; F1459-A1512 HydrophobicContact CD2-CB 4.07Å; F1459-A1512 HydrophobicContact CE2-CB 4.17Å; Y1489-A1512 HydrophobicContact CD2-CB 3.78Å; Y1489-A1512 HydrophobicContact CE2-CB 4.25Å |
| 1513 | T | 95.6 | Very high | 81.4 | Confident | 11 Ų | 11 | 39.7 Ų | 39.7 | 7% | 0.067 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 137.1 | 173.5 | -71.1 | 0 | 0 | 0 | 0 | 109.5 | R1446 F1447 N1448 I1487 I1488 Y1490 T1511 | R1446-T1513 HydrophobicContact CG-CG2 3.9Å; F1447-T1513 WeakPolarHBondContact O-CA 3.29Å; N1448-T1513 WeakPolarHBondContact OD1-CG2 3.47Å; N1448-T1513 PolarHBondContact OD1-OG1 2.89Å; I1487-T1513 WeakPolarHBondContact CA-O 3.45Å; I1488-T1513 HydrophobicContact CG2-CG2 4.41Å; I1488-T1513 PolarHBondContact N-O 3.42Å; I1488-T1513 PolarHBondContact O-N 2.91Å; Y1490-T1513 WeakPolarHBondContact CE1-OG1 3.36Å; Y1490-T1513 PolarHBondContact OH-OG1 3.12Å; T1511-T1513 WeakPolarHBondContact CG2-OG1 3.01Å |
| 1514 | F | 95.9 | Very high | 84.5 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 153.4 | 170.1 | 51.4 | -98.2 | 0 | 0 | 0 | 111.1 | F1432 F1447 I1449 P1465 I1487 I1516 L1527 | F1432-F1514 HydrophobicContact CZ-CE1 4.35Å; F1432-F1514 HydrophobicContact CZ-CZ 4.42Å; F1447-F1514 HydrophobicContact CB-CD2 4.05Å; F1447-F1514 HydrophobicContact CB-CE2 3.64Å; F1447-F1514 HydrophobicContact CB-CZ 4Å; F1447-F1514 HydrophobicContact CD2-CD2 4.1Å; F1447-F1514 AromaticContact CD2-CE2 3.8Å; F1447-F1514 HydrophobicContact CD2-CE2 3.8Å; F1447-F1514 AromaticContact CG-CE2 3.99Å; F1447-F1514 HydrophobicContact CG-CE2 3.99Å; F1447-F1514 PolarHBondContact N-O 3.47Å; F1447-F1514 PolarHBondContact O-N 3.04Å; I1449-F1514 HydrophobicContact CD1-CE1 4Å; I1449-F1514 HydrophobicContact CD1-CZ 4.38Å; I1449-F1514 HydrophobicContact CG1-CE1 4.36Å; P1465-F1514 HydrophobicContact CG-CD1 4.29Å; P1465-F1514 HydrophobicContact CG-CD2 4.02Å; P1465-F1514 HydrophobicContact CG-CE1 4.47Å; P1465-F1514 HydrophobicContact CG-CE2 4.2Å; P1465-F1514 HydrophobicContact CG-CG 4.06Å; P1465-F1514 HydrophobicContact CG-CZ 4.42Å; I1487-F1514 HydrophobicContact CG1-CB 3.96Å; F1514-I1516 HydrophobicContact CD2-CD1 3.88Å; F1514-I1516 HydrophobicContact CD2-CG1 4.04Å; F1514-I1516 HydrophobicContact CE2-CD1 3.83Å; F1514-I1516 HydrophobicContact CE2-CG1 4.46Å; F1514-L1527 HydrophobicContact CE2-CD1 4.1Å |
| 1515 | T | 96.1 | Very high | 87.3 | Confident | 10 Ų | 10 | 28 Ų | 28 | 6% | 0.061 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 120 | -179.7 | -60.7 | 0 | 0 | 0 | 0 | 110.8 | Y1445 G1484 S1485 | Y1445-T1515 CarbonylContact O-C 3.56Å; Y1445-T1515 VanDerWaalsContact O-CA 3.28Å; Y1445-T1515 WeakPolarHBondContact O-CA 3.48Å; G1484-T1515 CarbonylContact C-O 3.58Å; G1484-T1515 WeakPolarHBondContact CA-O 3.26Å; S1485-T1515 PolarHBondContact N-O 3.36Å; S1485-T1515 PolarHBondContact O-N 3.02Å; S1485-T1515 PolarHBondContact OG-O 2.89Å |
| 1516 | I | 95.8 | Very high | 89.9 | Confident | 3 Ų | 3 | 24 Ų | 24 | 2% | 0.015 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 141.1 | -179.2 | -62.5 | 176.1 | 0 | 0 | 0 | 109.1 | Y1445 F1447 L1467 V1483 F1514 F1518 L1527 | Y1445-I1516 PolarHBondContact N-O 3.2Å; Y1445-I1516 PolarHBondContact O-N 3.31Å; F1447-I1516 HydrophobicContact CD2-CD1 4.47Å; F1447-I1516 HydrophobicContact CE2-CB 4.26Å; F1447-I1516 HydrophobicContact CE2-CD1 4.45Å; L1467-I1516 HydrophobicContact CD2-CG2 4.45Å; V1483-I1516 HydrophobicContact CG2-CD1 3.99Å; V1483-I1516 HydrophobicContact CG2-CG1 4.17Å; V1483-I1516 HydrophobicContact CG2-CG2 4.36Å; F1514-I1516 HydrophobicContact CD2-CD1 3.88Å; F1514-I1516 HydrophobicContact CD2-CG1 4.04Å; F1514-I1516 HydrophobicContact CE2-CD1 3.83Å; F1514-I1516 HydrophobicContact CE2-CG1 4.46Å; I1516-F1518 HydrophobicContact CB-CZ 4.42Å; I1516-F1518 HydrophobicContact CG2-CD1 4.06Å; I1516-F1518 HydrophobicContact CG2-CE1 3.79Å; I1516-F1518 HydrophobicContact CG2-CE2 4.33Å; I1516-F1518 HydrophobicContact CG2-CG 4.45Å; I1516-F1518 HydrophobicContact CG2-CZ 3.92Å; I1516-L1527 HydrophobicContact CD1-CD1 3.84Å; I1516-L1527 HydrophobicContact CD1-CD2 3.55Å; I1516-L1527 HydrophobicContact CD1-CG 4.4Å |
| 1517 | R | 95.3 | Very high | 92.3 | Very high | 137 Ų | 137 | 20.5 Ų | 20.5 | 52% | 0.517 | 10% | 0.1 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 98.9 | 178.9 | -161.7 | -173.1 | 86 | 100.9 | 9.1 | 108.5 | N1442 I1443 | N1442-R1517 VanDerWaalsContact CB-NH1 3.26Å; N1442-R1517 VanDerWaalsContact O-CD 3.31Å; N1442-R1517 WeakPolarHBondContact O-CD 3.44Å; N1442-R1517 WeakPolarHBondContact O-CG 3.45Å; N1442-R1517 PolarHBondContact O-NH1 2.87Å; N1442-R1517 VanDerWaalsContact OD1-CZ 3.22Å; N1442-R1517 PolarHBondContact OD1-NH1 3.46Å; N1442-R1517 PolarHBondContact OD1-NH2 3.17Å; I1443-R1517 WeakPolarHBondContact O-CA 3.46Å; I1443-R1517 WeakPolarHBondContact O-CG 3.37Å |
| 1518 | F | 93.6 | Very high | 94 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 9% | 0.094 | C | C | . | . | trans | -68.6 | 137.7 | -173.2 | -62.3 | -76.6 | 0 | 0 | 0 | 111 | I1436 M1439 S1441 N1442 Y1445 F1447 L1467 I1516 C1525 | I1436-F1518 HydrophobicContact CD1-CZ 3.96Å; M1439-F1518 HydrophobicContact CB-CB 4.36Å; M1439-F1518 HydrophobicContact CB-CD2 3.86Å; M1439-F1518 HydrophobicContact CB-CE2 4.44Å; M1439-F1518 HydrophobicContact CB-CG 4.17Å; M1439-F1518 HydrophobicContact CG-CB 3.84Å; M1439-F1518 HydrophobicContact CG-CD2 4.14Å; M1439-F1518 HydrophobicContact CG-CG 3.92Å; M1439-F1518 HydrophobicContact SD-CB 3.97Å; M1439-F1518 HydrophobicContact SD-CD1 3.6Å; M1439-F1518 VanDerWaalsContact SD-CD1 3.6Å; M1439-F1518 HydrophobicContact SD-CD2 4.09Å; M1439-F1518 HydrophobicContact SD-CE1 4.08Å; M1439-F1518 HydrophobicContact SD-CG 3.61Å; S1441-F1518 CarbonylContact C-O 3.54Å; S1441-F1518 WeakPolarHBondContact CA-O 3.47Å; N1442-F1518 PolarHBondContact N-O 2.91Å; Y1445-F1518 AromaticContact CD2-CD2 3.54Å; Y1445-F1518 HydrophobicContact CD2-CD2 3.54Å; Y1445-F1518 AromaticContact CD2-CE2 3.76Å; Y1445-F1518 HydrophobicContact CD2-CE2 3.76Å; Y1445-F1518 AromaticContact CE2-CD2 3.93Å; Y1445-F1518 HydrophobicContact CE2-CD2 3.93Å; Y1445-F1518 HydrophobicContact CE2-CE2 4.42Å; Y1445-F1518 HydrophobicContact CG-CD2 4.2Å; Y1445-F1518 AromaticContact CG-CE2 3.93Å; Y1445-F1518 HydrophobicContact CG-CE2 3.93Å; F1447-F1518 HydrophobicContact CE2-CE2 4.18Å; F1447-F1518 HydrophobicContact CE2-CZ 4.06Å; F1447-F1518 HydrophobicContact CZ-CE2 4.07Å; F1447-F1518 AromaticContact CZ-CZ 3.99Å; F1447-F1518 HydrophobicContact CZ-CZ 3.99Å; L1467-F1518 HydrophobicContact CD1-CD1 4.45Å; L1467-F1518 HydrophobicContact CD1-CE1 3.99Å; I1516-F1518 HydrophobicContact CB-CZ 4.42Å; I1516-F1518 HydrophobicContact CG2-CD1 4.06Å; I1516-F1518 HydrophobicContact CG2-CE1 3.79Å; I1516-F1518 HydrophobicContact CG2-CE2 4.33Å; I1516-F1518 HydrophobicContact CG2-CG 4.45Å; I1516-F1518 HydrophobicContact CG2-CZ 3.92Å; F1518-C1525 HydrophobicContact CD1-CB 4.21Å; F1518-C1525 HydrophobicContact CE1-CB 3.92Å | ||
| 1519 | P | 88.6 | Confident | 94.7 | Very high | 46 Ų | 46 | 19.4 Ų | 19.4 | 30% | 0.299 | 9% | 0.091 | S | C | . | . | S | Bend | trans | -76.2 | -31.1 | -175.7 | 22.2 | -26.1 | 0 | 0 | 0 | 114.2 | S1441 | S1441-P1519 VanDerWaalsContact CB-O 3.26Å; S1441-P1519 WeakPolarHBondContact CB-O 3.46Å |
| 1520 | Y | 92.9 | Very high | 94.9 | Very high | 63 Ų | 63 | 16.9 Ų | 16.9 | 25% | 0.247 | 8% | 0.081 | C | C | . | . | S | Bend | trans | -122.9 | 149.2 | -174.2 | -48.9 | -87.4 | 0 | 0 | 0 | 112.2 | H1471 E1472 Q1475 | H1471-Y1520 HydrophobicContact CB-CD2 4.03Å; H1471-Y1520 HydrophobicContact CB-CG 4.26Å; H1471-Y1520 AromaticContact CD2-CD1 3.29Å; H1471-Y1520 WeakPolarHBondContact CD2-CD1 3.49Å; H1471-Y1520 AromaticContact CD2-CD2 3.67Å; H1471-Y1520 AromaticContact CD2-CE1 3.39Å; H1471-Y1520 WeakPolarHBondContact CD2-CE1 3.46Å; H1471-Y1520 AromaticContact CD2-CE2 3.83Å; H1471-Y1520 AromaticContact CD2-CG 3.42Å; H1471-Y1520 VanDerWaalsContact CD2-CG 3.42Å; H1471-Y1520 AromaticContact CD2-CZ 3.67Å; H1471-Y1520 AromaticContact CG-CG 3.83Å; H1471-Y1520 AromaticContact NE2-CD1 3.34Å; H1471-Y1520 VanDerWaalsContact NE2-CD1 3.34Å; H1471-Y1520 WeakPolarHBondContact NE2-CD1 3.12Å; H1471-Y1520 AromaticContact NE2-CE1 3.56Å; H1471-Y1520 AromaticContact NE2-CG 3.87Å; E1472-Y1520 HydrophobicContact CG-CD2 4.49Å; E1472-Y1520 HydrophobicContact CG-CE2 3.56Å; Q1475-Y1520 PolarHBondContact OE1-OH 3.06Å |
| 1521 | T | 93.7 | Very high | 95 | Very high | 59 Ų | 59 | 16.3 Ų | 16.3 | 36% | 0.362 | 8% | 0.078 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | 135.6 | 176.3 | -62 | 0 | 0 | 0 | 0 | 108.8 | F1386 M1439 S1441 D1523 | F1386-T1521 HydrophobicContact CB-CG2 3.97Å; F1386-T1521 HydrophobicContact CD1-CG2 3.52Å; F1386-T1521 HydrophobicContact CD2-CG2 3.94Å; F1386-T1521 HydrophobicContact CE1-CG2 3.95Å; F1386-T1521 HydrophobicContact CE2-CG2 4.37Å; F1386-T1521 HydrophobicContact CG-CG2 3.52Å; F1386-T1521 HydrophobicContact CZ-CG2 4.38Å; M1439-T1521 CarbonylContact O-C 3.52Å; M1439-T1521 WeakPolarHBondContact O-CA 3.5Å; S1441-T1521 WeakPolarHBondContact CB-OG1 3.36Å; S1441-T1521 PolarHBondContact N-OG1 3.05Å; S1441-T1521 PolarHBondContact OG-OG1 3.06Å; T1521-D1523 PolarHBondContact O-N 3.38Å |
| 1522 | G | 92 | Very high | 95.1 | Very high | 1 Ų | 1 | 16.4 Ų | 16.4 | 1% | 0.01 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.5 | 24.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | G1384 M1439 | G1384-G1522 PolarHBondContact N-O 3.27Å; M1439-G1522 PolarHBondContact O-N 2.96Å |
| 1523 | D | 94.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 8% | 0.079 | C | C | . | . | trans | -71.6 | 166.1 | 171.4 | -163 | 1.2 | 0 | 0 | 0 | 111.1 | M1439 S1469 H1471 T1521 C1525 | M1439-D1523 WeakPolarHBondContact CE-O 3.45Å; M1439-D1523 HydrophobicContact CG-CB 4.39Å; M1439-D1523 HydrophobicContact SD-CB 3.96Å; S1469-D1523 WeakPolarHBondContact CB-OD2 3.37Å; S1469-D1523 VanDerWaalsContact OG-CG 3.3Å; S1469-D1523 PolarHBondContact OG-OD1 3.13Å; S1469-D1523 PolarHBondContact OG-OD2 3.42Å; H1471-D1523 HydrophobicContact CB-CB 4.47Å; H1471-D1523 WeakPolarHBondContact CB-OD1 3.27Å; H1471-D1523 PolarHBondContact N-OD1 2.92Å; T1521-D1523 PolarHBondContact O-N 3.38Å; D1523-C1525 PolarHBondContact OD2-SG 2.83Å; D1523-C1525 VanDerWaalsContact OD2-SG 3.33Å | ||
| 1524 | I | 96.1 | Very high | 95.2 | Very high | 4 Ų | 4 | 16 Ų | 16 | 2% | 0.021 | 8% | 0.076 | C | C | . | . | trans | -115 | 121.8 | 161.5 | -66.8 | -170.6 | 0 | 0 | 0 | 108.1 | D1379 L1382 I1383 R1435 V1470 Y1526 | D1379-I1524 HydrophobicContact CB-CB 4.46Å; D1379-I1524 HydrophobicContact CB-CD1 3.86Å; D1379-I1524 HydrophobicContact CB-CG2 4.16Å; L1382-I1524 HydrophobicContact CB-CD1 3.57Å; L1382-I1524 HydrophobicContact CD1-CD1 4.05Å; L1382-I1524 HydrophobicContact CG-CD1 4.45Å; I1383-I1524 HydrophobicContact CD1-CB 3.88Å; I1383-I1524 HydrophobicContact CD1-CG1 4.02Å; R1435-I1524 HydrophobicContact CG-CG2 3.58Å; V1470-I1524 HydrophobicContact CB-CB 4.27Å; V1470-I1524 WeakPolarHBondContact CB-O 3.49Å; V1470-I1524 HydrophobicContact CG2-CB 4.07Å; V1470-I1524 HydrophobicContact CG2-CG2 3.99Å; V1470-I1524 WeakPolarHBondContact CG2-O 3.34Å; V1470-I1524 PolarHBondContact N-O 3.35Å; I1524-Y1526 HydrophobicContact CG2-CD2 4.5Å; I1524-Y1526 HydrophobicContact CG2-CE2 3.97Å | ||
| 1525 | C | 96.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 145.8 | -174.5 | -84.8 | 0 | 0 | 0 | 0 | 110.5 | R1435 I1436 M1439 L1467 F1468 F1518 D1523 | R1435-C1525 CarbonylContact C-O 3.47Å; R1435-C1525 WeakPolarHBondContact CA-O 3.2Å; I1436-C1525 PolarHBondContact N-O 3.25Å; I1436-C1525 PolarHBondContact O-N 3.27Å; M1439-C1525 HydrophobicContact CE-CB 4.34Å; M1439-C1525 HydrophobicContact SD-CB 4.03Å; L1467-C1525 HydrophobicContact CD1-CB 3.69Å; F1468-C1525 CarbonylContact O-C 3.52Å; F1468-C1525 VanDerWaalsContact O-CA 3.27Å; F1468-C1525 WeakPolarHBondContact O-CA 3.36Å; F1518-C1525 HydrophobicContact CD1-CB 4.21Å; F1518-C1525 HydrophobicContact CE1-CB 3.92Å; D1523-C1525 PolarHBondContact OD2-SG 2.83Å; D1523-C1525 VanDerWaalsContact OD2-SG 3.33Å |
| 1526 | Y | 97.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 130.6 | 174.7 | -75.2 | -98.1 | 0 | 0 | 0 | 109.9 | M1120 A1122 Y1123 P1124 D1379 F1399 Y1433 F1434 R1435 L1467 F1468 V1470 I1524 | M1120-Y1526 WeakPolarHBondContact CE-OH 3.18Å; A1122-Y1526 HydrophobicContact CB-CD1 4.29Å; A1122-Y1526 HydrophobicContact CB-CE1 3.57Å; Y1123-Y1526 PolarHBondContact N-OH 2.89Å; P1124-Y1526 HydrophobicContact CG-CD1 4.3Å; P1124-Y1526 HydrophobicContact CG-CD2 3.74Å; P1124-Y1526 HydrophobicContact CG-CE2 4.25Å; P1124-Y1526 HydrophobicContact CG-CG 3.76Å; D1379-Y1526 WeakPolarHBondContact OD2-CE2 3.25Å; D1379-Y1526 PolarHBondContact OD2-OH 3.04Å; F1399-Y1526 HydrophobicContact CE1-CE1 4.04Å; F1399-Y1526 HydrophobicContact CE2-CE1 4.46Å; F1399-Y1526 HydrophobicContact CZ-CD1 4.07Å; F1399-Y1526 AromaticContact CZ-CE1 3.82Å; F1399-Y1526 HydrophobicContact CZ-CE1 3.82Å; Y1433-Y1526 AromaticContact CE2-CD1 3.76Å; Y1433-Y1526 HydrophobicContact CE2-CD1 3.76Å; Y1433-Y1526 HydrophobicContact CE2-CG 4.43Å; F1434-Y1526 WeakPolarHBondContact O-CA 3.48Å; R1435-Y1526 HydrophobicContact CB-CD1 4.04Å; R1435-Y1526 HydrophobicContact CB-CE1 3.74Å; R1435-Y1526 HydrophobicContact CG-CD1 4.26Å; R1435-Y1526 HydrophobicContact CG-CD2 4.27Å; R1435-Y1526 HydrophobicContact CG-CE1 3.84Å; R1435-Y1526 HydrophobicContact CG-CE2 3.84Å; R1435-Y1526 HydrophobicContact CG-CG 4.47Å; L1467-Y1526 WeakPolarHBondContact CA-O 3.28Å; F1468-Y1526 PolarHBondContact N-O 3.04Å; F1468-Y1526 PolarHBondContact O-N 3.13Å; V1470-Y1526 HydrophobicContact CG2-CD2 4.4Å; V1470-Y1526 HydrophobicContact CG2-CE2 4.12Å; I1524-Y1526 HydrophobicContact CG2-CD2 4.5Å; I1524-Y1526 HydrophobicContact CG2-CE2 3.97Å |
| 1527 | L | 97.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 133 | 173.6 | -65.8 | -171.4 | 0 | 0 | 0 | 111.1 | Y1433 F1434 I1436 F1447 L1466 L1467 F1514 I1516 | Y1433-L1527 VanDerWaalsContact CA-O 3.31Å; Y1433-L1527 WeakPolarHBondContact CA-O 3.34Å; F1434-L1527 HydrophobicContact CD2-CB 4.5Å; F1434-L1527 HydrophobicContact CE1-CB 4.39Å; F1434-L1527 HydrophobicContact CE2-CB 4.06Å; F1434-L1527 HydrophobicContact CE2-CD1 3.94Å; F1434-L1527 HydrophobicContact CE2-CG 4.34Å; F1434-L1527 HydrophobicContact CZ-CB 3.98Å; F1434-L1527 HydrophobicContact CZ-CD1 3.93Å; F1434-L1527 PolarHBondContact N-O 3.46Å; F1434-L1527 PolarHBondContact O-N 2.87Å; I1436-L1527 HydrophobicContact CD1-CD1 3.64Å; I1436-L1527 HydrophobicContact CD1-CG 3.89Å; F1447-L1527 HydrophobicContact CE2-CD1 4.45Å; L1466-L1527 WeakPolarHBondContact O-CA 3.29Å; L1466-L1527 WeakPolarHBondContact O-CD2 3.44Å; L1467-L1527 HydrophobicContact CB-CD2 4.08Å; L1467-L1527 HydrophobicContact CD1-CD2 3.62Å; L1467-L1527 HydrophobicContact CG-CD2 4.48Å; F1514-L1527 HydrophobicContact CE2-CD1 4.1Å; I1516-L1527 HydrophobicContact CD1-CD1 3.84Å; I1516-L1527 HydrophobicContact CD1-CD2 3.55Å; I1516-L1527 HydrophobicContact CD1-CG 4.4Å |
| 1528 | A | 97.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 5% | 0.05 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 149.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | F1432 Y1433 L1466 W1480 P1532 | F1432-A1528 WeakPolarHBondContact O-CA 3.38Å; Y1433-A1528 HydrophobicContact CD2-CB 3.98Å; Y1433-A1528 HydrophobicContact CG-CB 4.47Å; L1466-A1528 HydrophobicContact CB-CB 4.47Å; L1466-A1528 PolarHBondContact N-O 3.17Å; L1466-A1528 PolarHBondContact O-N 3.24Å; L1466-A1528 VanDerWaalsContact O-N 3.13Å; W1480-A1528 HydrophobicContact CH2-CB 3.91Å; W1480-A1528 HydrophobicContact CZ3-CB 3.91Å; A1528-P1532 HydrophobicContact CB-CG 4.23Å |
| 1529 | Y | 96.3 | Very high | 95.3 | Very high | 4 Ų | 4 | 9.5 Ų | 9.5 | 2% | 0.016 | 5% | 0.05 | C | C | . | . | S | Bend | trans | -65.9 | -41.2 | 174.4 | 177.5 | -99.7 | 0 | 0 | 0 | 111.7 | Q1430 W1431 F1432 F1459 M1463 Y1792 | Q1430-Y1529 HydrophobicContact CG-CE2 4.21Å; Q1430-Y1529 PolarHBondContact NE2-OH 3.25Å; Q1430-Y1529 VanDerWaalsContact NE2-OH 3.09Å; W1431-Y1529 HydrophobicContact CE3-CD1 4.21Å; F1432-Y1529 HydrophobicContact CD1-CD2 4.15Å; F1432-Y1529 HydrophobicContact CD1-CG 4.44Å; F1432-Y1529 AromaticContact CE1-CD2 3.75Å; F1432-Y1529 HydrophobicContact CE1-CD2 3.75Å; F1432-Y1529 HydrophobicContact CE1-CG 4.31Å; F1432-Y1529 HydrophobicContact CZ-CD2 4.47Å; F1432-Y1529 PolarHBondContact O-N 3.02Å; F1459-Y1529 HydrophobicContact CE2-CD2 4.36Å; F1459-Y1529 HydrophobicContact CE2-CE2 4.07Å; F1459-Y1529 HydrophobicContact CZ-CD2 4.19Å; F1459-Y1529 HydrophobicContact CZ-CE2 4.18Å; M1463-Y1529 HydrophobicContact CE-CD2 4.29Å; M1463-Y1529 HydrophobicContact CE-CE1 4.31Å; M1463-Y1529 HydrophobicContact CE-CE2 3.93Å; M1463-Y1529 WeakPolarHBondContact CE-O 3.22Å; Y1529-Y1792 HydrophobicContact CD1-CD1 4.26Å; Y1529-Y1792 HydrophobicContact CD1-CE1 4.16Å; Y1529-Y1792 AromaticContact CE1-CD1 3.67Å; Y1529-Y1792 HydrophobicContact CE1-CD1 3.67Å; Y1529-Y1792 AromaticContact CE1-CD2 3.94Å; Y1529-Y1792 HydrophobicContact CE1-CD2 3.94Å; Y1529-Y1792 AromaticContact CE1-CE1 3.7Å; Y1529-Y1792 HydrophobicContact CE1-CE1 3.7Å; Y1529-Y1792 AromaticContact CE1-CE2 3.99Å; Y1529-Y1792 HydrophobicContact CE1-CE2 3.99Å; Y1529-Y1792 AromaticContact CE1-CG 3.74Å; Y1529-Y1792 HydrophobicContact CE1-CG 3.74Å; Y1529-Y1792 AromaticContact CE1-CZ 3.83Å |
| 1530 | H | 95.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 4% | 0.036 | C | C | . | . | S | Bend | trans | -153.7 | 168.6 | 173.4 | -162.6 | 61.7 | 0 | 0 | 0 | 109.9 | W1431 L1466 P1532 Y1792 | W1431-H1530 WeakPolarHBondContact CH2-O 3.45Å; W1431-H1530 HydrophobicContact CZ3-CB 4.28Å; L1466-H1530 VanDerWaalsContact CD1-C 3.4Å; H1530-P1532 VanDerWaalsContact O-CD 3.3Å; H1530-P1532 WeakPolarHBondContact O-CD 3.34Å; H1530-P1532 VanDerWaalsContact O-N 3.12Å; H1530-Y1792 HydrophobicContact CB-CD1 3.66Å; H1530-Y1792 HydrophobicContact CB-CE1 4.08Å; H1530-Y1792 AromaticContact CD2-CD1 3.86Å; H1530-Y1792 AromaticContact CG-CD1 3.61Å |
| 1531 | Y | 95 | Very high | 95.5 | Very high | 0 Ų | 0 | 4.5 Ų | 4.5 | 0% | 0 | 3% | 0.025 | C | C | . | . | trans | -56.2 | 119.6 | -172.5 | -55.6 | -85.5 | 0 | 0 | 0 | 109.8 | L1466 W1480 S1607 W1611 I1833 P1835 | L1466-Y1531 HydrophobicContact CD1-CD1 3.43Å; L1466-Y1531 VanDerWaalsContact CD1-CD1 3.43Å; L1466-Y1531 HydrophobicContact CD1-CD2 3.88Å; L1466-Y1531 HydrophobicContact CD1-CE1 3.63Å; L1466-Y1531 HydrophobicContact CD1-CE2 4.03Å; L1466-Y1531 HydrophobicContact CD1-CG 3.55Å; L1466-Y1531 HydrophobicContact CD2-CD1 4.2Å; L1466-Y1531 HydrophobicContact CD2-CE1 3.5Å; L1466-Y1531 HydrophobicContact CD2-CE2 4.3Å; L1466-Y1531 HydrophobicContact CG-CD1 4.48Å; L1466-Y1531 HydrophobicContact CG-CE1 4.24Å; W1480-Y1531 HydrophobicContact CB-CD1 3.72Å; W1480-Y1531 HydrophobicContact CB-CE1 3.64Å; W1480-Y1531 HydrophobicContact CG-CD1 4.06Å; W1480-Y1531 HydrophobicContact CG-CE1 4.46Å; Y1531-S1607 VanDerWaalsContact O-CB 3.28Å; Y1531-S1607 WeakPolarHBondContact O-CB 3.35Å; Y1531-S1607 PolarHBondContact O-OG 3.05Å; Y1531-W1611 PolarHBondContact O-NE1 2.86Å; Y1531-I1833 WeakPolarHBondContact CE2-O 3.4Å; Y1531-P1835 HydrophobicContact CD1-CG 3.68Å; Y1531-P1835 HydrophobicContact CD2-CG 3.84Å; Y1531-P1835 HydrophobicContact CE1-CG 3.96Å; Y1531-P1835 HydrophobicContact CE2-CG 4.13Å; Y1531-P1835 HydrophobicContact CG-CG 3.64Å | ||
| 1532 | P | 95.9 | Very high | 95.4 | Very high | 5 Ų | 5 | 1.7 Ų | 1.7 | 3% | 0.032 | 1% | 0.008 | C | C | . | . | trans | -57.1 | 152.6 | 179.1 | -27.5 | 36.9 | 0 | 0 | 0 | 112.2 | Y1433 W1480 A1528 H1530 W1611 | Y1433-P1532 HydrophobicContact CD1-CB 4.42Å; Y1433-P1532 HydrophobicContact CD1-CG 4.06Å; Y1433-P1532 HydrophobicContact CD2-CG 4.41Å; Y1433-P1532 HydrophobicContact CE1-CB 3.98Å; Y1433-P1532 HydrophobicContact CE1-CG 3.72Å; Y1433-P1532 HydrophobicContact CE2-CG 4.12Å; Y1433-P1532 HydrophobicContact CG-CG 4.39Å; W1480-P1532 HydrophobicContact CH2-CG 4.14Å; W1480-P1532 HydrophobicContact CZ2-CG 3.74Å; A1528-P1532 HydrophobicContact CB-CG 4.23Å; H1530-P1532 VanDerWaalsContact O-CD 3.3Å; H1530-P1532 WeakPolarHBondContact O-CD 3.34Å; H1530-P1532 VanDerWaalsContact O-N 3.12Å; P1532-W1611 WeakPolarHBondContact O-CZ2 3.38Å; P1532-W1611 PolarHBondContact O-NE1 3.27Å | ||
| 1533 | Y | 96.5 | Very high | 95.3 | Very high | 5 Ų | 5 | 2.5 Ų | 2.5 | 2% | 0.02 | 1% | 0.012 | C | C | . | . | trans | -148.9 | 95.6 | 163.9 | -163.5 | -88.5 | 0 | 0 | 0 | 107 | R1537 L1538 D1541 R1601 S1610 W1611 K1614 M1642 | Y1533-R1537 HydrophobicContact CD2-CG 3.99Å; Y1533-R1537 HydrophobicContact CE1-CG 4.42Å; Y1533-R1537 HydrophobicContact CE2-CG 3.53Å; Y1533-L1538 HydrophobicContact CE1-CB 3.92Å; Y1533-L1538 HydrophobicContact CE1-CD1 4.38Å; Y1533-D1541 PolarHBondContact OH-OD2 3.49Å; Y1533-R1601 PolarHBondContact O-NH2 3.07Å; Y1533-S1610 WeakPolarHBondContact CD1-OG 3.41Å; Y1533-S1610 VanDerWaalsContact CG-CB 3.44Å; Y1533-W1611 HydrophobicContact CD2-CD2 4.31Å; Y1533-W1611 AromaticContact CD2-CE2 3.98Å; Y1533-W1611 HydrophobicContact CD2-CH2 4.48Å; Y1533-W1611 HydrophobicContact CD2-CZ2 4.08Å; Y1533-K1614 HydrophobicContact CE2-CD 3.94Å; Y1533-M1642 HydrophobicContact CD1-CE 4.33Å | ||
| 1534 | T | 96.7 | Very high | 95 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 3% | 0.032 | C | C | . | . | trans | -70.1 | 159.8 | -176.2 | 55.8 | 0 | 0 | 0 | 0 | 111.5 | Y1105 D1125 E1400 C1401 T1536 R1537 L1538 | Y1105-T1534 PolarHBondContact OH-OG1 3.44Å; D1125-T1534 HydrophobicContact CB-CG2 4.27Å; E1400-T1534 HydrophobicContact CB-CG2 4.37Å; E1400-T1534 HydrophobicContact CG-CG2 4.35Å; E1400-T1534 WeakPolarHBondContact OE1-CB 3.2Å; E1400-T1534 WeakPolarHBondContact OE2-CB 3.45Å; C1401-T1534 HydrophobicContact CB-CG2 4.48Å; T1534-T1536 VanDerWaalsContact C-N 3.3Å; T1534-R1537 PolarHBondContact O-N 2.68Å; T1534-R1537 WeakPolarHBondContact OG1-CB 3.24Å; T1534-R1537 PolarHBondContact OG1-N 3.46Å; T1534-L1538 PolarHBondContact O-N 3.49Å | ||
| 1535 | Y | 97.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -69.3 | -34.1 | 169.4 | -179.8 | -118.7 | 0 | 0 | 0 | 110.4 | I1112 E1400 R1537 L1538 L1539 N1570 P1571 M1642 P1645 I1649 | I1112-Y1535 HydrophobicContact CG2-CD1 3.61Å; I1112-Y1535 HydrophobicContact CG2-CE1 3.88Å; E1400-Y1535 WeakPolarHBondContact OE1-CA 3.4Å; E1400-Y1535 VanDerWaalsContact OE1-CB 3.32Å; E1400-Y1535 WeakPolarHBondContact OE1-CB 3.43Å; E1400-Y1535 PolarHBondContact OE1-N 2.9Å; Y1535-R1537 PolarHBondContact O-N 3.16Å; Y1535-L1538 HydrophobicContact CD2-CD2 4.06Å; Y1535-L1538 HydrophobicContact CE2-CD2 4.18Å; Y1535-L1538 WeakPolarHBondContact O-CB 3.23Å; Y1535-L1538 PolarHBondContact O-N 3.04Å; Y1535-L1539 HydrophobicContact CD1-CD1 4.18Å; Y1535-L1539 HydrophobicContact CE1-CD1 3.72Å; Y1535-L1539 HydrophobicContact CE1-CD2 4.42Å; Y1535-L1539 HydrophobicContact CE1-CG 4.18Å; Y1535-L1539 HydrophobicContact CE2-CD2 4.22Å; Y1535-L1539 HydrophobicContact CE2-CG 4.35Å; Y1535-L1539 WeakPolarHBondContact O-CG 3.41Å; Y1535-L1539 PolarHBondContact O-N 3.06Å; Y1535-N1570 HydrophobicContact CE1-CB 4.22Å; Y1535-P1571 WeakPolarHBondContact OH-CG 3.11Å; Y1535-P1571 PolarHBondContact OH-O 3.34Å; Y1535-M1642 HydrophobicContact CD2-SD 3.57Å; Y1535-M1642 VanDerWaalsContact CD2-SD 3.57Å; Y1535-M1642 HydrophobicContact CG-SD 4.14Å; Y1535-P1645 HydrophobicContact CD1-CB 4.25Å; Y1535-P1645 HydrophobicContact CD2-CB 3.74Å; Y1535-P1645 HydrophobicContact CD2-CG 4.08Å; Y1535-P1645 HydrophobicContact CE1-CB 4.38Å; Y1535-P1645 HydrophobicContact CE2-CB 3.9Å; Y1535-P1645 HydrophobicContact CE2-CG 3.92Å; Y1535-P1645 HydrophobicContact CG-CB 3.94Å; Y1535-I1649 HydrophobicContact CD1-CD1 3.8Å; Y1535-I1649 HydrophobicContact CD1-CG1 4.26Å; Y1535-I1649 HydrophobicContact CG-CD1 4.37Å; Y1535-I1649 HydrophobicContact CG-CG1 4.47Å |
| 1536 | T | 95.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 8.9 Ų | 8.9 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -58.4 | -45.9 | 170.4 | -56.7 | 0 | 0 | 0 | 0 | 112.3 | Y1105 F1108 A1109 E1400 T1534 L1538 L1539 T1540 | Y1105-T1536 HydrophobicContact CD1-CG2 3.74Å; Y1105-T1536 HydrophobicContact CD2-CG2 3.78Å; Y1105-T1536 HydrophobicContact CE1-CG2 3.5Å; Y1105-T1536 HydrophobicContact CE2-CG2 3.59Å; Y1105-T1536 HydrophobicContact CG-CG2 3.85Å; Y1105-T1536 VanDerWaalsContact CZ-CG2 3.42Å; Y1105-T1536 VanDerWaalsContact O-CG2 3.31Å; Y1105-T1536 WeakPolarHBondContact O-CG2 3.45Å; F1108-T1536 HydrophobicContact CB-CG2 3.68Å; A1109-T1536 HydrophobicContact CB-CG2 4.01Å; E1400-T1536 PolarHBondContact OE1-N 3.42Å; E1400-T1536 WeakPolarHBondContact OE2-CB 3.47Å; E1400-T1536 PolarHBondContact OE2-OG1 3.17Å; T1534-T1536 VanDerWaalsContact C-N 3.3Å; T1536-L1538 VanDerWaalsContact C-N 3.29Å; T1536-L1538 PolarHBondContact O-N 2.77Å; T1536-L1539 WeakPolarHBondContact O-CB 3.26Å; T1536-L1539 PolarHBondContact O-N 3.26Å; T1536-T1540 PolarHBondContact O-N 3.47Å; T1536-T1540 PolarHBondContact O-OG1 2.96Å; T1536-T1540 VanDerWaalsContact O-OG1 3.14Å |
| 1537 | R | 94.8 | Very high | 93.5 | Very high | 9 Ų | 9 | 15 Ų | 15 | 3% | 0.034 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -58.2 | -41.7 | 175.4 | 176.6 | 53.7 | 52.9 | -161.6 | -2.2 | 111.6 | Y1105 D1125 N1128 Y1533 T1534 Y1535 L1539 T1540 D1541 | Y1105-R1537 VanDerWaalsContact CD2-NH2 3.29Å; Y1105-R1537 HydrophobicContact CE2-CB 4.04Å; D1125-R1537 PolarHBondContact O-NH2 2.81Å; N1128-R1537 WeakPolarHBondContact OD1-CD 3.45Å; N1128-R1537 PolarHBondContact OD1-NE 3.42Å; N1128-R1537 PolarHBondContact OD1-NH1 2.57Å; Y1533-R1537 HydrophobicContact CD2-CG 3.99Å; Y1533-R1537 HydrophobicContact CE1-CG 4.42Å; Y1533-R1537 HydrophobicContact CE2-CG 3.53Å; T1534-R1537 PolarHBondContact O-N 2.68Å; T1534-R1537 WeakPolarHBondContact OG1-CB 3.24Å; T1534-R1537 PolarHBondContact OG1-N 3.46Å; Y1535-R1537 PolarHBondContact O-N 3.16Å; R1537-L1539 VanDerWaalsContact C-N 3.33Å; R1537-L1539 PolarHBondContact O-N 2.93Å; R1537-T1540 PolarHBondContact O-N 3.42Å; R1537-D1541 WeakPolarHBondContact CD-OD1 3.04Å; R1537-D1541 IonicContact NH1-OD1 2.71Å; R1537-D1541 WeakPolarHBondContact O-CB 3.27Å; R1537-D1541 PolarHBondContact O-N 2.9Å |
| 1538 | L | 95.8 | Very high | 92.9 | Very high | 3 Ų | 3 | 19 Ų | 19 | 2% | 0.016 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -58.7 | -44.8 | 174.1 | 178 | 59.9 | 0 | 0 | 0 | 111.8 | Y1533 T1534 Y1535 T1536 D1541 L1542 P1573 P1641 M1642 | Y1533-L1538 HydrophobicContact CE1-CB 3.92Å; Y1533-L1538 HydrophobicContact CE1-CD1 4.38Å; T1534-L1538 PolarHBondContact O-N 3.49Å; Y1535-L1538 HydrophobicContact CD2-CD2 4.06Å; Y1535-L1538 HydrophobicContact CE2-CD2 4.18Å; Y1535-L1538 WeakPolarHBondContact O-CB 3.23Å; Y1535-L1538 PolarHBondContact O-N 3.04Å; T1536-L1538 VanDerWaalsContact C-N 3.29Å; T1536-L1538 PolarHBondContact O-N 2.77Å; L1538-D1541 PolarHBondContact O-N 3.22Å; L1538-L1542 HydrophobicContact CD1-CD1 4Å; L1538-L1542 HydrophobicContact CD1-CG 4.05Å; L1538-L1542 HydrophobicContact CG-CD1 3.86Å; L1538-L1542 HydrophobicContact CG-CG 4.37Å; L1538-L1542 VanDerWaalsContact O-CB 3.24Å; L1538-L1542 WeakPolarHBondContact O-CB 3.44Å; L1538-L1542 WeakPolarHBondContact O-CD1 3.5Å; L1538-L1542 WeakPolarHBondContact O-CG 3.48Å; L1538-L1542 PolarHBondContact O-N 3.16Å; L1538-P1573 HydrophobicContact CD2-CG 4.03Å; L1538-P1641 HydrophobicContact CD1-CB 3.79Å; L1538-P1641 HydrophobicContact CD1-CG 3.75Å; L1538-P1641 HydrophobicContact CD2-CB 4.28Å; L1538-P1641 HydrophobicContact CD2-CG 3.93Å; L1538-P1641 HydrophobicContact CG-CG 4.4Å; L1538-M1642 HydrophobicContact CB-CE 4.45Å; L1538-M1642 HydrophobicContact CD2-CB 3.6Å; L1538-M1642 HydrophobicContact CD2-CE 4.12Å; L1538-M1642 HydrophobicContact CD2-SD 4.35Å |
| 1539 | L | 94.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -65.1 | -42 | 178.7 | -64.6 | 178.3 | 0 | 0 | 0 | 112.2 | W1073 Y1075 F1108 I1112 Y1535 T1536 R1537 L1542 N1543 | W1073-L1539 HydrophobicContact CH2-CD2 4.03Å; W1073-L1539 HydrophobicContact CZ2-CD2 3.53Å; Y1075-L1539 HydrophobicContact CD2-CD2 3.99Å; Y1075-L1539 HydrophobicContact CE2-CD1 3.87Å; Y1075-L1539 HydrophobicContact CE2-CD2 3.72Å; Y1075-L1539 HydrophobicContact CE2-CG 4.45Å; F1108-L1539 HydrophobicContact CB-CB 4.02Å; F1108-L1539 HydrophobicContact CB-CD1 4.15Å; F1108-L1539 HydrophobicContact CD1-CB 3.53Å; F1108-L1539 HydrophobicContact CD1-CD1 3.7Å; F1108-L1539 HydrophobicContact CD1-CG 4.18Å; F1108-L1539 HydrophobicContact CD2-CB 3.86Å; F1108-L1539 HydrophobicContact CE1-CB 3.89Å; F1108-L1539 HydrophobicContact CE1-CD1 4.44Å; F1108-L1539 HydrophobicContact CE2-CB 4.22Å; F1108-L1539 WeakPolarHBondContact CE2-O 3.24Å; F1108-L1539 HydrophobicContact CG-CB 3.52Å; F1108-L1539 HydrophobicContact CG-CD1 4.15Å; F1108-L1539 HydrophobicContact CG-CG 4.48Å; F1108-L1539 HydrophobicContact CZ-CB 4.24Å; I1112-L1539 HydrophobicContact CG2-CD1 4.03Å; Y1535-L1539 HydrophobicContact CD1-CD1 4.18Å; Y1535-L1539 HydrophobicContact CE1-CD1 3.72Å; Y1535-L1539 HydrophobicContact CE1-CD2 4.42Å; Y1535-L1539 HydrophobicContact CE1-CG 4.18Å; Y1535-L1539 HydrophobicContact CE2-CD2 4.22Å; Y1535-L1539 HydrophobicContact CE2-CG 4.35Å; Y1535-L1539 WeakPolarHBondContact O-CG 3.41Å; Y1535-L1539 PolarHBondContact O-N 3.06Å; T1536-L1539 WeakPolarHBondContact O-CB 3.26Å; T1536-L1539 PolarHBondContact O-N 3.26Å; R1537-L1539 VanDerWaalsContact C-N 3.33Å; R1537-L1539 PolarHBondContact O-N 2.93Å; L1539-L1542 PolarHBondContact O-N 3.45Å; L1539-N1543 WeakPolarHBondContact O-CB 3.46Å; L1539-N1543 PolarHBondContact O-N 3.02Å |
| 1540 | T | 92.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.7 | -47 | 174 | -49.5 | 0 | 0 | 0 | 0 | 112 | T1101 E1104 Y1105 T1536 R1537 L1542 N1543 K1544 | T1101-T1540 HydrophobicContact CG2-CG2 3.79Å; E1104-T1540 HydrophobicContact CB-CG2 4.11Å; Y1105-T1540 WeakPolarHBondContact CD2-OG1 3.36Å; T1536-T1540 PolarHBondContact O-N 3.47Å; T1536-T1540 PolarHBondContact O-OG1 2.96Å; T1536-T1540 VanDerWaalsContact O-OG1 3.14Å; R1537-T1540 PolarHBondContact O-N 3.42Å; T1540-L1542 PolarHBondContact O-N 2.78Å; T1540-N1543 PolarHBondContact O-N 3.37Å; T1540-K1544 VanDerWaalsContact O-CB 3.25Å; T1540-K1544 WeakPolarHBondContact O-CB 3.23Å; T1540-K1544 PolarHBondContact O-N 3.02Å |
| 1541 | D | 93 | Very high | 90.2 | Very high | 4 Ų | 4 | 30.6 Ų | 30.6 | 2% | 0.021 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64 | -41.7 | 179.4 | -73.6 | -7.8 | 0 | 0 | 0 | 110.9 | Y1533 R1537 L1538 K1544 W1545 K1614 | Y1533-D1541 PolarHBondContact OH-OD2 3.49Å; R1537-D1541 WeakPolarHBondContact CD-OD1 3.04Å; R1537-D1541 IonicContact NH1-OD1 2.71Å; R1537-D1541 WeakPolarHBondContact O-CB 3.27Å; R1537-D1541 PolarHBondContact O-N 2.9Å; L1538-D1541 PolarHBondContact O-N 3.22Å; D1541-K1544 PolarHBondContact O-N 2.98Å; D1541-W1545 HydrophobicContact CB-CH2 3.99Å; D1541-W1545 HydrophobicContact CB-CZ2 4.03Å; D1541-W1545 HydrophobicContact CB-CZ3 4.28Å; D1541-W1545 PolarHBondContact O-N 2.99Å; D1541-K1614 WeakPolarHBondContact OD2-CD 3.33Å; D1541-K1614 WeakPolarHBondContact OD2-CE 3.48Å |
| 1542 | L | 92.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.9 | -50 | 173.6 | -79.9 | 171 | 0 | 0 | 0 | 112.7 | W1073 L1538 L1539 T1540 K1544 W1545 Q1546 I1560 P1573 I1575 | W1073-L1542 HydrophobicContact CZ2-CD1 4.15Å; L1538-L1542 HydrophobicContact CD1-CD1 4Å; L1538-L1542 HydrophobicContact CD1-CG 4.05Å; L1538-L1542 HydrophobicContact CG-CD1 3.86Å; L1538-L1542 HydrophobicContact CG-CG 4.37Å; L1538-L1542 VanDerWaalsContact O-CB 3.24Å; L1538-L1542 WeakPolarHBondContact O-CB 3.44Å; L1538-L1542 WeakPolarHBondContact O-CD1 3.5Å; L1538-L1542 WeakPolarHBondContact O-CG 3.48Å; L1538-L1542 PolarHBondContact O-N 3.16Å; L1539-L1542 PolarHBondContact O-N 3.45Å; T1540-L1542 PolarHBondContact O-N 2.78Å; L1542-K1544 VanDerWaalsContact C-N 3.35Å; L1542-K1544 PolarHBondContact O-N 3.42Å; L1542-W1545 HydrophobicContact CD2-CE3 4.16Å; L1542-W1545 HydrophobicContact CD2-CZ3 4.25Å; L1542-W1545 PolarHBondContact O-N 2.83Å; L1542-Q1546 PolarHBondContact O-N 3.38Å; L1542-I1560 HydrophobicContact CB-CD1 3.9Å; L1542-I1560 HydrophobicContact CD2-CD1 3.82Å; L1542-I1560 HydrophobicContact CD2-CG1 4.13Å; L1542-I1560 HydrophobicContact CG-CD1 4.41Å; L1542-P1573 HydrophobicContact CD1-CB 3.77Å; L1542-P1573 HydrophobicContact CD1-CG 3.89Å; L1542-I1575 HydrophobicContact CD2-CD1 3.59Å; L1542-I1575 HydrophobicContact CD2-CG1 3.83Å |
| 1543 | N | 89.4 | Confident | 87.3 | Confident | 18 Ų | 18 | 38.5 Ų | 38.5 | 10% | 0.096 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.2 | -43.2 | 179 | -173.9 | 63.1 | 0 | 0 | 0 | 111.5 | E1104 F1108 L1539 T1540 W1545 Q1546 Y1547 | E1104-N1543 VanDerWaalsContact CD-ND2 3.31Å; E1104-N1543 PolarHBondContact OE2-ND2 3.22Å; F1108-N1543 HydrophobicContact CE2-CB 3.81Å; F1108-N1543 HydrophobicContact CZ-CB 3.86Å; L1539-N1543 WeakPolarHBondContact O-CB 3.46Å; L1539-N1543 PolarHBondContact O-N 3.02Å; T1540-N1543 PolarHBondContact O-N 3.37Å; N1543-W1545 PolarHBondContact O-N 3.34Å; N1543-Q1546 PolarHBondContact O-N 2.89Å; N1543-Y1547 WeakPolarHBondContact O-CB 3.19Å; N1543-Y1547 PolarHBondContact O-N 2.87Å |
| 1544 | K | 87.8 | Confident | 85.7 | Confident | 95 Ų | 95 | 45.6 Ų | 45.6 | 41% | 0.413 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.7 | -41.1 | 175 | 179.4 | 179.3 | 176.2 | -179.6 | 0 | 112.5 | T1540 D1541 L1542 K1548 | T1540-K1544 VanDerWaalsContact O-CB 3.25Å; T1540-K1544 WeakPolarHBondContact O-CB 3.23Å; T1540-K1544 PolarHBondContact O-N 3.02Å; D1541-K1544 PolarHBondContact O-N 2.98Å; L1542-K1544 VanDerWaalsContact C-N 3.35Å; L1542-K1544 PolarHBondContact O-N 3.42Å; K1544-K1548 WeakPolarHBondContact O-CB 3.49Å; K1544-K1548 PolarHBondContact O-N 3.45Å |
| 1545 | W | 90.3 | Very high | 84.9 | Confident | 11 Ų | 11 | 49.6 Ų | 49.6 | 4% | 0.042 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.3 | -41 | 174.3 | -63.8 | -32.8 | 0 | 0 | 0 | 112.2 | D1541 L1542 N1543 K1548 M1549 F1558 K1614 I1617 E1618 L1621 | D1541-W1545 HydrophobicContact CB-CH2 3.99Å; D1541-W1545 HydrophobicContact CB-CZ2 4.03Å; D1541-W1545 HydrophobicContact CB-CZ3 4.28Å; D1541-W1545 PolarHBondContact O-N 2.99Å; L1542-W1545 HydrophobicContact CD2-CE3 4.16Å; L1542-W1545 HydrophobicContact CD2-CZ3 4.25Å; L1542-W1545 PolarHBondContact O-N 2.83Å; N1543-W1545 PolarHBondContact O-N 3.34Å; W1545-K1548 WeakPolarHBondContact O-CB 3.4Å; W1545-K1548 PolarHBondContact O-N 3Å; W1545-M1549 WeakPolarHBondContact O-CG 3.32Å; W1545-M1549 PolarHBondContact O-N 2.85Å; W1545-F1558 HydrophobicContact CB-CE1 4.2Å; W1545-F1558 HydrophobicContact CB-CE2 4.37Å; W1545-F1558 HydrophobicContact CB-CZ 3.77Å; W1545-K1614 HydrophobicContact CH2-CG 4.42Å; W1545-K1614 HydrophobicContact CZ2-CG 4.11Å; W1545-I1617 HydrophobicContact CD2-CG2 3.81Å; W1545-I1617 HydrophobicContact CE3-CG2 3.63Å; W1545-I1617 HydrophobicContact CH2-CB 4.01Å; W1545-I1617 HydrophobicContact CH2-CD1 3.88Å; W1545-I1617 HydrophobicContact CH2-CG2 3.92Å; W1545-I1617 HydrophobicContact CZ2-CB 4.27Å; W1545-I1617 HydrophobicContact CZ2-CG2 4.05Å; W1545-I1617 HydrophobicContact CZ3-CB 4.17Å; W1545-I1617 HydrophobicContact CZ3-CD1 3.65Å; W1545-I1617 HydrophobicContact CZ3-CG2 3.71Å; W1545-E1618 HydrophobicContact CZ2-CG 3.83Å; W1545-L1621 HydrophobicContact CB-CD1 3.83Å; W1545-L1621 HydrophobicContact CD2-CD1 4.43Å; W1545-L1621 HydrophobicContact CG-CD1 3.9Å |
| 1546 | Q | 86.8 | Confident | 84.4 | Confident | 33 Ų | 33 | 50.2 Ų | 50.2 | 15% | 0.154 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.8 | -47.7 | 174.7 | -168.9 | 172.6 | -1.2 | 0 | 0 | 111 | L1542 N1543 K1548 M1549 L1550 F1558 I1560 | L1542-Q1546 PolarHBondContact O-N 3.38Å; N1543-Q1546 PolarHBondContact O-N 2.89Å; Q1546-K1548 PolarHBondContact O-N 3.24Å; Q1546-M1549 PolarHBondContact O-N 2.95Å; Q1546-L1550 HydrophobicContact CG-CD1 3.99Å; Q1546-L1550 HydrophobicContact CG-CG 4.47Å; Q1546-L1550 WeakPolarHBondContact O-CB 3.5Å; Q1546-L1550 VanDerWaalsContact O-CG 3.28Å; Q1546-L1550 WeakPolarHBondContact O-CG 3.41Å; Q1546-L1550 PolarHBondContact O-N 3.13Å; Q1546-F1558 HydrophobicContact CB-CE1 3.96Å; Q1546-I1560 HydrophobicContact CB-CD1 4.09Å |
| 1547 | Y | 83.3 | Confident | 84 | Confident | 128 Ų | 128 | 52.9 Ų | 52.9 | 50% | 0.502 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.8 | -40.4 | 175.2 | -174.6 | -95.3 | 0 | 0 | 0 | 112.5 | N1543 M1549 N1551 | N1543-Y1547 WeakPolarHBondContact O-CB 3.19Å; N1543-Y1547 PolarHBondContact O-N 2.87Å; Y1547-M1549 PolarHBondContact O-N 2.79Å; Y1547-N1551 WeakPolarHBondContact CD2-ND2 3.4Å; Y1547-N1551 VanDerWaalsContact CE2-ND2 3.34Å; Y1547-N1551 WeakPolarHBondContact CE2-ND2 3.39Å; Y1547-N1551 PolarHBondContact O-N 2.7Å; Y1547-N1551 PolarHBondContact O-ND2 2.92Å |
| 1548 | K | 83.7 | Confident | 83.7 | Confident | 84 Ų | 84 | 53.8 Ų | 53.8 | 37% | 0.365 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -57.5 | -47.6 | 174.6 | -172.5 | -166.5 | 174 | -163.7 | 0 | 111.2 | K1544 W1545 Q1546 N1551 H1552 L1621 | K1544-K1548 WeakPolarHBondContact O-CB 3.49Å; K1544-K1548 PolarHBondContact O-N 3.45Å; W1545-K1548 WeakPolarHBondContact O-CB 3.4Å; W1545-K1548 PolarHBondContact O-N 3Å; Q1546-K1548 PolarHBondContact O-N 3.24Å; K1548-N1551 PolarHBondContact O-N 2.61Å; K1548-H1552 WeakPolarHBondContact O-CB 3.37Å; K1548-H1552 PolarHBondContact O-N 3.1Å; K1548-H1552 VanDerWaalsContact O-N 3.11Å; K1548-L1621 PolarHBondContact NZ-O 2.82Å |
| 1549 | M | 83.6 | Confident | 83.3 | Confident | 22 Ų | 22 | 56.8 Ų | 56.8 | 11% | 0.108 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -74.2 | -37.3 | -176.9 | -61.4 | -70.9 | 87.6 | 0 | 0 | 112.8 | W1545 Q1546 Y1547 N1551 H1552 I1556 F1558 L1621 | W1545-M1549 WeakPolarHBondContact O-CG 3.32Å; W1545-M1549 PolarHBondContact O-N 2.85Å; Q1546-M1549 PolarHBondContact O-N 2.95Å; Y1547-M1549 PolarHBondContact O-N 2.79Å; M1549-N1551 PolarHBondContact O-N 2.71Å; M1549-H1552 PolarHBondContact O-N 3.21Å; M1549-I1556 HydrophobicContact SD-CB 4.06Å; M1549-I1556 HydrophobicContact SD-CD1 4.07Å; M1549-I1556 HydrophobicContact SD-CG2 4.02Å; M1549-F1558 HydrophobicContact CB-CB 4.03Å; M1549-F1558 HydrophobicContact CB-CD1 4.3Å; M1549-F1558 HydrophobicContact CB-CG 4.4Å; M1549-F1558 HydrophobicContact CG-CB 3.74Å; M1549-F1558 HydrophobicContact CG-CD1 4.1Å; M1549-F1558 HydrophobicContact CG-CG 3.9Å; M1549-F1558 HydrophobicContact SD-CB 4.49Å; M1549-L1621 HydrophobicContact CG-CD2 4.4Å; M1549-L1621 HydrophobicContact SD-CB 4.36Å; M1549-L1621 HydrophobicContact SD-CD2 3.88Å |
| 1550 | L | 77.5 | Confident | 83 | Confident | 135 Ų | 135 | 57.1 Ų | 57.1 | 71% | 0.707 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -63 | -22.4 | 174.5 | -73.8 | 171.5 | 0 | 0 | 0 | 113.6 | Q1546 | Q1546-L1550 HydrophobicContact CG-CD1 3.99Å; Q1546-L1550 HydrophobicContact CG-CG 4.47Å; Q1546-L1550 WeakPolarHBondContact O-CB 3.5Å; Q1546-L1550 VanDerWaalsContact O-CG 3.28Å; Q1546-L1550 WeakPolarHBondContact O-CG 3.41Å; Q1546-L1550 PolarHBondContact O-N 3.13Å |
| 1551 | N | 71.8 | Confident | 82.8 | Confident | 91 Ų | 91 | 57.3 Ų | 57.3 | 49% | 0.487 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -105.9 | -12.1 | -179.6 | -70.3 | -81.2 | 0 | 0 | 0 | 114.3 | Y1547 K1548 M1549 | Y1547-N1551 WeakPolarHBondContact CD2-ND2 3.4Å; Y1547-N1551 VanDerWaalsContact CE2-ND2 3.34Å; Y1547-N1551 WeakPolarHBondContact CE2-ND2 3.39Å; Y1547-N1551 PolarHBondContact O-N 2.7Å; Y1547-N1551 PolarHBondContact O-ND2 2.92Å; K1548-N1551 PolarHBondContact O-N 2.61Å; M1549-N1551 PolarHBondContact O-N 2.71Å |
| 1552 | H | 68.3 | Low | 82.6 | Confident | 121 Ų | 121 | 59.1 Ų | 59.1 | 56% | 0.56 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -137.5 | 116.7 | -173.3 | -70.7 | 4 | 0 | 0 | 0 | 113.6 | K1548 M1549 | K1548-H1552 WeakPolarHBondContact O-CB 3.37Å; K1548-H1552 PolarHBondContact O-N 3.1Å; K1548-H1552 VanDerWaalsContact O-N 3.11Å; M1549-H1552 PolarHBondContact O-N 3.21Å |
| 1553 | S | 60.8 | Low | 82.4 | Confident | 49 Ų | 49 | 59.2 Ų | 59.2 | 34% | 0.343 | 28% | 0.282 | S | S | . | . | trans | 64.6 | 123.2 | 173.2 | -162.4 | 0 | 0 | 0 | 0 | 117.1 | E1555 | S1553-E1555 PolarHBondContact O-N 2.65Š| ||
| 1554 | N | 63.9 | Low | 82.5 | Confident | 155 Ų | 155 | 58.8 Ų | 58.8 | 83% | 0.829 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | 14.2 | 177.3 | -62.4 | -4 | 0 | 0 | 0 | 113.5 | I1580 | N1554-I1580 VanDerWaalsContact O-CD1 3.22Å; N1554-I1580 WeakPolarHBondContact O-CD1 3.18Å |
| 1555 | E | 80.5 | Confident | 82.6 | Confident | 84 Ų | 84 | 56.4 Ų | 56.4 | 39% | 0.393 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -28.4 | -171.8 | -80.8 | -175.9 | -128.2 | 0 | 0 | 114.7 | S1553 Q1579 I1580 | S1553-E1555 PolarHBondContact O-N 2.65Å; E1555-Q1579 PolarHBondContact OE2-NE2 3.49Å; E1555-I1580 PolarHBondContact O-N 2.98Å |
| 1556 | I | 86.8 | Confident | 82.9 | Confident | 12 Ų | 12 | 56.4 Ų | 56.4 | 6% | 0.062 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 121 | -175.6 | -57.9 | -171.6 | 0 | 0 | 0 | 110.1 | M1549 F1558 I1577 L1621 N1623 R1632 | M1549-I1556 HydrophobicContact SD-CB 4.06Å; M1549-I1556 HydrophobicContact SD-CD1 4.07Å; M1549-I1556 HydrophobicContact SD-CG2 4.02Å; I1556-F1558 HydrophobicContact CG2-CB 4.37Å; I1556-F1558 PolarHBondContact O-N 2.92Å; I1556-I1577 HydrophobicContact CG2-CG2 4.14Å; I1556-L1621 HydrophobicContact CG2-CD2 4.06Å; I1556-N1623 WeakPolarHBondContact CD1-OD1 3.11Å; I1556-R1632 VanDerWaalsContact CD1-CZ 3.41Å |
| 1557 | Y | 86.2 | Confident | 83.2 | Confident | 57 Ų | 57 | 58 Ų | 58 | 22% | 0.224 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 102.4 | 165.2 | -169.3 | -86.5 | 0 | 0 | 0 | 107.9 | D1048 R1559 T1576 I1577 T1578 I1580 | D1048-Y1557 PolarHBondContact OD2-OH 2.87Å; D1048-Y1557 VanDerWaalsContact OD2-OH 3.09Å; Y1557-R1559 HydrophobicContact CD1-CB 4.4Å; Y1557-R1559 HydrophobicContact CE1-CB 3.76Å; Y1557-R1559 PolarHBondContact OH-NH1 2.77Å; Y1557-T1576 HydrophobicContact CD1-CG2 4.14Å; Y1557-T1576 HydrophobicContact CE1-CG2 4.04Å; Y1557-I1577 WeakPolarHBondContact O-CA 3.38Å; Y1557-T1578 HydrophobicContact CG-CG2 4.44Å; Y1557-T1578 PolarHBondContact N-O 3.23Å; Y1557-T1578 PolarHBondContact O-N 2.96Å; Y1557-I1580 HydrophobicContact CD2-CG1 4.44Å |
| 1558 | F | 88.7 | Confident | 83.7 | Confident | 28 Ų | 28 | 53.8 Ų | 53.8 | 12% | 0.123 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 115.1 | 171.6 | 179.4 | -98.2 | 0 | 0 | 0 | 109.4 | W1545 Q1546 M1549 I1556 I1560 I1575 T1576 I1577 L1621 | W1545-F1558 HydrophobicContact CB-CE1 4.2Å; W1545-F1558 HydrophobicContact CB-CE2 4.37Å; W1545-F1558 HydrophobicContact CB-CZ 3.77Å; Q1546-F1558 HydrophobicContact CB-CE1 3.96Å; M1549-F1558 HydrophobicContact CB-CB 4.03Å; M1549-F1558 HydrophobicContact CB-CD1 4.3Å; M1549-F1558 HydrophobicContact CB-CG 4.4Å; M1549-F1558 HydrophobicContact CG-CB 3.74Å; M1549-F1558 HydrophobicContact CG-CD1 4.1Å; M1549-F1558 HydrophobicContact CG-CG 3.9Å; M1549-F1558 HydrophobicContact SD-CB 4.49Å; I1556-F1558 HydrophobicContact CG2-CB 4.37Å; I1556-F1558 PolarHBondContact O-N 2.92Å; F1558-I1560 HydrophobicContact CE1-CD1 3.77Å; F1558-I1560 HydrophobicContact CE1-CG1 3.73Å; F1558-I1560 HydrophobicContact CZ-CD1 3.97Å; F1558-I1560 HydrophobicContact CZ-CG1 3.84Å; F1558-I1575 HydrophobicContact CD2-CG2 4.02Å; F1558-I1575 HydrophobicContact CE2-CG2 3.41Å; F1558-I1575 VanDerWaalsContact CE2-CG2 3.41Å; F1558-I1575 HydrophobicContact CZ-CG2 3.99Å; F1558-T1576 WeakPolarHBondContact CA-O 3.16Å; F1558-I1577 HydrophobicContact CD2-CD1 4.11Å; F1558-I1577 HydrophobicContact CD2-CG1 4Å; F1558-I1577 HydrophobicContact CE2-CD1 4.18Å; F1558-I1577 HydrophobicContact CE2-CG1 4.4Å; F1558-L1621 HydrophobicContact CB-CD2 4.5Å; F1558-L1621 HydrophobicContact CD2-CD1 3.9Å; F1558-L1621 HydrophobicContact CD2-CD2 3.68Å; F1558-L1621 HydrophobicContact CD2-CG 4.41Å; F1558-L1621 HydrophobicContact CE2-CD1 3.72Å; F1558-L1621 HydrophobicContact CE2-CD2 4.3Å; F1558-L1621 HydrophobicContact CG-CD2 4.39Å; F1558-L1621 HydrophobicContact CZ-CD1 4.42Å |
| 1559 | R | 86.3 | Confident | 84.2 | Confident | 65 Ų | 65 | 52.7 Ų | 52.7 | 25% | 0.245 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 135.6 | 177.2 | -165.2 | 177.8 | -163.8 | 152 | 5.7 | 110.2 | D1048 Y1557 Q1561 I1575 T1576 | D1048-R1559 IonicContact OD2-NH1 2.67Å; D1048-R1559 PolarHBondContact OD2-NH1 3.31Å; Y1557-R1559 HydrophobicContact CD1-CB 4.4Å; Y1557-R1559 HydrophobicContact CE1-CB 3.76Å; Y1557-R1559 PolarHBondContact OH-NH1 2.77Å; R1559-Q1561 HydrophobicContact CG-CG 4.13Å; R1559-I1575 CarbonylContact O-C 3.55Å; R1559-I1575 WeakPolarHBondContact O-CA 3.11Å; R1559-T1576 PolarHBondContact N-O 3.47Å; R1559-T1576 PolarHBondContact O-N 3.33Å |
| 1560 | I | 89.2 | Confident | 84.7 | Confident | 8 Ų | 8 | 51.7 Ų | 51.7 | 4% | 0.041 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 130 | 166.8 | -55.4 | 166.7 | 0 | 0 | 0 | 107 | W1073 L1542 Q1546 F1558 P1573 | W1073-I1560 HydrophobicContact CB-CG2 4.44Å; W1073-I1560 HydrophobicContact CD2-CB 4.45Å; W1073-I1560 HydrophobicContact CD2-CG2 3.49Å; W1073-I1560 VanDerWaalsContact CD2-CG2 3.49Å; W1073-I1560 HydrophobicContact CE3-CG2 3.67Å; W1073-I1560 HydrophobicContact CG-CB 4.33Å; W1073-I1560 HydrophobicContact CG-CG2 3.85Å; W1073-I1560 HydrophobicContact CH2-CG2 4.46Å; W1073-I1560 HydrophobicContact CZ2-CG2 4.24Å; W1073-I1560 HydrophobicContact CZ3-CG2 4.18Å; L1542-I1560 HydrophobicContact CB-CD1 3.9Å; L1542-I1560 HydrophobicContact CD2-CD1 3.82Å; L1542-I1560 HydrophobicContact CD2-CG1 4.13Å; L1542-I1560 HydrophobicContact CG-CD1 4.41Å; Q1546-I1560 HydrophobicContact CB-CD1 4.09Å; F1558-I1560 HydrophobicContact CE1-CD1 3.77Å; F1558-I1560 HydrophobicContact CE1-CG1 3.73Å; F1558-I1560 HydrophobicContact CZ-CD1 3.97Å; F1558-I1560 HydrophobicContact CZ-CG1 3.84Å; I1560-P1573 HydrophobicContact CG2-CB 4.38Å |
| 1561 | Q | 87.3 | Confident | 85.4 | Confident | 4 Ų | 4 | 45.7 Ų | 45.7 | 2% | 0.019 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 157.3 | 175.6 | -50.8 | -172.5 | -84.3 | 0 | 0 | 109 | F1042 E1045 R1559 P1573 L1574 | F1042-Q1561 PolarHBondContact O-NE2 3.05Å; E1045-Q1561 PolarHBondContact OE1-OE1 2.75Å; R1559-Q1561 HydrophobicContact CG-CG 4.13Å; Q1561-P1573 WeakPolarHBondContact O-CA 3.5Å; Q1561-L1574 HydrophobicContact CB-CB 4.41Å; Q1561-L1574 PolarHBondContact N-O 2.9Å; Q1561-L1574 PolarHBondContact O-N 3.15Å |
| 1562 | Q | 88.7 | Confident | 86.5 | Confident | 42 Ų | 42 | 41.3 Ų | 41.3 | 20% | 0.196 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 117.7 | 165.8 | -176.7 | 175.8 | -15.4 | 0 | 0 | 109.4 | F1042 W1073 T1564 S1565 P1571 | F1042-Q1562 VanDerWaalsContact CD1-O 3.29Å; F1042-Q1562 WeakPolarHBondContact CD1-O 3.44Å; W1073-Q1562 HydrophobicContact CE3-CB 4.24Å; W1073-Q1562 HydrophobicContact CZ3-CB 4.38Å; Q1562-T1564 WeakPolarHBondContact CG-O 3.48Å; Q1562-T1564 PolarHBondContact NE2-O 2.93Å; Q1562-S1565 PolarHBondContact NE2-OG 3.16Å; Q1562-P1571 HydrophobicContact CG-CB 3.91Å |
| 1563 | L | 89.1 | Confident | 87.8 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | -43.6 | 176.4 | 177.8 | 63.7 | 0 | 0 | 0 | 112.1 | F1043 V1572 L1574 I1640 H1679 T1680 | F1043-L1563 HydrophobicContact CZ-CD1 3.93Å; L1563-V1572 HydrophobicContact CB-CB 4.44Å; L1563-V1572 HydrophobicContact CB-CG1 4.33Å; L1563-V1572 HydrophobicContact CD2-CG1 4.27Å; L1563-V1572 PolarHBondContact N-O 3.31Å; L1563-L1574 HydrophobicContact CB-CB 4.19Å; L1563-I1640 HydrophobicContact CD2-CD1 3.61Å; L1563-I1640 HydrophobicContact CD2-CG1 4.15Å; L1563-I1640 HydrophobicContact CD2-CG2 4.46Å; L1563-H1679 HydrophobicContact CD1-CB 4.15Å; L1563-H1679 HydrophobicContact CG-CB 4.03Å; L1563-T1680 WeakPolarHBondContact CD2-OG1 3.44Å |
| 1564 | T | 91.5 | Very high | 89.4 | Confident | 10 Ų | 10 | 33.2 Ų | 33.2 | 6% | 0.061 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.5 | -169.2 | -178.7 | -168.7 | 0 | 0 | 0 | 0 | 109.5 | Q1562 V1572 T1676 H1679 | Q1562-T1564 WeakPolarHBondContact CG-O 3.48Å; Q1562-T1564 PolarHBondContact NE2-O 2.93Å; T1564-V1572 HydrophobicContact CG2-CB 4.19Å; T1564-V1572 HydrophobicContact CG2-CG2 4.01Å; T1564-V1572 PolarHBondContact O-N 3.03Å; T1564-T1676 HydrophobicContact CG2-CG2 4.35Å; T1564-H1679 VanDerWaalsContact CB-CD2 3.42Å; T1564-H1679 WeakPolarHBondContact CB-CD2 3.46Å; T1564-H1679 HydrophobicContact CG2-CB 4.11Å; T1564-H1679 PolarHBondContact OG1-CD2 2.94Å; T1564-H1679 PolarHBondContact OG1-NE2 3.1Å |
| 1565 | S | 91.3 | Very high | 90.8 | Very high | 44 Ų | 44 | 25.9 Ų | 25.9 | 31% | 0.308 | 13% | 0.133 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 153 | 165 | -68.3 | 0 | 0 | 0 | 0 | 111 | Q1562 N1570 P1675 | Q1562-S1565 PolarHBondContact NE2-OG 3.16Å; S1565-N1570 CarbonylContact C-O 3.53Å; S1565-N1570 WeakPolarHBondContact CA-O 3.42Å; S1565-P1675 WeakPolarHBondContact O-CB 3.2Å; S1565-P1675 WeakPolarHBondContact O-CG 3.44Å |
| 1566 | T | 95.1 | Very high | 91.4 | Very high | 11 Ų | 11 | 22 Ų | 22 | 7% | 0.067 | 11% | 0.114 | C | C | . | . | trans | -75.5 | -178.6 | 170.5 | 57.5 | 0 | 0 | 0 | 0 | 112.7 | S1569 N1570 V1572 P1645 D1646 T1676 | T1566-S1569 WeakPolarHBondContact O-CA 3.49Å; T1566-S1569 PolarHBondContact O-N 3.33Å; T1566-S1569 PolarHBondContact OG1-N 2.8Å; T1566-N1570 HydrophobicContact CG2-CB 4.38Å; T1566-N1570 PolarHBondContact N-O 3.48Å; T1566-N1570 WeakPolarHBondContact OG1-CA 3.43Å; T1566-N1570 WeakPolarHBondContact OG1-CB 3.19Å; T1566-N1570 PolarHBondContact OG1-N 3.19Å; T1566-N1570 PolarHBondContact OG1-O 3.36Å; T1566-V1572 HydrophobicContact CG2-CG2 3.74Å; T1566-P1645 HydrophobicContact CG2-CB 4.11Å; T1566-P1645 HydrophobicContact CG2-CG 3.92Å; T1566-D1646 VanDerWaalsContact CB-CG 3.44Å; T1566-D1646 VanDerWaalsContact CB-OD1 3.22Å; T1566-D1646 WeakPolarHBondContact CB-OD1 3.39Å; T1566-D1646 VanDerWaalsContact CB-OD2 3.27Å; T1566-D1646 WeakPolarHBondContact CB-OD2 3.42Å; T1566-D1646 PolarHBondContact OG1-OD1 3.46Å; T1566-D1646 PolarHBondContact OG1-OD2 3.3Å; T1566-T1676 HydrophobicContact CG2-CG2 4.2Å | ||
| 1567 | I | 93.9 | Very high | 91.7 | Very high | 67 Ų | 67 | 21.4 Ų | 21.4 | 34% | 0.344 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -39.8 | 179.8 | -64.4 | 170.6 | 0 | 0 | 0 | 110.8 | S1569 D1646 M1657 | I1567-S1569 PolarHBondContact O-N 2.85Å; I1567-D1646 PolarHBondContact N-OD2 2.96Å; I1567-D1646 VanDerWaalsContact N-OD2 3.13Å; I1567-M1657 HydrophobicContact CB-CB 4.25Å; I1567-M1657 HydrophobicContact CD1-CB 4.13Å; I1567-M1657 HydrophobicContact CG2-CB 4.29Å |
| 1568 | L | 93.7 | Very high | 91.9 | Very high | 39 Ų | 39 | 18.9 Ų | 18.9 | 20% | 0.204 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | 6.3 | 172.5 | -57.8 | 179.6 | 0 | 0 | 0 | 113.1 | K1113 L1115 N1570 D1646 M1657 | K1113-L1568 HydrophobicContact CB-CB 4.42Å; K1113-L1568 WeakPolarHBondContact CB-O 3.39Å; K1113-L1568 WeakPolarHBondContact CD-O 3.41Å; L1115-L1568 HydrophobicContact CB-CD1 4.45Å; L1568-N1570 VanDerWaalsContact C-N 3.3Å; L1568-N1570 PolarHBondContact O-N 3.17Å; L1568-D1646 HydrophobicContact CD1-CB 4.07Å; L1568-D1646 HydrophobicContact CG-CB 4.28Å; L1568-D1646 PolarHBondContact N-OD2 3.5Å; L1568-M1657 HydrophobicContact CD1-CE 4.13Å; L1568-M1657 HydrophobicContact CD1-CG 4.24Å; L1568-M1657 HydrophobicContact CD1-SD 4.42Å; L1568-M1657 HydrophobicContact CD2-CE 4.39Å; L1568-M1657 HydrophobicContact CG-CE 4.5Å; L1568-M1657 HydrophobicContact CG-CG 4.15Å |
| 1569 | S | 93.2 | Very high | 91.8 | Very high | 62 Ų | 62 | 17.8 Ų | 17.8 | 43% | 0.434 | 10% | 0.097 | S | C | . | . | trans | 61.9 | 31.4 | -179 | -53.8 | 0 | 0 | 0 | 0 | 114.7 | K1113 T1566 I1567 | K1113-S1569 PolarHBondContact NZ-O 3.34Å; T1566-S1569 WeakPolarHBondContact O-CA 3.49Å; T1566-S1569 PolarHBondContact O-N 3.33Å; T1566-S1569 PolarHBondContact OG1-N 2.8Å; I1567-S1569 PolarHBondContact O-N 2.85Å | ||
| 1570 | N | 94.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.101 | C | C | . | . | trans | -73.1 | 141.3 | 157.5 | -63.4 | -63.8 | 0 | 0 | 0 | 109.4 | K1113 Y1535 S1565 T1566 L1568 D1646 I1649 | K1113-N1570 PolarHBondContact N-OD1 3.36Å; K1113-N1570 PolarHBondContact O-ND2 2.92Å; Y1535-N1570 HydrophobicContact CE1-CB 4.22Å; S1565-N1570 CarbonylContact C-O 3.53Å; S1565-N1570 WeakPolarHBondContact CA-O 3.42Å; T1566-N1570 HydrophobicContact CG2-CB 4.38Å; T1566-N1570 PolarHBondContact N-O 3.48Å; T1566-N1570 WeakPolarHBondContact OG1-CA 3.43Å; T1566-N1570 WeakPolarHBondContact OG1-CB 3.19Å; T1566-N1570 PolarHBondContact OG1-N 3.19Å; T1566-N1570 PolarHBondContact OG1-O 3.36Å; L1568-N1570 VanDerWaalsContact C-N 3.3Å; L1568-N1570 PolarHBondContact O-N 3.17Å; N1570-D1646 PolarHBondContact ND2-OD1 3.13Å; N1570-I1649 WeakPolarHBondContact ND2-CD1 3.41Å | ||
| 1571 | P | 93.6 | Very high | 90.6 | Very high | 9 Ų | 9 | 20.4 Ų | 20.4 | 6% | 0.058 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 164.6 | 175.7 | 26.4 | -29.3 | 0 | 0 | 0 | 111.5 | W1073 P1074 Y1075 Y1535 Q1562 | W1073-P1571 HydrophobicContact CH2-CB 4.45Å; W1073-P1571 HydrophobicContact CH2-CG 4.43Å; W1073-P1571 HydrophobicContact CZ3-CB 4.23Å; P1074-P1571 HydrophobicContact CG-CB 4.02Å; P1074-P1571 HydrophobicContact CG-CG 4Å; Y1075-P1571 HydrophobicContact CE2-CG 3.61Å; Y1075-P1571 WeakPolarHBondContact OH-CD 3.48Å; Y1075-P1571 WeakPolarHBondContact OH-CG 2.79Å; Y1535-P1571 WeakPolarHBondContact OH-CG 3.11Å; Y1535-P1571 PolarHBondContact OH-O 3.34Å; Q1562-P1571 HydrophobicContact CG-CB 3.91Å |
| 1572 | V | 94.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 111.8 | 174.6 | -180 | 0 | 0 | 0 | 0 | 108.3 | L1563 T1564 T1566 I1640 P1645 T1676 | L1563-V1572 HydrophobicContact CB-CB 4.44Å; L1563-V1572 HydrophobicContact CB-CG1 4.33Å; L1563-V1572 HydrophobicContact CD2-CG1 4.27Å; L1563-V1572 PolarHBondContact N-O 3.31Å; T1564-V1572 HydrophobicContact CG2-CB 4.19Å; T1564-V1572 HydrophobicContact CG2-CG2 4.01Å; T1564-V1572 PolarHBondContact O-N 3.03Å; T1566-V1572 HydrophobicContact CG2-CG2 3.74Å; V1572-I1640 HydrophobicContact CG1-CG2 4.12Å; V1572-P1645 HydrophobicContact CG2-CG 4.48Å; V1572-T1676 HydrophobicContact CG2-CG2 3.71Å |
| 1573 | P | 93.9 | Very high | 88 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 140 | -179.5 | 24.1 | -30.6 | 0 | 0 | 0 | 112.4 | W1073 L1538 L1542 I1560 Q1561 P1641 | W1073-P1573 HydrophobicContact CH2-CB 3.59Å; W1073-P1573 HydrophobicContact CH2-CG 4.11Å; W1073-P1573 HydrophobicContact CZ2-CB 4.36Å; W1073-P1573 HydrophobicContact CZ3-CB 3.82Å; L1538-P1573 HydrophobicContact CD2-CG 4.03Å; L1542-P1573 HydrophobicContact CD1-CB 3.77Å; L1542-P1573 HydrophobicContact CD1-CG 3.89Å; I1560-P1573 HydrophobicContact CG2-CB 4.38Å; Q1561-P1573 WeakPolarHBondContact O-CA 3.5Å; P1573-P1641 HydrophobicContact CB-CG 4.4Å; P1573-P1641 HydrophobicContact CG-CG 3.86Å |
| 1574 | L | 94 | Very high | 86.4 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 120.8 | 161.7 | 175.2 | 68.6 | 0 | 0 | 0 | 107.6 | F1043 Q1561 L1563 K1638 I1640 L1683 | F1043-L1574 HydrophobicContact CE1-CD2 3.51Å; F1043-L1574 HydrophobicContact CZ-CD2 3.95Å; Q1561-L1574 HydrophobicContact CB-CB 4.41Å; Q1561-L1574 PolarHBondContact N-O 2.9Å; Q1561-L1574 PolarHBondContact O-N 3.15Å; L1563-L1574 HydrophobicContact CB-CB 4.19Å; L1574-K1638 HydrophobicContact CD1-CB 4.25Å; L1574-K1638 HydrophobicContact CD1-CD 4.08Å; L1574-K1638 HydrophobicContact CD2-CD 4.16Å; L1574-K1638 HydrophobicContact CG-CD 4.18Å; L1574-I1640 HydrophobicContact CD1-CD1 4.2Å; L1574-I1640 HydrophobicContact CD1-CG1 3.56Å; L1574-L1683 HydrophobicContact CD1-CD2 4.18Å; L1574-L1683 HydrophobicContact CD2-CD2 4.04Å |
| 1575 | I | 94.2 | Very high | 84.4 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 133.9 | 178.6 | -40.7 | 172.7 | 0 | 0 | 0 | 108.8 | L1542 F1558 R1559 I1577 I1617 K1638 I1639 P1641 | L1542-I1575 HydrophobicContact CD2-CD1 3.59Å; L1542-I1575 HydrophobicContact CD2-CG1 3.83Å; F1558-I1575 HydrophobicContact CD2-CG2 4.02Å; F1558-I1575 HydrophobicContact CE2-CG2 3.41Å; F1558-I1575 VanDerWaalsContact CE2-CG2 3.41Å; F1558-I1575 HydrophobicContact CZ-CG2 3.99Å; R1559-I1575 CarbonylContact O-C 3.55Å; R1559-I1575 WeakPolarHBondContact O-CA 3.11Å; I1575-I1577 HydrophobicContact CG2-CD1 4.02Å; I1575-I1577 HydrophobicContact CG2-CG1 3.84Å; I1575-I1617 HydrophobicContact CD1-CD1 3.51Å; I1575-I1617 HydrophobicContact CD1-CG1 4.43Å; I1575-K1638 CarbonylContact O-C 3.57Å; I1575-K1638 WeakPolarHBondContact O-CA 3.45Å; I1575-I1639 HydrophobicContact CB-CB 4.25Å; I1575-I1639 HydrophobicContact CD1-CB 4.4Å; I1575-I1639 PolarHBondContact N-O 3.47Å; I1575-I1639 PolarHBondContact O-N 3.1Å; I1575-P1641 HydrophobicContact CD1-CG 4.08Å; I1575-P1641 HydrophobicContact CG1-CG 4.44Å |
| 1576 | T | 92.7 | Very high | 82.2 | Confident | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.012 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 127.4 | 170.3 | -46.3 | 0 | 0 | 0 | 0 | 109.6 | E1045 Y1557 F1558 R1559 I1636 F1637 K1638 | E1045-T1576 VanDerWaalsContact OE1-CB 3.29Å; E1045-T1576 WeakPolarHBondContact OE1-CB 3.35Å; E1045-T1576 WeakPolarHBondContact OE1-CG2 3.22Å; E1045-T1576 PolarHBondContact OE1-OG1 2.98Å; Y1557-T1576 HydrophobicContact CD1-CG2 4.14Å; Y1557-T1576 HydrophobicContact CE1-CG2 4.04Å; F1558-T1576 WeakPolarHBondContact CA-O 3.16Å; R1559-T1576 PolarHBondContact N-O 3.47Å; R1559-T1576 PolarHBondContact O-N 3.33Å; T1576-I1636 HydrophobicContact CG2-CG2 3.97Å; T1576-F1637 WeakPolarHBondContact CA-O 3.5Å; T1576-K1638 HydrophobicContact CG2-CD 4.29Å; T1576-K1638 WeakPolarHBondContact OG1-CE 3.42Å; T1576-K1638 PolarHBondContact OG1-NZ 3.18Å |
| 1577 | I | 92.7 | Very high | 79.8 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 122.8 | 176.3 | -41.4 | -177.8 | 0 | 0 | 0 | 110.7 | I1556 Y1557 F1558 I1575 I1617 L1620 L1621 F1637 I1639 | I1556-I1577 HydrophobicContact CG2-CG2 4.14Å; Y1557-I1577 WeakPolarHBondContact O-CA 3.38Å; F1558-I1577 HydrophobicContact CD2-CD1 4.11Å; F1558-I1577 HydrophobicContact CD2-CG1 4Å; F1558-I1577 HydrophobicContact CE2-CD1 4.18Å; F1558-I1577 HydrophobicContact CE2-CG1 4.4Å; I1575-I1577 HydrophobicContact CG2-CD1 4.02Å; I1575-I1577 HydrophobicContact CG2-CG1 3.84Å; I1577-I1617 HydrophobicContact CD1-CG2 4.24Å; I1577-L1620 HydrophobicContact CB-CD2 3.99Å; I1577-L1620 HydrophobicContact CD1-CD2 4.02Å; I1577-L1620 HydrophobicContact CG2-CD2 4.03Å; I1577-L1620 HydrophobicContact CG2-CG 4.04Å; I1577-L1621 HydrophobicContact CD1-CD2 3.99Å; I1577-L1621 HydrophobicContact CD1-CG 4.34Å; I1577-L1621 HydrophobicContact CG2-CD2 3.81Å; I1577-F1637 HydrophobicContact CB-CB 4.28Å; I1577-F1637 PolarHBondContact N-O 3.34Å; I1577-F1637 PolarHBondContact O-N 3.5Å; I1577-I1639 HydrophobicContact CD1-CD1 4.27Å |
| 1578 | T | 91.3 | Very high | 77.8 | Confident | 4 Ų | 4 | 49.7 Ų | 49.7 | 3% | 0.025 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 174 | 172.2 | -165.6 | 0 | 0 | 0 | 0 | 110 | Y1557 I1590 R1593 R1632 F1635 I1636 | Y1557-T1578 HydrophobicContact CG-CG2 4.44Å; Y1557-T1578 PolarHBondContact N-O 3.23Å; Y1557-T1578 PolarHBondContact O-N 2.96Å; T1578-I1590 HydrophobicContact CG2-CD1 4.34Å; T1578-R1593 PolarHBondContact OG1-NH1 2.68Å; T1578-R1632 PolarHBondContact OG1-O 2.77Å; T1578-F1635 PolarHBondContact OG1-O 3.42Å; T1578-I1636 HydrophobicContact CG2-CG1 4.36Å |
| 1579 | Q | 87.2 | Confident | 76.2 | Confident | 5 Ų | 5 | 50.9 Ų | 50.9 | 2% | 0.023 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 136.4 | 174.5 | -167.7 | 82.6 | 1.7 | 0 | 0 | 110 | E1555 R1593 R1632 K1633 | E1555-Q1579 PolarHBondContact OE2-NE2 3.49Å; Q1579-R1593 PolarHBondContact O-NH1 3.11Å; Q1579-R1632 HydrophobicContact CB-CB 4.01Å; Q1579-R1632 PolarHBondContact N-O 3.23Å; Q1579-R1632 VanDerWaalsContact OE1-NE 3.15Å; Q1579-K1633 HydrophobicContact CB-CG 4.01Å; Q1579-K1633 HydrophobicContact CG-CG 4.02Å |
| 1580 | I | 81.6 | Confident | 74.8 | Confident | 64 Ų | 64 | 49.6 Ų | 49.6 | 33% | 0.328 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 145.5 | 170.9 | -69 | 166.5 | 0 | 0 | 0 | 108.9 | N1554 E1555 Y1557 | N1554-I1580 VanDerWaalsContact O-CD1 3.22Å; N1554-I1580 WeakPolarHBondContact O-CD1 3.18Å; E1555-I1580 PolarHBondContact O-N 2.98Å; Y1557-I1580 HydrophobicContact CD2-CG1 4.44Å |
| 1581 | P | 68.9 | Low | 73.2 | Confident | 65 Ų | 65 | 49.9 Ų | 49.9 | 42% | 0.422 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 129.6 | 178.2 | -10.3 | 27.4 | 0 | 0 | 0 | 110.6 | S1583 I1590 | P1581-S1583 PolarHBondContact O-N 3.11Å; P1581-I1590 HydrophobicContact CG-CD1 3.61Å; P1581-I1590 HydrophobicContact CG-CG1 4Å |
| 1582 | D | 64 | Low | 72.2 | Confident | 94 Ų | 94 | 56.7 Ų | 56.7 | 50% | 0.503 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 130.8 | 167.9 | -67.9 | -53.9 | 0 | 0 | 0 | 109.5 | S1584 D1585 | D1582-S1584 PolarHBondContact O-N 2.96Å; D1582-D1585 PolarHBondContact O-N 2.69Å |
| 1583 | S | 57.8 | Low | 71.7 | Confident | 137 Ų | 137 | 57.3 Ų | 57.3 | 96% | 0.958 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | 5 | -174.3 | 54.9 | 0 | 0 | 0 | 0 | 115.2 | P1581 | P1581-S1583 PolarHBondContact O-N 3.11Š|
| 1584 | S | 54.4 | Low | 71.4 | Confident | 110 Ų | 110 | 59.8 Ų | 59.8 | 77% | 0.769 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.7 | -8.2 | 173.9 | 57.1 | 0 | 0 | 0 | 0 | 114.2 | D1582 | D1582-S1584 PolarHBondContact O-N 2.96Š|
| 1585 | D | 49.4 | Very low | 71.4 | Confident | 84 Ų | 84 | 60.8 Ų | 60.8 | 45% | 0.449 | 34% | 0.342 | S | S | . | . | trans | -122.8 | 74.2 | -169.5 | -153.2 | -20.3 | 0 | 0 | 0 | 112.6 | D1582 S1587 | D1582-D1585 PolarHBondContact O-N 2.69Å; D1585-S1587 PolarHBondContact O-N 3.42Å; D1585-S1587 VanDerWaalsContact OD1-CB 3.31Å; D1585-S1587 WeakPolarHBondContact OD1-CB 3.09Å; D1585-S1587 PolarHBondContact OD1-N 3.23Å; D1585-S1587 PolarHBondContact OD1-OG 2.61Å | ||
| 1586 | E | 45.1 | Very low | 71.4 | Confident | 196 Ų | 196 | 60.8 Ų | 60.8 | 92% | 0.916 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -5.8 | 175.5 | -62.9 | -170.2 | 145.4 | 0 | 0 | 113.6 | ||
| 1587 | S | 45.9 | Very low | 71.7 | Confident | 86 Ų | 86 | 60.7 Ų | 60.7 | 60% | 0.601 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -24.2 | -172.1 | 78.4 | 0 | 0 | 0 | 0 | 114.9 | D1585 | D1585-S1587 PolarHBondContact O-N 3.42Å; D1585-S1587 VanDerWaalsContact OD1-CB 3.31Å; D1585-S1587 WeakPolarHBondContact OD1-CB 3.09Å; D1585-S1587 PolarHBondContact OD1-N 3.23Å; D1585-S1587 PolarHBondContact OD1-OG 2.61Å |
| 1588 | I | 51.2 | Low | 71.9 | Confident | 87 Ų | 87 | 60.7 Ų | 60.7 | 45% | 0.446 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -122.9 | 66 | -179.4 | -44.5 | -176.9 | 0 | 0 | 0 | 111.3 | I1590 R1593 | I1588-I1590 PolarHBondContact O-N 2.96Å; I1588-R1593 HydrophobicContact CG2-CG 4.5Å |
| 1589 | N | 59.3 | Low | 72.3 | Confident | 64 Ų | 64 | 60.5 Ų | 60.5 | 34% | 0.342 | 34% | 0.34 | S | S | . | . | trans | -57.5 | 129.4 | 173.9 | -169 | 4.3 | 0 | 0 | 0 | 111.2 | N1591 Q1592 | N1589-N1591 HydrophobicContact CB-CB 4.09Å; N1589-N1591 VanDerWaalsContact CG-CB 3.44Å; N1589-N1591 WeakPolarHBondContact ND2-CB 3.32Å; N1589-N1591 PolarHBondContact ND2-ND2 2.77Å; N1589-N1591 PolarHBondContact O-N 2.96Å; N1589-N1591 VanDerWaalsContact O-N 3.11Å; N1589-N1591 PolarHBondContact OD1-OD1 2.65Å; N1589-Q1592 PolarHBondContact O-N 3.17Å | ||
| 1590 | I | 63.5 | Low | 72.8 | Confident | 35 Ų | 35 | 60.2 Ų | 60.2 | 18% | 0.179 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -52.7 | -37.9 | -175.2 | -90.7 | 173.6 | 0 | 0 | 0 | 112.1 | T1578 P1581 I1588 Q1592 R1593 I1636 R1692 | T1578-I1590 HydrophobicContact CG2-CD1 4.34Å; P1581-I1590 HydrophobicContact CG-CD1 3.61Å; P1581-I1590 HydrophobicContact CG-CG1 4Å; I1588-I1590 PolarHBondContact O-N 2.96Å; I1590-Q1592 PolarHBondContact O-N 2.93Å; I1590-R1593 PolarHBondContact O-N 3.08Å; I1590-I1636 HydrophobicContact CG2-CD1 4.04Å; I1590-R1692 PolarHBondContact O-NH2 2.84Å |
| 1591 | N | 62.6 | Low | 73.5 | Confident | 6 Ų | 6 | 57.3 Ų | 57.3 | 3% | 0.032 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -27.4 | -38.3 | 159.4 | -70.5 | 38.9 | 0 | 0 | 0 | 117.4 | L1049 S1051 E1052 N1589 R1692 | L1049-N1591 HydrophobicContact CD2-CB 4.47Å; L1049-N1591 VanDerWaalsContact CD2-OD1 3.28Å; L1049-N1591 WeakPolarHBondContact CD2-OD1 3.47Å; S1051-N1591 PolarHBondContact OG-ND2 2.89Å; S1051-N1591 VanDerWaalsContact OG-ND2 3.11Å; E1052-N1591 VanDerWaalsContact OE1-CB 3.25Å; E1052-N1591 WeakPolarHBondContact OE1-CB 3.46Å; E1052-N1591 PolarHBondContact OE1-ND2 3.35Å; E1052-N1591 WeakPolarHBondContact OE2-CA 3.36Å; E1052-N1591 WeakPolarHBondContact OE2-CB 3.44Å; E1052-N1591 VanDerWaalsContact OE2-CG 3.31Å; E1052-N1591 PolarHBondContact OE2-ND2 3.08Å; N1589-N1591 HydrophobicContact CB-CB 4.09Å; N1589-N1591 VanDerWaalsContact CG-CB 3.44Å; N1589-N1591 WeakPolarHBondContact ND2-CB 3.32Å; N1589-N1591 PolarHBondContact ND2-ND2 2.77Å; N1589-N1591 PolarHBondContact O-N 2.96Å; N1589-N1591 VanDerWaalsContact O-N 3.11Å; N1589-N1591 PolarHBondContact OD1-OD1 2.65Å; N1591-R1692 VanDerWaalsContact C-CZ 3.47Å; N1591-R1692 WeakPolarHBondContact O-CD 3.45Å; N1591-R1692 PolarHBondContact O-NE 3.03Å; N1591-R1692 VanDerWaalsContact O-NE 3.14Å; N1591-R1692 PolarHBondContact O-NH1 3.4Å; N1591-R1692 PolarHBondContact O-NH2 3.38Å |
| 1592 | Q | 71.5 | Confident | 74.9 | Confident | 152 Ų | 152 | 54.2 Ų | 54.2 | 71% | 0.71 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -101.8 | -8.4 | -175.3 | -63.3 | -174.6 | 1 | 0 | 0 | 113.9 | N1589 I1590 | N1589-Q1592 PolarHBondContact O-N 3.17Å; I1590-Q1592 PolarHBondContact O-N 2.93Å |
| 1593 | R | 84 | Confident | 76.5 | Confident | 13 Ų | 13 | 49.8 Ų | 49.8 | 5% | 0.049 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 130.7 | -174.9 | -63.1 | 179.4 | -169.9 | 174.1 | 5.3 | 111.6 | T1578 Q1579 I1588 I1590 R1632 K1633 I1636 R1692 | T1578-R1593 PolarHBondContact OG1-NH1 2.68Å; Q1579-R1593 PolarHBondContact O-NH1 3.11Å; I1588-R1593 HydrophobicContact CG2-CG 4.5Å; I1590-R1593 PolarHBondContact O-N 3.08Å; R1593-R1632 PolarHBondContact NH1-O 3.23Å; R1593-K1633 WeakPolarHBondContact CD-O 3.41Å; R1593-K1633 PolarHBondContact NE-O 3.18Å; R1593-K1633 VanDerWaalsContact NE-O 3.08Å; R1593-I1636 HydrophobicContact CB-CD1 4.17Å; R1593-I1636 HydrophobicContact CB-CG1 3.93Å; R1593-R1692 PolarHBondContact O-NH2 3.34Å |
| 1594 | P | 88.8 | Confident | 78.4 | Confident | 52 Ų | 52 | 43.4 Ų | 43.4 | 34% | 0.338 | 24% | 0.236 | S | C | . | . | P | Polyproline II helix | trans | -62.4 | 147.1 | 173.7 | 19.4 | -30.3 | 0 | 0 | 0 | 113.4 | M1634 F1635 I1636 Y1695 | P1594-M1634 WeakPolarHBondContact CD-O 3.5Å; P1594-F1635 HydrophobicContact CB-CD1 4.07Å; P1594-F1635 HydrophobicContact CB-CE1 4.19Å; P1594-F1635 HydrophobicContact CG-CD1 3.64Å; P1594-F1635 HydrophobicContact CG-CE1 3.67Å; P1594-F1635 WeakPolarHBondContact O-CA 3.26Å; P1594-I1636 PolarHBondContact O-N 3.42Å; P1594-Y1695 HydrophobicContact CB-CG 4.43Å |
| 1595 | Y | 92.5 | Very high | 80.4 | Confident | 20 Ų | 20 | 38.2 Ų | 38.2 | 8% | 0.078 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 139.6 | 174.2 | -70.8 | -80.9 | 0 | 0 | 0 | 112.2 | I1636 K1638 L1687 R1692 P1694 Y1695 | Y1595-I1636 WeakPolarHBondContact CA-O 3.29Å; Y1595-I1636 HydrophobicContact CD1-CB 3.73Å; Y1595-I1636 HydrophobicContact CD1-CG2 3.86Å; Y1595-I1636 HydrophobicContact CE1-CB 3.78Å; Y1595-I1636 HydrophobicContact CE1-CD1 3.87Å; Y1595-I1636 HydrophobicContact CE1-CG1 4.44Å; Y1595-I1636 HydrophobicContact CE1-CG2 3.63Å; Y1595-K1638 HydrophobicContact CD1-CG 4.07Å; Y1595-K1638 HydrophobicContact CE1-CG 4.33Å; Y1595-L1687 HydrophobicContact CD2-CD1 4.32Å; Y1595-L1687 HydrophobicContact CD2-CD2 3.92Å; Y1595-L1687 HydrophobicContact CE1-CD2 4.38Å; Y1595-L1687 HydrophobicContact CE2-CD2 3.49Å; Y1595-L1687 VanDerWaalsContact CE2-CD2 3.49Å; Y1595-L1687 HydrophobicContact CG-CD1 4.32Å; Y1595-R1692 HydrophobicContact CD2-CB 4.15Å; Y1595-R1692 HydrophobicContact CE2-CB 3.98Å; Y1595-P1694 WeakPolarHBondContact O-CA 3.46Å; Y1595-Y1695 PolarHBondContact O-N 2.95Å |
| 1596 | I | 96 | Very high | 82.7 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 123 | 162.4 | -65.8 | 178.9 | 0 | 0 | 0 | 107.3 | L1598 F1635 I1636 F1637 K1638 I1696 F1849 | I1596-L1598 HydrophobicContact CG2-CD2 3.78Å; I1596-L1598 HydrophobicContact CG2-CG 4.13Å; I1596-F1635 HydrophobicContact CD1-CB 3.99Å; I1596-F1635 HydrophobicContact CD1-CD1 3.55Å; I1596-F1635 HydrophobicContact CD1-CD2 3.88Å; I1596-F1635 HydrophobicContact CD1-CE1 3.95Å; I1596-F1635 HydrophobicContact CD1-CE2 4.24Å; I1596-F1635 HydrophobicContact CD1-CG 3.52Å; I1596-F1635 HydrophobicContact CD1-CZ 4.27Å; I1596-F1635 HydrophobicContact CG1-CB 4.25Å; I1596-F1635 HydrophobicContact CG1-CD1 3.65Å; I1596-F1635 HydrophobicContact CG1-CE1 4.19Å; I1596-F1635 HydrophobicContact CG1-CG 4Å; I1596-I1636 PolarHBondContact N-O 3.47Å; I1596-F1637 HydrophobicContact CB-CD1 3.99Å; I1596-F1637 HydrophobicContact CB-CE1 4.04Å; I1596-F1637 HydrophobicContact CD1-CE1 3.79Å; I1596-F1637 HydrophobicContact CD1-CZ 3.87Å; I1596-F1637 HydrophobicContact CG1-CE1 4.48Å; I1596-F1637 HydrophobicContact CG2-CD1 3.95Å; I1596-F1637 HydrophobicContact CG2-CE1 3.92Å; I1596-F1637 WeakPolarHBondContact O-CA 3.29Å; I1596-K1638 PolarHBondContact O-N 3.42Å; I1596-I1696 HydrophobicContact CD1-CD1 4.21Å; I1596-I1696 HydrophobicContact CG1-CB 4.31Å; I1596-I1696 HydrophobicContact CG1-CD1 4.44Å; I1596-I1696 HydrophobicContact CG2-CB 4.29Å; I1596-I1696 HydrophobicContact CG2-CG2 4.4Å; I1596-F1849 HydrophobicContact CD1-CB 4.34Å; I1596-F1849 HydrophobicContact CD1-CD2 4.02Å; I1596-F1849 HydrophobicContact CD1-CG 4.18Å; I1596-F1849 HydrophobicContact CG2-CE2 4.15Å; I1596-F1849 HydrophobicContact CG2-CZ 4.4Å |
| 1597 | I | 97.1 | Very high | 85.1 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 126.2 | -178.7 | -50.3 | -163.4 | 0 | 0 | 0 | 111.1 | K1638 M1684 L1687 P1694 I1696 F1697 I1698 | I1597-K1638 WeakPolarHBondContact CA-O 3.49Å; I1597-K1638 HydrophobicContact CD1-CB 4.45Å; I1597-K1638 HydrophobicContact CG1-CB 4.14Å; I1597-M1684 HydrophobicContact CB-CE 4.04Å; I1597-M1684 HydrophobicContact CD1-CE 3.94Å; I1597-M1684 HydrophobicContact CD1-SD 3.95Å; I1597-M1684 HydrophobicContact CG2-CE 3.64Å; I1597-L1687 HydrophobicContact CD1-CD1 3.61Å; I1597-P1694 HydrophobicContact CD1-CB 4.36Å; I1597-P1694 HydrophobicContact CD1-CG 3.52Å; I1597-P1694 HydrophobicContact CG1-CB 4.1Å; I1597-P1694 HydrophobicContact CG1-CG 3.8Å; I1597-I1696 PolarHBondContact N-O 3.19Å; I1597-F1697 HydrophobicContact CB-CD2 4.21Å; I1597-F1697 HydrophobicContact CG2-CD2 4.24Å; I1597-F1697 HydrophobicContact CG2-CE2 4.49Å; I1597-F1697 WeakPolarHBondContact O-CA 3.49Å; I1597-I1698 PolarHBondContact O-N 2.69Å |
| 1598 | L | 98.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 122.3 | -175 | -53.4 | -179 | 0 | 0 | 0 | 109.6 | I1596 I1613 L1616 F1637 K1638 I1639 I1640 I1698 F1700 F1849 | I1596-L1598 HydrophobicContact CG2-CD2 3.78Å; I1596-L1598 HydrophobicContact CG2-CG 4.13Å; L1598-I1613 HydrophobicContact CB-CD1 4.27Å; L1598-I1613 HydrophobicContact CD1-CD1 4.44Å; L1598-L1616 HydrophobicContact CD1-CD1 3.72Å; L1598-L1616 HydrophobicContact CD1-CD2 3.76Å; L1598-L1616 HydrophobicContact CD1-CG 4.43Å; L1598-F1637 HydrophobicContact CD1-CD1 4.49Å; L1598-K1638 PolarHBondContact N-O 2.98Å; L1598-I1639 HydrophobicContact CB-CG1 4.34Å; L1598-I1639 HydrophobicContact CB-CG2 4.29Å; L1598-I1639 HydrophobicContact CD1-CD1 4.27Å; L1598-I1639 HydrophobicContact CD1-CG1 4.2Å; L1598-I1639 WeakPolarHBondContact O-CA 3.33Å; L1598-I1640 PolarHBondContact O-N 3.21Å; L1598-I1698 WeakPolarHBondContact CA-O 3.43Å; L1598-I1698 HydrophobicContact CD2-CB 3.94Å; L1598-I1698 HydrophobicContact CD2-CD1 4.16Å; L1598-I1698 HydrophobicContact CD2-CG1 4.06Å; L1598-F1700 HydrophobicContact CB-CE2 4.04Å; L1598-F1700 HydrophobicContact CD2-CE2 3.96Å; L1598-F1700 HydrophobicContact CD2-CZ 4.39Å; L1598-F1700 HydrophobicContact CG-CE2 4.37Å; L1598-F1849 HydrophobicContact CD2-CZ 4.23Å |
| 1599 | T | 98.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 147.9 | 177.4 | 53.9 | 0 | 0 | 0 | 0 | 111.4 | I1640 L1643 T1680 F1697 I1698 D1699 F1700 | T1599-I1640 HydrophobicContact CG2-CB 4.23Å; T1599-I1640 HydrophobicContact CG2-CD1 4.03Å; T1599-L1643 HydrophobicContact CG2-CD1 4.05Å; T1599-T1680 HydrophobicContact CG2-CG2 4.04Å; T1599-F1697 HydrophobicContact CG2-CE2 3.81Å; T1599-F1697 HydrophobicContact CG2-CZ 4.24Å; T1599-F1697 VanDerWaalsContact OG1-CZ 3.28Å; T1599-F1697 WeakPolarHBondContact OG1-CZ 3.39Å; T1599-I1698 PolarHBondContact N-O 3.12Å; T1599-I1698 PolarHBondContact OG1-O 3.23Å; T1599-D1699 WeakPolarHBondContact CB-OD1 3.41Å; T1599-D1699 CarbonylContact O-C 3.33Å; T1599-D1699 WeakPolarHBondContact O-CA 3.4Å; T1599-D1699 WeakPolarHBondContact OG1-CA 3.42Å; T1599-D1699 VanDerWaalsContact OG1-CG 3.3Å; T1599-D1699 PolarHBondContact OG1-OD1 3.07Å; T1599-F1700 WeakPolarHBondContact O-CD2 3.33Å; T1599-F1700 PolarHBondContact O-N 2.9Å |
| 1600 | C | 97.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 152.6 | -167.2 | -176.3 | 0 | 0 | 0 | 0 | 111.5 | V1602 S1609 I1613 I1640 P1641 M1642 L1643 | C1600-V1602 VanDerWaalsContact C-N 3.29Å; C1600-V1602 PolarHBondContact O-N 3.14Å; C1600-S1609 VanDerWaalsContact SG-CB 3.53Å; C1600-S1609 PolarHBondContact SG-O 2.91Å; C1600-S1609 VanDerWaalsContact SG-O 3.32Å; C1600-S1609 PolarHBondContact SG-OG 2.97Å; C1600-I1613 HydrophobicContact CB-CG1 3.76Å; C1600-I1640 PolarHBondContact N-O 3.49Å; C1600-I1640 VanDerWaalsContact N-O 3.13Å; C1600-P1641 WeakPolarHBondContact CB-O 3.42Å; C1600-M1642 CarbonylContact O-C 3.31Å; C1600-M1642 WeakPolarHBondContact O-CA 3.44Å; C1600-L1643 PolarHBondContact O-N 3.04Å |
| 1601 | R | 97.6 | Very high | 93 | Very high | 2 Ų | 2 | 12.9 Ų | 12.9 | 1% | 0.008 | 6% | 0.063 | C | C | . | . | trans | 51.5 | 42.8 | 178.4 | -50.5 | -80.9 | -95.8 | 133.8 | 1.7 | 113.3 | Y1533 H1603 P1604 E1606 S1609 S1610 M1642 N1644 | Y1533-R1601 PolarHBondContact O-NH2 3.07Å; R1601-H1603 PolarHBondContact O-N 2.96Å; R1601-P1604 PolarHBondContact NH1-O 3.44Å; R1601-P1604 PolarHBondContact NH2-O 3.42Å; R1601-E1606 WeakPolarHBondContact CD-O 3.2Å; R1601-E1606 VanDerWaalsContact NH1-C 3.34Å; R1601-S1609 VanDerWaalsContact CD-OG 3.26Å; R1601-S1609 WeakPolarHBondContact CD-OG 3.33Å; R1601-S1609 PolarHBondContact N-OG 3.05Å; R1601-S1610 WeakPolarHBondContact CD-OG 3.15Å; R1601-S1610 WeakPolarHBondContact CG-OG 3.44Å; R1601-S1610 PolarHBondContact NE-OG 3.03Å; R1601-S1610 VanDerWaalsContact NE-OG 3.12Å; R1601-M1642 HydrophobicContact CB-CB 4.4Å; R1601-M1642 HydrophobicContact CB-CG 3.88Å; R1601-M1642 HydrophobicContact CG-CE 4.48Å; R1601-M1642 HydrophobicContact CG-CG 4.33Å; R1601-N1644 WeakPolarHBondContact O-CB 3.24Å; R1601-N1644 PolarHBondContact O-N 3.41Å; R1601-N1644 VanDerWaalsContact O-N 3.11Å | ||
| 1602 | V | 97.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 6% | 0.062 | C | C | . | . | S | Bend | trans | -64.8 | -30.4 | 165.9 | 63.6 | 0 | 0 | 0 | 0 | 110.4 | C1600 L1643 N1644 L1662 N1663 I1677 H1701 | C1600-V1602 VanDerWaalsContact C-N 3.29Å; C1600-V1602 PolarHBondContact O-N 3.14Å; V1602-L1643 HydrophobicContact CB-CB 4.03Å; V1602-L1643 HydrophobicContact CB-CD1 3.91Å; V1602-L1643 HydrophobicContact CG2-CB 4.46Å; V1602-L1643 HydrophobicContact CG2-CD1 4.25Å; V1602-N1644 WeakPolarHBondContact O-CB 3.25Å; V1602-N1644 PolarHBondContact O-ND2 3.23Å; V1602-N1644 VanDerWaalsContact O-ND2 3.14Å; V1602-L1662 HydrophobicContact CG2-CB 3.46Å; V1602-L1662 VanDerWaalsContact CG2-CB 3.46Å; V1602-L1662 HydrophobicContact CG2-CD1 4.43Å; V1602-N1663 HydrophobicContact CG1-CB 4.11Å; V1602-N1663 HydrophobicContact CG2-CB 4.13Å; V1602-I1677 HydrophobicContact CG2-CD1 4.01Å; V1602-H1701 WeakPolarHBondContact CG1-CE1 3.5Å |
| 1603 | H | 98 | Very high | 95.9 | Very high | 2 Ų | 2 | 5.6 Ų | 5.6 | 1% | 0.009 | 3% | 0.029 | C | C | . | . | S | Bend | trans | -101.7 | 128.7 | 164.7 | -46.5 | 138.1 | 0 | 0 | 0 | 110.9 | R1601 G1605 E1606 R1654 D1661 N1663 H1701 | R1601-H1603 PolarHBondContact O-N 2.96Å; H1603-G1605 PolarHBondContact O-N 3.26Å; H1603-E1606 VanDerWaalsContact CB-CD 3.5Å; H1603-E1606 HydrophobicContact CB-CG 4.12Å; H1603-E1606 WeakPolarHBondContact CB-OE1 3.3Å; H1603-E1606 IonicContact CE1-OE1 3.23Å; H1603-E1606 IonicContact CE1-OE2 3.53Å; H1603-E1606 IonicContact CG-OE1 3.86Å; H1603-E1606 IonicContact CG-OE2 2.68Å; H1603-E1606 IonicContact ND1-OE1 2.78Å; H1603-E1606 PolarHBondContact ND1-OE1 3.4Å; H1603-E1606 IonicContact ND1-OE2 3.03Å; H1603-E1606 PolarHBondContact ND1-OE2 3.23Å; H1603-E1606 PolarHBondContact O-N 3.22Å; H1603-R1654 PolarHBondContact CE1-NH1 3.3Å; H1603-R1654 PolarHBondContact CE1-NH2 2.94Å; H1603-R1654 VanDerWaalsContact CE1-NH2 3.26Å; H1603-R1654 PolarHBondContact ND1-NH1 2.94Å; H1603-R1654 VanDerWaalsContact ND1-NH1 3.16Å; H1603-R1654 VanDerWaalsContact NE2-CZ 3.33Å; H1603-R1654 PolarHBondContact NE2-NE 3.34Å; H1603-R1654 PolarHBondContact NE2-NH2 2.59Å; H1603-D1661 IonicContact CD2-OD1 3.84Å; H1603-D1661 IonicContact NE2-OD1 2.75Å; H1603-D1661 PolarHBondContact NE2-OD1 2.99Å; H1603-D1661 IonicContact NE2-OD2 3.65Å; H1603-N1663 WeakPolarHBondContact NE2-CB 3.35Å; H1603-H1701 AromaticContact CE1-CE1 3.12Å; H1603-H1701 PolarHBondContact CE1-CE1 3.21Å; H1603-H1701 AromaticContact CE1-ND1 3.39Å; H1603-H1701 PolarHBondContact CE1-ND1 3.34Å; H1603-H1701 AromaticContact ND1-CE1 3.36Å; H1603-H1701 PolarHBondContact ND1-CE1 2.74Å; H1603-H1701 AromaticContact ND1-ND1 3.22Å; H1603-H1701 PolarHBondContact ND1-ND1 3.05Å; H1603-H1701 AromaticContact NE2-CE1 3.91Å |
| 1604 | P | 97.3 | Very high | 96.5 | Very high | 3 Ų | 3 | 5.7 Ų | 5.7 | 2% | 0.019 | 3% | 0.03 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -8.1 | -170.1 | 27.9 | -34 | 0 | 0 | 0 | 116.3 | R1601 G1647 V1648 N1652 H1653 R1654 | R1601-P1604 PolarHBondContact NH1-O 3.44Å; R1601-P1604 PolarHBondContact NH2-O 3.42Å; P1604-G1647 WeakPolarHBondContact CB-O 3.47Å; P1604-V1648 HydrophobicContact CB-CB 4.46Å; P1604-V1648 HydrophobicContact CB-CG2 3.79Å; P1604-V1648 VanDerWaalsContact CB-N 3.32Å; P1604-N1652 CarbonylContact C-O 3.59Å; P1604-N1652 HydrophobicContact CB-CB 4.25Å; P1604-N1652 HydrophobicContact CG-CB 3.45Å; P1604-N1652 VanDerWaalsContact CG-CB 3.45Å; P1604-N1652 WeakPolarHBondContact CG-O 3.28Å; P1604-H1653 WeakPolarHBondContact CD-O 3.24Å; P1604-R1654 WeakPolarHBondContact CD-O 3.3Å |
| 1605 | G | 96 | Very high | 96.8 | Very high | 0 Ų | 0 | 3.5 Ų | 3.5 | 0% | 0 | 2% | 0.017 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -4.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115 | H1603 S1607 N1652 H1653 Y1792 | H1603-G1605 PolarHBondContact O-N 3.26Å; G1605-S1607 VanDerWaalsContact C-N 3.32Å; G1605-S1607 PolarHBondContact O-N 3.43Å; G1605-N1652 PolarHBondContact N-O 3.23Å; G1605-H1653 WeakPolarHBondContact CA-O 3.3Å; G1605-H1653 PolarHBondContact N-O 2.85Å; G1605-Y1792 VanDerWaalsContact C-OH 3.27Å; G1605-Y1792 WeakPolarHBondContact O-CE1 3.5Å; G1605-Y1792 PolarHBondContact O-OH 3.44Å |
| 1606 | E | 97.6 | Very high | 97 | Very high | 4 Ų | 4 | 2.5 Ų | 2.5 | 2% | 0.019 | 1% | 0.013 | C | C | . | . | trans | -90.8 | 61.5 | -176 | -68.9 | 169 | -155.6 | 0 | 0 | 109.9 | R1601 H1603 N1608 S1609 R1654 H1701 G1702 Y1792 | R1601-E1606 WeakPolarHBondContact CD-O 3.2Å; R1601-E1606 VanDerWaalsContact NH1-C 3.34Å; H1603-E1606 VanDerWaalsContact CB-CD 3.5Å; H1603-E1606 HydrophobicContact CB-CG 4.12Å; H1603-E1606 WeakPolarHBondContact CB-OE1 3.3Å; H1603-E1606 IonicContact CE1-OE1 3.23Å; H1603-E1606 IonicContact CE1-OE2 3.53Å; H1603-E1606 IonicContact CG-OE1 3.86Å; H1603-E1606 IonicContact CG-OE2 2.68Å; H1603-E1606 IonicContact ND1-OE1 2.78Å; H1603-E1606 PolarHBondContact ND1-OE1 3.4Å; H1603-E1606 IonicContact ND1-OE2 3.03Å; H1603-E1606 PolarHBondContact ND1-OE2 3.23Å; H1603-E1606 PolarHBondContact O-N 3.22Å; E1606-N1608 VanDerWaalsContact C-N 3.29Å; E1606-N1608 PolarHBondContact O-N 3.03Å; E1606-S1609 PolarHBondContact O-N 3.44Å; E1606-S1609 PolarHBondContact O-OG 3.01Å; E1606-R1654 IonicContact OE1-NH1 3.83Å; E1606-R1654 PolarHBondContact OE1-NH1 3.13Å; E1606-H1701 WeakPolarHBondContact OE2-CA 3.33Å; E1606-H1701 IonicContact OE2-CE1 3.41Å; E1606-H1701 IonicContact OE2-CG 3.46Å; E1606-H1701 IonicContact OE2-ND1 3.96Å; E1606-H1701 PolarHBondContact OE2-ND1 2.89Å; E1606-G1702 PolarHBondContact OE2-N 3.14Å; E1606-Y1792 WeakPolarHBondContact CA-OH 3.11Å; E1606-Y1792 VanDerWaalsContact CG-OH 3.3Å; E1606-Y1792 WeakPolarHBondContact CG-OH 3.38Å | ||
| 1607 | S | 96.5 | Very high | 97 | Very high | 0 Ų | 0 | 2.5 Ų | 2.5 | 0% | 0 | 1% | 0.013 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -21.5 | -170.2 | 62.7 | 0 | 0 | 0 | 0 | 114.6 | Y1531 G1605 S1609 S1610 W1611 | Y1531-S1607 VanDerWaalsContact O-CB 3.28Å; Y1531-S1607 WeakPolarHBondContact O-CB 3.35Å; Y1531-S1607 PolarHBondContact O-OG 3.05Å; G1605-S1607 VanDerWaalsContact C-N 3.32Å; G1605-S1607 PolarHBondContact O-N 3.43Å; S1607-S1609 PolarHBondContact O-N 2.62Å; S1607-S1610 WeakPolarHBondContact O-CB 3.19Å; S1607-S1610 PolarHBondContact O-N 3.43Å; S1607-S1610 VanDerWaalsContact O-N 3.1Å; S1607-W1611 VanDerWaalsContact O-CD1 3.29Å; S1607-W1611 PolarHBondContact O-N 3.18Å |
| 1608 | N | 95.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -59.2 | -30.4 | 173 | 49.5 | -5.7 | 0 | 0 | 0 | 113.1 | E1606 S1610 W1611 I1612 G1702 A1790 S1791 L1838 | E1606-N1608 VanDerWaalsContact C-N 3.29Å; E1606-N1608 PolarHBondContact O-N 3.03Å; N1608-S1610 VanDerWaalsContact C-N 3.31Å; N1608-S1610 PolarHBondContact O-N 3.5Å; N1608-W1611 PolarHBondContact O-N 3.16Å; N1608-I1612 PolarHBondContact O-N 3.15Å; N1608-G1702 WeakPolarHBondContact OD1-CA 3.32Å; N1608-A1790 PolarHBondContact ND2-O 2.68Å; N1608-S1791 PolarHBondContact ND2-O 3.31Å; N1608-S1791 VanDerWaalsContact ND2-O 3.13Å; N1608-L1838 HydrophobicContact CB-CD1 3.6Å; N1608-L1838 HydrophobicContact CB-CD2 3.9Å; N1608-L1838 HydrophobicContact CB-CG 4.43Å |
| 1609 | S | 96.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -62.4 | -37.2 | 174.2 | 76.8 | 0 | 0 | 0 | 0 | 112.3 | C1600 R1601 E1606 S1607 I1612 I1613 F1700 | C1600-S1609 VanDerWaalsContact SG-CB 3.53Å; C1600-S1609 PolarHBondContact SG-O 2.91Å; C1600-S1609 VanDerWaalsContact SG-O 3.32Å; C1600-S1609 PolarHBondContact SG-OG 2.97Å; R1601-S1609 VanDerWaalsContact CD-OG 3.26Å; R1601-S1609 WeakPolarHBondContact CD-OG 3.33Å; R1601-S1609 PolarHBondContact N-OG 3.05Å; E1606-S1609 PolarHBondContact O-N 3.44Å; E1606-S1609 PolarHBondContact O-OG 3.01Å; S1607-S1609 PolarHBondContact O-N 2.62Å; S1609-I1612 PolarHBondContact O-N 3.28Å; S1609-I1613 PolarHBondContact O-N 3.46Å; S1609-I1613 VanDerWaalsContact O-N 3.09Å; S1609-F1700 WeakPolarHBondContact CB-O 3.33Å |
| 1610 | S | 97.3 | Very high | 96.3 | Very high | 3 Ų | 3 | 8 Ų | 8 | 2% | 0.021 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -65.8 | -38.7 | 176.1 | -72.2 | 0 | 0 | 0 | 0 | 112.3 | Y1533 R1601 S1607 N1608 I1612 I1613 K1614 | Y1533-S1610 WeakPolarHBondContact CD1-OG 3.41Å; Y1533-S1610 VanDerWaalsContact CG-CB 3.44Å; R1601-S1610 WeakPolarHBondContact CD-OG 3.15Å; R1601-S1610 WeakPolarHBondContact CG-OG 3.44Å; R1601-S1610 PolarHBondContact NE-OG 3.03Å; R1601-S1610 VanDerWaalsContact NE-OG 3.12Å; S1607-S1610 WeakPolarHBondContact O-CB 3.19Å; S1607-S1610 PolarHBondContact O-N 3.43Å; S1607-S1610 VanDerWaalsContact O-N 3.1Å; N1608-S1610 VanDerWaalsContact C-N 3.31Å; N1608-S1610 PolarHBondContact O-N 3.5Å; S1610-I1612 VanDerWaalsContact C-N 3.34Å; S1610-I1612 PolarHBondContact O-N 2.96Å; S1610-I1613 PolarHBondContact O-N 2.91Å; S1610-K1614 WeakPolarHBondContact O-CB 3.49Å; S1610-K1614 PolarHBondContact O-N 2.9Å |
| 1611 | W | 96.4 | Very high | 96 | Very high | 13 Ų | 13 | 8 Ų | 8 | 5% | 0.049 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -66.4 | -34.9 | 177.2 | -69.4 | 103 | 0 | 0 | 0 | 112.3 | Y1531 P1532 Y1533 S1607 N1608 K1614 G1615 P1835 L1838 M1839 | Y1531-W1611 PolarHBondContact O-NE1 2.86Å; P1532-W1611 WeakPolarHBondContact O-CZ2 3.38Å; P1532-W1611 PolarHBondContact O-NE1 3.27Å; Y1533-W1611 HydrophobicContact CD2-CD2 4.31Å; Y1533-W1611 AromaticContact CD2-CE2 3.98Å; Y1533-W1611 HydrophobicContact CD2-CH2 4.48Å; Y1533-W1611 HydrophobicContact CD2-CZ2 4.08Å; S1607-W1611 VanDerWaalsContact O-CD1 3.29Å; S1607-W1611 PolarHBondContact O-N 3.18Å; N1608-W1611 PolarHBondContact O-N 3.16Å; W1611-K1614 HydrophobicContact CE3-CD 4.35Å; W1611-K1614 HydrophobicContact CZ3-CD 4.25Å; W1611-G1615 PolarHBondContact O-N 3.42Å; W1611-G1615 VanDerWaalsContact O-N 3.17Å; W1611-P1835 HydrophobicContact CD2-CB 3.87Å; W1611-P1835 HydrophobicContact CE3-CB 3.77Å; W1611-P1835 HydrophobicContact CG-CB 4.36Å; W1611-P1835 HydrophobicContact CZ3-CB 4.1Å; W1611-L1838 HydrophobicContact CB-CB 3.83Å; W1611-L1838 HydrophobicContact CB-CD1 4Å; W1611-M1839 HydrophobicContact CE3-CG 4.43Å; W1611-M1839 HydrophobicContact CE3-SD 3.99Å; W1611-M1839 HydrophobicContact CZ3-SD 4.31Å; W1611-M1839 WeakPolarHBondContact O-CG 3.47Å |
| 1612 | I | 97.7 | Very high | 95.5 | Very high | 1 Ų | 1 | 9 Ų | 9 | 1% | 0.005 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -62.6 | -50.7 | 170.6 | -63.5 | 169.6 | 0 | 0 | 0 | 110.7 | N1608 S1609 S1610 K1614 G1615 L1616 F1700 A1790 L1838 F1841 | N1608-I1612 PolarHBondContact O-N 3.15Å; S1609-I1612 PolarHBondContact O-N 3.28Å; S1610-I1612 VanDerWaalsContact C-N 3.34Å; S1610-I1612 PolarHBondContact O-N 2.96Å; I1612-K1614 VanDerWaalsContact C-N 3.31Å; I1612-K1614 PolarHBondContact O-N 3.27Å; I1612-G1615 PolarHBondContact O-N 3.41Å; I1612-L1616 WeakPolarHBondContact O-CB 3.22Å; I1612-L1616 PolarHBondContact O-N 2.88Å; I1612-F1700 HydrophobicContact CD1-CD1 4.45Å; I1612-F1700 HydrophobicContact CG2-CD1 3.9Å; I1612-F1700 HydrophobicContact CG2-CE1 3.67Å; I1612-A1790 HydrophobicContact CD1-CB 3.91Å; I1612-L1838 WeakPolarHBondContact CA-O 3.4Å; I1612-L1838 HydrophobicContact CD1-CD2 3.9Å; I1612-L1838 HydrophobicContact CG1-CB 3.94Å; I1612-L1838 HydrophobicContact CG1-CD2 3.78Å; I1612-L1838 HydrophobicContact CG1-CG 4.5Å; I1612-F1841 HydrophobicContact CD1-CD1 4.02Å; I1612-F1841 HydrophobicContact CD1-CE1 4.47Å; I1612-F1841 HydrophobicContact CG1-CD1 4.2Å; I1612-F1841 HydrophobicContact CG2-CD1 3.87Å; I1612-F1841 HydrophobicContact CG2-CE1 4.35Å |
| 1613 | I | 97.5 | Very high | 94.5 | Very high | 4 Ų | 4 | 11.6 Ų | 11.6 | 2% | 0.021 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -63 | -36.2 | 179.5 | -71.6 | -61.7 | 0 | 0 | 0 | 112.1 | L1598 C1600 S1609 S1610 L1616 I1617 I1639 P1641 F1700 | L1598-I1613 HydrophobicContact CB-CD1 4.27Å; L1598-I1613 HydrophobicContact CD1-CD1 4.44Å; C1600-I1613 HydrophobicContact CB-CG1 3.76Å; S1609-I1613 PolarHBondContact O-N 3.46Å; S1609-I1613 VanDerWaalsContact O-N 3.09Å; S1610-I1613 PolarHBondContact O-N 2.91Å; I1613-L1616 PolarHBondContact O-N 3.28Å; I1613-I1617 HydrophobicContact CG2-CD1 3.56Å; I1613-I1617 HydrophobicContact CG2-CG1 4.28Å; I1613-I1617 VanDerWaalsContact O-CG1 3.31Å; I1613-I1617 WeakPolarHBondContact O-CG1 3.3Å; I1613-I1617 PolarHBondContact O-N 3.32Å; I1613-I1639 HydrophobicContact CD1-CG2 4.37Å; I1613-I1639 HydrophobicContact CG2-CG2 4.05Å; I1613-P1641 HydrophobicContact CG2-CB 3.91Å; I1613-F1700 HydrophobicContact CD1-CD2 3.82Å; I1613-F1700 HydrophobicContact CD1-CE2 3.68Å; I1613-F1700 HydrophobicContact CD1-CG 4.43Å; I1613-F1700 HydrophobicContact CD1-CZ 4.18Å; I1613-F1700 HydrophobicContact CG1-CD2 4.36Å |
| 1614 | K | 96 | Very high | 93.3 | Very high | 15 Ų | 15 | 19 Ų | 19 | 7% | 0.065 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.8 | -51.1 | 175.2 | -179.5 | 167.7 | -168.4 | -64.1 | 0 | 111.8 | Y1533 D1541 W1545 S1610 W1611 I1612 L1616 I1617 E1618 | Y1533-K1614 HydrophobicContact CE2-CD 3.94Å; D1541-K1614 WeakPolarHBondContact OD2-CD 3.33Å; D1541-K1614 WeakPolarHBondContact OD2-CE 3.48Å; W1545-K1614 HydrophobicContact CH2-CG 4.42Å; W1545-K1614 HydrophobicContact CZ2-CG 4.11Å; S1610-K1614 WeakPolarHBondContact O-CB 3.49Å; S1610-K1614 PolarHBondContact O-N 2.9Å; W1611-K1614 HydrophobicContact CE3-CD 4.35Å; W1611-K1614 HydrophobicContact CZ3-CD 4.25Å; I1612-K1614 VanDerWaalsContact C-N 3.31Å; I1612-K1614 PolarHBondContact O-N 3.27Å; K1614-L1616 VanDerWaalsContact C-N 3.31Å; K1614-L1616 PolarHBondContact O-N 3.37Å; K1614-I1617 PolarHBondContact O-N 2.77Å; K1614-E1618 IonicContact NZ-OE1 2.67Å; K1614-E1618 PolarHBondContact NZ-OE1 3.26Å; K1614-E1618 IonicContact NZ-OE2 3.49Å; K1614-E1618 PolarHBondContact NZ-OE2 3.02Å; K1614-E1618 WeakPolarHBondContact O-CB 3.48Å; K1614-E1618 WeakPolarHBondContact O-CG 3.37Å; K1614-E1618 PolarHBondContact O-N 3.13Å |
| 1615 | G | 95.2 | Very high | 92.5 | Very high | 6 Ų | 6 | 20.5 Ų | 20.5 | 6% | 0.062 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.8 | -35.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | W1611 I1612 Q1619 | W1611-G1615 PolarHBondContact O-N 3.42Å; W1611-G1615 VanDerWaalsContact O-N 3.17Å; I1612-G1615 PolarHBondContact O-N 3.41Å; G1615-Q1619 WeakPolarHBondContact O-CB 3.23Å; G1615-Q1619 PolarHBondContact O-N 3.04Å |
| 1616 | L | 96.8 | Very high | 92 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.1 | -48.6 | 173.9 | -173.5 | 150.8 | 0 | 0 | 0 | 111.6 | L1598 I1612 I1613 K1614 L1620 I1639 L1845 L1846 | L1598-L1616 HydrophobicContact CD1-CD1 3.72Å; L1598-L1616 HydrophobicContact CD1-CD2 3.76Å; L1598-L1616 HydrophobicContact CD1-CG 4.43Å; I1612-L1616 WeakPolarHBondContact O-CB 3.22Å; I1612-L1616 PolarHBondContact O-N 2.88Å; I1613-L1616 PolarHBondContact O-N 3.28Å; K1614-L1616 VanDerWaalsContact C-N 3.31Å; K1614-L1616 PolarHBondContact O-N 3.37Å; L1616-L1620 VanDerWaalsContact O-CB 3.3Å; L1616-L1620 WeakPolarHBondContact O-CB 3.27Å; L1616-L1620 PolarHBondContact O-N 2.78Å; L1616-I1639 HydrophobicContact CD2-CD1 3.86Å; L1616-L1845 HydrophobicContact CD1-CD2 4.2Å; L1616-L1846 HydrophobicContact CD1-CD2 4.13Å; L1616-L1846 HydrophobicContact CD1-CG 4.41Å; L1616-L1846 HydrophobicContact CD2-CD2 4.05Å; L1616-L1846 HydrophobicContact CG-CD1 4.16Å; L1616-L1846 HydrophobicContact CG-CD2 3.79Å; L1616-L1846 HydrophobicContact CG-CG 3.92Å; L1616-L1846 WeakPolarHBondContact O-CD1 3.19Å |
| 1617 | I | 95.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66 | -43.5 | 178.7 | -65.7 | 162.2 | 0 | 0 | 0 | 110.8 | W1545 I1575 I1577 I1613 K1614 Q1619 L1620 L1621 I1639 | W1545-I1617 HydrophobicContact CD2-CG2 3.81Å; W1545-I1617 HydrophobicContact CE3-CG2 3.63Å; W1545-I1617 HydrophobicContact CH2-CB 4.01Å; W1545-I1617 HydrophobicContact CH2-CD1 3.88Å; W1545-I1617 HydrophobicContact CH2-CG2 3.92Å; W1545-I1617 HydrophobicContact CZ2-CB 4.27Å; W1545-I1617 HydrophobicContact CZ2-CG2 4.05Å; W1545-I1617 HydrophobicContact CZ3-CB 4.17Å; W1545-I1617 HydrophobicContact CZ3-CD1 3.65Å; W1545-I1617 HydrophobicContact CZ3-CG2 3.71Å; I1575-I1617 HydrophobicContact CD1-CD1 3.51Å; I1575-I1617 HydrophobicContact CD1-CG1 4.43Å; I1577-I1617 HydrophobicContact CD1-CG2 4.24Å; I1613-I1617 HydrophobicContact CG2-CD1 3.56Å; I1613-I1617 HydrophobicContact CG2-CG1 4.28Å; I1613-I1617 VanDerWaalsContact O-CG1 3.31Å; I1613-I1617 WeakPolarHBondContact O-CG1 3.3Å; I1613-I1617 PolarHBondContact O-N 3.32Å; K1614-I1617 PolarHBondContact O-N 2.77Å; I1617-Q1619 PolarHBondContact O-N 2.99Å; I1617-L1620 PolarHBondContact O-N 3.48Å; I1617-L1621 HydrophobicContact CG2-CD1 3.68Å; I1617-L1621 HydrophobicContact CG2-CG 4.13Å; I1617-L1621 WeakPolarHBondContact O-CB 3.08Å; I1617-L1621 VanDerWaalsContact O-CG 3.31Å; I1617-L1621 WeakPolarHBondContact O-CG 3.32Å; I1617-L1621 PolarHBondContact O-N 2.86Å; I1617-I1639 HydrophobicContact CD1-CD1 4.48Å; I1617-I1639 HydrophobicContact CD1-CG2 4.4Å; I1617-I1639 HydrophobicContact CG1-CD1 3.85Å |
| 1618 | E | 93.3 | Very high | 91.4 | Very high | 62 Ų | 62 | 34.9 Ų | 34.9 | 29% | 0.29 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -64.4 | -36.6 | -179.4 | -75.2 | 177.6 | 143.7 | 0 | 0 | 113.1 | W1545 K1614 M1839 | W1545-E1618 HydrophobicContact CZ2-CG 3.83Å; K1614-E1618 IonicContact NZ-OE1 2.67Å; K1614-E1618 PolarHBondContact NZ-OE1 3.26Å; K1614-E1618 IonicContact NZ-OE2 3.49Å; K1614-E1618 PolarHBondContact NZ-OE2 3.02Å; K1614-E1618 WeakPolarHBondContact O-CB 3.48Å; K1614-E1618 WeakPolarHBondContact O-CG 3.37Å; K1614-E1618 PolarHBondContact O-N 3.13Å; E1618-M1839 WeakPolarHBondContact OE2-CE 3.46Å |
| 1619 | Q | 93.7 | Very high | 91.1 | Very high | 53 Ų | 53 | 36.3 Ų | 36.3 | 25% | 0.248 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68.8 | -44.7 | 171.4 | -173.1 | 74.9 | 24.4 | 0 | 0 | 111.5 | G1615 I1617 L1621 S1622 D1625 M1628 S1843 L1846 | G1615-Q1619 WeakPolarHBondContact O-CB 3.23Å; G1615-Q1619 PolarHBondContact O-N 3.04Å; I1617-Q1619 PolarHBondContact O-N 2.99Å; Q1619-L1621 PolarHBondContact O-N 2.86Å; Q1619-S1622 WeakPolarHBondContact O-CB 3.47Å; Q1619-S1622 PolarHBondContact O-N 3.46Å; Q1619-D1625 PolarHBondContact NE2-OD2 3.47Å; Q1619-M1628 HydrophobicContact CG-CE 4.43Å; Q1619-M1628 HydrophobicContact CG-CG 3.96Å; Q1619-M1628 HydrophobicContact CG-SD 3.74Å; Q1619-S1843 VanDerWaalsContact CD-OG 3.22Å; Q1619-S1843 WeakPolarHBondContact CG-OG 3.45Å; Q1619-S1843 PolarHBondContact OE1-OG 3.17Å; Q1619-L1846 HydrophobicContact CB-CD1 3.93Å; Q1619-L1846 HydrophobicContact CG-CD1 4.04Å |
| 1620 | L | 92.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.2 | -26 | -177.7 | -167.2 | 61.1 | 0 | 0 | 0 | 112.7 | I1577 L1616 I1617 S1622 L1631 R1632 F1637 L1846 | I1577-L1620 HydrophobicContact CB-CD2 3.99Å; I1577-L1620 HydrophobicContact CD1-CD2 4.02Å; I1577-L1620 HydrophobicContact CG2-CD2 4.03Å; I1577-L1620 HydrophobicContact CG2-CG 4.04Å; L1616-L1620 VanDerWaalsContact O-CB 3.3Å; L1616-L1620 WeakPolarHBondContact O-CB 3.27Å; L1616-L1620 PolarHBondContact O-N 2.78Å; I1617-L1620 PolarHBondContact O-N 3.48Å; L1620-S1622 VanDerWaalsContact C-N 3.33Å; L1620-L1631 HydrophobicContact CD1-CD2 4.3Å; L1620-R1632 HydrophobicContact CD1-CG 3.7Å; L1620-R1632 HydrophobicContact CG-CG 4.29Å; L1620-R1632 PolarHBondContact O-NH1 3.04Å; L1620-F1637 HydrophobicContact CD1-CD2 4.29Å; L1620-F1637 HydrophobicContact CD1-CE2 3.97Å; L1620-F1637 HydrophobicContact CD1-CZ 4.35Å; L1620-F1637 HydrophobicContact CD2-CB 4.05Å; L1620-F1637 HydrophobicContact CD2-CD1 3.99Å; L1620-F1637 HydrophobicContact CD2-CD2 3.64Å; L1620-F1637 HydrophobicContact CD2-CE1 4.37Å; L1620-F1637 HydrophobicContact CD2-CE2 4.06Å; L1620-F1637 HydrophobicContact CD2-CG 3.6Å; L1620-F1637 HydrophobicContact CD2-CZ 4.41Å; L1620-L1846 HydrophobicContact CB-CD1 3.91Å; L1620-L1846 HydrophobicContact CD1-CD1 4.34Å; L1620-L1846 HydrophobicContact CD1-CD2 4.4Å |
| 1621 | L | 91.6 | Very high | 90.4 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 21.8 | 171.3 | -57.1 | -179 | 0 | 0 | 0 | 113.5 | W1545 K1548 M1549 I1556 F1558 I1577 I1617 Q1619 | W1545-L1621 HydrophobicContact CB-CD1 3.83Å; W1545-L1621 HydrophobicContact CD2-CD1 4.43Å; W1545-L1621 HydrophobicContact CG-CD1 3.9Å; K1548-L1621 PolarHBondContact NZ-O 2.82Å; M1549-L1621 HydrophobicContact CG-CD2 4.4Å; M1549-L1621 HydrophobicContact SD-CB 4.36Å; M1549-L1621 HydrophobicContact SD-CD2 3.88Å; I1556-L1621 HydrophobicContact CG2-CD2 4.06Å; F1558-L1621 HydrophobicContact CB-CD2 4.5Å; F1558-L1621 HydrophobicContact CD2-CD1 3.9Å; F1558-L1621 HydrophobicContact CD2-CD2 3.68Å; F1558-L1621 HydrophobicContact CD2-CG 4.41Å; F1558-L1621 HydrophobicContact CE2-CD1 3.72Å; F1558-L1621 HydrophobicContact CE2-CD2 4.3Å; F1558-L1621 HydrophobicContact CG-CD2 4.39Å; F1558-L1621 HydrophobicContact CZ-CD1 4.42Å; I1577-L1621 HydrophobicContact CD1-CD2 3.99Å; I1577-L1621 HydrophobicContact CD1-CG 4.34Å; I1577-L1621 HydrophobicContact CG2-CD2 3.81Å; I1617-L1621 HydrophobicContact CG2-CD1 3.68Å; I1617-L1621 HydrophobicContact CG2-CG 4.13Å; I1617-L1621 WeakPolarHBondContact O-CB 3.08Å; I1617-L1621 VanDerWaalsContact O-CG 3.31Å; I1617-L1621 WeakPolarHBondContact O-CG 3.32Å; I1617-L1621 PolarHBondContact O-N 2.86Å; Q1619-L1621 PolarHBondContact O-N 2.86Å |
| 1622 | S | 86.1 | Confident | 90.1 | Very high | 23 Ų | 23 | 38.7 Ų | 38.7 | 16% | 0.161 | 18% | 0.183 | C | C | . | . | trans | -88.9 | 140.7 | 165.2 | -169.5 | 0 | 0 | 0 | 0 | 111 | Q1619 L1620 D1624 R1632 | Q1619-S1622 WeakPolarHBondContact O-CB 3.47Å; Q1619-S1622 PolarHBondContact O-N 3.46Å; L1620-S1622 VanDerWaalsContact C-N 3.33Å; S1622-D1624 PolarHBondContact OG-N 3.13Å; S1622-R1632 PolarHBondContact O-NH1 2.88Å | ||
| 1623 | N | 76.5 | Confident | 89.7 | Confident | 54 Ų | 54 | 41.8 Ų | 41.8 | 29% | 0.289 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -95.9 | -23.1 | 172.9 | -65.8 | -13.8 | 0 | 0 | 0 | 111.7 | I1556 D1625 N1629 | I1556-N1623 WeakPolarHBondContact CD1-OD1 3.11Å; N1623-D1625 VanDerWaalsContact C-N 3.33Å; N1623-D1625 PolarHBondContact O-N 2.94Å; N1623-N1629 PolarHBondContact O-ND2 3.24Å |
| 1624 | D | 73.1 | Confident | 89.3 | Confident | 157 Ų | 157 | 45.2 Ų | 45.2 | 84% | 0.84 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -80.7 | -15.3 | -169.1 | -50 | -52.4 | 0 | 0 | 0 | 112.7 | S1622 | S1622-D1624 PolarHBondContact OG-N 3.13Š|
| 1625 | D | 80.7 | Confident | 89.1 | Confident | 34 Ų | 34 | 44.7 Ų | 44.7 | 18% | 0.182 | 21% | 0.211 | C | C | . | . | trans | -98.9 | 104.2 | 177.7 | -175.6 | -2.2 | 0 | 0 | 0 | 111.2 | Q1619 N1623 K1627 M1628 N1629 | Q1619-D1625 PolarHBondContact NE2-OD2 3.47Å; N1623-D1625 VanDerWaalsContact C-N 3.33Å; N1623-D1625 PolarHBondContact O-N 2.94Å; D1625-K1627 PolarHBondContact O-N 3.09Å; D1625-K1627 VanDerWaalsContact O-N 3.1Å; D1625-K1627 VanDerWaalsContact OD1-CB 3.25Å; D1625-K1627 WeakPolarHBondContact OD1-CB 3.4Å; D1625-K1627 PolarHBondContact OD1-N 3.34Å; D1625-M1628 HydrophobicContact CB-CB 4.31Å; D1625-M1628 HydrophobicContact CB-CG 3.88Å; D1625-M1628 WeakPolarHBondContact O-CB 3.48Å; D1625-M1628 PolarHBondContact O-N 3.33Å; D1625-M1628 WeakPolarHBondContact OD2-CG 3.42Å; D1625-N1629 PolarHBondContact O-N 3.48Å; D1625-N1629 PolarHBondContact O-OD1 2.98Å | ||
| 1626 | R | 86.2 | Confident | 88.9 | Confident | 199 Ų | 199 | 44.7 Ų | 44.7 | 75% | 0.751 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -52.3 | -32.4 | 175.3 | -176.4 | 178.2 | 176 | -166.4 | -2.6 | 112.8 | M1628 N1629 E1630 | R1626-M1628 VanDerWaalsContact C-N 3.32Å; R1626-M1628 PolarHBondContact O-N 3.15Å; R1626-N1629 PolarHBondContact O-N 3.05Å; R1626-E1630 PolarHBondContact O-N 3.27Å; R1626-E1630 VanDerWaalsContact O-N 3.09Å |
| 1627 | K | 88.6 | Confident | 88.9 | Confident | 108 Ų | 108 | 44.7 Ų | 44.7 | 47% | 0.47 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -66.1 | -35.8 | 177.9 | -63.5 | -176.7 | 176.9 | -176.3 | 0 | 111.8 | D1625 L1631 N1847 L1850 | D1625-K1627 PolarHBondContact O-N 3.09Å; D1625-K1627 VanDerWaalsContact O-N 3.1Å; D1625-K1627 VanDerWaalsContact OD1-CB 3.25Å; D1625-K1627 WeakPolarHBondContact OD1-CB 3.4Å; D1625-K1627 PolarHBondContact OD1-N 3.34Å; K1627-L1631 VanDerWaalsContact O-CB 3.25Å; K1627-L1631 WeakPolarHBondContact O-CB 3.49Å; K1627-L1631 PolarHBondContact O-N 3Å; K1627-N1847 VanDerWaalsContact CD-OD1 3.28Å; K1627-N1847 WeakPolarHBondContact CD-OD1 3.47Å; K1627-L1850 HydrophobicContact CB-CD2 3.82Å; K1627-L1850 HydrophobicContact CD-CD2 4.31Å; K1627-L1850 HydrophobicContact CG-CD2 4.01Å |
| 1628 | M | 91.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -72.1 | -36 | 176.3 | -59.7 | -56.9 | 111.2 | 0 | 0 | 111.3 | Q1619 D1625 R1626 L1631 R1632 L1846 | Q1619-M1628 HydrophobicContact CG-CE 4.43Å; Q1619-M1628 HydrophobicContact CG-CG 3.96Å; Q1619-M1628 HydrophobicContact CG-SD 3.74Å; D1625-M1628 HydrophobicContact CB-CB 4.31Å; D1625-M1628 HydrophobicContact CB-CG 3.88Å; D1625-M1628 WeakPolarHBondContact O-CB 3.48Å; D1625-M1628 PolarHBondContact O-N 3.33Å; D1625-M1628 WeakPolarHBondContact OD2-CG 3.42Å; R1626-M1628 VanDerWaalsContact C-N 3.32Å; R1626-M1628 PolarHBondContact O-N 3.15Å; M1628-L1631 HydrophobicContact CE-CD2 4.46Å; M1628-L1631 PolarHBondContact O-N 3.45Å; M1628-L1631 HydrophobicContact SD-CD2 4.22Å; M1628-R1632 WeakPolarHBondContact O-CB 3.42Å; M1628-R1632 WeakPolarHBondContact O-CG 3.46Å; M1628-R1632 PolarHBondContact O-N 2.77Å; M1628-L1846 HydrophobicContact CE-CB 3.95Å; M1628-L1846 HydrophobicContact SD-CB 3.85Å; M1628-L1846 HydrophobicContact SD-CD1 3.59Å; M1628-L1846 VanDerWaalsContact SD-CD1 3.59Å; M1628-L1846 HydrophobicContact SD-CG 4.35Å |
| 1629 | N | 88.6 | Confident | 89.1 | Confident | 30 Ų | 30 | 41.9 Ų | 41.9 | 16% | 0.16 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.4 | -46.6 | 175 | -59 | -2.6 | 0 | 0 | 0 | 110.9 | N1623 D1625 R1626 R1632 K1633 | N1623-N1629 PolarHBondContact O-ND2 3.24Å; D1625-N1629 PolarHBondContact O-N 3.48Å; D1625-N1629 PolarHBondContact O-OD1 2.98Å; R1626-N1629 PolarHBondContact O-N 3.05Å; N1629-R1632 PolarHBondContact O-N 3.08Å; N1629-R1632 PolarHBondContact OD1-NH2 2.77Å; N1629-K1633 WeakPolarHBondContact O-CG 3.49Å; N1629-K1633 PolarHBondContact O-N 3.34Å |
| 1630 | E | 88.7 | Confident | 89.3 | Confident | 65 Ų | 65 | 39.4 Ų | 39.4 | 30% | 0.304 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -66 | -43.6 | 174 | -59.6 | -47.8 | 130.9 | 0 | 0 | 112.2 | R1626 R1632 K1633 M1634 | R1626-E1630 PolarHBondContact O-N 3.27Å; R1626-E1630 VanDerWaalsContact O-N 3.09Å; E1630-R1632 VanDerWaalsContact C-N 3.27Å; E1630-R1632 PolarHBondContact O-N 3.2Å; E1630-K1633 WeakPolarHBondContact O-CA 3.45Å; E1630-K1633 WeakPolarHBondContact O-CB 3.39Å; E1630-K1633 PolarHBondContact O-N 3.49Å; E1630-K1633 IonicContact OE1-NZ 2.77Å; E1630-K1633 PolarHBondContact OE1-NZ 3.21Å; E1630-K1633 WeakPolarHBondContact OE2-CD 3.45Å; E1630-K1633 IonicContact OE2-NZ 3.15Å; E1630-K1633 PolarHBondContact OE2-NZ 3.02Å; E1630-M1634 WeakPolarHBondContact O-CG 3.26Å; E1630-M1634 PolarHBondContact O-N 3Å |
| 1631 | L | 91.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.2 | -36.5 | 178 | -170.4 | 70.9 | 0 | 0 | 0 | 112.7 | L1620 K1627 M1628 M1634 F1635 F1637 L1846 F1849 L1850 | L1620-L1631 HydrophobicContact CD1-CD2 4.3Å; K1627-L1631 VanDerWaalsContact O-CB 3.25Å; K1627-L1631 WeakPolarHBondContact O-CB 3.49Å; K1627-L1631 PolarHBondContact O-N 3Å; M1628-L1631 HydrophobicContact CE-CD2 4.46Å; M1628-L1631 PolarHBondContact O-N 3.45Å; M1628-L1631 HydrophobicContact SD-CD2 4.22Å; L1631-M1634 PolarHBondContact O-N 2.9Å; L1631-F1635 HydrophobicContact CD1-CD2 3.67Å; L1631-F1635 HydrophobicContact CD1-CE2 3.85Å; L1631-F1635 HydrophobicContact CG-CD2 4.39Å; L1631-F1635 PolarHBondContact O-N 3.18Å; L1631-F1637 HydrophobicContact CD1-CZ 4.36Å; L1631-F1637 HydrophobicContact CD2-CE2 4.37Å; L1631-F1637 HydrophobicContact CD2-CZ 3.81Å; L1631-F1637 HydrophobicContact CG-CE2 4.06Å; L1631-F1637 HydrophobicContact CG-CZ 3.8Å; L1631-L1846 HydrophobicContact CD2-CB 3.73Å; L1631-L1846 HydrophobicContact CD2-CD2 3.84Å; L1631-L1846 HydrophobicContact CD2-CG 4.29Å; L1631-F1849 HydrophobicContact CD1-CB 3.95Å; L1631-L1850 HydrophobicContact CD1-CB 4.18Å |
| 1632 | R | 90.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -73.4 | -24.7 | 173.5 | -72.9 | -166.9 | -49.3 | -94 | -4.8 | 114 | I1556 T1578 Q1579 R1593 L1620 S1622 M1628 N1629 E1630 | I1556-R1632 VanDerWaalsContact CD1-CZ 3.41Å; T1578-R1632 PolarHBondContact OG1-O 2.77Å; Q1579-R1632 HydrophobicContact CB-CB 4.01Å; Q1579-R1632 PolarHBondContact N-O 3.23Å; Q1579-R1632 VanDerWaalsContact OE1-NE 3.15Å; R1593-R1632 PolarHBondContact NH1-O 3.23Å; L1620-R1632 HydrophobicContact CD1-CG 3.7Å; L1620-R1632 HydrophobicContact CG-CG 4.29Å; L1620-R1632 PolarHBondContact O-NH1 3.04Å; S1622-R1632 PolarHBondContact O-NH1 2.88Å; M1628-R1632 WeakPolarHBondContact O-CB 3.42Å; M1628-R1632 WeakPolarHBondContact O-CG 3.46Å; M1628-R1632 PolarHBondContact O-N 2.77Å; N1629-R1632 PolarHBondContact O-N 3.08Å; N1629-R1632 PolarHBondContact OD1-NH2 2.77Å; E1630-R1632 VanDerWaalsContact C-N 3.27Å; E1630-R1632 PolarHBondContact O-N 3.2Å |
| 1633 | K | 88.1 | Confident | 90.4 | Very high | 67 Ų | 67 | 38.4 Ų | 38.4 | 29% | 0.291 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -74.5 | -34.5 | 169.5 | -68.2 | 168.8 | -173.3 | 172.3 | 0 | 111.6 | Q1579 R1593 N1629 E1630 | Q1579-K1633 HydrophobicContact CB-CG 4.01Å; Q1579-K1633 HydrophobicContact CG-CG 4.02Å; R1593-K1633 WeakPolarHBondContact CD-O 3.41Å; R1593-K1633 PolarHBondContact NE-O 3.18Å; R1593-K1633 VanDerWaalsContact NE-O 3.08Å; N1629-K1633 WeakPolarHBondContact O-CG 3.49Å; N1629-K1633 PolarHBondContact O-N 3.34Å; E1630-K1633 WeakPolarHBondContact O-CA 3.45Å; E1630-K1633 WeakPolarHBondContact O-CB 3.39Å; E1630-K1633 PolarHBondContact O-N 3.49Å; E1630-K1633 IonicContact OE1-NZ 2.77Å; E1630-K1633 PolarHBondContact OE1-NZ 3.21Å; E1630-K1633 WeakPolarHBondContact OE2-CD 3.45Å; E1630-K1633 IonicContact OE2-NZ 3.15Å; E1630-K1633 PolarHBondContact OE2-NZ 3.02Å |
| 1634 | M | 88.8 | Confident | 91.4 | Very high | 75 Ų | 75 | 36 Ų | 36 | 37% | 0.369 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -79.3 | -36.8 | -177.1 | -65.4 | 179.1 | 83.5 | 0 | 0 | 113.3 | P1594 E1630 L1631 L1850 S1853 | P1594-M1634 WeakPolarHBondContact CD-O 3.5Å; E1630-M1634 WeakPolarHBondContact O-CG 3.26Å; E1630-M1634 PolarHBondContact O-N 3Å; L1631-M1634 PolarHBondContact O-N 2.9Å; M1634-L1850 HydrophobicContact SD-CD1 3.9Å; M1634-S1853 WeakPolarHBondContact CE-OG 3.5Å |
| 1635 | F | 92.1 | Very high | 92.6 | Very high | 4 Ų | 4 | 28.6 Ų | 28.6 | 2% | 0.018 | 13% | 0.126 | C | C | . | . | trans | -126.4 | 157.5 | -172.1 | -62.1 | -78.7 | 0 | 0 | 0 | 113.9 | T1578 P1594 I1596 L1631 F1637 Y1695 | T1578-F1635 PolarHBondContact OG1-O 3.42Å; P1594-F1635 HydrophobicContact CB-CD1 4.07Å; P1594-F1635 HydrophobicContact CB-CE1 4.19Å; P1594-F1635 HydrophobicContact CG-CD1 3.64Å; P1594-F1635 HydrophobicContact CG-CE1 3.67Å; P1594-F1635 WeakPolarHBondContact O-CA 3.26Å; I1596-F1635 HydrophobicContact CD1-CB 3.99Å; I1596-F1635 HydrophobicContact CD1-CD1 3.55Å; I1596-F1635 HydrophobicContact CD1-CD2 3.88Å; I1596-F1635 HydrophobicContact CD1-CE1 3.95Å; I1596-F1635 HydrophobicContact CD1-CE2 4.24Å; I1596-F1635 HydrophobicContact CD1-CG 3.52Å; I1596-F1635 HydrophobicContact CD1-CZ 4.27Å; I1596-F1635 HydrophobicContact CG1-CB 4.25Å; I1596-F1635 HydrophobicContact CG1-CD1 3.65Å; I1596-F1635 HydrophobicContact CG1-CE1 4.19Å; I1596-F1635 HydrophobicContact CG1-CG 4Å; L1631-F1635 HydrophobicContact CD1-CD2 3.67Å; L1631-F1635 HydrophobicContact CD1-CE2 3.85Å; L1631-F1635 HydrophobicContact CG-CD2 4.39Å; L1631-F1635 PolarHBondContact O-N 3.18Å; F1635-F1637 HydrophobicContact CB-CD2 4.29Å; F1635-F1637 HydrophobicContact CB-CE2 3.79Å; F1635-F1637 HydrophobicContact CB-CZ 4.23Å; F1635-Y1695 AromaticContact CE1-CD1 3.52Å; F1635-Y1695 HydrophobicContact CE1-CD1 3.52Å; F1635-Y1695 AromaticContact CE1-CE1 3.98Å; F1635-Y1695 HydrophobicContact CE1-CE1 3.98Å; F1635-Y1695 HydrophobicContact CE1-CG 4.07Å; F1635-Y1695 HydrophobicContact CZ-CD1 4.03Å; F1635-Y1695 HydrophobicContact CZ-CE1 4.01Å | ||
| 1636 | I | 92.3 | Very high | 93.4 | Very high | 6 Ų | 6 | 27.1 Ų | 27.1 | 3% | 0.031 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 116.9 | 161.9 | -53.8 | 171.8 | 0 | 0 | 0 | 108.2 | T1576 T1578 I1590 R1593 P1594 Y1595 I1596 | T1576-I1636 HydrophobicContact CG2-CG2 3.97Å; T1578-I1636 HydrophobicContact CG2-CG1 4.36Å; I1590-I1636 HydrophobicContact CG2-CD1 4.04Å; R1593-I1636 HydrophobicContact CB-CD1 4.17Å; R1593-I1636 HydrophobicContact CB-CG1 3.93Å; P1594-I1636 PolarHBondContact O-N 3.42Å; Y1595-I1636 WeakPolarHBondContact CA-O 3.29Å; Y1595-I1636 HydrophobicContact CD1-CB 3.73Å; Y1595-I1636 HydrophobicContact CD1-CG2 3.86Å; Y1595-I1636 HydrophobicContact CE1-CB 3.78Å; Y1595-I1636 HydrophobicContact CE1-CD1 3.87Å; Y1595-I1636 HydrophobicContact CE1-CG1 4.44Å; Y1595-I1636 HydrophobicContact CE1-CG2 3.63Å; I1596-I1636 PolarHBondContact N-O 3.47Å |
| 1637 | F | 95.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 128.4 | 176.3 | -68.1 | -96 | 0 | 0 | 0 | 110 | T1576 I1577 I1596 L1598 L1620 L1631 F1635 I1639 L1846 F1849 | T1576-F1637 WeakPolarHBondContact CA-O 3.5Å; I1577-F1637 HydrophobicContact CB-CB 4.28Å; I1577-F1637 PolarHBondContact N-O 3.34Å; I1577-F1637 PolarHBondContact O-N 3.5Å; I1596-F1637 HydrophobicContact CB-CD1 3.99Å; I1596-F1637 HydrophobicContact CB-CE1 4.04Å; I1596-F1637 HydrophobicContact CD1-CE1 3.79Å; I1596-F1637 HydrophobicContact CD1-CZ 3.87Å; I1596-F1637 HydrophobicContact CG1-CE1 4.48Å; I1596-F1637 HydrophobicContact CG2-CD1 3.95Å; I1596-F1637 HydrophobicContact CG2-CE1 3.92Å; I1596-F1637 WeakPolarHBondContact O-CA 3.29Å; L1598-F1637 HydrophobicContact CD1-CD1 4.49Å; L1620-F1637 HydrophobicContact CD1-CD2 4.29Å; L1620-F1637 HydrophobicContact CD1-CE2 3.97Å; L1620-F1637 HydrophobicContact CD1-CZ 4.35Å; L1620-F1637 HydrophobicContact CD2-CB 4.05Å; L1620-F1637 HydrophobicContact CD2-CD1 3.99Å; L1620-F1637 HydrophobicContact CD2-CD2 3.64Å; L1620-F1637 HydrophobicContact CD2-CE1 4.37Å; L1620-F1637 HydrophobicContact CD2-CE2 4.06Å; L1620-F1637 HydrophobicContact CD2-CG 3.6Å; L1620-F1637 HydrophobicContact CD2-CZ 4.41Å; L1631-F1637 HydrophobicContact CD1-CZ 4.36Å; L1631-F1637 HydrophobicContact CD2-CE2 4.37Å; L1631-F1637 HydrophobicContact CD2-CZ 3.81Å; L1631-F1637 HydrophobicContact CG-CE2 4.06Å; L1631-F1637 HydrophobicContact CG-CZ 3.8Å; F1635-F1637 HydrophobicContact CB-CD2 4.29Å; F1635-F1637 HydrophobicContact CB-CE2 3.79Å; F1635-F1637 HydrophobicContact CB-CZ 4.23Å; F1637-I1639 HydrophobicContact CB-CD1 4.45Å; F1637-I1639 HydrophobicContact CB-CG1 4.35Å; F1637-L1846 HydrophobicContact CE1-CD2 3.92Å; F1637-L1846 HydrophobicContact CZ-CD2 4.14Å; F1637-F1849 AromaticContact CE1-CD2 3.93Å; F1637-F1849 HydrophobicContact CE1-CD2 3.93Å; F1637-F1849 HydrophobicContact CE1-CE2 4.09Å; F1637-F1849 HydrophobicContact CZ-CD2 4.33Å |
| 1638 | K | 95.4 | Very high | 94.3 | Very high | 4 Ų | 4 | 12.6 Ų | 12.6 | 2% | 0.017 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 108.5 | 170.5 | -77.5 | -70.6 | -169.6 | 177.1 | 0 | 108.5 | E1045 L1574 I1575 T1576 Y1595 I1596 I1597 L1598 | E1045-K1638 IonicContact OE1-NZ 3.74Å; E1045-K1638 PolarHBondContact OE1-NZ 3.29Å; E1045-K1638 WeakPolarHBondContact OE2-CE 3.33Å; E1045-K1638 IonicContact OE2-NZ 3.94Å; E1045-K1638 PolarHBondContact OE2-NZ 2.9Å; L1574-K1638 HydrophobicContact CD1-CB 4.25Å; L1574-K1638 HydrophobicContact CD1-CD 4.08Å; L1574-K1638 HydrophobicContact CD2-CD 4.16Å; L1574-K1638 HydrophobicContact CG-CD 4.18Å; I1575-K1638 CarbonylContact O-C 3.57Å; I1575-K1638 WeakPolarHBondContact O-CA 3.45Å; T1576-K1638 HydrophobicContact CG2-CD 4.29Å; T1576-K1638 WeakPolarHBondContact OG1-CE 3.42Å; T1576-K1638 PolarHBondContact OG1-NZ 3.18Å; Y1595-K1638 HydrophobicContact CD1-CG 4.07Å; Y1595-K1638 HydrophobicContact CE1-CG 4.33Å; I1596-K1638 PolarHBondContact O-N 3.42Å; I1597-K1638 WeakPolarHBondContact CA-O 3.49Å; I1597-K1638 HydrophobicContact CD1-CB 4.45Å; I1597-K1638 HydrophobicContact CG1-CB 4.14Å; L1598-K1638 PolarHBondContact N-O 2.98Å |
| 1639 | I | 98 | Very high | 94.6 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 125.6 | -170.6 | -50.6 | 179.3 | 0 | 0 | 0 | 109.7 | I1575 I1577 L1598 I1613 L1616 I1617 F1637 P1641 | I1575-I1639 HydrophobicContact CB-CB 4.25Å; I1575-I1639 HydrophobicContact CD1-CB 4.4Å; I1575-I1639 PolarHBondContact N-O 3.47Å; I1575-I1639 PolarHBondContact O-N 3.1Å; I1577-I1639 HydrophobicContact CD1-CD1 4.27Å; L1598-I1639 HydrophobicContact CB-CG1 4.34Å; L1598-I1639 HydrophobicContact CB-CG2 4.29Å; L1598-I1639 HydrophobicContact CD1-CD1 4.27Å; L1598-I1639 HydrophobicContact CD1-CG1 4.2Å; L1598-I1639 WeakPolarHBondContact O-CA 3.33Å; I1613-I1639 HydrophobicContact CD1-CG2 4.37Å; I1613-I1639 HydrophobicContact CG2-CG2 4.05Å; L1616-I1639 HydrophobicContact CD2-CD1 3.86Å; I1617-I1639 HydrophobicContact CD1-CD1 4.48Å; I1617-I1639 HydrophobicContact CD1-CG2 4.4Å; I1617-I1639 HydrophobicContact CG1-CD1 3.85Å; F1637-I1639 HydrophobicContact CB-CD1 4.45Å; F1637-I1639 HydrophobicContact CB-CG1 4.35Å; I1639-P1641 VanDerWaalsContact O-CD 3.32Å; I1639-P1641 WeakPolarHBondContact O-CD 3.28Å |
| 1640 | I | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 89.6 | 171.6 | -58.6 | 163.1 | 0 | 0 | 0 | 106.6 | L1563 V1572 L1574 L1598 T1599 C1600 M1642 L1643 T1680 | L1563-I1640 HydrophobicContact CD2-CD1 3.61Å; L1563-I1640 HydrophobicContact CD2-CG1 4.15Å; L1563-I1640 HydrophobicContact CD2-CG2 4.46Å; V1572-I1640 HydrophobicContact CG1-CG2 4.12Å; L1574-I1640 HydrophobicContact CD1-CD1 4.2Å; L1574-I1640 HydrophobicContact CD1-CG1 3.56Å; L1598-I1640 PolarHBondContact O-N 3.21Å; T1599-I1640 HydrophobicContact CG2-CB 4.23Å; T1599-I1640 HydrophobicContact CG2-CD1 4.03Å; C1600-I1640 PolarHBondContact N-O 3.49Å; C1600-I1640 VanDerWaalsContact N-O 3.13Å; I1640-M1642 PolarHBondContact O-N 3.42Å; I1640-L1643 HydrophobicContact CG2-CD2 3.76Å; I1640-L1643 HydrophobicContact CG2-CG 3.99Å; I1640-T1680 HydrophobicContact CD1-CG2 3.62Å |
| 1641 | P | 97.6 | Very high | 95.2 | Very high | 3 Ų | 3 | 8.3 Ų | 8.3 | 2% | 0.019 | 4% | 0.04 | C | C | . | . | S | Bend | trans | -71 | -14.4 | -168.3 | 29.6 | -38.5 | 0 | 0 | 0 | 114 | L1538 P1573 I1575 C1600 I1613 I1639 | L1538-P1641 HydrophobicContact CD1-CB 3.79Å; L1538-P1641 HydrophobicContact CD1-CG 3.75Å; L1538-P1641 HydrophobicContact CD2-CB 4.28Å; L1538-P1641 HydrophobicContact CD2-CG 3.93Å; L1538-P1641 HydrophobicContact CG-CG 4.4Å; P1573-P1641 HydrophobicContact CB-CG 4.4Å; P1573-P1641 HydrophobicContact CG-CG 3.86Å; I1575-P1641 HydrophobicContact CD1-CG 4.08Å; I1575-P1641 HydrophobicContact CG1-CG 4.44Å; C1600-P1641 WeakPolarHBondContact CB-O 3.42Å; I1613-P1641 HydrophobicContact CG2-CB 3.91Å; I1639-P1641 VanDerWaalsContact O-CD 3.32Å; I1639-P1641 WeakPolarHBondContact O-CD 3.28Å |
| 1642 | M | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 4% | 0.041 | C | C | . | . | trans | -152.6 | 106.5 | 175.1 | -168.1 | 174.9 | -69.9 | 0 | 0 | 112 | Y1533 Y1535 L1538 C1600 R1601 I1640 P1645 V1648 | Y1533-M1642 HydrophobicContact CD1-CE 4.33Å; Y1535-M1642 HydrophobicContact CD2-SD 3.57Å; Y1535-M1642 VanDerWaalsContact CD2-SD 3.57Å; Y1535-M1642 HydrophobicContact CG-SD 4.14Å; L1538-M1642 HydrophobicContact CB-CE 4.45Å; L1538-M1642 HydrophobicContact CD2-CB 3.6Å; L1538-M1642 HydrophobicContact CD2-CE 4.12Å; L1538-M1642 HydrophobicContact CD2-SD 4.35Å; C1600-M1642 CarbonylContact O-C 3.31Å; C1600-M1642 WeakPolarHBondContact O-CA 3.44Å; R1601-M1642 HydrophobicContact CB-CB 4.4Å; R1601-M1642 HydrophobicContact CB-CG 3.88Å; R1601-M1642 HydrophobicContact CG-CE 4.48Å; R1601-M1642 HydrophobicContact CG-CG 4.33Å; I1640-M1642 PolarHBondContact O-N 3.42Å; M1642-P1645 HydrophobicContact CB-CG 4.47Å; M1642-P1645 HydrophobicContact CG-CG 4.08Å; M1642-P1645 HydrophobicContact SD-CB 4.22Å; M1642-P1645 HydrophobicContact SD-CG 4.27Å; M1642-V1648 HydrophobicContact CE-CG1 4.05Å; M1642-V1648 HydrophobicContact CE-CG2 4.17Å; M1642-V1648 HydrophobicContact CG-CG2 4.19Å; M1642-V1648 HydrophobicContact SD-CB 3.97Å; M1642-V1648 HydrophobicContact SD-CG1 4.07Å; M1642-V1648 HydrophobicContact SD-CG2 3.71Å | ||
| 1643 | L | 98 | Very high | 95.8 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 4% | 0.043 | C | C | . | . | S | Bend | trans | -80.6 | -16.4 | 179 | -88.1 | 177.7 | 0 | 0 | 0 | 114.5 | T1599 C1600 V1602 I1640 W1666 T1676 I1677 T1680 | T1599-L1643 HydrophobicContact CG2-CD1 4.05Å; C1600-L1643 PolarHBondContact O-N 3.04Å; V1602-L1643 HydrophobicContact CB-CB 4.03Å; V1602-L1643 HydrophobicContact CB-CD1 3.91Å; V1602-L1643 HydrophobicContact CG2-CB 4.46Å; V1602-L1643 HydrophobicContact CG2-CD1 4.25Å; I1640-L1643 HydrophobicContact CG2-CD2 3.76Å; I1640-L1643 HydrophobicContact CG2-CG 3.99Å; L1643-W1666 HydrophobicContact CD1-CH2 4.43Å; L1643-W1666 HydrophobicContact CD1-CZ2 4.03Å; L1643-T1676 WeakPolarHBondContact O-CB 3.34Å; L1643-T1676 VanDerWaalsContact O-CG2 3.32Å; L1643-T1676 WeakPolarHBondContact O-CG2 3.5Å; L1643-T1676 PolarHBondContact O-OG1 2.88Å; L1643-I1677 HydrophobicContact CD1-CD1 4.09Å; L1643-I1677 HydrophobicContact CD2-CD1 4.35Å; L1643-T1680 WeakPolarHBondContact CD2-OG1 3.28Å |
| 1644 | N | 98 | Very high | 96.1 | Very high | 5 Ų | 5 | 7.5 Ų | 7.5 | 3% | 0.027 | 4% | 0.036 | C | C | . | . | trans | -133.6 | 60.1 | -179 | -163.9 | -6.3 | 0 | 0 | 0 | 113.7 | R1601 V1602 D1646 G1647 V1648 C1655 S1656 L1662 | R1601-N1644 WeakPolarHBondContact O-CB 3.24Å; R1601-N1644 PolarHBondContact O-N 3.41Å; R1601-N1644 VanDerWaalsContact O-N 3.11Å; V1602-N1644 WeakPolarHBondContact O-CB 3.25Å; V1602-N1644 PolarHBondContact O-ND2 3.23Å; V1602-N1644 VanDerWaalsContact O-ND2 3.14Å; N1644-D1646 PolarHBondContact O-N 2.99Å; N1644-G1647 PolarHBondContact O-N 3.23Å; N1644-G1647 PolarHBondContact OD1-N 3.41Å; N1644-V1648 WeakPolarHBondContact O-CG2 3.42Å; N1644-V1648 PolarHBondContact O-N 2.85Å; N1644-C1655 PolarHBondContact ND2-O 2.88Å; N1644-S1656 WeakPolarHBondContact ND2-CA 3.32Å; N1644-S1656 PolarHBondContact ND2-N 2.82Å; N1644-S1656 WeakPolarHBondContact OD1-CA 3.26Å; N1644-L1662 HydrophobicContact CB-CD1 4.06Å | ||
| 1645 | P | 97.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 3.9 Ų | 3.9 | 0% | 0 | 2% | 0.018 | C | C | . | . | H | α-helix | trans | -52.9 | -45.3 | 179.2 | -27.8 | 34.9 | 0 | 0 | 0 | 114.4 | Y1535 T1566 V1572 M1642 G1647 V1648 I1649 | Y1535-P1645 HydrophobicContact CD1-CB 4.25Å; Y1535-P1645 HydrophobicContact CD2-CB 3.74Å; Y1535-P1645 HydrophobicContact CD2-CG 4.08Å; Y1535-P1645 HydrophobicContact CE1-CB 4.38Å; Y1535-P1645 HydrophobicContact CE2-CB 3.9Å; Y1535-P1645 HydrophobicContact CE2-CG 3.92Å; Y1535-P1645 HydrophobicContact CG-CB 3.94Å; T1566-P1645 HydrophobicContact CG2-CB 4.11Å; T1566-P1645 HydrophobicContact CG2-CG 3.92Å; V1572-P1645 HydrophobicContact CG2-CG 4.48Å; M1642-P1645 HydrophobicContact CB-CG 4.47Å; M1642-P1645 HydrophobicContact CG-CG 4.08Å; M1642-P1645 HydrophobicContact SD-CB 4.22Å; M1642-P1645 HydrophobicContact SD-CG 4.27Å; P1645-G1647 VanDerWaalsContact C-N 3.3Å; P1645-G1647 PolarHBondContact O-N 2.63Å; P1645-V1648 WeakPolarHBondContact O-CB 3.3Å; P1645-V1648 PolarHBondContact O-N 3.05Å; P1645-V1648 VanDerWaalsContact O-N 3.07Å; P1645-I1649 VanDerWaalsContact O-CG1 3.28Å; P1645-I1649 WeakPolarHBondContact O-CG1 3.28Å; P1645-I1649 PolarHBondContact O-N 2.9Å |
| 1646 | D | 97.3 | Very high | 96.5 | Very high | 4 Ų | 4 | 4 Ų | 4 | 2% | 0.021 | 2% | 0.019 | C | C | . | . | H | α-helix | trans | -57.9 | -43 | -179 | -64.8 | -8.4 | 0 | 0 | 0 | 112.4 | T1566 I1567 L1568 N1570 N1644 V1648 I1649 V1650 M1657 | T1566-D1646 VanDerWaalsContact CB-CG 3.44Å; T1566-D1646 VanDerWaalsContact CB-OD1 3.22Å; T1566-D1646 WeakPolarHBondContact CB-OD1 3.39Å; T1566-D1646 VanDerWaalsContact CB-OD2 3.27Å; T1566-D1646 WeakPolarHBondContact CB-OD2 3.42Å; T1566-D1646 PolarHBondContact OG1-OD1 3.46Å; T1566-D1646 PolarHBondContact OG1-OD2 3.3Å; I1567-D1646 PolarHBondContact N-OD2 2.96Å; I1567-D1646 VanDerWaalsContact N-OD2 3.13Å; L1568-D1646 HydrophobicContact CD1-CB 4.07Å; L1568-D1646 HydrophobicContact CG-CB 4.28Å; L1568-D1646 PolarHBondContact N-OD2 3.5Å; N1570-D1646 PolarHBondContact ND2-OD1 3.13Å; N1644-D1646 PolarHBondContact O-N 2.99Å; D1646-V1648 VanDerWaalsContact C-N 3.31Å; D1646-V1648 PolarHBondContact O-N 2.99Å; D1646-I1649 PolarHBondContact O-N 3.11Å; D1646-V1650 WeakPolarHBondContact O-CG2 3.31Å; D1646-V1650 PolarHBondContact O-N 3.36Å; D1646-M1657 HydrophobicContact CB-CG 3.36Å; D1646-M1657 HydrophobicContact CB-SD 4.17Å |
| 1647 | G | 96.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 4.2 Ų | 4.2 | 0% | 0 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -64.7 | -36.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | P1604 N1644 P1645 G1651 N1652 | P1604-G1647 WeakPolarHBondContact CB-O 3.47Å; N1644-G1647 PolarHBondContact O-N 3.23Å; N1644-G1647 PolarHBondContact OD1-N 3.41Å; P1645-G1647 VanDerWaalsContact C-N 3.3Å; P1645-G1647 PolarHBondContact O-N 2.63Å; G1647-G1651 PolarHBondContact O-N 2.81Å; G1647-N1652 WeakPolarHBondContact O-CB 3.47Å; G1647-N1652 PolarHBondContact O-N 3.49Å |
| 1648 | V | 97.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 5.9 Ų | 5.9 | 1% | 0.006 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -66.7 | -51.3 | 177.3 | 173.2 | 0 | 0 | 0 | 0 | 109.3 | C1401 P1604 M1642 N1644 P1645 D1646 V1650 G1651 | C1401-V1648 WeakPolarHBondContact CA-O 3.3Å; C1401-V1648 VanDerWaalsContact SG-CG1 3.5Å; C1401-V1648 PolarHBondContact SG-O 2.82Å; P1604-V1648 HydrophobicContact CB-CB 4.46Å; P1604-V1648 HydrophobicContact CB-CG2 3.79Å; P1604-V1648 VanDerWaalsContact CB-N 3.32Å; M1642-V1648 HydrophobicContact CE-CG1 4.05Å; M1642-V1648 HydrophobicContact CE-CG2 4.17Å; M1642-V1648 HydrophobicContact CG-CG2 4.19Å; M1642-V1648 HydrophobicContact SD-CB 3.97Å; M1642-V1648 HydrophobicContact SD-CG1 4.07Å; M1642-V1648 HydrophobicContact SD-CG2 3.71Å; N1644-V1648 WeakPolarHBondContact O-CG2 3.42Å; N1644-V1648 PolarHBondContact O-N 2.85Å; P1645-V1648 WeakPolarHBondContact O-CB 3.3Å; P1645-V1648 PolarHBondContact O-N 3.05Å; P1645-V1648 VanDerWaalsContact O-N 3.07Å; D1646-V1648 VanDerWaalsContact C-N 3.31Å; D1646-V1648 PolarHBondContact O-N 2.99Å; V1648-V1650 VanDerWaalsContact C-N 3.28Å; V1648-V1650 PolarHBondContact O-N 3.35Å; V1648-G1651 PolarHBondContact O-N 3.06Å; V1648-G1651 VanDerWaalsContact O-N 3.12Å |
| 1649 | I | 97.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 6.3 Ų | 6.3 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -50.5 | -47.4 | 178.8 | -70.4 | 164.8 | 0 | 0 | 0 | 111.1 | I1112 F1118 E1400 C1401 Y1535 N1570 P1645 D1646 | I1112-I1649 HydrophobicContact CB-CD1 4.37Å; I1112-I1649 HydrophobicContact CD1-CG1 4.39Å; I1112-I1649 HydrophobicContact CD1-CG2 4.48Å; F1118-I1649 HydrophobicContact CE2-CG2 3.9Å; F1118-I1649 HydrophobicContact CZ-CG2 3.62Å; F1118-I1649 WeakPolarHBondContact CZ-O 3.44Å; E1400-I1649 HydrophobicContact CG-CB 4.45Å; E1400-I1649 HydrophobicContact CG-CG1 4.42Å; C1401-I1649 PolarHBondContact N-O 3.32Å; Y1535-I1649 HydrophobicContact CD1-CD1 3.8Å; Y1535-I1649 HydrophobicContact CD1-CG1 4.26Å; Y1535-I1649 HydrophobicContact CG-CD1 4.37Å; Y1535-I1649 HydrophobicContact CG-CG1 4.47Å; N1570-I1649 WeakPolarHBondContact ND2-CD1 3.41Å; P1645-I1649 VanDerWaalsContact O-CG1 3.28Å; P1645-I1649 WeakPolarHBondContact O-CG1 3.28Å; P1645-I1649 PolarHBondContact O-N 2.9Å; D1646-I1649 PolarHBondContact O-N 3.11Å |
| 1650 | V | 95 | Very high | 96.1 | Very high | 5 Ų | 5 | 8.9 Ų | 8.9 | 3% | 0.03 | 5% | 0.049 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 4.8 | -175.7 | -52.9 | 0 | 0 | 0 | 0 | 115.6 | L1115 L1116 I1423 D1646 V1648 N1652 M1657 | L1115-V1650 HydrophobicContact CB-CG1 4.48Å; L1116-V1650 HydrophobicContact CD1-CB 4.42Å; I1423-V1650 HydrophobicContact CD1-CB 3.73Å; I1423-V1650 HydrophobicContact CD1-CG1 4.11Å; I1423-V1650 HydrophobicContact CD1-CG2 3.68Å; I1423-V1650 HydrophobicContact CG1-CG2 4.16Å; D1646-V1650 WeakPolarHBondContact O-CG2 3.31Å; D1646-V1650 PolarHBondContact O-N 3.36Å; V1648-V1650 VanDerWaalsContact C-N 3.28Å; V1648-V1650 PolarHBondContact O-N 3.35Å; V1650-N1652 HydrophobicContact CG2-CB 4.47Å; V1650-M1657 HydrophobicContact CG1-CE 4.48Å; V1650-M1657 HydrophobicContact CG1-SD 4.29Å; V1650-M1657 HydrophobicContact CG2-SD 3.91Å |
| 1651 | G | 96.1 | Very high | 95.9 | Very high | 1 Ų | 1 | 9.2 Ų | 9.2 | 1% | 0.01 | 5% | 0.05 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 27.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | N1403 G1647 V1648 | N1403-G1651 PolarHBondContact ND2-O 3.44Å; G1647-G1651 PolarHBondContact O-N 2.81Å; V1648-G1651 PolarHBondContact O-N 3.06Å; V1648-G1651 VanDerWaalsContact O-N 3.12Å |
| 1652 | N | 97.1 | Very high | 95.9 | Very high | 3 Ų | 3 | 9.2 Ų | 9.2 | 2% | 0.016 | 5% | 0.05 | C | C | . | . | trans | -68.6 | 159.5 | 169.1 | -78.6 | 0.2 | 0 | 0 | 0 | 111 | D1422 I1423 P1604 G1605 G1647 V1650 C1655 | D1422-N1652 WeakPolarHBondContact CA-OD1 3.43Å; D1422-N1652 HydrophobicContact CB-CB 4.33Å; D1422-N1652 WeakPolarHBondContact OD1-CA 3.33Å; I1423-N1652 PolarHBondContact N-OD1 3.28Å; P1604-N1652 CarbonylContact C-O 3.59Å; P1604-N1652 HydrophobicContact CB-CB 4.25Å; P1604-N1652 HydrophobicContact CG-CB 3.45Å; P1604-N1652 VanDerWaalsContact CG-CB 3.45Å; P1604-N1652 WeakPolarHBondContact CG-O 3.28Å; G1605-N1652 PolarHBondContact N-O 3.23Å; G1647-N1652 WeakPolarHBondContact O-CB 3.47Å; G1647-N1652 PolarHBondContact O-N 3.49Å; V1650-N1652 HydrophobicContact CG2-CB 4.47Å; N1652-C1655 PolarHBondContact ND2-O 3.42Å | ||
| 1653 | H | 96.1 | Very high | 95.8 | Very high | 11 Ų | 11 | 9.4 Ų | 9.4 | 5% | 0.051 | 5% | 0.051 | C | C | . | . | S | Bend | trans | -97.9 | -41.9 | 171.2 | -177.2 | 66.4 | 0 | 0 | 0 | 114.1 | D1422 Q1430 W1431 P1604 G1605 Y1792 | D1422-H1653 PolarHBondContact OD1-N 2.88Å; Q1430-H1653 VanDerWaalsContact CD-CE1 3.44Å; Q1430-H1653 PolarHBondContact NE2-CE1 2.89Å; Q1430-H1653 VanDerWaalsContact NE2-CE1 3.32Å; Q1430-H1653 PolarHBondContact OE1-NE2 2.94Å; W1431-H1653 HydrophobicContact CB-CB 3.9Å; P1604-H1653 WeakPolarHBondContact CD-O 3.24Å; G1605-H1653 WeakPolarHBondContact CA-O 3.3Å; G1605-H1653 PolarHBondContact N-O 2.85Å; H1653-Y1792 PolarHBondContact CE1-OH 3.08Å |
| 1654 | R | 95.3 | Very high | 95.6 | Very high | 35 Ų | 35 | 11.7 Ų | 11.7 | 13% | 0.132 | 6% | 0.06 | C | C | . | . | S | Bend | trans | -126.6 | -43.9 | -166.6 | -166.9 | 68.7 | -178.8 | -165.8 | -0 | 115 | D1422 Y1428 H1603 P1604 E1606 D1661 | D1422-R1654 WeakPolarHBondContact OD2-CA 3.24Å; D1422-R1654 PolarHBondContact OD2-N 2.74Å; Y1428-R1654 HydrophobicContact CD1-CB 3.75Å; Y1428-R1654 HydrophobicContact CD1-CG 3.83Å; Y1428-R1654 HydrophobicContact CE1-CB 4.36Å; Y1428-R1654 HydrophobicContact CE1-CG 3.96Å; Y1428-R1654 HydrophobicContact CG-CB 3.9Å; Y1428-R1654 HydrophobicContact CG-CG 4.4Å; H1603-R1654 PolarHBondContact CE1-NH1 3.3Å; H1603-R1654 PolarHBondContact CE1-NH2 2.94Å; H1603-R1654 VanDerWaalsContact CE1-NH2 3.26Å; H1603-R1654 PolarHBondContact ND1-NH1 2.94Å; H1603-R1654 VanDerWaalsContact ND1-NH1 3.16Å; H1603-R1654 VanDerWaalsContact NE2-CZ 3.33Å; H1603-R1654 PolarHBondContact NE2-NE 3.34Å; H1603-R1654 PolarHBondContact NE2-NH2 2.59Å; P1604-R1654 WeakPolarHBondContact CD-O 3.3Å; E1606-R1654 IonicContact OE1-NH1 3.83Å; E1606-R1654 PolarHBondContact OE1-NH1 3.13Å; R1654-D1661 IonicContact CZ-OD2 3.46Å; R1654-D1661 VanDerWaalsContact CZ-OD2 3.29Å; R1654-D1661 IonicContact NE-OD2 3.46Å; R1654-D1661 PolarHBondContact NE-OD2 3.22Å; R1654-D1661 IonicContact NH2-OD2 2.8Å; R1654-D1661 PolarHBondContact NH2-OD2 2.94Å |
| 1655 | C | 95.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.067 | C | C | . | . | trans | -96.8 | 154.6 | -168.3 | -70 | 0 | 0 | 0 | 0 | 114.1 | D1422 T1425 Y1428 N1644 N1652 K1660 | D1422-C1655 HydrophobicContact CB-CB 4.23Å; D1422-C1655 PolarHBondContact OD2-N 2.98Å; T1425-C1655 HydrophobicContact CG2-CB 4.02Å; Y1428-C1655 VanDerWaalsContact CE2-SG 3.54Å; N1644-C1655 PolarHBondContact ND2-O 2.88Å; N1652-C1655 PolarHBondContact ND2-O 3.42Å; C1655-K1660 VanDerWaalsContact CA-O 3.29Å; C1655-K1660 WeakPolarHBondContact CA-O 3.5Å; C1655-K1660 WeakPolarHBondContact CB-O 3.5Å | ||
| 1656 | S | 94.4 | Very high | 95.3 | Very high | 6 Ų | 6 | 13.2 Ų | 13.2 | 4% | 0.042 | 7% | 0.067 | C | C | . | . | trans | -79.4 | 174.4 | 162.2 | 55.1 | 0 | 0 | 0 | 0 | 112 | N1644 S1658 G1659 K1660 L1662 | N1644-S1656 WeakPolarHBondContact ND2-CA 3.32Å; N1644-S1656 PolarHBondContact ND2-N 2.82Å; N1644-S1656 WeakPolarHBondContact OD1-CA 3.26Å; S1656-S1658 PolarHBondContact O-N 3.48Å; S1656-S1658 PolarHBondContact OG-OG 2.89Å; S1656-G1659 PolarHBondContact O-N 3.48Å; S1656-K1660 PolarHBondContact N-O 2.98Å; S1656-K1660 PolarHBondContact OG-O 3.3Å; S1656-L1662 WeakPolarHBondContact OG-CD2 3.13Å | ||
| 1657 | M | 94.1 | Very high | 95.1 | Very high | 10 Ų | 10 | 15.2 Ų | 15.2 | 5% | 0.049 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -15 | -178.2 | -60.5 | -58.3 | -68.6 | 0 | 0 | 115.3 | L1115 I1423 N1424 I1567 L1568 D1646 V1650 G1659 | L1115-M1657 HydrophobicContact CB-CE 3.91Å; L1115-M1657 HydrophobicContact CD2-CE 3.58Å; L1115-M1657 HydrophobicContact CG-CE 4.37Å; I1423-M1657 HydrophobicContact CB-CE 4.32Å; I1423-M1657 HydrophobicContact CB-SD 4.42Å; I1423-M1657 HydrophobicContact CD1-CE 4.17Å; I1423-M1657 HydrophobicContact CG2-CE 3.79Å; I1423-M1657 HydrophobicContact CG2-SD 4.46Å; N1424-M1657 PolarHBondContact ND2-O 2.87Å; I1567-M1657 HydrophobicContact CB-CB 4.25Å; I1567-M1657 HydrophobicContact CD1-CB 4.13Å; I1567-M1657 HydrophobicContact CG2-CB 4.29Å; L1568-M1657 HydrophobicContact CD1-CE 4.13Å; L1568-M1657 HydrophobicContact CD1-CG 4.24Å; L1568-M1657 HydrophobicContact CD1-SD 4.42Å; L1568-M1657 HydrophobicContact CD2-CE 4.39Å; L1568-M1657 HydrophobicContact CG-CE 4.5Å; L1568-M1657 HydrophobicContact CG-CG 4.15Å; D1646-M1657 HydrophobicContact CB-CG 3.36Å; D1646-M1657 HydrophobicContact CB-SD 4.17Å; V1650-M1657 HydrophobicContact CG1-CE 4.48Å; V1650-M1657 HydrophobicContact CG1-SD 4.29Å; V1650-M1657 HydrophobicContact CG2-SD 3.91Å; M1657-G1659 PolarHBondContact O-N 3.49Å |
| 1658 | S | 93 | Very high | 94.7 | Very high | 36 Ų | 36 | 21.2 Ų | 21.2 | 25% | 0.252 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -5.5 | 168.1 | 50 | 0 | 0 | 0 | 0 | 114 | S1656 K1660 I1673 | S1656-S1658 PolarHBondContact O-N 3.48Å; S1656-S1658 PolarHBondContact OG-OG 2.89Å; S1658-K1660 VanDerWaalsContact C-N 3.32Å; S1658-I1673 PolarHBondContact OG-O 3.13Å |
| 1659 | G | 92 | Very high | 94.5 | Very high | 13 Ų | 13 | 22.1 Ų | 22.1 | 13% | 0.134 | 12% | 0.115 | C | C | . | . | S | Bend | trans | 77.3 | 15.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | S1656 M1657 | S1656-G1659 PolarHBondContact O-N 3.48Å; M1657-G1659 PolarHBondContact O-N 3.49Å |
| 1660 | K | 92.7 | Very high | 94.2 | Very high | 54 Ų | 54 | 24.2 Ų | 24.2 | 24% | 0.235 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -115.7 | 144.3 | -173.3 | -67.9 | -64.6 | -170 | 165.3 | 0 | 112.9 | D1004 C1655 S1656 S1658 L1662 | D1004-K1660 IonicContact OD1-NZ 2.61Å; D1004-K1660 PolarHBondContact OD1-NZ 2.85Å; D1004-K1660 WeakPolarHBondContact OD2-CD 3.35Å; D1004-K1660 IonicContact OD2-NZ 2.7Å; D1004-K1660 PolarHBondContact OD2-NZ 3.2Å; C1655-K1660 VanDerWaalsContact CA-O 3.29Å; C1655-K1660 WeakPolarHBondContact CA-O 3.5Å; C1655-K1660 WeakPolarHBondContact CB-O 3.5Å; S1656-K1660 PolarHBondContact N-O 2.98Å; S1656-K1660 PolarHBondContact OG-O 3.3Å; S1658-K1660 VanDerWaalsContact C-N 3.32Å; K1660-L1662 PolarHBondContact O-N 2.7Å |
| 1661 | D | 95 | Very high | 93.9 | Very high | 6 Ų | 6 | 27.2 Ų | 27.2 | 3% | 0.032 | 15% | 0.151 | C | C | . | . | trans | -70.2 | 112.3 | 165.7 | -179.4 | -29 | 0 | 0 | 0 | 108.4 | H1603 R1654 N1663 R1664 H1665 | H1603-D1661 IonicContact CD2-OD1 3.84Å; H1603-D1661 IonicContact NE2-OD1 2.75Å; H1603-D1661 PolarHBondContact NE2-OD1 2.99Å; H1603-D1661 IonicContact NE2-OD2 3.65Å; R1654-D1661 IonicContact CZ-OD2 3.46Å; R1654-D1661 VanDerWaalsContact CZ-OD2 3.29Å; R1654-D1661 IonicContact NE-OD2 3.46Å; R1654-D1661 PolarHBondContact NE-OD2 3.22Å; R1654-D1661 IonicContact NH2-OD2 2.8Å; R1654-D1661 PolarHBondContact NH2-OD2 2.94Å; D1661-N1663 VanDerWaalsContact C-N 3.27Å; D1661-N1663 PolarHBondContact O-N 3.18Å; D1661-N1663 WeakPolarHBondContact OD1-CA 3.22Å; D1661-N1663 PolarHBondContact OD1-N 3.19Å; D1661-R1664 HydrophobicContact CB-CB 4.46Å; D1661-R1664 HydrophobicContact CB-CG 3.86Å; D1661-R1664 PolarHBondContact O-N 3.02Å; D1661-R1664 IonicContact OD2-CZ 3.87Å; D1661-R1664 IonicContact OD2-NE 3.7Å; D1661-H1665 PolarHBondContact O-CE1 3.48Å; D1661-H1665 PolarHBondContact O-ND1 2.98Å | ||
| 1662 | L | 96.1 | Very high | 93.6 | Very high | 3 Ų | 3 | 33.6 Ų | 33.6 | 2% | 0.016 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -65.9 | -29.6 | -178.5 | -72.1 | -177.6 | 0 | 0 | 0 | 112.4 | V1602 N1644 S1656 K1660 R1664 H1665 H1674 I1677 | V1602-L1662 HydrophobicContact CG2-CB 3.46Å; V1602-L1662 VanDerWaalsContact CG2-CB 3.46Å; V1602-L1662 HydrophobicContact CG2-CD1 4.43Å; N1644-L1662 HydrophobicContact CB-CD1 4.06Å; S1656-L1662 WeakPolarHBondContact OG-CD2 3.13Å; K1660-L1662 PolarHBondContact O-N 2.7Å; L1662-R1664 PolarHBondContact O-N 2.72Å; L1662-R1664 VanDerWaalsContact O-N 3.08Å; L1662-H1665 PolarHBondContact O-N 3.36Å; L1662-H1674 HydrophobicContact CD2-CB 4.16Å; L1662-I1677 HydrophobicContact CB-CD1 4.04Å; L1662-I1677 HydrophobicContact CB-CG1 3.88Å; L1662-I1677 HydrophobicContact CD1-CD1 4.49Å; L1662-I1677 HydrophobicContact CD1-CG1 4.35Å; L1662-I1677 HydrophobicContact CD2-CG1 4.04Å; L1662-I1677 HydrophobicContact CG-CG1 4.31Å |
| 1663 | N | 96.7 | Very high | 93.4 | Very high | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -82.2 | 25.9 | 175.8 | -147.4 | -6.3 | 0 | 0 | 0 | 113.2 | V1602 H1603 D1661 W1666 D1699 H1701 T1771 A1772 | V1602-N1663 HydrophobicContact CG1-CB 4.11Å; V1602-N1663 HydrophobicContact CG2-CB 4.13Å; H1603-N1663 WeakPolarHBondContact NE2-CB 3.35Å; D1661-N1663 VanDerWaalsContact C-N 3.27Å; D1661-N1663 PolarHBondContact O-N 3.18Å; D1661-N1663 WeakPolarHBondContact OD1-CA 3.22Å; D1661-N1663 PolarHBondContact OD1-N 3.19Å; N1663-W1666 PolarHBondContact OD1-NE1 2.96Å; N1663-D1699 PolarHBondContact ND2-OD2 3.09Å; N1663-H1701 PolarHBondContact ND2-CE1 3.16Å; N1663-H1701 VanDerWaalsContact ND2-CE1 3.33Å; N1663-H1701 PolarHBondContact ND2-NE2 3.22Å; N1663-T1771 VanDerWaalsContact OD1-CA 3.23Å; N1663-T1771 WeakPolarHBondContact OD1-CA 3.26Å; N1663-T1771 WeakPolarHBondContact OD1-CB 3.07Å; N1663-A1772 PolarHBondContact OD1-N 3.34Å |
| 1664 | R | 94 | Very high | 93.3 | Very high | 49 Ų | 49 | 37 Ų | 37 | 19% | 0.185 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -123.1 | 6.2 | 165.8 | -57.8 | -64.1 | 179.1 | -108.7 | 6 | 113.3 | E998 D1661 L1662 T1770 | E998-R1664 IonicContact OE2-CZ 3.9Å; E998-R1664 IonicContact OE2-NH1 3.67Å; E998-R1664 PolarHBondContact OE2-NH1 3.37Å; E998-R1664 IonicContact OE2-NH2 3.29Å; E998-R1664 PolarHBondContact OE2-NH2 3.08Å; D1661-R1664 HydrophobicContact CB-CB 4.46Å; D1661-R1664 HydrophobicContact CB-CG 3.86Å; D1661-R1664 PolarHBondContact O-N 3.02Å; D1661-R1664 IonicContact OD2-CZ 3.87Å; D1661-R1664 IonicContact OD2-NE 3.7Å; L1662-R1664 PolarHBondContact O-N 2.72Å; L1662-R1664 VanDerWaalsContact O-N 3.08Å; R1664-T1770 CarbonylContact C-O 3.6Å; R1664-T1770 WeakPolarHBondContact CA-OG1 3.45Å; R1664-T1770 WeakPolarHBondContact O-CB 3.29Å; R1664-T1770 PolarHBondContact O-OG1 3.19Å |
| 1665 | H | 93.4 | Very high | 93.3 | Very high | 36 Ų | 36 | 35.9 Ų | 35.9 | 17% | 0.167 | 20% | 0.199 | C | C | . | . | trans | -125.4 | 14.5 | -170.5 | -67.1 | 88.2 | 0 | 0 | 0 | 114.7 | D1661 L1662 I1667 N1668 P1669 H1674 | D1661-H1665 PolarHBondContact O-CE1 3.48Å; D1661-H1665 PolarHBondContact O-ND1 2.98Å; L1662-H1665 PolarHBondContact O-N 3.36Å; H1665-I1667 PolarHBondContact O-N 2.7Å; H1665-N1668 CarbonylContact O-C 3.5Å; H1665-P1669 WeakPolarHBondContact O-CA 3.45Å; H1665-P1669 WeakPolarHBondContact O-CB 3.45Å; H1665-P1669 VanDerWaalsContact O-CD 3.31Å; H1665-P1669 WeakPolarHBondContact O-CD 3.46Å; H1665-H1674 AromaticContact CD2-CE1 3.24Å; H1665-H1674 PolarHBondContact CD2-CE1 3.1Å; H1665-H1674 AromaticContact CD2-ND1 3.77Å; H1665-H1674 AromaticContact CD2-NE2 3.91Å; H1665-H1674 AromaticContact CG-CE1 3.58Å; H1665-H1674 AromaticContact CG-ND1 3.85Å; H1665-H1674 AromaticContact CG-NE2 3.97Å; H1665-H1674 AromaticContact NE2-CE1 3.68Å | ||
| 1666 | W | 95.8 | Very high | 93.2 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 0% | 0.004 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -72 | -22.9 | -176.9 | -72.4 | 83.6 | 0 | 0 | 0 | 115 | L1643 N1663 I1677 T1680 K1681 F1697 T1770 A1772 A1775 I1776 | L1643-W1666 HydrophobicContact CD1-CH2 4.43Å; L1643-W1666 HydrophobicContact CD1-CZ2 4.03Å; N1663-W1666 PolarHBondContact OD1-NE1 2.96Å; W1666-I1677 HydrophobicContact CB-CG2 4.39Å; W1666-I1677 HydrophobicContact CD2-CG2 3.55Å; W1666-I1677 HydrophobicContact CE3-CG2 3.89Å; W1666-I1677 HydrophobicContact CG-CG2 3.77Å; W1666-I1677 HydrophobicContact CZ2-CD1 3.82Å; W1666-I1677 HydrophobicContact CZ3-CG2 4.5Å; W1666-T1680 HydrophobicContact CH2-CG2 3.66Å; W1666-T1680 HydrophobicContact CZ3-CG2 3.82Å; W1666-K1681 WeakPolarHBondContact O-CD 3.26Å; W1666-K1681 PolarHBondContact O-NZ 2.91Å; W1666-F1697 HydrophobicContact CH2-CZ 4.15Å; W1666-T1770 WeakPolarHBondContact CB-O 3.36Å; W1666-T1770 PolarHBondContact N-O 3.07Å; W1666-T1770 VanDerWaalsContact N-O 3.14Å; W1666-A1772 VanDerWaalsContact CD1-N 3.28Å; W1666-A1772 HydrophobicContact CD2-CB 3.84Å; W1666-A1772 HydrophobicContact CE3-CB 4.43Å; W1666-A1772 HydrophobicContact CG-CB 4.26Å; W1666-A1772 HydrophobicContact CH2-CB 4.09Å; W1666-A1772 HydrophobicContact CZ2-CB 3.46Å; W1666-A1772 VanDerWaalsContact CZ2-CB 3.46Å; W1666-A1775 HydrophobicContact CB-CB 3.56Å; W1666-I1776 HydrophobicContact CE3-CD1 4.05Å; W1666-I1776 HydrophobicContact CE3-CG1 4.29Å; W1666-I1776 HydrophobicContact CZ3-CD1 3.93Å; W1666-I1776 HydrophobicContact CZ3-CG1 4.2Å |
| 1667 | I | 91.9 | Very high | 93.4 | Very high | 46 Ų | 46 | 35.9 Ų | 35.9 | 24% | 0.236 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -69 | -49.4 | 175.1 | -73.6 | -177.8 | 0 | 0 | 0 | 110.9 | H1665 K1681 E1769 T1770 A1775 | H1665-I1667 PolarHBondContact O-N 2.7Å; I1667-K1681 PolarHBondContact O-NZ 3.05Å; I1667-E1769 HydrophobicContact CD1-CG 4.31Å; I1667-E1769 VanDerWaalsContact CD1-O 3.27Å; I1667-E1769 WeakPolarHBondContact CD1-O 3.35Å; I1667-T1770 HydrophobicContact CB-CG2 4.4Å; I1667-T1770 HydrophobicContact CD1-CG2 4.06Å; I1667-T1770 HydrophobicContact CG1-CG2 4.35Å; I1667-A1775 HydrophobicContact CG1-CB 4.32Å |
| 1668 | N | 89.1 | Confident | 93.4 | Very high | 125 Ų | 125 | 37.3 Ų | 37.3 | 67% | 0.668 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -132 | 69.4 | -178.7 | -69.9 | -29.6 | 0 | 0 | 0 | 111.4 | H1665 | H1665-N1668 CarbonylContact O-C 3.5Š|
| 1669 | P | 93.2 | Very high | 93.4 | Very high | 20 Ų | 20 | 36.7 Ų | 36.7 | 13% | 0.13 | 20% | 0.197 | C | C | . | . | trans | -70.8 | 152.3 | 175.7 | 30.7 | -34.6 | 0 | 0 | 0 | 110.7 | H1665 H1674 I1677 Y1678 K1681 | H1665-P1669 WeakPolarHBondContact O-CA 3.45Å; H1665-P1669 WeakPolarHBondContact O-CB 3.45Å; H1665-P1669 VanDerWaalsContact O-CD 3.31Å; H1665-P1669 WeakPolarHBondContact O-CD 3.46Å; P1669-H1674 HydrophobicContact CB-CB 4.32Å; P1669-I1677 HydrophobicContact CB-CB 4.12Å; P1669-I1677 HydrophobicContact CB-CG2 3.9Å; P1669-I1677 HydrophobicContact CG-CG2 4.37Å; P1669-Y1678 HydrophobicContact CG-CD2 4.4Å; P1669-K1681 HydrophobicContact CG-CB 4.48Å; P1669-K1681 HydrophobicContact CG-CD 3.78Å | ||
| 1670 | S | 91.8 | Very high | 93.5 | Very high | 44 Ų | 44 | 36 Ų | 36 | 31% | 0.308 | 19% | 0.19 | S | C | . | . | trans | -108.1 | 131.9 | 174.9 | 175.8 | 0 | 0 | 0 | 0 | 109.9 | L1672 I1673 H1674 | S1670-L1672 PolarHBondContact O-N 2.75Å; S1670-L1672 VanDerWaalsContact O-N 3.09Å; S1670-L1672 PolarHBondContact OG-N 2.86Å; S1670-I1673 PolarHBondContact O-N 3.14Å; S1670-H1674 CarbonylContact O-C 3.53Å; S1670-H1674 VanDerWaalsContact O-CA 3.29Å; S1670-H1674 WeakPolarHBondContact O-CA 3.48Å; S1670-H1674 PolarHBondContact O-N 2.99Å | ||
| 1671 | S | 89.7 | Confident | 93.5 | Very high | 68 Ų | 68 | 34.4 Ų | 34.4 | 48% | 0.476 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -13.9 | 174.7 | 51.9 | 0 | 0 | 0 | 0 | 114.6 | ||
| 1672 | L | 89.8 | Confident | 93.2 | Very high | 136 Ų | 136 | 34.5 Ų | 34.5 | 71% | 0.712 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99 | -41.9 | -179.9 | -175.6 | 64.9 | 0 | 0 | 0 | 113.4 | S1670 | S1670-L1672 PolarHBondContact O-N 2.75Å; S1670-L1672 VanDerWaalsContact O-N 3.09Å; S1670-L1672 PolarHBondContact OG-N 2.86Å |
| 1673 | I | 92 | Very high | 92.9 | Very high | 77 Ų | 77 | 34.6 Ų | 34.6 | 40% | 0.395 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.5 | -11.8 | -174 | 62.2 | 165.7 | 0 | 0 | 0 | 114.5 | S1658 S1670 P1675 | S1658-I1673 PolarHBondContact OG-O 3.13Å; S1670-I1673 PolarHBondContact O-N 3.14Å; I1673-P1675 VanDerWaalsContact C-CD 3.41Å |
| 1674 | H | 94.8 | Very high | 92.6 | Very high | 8 Ų | 8 | 34.4 Ų | 34.4 | 4% | 0.037 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -131.7 | 44.2 | 173 | -48.8 | 132.2 | 0 | 0 | 0 | 111 | L1662 H1665 P1669 S1670 T1676 I1677 Y1678 | L1662-H1674 HydrophobicContact CD2-CB 4.16Å; H1665-H1674 AromaticContact CD2-CE1 3.24Å; H1665-H1674 PolarHBondContact CD2-CE1 3.1Å; H1665-H1674 AromaticContact CD2-ND1 3.77Å; H1665-H1674 AromaticContact CD2-NE2 3.91Å; H1665-H1674 AromaticContact CG-CE1 3.58Å; H1665-H1674 AromaticContact CG-ND1 3.85Å; H1665-H1674 AromaticContact CG-NE2 3.97Å; H1665-H1674 AromaticContact NE2-CE1 3.68Å; P1669-H1674 HydrophobicContact CB-CB 4.32Å; S1670-H1674 CarbonylContact O-C 3.53Å; S1670-H1674 VanDerWaalsContact O-CA 3.29Å; S1670-H1674 WeakPolarHBondContact O-CA 3.48Å; S1670-H1674 PolarHBondContact O-N 2.99Å; H1674-T1676 VanDerWaalsContact C-N 3.29Å; H1674-T1676 PolarHBondContact O-N 3.43Å; H1674-I1677 PolarHBondContact O-N 3.4Å; H1674-Y1678 PolarHBondContact O-N 3.1Å |
| 1675 | P | 93.3 | Very high | 92.2 | Very high | 12 Ų | 12 | 33.6 Ų | 33.6 | 8% | 0.078 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.5 | -38.8 | -167.9 | 22.9 | -34.5 | 0 | 0 | 0 | 113.1 | S1565 I1673 I1677 Y1678 H1679 | S1565-P1675 WeakPolarHBondContact O-CB 3.2Å; S1565-P1675 WeakPolarHBondContact O-CG 3.44Å; I1673-P1675 VanDerWaalsContact C-CD 3.41Å; P1675-I1677 PolarHBondContact O-N 3.13Å; P1675-Y1678 PolarHBondContact O-N 2.95Å; P1675-H1679 PolarHBondContact O-CD2 2.77Å; P1675-H1679 VanDerWaalsContact O-CD2 3.27Å; P1675-H1679 PolarHBondContact O-N 3.1Å |
| 1676 | T | 95.1 | Very high | 91.7 | Very high | 6 Ų | 6 | 32.8 Ų | 32.8 | 4% | 0.037 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.4 | -42.7 | -178.1 | 67.1 | 0 | 0 | 0 | 0 | 111.7 | T1564 T1566 V1572 L1643 H1674 T1680 | T1564-T1676 HydrophobicContact CG2-CG2 4.35Å; T1566-T1676 HydrophobicContact CG2-CG2 4.2Å; V1572-T1676 HydrophobicContact CG2-CG2 3.71Å; L1643-T1676 WeakPolarHBondContact O-CB 3.34Å; L1643-T1676 VanDerWaalsContact O-CG2 3.32Å; L1643-T1676 WeakPolarHBondContact O-CG2 3.5Å; L1643-T1676 PolarHBondContact O-OG1 2.88Å; H1674-T1676 VanDerWaalsContact C-N 3.29Å; H1674-T1676 PolarHBondContact O-N 3.43Å; T1676-T1680 VanDerWaalsContact O-CB 3.31Å; T1676-T1680 WeakPolarHBondContact O-CB 3.36Å; T1676-T1680 PolarHBondContact O-N 2.99Å; T1676-T1680 PolarHBondContact O-OG1 3.3Å |
| 1677 | I | 97.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -71.9 | -38.8 | 175.2 | -51.7 | -55.9 | 0 | 0 | 0 | 111.3 | V1602 L1643 L1662 W1666 P1669 H1674 P1675 K1681 | V1602-I1677 HydrophobicContact CG2-CD1 4.01Å; L1643-I1677 HydrophobicContact CD1-CD1 4.09Å; L1643-I1677 HydrophobicContact CD2-CD1 4.35Å; L1662-I1677 HydrophobicContact CB-CD1 4.04Å; L1662-I1677 HydrophobicContact CB-CG1 3.88Å; L1662-I1677 HydrophobicContact CD1-CD1 4.49Å; L1662-I1677 HydrophobicContact CD1-CG1 4.35Å; L1662-I1677 HydrophobicContact CD2-CG1 4.04Å; L1662-I1677 HydrophobicContact CG-CG1 4.31Å; W1666-I1677 HydrophobicContact CB-CG2 4.39Å; W1666-I1677 HydrophobicContact CD2-CG2 3.55Å; W1666-I1677 HydrophobicContact CE3-CG2 3.89Å; W1666-I1677 HydrophobicContact CG-CG2 3.77Å; W1666-I1677 HydrophobicContact CZ2-CD1 3.82Å; W1666-I1677 HydrophobicContact CZ3-CG2 4.5Å; P1669-I1677 HydrophobicContact CB-CB 4.12Å; P1669-I1677 HydrophobicContact CB-CG2 3.9Å; P1669-I1677 HydrophobicContact CG-CG2 4.37Å; H1674-I1677 PolarHBondContact O-N 3.4Å; P1675-I1677 PolarHBondContact O-N 3.13Å; I1677-K1681 VanDerWaalsContact O-CB 3.25Å; I1677-K1681 WeakPolarHBondContact O-CB 3.39Å; I1677-K1681 PolarHBondContact O-N 2.92Å |
| 1678 | Y | 94.5 | Very high | 90.9 | Very high | 40 Ų | 40 | 33 Ų | 33 | 16% | 0.157 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.2 | -54.6 | 176.2 | -178.2 | -86.7 | 0 | 0 | 0 | 111.4 | H1030 P1669 H1674 P1675 K1681 M1682 | H1030-Y1678 PolarHBondContact NE2-OH 2.85Å; P1669-Y1678 HydrophobicContact CG-CD2 4.4Å; H1674-Y1678 PolarHBondContact O-N 3.1Å; P1675-Y1678 PolarHBondContact O-N 2.95Å; Y1678-K1681 WeakPolarHBondContact O-CB 3.24Å; Y1678-K1681 PolarHBondContact O-N 3.38Å; Y1678-M1682 HydrophobicContact CD1-CG 4Å; Y1678-M1682 HydrophobicContact CE1-CG 3.68Å; Y1678-M1682 HydrophobicContact CE1-SD 4.26Å; Y1678-M1682 VanDerWaalsContact O-CG 3.3Å; Y1678-M1682 WeakPolarHBondContact O-CG 3.25Å; Y1678-M1682 PolarHBondContact O-N 2.84Å |
| 1679 | H | 92.6 | Very high | 90.5 | Very high | 22 Ų | 22 | 31.2 Ų | 31.2 | 10% | 0.102 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -71.7 | -32.6 | -178.2 | -73.2 | -81.3 | 0 | 0 | 0 | 113.1 | H1039 L1563 T1564 P1675 K1681 M1682 L1683 | H1039-H1679 AromaticContact NE2-ND1 3.46Å; H1039-H1679 PolarHBondContact NE2-ND1 3.16Å; L1563-H1679 HydrophobicContact CD1-CB 4.15Å; L1563-H1679 HydrophobicContact CG-CB 4.03Å; T1564-H1679 VanDerWaalsContact CB-CD2 3.42Å; T1564-H1679 WeakPolarHBondContact CB-CD2 3.46Å; T1564-H1679 HydrophobicContact CG2-CB 4.11Å; T1564-H1679 PolarHBondContact OG1-CD2 2.94Å; T1564-H1679 PolarHBondContact OG1-NE2 3.1Å; P1675-H1679 PolarHBondContact O-CD2 2.77Å; P1675-H1679 VanDerWaalsContact O-CD2 3.27Å; P1675-H1679 PolarHBondContact O-N 3.1Å; H1679-K1681 VanDerWaalsContact C-N 3.29Å; H1679-K1681 PolarHBondContact O-N 3.34Å; H1679-M1682 PolarHBondContact O-N 3.03Å; H1679-L1683 PolarHBondContact O-N 2.95Å |
| 1680 | T | 94.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.3 | -40 | 170.5 | -55.5 | 0 | 0 | 0 | 0 | 111.3 | L1563 T1599 I1640 L1643 W1666 T1676 M1684 | L1563-T1680 WeakPolarHBondContact CD2-OG1 3.44Å; T1599-T1680 HydrophobicContact CG2-CG2 4.04Å; I1640-T1680 HydrophobicContact CD1-CG2 3.62Å; L1643-T1680 WeakPolarHBondContact CD2-OG1 3.28Å; W1666-T1680 HydrophobicContact CH2-CG2 3.66Å; W1666-T1680 HydrophobicContact CZ3-CG2 3.82Å; T1676-T1680 VanDerWaalsContact O-CB 3.31Å; T1676-T1680 WeakPolarHBondContact O-CB 3.36Å; T1676-T1680 PolarHBondContact O-N 2.99Å; T1676-T1680 PolarHBondContact O-OG1 3.3Å; T1680-M1684 VanDerWaalsContact O-CG 3.32Å; T1680-M1684 WeakPolarHBondContact O-CG 3.3Å; T1680-M1684 PolarHBondContact O-N 2.97Å |
| 1681 | K | 93.3 | Very high | 89.3 | Confident | 19 Ų | 19 | 39.8 Ų | 39.8 | 8% | 0.083 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.8 | -40.5 | 175.8 | -178.5 | 176.4 | -174.8 | 156 | 0 | 112.8 | W1666 I1667 P1669 I1677 Y1678 H1679 L1683 M1684 E1685 Q1779 F1780 | W1666-K1681 WeakPolarHBondContact O-CD 3.26Å; W1666-K1681 PolarHBondContact O-NZ 2.91Å; I1667-K1681 PolarHBondContact O-NZ 3.05Å; P1669-K1681 HydrophobicContact CG-CB 4.48Å; P1669-K1681 HydrophobicContact CG-CD 3.78Å; I1677-K1681 VanDerWaalsContact O-CB 3.25Å; I1677-K1681 WeakPolarHBondContact O-CB 3.39Å; I1677-K1681 PolarHBondContact O-N 2.92Å; Y1678-K1681 WeakPolarHBondContact O-CB 3.24Å; Y1678-K1681 PolarHBondContact O-N 3.38Å; H1679-K1681 VanDerWaalsContact C-N 3.29Å; H1679-K1681 PolarHBondContact O-N 3.34Å; K1681-L1683 VanDerWaalsContact C-N 3.3Å; K1681-L1683 PolarHBondContact O-N 3.08Å; K1681-M1684 WeakPolarHBondContact O-CB 3.44Å; K1681-M1684 PolarHBondContact O-N 2.96Å; K1681-M1684 VanDerWaalsContact O-N 3.11Å; K1681-E1685 PolarHBondContact O-N 3.48Å; K1681-Q1779 VanDerWaalsContact CE-OE1 3.26Å; K1681-F1780 HydrophobicContact CG-CE2 4.05Å; K1681-F1780 HydrophobicContact CG-CZ 3.82Å |
| 1682 | M | 89.3 | Confident | 89 | Confident | 8 Ų | 8 | 38.5 Ų | 38.5 | 4% | 0.039 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.8 | -34 | 176.6 | -65.8 | -71.5 | 95 | 0 | 0 | 112.3 | H1030 L1035 H1039 Y1678 H1679 M1684 E1685 F1686 | H1030-M1682 VanDerWaalsContact CD2-SD 3.59Å; L1035-M1682 HydrophobicContact CD2-CB 4.07Å; L1035-M1682 HydrophobicContact CD2-SD 3.88Å; H1039-M1682 WeakPolarHBondContact CE1-CB 3.21Å; H1039-M1682 WeakPolarHBondContact NE2-CB 3.33Å; Y1678-M1682 HydrophobicContact CD1-CG 4Å; Y1678-M1682 HydrophobicContact CE1-CG 3.68Å; Y1678-M1682 HydrophobicContact CE1-SD 4.26Å; Y1678-M1682 VanDerWaalsContact O-CG 3.3Å; Y1678-M1682 WeakPolarHBondContact O-CG 3.25Å; Y1678-M1682 PolarHBondContact O-N 2.84Å; H1679-M1682 PolarHBondContact O-N 3.03Å; M1682-M1684 VanDerWaalsContact C-N 3.33Å; M1682-M1684 PolarHBondContact O-N 2.92Å; M1682-E1685 WeakPolarHBondContact CE-OE2 3.44Å; M1682-E1685 PolarHBondContact O-N 3.38Å; M1682-F1686 WeakPolarHBondContact O-CB 3.16Å; M1682-F1686 PolarHBondContact O-N 2.93Å |
| 1683 | L | 89.2 | Confident | 88.8 | Confident | 5 Ų | 5 | 34 Ų | 34 | 3% | 0.026 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.4 | -42.8 | 169.4 | 171.9 | 57.1 | 0 | 0 | 0 | 111.6 | F1043 L1574 H1679 K1681 F1686 L1687 | F1043-L1683 HydrophobicContact CD1-CD1 4.42Å; F1043-L1683 HydrophobicContact CE1-CD1 3.59Å; F1043-L1683 HydrophobicContact CE1-CD2 4.31Å; F1043-L1683 HydrophobicContact CE1-CG 4.45Å; F1043-L1683 HydrophobicContact CZ-CB 4.32Å; F1043-L1683 HydrophobicContact CZ-CD1 3.91Å; F1043-L1683 HydrophobicContact CZ-CD2 4.32Å; F1043-L1683 HydrophobicContact CZ-CG 4.41Å; L1574-L1683 HydrophobicContact CD1-CD2 4.18Å; L1574-L1683 HydrophobicContact CD2-CD2 4.04Å; H1679-L1683 PolarHBondContact O-N 2.95Å; K1681-L1683 VanDerWaalsContact C-N 3.3Å; K1681-L1683 PolarHBondContact O-N 3.08Å; L1683-F1686 PolarHBondContact O-N 3.23Å; L1683-L1687 HydrophobicContact CD1-CD1 3.89Å; L1683-L1687 HydrophobicContact CD1-CG 4.06Å; L1683-L1687 HydrophobicContact CG-CD1 4.25Å; L1683-L1687 WeakPolarHBondContact O-CB 3.47Å; L1683-L1687 VanDerWaalsContact O-CG 3.31Å; L1683-L1687 WeakPolarHBondContact O-CG 3.35Å; L1683-L1687 PolarHBondContact O-N 2.67Å |
| 1684 | M | 89.9 | Confident | 88.7 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.8 | -42.7 | 176.3 | -59.3 | -83.8 | 179.8 | 0 | 0 | 112.2 | I1597 T1680 K1681 M1682 L1687 T1688 P1694 F1697 I1776 F1780 | I1597-M1684 HydrophobicContact CB-CE 4.04Å; I1597-M1684 HydrophobicContact CD1-CE 3.94Å; I1597-M1684 HydrophobicContact CD1-SD 3.95Å; I1597-M1684 HydrophobicContact CG2-CE 3.64Å; T1680-M1684 VanDerWaalsContact O-CG 3.32Å; T1680-M1684 WeakPolarHBondContact O-CG 3.3Å; T1680-M1684 PolarHBondContact O-N 2.97Å; K1681-M1684 WeakPolarHBondContact O-CB 3.44Å; K1681-M1684 PolarHBondContact O-N 2.96Å; K1681-M1684 VanDerWaalsContact O-N 3.11Å; M1682-M1684 VanDerWaalsContact C-N 3.33Å; M1682-M1684 PolarHBondContact O-N 2.92Å; M1684-L1687 PolarHBondContact O-N 3.01Å; M1684-T1688 WeakPolarHBondContact O-CB 3.44Å; M1684-T1688 PolarHBondContact O-N 3.05Å; M1684-T1688 PolarHBondContact O-OG1 3.13Å; M1684-P1694 HydrophobicContact SD-CG 4.01Å; M1684-F1697 HydrophobicContact CE-CD2 3.37Å; M1684-F1697 HydrophobicContact CE-CE2 3.51Å; M1684-F1697 HydrophobicContact CE-CG 4.38Å; M1684-I1776 HydrophobicContact CB-CD1 4.28Å; M1684-I1776 HydrophobicContact CE-CD1 4.14Å; M1684-I1776 HydrophobicContact CG-CD1 3.67Å; M1684-I1776 HydrophobicContact SD-CD1 4.03Å; M1684-I1776 HydrophobicContact SD-CG2 4.23Å; M1684-F1780 HydrophobicContact CB-CD1 4.25Å; M1684-F1780 HydrophobicContact CB-CD2 3.48Å; M1684-F1780 VanDerWaalsContact CB-CD2 3.48Å; M1684-F1780 HydrophobicContact CB-CE1 4.25Å; M1684-F1780 HydrophobicContact CB-CE2 3.47Å; M1684-F1780 VanDerWaalsContact CB-CE2 3.47Å; M1684-F1780 HydrophobicContact CB-CG 3.88Å; M1684-F1780 HydrophobicContact CB-CZ 3.87Å; M1684-F1780 HydrophobicContact CG-CD2 4.24Å; M1684-F1780 HydrophobicContact CG-CE2 4.27Å |
| 1685 | E | 87.3 | Confident | 88.7 | Confident | 32 Ų | 32 | 32.5 Ų | 32.5 | 15% | 0.15 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.3 | -43.2 | 177.2 | -169.4 | 162.9 | -171.2 | 0 | 0 | 111.2 | L1035 K1681 M1682 T1688 L1689 F1780 | L1035-E1685 HydrophobicContact CD1-CG 4.15Å; K1681-E1685 PolarHBondContact O-N 3.48Å; M1682-E1685 WeakPolarHBondContact CE-OE2 3.44Å; M1682-E1685 PolarHBondContact O-N 3.38Å; E1685-T1688 PolarHBondContact O-N 3.39Å; E1685-L1689 HydrophobicContact CG-CD1 4Å; E1685-L1689 WeakPolarHBondContact O-CB 3.29Å; E1685-L1689 WeakPolarHBondContact O-CD1 2.93Å; E1685-L1689 VanDerWaalsContact O-CG 3.25Å; E1685-L1689 WeakPolarHBondContact O-CG 3.49Å; E1685-L1689 PolarHBondContact O-N 3.38Å; E1685-F1780 VanDerWaalsContact CA-CE1 3.45Å; E1685-F1780 HydrophobicContact CB-CE1 3.64Å; E1685-F1780 HydrophobicContact CB-CZ 4.1Å; E1685-F1780 HydrophobicContact CG-CE1 4.16Å |
| 1686 | F | 82.1 | Confident | 88.8 | Confident | 20 Ų | 20 | 32 Ų | 32 | 9% | 0.088 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.6 | -51.4 | 173.9 | 174.6 | -100.8 | 0 | 0 | 0 | 112.5 | F1032 W1046 M1682 L1683 T1688 L1689 C1690 | F1032-F1686 HydrophobicContact CE2-CE2 4.33Å; F1032-F1686 HydrophobicContact CZ-CE2 4.27Å; W1046-F1686 HydrophobicContact CD2-CE1 4.35Å; W1046-F1686 HydrophobicContact CD2-CE2 4.34Å; W1046-F1686 AromaticContact CD2-CZ 3.83Å; W1046-F1686 HydrophobicContact CD2-CZ 3.83Å; W1046-F1686 AromaticContact CE2-CE1 3.41Å; W1046-F1686 VanDerWaalsContact CE2-CE1 3.41Å; W1046-F1686 AromaticContact CE2-CE2 3.8Å; W1046-F1686 AromaticContact CE2-CZ 3.25Å; W1046-F1686 HydrophobicContact CE3-CE2 4.32Å; W1046-F1686 HydrophobicContact CE3-CZ 4.23Å; W1046-F1686 HydrophobicContact CH2-CD1 4.47Å; W1046-F1686 AromaticContact CH2-CD2 3.54Å; W1046-F1686 HydrophobicContact CH2-CD2 3.54Å; W1046-F1686 HydrophobicContact CH2-CE1 4.29Å; W1046-F1686 AromaticContact CH2-CE2 3.29Å; W1046-F1686 HydrophobicContact CH2-CE2 3.29Å; W1046-F1686 HydrophobicContact CH2-CG 4.14Å; W1046-F1686 AromaticContact CH2-CZ 3.71Å; W1046-F1686 HydrophobicContact CH2-CZ 3.71Å; W1046-F1686 AromaticContact CZ2-CD1 3.61Å; W1046-F1686 HydrophobicContact CZ2-CD1 3.61Å; W1046-F1686 AromaticContact CZ2-CD2 3.51Å; W1046-F1686 HydrophobicContact CZ2-CD2 3.51Å; W1046-F1686 AromaticContact CZ2-CE1 3.39Å; W1046-F1686 HydrophobicContact CZ2-CE1 3.39Å; W1046-F1686 AromaticContact CZ2-CE2 3.28Å; W1046-F1686 HydrophobicContact CZ2-CE2 3.28Å; W1046-F1686 AromaticContact CZ2-CG 3.67Å; W1046-F1686 HydrophobicContact CZ2-CG 3.67Å; W1046-F1686 AromaticContact CZ2-CZ 3.22Å; W1046-F1686 HydrophobicContact CZ2-CZ 3.22Å; W1046-F1686 HydrophobicContact CZ3-CD2 4.45Å; W1046-F1686 AromaticContact CZ3-CE2 3.83Å; W1046-F1686 HydrophobicContact CZ3-CE2 3.83Å; W1046-F1686 HydrophobicContact CZ3-CZ 4.18Å; W1046-F1686 AromaticContact NE1-CE1 3.35Å; W1046-F1686 VanDerWaalsContact NE1-CE1 3.35Å; W1046-F1686 AromaticContact NE1-CZ 3.6Å; M1682-F1686 WeakPolarHBondContact O-CB 3.16Å; M1682-F1686 PolarHBondContact O-N 2.93Å; L1683-F1686 PolarHBondContact O-N 3.23Å; F1686-T1688 PolarHBondContact O-N 2.94Å; F1686-L1689 PolarHBondContact O-N 3.36Å; F1686-L1689 VanDerWaalsContact O-N 3.08Å; F1686-C1690 VanDerWaalsContact CE2-SG 3.56Å; F1686-C1690 WeakPolarHBondContact CZ-SG 3.3Å; F1686-C1690 PolarHBondContact O-N 3.15Å |
| 1687 | L | 86.2 | Confident | 88.9 | Confident | 7 Ų | 7 | 31.7 Ų | 31.7 | 4% | 0.037 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.2 | -35.6 | 179.2 | -71.4 | 175.3 | 0 | 0 | 0 | 112.2 | Y1595 I1597 L1683 M1684 C1690 E1691 R1692 | Y1595-L1687 HydrophobicContact CD2-CD1 4.32Å; Y1595-L1687 HydrophobicContact CD2-CD2 3.92Å; Y1595-L1687 HydrophobicContact CE1-CD2 4.38Å; Y1595-L1687 HydrophobicContact CE2-CD2 3.49Å; Y1595-L1687 VanDerWaalsContact CE2-CD2 3.49Å; Y1595-L1687 HydrophobicContact CG-CD1 4.32Å; I1597-L1687 HydrophobicContact CD1-CD1 3.61Å; L1683-L1687 HydrophobicContact CD1-CD1 3.89Å; L1683-L1687 HydrophobicContact CD1-CG 4.06Å; L1683-L1687 HydrophobicContact CG-CD1 4.25Å; L1683-L1687 WeakPolarHBondContact O-CB 3.47Å; L1683-L1687 VanDerWaalsContact O-CG 3.31Å; L1683-L1687 WeakPolarHBondContact O-CG 3.35Å; L1683-L1687 PolarHBondContact O-N 2.67Å; M1684-L1687 PolarHBondContact O-N 3.01Å; L1687-C1690 PolarHBondContact O-N 3.23Å; L1687-E1691 PolarHBondContact O-N 2.95Å; L1687-R1692 CarbonylContact O-C 3.54Å; L1687-R1692 VanDerWaalsContact O-C 3.25Å; L1687-R1692 WeakPolarHBondContact O-CA 3.45Å; L1687-R1692 PolarHBondContact O-N 3.23Å |
| 1688 | T | 83.8 | Confident | 88.9 | Confident | 45 Ų | 45 | 31.7 Ų | 31.7 | 28% | 0.276 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -68.1 | -39 | 174.1 | -53.9 | 0 | 0 | 0 | 0 | 112 | M1684 E1685 F1686 C1690 E1691 F1780 | M1684-T1688 WeakPolarHBondContact O-CB 3.44Å; M1684-T1688 PolarHBondContact O-N 3.05Å; M1684-T1688 PolarHBondContact O-OG1 3.13Å; E1685-T1688 PolarHBondContact O-N 3.39Å; F1686-T1688 PolarHBondContact O-N 2.94Å; T1688-C1690 VanDerWaalsContact C-N 3.29Å; T1688-C1690 PolarHBondContact O-N 2.84Å; T1688-E1691 PolarHBondContact O-N 3.21Å; T1688-E1691 VanDerWaalsContact O-N 3.08Å; T1688-F1780 HydrophobicContact CG2-CD1 4.44Å; T1688-F1780 WeakPolarHBondContact OG1-CD1 3.19Å |
| 1689 | L | 80.9 | Confident | 89.1 | Confident | 86 Ų | 86 | 29.8 Ų | 29.8 | 45% | 0.45 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -70 | -24.4 | 176.1 | -74 | 164.1 | 0 | 0 | 0 | 113.2 | F1032 L1035 E1685 F1686 E1691 | F1032-L1689 HydrophobicContact CD2-CB 4.32Å; F1032-L1689 HydrophobicContact CD2-CD1 4.32Å; F1032-L1689 HydrophobicContact CE2-CB 4.31Å; L1035-L1689 HydrophobicContact CD1-CD1 3.52Å; E1685-L1689 HydrophobicContact CG-CD1 4Å; E1685-L1689 WeakPolarHBondContact O-CB 3.29Å; E1685-L1689 WeakPolarHBondContact O-CD1 2.93Å; E1685-L1689 VanDerWaalsContact O-CG 3.25Å; E1685-L1689 WeakPolarHBondContact O-CG 3.49Å; E1685-L1689 PolarHBondContact O-N 3.38Å; F1686-L1689 PolarHBondContact O-N 3.36Å; F1686-L1689 VanDerWaalsContact O-N 3.08Å; L1689-E1691 VanDerWaalsContact C-N 3.25Å |
| 1690 | C | 77.5 | Confident | 89.4 | Confident | 55 Ų | 55 | 28.7 Ų | 28.7 | 37% | 0.372 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 14.2 | 168.7 | -73.2 | 0 | 0 | 0 | 0 | 113.5 | F1686 L1687 T1688 R1692 | F1686-C1690 VanDerWaalsContact CE2-SG 3.56Å; F1686-C1690 WeakPolarHBondContact CZ-SG 3.3Å; F1686-C1690 PolarHBondContact O-N 3.15Å; L1687-C1690 PolarHBondContact O-N 3.23Å; T1688-C1690 VanDerWaalsContact C-N 3.29Å; T1688-C1690 PolarHBondContact O-N 2.84Å; C1690-R1692 PolarHBondContact O-N 3.31Å |
| 1691 | E | 83.2 | Confident | 89.6 | Confident | 189 Ų | 189 | 28.9 Ų | 28.9 | 88% | 0.883 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | 15 | -179.9 | -56.5 | -175.7 | 175.1 | 0 | 0 | 114.5 | L1687 T1688 L1689 | L1687-E1691 PolarHBondContact O-N 2.95Å; T1688-E1691 PolarHBondContact O-N 3.21Å; T1688-E1691 VanDerWaalsContact O-N 3.08Å; L1689-E1691 VanDerWaalsContact C-N 3.25Å |
| 1692 | R | 82.6 | Confident | 89.6 | Confident | 41 Ų | 41 | 28.2 Ų | 28.2 | 16% | 0.155 | 15% | 0.146 | C | C | . | . | trans | -114 | 49.8 | -179 | -66.9 | 178.9 | 69.6 | 177.8 | 5.1 | 111.7 | E1052 I1590 N1591 R1593 Y1595 L1687 C1690 | E1052-R1692 IonicContact OE2-NH1 2.74Å; I1590-R1692 PolarHBondContact O-NH2 2.84Å; N1591-R1692 VanDerWaalsContact C-CZ 3.47Å; N1591-R1692 WeakPolarHBondContact O-CD 3.45Å; N1591-R1692 PolarHBondContact O-NE 3.03Å; N1591-R1692 VanDerWaalsContact O-NE 3.14Å; N1591-R1692 PolarHBondContact O-NH1 3.4Å; N1591-R1692 PolarHBondContact O-NH2 3.38Å; R1593-R1692 PolarHBondContact O-NH2 3.34Å; Y1595-R1692 HydrophobicContact CD2-CB 4.15Å; Y1595-R1692 HydrophobicContact CE2-CB 3.98Å; L1687-R1692 CarbonylContact O-C 3.54Å; L1687-R1692 VanDerWaalsContact O-C 3.25Å; L1687-R1692 WeakPolarHBondContact O-CA 3.45Å; L1687-R1692 PolarHBondContact O-N 3.23Å; C1690-R1692 PolarHBondContact O-N 3.31Å | ||
| 1693 | S | 85.6 | Confident | 89.7 | Confident | 42 Ų | 42 | 28.2 Ų | 28.2 | 29% | 0.294 | 15% | 0.146 | S | C | . | . | trans | -57.1 | 140.5 | 174.8 | -173.9 | 0 | 0 | 0 | 0 | 111.1 | F1780 V1782 | S1693-F1780 PolarHBondContact OG-O 2.87Å; S1693-V1782 WeakPolarHBondContact OG-CG2 3.33Å | ||
| 1694 | P | 91.3 | Very high | 89.5 | Confident | 6 Ų | 6 | 28.6 Ų | 28.6 | 4% | 0.039 | 15% | 0.149 | C | C | . | . | trans | -55.8 | 139.1 | -176 | -29 | 36 | 0 | 0 | 0 | 114.9 | Y1595 I1597 M1684 I1696 V1782 | Y1595-P1694 WeakPolarHBondContact O-CA 3.46Å; I1597-P1694 HydrophobicContact CD1-CB 4.36Å; I1597-P1694 HydrophobicContact CD1-CG 3.52Å; I1597-P1694 HydrophobicContact CG1-CB 4.1Å; I1597-P1694 HydrophobicContact CG1-CG 3.8Å; M1684-P1694 HydrophobicContact SD-CG 4.01Å; P1694-I1696 VanDerWaalsContact C-N 3.35Å; P1694-V1782 HydrophobicContact CB-CG1 4.44Å; P1694-V1782 HydrophobicContact CB-CG2 4.05Å; P1694-V1782 HydrophobicContact CG-CG2 4.19Å | ||
| 1695 | Y | 92.9 | Very high | 89.1 | Confident | 48 Ų | 48 | 33.3 Ų | 33.3 | 19% | 0.188 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -71.5 | -32.5 | 173.7 | -179.9 | -103 | 0 | 0 | 0 | 112 | P1594 Y1595 F1635 R1784 L1852 | P1594-Y1695 HydrophobicContact CB-CG 4.43Å; Y1595-Y1695 PolarHBondContact O-N 2.95Å; F1635-Y1695 AromaticContact CE1-CD1 3.52Å; F1635-Y1695 HydrophobicContact CE1-CD1 3.52Å; F1635-Y1695 AromaticContact CE1-CE1 3.98Å; F1635-Y1695 HydrophobicContact CE1-CE1 3.98Å; F1635-Y1695 HydrophobicContact CE1-CG 4.07Å; F1635-Y1695 HydrophobicContact CZ-CD1 4.03Å; F1635-Y1695 HydrophobicContact CZ-CE1 4.01Å; Y1695-R1784 WeakPolarHBondContact O-CB 3.29Å; Y1695-R1784 PolarHBondContact OH-NH1 3.05Å; Y1695-L1852 HydrophobicContact CE1-CD2 4.48Å; Y1695-L1852 PolarHBondContact OH-O 3.47Å |
| 1696 | I | 95.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 140.8 | 175.5 | -66.7 | 167.5 | 0 | 0 | 0 | 109.2 | I1596 I1597 P1694 I1698 R1784 Y1786 F1849 L1852 | I1596-I1696 HydrophobicContact CD1-CD1 4.21Å; I1596-I1696 HydrophobicContact CG1-CB 4.31Å; I1596-I1696 HydrophobicContact CG1-CD1 4.44Å; I1596-I1696 HydrophobicContact CG2-CB 4.29Å; I1596-I1696 HydrophobicContact CG2-CG2 4.4Å; I1597-I1696 PolarHBondContact N-O 3.19Å; P1694-I1696 VanDerWaalsContact C-N 3.35Å; I1696-I1698 HydrophobicContact CG2-CD1 4.04Å; I1696-I1698 HydrophobicContact CG2-CG1 3.69Å; I1696-R1784 WeakPolarHBondContact CA-O 3.47Å; I1696-R1784 HydrophobicContact CG1-CB 4.08Å; I1696-Y1786 HydrophobicContact CG2-CD2 4.5Å; I1696-F1849 HydrophobicContact CD1-CD1 3.59Å; I1696-F1849 HydrophobicContact CD1-CE1 3.82Å; I1696-F1849 HydrophobicContact CD1-CG 4.3Å; I1696-F1849 HydrophobicContact CG2-CE1 4.34Å; I1696-L1852 HydrophobicContact CD1-CD2 3.8Å |
| 1697 | F | 97.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 135.1 | 162.1 | 173.3 | -98.5 | 0 | 0 | 0 | 110.4 | I1597 T1599 W1666 M1684 D1699 A1772 I1776 V1782 R1784 S1785 Y1786 | I1597-F1697 HydrophobicContact CB-CD2 4.21Å; I1597-F1697 HydrophobicContact CG2-CD2 4.24Å; I1597-F1697 HydrophobicContact CG2-CE2 4.49Å; I1597-F1697 WeakPolarHBondContact O-CA 3.49Å; T1599-F1697 HydrophobicContact CG2-CE2 3.81Å; T1599-F1697 HydrophobicContact CG2-CZ 4.24Å; T1599-F1697 VanDerWaalsContact OG1-CZ 3.28Å; T1599-F1697 WeakPolarHBondContact OG1-CZ 3.39Å; W1666-F1697 HydrophobicContact CH2-CZ 4.15Å; M1684-F1697 HydrophobicContact CE-CD2 3.37Å; M1684-F1697 HydrophobicContact CE-CE2 3.51Å; M1684-F1697 HydrophobicContact CE-CG 4.38Å; F1697-D1699 HydrophobicContact CE1-CB 4.02Å; F1697-D1699 HydrophobicContact CZ-CB 4.14Å; F1697-A1772 HydrophobicContact CE1-CB 3.7Å; F1697-A1772 HydrophobicContact CZ-CB 3.86Å; F1697-I1776 HydrophobicContact CB-CG2 3.96Å; F1697-I1776 HydrophobicContact CD1-CB 4.2Å; F1697-I1776 HydrophobicContact CD1-CG1 4.24Å; F1697-I1776 HydrophobicContact CD1-CG2 4.11Å; F1697-I1776 HydrophobicContact CD2-CG2 4.42Å; F1697-I1776 HydrophobicContact CE1-CB 4.5Å; F1697-I1776 HydrophobicContact CE1-CG1 4.1Å; F1697-I1776 HydrophobicContact CE2-CG1 4.46Å; F1697-I1776 HydrophobicContact CG-CB 4.44Å; F1697-I1776 HydrophobicContact CG-CG1 4.46Å; F1697-I1776 HydrophobicContact CG-CG2 3.88Å; F1697-I1776 HydrophobicContact CZ-CG1 4.21Å; F1697-V1782 HydrophobicContact CB-CG1 3.91Å; F1697-R1784 PolarHBondContact N-O 2.78Å; F1697-S1785 VanDerWaalsContact CD1-OG 3.3Å; F1697-S1785 WeakPolarHBondContact CD1-OG 3.19Å; F1697-S1785 WeakPolarHBondContact O-CA 3.45Å; F1697-Y1786 PolarHBondContact O-N 3.31Å |
| 1698 | I | 98.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 126.1 | 173.3 | -51.3 | -175.3 | 0 | 0 | 0 | 111.1 | I1597 L1598 T1599 I1696 F1700 L1744 Y1786 I1788 L1845 F1849 | I1597-I1698 PolarHBondContact O-N 2.69Å; L1598-I1698 WeakPolarHBondContact CA-O 3.43Å; L1598-I1698 HydrophobicContact CD2-CB 3.94Å; L1598-I1698 HydrophobicContact CD2-CD1 4.16Å; L1598-I1698 HydrophobicContact CD2-CG1 4.06Å; T1599-I1698 PolarHBondContact N-O 3.12Å; T1599-I1698 PolarHBondContact OG1-O 3.23Å; I1696-I1698 HydrophobicContact CG2-CD1 4.04Å; I1696-I1698 HydrophobicContact CG2-CG1 3.69Å; I1698-F1700 HydrophobicContact CB-CD2 4.3Å; I1698-F1700 HydrophobicContact CB-CE2 3.76Å; I1698-F1700 HydrophobicContact CB-CZ 4.18Å; I1698-F1700 HydrophobicContact CD1-CZ 4.32Å; I1698-F1700 HydrophobicContact CG2-CD1 4.34Å; I1698-F1700 HydrophobicContact CG2-CD2 3.77Å; I1698-F1700 HydrophobicContact CG2-CE1 4.11Å; I1698-F1700 HydrophobicContact CG2-CE2 3.5Å; I1698-F1700 HydrophobicContact CG2-CG 4.19Å; I1698-F1700 HydrophobicContact CG2-CZ 3.71Å; I1698-L1744 HydrophobicContact CD1-CD2 4.34Å; I1698-Y1786 WeakPolarHBondContact CA-O 3.3Å; I1698-Y1786 HydrophobicContact CD1-CD2 4.5Å; I1698-Y1786 HydrophobicContact CG1-CD2 4.14Å; I1698-I1788 HydrophobicContact CD1-CD1 3.94Å; I1698-I1788 HydrophobicContact CG2-CB 4.02Å; I1698-I1788 HydrophobicContact CG2-CD1 3.83Å; I1698-I1788 HydrophobicContact CG2-CG1 3.69Å; I1698-L1845 HydrophobicContact CD1-CD1 4.44Å; I1698-L1845 HydrophobicContact CD1-CD2 4.2Å; I1698-F1849 HydrophobicContact CD1-CE1 3.89Å; I1698-F1849 HydrophobicContact CD1-CZ 3.73Å |
| 1699 | D | 98.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 122.3 | 165.3 | -151 | 16.5 | 0 | 0 | 0 | 109.4 | T1599 N1663 F1697 H1701 A1772 Y1786 T1787 I1788 | T1599-D1699 WeakPolarHBondContact CB-OD1 3.41Å; T1599-D1699 CarbonylContact O-C 3.33Å; T1599-D1699 WeakPolarHBondContact O-CA 3.4Å; T1599-D1699 WeakPolarHBondContact OG1-CA 3.42Å; T1599-D1699 VanDerWaalsContact OG1-CG 3.3Å; T1599-D1699 PolarHBondContact OG1-OD1 3.07Å; N1663-D1699 PolarHBondContact ND2-OD2 3.09Å; F1697-D1699 HydrophobicContact CE1-CB 4.02Å; F1697-D1699 HydrophobicContact CZ-CB 4.14Å; D1699-H1701 IonicContact OD2-NE2 2.67Å; D1699-H1701 PolarHBondContact OD2-NE2 3.49Å; D1699-A1772 HydrophobicContact CB-CB 4.04Å; D1699-A1772 WeakPolarHBondContact OD2-CB 3.41Å; D1699-Y1786 PolarHBondContact N-O 2.85Å; D1699-T1787 CarbonylContact O-C 3.5Å; D1699-T1787 VanDerWaalsContact O-CA 3.32Å; D1699-T1787 WeakPolarHBondContact O-CA 3.32Å; D1699-I1788 PolarHBondContact O-N 3.31Å |
| 1700 | F | 98.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 133.3 | -175.2 | -68.1 | -98.3 | 0 | 0 | 0 | 112.7 | L1598 T1599 S1609 I1612 I1613 I1698 I1788 L1845 | L1598-F1700 HydrophobicContact CB-CE2 4.04Å; L1598-F1700 HydrophobicContact CD2-CE2 3.96Å; L1598-F1700 HydrophobicContact CD2-CZ 4.39Å; L1598-F1700 HydrophobicContact CG-CE2 4.37Å; T1599-F1700 WeakPolarHBondContact O-CD2 3.33Å; T1599-F1700 PolarHBondContact O-N 2.9Å; S1609-F1700 WeakPolarHBondContact CB-O 3.33Å; I1612-F1700 HydrophobicContact CD1-CD1 4.45Å; I1612-F1700 HydrophobicContact CG2-CD1 3.9Å; I1612-F1700 HydrophobicContact CG2-CE1 3.67Å; I1613-F1700 HydrophobicContact CD1-CD2 3.82Å; I1613-F1700 HydrophobicContact CD1-CE2 3.68Å; I1613-F1700 HydrophobicContact CD1-CG 4.43Å; I1613-F1700 HydrophobicContact CD1-CZ 4.18Å; I1613-F1700 HydrophobicContact CG1-CD2 4.36Å; I1698-F1700 HydrophobicContact CB-CD2 4.3Å; I1698-F1700 HydrophobicContact CB-CE2 3.76Å; I1698-F1700 HydrophobicContact CB-CZ 4.18Å; I1698-F1700 HydrophobicContact CD1-CZ 4.32Å; I1698-F1700 HydrophobicContact CG2-CD1 4.34Å; I1698-F1700 HydrophobicContact CG2-CD2 3.77Å; I1698-F1700 HydrophobicContact CG2-CE1 4.11Å; I1698-F1700 HydrophobicContact CG2-CE2 3.5Å; I1698-F1700 HydrophobicContact CG2-CG 4.19Å; I1698-F1700 HydrophobicContact CG2-CZ 3.71Å; F1700-I1788 HydrophobicContact CD1-CB 3.99Å; F1700-I1788 HydrophobicContact CD1-CG2 4.04Å; F1700-I1788 HydrophobicContact CE1-CB 4.26Å; F1700-I1788 HydrophobicContact CE1-CD1 4.04Å; F1700-I1788 HydrophobicContact CE1-CG2 4.3Å; F1700-L1845 HydrophobicContact CE1-CD2 3.67Å; F1700-L1845 HydrophobicContact CZ-CD2 3.5Å |
| 1701 | H | 97.8 | Very high | 92 | Very high | 3 Ų | 3 | 27.7 Ų | 27.7 | 1% | 0.014 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 171.5 | -164.2 | -79.2 | -76.9 | 0 | 0 | 0 | 114.4 | V1602 H1603 E1606 N1663 D1699 T1787 I1788 E1789 A1790 | V1602-H1701 WeakPolarHBondContact CG1-CE1 3.5Å; H1603-H1701 AromaticContact CE1-CE1 3.12Å; H1603-H1701 PolarHBondContact CE1-CE1 3.21Å; H1603-H1701 AromaticContact CE1-ND1 3.39Å; H1603-H1701 PolarHBondContact CE1-ND1 3.34Å; H1603-H1701 AromaticContact ND1-CE1 3.36Å; H1603-H1701 PolarHBondContact ND1-CE1 2.74Å; H1603-H1701 AromaticContact ND1-ND1 3.22Å; H1603-H1701 PolarHBondContact ND1-ND1 3.05Å; H1603-H1701 AromaticContact NE2-CE1 3.91Å; E1606-H1701 WeakPolarHBondContact OE2-CA 3.33Å; E1606-H1701 IonicContact OE2-CE1 3.41Å; E1606-H1701 IonicContact OE2-CG 3.46Å; E1606-H1701 IonicContact OE2-ND1 3.96Å; E1606-H1701 PolarHBondContact OE2-ND1 2.89Å; N1663-H1701 PolarHBondContact ND2-CE1 3.16Å; N1663-H1701 VanDerWaalsContact ND2-CE1 3.33Å; N1663-H1701 PolarHBondContact ND2-NE2 3.22Å; D1699-H1701 IonicContact OD2-NE2 2.67Å; D1699-H1701 PolarHBondContact OD2-NE2 3.49Å; H1701-T1787 HydrophobicContact CB-CG2 4.5Å; H1701-I1788 WeakPolarHBondContact CB-O 3.05Å; H1701-I1788 PolarHBondContact N-O 3.1Å; H1701-E1789 VanDerWaalsContact CB-CD 3.49Å; H1701-E1789 HydrophobicContact CB-CG 4.38Å; H1701-E1789 WeakPolarHBondContact CB-OE2 3.23Å; H1701-A1790 PolarHBondContact O-N 3.28Å; H1701-A1790 VanDerWaalsContact O-N 3.08Å |
| 1702 | G | 93.9 | Very high | 92.5 | Very high | 6 Ų | 6 | 19.4 Ų | 19.4 | 6% | 0.062 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 124 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | E1606 N1608 E1789 A1790 | E1606-G1702 PolarHBondContact OE2-N 3.14Å; N1608-G1702 WeakPolarHBondContact OD1-CA 3.32Å; G1702-E1789 PolarHBondContact N-OE2 2.73Å; G1702-A1790 CarbonylContact C-O 3.51Å; G1702-A1790 VanDerWaalsContact CA-O 3.31Å; G1702-A1790 WeakPolarHBondContact CA-O 3.46Å |
| 1703 | H | 91.5 | Very high | 93.1 | Very high | 8 Ų | 8 | 17.5 Ų | 17.5 | 4% | 0.037 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 128.7 | -165.1 | -160.8 | -94.4 | 0 | 0 | 0 | 115.1 | Q1458 M1706 F1710 E1789 A1790 Y1792 | Q1458-H1703 PolarHBondContact NE2-O 3.09Å; H1703-M1706 WeakPolarHBondContact ND1-CB 3.07Å; H1703-M1706 PolarHBondContact ND1-N 2.72Å; H1703-F1710 HydrophobicContact CB-CZ 4.18Å; H1703-F1710 AromaticContact CD2-CZ 3.97Å; H1703-F1710 AromaticContact CG-CZ 3.74Å; H1703-F1710 AromaticContact ND1-CZ 3.89Å; H1703-E1789 HydrophobicContact CB-CB 4.2Å; H1703-E1789 WeakPolarHBondContact CB-OE2 3.47Å; H1703-E1789 IonicContact CD2-OE2 3.45Å; H1703-E1789 PolarHBondContact N-OE2 2.81Å; H1703-A1790 PolarHBondContact N-O 2.98Å; H1703-Y1792 WeakPolarHBondContact O-CD2 3.23Å |
| 1704 | S | 85.2 | Confident | 93.4 | Very high | 13 Ų | 13 | 15.5 Ų | 15.5 | 9% | 0.091 | 7% | 0.07 | C | C | . | . | S | Bend | trans | -85.8 | -18.3 | -166 | 48.8 | 0 | 0 | 0 | 0 | 118.3 | E997 K1454 Q1458 | E997-S1704 PolarHBondContact OE1-OG 3.26Å; K1454-S1704 PolarHBondContact NZ-OG 3.31Å; Q1458-S1704 VanDerWaalsContact CD-C 3.46Å; Q1458-S1704 WeakPolarHBondContact CG-O 3.41Å; Q1458-S1704 VanDerWaalsContact NE2-C 3.29Å; Q1458-S1704 PolarHBondContact NE2-O 3.1Å |
| 1705 | R | 81.1 | Confident | 93.3 | Very high | 99 Ų | 99 | 15.2 Ų | 15.2 | 37% | 0.374 | 7% | 0.068 | S | C | . | . | S | Bend | trans | -119.9 | -54.6 | 175.8 | -81.2 | 166.2 | 67.9 | -130.5 | 5.2 | 114.1 | E997 D1456 Q1458 | E997-R1705 HydrophobicContact CG-CB 3.97Å; E997-R1705 WeakPolarHBondContact OE1-CB 3.4Å; E997-R1705 PolarHBondContact OE1-N 2.98Å; E997-R1705 VanDerWaalsContact OE2-CD 3.29Å; E997-R1705 WeakPolarHBondContact OE2-CD 3.43Å; E997-R1705 IonicContact OE2-CZ 3.39Å; E997-R1705 IonicContact OE2-NE 3.48Å; E997-R1705 IonicContact OE2-NH1 2.67Å; E997-R1705 PolarHBondContact OE2-NH1 2.78Å; D1456-R1705 IonicContact OD2-CZ 2.68Å; D1456-R1705 IonicContact OD2-NE 2.91Å; D1456-R1705 PolarHBondContact OD2-NE 3.39Å; D1456-R1705 IonicContact OD2-NH2 3.27Å; Q1458-R1705 WeakPolarHBondContact CG-O 3.49Å; Q1458-R1705 PolarHBondContact NE2-O 2.74Å |
| 1706 | M | 87.3 | Confident | 93 | Very high | 66 Ų | 66 | 13.2 Ų | 13.2 | 33% | 0.325 | 6% | 0.061 | S | C | . | . | trans | -61.7 | 146.5 | 179.9 | -63.1 | 167.8 | 68.8 | 0 | 0 | 113.9 | Q1458 H1703 F1710 S1791 | Q1458-M1706 PolarHBondContact NE2-O 2.71Å; H1703-M1706 WeakPolarHBondContact ND1-CB 3.07Å; H1703-M1706 PolarHBondContact ND1-N 2.72Å; M1706-F1710 HydrophobicContact CB-CE1 3.78Å; M1706-F1710 HydrophobicContact CB-CZ 3.91Å; M1706-F1710 HydrophobicContact CE-CE1 4.12Å; M1706-F1710 HydrophobicContact CE-CE2 4.16Å; M1706-F1710 HydrophobicContact CE-CZ 3.91Å; M1706-F1710 HydrophobicContact CG-CZ 4.48Å; M1706-F1710 HydrophobicContact SD-CE1 4.43Å; M1706-F1710 HydrophobicContact SD-CE2 4.26Å; M1706-F1710 HydrophobicContact SD-CZ 3.83Å; M1706-S1791 WeakPolarHBondContact O-CB 3.33Å; M1706-S1791 PolarHBondContact O-OG 2.73Å | ||
| 1707 | K | 89.4 | Confident | 92.5 | Very high | 48 Ų | 48 | 18.2 Ų | 18.2 | 21% | 0.209 | 9% | 0.087 | C | C | . | . | trans | -88.8 | 172.8 | 172.1 | -66.2 | -169.3 | 179.1 | -166.6 | 0 | 110.6 | F1138 A1461 G1794 H1796 | F1138-K1707 VanDerWaalsContact CD1-NZ 3.27Å; F1138-K1707 HydrophobicContact CE1-CD 4.02Å; F1138-K1707 HydrophobicContact CE2-CD 4.4Å; F1138-K1707 HydrophobicContact CZ-CD 3.73Å; F1138-K1707 VanDerWaalsContact CZ-NZ 3.35Å; A1461-K1707 VanDerWaalsContact O-CE 3.3Å; A1461-K1707 WeakPolarHBondContact O-CE 3.3Å; A1461-K1707 PolarHBondContact O-NZ 3.15Å; K1707-G1794 WeakPolarHBondContact CB-O 3.29Å; K1707-H1796 HydrophobicContact CB-CB 4.42Å; K1707-H1796 HydrophobicContact CD-CB 3.89Å | ||
| 1708 | N | 93 | Very high | 92 | Very high | 12 Ų | 12 | 21.7 Ų | 21.7 | 6% | 0.064 | 10% | 0.103 | C | C | . | . | S | Bend | trans | 68.1 | -176.3 | -176.4 | -52.6 | -36.4 | 0 | 0 | 0 | 113.9 | S1791 G1794 I1795 H1796 | N1708-S1791 WeakPolarHBondContact O-CB 3.31Å; N1708-S1791 PolarHBondContact O-N 3Å; N1708-G1794 PolarHBondContact N-O 3.37Å; N1708-I1795 WeakPolarHBondContact OD1-CA 3.4Å; N1708-H1796 PolarHBondContact ND2-O 3.38Å; N1708-H1796 PolarHBondContact OD1-N 3.43Å; N1708-H1796 PolarHBondContact OD1-O 3.07Å |
| 1709 | I | 95.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 142.3 | 168.1 | -53.7 | 177.9 | 0 | 0 | 0 | 107.7 | Y1754 F1755 S1756 I1788 E1789 A1790 L1838 F1841 | I1709-Y1754 PolarHBondContact N-O 3.02Å; I1709-F1755 CarbonylContact O-C 3.42Å; I1709-F1755 VanDerWaalsContact O-CA 3.22Å; I1709-F1755 WeakPolarHBondContact O-CA 3.19Å; I1709-S1756 PolarHBondContact O-N 3.09Å; I1709-I1788 HydrophobicContact CG2-CG2 3.85Å; I1709-E1789 CarbonylContact C-O 3.48Å; I1709-E1789 VanDerWaalsContact CA-O 3.32Å; I1709-E1789 WeakPolarHBondContact CA-O 3.48Å; I1709-E1789 WeakPolarHBondContact CG2-O 3.35Å; I1709-A1790 HydrophobicContact CD1-CB 4.42Å; I1709-A1790 HydrophobicContact CG1-CB 4Å; I1709-A1790 HydrophobicContact CG2-CB 4.38Å; I1709-L1838 HydrophobicContact CD1-CD2 4.31Å; I1709-F1841 HydrophobicContact CB-CE2 4.44Å; I1709-F1841 HydrophobicContact CD1-CB 3.74Å; I1709-F1841 HydrophobicContact CD1-CD1 3.94Å; I1709-F1841 HydrophobicContact CD1-CD2 3.89Å; I1709-F1841 HydrophobicContact CD1-CG 3.55Å; I1709-F1841 HydrophobicContact CG2-CD1 4.22Å; I1709-F1841 HydrophobicContact CG2-CD2 4.32Å; I1709-F1841 HydrophobicContact CG2-CE1 3.85Å; I1709-F1841 HydrophobicContact CG2-CE2 3.95Å; I1709-F1841 HydrophobicContact CG2-CG 4.45Å; I1709-F1841 HydrophobicContact CG2-CZ 3.7Å |
| 1710 | F | 96 | Very high | 91.1 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 175.7 | -179.5 | 52.1 | -86.5 | 0 | 0 | 0 | 111 | H1703 M1706 Y1712 S1759 I1788 E1789 | H1703-F1710 HydrophobicContact CB-CZ 4.18Å; H1703-F1710 AromaticContact CD2-CZ 3.97Å; H1703-F1710 AromaticContact CG-CZ 3.74Å; H1703-F1710 AromaticContact ND1-CZ 3.89Å; M1706-F1710 HydrophobicContact CB-CE1 3.78Å; M1706-F1710 HydrophobicContact CB-CZ 3.91Å; M1706-F1710 HydrophobicContact CE-CE1 4.12Å; M1706-F1710 HydrophobicContact CE-CE2 4.16Å; M1706-F1710 HydrophobicContact CE-CZ 3.91Å; M1706-F1710 HydrophobicContact CG-CZ 4.48Å; M1706-F1710 HydrophobicContact SD-CE1 4.43Å; M1706-F1710 HydrophobicContact SD-CE2 4.26Å; M1706-F1710 HydrophobicContact SD-CZ 3.83Å; F1710-Y1712 HydrophobicContact CD2-CE1 4Å; F1710-Y1712 AromaticContact CE2-CE1 3.76Å; F1710-Y1712 HydrophobicContact CE2-CE1 3.76Å; F1710-Y1712 AromaticContact CE2-CZ 3.75Å; F1710-S1759 WeakPolarHBondContact CD2-O 3.28Å; F1710-I1788 WeakPolarHBondContact O-CA 2.86Å; F1710-E1789 HydrophobicContact CD2-CB 3.98Å; F1710-E1789 HydrophobicContact CE1-CB 4.27Å; F1710-E1789 HydrophobicContact CE2-CB 3.58Å; F1710-E1789 HydrophobicContact CE2-CG 4.07Å; F1710-E1789 HydrophobicContact CG-CB 4.48Å; F1710-E1789 HydrophobicContact CZ-CB 3.74Å; F1710-E1789 HydrophobicContact CZ-CG 4.46Å; F1710-E1789 PolarHBondContact N-O 2.93Å; F1710-E1789 PolarHBondContact O-N 3.41Å |
| 1711 | L | 96.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 150.9 | 179.7 | 75.9 | 77.8 | 0 | 0 | 0 | 113.5 | L1744 A1745 L1748 F1755 C1760 L1761 Y1762 Y1786 T1787 I1788 | L1711-L1744 HydrophobicContact CD2-CD2 4.47Å; L1711-L1744 HydrophobicContact CD2-CG 4.48Å; L1711-A1745 HydrophobicContact CD2-CB 4.06Å; L1711-A1745 HydrophobicContact CG-CB 4.31Å; L1711-L1748 HydrophobicContact CD2-CD1 4.37Å; L1711-F1755 HydrophobicContact CB-CE2 4.31Å; L1711-F1755 HydrophobicContact CB-CZ 4.47Å; L1711-F1755 HydrophobicContact CD2-CE2 4.19Å; L1711-F1755 HydrophobicContact CD2-CZ 3.92Å; L1711-F1755 HydrophobicContact CG-CE2 4.29Å; L1711-F1755 HydrophobicContact CG-CZ 3.98Å; L1711-C1760 PolarHBondContact N-SG 2.55Å; L1711-C1760 WeakPolarHBondContact O-CA 3.27Å; L1711-C1760 VanDerWaalsContact O-CB 3.23Å; L1711-C1760 WeakPolarHBondContact O-CB 3.37Å; L1711-L1761 PolarHBondContact O-N 3.4Å; L1711-Y1762 HydrophobicContact CD1-CE1 4.05Å; L1711-Y1786 HydrophobicContact CD1-CD1 3.83Å; L1711-Y1786 HydrophobicContact CD1-CE1 4.25Å; L1711-T1787 CarbonylContact C-O 3.56Å; L1711-T1787 VanDerWaalsContact CA-O 3.24Å; L1711-T1787 WeakPolarHBondContact CA-O 3.39Å; L1711-I1788 HydrophobicContact CB-CG1 3.91Å |
| 1712 | Y | 95.4 | Very high | 89.7 | Confident | 16 Ų | 16 | 35.7 Ų | 35.7 | 6% | 0.063 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 134.7 | 163.6 | -52.1 | -42.5 | 0 | 0 | 0 | 109.4 | F1710 L1761 R1773 Y1786 T1787 E1789 | F1710-Y1712 HydrophobicContact CD2-CE1 4Å; F1710-Y1712 AromaticContact CE2-CE1 3.76Å; F1710-Y1712 HydrophobicContact CE2-CE1 3.76Å; F1710-Y1712 AromaticContact CE2-CZ 3.75Å; Y1712-L1761 CarbonylContact C-O 3.4Å; Y1712-L1761 WeakPolarHBondContact CA-O 3.45Å; Y1712-L1761 HydrophobicContact CD1-CB 3.74Å; Y1712-L1761 HydrophobicContact CD1-CD1 4.25Å; Y1712-L1761 HydrophobicContact CD1-CG 4.15Å; Y1712-L1761 HydrophobicContact CE1-CB 4.1Å; Y1712-L1761 HydrophobicContact CE1-CD1 3.75Å; Y1712-L1761 HydrophobicContact CE1-CG 3.99Å; Y1712-R1773 WeakPolarHBondContact O-CD 3.37Å; Y1712-Y1786 VanDerWaalsContact O-CA 3.27Å; Y1712-Y1786 WeakPolarHBondContact O-CA 3.17Å; Y1712-T1787 HydrophobicContact CD2-CG2 3.97Å; Y1712-T1787 PolarHBondContact N-O 3.2Å; Y1712-T1787 PolarHBondContact O-N 3.3Å; Y1712-E1789 HydrophobicContact CD2-CG 4.23Å; Y1712-E1789 HydrophobicContact CE2-CG 3.76Å |
| 1713 | G | 93.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -124.1 | -172.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1761 Y1762 R1773 | G1713-L1761 PolarHBondContact N-O 2.9Å; G1713-Y1762 CarbonylContact O-C 3.55Å; G1713-Y1762 WeakPolarHBondContact O-CA 3Å; G1713-R1773 PolarHBondContact O-NH1 3.22Å | ||
| 1714 | C | 92.4 | Very high | 88.9 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.007 | 19% | 0.193 | C | C | . | . | trans | -120.8 | 113.5 | 178.9 | -67 | 0 | 0 | 0 | 0 | 111.6 | V1764 R1773 W1777 | C1714-V1764 HydrophobicContact CB-CG2 3.86Å; C1714-R1773 VanDerWaalsContact SG-CG 3.51Å; C1714-W1777 HydrophobicContact CB-CB 4.39Å; C1714-W1777 HydrophobicContact CB-CD2 3.38Å; C1714-W1777 VanDerWaalsContact CB-CE2 3.45Å; C1714-W1777 HydrophobicContact CB-CE3 3.78Å; C1714-W1777 HydrophobicContact CB-CG 3.66Å; C1714-W1777 HydrophobicContact CB-CH2 4.32Å; C1714-W1777 HydrophobicContact CB-CZ2 3.94Å; C1714-W1777 HydrophobicContact CB-CZ3 4.25Å | ||
| 1715 | S | 90 | Very high | 88.7 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -91.5 | 138.9 | 162.1 | 168.1 | 0 | 0 | 0 | 0 | 110.4 | I1717 E1718 E1737 Y1741 Y1762 | S1715-I1717 PolarHBondContact OG-N 3.07Å; S1715-I1717 VanDerWaalsContact OG-N 3.14Å; S1715-E1718 PolarHBondContact OG-N 2.96Å; S1715-E1737 PolarHBondContact OG-OE1 3.13Å; S1715-E1737 PolarHBondContact OG-OE2 3.47Å; S1715-Y1741 WeakPolarHBondContact CB-OH 3.41Å; S1715-Y1741 PolarHBondContact OG-OH 3.24Å; S1715-Y1762 PolarHBondContact N-O 3.48Å | ||
| 1716 | S | 85.4 | Confident | 88.4 | Confident | 5 Ų | 5 | 43.7 Ų | 43.7 | 4% | 0.035 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -69.4 | -36.3 | 170.7 | 67.6 | 0 | 0 | 0 | 0 | 111.9 | S1719 I1725 E1737 | S1716-S1719 WeakPolarHBondContact O-CB 3.35Å; S1716-I1725 VanDerWaalsContact O-CG1 3.27Å; S1716-I1725 WeakPolarHBondContact O-CG1 3.07Å; S1716-E1737 WeakPolarHBondContact CA-OE1 3.43Å; S1716-E1737 WeakPolarHBondContact CB-OE1 3.45Å; S1716-E1737 PolarHBondContact N-OE1 2.79Å; S1716-E1737 PolarHBondContact OG-OE1 3.45Å |
| 1717 | I | 85.8 | Confident | 87.7 | Confident | 106 Ų | 106 | 42.3 Ų | 42.3 | 54% | 0.544 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -36.8 | -179.3 | -62.3 | 177.1 | 0 | 0 | 0 | 111.3 | S1715 S1719 E1737 | S1715-I1717 PolarHBondContact OG-N 3.07Å; S1715-I1717 VanDerWaalsContact OG-N 3.14Å; I1717-S1719 PolarHBondContact O-N 2.67Å; I1717-E1737 HydrophobicContact CD1-CB 3.66Å; I1717-E1737 HydrophobicContact CD1-CG 4.47Å; I1717-E1737 HydrophobicContact CG1-CB 4.17Å; I1717-E1737 PolarHBondContact N-OE1 3.5Å |
| 1718 | E | 86.7 | Confident | 86.7 | Confident | 73 Ų | 73 | 45.1 Ų | 45.1 | 34% | 0.341 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | 17.8 | 174.6 | -52.2 | 172.3 | -159.4 | 0 | 0 | 113 | S1715 R1742 Y1762 M1763 V1764 | S1715-E1718 PolarHBondContact OG-N 2.96Å; E1718-R1742 IonicContact OE1-CZ 3.56Å; E1718-R1742 IonicContact OE1-NH1 3.49Å; E1718-R1742 PolarHBondContact OE1-NH1 3.44Å; E1718-R1742 IonicContact OE1-NH2 2.7Å; E1718-R1742 PolarHBondContact OE1-NH2 2.79Å; E1718-Y1762 WeakPolarHBondContact OE2-CB 3.35Å; E1718-M1763 HydrophobicContact CB-CB 4.47Å; E1718-M1763 HydrophobicContact CB-CG 4.45Å; E1718-M1763 WeakPolarHBondContact O-CG 3.23Å; E1718-M1763 PolarHBondContact OE2-N 3.42Å; E1718-M1763 VanDerWaalsContact OE2-N 3.07Å; E1718-V1764 PolarHBondContact O-N 3.09Å |
| 1719 | S | 88.1 | Confident | 85.5 | Confident | 15 Ų | 15 | 46.4 Ų | 46.4 | 11% | 0.105 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | -88.5 | 137.4 | 176.6 | -175.7 | 0 | 0 | 0 | 0 | 113.4 | S1716 I1717 L1721 D1724 R1778 | S1716-S1719 WeakPolarHBondContact O-CB 3.35Å; I1717-S1719 PolarHBondContact O-N 2.67Å; S1719-L1721 PolarHBondContact O-N 2.87Å; S1719-L1721 PolarHBondContact OG-N 3.41Å; S1719-L1721 VanDerWaalsContact OG-N 3.14Å; S1719-D1724 WeakPolarHBondContact CB-OD2 3.18Å; S1719-D1724 PolarHBondContact OG-OD2 3.48Å; S1719-R1778 PolarHBondContact OG-NH2 3.03Å |
| 1720 | W | 88.9 | Confident | 84.4 | Confident | 111 Ų | 111 | 46.6 Ų | 46.6 | 42% | 0.42 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -64.8 | -21.8 | 170.7 | 86.3 | -88.9 | 0 | 0 | 0 | 113 | V1764 S1765 K1766 E1769 | W1720-V1764 VanDerWaalsContact CD1-O 3.3Å; W1720-V1764 PolarHBondContact N-O 3.17Å; W1720-S1765 VanDerWaalsContact CD1-C 3.49Å; W1720-K1766 HydrophobicContact CD2-CB 3.83Å; W1720-K1766 HydrophobicContact CD2-CD 4.44Å; W1720-K1766 HydrophobicContact CD2-CG 4.23Å; W1720-K1766 HydrophobicContact CE3-CB 4.43Å; W1720-K1766 HydrophobicContact CE3-CD 4.4Å; W1720-K1766 HydrophobicContact CG-CB 4.03Å; W1720-K1766 HydrophobicContact CH2-CD 3.67Å; W1720-K1766 HydrophobicContact CH2-CG 4.22Å; W1720-K1766 HydrophobicContact CZ2-CB 4.22Å; W1720-K1766 HydrophobicContact CZ2-CD 3.66Å; W1720-K1766 HydrophobicContact CZ2-CG 3.69Å; W1720-K1766 HydrophobicContact CZ3-CD 4.05Å; W1720-E1769 WeakPolarHBondContact CZ2-OE2 3.38Å |
| 1721 | L | 86 | Confident | 82.8 | Confident | 49 Ų | 49 | 48.8 Ų | 48.8 | 26% | 0.257 | 26% | 0.259 | S | S | . | . | trans | -97.5 | 100.6 | -179.7 | -95.5 | 163 | 0 | 0 | 0 | 110.7 | S1719 P1723 D1724 | S1719-L1721 PolarHBondContact O-N 2.87Å; S1719-L1721 PolarHBondContact OG-N 3.41Å; S1719-L1721 VanDerWaalsContact OG-N 3.14Å; L1721-P1723 HydrophobicContact CD2-CG 4.46Å; L1721-P1723 WeakPolarHBondContact O-CD 3.28Å; L1721-P1723 VanDerWaalsContact O-N 3.08Å; L1721-D1724 WeakPolarHBondContact O-CB 3.33Å; L1721-D1724 PolarHBondContact O-N 3.31Å | ||
| 1722 | H | 81.5 | Confident | 81.1 | Confident | 122 Ų | 122 | 50 Ų | 50 | 57% | 0.565 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -48.9 | -31.6 | 176.3 | -166.5 | -42.7 | 0 | 0 | 0 | 115.4 | D1724 I1725 H1726 | H1722-D1724 PolarHBondContact O-N 3.1Å; H1722-I1725 WeakPolarHBondContact O-CB 3.21Å; H1722-I1725 PolarHBondContact O-N 3.26Å; H1722-H1726 AromaticContact CE1-NE2 3.52Å; H1722-H1726 AromaticContact ND1-NE2 3.84Å |
| 1723 | P | 84.3 | Confident | 79.5 | Confident | 86 Ų | 86 | 57.7 Ų | 57.7 | 56% | 0.558 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -59.7 | -28.9 | 173.4 | -27.1 | 37.4 | 0 | 0 | 0 | 114.7 | L1721 I1725 H1726 N1727 | L1721-P1723 HydrophobicContact CD2-CG 4.46Å; L1721-P1723 WeakPolarHBondContact O-CD 3.28Å; L1721-P1723 VanDerWaalsContact O-N 3.08Å; P1723-I1725 VanDerWaalsContact C-N 3.25Å; P1723-I1725 PolarHBondContact O-N 3.04Å; P1723-H1726 CarbonylContact O-C 3.1Å; P1723-H1726 PolarHBondContact O-N 2.89Å; P1723-N1727 PolarHBondContact O-N 3.41Å |
| 1724 | D | 85.4 | Confident | 77.7 | Confident | 17 Ų | 17 | 64 Ų | 64 | 9% | 0.091 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -63.7 | -32.7 | -178.5 | -62.1 | -16.6 | 0 | 0 | 0 | 111.7 | S1719 L1721 H1722 H1726 N1727 W1777 R1778 | S1719-D1724 WeakPolarHBondContact CB-OD2 3.18Å; S1719-D1724 PolarHBondContact OG-OD2 3.48Å; L1721-D1724 WeakPolarHBondContact O-CB 3.33Å; L1721-D1724 PolarHBondContact O-N 3.31Å; H1722-D1724 PolarHBondContact O-N 3.1Å; D1724-H1726 PolarHBondContact O-N 3.22Å; D1724-N1727 PolarHBondContact O-N 3.31Å; D1724-N1727 VanDerWaalsContact O-N 3.11Å; D1724-W1777 HydrophobicContact CB-CH2 3.92Å; D1724-W1777 HydrophobicContact CB-CZ3 4.46Å; D1724-R1778 IonicContact OD1-NE 2.71Å; D1724-R1778 PolarHBondContact OD1-NE 2.92Å; D1724-R1778 IonicContact OD2-CZ 2.65Å; D1724-R1778 VanDerWaalsContact OD2-CZ 3.3Å; D1724-R1778 IonicContact OD2-NE 3.61Å; D1724-R1778 PolarHBondContact OD2-NE 3.36Å; D1724-R1778 IonicContact OD2-NH2 4Å; D1724-R1778 PolarHBondContact OD2-NH2 2.89Å |
| 1725 | I | 80.8 | Confident | 76.2 | Confident | 60 Ų | 60 | 74.6 Ų | 74.6 | 31% | 0.308 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -61.5 | -14.1 | 174.3 | -51.2 | 169.4 | 0 | 0 | 0 | 111.6 | S1716 H1722 P1723 | S1716-I1725 VanDerWaalsContact O-CG1 3.27Å; S1716-I1725 WeakPolarHBondContact O-CG1 3.07Å; H1722-I1725 WeakPolarHBondContact O-CB 3.21Å; H1722-I1725 PolarHBondContact O-N 3.26Å; P1723-I1725 VanDerWaalsContact C-N 3.25Å; P1723-I1725 PolarHBondContact O-N 3.04Å |
| 1726 | H | 73.5 | Confident | 75.1 | Confident | 130 Ų | 130 | 80.5 Ų | 80.5 | 60% | 0.602 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -118.4 | 8.3 | -179.4 | -58.9 | -23.5 | 0 | 0 | 0 | 113 | H1722 P1723 D1724 P1728 | H1722-H1726 AromaticContact CE1-NE2 3.52Å; H1722-H1726 AromaticContact ND1-NE2 3.84Å; P1723-H1726 CarbonylContact O-C 3.1Å; P1723-H1726 PolarHBondContact O-N 2.89Å; D1724-H1726 PolarHBondContact O-N 3.22Å; H1726-P1728 VanDerWaalsContact O-CD 3.31Å; H1726-P1728 WeakPolarHBondContact O-CD 3.3Å |
| 1727 | N | 72.9 | Confident | 74.5 | Confident | 38 Ų | 38 | 81.2 Ų | 81.2 | 20% | 0.203 | 42% | 0.419 | C | S | . | . | trans | -72.9 | 116.7 | 170.4 | -173.8 | -7.1 | 0 | 0 | 0 | 109.2 | P1723 D1724 A1729 Y1730 C1731 N1781 | P1723-N1727 PolarHBondContact O-N 3.41Å; D1724-N1727 PolarHBondContact O-N 3.31Å; D1724-N1727 VanDerWaalsContact O-N 3.11Å; N1727-A1729 PolarHBondContact O-N 3.39Å; N1727-A1729 VanDerWaalsContact O-N 3.13Å; N1727-A1729 WeakPolarHBondContact OD1-CB 2.91Å; N1727-A1729 PolarHBondContact OD1-N 3.3Å; N1727-Y1730 HydrophobicContact CB-CD2 3.79Å; N1727-Y1730 HydrophobicContact CB-CE2 3.71Å; N1727-Y1730 WeakPolarHBondContact ND2-CE2 3.44Å; N1727-Y1730 PolarHBondContact ND2-OH 2.95Å; N1727-Y1730 PolarHBondContact O-N 3.37Å; N1727-C1731 PolarHBondContact O-SG 3.08Å; N1727-N1781 PolarHBondContact ND2-OD1 3.28Å | ||
| 1728 | P | 68.2 | Low | 73.9 | Confident | 106 Ų | 106 | 78.9 Ų | 78.9 | 69% | 0.688 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -61.7 | -20.1 | 178.7 | 26.4 | -35.7 | 0 | 0 | 0 | 113.3 | H1726 Y1730 C1731 | H1726-P1728 VanDerWaalsContact O-CD 3.31Å; H1726-P1728 WeakPolarHBondContact O-CD 3.3Å; P1728-Y1730 PolarHBondContact O-N 3.27Å; P1728-C1731 PolarHBondContact O-N 3.32Å |
| 1729 | A | 68.8 | Low | 73.8 | Confident | 39 Ų | 39 | 80.7 Ų | 80.7 | 32% | 0.322 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -64.9 | -16.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | N1727 N1781 | N1727-A1729 PolarHBondContact O-N 3.39Å; N1727-A1729 VanDerWaalsContact O-N 3.13Å; N1727-A1729 WeakPolarHBondContact OD1-CB 2.91Å; N1727-A1729 PolarHBondContact OD1-N 3.3Å; A1729-N1781 HydrophobicContact CB-CB 3.89Å; A1729-N1781 WeakPolarHBondContact CB-OD1 3.35Å |
| 1730 | Y | 71.5 | Confident | 73.7 | Confident | 5 Ų | 5 | 80.9 Ų | 80.9 | 2% | 0.02 | 42% | 0.417 | C | S | . | . | G | 310 helix | trans | -121.1 | 3.4 | 178.4 | -32.3 | -51.8 | 0 | 0 | 0 | 112.8 | N1727 P1728 D1738 W1777 R1778 L1783 | N1727-Y1730 HydrophobicContact CB-CD2 3.79Å; N1727-Y1730 HydrophobicContact CB-CE2 3.71Å; N1727-Y1730 WeakPolarHBondContact ND2-CE2 3.44Å; N1727-Y1730 PolarHBondContact ND2-OH 2.95Å; N1727-Y1730 PolarHBondContact O-N 3.37Å; P1728-Y1730 PolarHBondContact O-N 3.27Å; Y1730-D1738 PolarHBondContact O-N 3.03Å; Y1730-D1738 VanDerWaalsContact O-N 3.07Å; Y1730-W1777 HydrophobicContact CD1-CZ2 4.49Å; Y1730-W1777 AromaticContact CD1-NE1 3.43Å; Y1730-W1777 AromaticContact CD2-CE2 3.78Å; Y1730-W1777 HydrophobicContact CD2-CH2 4.27Å; Y1730-W1777 AromaticContact CD2-CZ2 3.43Å; Y1730-W1777 HydrophobicContact CD2-CZ2 3.43Å; Y1730-W1777 VanDerWaalsContact CD2-CZ2 3.43Å; Y1730-W1777 AromaticContact CD2-NE1 3.95Å; Y1730-W1777 AromaticContact CE1-CD1 3.57Å; Y1730-W1777 HydrophobicContact CE1-CD2 4.42Å; Y1730-W1777 AromaticContact CE1-CE2 3.8Å; Y1730-W1777 HydrophobicContact CE1-CG 4.29Å; Y1730-W1777 HydrophobicContact CE1-CZ2 4.44Å; Y1730-W1777 AromaticContact CE1-NE1 3.2Å; Y1730-W1777 HydrophobicContact CE2-CD2 4.13Å; Y1730-W1777 AromaticContact CE2-CE2 3.42Å; Y1730-W1777 VanDerWaalsContact CE2-CE2 3.42Å; Y1730-W1777 AromaticContact CE2-CH2 3.97Å; Y1730-W1777 HydrophobicContact CE2-CH2 3.97Å; Y1730-W1777 AromaticContact CE2-CZ2 3.33Å; Y1730-W1777 HydrophobicContact CE2-CZ2 3.33Å; Y1730-W1777 AromaticContact CE2-NE1 3.74Å; Y1730-W1777 HydrophobicContact CG-CZ2 4.04Å; Y1730-W1777 AromaticContact CG-NE1 3.82Å; Y1730-W1777 AromaticContact CZ-CD1 3.8Å; Y1730-W1777 AromaticContact CZ-CD2 3.89Å; Y1730-W1777 AromaticContact CZ-CE2 3.44Å; Y1730-W1777 VanDerWaalsContact CZ-CE2 3.44Å; Y1730-W1777 AromaticContact CZ-CZ2 3.9Å; Y1730-W1777 AromaticContact CZ-NE1 3.37Å; Y1730-W1777 VanDerWaalsContact OH-C 3.3Å; Y1730-W1777 PolarHBondContact OH-O 2.92Å; Y1730-R1778 WeakPolarHBondContact OH-CA 3.44Å; Y1730-L1783 HydrophobicContact CD1-CD1 3.88Å; Y1730-L1783 HydrophobicContact CG-CD1 4.47Å |
| 1731 | C | 63.6 | Low | 73.6 | Confident | 46 Ų | 46 | 75.7 Ų | 75.7 | 31% | 0.311 | 40% | 0.398 | S | S | . | . | B | Isolated β-bridge | trans | -91.9 | 117.9 | 175.9 | -66.1 | 0 | 0 | 0 | 0 | 109.5 | N1727 P1728 | N1727-C1731 PolarHBondContact O-SG 3.08Å; P1728-C1731 PolarHBondContact O-N 3.32Å |
| 1732 | G | 60.8 | Low | 73.9 | Confident | 26 Ų | 26 | 76.5 Ų | 76.5 | 27% | 0.268 | 40% | 0.397 | S | S | . | . | trans | -64.1 | 167.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | N1734 R1735 L1736 | G1732-N1734 PolarHBondContact O-N 3.11Å; G1732-R1735 PolarHBondContact O-N 2.84Å; G1732-L1736 PolarHBondContact N-O 2.8Å | ||
| 1733 | I | 60.4 | Low | 74.5 | Confident | 177 Ų | 177 | 72.6 Ų | 72.6 | 91% | 0.908 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.8 | -37 | -172.9 | -61.6 | 169.5 | 0 | 0 | 0 | 113.2 | R1735 | I1733-R1735 PolarHBondContact O-N 3.48Š|
| 1734 | N | 57.9 | Low | 74.9 | Confident | 132 Ų | 132 | 68.5 Ų | 68.5 | 71% | 0.706 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | 11.3 | -177.7 | -65.2 | -23.9 | 0 | 0 | 0 | 114.9 | G1732 L1736 | G1732-N1734 PolarHBondContact O-N 3.11Å; N1734-L1736 HydrophobicContact CB-CD1 4.37Å; N1734-L1736 HydrophobicContact CB-CG 4.37Å; N1734-L1736 PolarHBondContact O-N 3.02Å |
| 1735 | R | 60.8 | Low | 75.4 | Confident | 224 Ų | 224 | 67.7 Ų | 67.7 | 85% | 0.845 | 35% | 0.349 | S | S | * | . | S | Bend | trans | 57.9 | 24.6 | -169 | -53.9 | -177.6 | 178.8 | -172.6 | -1.2 | 114.5 | G1732 I1733 | G1732-R1735 PolarHBondContact O-N 2.84Å; I1733-R1735 PolarHBondContact O-N 3.48Å |
| 1736 | L | 66.6 | Low | 76 | Confident | 124 Ų | 124 | 66.9 Ų | 66.9 | 65% | 0.649 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -89.5 | 158.5 | 162.6 | -61.1 | 173 | 0 | 0 | 0 | 108.1 | G1732 N1734 D1738 | G1732-L1736 PolarHBondContact N-O 2.8Å; N1734-L1736 HydrophobicContact CB-CD1 4.37Å; N1734-L1736 HydrophobicContact CB-CG 4.37Å; N1734-L1736 PolarHBondContact O-N 3.02Å; L1736-D1738 PolarHBondContact O-N 3.4Å |
| 1737 | E | 71.4 | Confident | 76.9 | Confident | 20 Ų | 20 | 61.1 Ų | 61.1 | 9% | 0.093 | 32% | 0.319 | C | S | . | . | B | Isolated β-bridge | trans | -63.9 | 134.1 | 173.6 | 177.5 | 174.6 | -105.5 | 0 | 0 | 110.1 | S1715 S1716 I1717 H1739 Y1741 | S1715-E1737 PolarHBondContact OG-OE1 3.13Å; S1715-E1737 PolarHBondContact OG-OE2 3.47Å; S1716-E1737 WeakPolarHBondContact CA-OE1 3.43Å; S1716-E1737 WeakPolarHBondContact CB-OE1 3.45Å; S1716-E1737 PolarHBondContact N-OE1 2.79Å; S1716-E1737 PolarHBondContact OG-OE1 3.45Å; I1717-E1737 HydrophobicContact CD1-CB 3.66Å; I1717-E1737 HydrophobicContact CD1-CG 4.47Å; I1717-E1737 HydrophobicContact CG1-CB 4.17Å; I1717-E1737 PolarHBondContact N-OE1 3.5Å; E1737-H1739 PolarHBondContact O-N 3.09Å; E1737-H1739 IonicContact OE2-CE1 3.33Å; E1737-H1739 PolarHBondContact OE2-CE1 3.19Å; E1737-H1739 IonicContact OE2-ND1 3.33Å; E1737-H1739 PolarHBondContact OE2-ND1 2.97Å; E1737-Y1741 VanDerWaalsContact CD-OH 3.29Å; E1737-Y1741 HydrophobicContact CG-CE1 3.87Å; E1737-Y1741 PolarHBondContact OE2-OH 2.8Å |
| 1738 | D | 75 | Confident | 78 | Confident | 57 Ų | 57 | 59.3 Ų | 59.3 | 31% | 0.305 | 31% | 0.309 | S | S | . | . | trans | -74.3 | 111.6 | 169.8 | 177.7 | 16.7 | 0 | 0 | 0 | 109.7 | Y1730 L1736 S1740 Y1741 L1783 | Y1730-D1738 PolarHBondContact O-N 3.03Å; Y1730-D1738 VanDerWaalsContact O-N 3.07Å; L1736-D1738 PolarHBondContact O-N 3.4Å; D1738-S1740 VanDerWaalsContact CG-OG 3.31Å; D1738-S1740 PolarHBondContact O-N 2.74Å; D1738-S1740 VanDerWaalsContact OD1-CB 3.23Å; D1738-S1740 WeakPolarHBondContact OD1-CB 3.41Å; D1738-S1740 PolarHBondContact OD1-N 3.42Å; D1738-S1740 PolarHBondContact OD1-OG 3.38Å; D1738-S1740 WeakPolarHBondContact OD2-CB 3.35Å; D1738-S1740 PolarHBondContact OD2-OG 3.17Å; D1738-Y1741 WeakPolarHBondContact O-CD1 3.28Å; D1738-Y1741 WeakPolarHBondContact O-CE1 3.47Å; D1738-L1783 VanDerWaalsContact OD2-CD2 3.27Å; D1738-L1783 WeakPolarHBondContact OD2-CD2 3.09Å | ||
| 1739 | H | 84 | Confident | 79.1 | Confident | 111 Ų | 111 | 56 Ų | 56 | 51% | 0.514 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -79 | 5.4 | 178 | -62.9 | -38.6 | 0 | 0 | 0 | 114.3 | E1737 Y1741 R1742 | E1737-H1739 PolarHBondContact O-N 3.09Å; E1737-H1739 IonicContact OE2-CE1 3.33Å; E1737-H1739 PolarHBondContact OE2-CE1 3.19Å; E1737-H1739 IonicContact OE2-ND1 3.33Å; E1737-H1739 PolarHBondContact OE2-ND1 2.97Å; H1739-Y1741 PolarHBondContact O-N 3.37Å; H1739-R1742 PolarHBondContact O-N 2.96Å |
| 1740 | S | 85 | Confident | 80.2 | Confident | 18 Ų | 18 | 59.5 Ų | 59.5 | 13% | 0.126 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -65.7 | -4.1 | 179.4 | 83.4 | 0 | 0 | 0 | 0 | 115.2 | D1738 L1783 R1784 | D1738-S1740 VanDerWaalsContact CG-OG 3.31Å; D1738-S1740 PolarHBondContact O-N 2.74Å; D1738-S1740 VanDerWaalsContact OD1-CB 3.23Å; D1738-S1740 WeakPolarHBondContact OD1-CB 3.41Å; D1738-S1740 PolarHBondContact OD1-N 3.42Å; D1738-S1740 PolarHBondContact OD1-OG 3.38Å; D1738-S1740 WeakPolarHBondContact OD2-CB 3.35Å; D1738-S1740 PolarHBondContact OD2-OG 3.17Å; S1740-L1783 WeakPolarHBondContact OG-CD2 3.24Å; S1740-R1784 PolarHBondContact O-NE 2.9Å; S1740-R1784 PolarHBondContact OG-NH2 3.25Å |
| 1741 | Y | 88.5 | Confident | 81.1 | Confident | 3 Ų | 3 | 62 Ų | 62 | 1% | 0.012 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -81.2 | -9.2 | 165.3 | 70.9 | -97.8 | 0 | 0 | 0 | 114.1 | S1715 E1737 D1738 H1739 Y1762 L1783 Y1786 | S1715-Y1741 WeakPolarHBondContact CB-OH 3.41Å; S1715-Y1741 PolarHBondContact OG-OH 3.24Å; E1737-Y1741 VanDerWaalsContact CD-OH 3.29Å; E1737-Y1741 HydrophobicContact CG-CE1 3.87Å; E1737-Y1741 PolarHBondContact OE2-OH 2.8Å; D1738-Y1741 WeakPolarHBondContact O-CD1 3.28Å; D1738-Y1741 WeakPolarHBondContact O-CE1 3.47Å; H1739-Y1741 PolarHBondContact O-N 3.37Å; Y1741-Y1762 AromaticContact CD2-CD1 3.46Å; Y1741-Y1762 HydrophobicContact CD2-CD1 3.46Å; Y1741-Y1762 VanDerWaalsContact CD2-CD1 3.46Å; Y1741-Y1762 AromaticContact CD2-CE1 3.75Å; Y1741-Y1762 HydrophobicContact CD2-CE1 3.75Å; Y1741-Y1762 HydrophobicContact CD2-CG 4.41Å; Y1741-Y1762 AromaticContact CE2-CD1 3.4Å; Y1741-Y1762 HydrophobicContact CE2-CD1 3.4Å; Y1741-Y1762 AromaticContact CE2-CE1 3.99Å; Y1741-Y1762 HydrophobicContact CE2-CE1 3.99Å; Y1741-Y1762 AromaticContact CE2-CG 3.91Å; Y1741-Y1762 HydrophobicContact CE2-CG 3.91Å; Y1741-L1783 HydrophobicContact CD1-CD1 4.4Å; Y1741-Y1786 WeakPolarHBondContact CA-OH 3.24Å; Y1741-Y1786 VanDerWaalsContact O-CE1 3.25Å; Y1741-Y1786 WeakPolarHBondContact O-CE1 3.37Å; Y1741-Y1786 PolarHBondContact O-OH 2.67Å |
| 1742 | R | 92.2 | Very high | 82.4 | Confident | 66 Ų | 66 | 59.8 Ų | 59.8 | 25% | 0.249 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -28.2 | 173.9 | -58.2 | -164.1 | -172.9 | -123.2 | 1.8 | 112.4 | E1718 H1739 L1744 A1745 D1746 Y1762 | E1718-R1742 IonicContact OE1-CZ 3.56Å; E1718-R1742 IonicContact OE1-NH1 3.49Å; E1718-R1742 PolarHBondContact OE1-NH1 3.44Å; E1718-R1742 IonicContact OE1-NH2 2.7Å; E1718-R1742 PolarHBondContact OE1-NH2 2.79Å; H1739-R1742 PolarHBondContact O-N 2.96Å; R1742-L1744 VanDerWaalsContact C-N 3.28Å; R1742-L1744 PolarHBondContact O-N 3.46Å; R1742-L1744 VanDerWaalsContact O-N 3.11Å; R1742-A1745 WeakPolarHBondContact O-CB 3.46Å; R1742-A1745 PolarHBondContact O-N 2.84Å; R1742-D1746 PolarHBondContact O-N 3.2Å; R1742-Y1762 HydrophobicContact CG-CD1 4.34Å; R1742-Y1762 HydrophobicContact CG-CE1 3.97Å; R1742-Y1762 HydrophobicContact CG-CE2 4.37Å |
| 1743 | L | 92.2 | Very high | 83.8 | Confident | 39 Ų | 39 | 59.2 Ų | 59.2 | 20% | 0.204 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -54.6 | -35.3 | -170.6 | -163.1 | 57.7 | 0 | 0 | 0 | 114.5 | A1745 D1746 I1747 L1852 E1855 | L1743-A1745 VanDerWaalsContact C-N 3.31Å; L1743-A1745 PolarHBondContact O-N 2.9Å; L1743-D1746 WeakPolarHBondContact O-CB 3.49Å; L1743-D1746 PolarHBondContact O-N 2.98Å; L1743-D1746 VanDerWaalsContact O-N 3.15Å; L1743-I1747 HydrophobicContact CG-CD1 4.27Å; L1743-I1747 WeakPolarHBondContact O-CG1 3.45Å; L1743-I1747 PolarHBondContact O-N 3.34Å; L1743-L1852 HydrophobicContact CB-CD1 3.89Å; L1743-L1852 HydrophobicContact CD2-CD1 3.85Å; L1743-L1852 HydrophobicContact CG-CD1 3.88Å; L1743-E1855 VanDerWaalsContact CD1-OE2 3.3Å; L1743-E1855 WeakPolarHBondContact CD1-OE2 3.4Å; L1743-E1855 HydrophobicContact CD2-CB 4.15Å; L1743-E1855 WeakPolarHBondContact CD2-OE2 3.46Å; L1743-E1855 WeakPolarHBondContact CG-OE2 3.42Å |
| 1744 | L | 94.5 | Very high | 85.3 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.7 | -37.1 | 174.8 | -178.4 | 61.5 | 0 | 0 | 0 | 112.5 | I1698 L1711 R1742 L1748 Y1786 L1845 A1848 F1849 L1852 | I1698-L1744 HydrophobicContact CD1-CD2 4.34Å; L1711-L1744 HydrophobicContact CD2-CD2 4.47Å; L1711-L1744 HydrophobicContact CD2-CG 4.48Å; R1742-L1744 VanDerWaalsContact C-N 3.28Å; R1742-L1744 PolarHBondContact O-N 3.46Å; R1742-L1744 VanDerWaalsContact O-N 3.11Å; L1744-L1748 HydrophobicContact CD1-CD1 4.13Å; L1744-L1748 HydrophobicContact CD1-CG 4.23Å; L1744-L1748 HydrophobicContact CG-CD1 3.9Å; L1744-L1748 HydrophobicContact CG-CG 4.44Å; L1744-L1748 WeakPolarHBondContact O-CB 3.4Å; L1744-L1748 WeakPolarHBondContact O-CG 3.35Å; L1744-L1748 PolarHBondContact O-N 3.24Å; L1744-Y1786 HydrophobicContact CB-CE2 4.23Å; L1744-Y1786 HydrophobicContact CD2-CD2 3.75Å; L1744-Y1786 HydrophobicContact CD2-CE2 3.42Å; L1744-Y1786 VanDerWaalsContact CD2-CE2 3.42Å; L1744-Y1786 HydrophobicContact CG-CE2 4.46Å; L1744-L1845 HydrophobicContact CD1-CD1 4.25Å; L1744-A1848 HydrophobicContact CD1-CB 3.82Å; L1744-F1849 HydrophobicContact CD1-CD1 4.14Å; L1744-F1849 HydrophobicContact CD1-CE1 4.27Å; L1744-F1849 HydrophobicContact CD2-CE1 4.22Å; L1744-L1852 HydrophobicContact CB-CD2 4.23Å; L1744-L1852 HydrophobicContact CD1-CD2 4.21Å |
| 1745 | A | 94.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -71.5 | -33.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1711 R1742 L1743 L1748 D1749 F1755 Y1762 | L1711-A1745 HydrophobicContact CD2-CB 4.06Å; L1711-A1745 HydrophobicContact CG-CB 4.31Å; R1742-A1745 WeakPolarHBondContact O-CB 3.46Å; R1742-A1745 PolarHBondContact O-N 2.84Å; L1743-A1745 VanDerWaalsContact C-N 3.31Å; L1743-A1745 PolarHBondContact O-N 2.9Å; A1745-L1748 PolarHBondContact O-N 3Å; A1745-D1749 WeakPolarHBondContact O-CB 3.44Å; A1745-D1749 PolarHBondContact O-N 2.82Å; A1745-F1755 HydrophobicContact CB-CE1 3.91Å; A1745-F1755 HydrophobicContact CB-CZ 3.85Å; A1745-F1755 WeakPolarHBondContact O-CE1 3.47Å; A1745-Y1762 VanDerWaalsContact CB-OH 3.24Å; A1745-Y1762 WeakPolarHBondContact CB-OH 3.31Å |
| 1746 | D | 93.3 | Very high | 88.6 | Confident | 44 Ų | 44 | 35 Ų | 35 | 24% | 0.235 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.4 | -39.7 | 176.6 | -61.1 | -45.6 | 0 | 0 | 0 | 111.8 | R1742 L1743 Q1750 K1757 | R1742-D1746 PolarHBondContact O-N 3.2Å; L1743-D1746 WeakPolarHBondContact O-CB 3.49Å; L1743-D1746 PolarHBondContact O-N 2.98Å; L1743-D1746 VanDerWaalsContact O-N 3.15Å; D1746-Q1750 WeakPolarHBondContact O-CG 3.37Å; D1746-Q1750 PolarHBondContact O-NE2 3.35Å; D1746-K1757 WeakPolarHBondContact OD1-CD 3.47Å; D1746-K1757 WeakPolarHBondContact OD1-CE 3.38Å; D1746-K1757 IonicContact OD1-NZ 2.62Å; D1746-K1757 PolarHBondContact OD1-NZ 3.19Å |
| 1747 | I | 94.1 | Very high | 89.8 | Confident | 8 Ų | 8 | 33.9 Ų | 33.9 | 4% | 0.041 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -70 | -46 | 173.9 | -63 | 162.3 | 0 | 0 | 0 | 110.7 | L1743 D1749 Q1750 L1751 A1848 L1851 L1852 | L1743-I1747 HydrophobicContact CG-CD1 4.27Å; L1743-I1747 WeakPolarHBondContact O-CG1 3.45Å; L1743-I1747 PolarHBondContact O-N 3.34Å; I1747-D1749 PolarHBondContact O-N 2.8Å; I1747-Q1750 PolarHBondContact O-N 3.49Å; I1747-L1751 HydrophobicContact CG2-CD1 3.69Å; I1747-L1751 HydrophobicContact CG2-CG 4.01Å; I1747-L1751 PolarHBondContact O-N 3.25Å; I1747-A1848 HydrophobicContact CG2-CB 3.74Å; I1747-L1851 HydrophobicContact CD1-CB 4.32Å; I1747-L1851 HydrophobicContact CG2-CB 4.21Å; I1747-L1851 HydrophobicContact CG2-CD1 4.06Å; I1747-L1852 HydrophobicContact CD1-CB 3.75Å; I1747-L1852 HydrophobicContact CD1-CD1 4.08Å |
| 1748 | L | 94.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65 | -34.3 | -179.1 | -76.1 | 170.1 | 0 | 0 | 0 | 113.4 | L1711 L1744 A1745 Q1750 S1752 F1755 F1841 L1845 A1848 | L1711-L1748 HydrophobicContact CD2-CD1 4.37Å; L1744-L1748 HydrophobicContact CD1-CD1 4.13Å; L1744-L1748 HydrophobicContact CD1-CG 4.23Å; L1744-L1748 HydrophobicContact CG-CD1 3.9Å; L1744-L1748 HydrophobicContact CG-CG 4.44Å; L1744-L1748 WeakPolarHBondContact O-CB 3.4Å; L1744-L1748 WeakPolarHBondContact O-CG 3.35Å; L1744-L1748 PolarHBondContact O-N 3.24Å; A1745-L1748 PolarHBondContact O-N 3Å; L1748-Q1750 PolarHBondContact O-N 3.43Å; L1748-S1752 VanDerWaalsContact O-CB 3.3Å; L1748-S1752 WeakPolarHBondContact O-CB 3.44Å; L1748-S1752 PolarHBondContact O-N 2.94Å; L1748-F1755 HydrophobicContact CB-CB 4.26Å; L1748-F1755 HydrophobicContact CB-CD1 3.61Å; L1748-F1755 HydrophobicContact CB-CD2 3.94Å; L1748-F1755 HydrophobicContact CB-CE1 3.79Å; L1748-F1755 HydrophobicContact CB-CE2 4.11Å; L1748-F1755 HydrophobicContact CB-CG 3.67Å; L1748-F1755 HydrophobicContact CB-CZ 4.03Å; L1748-F1755 HydrophobicContact CD1-CD2 4.04Å; L1748-F1755 HydrophobicContact CD1-CE2 3.74Å; L1748-F1755 HydrophobicContact CD1-CZ 4.08Å; L1748-F1841 HydrophobicContact CD1-CZ 4.43Å; L1748-F1841 HydrophobicContact CD2-CE2 4.1Å; L1748-F1841 HydrophobicContact CD2-CZ 4.39Å; L1748-L1845 HydrophobicContact CD1-CD1 3.92Å; L1748-L1845 HydrophobicContact CD2-CD1 3.93Å; L1748-L1845 HydrophobicContact CG-CD1 4.4Å; L1748-A1848 HydrophobicContact CD2-CB 3.71Å; L1748-A1848 HydrophobicContact CG-CB 4.03Å |
| 1749 | D | 92.6 | Very high | 91.5 | Very high | 38 Ų | 38 | 40.5 Ų | 40.5 | 20% | 0.203 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.7 | -30 | 176.8 | -151.4 | 66.3 | 0 | 0 | 0 | 112.1 | A1745 I1747 F1755 K1757 R1797 W1799 | A1745-D1749 WeakPolarHBondContact O-CB 3.44Å; A1745-D1749 PolarHBondContact O-N 2.82Å; I1747-D1749 PolarHBondContact O-N 2.8Å; D1749-F1755 HydrophobicContact CB-CD1 4.15Å; D1749-K1757 HydrophobicContact CB-CB 3.77Å; D1749-K1757 HydrophobicContact CB-CD 4.42Å; D1749-K1757 VanDerWaalsContact CG-CB 3.45Å; D1749-K1757 VanDerWaalsContact OD1-CB 3.26Å; D1749-K1757 WeakPolarHBondContact OD1-CB 3.45Å; D1749-K1757 PolarHBondContact OD1-N 3.23Å; D1749-R1797 PolarHBondContact O-NH1 2.79Å; D1749-R1797 PolarHBondContact O-NH2 3.47Å; D1749-R1797 IonicContact OD1-CZ 3.03Å; D1749-R1797 VanDerWaalsContact OD1-CZ 3.29Å; D1749-R1797 IonicContact OD1-NE 2.7Å; D1749-R1797 IonicContact OD1-NH1 3.29Å; D1749-R1797 IonicContact OD1-NH2 3.75Å; D1749-R1797 PolarHBondContact OD1-NH2 2.69Å; D1749-R1797 IonicContact OD2-CZ 3.3Å; D1749-R1797 IonicContact OD2-NH2 3.22Å; D1749-R1797 PolarHBondContact OD2-NH2 3.17Å; D1749-W1799 PolarHBondContact O-NE1 3.45Å |
| 1750 | Q | 90.5 | Very high | 92 | Very high | 111 Ų | 111 | 35.9 Ų | 35.9 | 52% | 0.519 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -82 | -45.7 | 175.3 | -67.1 | 174.5 | 80.5 | 0 | 0 | 112.4 | D1746 I1747 L1748 W1799 | D1746-Q1750 WeakPolarHBondContact O-CG 3.37Å; D1746-Q1750 PolarHBondContact O-NE2 3.35Å; I1747-Q1750 PolarHBondContact O-N 3.49Å; L1748-Q1750 PolarHBondContact O-N 3.43Å; Q1750-W1799 WeakPolarHBondContact O-CZ2 3.26Å |
| 1751 | L | 90.9 | Very high | 92.4 | Very high | 58 Ų | 58 | 37.9 Ų | 37.9 | 30% | 0.304 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -77.1 | -31.5 | -176.6 | -71 | -173.2 | 0 | 0 | 0 | 114.2 | I1747 N1847 A1848 L1851 | I1747-L1751 HydrophobicContact CG2-CD1 3.69Å; I1747-L1751 HydrophobicContact CG2-CG 4.01Å; I1747-L1751 PolarHBondContact O-N 3.25Å; L1751-N1847 HydrophobicContact CD1-CB 3.97Å; L1751-A1848 HydrophobicContact CD1-CB 3.99Å; L1751-L1851 HydrophobicContact CD1-CD1 4.04Å; L1751-L1851 HydrophobicContact CD2-CD1 4.12Å; L1751-L1851 HydrophobicContact CG-CD1 4.34Å |
| 1752 | S | 91.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -116.3 | 124.6 | -170.4 | -171.3 | 0 | 0 | 0 | 0 | 112.2 | L1748 Y1754 F1755 R1797 Q1844 | L1748-S1752 VanDerWaalsContact O-CB 3.3Å; L1748-S1752 WeakPolarHBondContact O-CB 3.44Å; L1748-S1752 PolarHBondContact O-N 2.94Å; S1752-Y1754 PolarHBondContact O-N 3.17Å; S1752-Y1754 WeakPolarHBondContact OG-CD2 3.28Å; S1752-Y1754 PolarHBondContact OG-N 3.4Å; S1752-F1755 PolarHBondContact OG-N 2.99Å; S1752-R1797 PolarHBondContact O-NH1 3.46Å; S1752-Q1844 PolarHBondContact OG-OE1 2.89Å | ||
| 1753 | P | 89.8 | Confident | 92.6 | Very high | 13 Ų | 13 | 38.9 Ų | 38.9 | 8% | 0.084 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -69.7 | -23.2 | 169.7 | 28.3 | -32.9 | 0 | 0 | 0 | 112.4 | W1799 I1829 | P1753-W1799 HydrophobicContact CB-CD2 4.02Å; P1753-W1799 HydrophobicContact CB-CE3 4.11Å; P1753-W1799 HydrophobicContact CB-CG 4.3Å; P1753-I1829 HydrophobicContact CB-CD1 3.44Å; P1753-I1829 VanDerWaalsContact CB-CD1 3.44Å; P1753-I1829 HydrophobicContact CG-CD1 4.39Å |
| 1754 | Y | 92.1 | Very high | 92.4 | Very high | 19 Ų | 19 | 37 Ų | 37 | 8% | 0.075 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -81.2 | -25.8 | -176.6 | -41 | -61.5 | 0 | 0 | 0 | 112.7 | I1709 S1752 I1795 D1837 N1840 F1841 | I1709-Y1754 PolarHBondContact N-O 3.02Å; S1752-Y1754 PolarHBondContact O-N 3.17Å; S1752-Y1754 WeakPolarHBondContact OG-CD2 3.28Å; S1752-Y1754 PolarHBondContact OG-N 3.4Å; Y1754-I1795 HydrophobicContact CD1-CD1 4.23Å; Y1754-I1795 HydrophobicContact CD1-CG1 4.05Å; Y1754-D1837 HydrophobicContact CD1-CB 4.23Å; Y1754-D1837 HydrophobicContact CE1-CB 3.97Å; Y1754-N1840 HydrophobicContact CE2-CB 3.71Å; Y1754-N1840 PolarHBondContact OH-ND2 3.09Å; Y1754-F1841 HydrophobicContact CD2-CB 4.08Å |
| 1755 | F | 94.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | B | Isolated β-bridge | trans | -74.3 | 159 | 178.3 | -167.4 | -102.5 | 0 | 0 | 0 | 112.2 | I1709 L1711 A1745 L1748 D1749 S1752 K1757 C1760 R1797 F1841 | I1709-F1755 CarbonylContact O-C 3.42Å; I1709-F1755 VanDerWaalsContact O-CA 3.22Å; I1709-F1755 WeakPolarHBondContact O-CA 3.19Å; L1711-F1755 HydrophobicContact CB-CE2 4.31Å; L1711-F1755 HydrophobicContact CB-CZ 4.47Å; L1711-F1755 HydrophobicContact CD2-CE2 4.19Å; L1711-F1755 HydrophobicContact CD2-CZ 3.92Å; L1711-F1755 HydrophobicContact CG-CE2 4.29Å; L1711-F1755 HydrophobicContact CG-CZ 3.98Å; A1745-F1755 HydrophobicContact CB-CE1 3.91Å; A1745-F1755 HydrophobicContact CB-CZ 3.85Å; A1745-F1755 WeakPolarHBondContact O-CE1 3.47Å; L1748-F1755 HydrophobicContact CB-CB 4.26Å; L1748-F1755 HydrophobicContact CB-CD1 3.61Å; L1748-F1755 HydrophobicContact CB-CD2 3.94Å; L1748-F1755 HydrophobicContact CB-CE1 3.79Å; L1748-F1755 HydrophobicContact CB-CE2 4.11Å; L1748-F1755 HydrophobicContact CB-CG 3.67Å; L1748-F1755 HydrophobicContact CB-CZ 4.03Å; L1748-F1755 HydrophobicContact CD1-CD2 4.04Å; L1748-F1755 HydrophobicContact CD1-CE2 3.74Å; L1748-F1755 HydrophobicContact CD1-CZ 4.08Å; D1749-F1755 HydrophobicContact CB-CD1 4.15Å; S1752-F1755 PolarHBondContact OG-N 2.99Å; F1755-K1757 HydrophobicContact CE1-CB 4.22Å; F1755-C1760 VanDerWaalsContact CZ-SG 3.5Å; F1755-R1797 WeakPolarHBondContact O-CD 3.49Å; F1755-R1797 VanDerWaalsContact O-CZ 3.31Å; F1755-R1797 PolarHBondContact O-NE 3.44Å; F1755-R1797 PolarHBondContact O-NH1 3.27Å; F1755-F1841 HydrophobicContact CB-CE2 4.18Å; F1755-F1841 AromaticContact CD2-CE2 3.88Å; F1755-F1841 HydrophobicContact CD2-CE2 3.88Å; F1755-F1841 HydrophobicContact CD2-CZ 4.19Å; F1755-F1841 HydrophobicContact CG-CE2 4.47Å |
| 1756 | S | 92.7 | Very high | 91.9 | Very high | 7 Ų | 7 | 44.7 Ų | 44.7 | 5% | 0.049 | 22% | 0.221 | C | C | . | . | trans | -147.3 | 96.4 | 176.8 | -172.1 | 0 | 0 | 0 | 0 | 111.6 | I1709 Q1758 S1759 | I1709-S1756 PolarHBondContact O-N 3.09Å; S1756-Q1758 PolarHBondContact O-N 3.32Å; S1756-S1759 WeakPolarHBondContact O-CB 3.44Å; S1756-S1759 PolarHBondContact O-N 3.32Å; S1756-S1759 PolarHBondContact OG-OG 3.27Å | ||
| 1757 | K | 92.2 | Very high | 91.4 | Very high | 99 Ų | 99 | 44.9 Ų | 44.9 | 43% | 0.43 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -57.1 | -31 | 175.2 | 172.4 | 178.4 | 166.1 | 180 | 0 | 113.2 | D1746 D1749 F1755 S1759 C1760 | D1746-K1757 WeakPolarHBondContact OD1-CD 3.47Å; D1746-K1757 WeakPolarHBondContact OD1-CE 3.38Å; D1746-K1757 IonicContact OD1-NZ 2.62Å; D1746-K1757 PolarHBondContact OD1-NZ 3.19Å; D1749-K1757 HydrophobicContact CB-CB 3.77Å; D1749-K1757 HydrophobicContact CB-CD 4.42Å; D1749-K1757 VanDerWaalsContact CG-CB 3.45Å; D1749-K1757 VanDerWaalsContact OD1-CB 3.26Å; D1749-K1757 WeakPolarHBondContact OD1-CB 3.45Å; D1749-K1757 PolarHBondContact OD1-N 3.23Å; F1755-K1757 HydrophobicContact CE1-CB 4.22Å; K1757-S1759 PolarHBondContact O-N 3.15Å; K1757-C1760 WeakPolarHBondContact O-CB 3.3Å; K1757-C1760 PolarHBondContact O-N 2.81Å; K1757-C1760 VanDerWaalsContact O-N 3.13Å |
| 1758 | Q | 90.6 | Very high | 91 | Very high | 192 Ų | 192 | 45.3 Ų | 45.3 | 90% | 0.897 | 23% | 0.231 | S | C | * | . | G | 310 helix | trans | -64.7 | -20.5 | 176.6 | -66.9 | -179.3 | -12.8 | 0 | 0 | 113.3 | S1756 | S1756-Q1758 PolarHBondContact O-N 3.32Š|
| 1759 | S | 91.2 | Very high | 90.8 | Very high | 24 Ų | 24 | 47.4 Ų | 47.4 | 17% | 0.168 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -93.7 | -0.2 | 176.1 | -64.3 | 0 | 0 | 0 | 0 | 113.4 | F1710 S1756 K1757 | F1710-S1759 WeakPolarHBondContact CD2-O 3.28Å; S1756-S1759 WeakPolarHBondContact O-CB 3.44Å; S1756-S1759 PolarHBondContact O-N 3.32Å; S1756-S1759 PolarHBondContact OG-OG 3.27Å; K1757-S1759 PolarHBondContact O-N 3.15Å |
| 1760 | C | 94.6 | Very high | 90.7 | Very high | 15 Ų | 15 | 47 Ų | 47 | 10% | 0.101 | 24% | 0.239 | C | C | . | . | trans | -85.7 | 137.2 | -174.7 | -63.5 | 0 | 0 | 0 | 0 | 112.7 | L1711 F1755 K1757 Y1762 | L1711-C1760 PolarHBondContact N-SG 2.55Å; L1711-C1760 WeakPolarHBondContact O-CA 3.27Å; L1711-C1760 VanDerWaalsContact O-CB 3.23Å; L1711-C1760 WeakPolarHBondContact O-CB 3.37Å; F1755-C1760 VanDerWaalsContact CZ-SG 3.5Å; K1757-C1760 WeakPolarHBondContact O-CB 3.3Å; K1757-C1760 PolarHBondContact O-N 2.81Å; K1757-C1760 VanDerWaalsContact O-N 3.13Å; C1760-Y1762 HydrophobicContact CB-CE2 4.12Å | ||
| 1761 | L | 93.5 | Very high | 91 | Very high | 60 Ų | 60 | 41.8 Ų | 41.8 | 31% | 0.314 | 22% | 0.215 | S | C | . | . | B | Isolated β-bridge | trans | -122.9 | 139.4 | -179.1 | -58.3 | 174.8 | 0 | 0 | 0 | 111.4 | D995 L1711 Y1712 G1713 | D995-L1761 VanDerWaalsContact OD1-CD1 3.26Å; D995-L1761 WeakPolarHBondContact OD1-CD1 3.43Å; L1711-L1761 PolarHBondContact O-N 3.4Å; Y1712-L1761 CarbonylContact C-O 3.4Å; Y1712-L1761 WeakPolarHBondContact CA-O 3.45Å; Y1712-L1761 HydrophobicContact CD1-CB 3.74Å; Y1712-L1761 HydrophobicContact CD1-CD1 4.25Å; Y1712-L1761 HydrophobicContact CD1-CG 4.15Å; Y1712-L1761 HydrophobicContact CE1-CB 4.1Å; Y1712-L1761 HydrophobicContact CE1-CD1 3.75Å; Y1712-L1761 HydrophobicContact CE1-CG 3.99Å; G1713-L1761 PolarHBondContact N-O 2.9Å |
| 1762 | Y | 93.5 | Very high | 91.2 | Very high | 17 Ų | 17 | 39 Ų | 39 | 7% | 0.067 | 20% | 0.201 | C | C | . | . | trans | -116.2 | 1.8 | -179.5 | -61.9 | -87.3 | 0 | 0 | 0 | 113.3 | L1711 G1713 S1715 E1718 Y1741 R1742 A1745 C1760 | L1711-Y1762 HydrophobicContact CD1-CE1 4.05Å; G1713-Y1762 CarbonylContact O-C 3.55Å; G1713-Y1762 WeakPolarHBondContact O-CA 3Å; S1715-Y1762 PolarHBondContact N-O 3.48Å; E1718-Y1762 WeakPolarHBondContact OE2-CB 3.35Å; Y1741-Y1762 AromaticContact CD2-CD1 3.46Å; Y1741-Y1762 HydrophobicContact CD2-CD1 3.46Å; Y1741-Y1762 VanDerWaalsContact CD2-CD1 3.46Å; Y1741-Y1762 AromaticContact CD2-CE1 3.75Å; Y1741-Y1762 HydrophobicContact CD2-CE1 3.75Å; Y1741-Y1762 HydrophobicContact CD2-CG 4.41Å; Y1741-Y1762 AromaticContact CE2-CD1 3.4Å; Y1741-Y1762 HydrophobicContact CE2-CD1 3.4Å; Y1741-Y1762 AromaticContact CE2-CE1 3.99Å; Y1741-Y1762 HydrophobicContact CE2-CE1 3.99Å; Y1741-Y1762 AromaticContact CE2-CG 3.91Å; Y1741-Y1762 HydrophobicContact CE2-CG 3.91Å; R1742-Y1762 HydrophobicContact CG-CD1 4.34Å; R1742-Y1762 HydrophobicContact CG-CE1 3.97Å; R1742-Y1762 HydrophobicContact CG-CE2 4.37Å; A1745-Y1762 VanDerWaalsContact CB-OH 3.24Å; A1745-Y1762 WeakPolarHBondContact CB-OH 3.31Å; C1760-Y1762 HydrophobicContact CB-CE2 4.12Å | ||
| 1763 | M | 91 | Very high | 91.4 | Very high | 72 Ų | 72 | 39.5 Ų | 39.5 | 36% | 0.355 | 20% | 0.202 | S | C | . | . | trans | -66.1 | 131.8 | -179.8 | -160.8 | -163.4 | -49.3 | 0 | 0 | 111.4 | D995 E1718 R1773 | D995-M1763 WeakPolarHBondContact OD2-CE 3.29Å; E1718-M1763 HydrophobicContact CB-CB 4.47Å; E1718-M1763 HydrophobicContact CB-CG 4.45Å; E1718-M1763 WeakPolarHBondContact O-CG 3.23Å; E1718-M1763 PolarHBondContact OE2-N 3.42Å; E1718-M1763 VanDerWaalsContact OE2-N 3.07Å; M1763-R1773 PolarHBondContact O-NH1 3.05Å | ||
| 1764 | V | 88.8 | Confident | 91.6 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | B | Isolated β-bridge | trans | -104.5 | 87.7 | 172.7 | 176.2 | 0 | 0 | 0 | 0 | 107.6 | C1714 E1718 W1720 I1774 W1777 R1778 | C1714-V1764 HydrophobicContact CB-CG2 3.86Å; E1718-V1764 PolarHBondContact O-N 3.09Å; W1720-V1764 VanDerWaalsContact CD1-O 3.3Å; W1720-V1764 PolarHBondContact N-O 3.17Å; V1764-I1774 HydrophobicContact CB-CD1 4.47Å; V1764-I1774 HydrophobicContact CG1-CD1 3.91Å; V1764-I1774 HydrophobicContact CG1-CG1 4.03Å; V1764-I1774 HydrophobicContact CG1-CG2 3.88Å; V1764-I1774 HydrophobicContact CG2-CD1 4.43Å; V1764-I1774 HydrophobicContact CG2-CG1 4.24Å; V1764-W1777 HydrophobicContact CG1-CZ3 4.22Å; V1764-W1777 HydrophobicContact CG2-CH2 4.41Å; V1764-W1777 HydrophobicContact CG2-CZ3 4.04Å; V1764-R1778 VanDerWaalsContact CG1-NH2 3.3Å |
| 1765 | S | 88 | Confident | 91.7 | Very high | 40 Ų | 40 | 38.1 Ų | 38.1 | 28% | 0.28 | 20% | 0.197 | S | C | . | . | trans | -86 | 160.8 | -179.7 | 81.9 | 0 | 0 | 0 | 0 | 112.2 | W1720 A1767 K1768 | W1720-S1765 VanDerWaalsContact CD1-C 3.49Å; S1765-A1767 PolarHBondContact O-N 2.99Å; S1765-K1768 PolarHBondContact O-N 2.91Å | ||
| 1766 | K | 88.8 | Confident | 91.7 | Very high | 121 Ų | 121 | 38.2 Ų | 38.2 | 53% | 0.526 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -63.1 | -42.5 | -174.7 | -175.5 | 166.3 | -171.6 | 176.5 | 0 | 113.4 | W1720 K1768 E1769 | W1720-K1766 HydrophobicContact CD2-CB 3.83Å; W1720-K1766 HydrophobicContact CD2-CD 4.44Å; W1720-K1766 HydrophobicContact CD2-CG 4.23Å; W1720-K1766 HydrophobicContact CE3-CB 4.43Å; W1720-K1766 HydrophobicContact CE3-CD 4.4Å; W1720-K1766 HydrophobicContact CG-CB 4.03Å; W1720-K1766 HydrophobicContact CH2-CD 3.67Å; W1720-K1766 HydrophobicContact CH2-CG 4.22Å; W1720-K1766 HydrophobicContact CZ2-CB 4.22Å; W1720-K1766 HydrophobicContact CZ2-CD 3.66Å; W1720-K1766 HydrophobicContact CZ2-CG 3.69Å; W1720-K1766 HydrophobicContact CZ3-CD 4.05Å; K1766-K1768 PolarHBondContact O-N 3.37Å; K1766-K1768 VanDerWaalsContact O-N 3.09Å; K1766-E1769 WeakPolarHBondContact CE-OE1 3.38Å; K1766-E1769 IonicContact NZ-OE1 3.77Å; K1766-E1769 WeakPolarHBondContact O-CG 3.49Å; K1766-E1769 PolarHBondContact O-N 3.44Å; K1766-E1769 VanDerWaalsContact O-N 3.16Å |
| 1767 | A | 83.2 | Confident | 91.8 | Very high | 48 Ų | 48 | 37.9 Ų | 37.9 | 40% | 0.397 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -67.6 | -11.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | E999 S1765 | E999-A1767 WeakPolarHBondContact OE1-CB 3.39Å; S1765-A1767 PolarHBondContact O-N 2.99Å |
| 1768 | K | 87.2 | Confident | 91.8 | Very high | 17 Ų | 17 | 35.5 Ų | 35.5 | 7% | 0.074 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -101.9 | 3 | 177.7 | -51.6 | -53.3 | 174.7 | -161 | 0 | 114 | E998 E999 S1765 K1766 T1770 T1771 I1774 | E998-K1768 WeakPolarHBondContact OE1-CD 3.44Å; E998-K1768 WeakPolarHBondContact OE1-CE 3.44Å; E998-K1768 IonicContact OE1-NZ 2.65Å; E998-K1768 PolarHBondContact OE1-NZ 3.34Å; E998-K1768 WeakPolarHBondContact OE2-CE 3.48Å; E998-K1768 IonicContact OE2-NZ 2.61Å; E998-K1768 PolarHBondContact OE2-NZ 3.11Å; E999-K1768 WeakPolarHBondContact OE1-CE 3.48Å; E999-K1768 IonicContact OE1-NZ 3.36Å; E999-K1768 PolarHBondContact OE1-NZ 2.92Å; S1765-K1768 PolarHBondContact O-N 2.91Å; K1766-K1768 PolarHBondContact O-N 3.37Å; K1766-K1768 VanDerWaalsContact O-N 3.09Å; K1768-T1770 PolarHBondContact O-N 3.29Å; K1768-T1770 VanDerWaalsContact O-N 3.07Å; K1768-T1771 HydrophobicContact CB-CG2 4.11Å; K1768-T1771 HydrophobicContact CD-CG2 4.38Å; K1768-T1771 WeakPolarHBondContact O-CG2 3.33Å; K1768-T1771 PolarHBondContact O-N 3.11Å; K1768-T1771 PolarHBondContact O-OG1 2.95Å; K1768-I1774 HydrophobicContact CB-CD1 3.52Å; K1768-I1774 VanDerWaalsContact O-CD1 3.26Å; K1768-I1774 WeakPolarHBondContact O-CD1 3.42Å |
| 1769 | E | 89.4 | Confident | 91.8 | Very high | 44 Ų | 44 | 30.1 Ų | 30.1 | 21% | 0.206 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -22.9 | -172.3 | 71.5 | -172.6 | 143.8 | 0 | 0 | 114.6 | I1667 W1720 K1766 | I1667-E1769 HydrophobicContact CD1-CG 4.31Å; I1667-E1769 VanDerWaalsContact CD1-O 3.27Å; I1667-E1769 WeakPolarHBondContact CD1-O 3.35Å; W1720-E1769 WeakPolarHBondContact CZ2-OE2 3.38Å; K1766-E1769 WeakPolarHBondContact CE-OE1 3.38Å; K1766-E1769 IonicContact NZ-OE1 3.77Å; K1766-E1769 WeakPolarHBondContact O-CG 3.49Å; K1766-E1769 PolarHBondContact O-N 3.44Å; K1766-E1769 VanDerWaalsContact O-N 3.16Å |
| 1770 | T | 91.5 | Very high | 91.8 | Very high | 29 Ų | 29 | 29.4 Ų | 29.4 | 18% | 0.178 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 7.7 | 178.1 | 61.2 | 0 | 0 | 0 | 0 | 115.1 | R1664 W1666 I1667 K1768 | R1664-T1770 CarbonylContact C-O 3.6Å; R1664-T1770 WeakPolarHBondContact CA-OG1 3.45Å; R1664-T1770 WeakPolarHBondContact O-CB 3.29Å; R1664-T1770 PolarHBondContact O-OG1 3.19Å; W1666-T1770 WeakPolarHBondContact CB-O 3.36Å; W1666-T1770 PolarHBondContact N-O 3.07Å; W1666-T1770 VanDerWaalsContact N-O 3.14Å; I1667-T1770 HydrophobicContact CB-CG2 4.4Å; I1667-T1770 HydrophobicContact CD1-CG2 4.06Å; I1667-T1770 HydrophobicContact CG1-CG2 4.35Å; K1768-T1770 PolarHBondContact O-N 3.29Å; K1768-T1770 VanDerWaalsContact O-N 3.07Å |
| 1771 | T | 95.7 | Very high | 91.5 | Very high | 3 Ų | 3 | 32.6 Ų | 32.6 | 2% | 0.018 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -77.8 | 160.8 | 174.7 | 66.6 | 0 | 0 | 0 | 0 | 112.5 | N1663 K1768 I1774 A1775 | N1663-T1771 VanDerWaalsContact OD1-CA 3.23Å; N1663-T1771 WeakPolarHBondContact OD1-CA 3.26Å; N1663-T1771 WeakPolarHBondContact OD1-CB 3.07Å; K1768-T1771 HydrophobicContact CB-CG2 4.11Å; K1768-T1771 HydrophobicContact CD-CG2 4.38Å; K1768-T1771 WeakPolarHBondContact O-CG2 3.33Å; K1768-T1771 PolarHBondContact O-N 3.11Å; K1768-T1771 PolarHBondContact O-OG1 2.95Å; T1771-I1774 PolarHBondContact O-N 3.33Å; T1771-A1775 VanDerWaalsContact O-CB 3.25Å; T1771-A1775 WeakPolarHBondContact O-CB 3.34Å; T1771-A1775 PolarHBondContact O-N 3.02Å |
| 1772 | A | 96.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -50.3 | -61.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | N1663 W1666 F1697 D1699 I1774 A1775 I1776 | N1663-A1772 PolarHBondContact OD1-N 3.34Å; W1666-A1772 VanDerWaalsContact CD1-N 3.28Å; W1666-A1772 HydrophobicContact CD2-CB 3.84Å; W1666-A1772 HydrophobicContact CE3-CB 4.43Å; W1666-A1772 HydrophobicContact CG-CB 4.26Å; W1666-A1772 HydrophobicContact CH2-CB 4.09Å; W1666-A1772 HydrophobicContact CZ2-CB 3.46Å; W1666-A1772 VanDerWaalsContact CZ2-CB 3.46Å; F1697-A1772 HydrophobicContact CE1-CB 3.7Å; F1697-A1772 HydrophobicContact CZ-CB 3.86Å; D1699-A1772 HydrophobicContact CB-CB 4.04Å; D1699-A1772 WeakPolarHBondContact OD2-CB 3.41Å; A1772-I1774 VanDerWaalsContact C-N 3.31Å; A1772-I1774 PolarHBondContact O-N 3.01Å; A1772-A1775 PolarHBondContact O-N 2.88Å; A1772-I1776 VanDerWaalsContact O-CB 3.27Å; A1772-I1776 WeakPolarHBondContact O-CB 3.38Å; A1772-I1776 WeakPolarHBondContact O-CG1 3.47Å; A1772-I1776 PolarHBondContact O-N 3.34Å |
| 1773 | R | 95.1 | Very high | 91.2 | Very high | 9 Ų | 9 | 30.3 Ų | 30.3 | 3% | 0.034 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -44.3 | -51.6 | 178.2 | 168 | 176 | 59.8 | 114.1 | -5 | 112.9 | Y1712 G1713 C1714 M1763 W1777 S1785 | Y1712-R1773 WeakPolarHBondContact O-CD 3.37Å; G1713-R1773 PolarHBondContact O-NH1 3.22Å; C1714-R1773 VanDerWaalsContact SG-CG 3.51Å; M1763-R1773 PolarHBondContact O-NH1 3.05Å; R1773-W1777 WeakPolarHBondContact O-CB 3.43Å; R1773-W1777 PolarHBondContact O-N 3.19Å; R1773-W1777 VanDerWaalsContact O-N 3.11Å; R1773-S1785 PolarHBondContact O-OG 3.3Å; R1773-S1785 VanDerWaalsContact O-OG 3.06Å |
| 1774 | I | 94.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -82.1 | -35.4 | -172.6 | -67.7 | 159.9 | 0 | 0 | 0 | 111.8 | V1764 K1768 T1771 A1772 R1778 | V1764-I1774 HydrophobicContact CB-CD1 4.47Å; V1764-I1774 HydrophobicContact CG1-CD1 3.91Å; V1764-I1774 HydrophobicContact CG1-CG1 4.03Å; V1764-I1774 HydrophobicContact CG1-CG2 3.88Å; V1764-I1774 HydrophobicContact CG2-CD1 4.43Å; V1764-I1774 HydrophobicContact CG2-CG1 4.24Å; K1768-I1774 HydrophobicContact CB-CD1 3.52Å; K1768-I1774 VanDerWaalsContact O-CD1 3.26Å; K1768-I1774 WeakPolarHBondContact O-CD1 3.42Å; T1771-I1774 PolarHBondContact O-N 3.33Å; A1772-I1774 VanDerWaalsContact C-N 3.31Å; A1772-I1774 PolarHBondContact O-N 3.01Å; I1774-R1778 VanDerWaalsContact CG2-NH1 3.34Å; I1774-R1778 WeakPolarHBondContact O-CB 3.4Å; I1774-R1778 WeakPolarHBondContact O-CG 3.33Å; I1774-R1778 PolarHBondContact O-N 3.08Å; I1774-R1778 VanDerWaalsContact O-N 3.08Å |
| 1775 | A | 94.3 | Very high | 91.7 | Very high | 4 Ų | 4 | 27.9 Ų | 27.9 | 3% | 0.033 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -67.7 | -45.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | W1666 I1667 T1771 A1772 R1778 Q1779 | W1666-A1775 HydrophobicContact CB-CB 3.56Å; I1667-A1775 HydrophobicContact CG1-CB 4.32Å; T1771-A1775 VanDerWaalsContact O-CB 3.25Å; T1771-A1775 WeakPolarHBondContact O-CB 3.34Å; T1771-A1775 PolarHBondContact O-N 3.02Å; A1772-A1775 PolarHBondContact O-N 2.88Å; A1775-R1778 PolarHBondContact O-N 2.94Å; A1775-Q1779 VanDerWaalsContact O-CB 3.23Å; A1775-Q1779 WeakPolarHBondContact O-CB 3.43Å; A1775-Q1779 WeakPolarHBondContact O-CG 3.45Å; A1775-Q1779 PolarHBondContact O-N 2.79Å |
| 1776 | I | 94.9 | Very high | 92.2 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65.9 | -45.2 | 179.1 | -63.8 | -55.3 | 0 | 0 | 0 | 111.1 | W1666 M1684 F1697 A1772 F1780 V1782 | W1666-I1776 HydrophobicContact CE3-CD1 4.05Å; W1666-I1776 HydrophobicContact CE3-CG1 4.29Å; W1666-I1776 HydrophobicContact CZ3-CD1 3.93Å; W1666-I1776 HydrophobicContact CZ3-CG1 4.2Å; M1684-I1776 HydrophobicContact CB-CD1 4.28Å; M1684-I1776 HydrophobicContact CE-CD1 4.14Å; M1684-I1776 HydrophobicContact CG-CD1 3.67Å; M1684-I1776 HydrophobicContact SD-CD1 4.03Å; M1684-I1776 HydrophobicContact SD-CG2 4.23Å; F1697-I1776 HydrophobicContact CB-CG2 3.96Å; F1697-I1776 HydrophobicContact CD1-CB 4.2Å; F1697-I1776 HydrophobicContact CD1-CG1 4.24Å; F1697-I1776 HydrophobicContact CD1-CG2 4.11Å; F1697-I1776 HydrophobicContact CD2-CG2 4.42Å; F1697-I1776 HydrophobicContact CE1-CB 4.5Å; F1697-I1776 HydrophobicContact CE1-CG1 4.1Å; F1697-I1776 HydrophobicContact CE2-CG1 4.46Å; F1697-I1776 HydrophobicContact CG-CB 4.44Å; F1697-I1776 HydrophobicContact CG-CG1 4.46Å; F1697-I1776 HydrophobicContact CG-CG2 3.88Å; F1697-I1776 HydrophobicContact CZ-CG1 4.21Å; A1772-I1776 VanDerWaalsContact O-CB 3.27Å; A1772-I1776 WeakPolarHBondContact O-CB 3.38Å; A1772-I1776 WeakPolarHBondContact O-CG1 3.47Å; A1772-I1776 PolarHBondContact O-N 3.34Å; I1776-F1780 HydrophobicContact CD1-CD2 3.63Å; I1776-F1780 HydrophobicContact CD1-CE2 3.69Å; I1776-F1780 PolarHBondContact O-N 3.43Å; I1776-F1780 VanDerWaalsContact O-N 3.14Å; I1776-V1782 HydrophobicContact CG2-CB 3.93Å; I1776-V1782 HydrophobicContact CG2-CG1 4.44Å; I1776-V1782 HydrophobicContact CG2-CG2 3.83Å |
| 1777 | W | 93.9 | Very high | 92.6 | Very high | 1 Ų | 1 | 20.6 Ų | 20.6 | 0% | 0.004 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -53.6 | -56.4 | 172.7 | 177.6 | 67.4 | 0 | 0 | 0 | 111.9 | C1714 D1724 Y1730 V1764 R1773 N1781 | C1714-W1777 HydrophobicContact CB-CB 4.39Å; C1714-W1777 HydrophobicContact CB-CD2 3.38Å; C1714-W1777 VanDerWaalsContact CB-CE2 3.45Å; C1714-W1777 HydrophobicContact CB-CE3 3.78Å; C1714-W1777 HydrophobicContact CB-CG 3.66Å; C1714-W1777 HydrophobicContact CB-CH2 4.32Å; C1714-W1777 HydrophobicContact CB-CZ2 3.94Å; C1714-W1777 HydrophobicContact CB-CZ3 4.25Å; D1724-W1777 HydrophobicContact CB-CH2 3.92Å; D1724-W1777 HydrophobicContact CB-CZ3 4.46Å; Y1730-W1777 HydrophobicContact CD1-CZ2 4.49Å; Y1730-W1777 AromaticContact CD1-NE1 3.43Å; Y1730-W1777 AromaticContact CD2-CE2 3.78Å; Y1730-W1777 HydrophobicContact CD2-CH2 4.27Å; Y1730-W1777 AromaticContact CD2-CZ2 3.43Å; Y1730-W1777 HydrophobicContact CD2-CZ2 3.43Å; Y1730-W1777 VanDerWaalsContact CD2-CZ2 3.43Å; Y1730-W1777 AromaticContact CD2-NE1 3.95Å; Y1730-W1777 AromaticContact CE1-CD1 3.57Å; Y1730-W1777 HydrophobicContact CE1-CD2 4.42Å; Y1730-W1777 AromaticContact CE1-CE2 3.8Å; Y1730-W1777 HydrophobicContact CE1-CG 4.29Å; Y1730-W1777 HydrophobicContact CE1-CZ2 4.44Å; Y1730-W1777 AromaticContact CE1-NE1 3.2Å; Y1730-W1777 HydrophobicContact CE2-CD2 4.13Å; Y1730-W1777 AromaticContact CE2-CE2 3.42Å; Y1730-W1777 VanDerWaalsContact CE2-CE2 3.42Å; Y1730-W1777 AromaticContact CE2-CH2 3.97Å; Y1730-W1777 HydrophobicContact CE2-CH2 3.97Å; Y1730-W1777 AromaticContact CE2-CZ2 3.33Å; Y1730-W1777 HydrophobicContact CE2-CZ2 3.33Å; Y1730-W1777 AromaticContact CE2-NE1 3.74Å; Y1730-W1777 HydrophobicContact CG-CZ2 4.04Å; Y1730-W1777 AromaticContact CG-NE1 3.82Å; Y1730-W1777 AromaticContact CZ-CD1 3.8Å; Y1730-W1777 AromaticContact CZ-CD2 3.89Å; Y1730-W1777 AromaticContact CZ-CE2 3.44Å; Y1730-W1777 VanDerWaalsContact CZ-CE2 3.44Å; Y1730-W1777 AromaticContact CZ-CZ2 3.9Å; Y1730-W1777 AromaticContact CZ-NE1 3.37Å; Y1730-W1777 VanDerWaalsContact OH-C 3.3Å; Y1730-W1777 PolarHBondContact OH-O 2.92Å; V1764-W1777 HydrophobicContact CG1-CZ3 4.22Å; V1764-W1777 HydrophobicContact CG2-CH2 4.41Å; V1764-W1777 HydrophobicContact CG2-CZ3 4.04Å; R1773-W1777 WeakPolarHBondContact O-CB 3.43Å; R1773-W1777 PolarHBondContact O-N 3.19Å; R1773-W1777 VanDerWaalsContact O-N 3.11Å; W1777-N1781 VanDerWaalsContact O-CA 3.28Å; W1777-N1781 WeakPolarHBondContact O-CA 3.32Å; W1777-N1781 PolarHBondContact O-N 2.91Å |
| 1778 | R | 91.1 | Very high | 93.3 | Very high | 48 Ų | 48 | 18.3 Ų | 18.3 | 18% | 0.181 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -70.4 | -37.2 | -175.5 | -73.9 | -168 | 178.4 | 127.1 | 1.7 | 114.9 | S1719 D1724 Y1730 V1764 I1774 A1775 | S1719-R1778 PolarHBondContact OG-NH2 3.03Å; D1724-R1778 IonicContact OD1-NE 2.71Å; D1724-R1778 PolarHBondContact OD1-NE 2.92Å; D1724-R1778 IonicContact OD2-CZ 2.65Å; D1724-R1778 VanDerWaalsContact OD2-CZ 3.3Å; D1724-R1778 IonicContact OD2-NE 3.61Å; D1724-R1778 PolarHBondContact OD2-NE 3.36Å; D1724-R1778 IonicContact OD2-NH2 4Å; D1724-R1778 PolarHBondContact OD2-NH2 2.89Å; Y1730-R1778 WeakPolarHBondContact OH-CA 3.44Å; V1764-R1778 VanDerWaalsContact CG1-NH2 3.3Å; I1774-R1778 VanDerWaalsContact CG2-NH1 3.34Å; I1774-R1778 WeakPolarHBondContact O-CB 3.4Å; I1774-R1778 WeakPolarHBondContact O-CG 3.33Å; I1774-R1778 PolarHBondContact O-N 3.08Å; I1774-R1778 VanDerWaalsContact O-N 3.08Å; A1775-R1778 PolarHBondContact O-N 2.94Å |
| 1779 | Q | 91.1 | Very high | 93.8 | Very high | 80 Ų | 80 | 18 Ų | 18 | 37% | 0.374 | 9% | 0.087 | S | C | . | . | H | α-helix | trans | -95.7 | -24.2 | -167.6 | -60.8 | -174.6 | -8.7 | 0 | 0 | 113.4 | K1681 A1775 | K1681-Q1779 VanDerWaalsContact CE-OE1 3.26Å; A1775-Q1779 VanDerWaalsContact O-CB 3.23Å; A1775-Q1779 WeakPolarHBondContact O-CB 3.43Å; A1775-Q1779 WeakPolarHBondContact O-CG 3.45Å; A1775-Q1779 PolarHBondContact O-N 2.79Å |
| 1780 | F | 90.8 | Very high | 94.1 | Very high | 9 Ų | 9 | 15.9 Ų | 15.9 | 4% | 0.039 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -120.3 | 4.9 | -179.1 | -53.6 | -59.2 | 0 | 0 | 0 | 113.3 | K1681 M1684 E1685 T1688 S1693 I1776 V1782 | K1681-F1780 HydrophobicContact CG-CE2 4.05Å; K1681-F1780 HydrophobicContact CG-CZ 3.82Å; M1684-F1780 HydrophobicContact CB-CD1 4.25Å; M1684-F1780 HydrophobicContact CB-CD2 3.48Å; M1684-F1780 VanDerWaalsContact CB-CD2 3.48Å; M1684-F1780 HydrophobicContact CB-CE1 4.25Å; M1684-F1780 HydrophobicContact CB-CE2 3.47Å; M1684-F1780 VanDerWaalsContact CB-CE2 3.47Å; M1684-F1780 HydrophobicContact CB-CG 3.88Å; M1684-F1780 HydrophobicContact CB-CZ 3.87Å; M1684-F1780 HydrophobicContact CG-CD2 4.24Å; M1684-F1780 HydrophobicContact CG-CE2 4.27Å; E1685-F1780 VanDerWaalsContact CA-CE1 3.45Å; E1685-F1780 HydrophobicContact CB-CE1 3.64Å; E1685-F1780 HydrophobicContact CB-CZ 4.1Å; E1685-F1780 HydrophobicContact CG-CE1 4.16Å; T1688-F1780 HydrophobicContact CG2-CD1 4.44Å; T1688-F1780 WeakPolarHBondContact OG1-CD1 3.19Å; S1693-F1780 PolarHBondContact OG-O 2.87Å; I1776-F1780 HydrophobicContact CD1-CD2 3.63Å; I1776-F1780 HydrophobicContact CD1-CE2 3.69Å; I1776-F1780 PolarHBondContact O-N 3.43Å; I1776-F1780 VanDerWaalsContact O-N 3.14Å; F1780-V1782 HydrophobicContact CB-CG2 4.24Å; F1780-V1782 PolarHBondContact O-N 2.92Å |
| 1781 | N | 89.5 | Confident | 94.2 | Very high | 81 Ų | 81 | 14.5 Ų | 14.5 | 43% | 0.433 | 7% | 0.069 | S | C | . | . | trans | 57.9 | 25.1 | 179.7 | -63.1 | -51.2 | 0 | 0 | 0 | 114.7 | N1727 A1729 W1777 L1783 | N1727-N1781 PolarHBondContact ND2-OD1 3.28Å; A1729-N1781 HydrophobicContact CB-CB 3.89Å; A1729-N1781 WeakPolarHBondContact CB-OD1 3.35Å; W1777-N1781 VanDerWaalsContact O-CA 3.28Å; W1777-N1781 WeakPolarHBondContact O-CA 3.32Å; W1777-N1781 PolarHBondContact O-N 2.91Å; N1781-L1783 PolarHBondContact O-N 3.2Å | ||
| 1782 | V | 91.4 | Very high | 94 | Very high | 1 Ų | 1 | 14.4 Ų | 14.4 | 1% | 0.006 | 7% | 0.069 | C | C | . | . | trans | -71.1 | 96.2 | 175 | 178.8 | 0 | 0 | 0 | 0 | 109 | S1693 P1694 F1697 I1776 F1780 R1784 S1785 | S1693-V1782 WeakPolarHBondContact OG-CG2 3.33Å; P1694-V1782 HydrophobicContact CB-CG1 4.44Å; P1694-V1782 HydrophobicContact CB-CG2 4.05Å; P1694-V1782 HydrophobicContact CG-CG2 4.19Å; F1697-V1782 HydrophobicContact CB-CG1 3.91Å; I1776-V1782 HydrophobicContact CG2-CB 3.93Å; I1776-V1782 HydrophobicContact CG2-CG1 4.44Å; I1776-V1782 HydrophobicContact CG2-CG2 3.83Å; F1780-V1782 HydrophobicContact CB-CG2 4.24Å; F1780-V1782 PolarHBondContact O-N 2.92Å; V1782-R1784 VanDerWaalsContact C-N 3.31Å; V1782-R1784 PolarHBondContact O-N 3.31Å; V1782-S1785 WeakPolarHBondContact O-CB 3.37Å; V1782-S1785 PolarHBondContact O-N 3.17Å | ||
| 1783 | L | 89.8 | Confident | 93.7 | Very high | 28 Ų | 28 | 14.4 Ų | 14.4 | 15% | 0.147 | 7% | 0.069 | C | C | . | . | S | Bend | trans | -56.6 | -43.3 | -177.9 | 176.1 | 65.2 | 0 | 0 | 0 | 112.4 | Y1730 D1738 S1740 Y1741 N1781 S1785 | Y1730-L1783 HydrophobicContact CD1-CD1 3.88Å; Y1730-L1783 HydrophobicContact CG-CD1 4.47Å; D1738-L1783 VanDerWaalsContact OD2-CD2 3.27Å; D1738-L1783 WeakPolarHBondContact OD2-CD2 3.09Å; S1740-L1783 WeakPolarHBondContact OG-CD2 3.24Å; Y1741-L1783 HydrophobicContact CD1-CD1 4.4Å; N1781-L1783 PolarHBondContact O-N 3.2Å; L1783-S1785 VanDerWaalsContact C-N 3.32Å; L1783-S1785 PolarHBondContact O-N 2.84Å |
| 1784 | R | 94.4 | Very high | 93.4 | Very high | 21 Ų | 21 | 14 Ų | 14 | 8% | 0.079 | 7% | 0.067 | C | C | . | . | S | Bend | trans | -94.9 | 60.4 | -179.4 | -58.9 | -168.7 | -171.4 | 85.2 | 7.4 | 111 | Y1695 I1696 F1697 S1740 V1782 Y1786 | Y1695-R1784 WeakPolarHBondContact O-CB 3.29Å; Y1695-R1784 PolarHBondContact OH-NH1 3.05Å; I1696-R1784 WeakPolarHBondContact CA-O 3.47Å; I1696-R1784 HydrophobicContact CG1-CB 4.08Å; F1697-R1784 PolarHBondContact N-O 2.78Å; S1740-R1784 PolarHBondContact O-NE 2.9Å; S1740-R1784 PolarHBondContact OG-NH2 3.25Å; V1782-R1784 VanDerWaalsContact C-N 3.31Å; V1782-R1784 PolarHBondContact O-N 3.31Å; R1784-Y1786 HydrophobicContact CB-CE2 3.67Å |
| 1785 | S | 95.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 123.3 | 174.8 | -158.7 | 0 | 0 | 0 | 0 | 110 | F1697 R1773 V1782 L1783 | F1697-S1785 VanDerWaalsContact CD1-OG 3.3Å; F1697-S1785 WeakPolarHBondContact CD1-OG 3.19Å; F1697-S1785 WeakPolarHBondContact O-CA 3.45Å; R1773-S1785 PolarHBondContact O-OG 3.3Å; R1773-S1785 VanDerWaalsContact O-OG 3.06Å; V1782-S1785 WeakPolarHBondContact O-CB 3.37Å; V1782-S1785 PolarHBondContact O-N 3.17Å; L1783-S1785 VanDerWaalsContact C-N 3.32Å; L1783-S1785 PolarHBondContact O-N 2.84Å |
| 1786 | Y | 97.7 | Very high | 92.7 | Very high | 1 Ų | 1 | 18.2 Ų | 18.2 | 0% | 0.004 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 159 | -172.5 | -52 | -63.1 | 0 | 0 | 0 | 113.4 | I1696 F1697 I1698 D1699 L1711 Y1712 Y1741 L1744 R1784 | I1696-Y1786 HydrophobicContact CG2-CD2 4.5Å; F1697-Y1786 PolarHBondContact O-N 3.31Å; I1698-Y1786 WeakPolarHBondContact CA-O 3.3Å; I1698-Y1786 HydrophobicContact CD1-CD2 4.5Å; I1698-Y1786 HydrophobicContact CG1-CD2 4.14Å; D1699-Y1786 PolarHBondContact N-O 2.85Å; L1711-Y1786 HydrophobicContact CD1-CD1 3.83Å; L1711-Y1786 HydrophobicContact CD1-CE1 4.25Å; Y1712-Y1786 VanDerWaalsContact O-CA 3.27Å; Y1712-Y1786 WeakPolarHBondContact O-CA 3.17Å; Y1741-Y1786 WeakPolarHBondContact CA-OH 3.24Å; Y1741-Y1786 VanDerWaalsContact O-CE1 3.25Å; Y1741-Y1786 WeakPolarHBondContact O-CE1 3.37Å; Y1741-Y1786 PolarHBondContact O-OH 2.67Å; L1744-Y1786 HydrophobicContact CB-CE2 4.23Å; L1744-Y1786 HydrophobicContact CD2-CD2 3.75Å; L1744-Y1786 HydrophobicContact CD2-CE2 3.42Å; L1744-Y1786 VanDerWaalsContact CD2-CE2 3.42Å; L1744-Y1786 HydrophobicContact CG-CE2 4.46Å; R1784-Y1786 HydrophobicContact CB-CE2 3.67Å |
| 1787 | T | 97.9 | Very high | 92 | Very high | 8 Ų | 8 | 19.7 Ų | 19.7 | 5% | 0.049 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 127.2 | 159.5 | -70.5 | 0 | 0 | 0 | 0 | 106.6 | D1699 H1701 L1711 Y1712 E1789 | D1699-T1787 CarbonylContact O-C 3.5Å; D1699-T1787 VanDerWaalsContact O-CA 3.32Å; D1699-T1787 WeakPolarHBondContact O-CA 3.32Å; H1701-T1787 HydrophobicContact CB-CG2 4.5Å; L1711-T1787 CarbonylContact C-O 3.56Å; L1711-T1787 VanDerWaalsContact CA-O 3.24Å; L1711-T1787 WeakPolarHBondContact CA-O 3.39Å; Y1712-T1787 HydrophobicContact CD2-CG2 3.97Å; Y1712-T1787 PolarHBondContact N-O 3.2Å; Y1712-T1787 PolarHBondContact O-N 3.3Å; T1787-E1789 HydrophobicContact CG2-CG 4.14Å |
| 1788 | I | 98 | Very high | 91.1 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 124.6 | 172.3 | -72.3 | -175.1 | 0 | 0 | 0 | 109.3 | I1698 D1699 F1700 H1701 I1709 F1710 L1711 F1841 L1845 | I1698-I1788 HydrophobicContact CD1-CD1 3.94Å; I1698-I1788 HydrophobicContact CG2-CB 4.02Å; I1698-I1788 HydrophobicContact CG2-CD1 3.83Å; I1698-I1788 HydrophobicContact CG2-CG1 3.69Å; D1699-I1788 PolarHBondContact O-N 3.31Å; F1700-I1788 HydrophobicContact CD1-CB 3.99Å; F1700-I1788 HydrophobicContact CD1-CG2 4.04Å; F1700-I1788 HydrophobicContact CE1-CB 4.26Å; F1700-I1788 HydrophobicContact CE1-CD1 4.04Å; F1700-I1788 HydrophobicContact CE1-CG2 4.3Å; H1701-I1788 WeakPolarHBondContact CB-O 3.05Å; H1701-I1788 PolarHBondContact N-O 3.1Å; I1709-I1788 HydrophobicContact CG2-CG2 3.85Å; F1710-I1788 WeakPolarHBondContact O-CA 2.86Å; L1711-I1788 HydrophobicContact CB-CG1 3.91Å; I1788-F1841 HydrophobicContact CD1-CE1 4.35Å; I1788-F1841 HydrophobicContact CD1-CZ 4.28Å; I1788-F1841 HydrophobicContact CG2-CE1 4Å; I1788-F1841 HydrophobicContact CG2-CZ 4.29Å; I1788-L1845 HydrophobicContact CD1-CD1 4.34Å; I1788-L1845 HydrophobicContact CD1-CD2 4.07Å |
| 1789 | E | 97 | Very high | 90.3 | Very high | 10 Ų | 10 | 26.3 Ų | 26.3 | 5% | 0.047 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 124.6 | -177.2 | -76.4 | -71.8 | -177.2 | 0 | 0 | 110.1 | H1701 G1702 H1703 I1709 F1710 Y1712 T1787 | H1701-E1789 VanDerWaalsContact CB-CD 3.49Å; H1701-E1789 HydrophobicContact CB-CG 4.38Å; H1701-E1789 WeakPolarHBondContact CB-OE2 3.23Å; G1702-E1789 PolarHBondContact N-OE2 2.73Å; H1703-E1789 HydrophobicContact CB-CB 4.2Å; H1703-E1789 WeakPolarHBondContact CB-OE2 3.47Å; H1703-E1789 IonicContact CD2-OE2 3.45Å; H1703-E1789 PolarHBondContact N-OE2 2.81Å; I1709-E1789 CarbonylContact C-O 3.48Å; I1709-E1789 VanDerWaalsContact CA-O 3.32Å; I1709-E1789 WeakPolarHBondContact CA-O 3.48Å; I1709-E1789 WeakPolarHBondContact CG2-O 3.35Å; F1710-E1789 HydrophobicContact CD2-CB 3.98Å; F1710-E1789 HydrophobicContact CE1-CB 4.27Å; F1710-E1789 HydrophobicContact CE2-CB 3.58Å; F1710-E1789 HydrophobicContact CE2-CG 4.07Å; F1710-E1789 HydrophobicContact CG-CB 4.48Å; F1710-E1789 HydrophobicContact CZ-CB 3.74Å; F1710-E1789 HydrophobicContact CZ-CG 4.46Å; F1710-E1789 PolarHBondContact N-O 2.93Å; F1710-E1789 PolarHBondContact O-N 3.41Å; Y1712-E1789 HydrophobicContact CD2-CG 4.23Å; Y1712-E1789 HydrophobicContact CE2-CG 3.76Å; T1787-E1789 HydrophobicContact CG2-CG 4.14Å |
| 1790 | A | 96.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 133.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | N1608 I1612 H1701 G1702 H1703 I1709 L1838 | N1608-A1790 PolarHBondContact ND2-O 2.68Å; I1612-A1790 HydrophobicContact CD1-CB 3.91Å; H1701-A1790 PolarHBondContact O-N 3.28Å; H1701-A1790 VanDerWaalsContact O-N 3.08Å; G1702-A1790 CarbonylContact C-O 3.51Å; G1702-A1790 VanDerWaalsContact CA-O 3.31Å; G1702-A1790 WeakPolarHBondContact CA-O 3.46Å; H1703-A1790 PolarHBondContact N-O 2.98Å; I1709-A1790 HydrophobicContact CD1-CB 4.42Å; I1709-A1790 HydrophobicContact CG1-CB 4Å; I1709-A1790 HydrophobicContact CG2-CB 4.38Å; A1790-L1838 HydrophobicContact CB-CD2 3.97Å |
| 1791 | S | 93.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 151.1 | 175.9 | -165 | 0 | 0 | 0 | 0 | 112.9 | Q1458 N1608 M1706 N1708 C1793 | Q1458-S1791 PolarHBondContact NE2-OG 3.42Å; N1608-S1791 PolarHBondContact ND2-O 3.31Å; N1608-S1791 VanDerWaalsContact ND2-O 3.13Å; M1706-S1791 WeakPolarHBondContact O-CB 3.33Å; M1706-S1791 PolarHBondContact O-OG 2.73Å; N1708-S1791 WeakPolarHBondContact O-CB 3.31Å; N1708-S1791 PolarHBondContact O-N 3Å; S1791-C1793 PolarHBondContact OG-N 2.97Å |
| 1792 | Y | 91.3 | Very high | 86.3 | Confident | 1 Ų | 1 | 37 Ų | 37 | 0% | 0.004 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -86.7 | -21 | 163.6 | -63.6 | -82.9 | 0 | 0 | 0 | 112.8 | R1482 Y1529 H1530 G1605 E1606 H1653 H1703 | R1482-Y1792 PolarHBondContact NH1-O 3.35Å; R1482-Y1792 PolarHBondContact NH2-O 2.92Å; Y1529-Y1792 HydrophobicContact CD1-CD1 4.26Å; Y1529-Y1792 HydrophobicContact CD1-CE1 4.16Å; Y1529-Y1792 AromaticContact CE1-CD1 3.67Å; Y1529-Y1792 HydrophobicContact CE1-CD1 3.67Å; Y1529-Y1792 AromaticContact CE1-CD2 3.94Å; Y1529-Y1792 HydrophobicContact CE1-CD2 3.94Å; Y1529-Y1792 AromaticContact CE1-CE1 3.7Å; Y1529-Y1792 HydrophobicContact CE1-CE1 3.7Å; Y1529-Y1792 AromaticContact CE1-CE2 3.99Å; Y1529-Y1792 HydrophobicContact CE1-CE2 3.99Å; Y1529-Y1792 AromaticContact CE1-CG 3.74Å; Y1529-Y1792 HydrophobicContact CE1-CG 3.74Å; Y1529-Y1792 AromaticContact CE1-CZ 3.83Å; H1530-Y1792 HydrophobicContact CB-CD1 3.66Å; H1530-Y1792 HydrophobicContact CB-CE1 4.08Å; H1530-Y1792 AromaticContact CD2-CD1 3.86Å; H1530-Y1792 AromaticContact CG-CD1 3.61Å; G1605-Y1792 VanDerWaalsContact C-OH 3.27Å; G1605-Y1792 WeakPolarHBondContact O-CE1 3.5Å; G1605-Y1792 PolarHBondContact O-OH 3.44Å; E1606-Y1792 WeakPolarHBondContact CA-OH 3.11Å; E1606-Y1792 VanDerWaalsContact CG-OH 3.3Å; E1606-Y1792 WeakPolarHBondContact CG-OH 3.38Å; H1653-Y1792 PolarHBondContact CE1-OH 3.08Å; H1703-Y1792 WeakPolarHBondContact O-CD2 3.23Å |
| 1793 | C | 90 | Very high | 83.9 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -82.9 | -68.9 | -174.4 | 177.7 | 0 | 0 | 0 | 0 | 111.6 | F1138 Q1458 M1463 S1791 Q1832 I1833 | F1138-C1793 VanDerWaalsContact CE1-SG 3.52Å; Q1458-C1793 HydrophobicContact CB-CB 3.9Å; Q1458-C1793 HydrophobicContact CG-CB 3.51Å; Q1458-C1793 VanDerWaalsContact OE1-N 3.08Å; M1463-C1793 HydrophobicContact CB-CB 3.96Å; M1463-C1793 HydrophobicContact CG-CB 4.4Å; M1463-C1793 HydrophobicContact SD-CB 4.38Å; S1791-C1793 PolarHBondContact OG-N 2.97Å; C1793-Q1832 VanDerWaalsContact O-CA 3.23Å; C1793-Q1832 WeakPolarHBondContact O-CA 3.4Å; C1793-I1833 PolarHBondContact O-N 2.65Å |
| 1794 | G | 88.8 | Confident | 81.5 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.1 | -179.8 | -171.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | K1707 N1708 H1831 | K1707-G1794 WeakPolarHBondContact CB-O 3.29Å; N1708-G1794 PolarHBondContact N-O 3.37Å; G1794-H1831 CarbonylContact C-O 3.57Å; G1794-H1831 WeakPolarHBondContact CA-O 3.49Å |
| 1795 | I | 89 | Confident | 78.6 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 134.1 | 177.9 | -50.2 | -58.3 | 0 | 0 | 0 | 108.4 | F1138 N1708 Y1754 I1829 Q1830 H1831 I1833 | F1138-I1795 VanDerWaalsContact CE2-O 3.24Å; F1138-I1795 WeakPolarHBondContact CE2-O 3.44Å; F1138-I1795 WeakPolarHBondContact CZ-O 3.3Å; N1708-I1795 WeakPolarHBondContact OD1-CA 3.4Å; Y1754-I1795 HydrophobicContact CD1-CD1 4.23Å; Y1754-I1795 HydrophobicContact CD1-CG1 4.05Å; I1795-I1829 HydrophobicContact CB-CG2 4.46Å; I1795-I1829 HydrophobicContact CG2-CG2 3.85Å; I1795-Q1830 WeakPolarHBondContact O-CA 3.12Å; I1795-H1831 PolarHBondContact N-O 3.38Å; I1795-H1831 PolarHBondContact O-N 3.39Å; I1795-H1831 VanDerWaalsContact O-N 3.13Å; I1795-I1833 HydrophobicContact CD1-CD1 3.99Å; I1795-I1833 HydrophobicContact CD1-CG1 4.39Å |
| 1796 | H | 85.4 | Confident | 75.8 | Confident | 92 Ų | 92 | 64.5 Ų | 64.5 | 43% | 0.426 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 88.1 | 179.3 | 177.9 | -83.3 | 0 | 0 | 0 | 108.2 | F1138 K1707 N1708 I1829 | F1138-H1796 HydrophobicContact CE2-CB 4.07Å; F1138-H1796 HydrophobicContact CZ-CB 4.28Å; K1707-H1796 HydrophobicContact CB-CB 4.42Å; K1707-H1796 HydrophobicContact CD-CB 3.89Å; N1708-H1796 PolarHBondContact ND2-O 3.38Å; N1708-H1796 PolarHBondContact OD1-N 3.43Å; N1708-H1796 PolarHBondContact OD1-O 3.07Å; H1796-I1829 WeakPolarHBondContact CA-O 3.4Å |
| 1797 | R | 79.8 | Confident | 72.6 | Confident | 33 Ų | 33 | 73.8 Ų | 73.8 | 13% | 0.125 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 141.7 | -178.8 | -172.9 | 165.9 | 173.6 | -130.8 | -9.2 | 110.8 | D1749 S1752 F1755 I1829 | D1749-R1797 PolarHBondContact O-NH1 2.79Å; D1749-R1797 PolarHBondContact O-NH2 3.47Å; D1749-R1797 IonicContact OD1-CZ 3.03Å; D1749-R1797 VanDerWaalsContact OD1-CZ 3.29Å; D1749-R1797 IonicContact OD1-NE 2.7Å; D1749-R1797 IonicContact OD1-NH1 3.29Å; D1749-R1797 IonicContact OD1-NH2 3.75Å; D1749-R1797 PolarHBondContact OD1-NH2 2.69Å; D1749-R1797 IonicContact OD2-CZ 3.3Å; D1749-R1797 IonicContact OD2-NH2 3.22Å; D1749-R1797 PolarHBondContact OD2-NH2 3.17Å; S1752-R1797 PolarHBondContact O-NH1 3.46Å; F1755-R1797 WeakPolarHBondContact O-CD 3.49Å; F1755-R1797 VanDerWaalsContact O-CZ 3.31Å; F1755-R1797 PolarHBondContact O-NE 3.44Å; F1755-R1797 PolarHBondContact O-NH1 3.27Å; R1797-I1829 PolarHBondContact N-O 3.45Å; R1797-I1829 VanDerWaalsContact N-O 3.08Å; R1797-I1829 PolarHBondContact O-N 2.74Å |
| 1798 | K | 75 | Confident | 69.6 | Low | 162 Ų | 162 | 82.5 Ų | 82.5 | 70% | 0.704 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 118.7 | 160.5 | -62.8 | -173.4 | -179.9 | -179.2 | 0 | 106.7 | V1826 V1828 | K1798-V1826 HydrophobicContact CB-CG1 4.07Å; K1798-V1828 HydrophobicContact CG-CG2 4.33Å |
| 1799 | W | 74.7 | Confident | 66.5 | Low | 25 Ų | 25 | 91.4 Ų | 91.4 | 10% | 0.095 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 145 | -175.9 | -174.3 | 65.1 | 0 | 0 | 0 | 110.8 | D1749 Q1750 P1753 R1801 E1827 I1829 | D1749-W1799 PolarHBondContact O-NE1 3.45Å; Q1750-W1799 WeakPolarHBondContact O-CZ2 3.26Å; P1753-W1799 HydrophobicContact CB-CD2 4.02Å; P1753-W1799 HydrophobicContact CB-CE3 4.11Å; P1753-W1799 HydrophobicContact CB-CG 4.3Å; W1799-R1801 HydrophobicContact CE3-CB 4.28Å; W1799-R1801 HydrophobicContact CH2-CB 3.86Å; W1799-R1801 HydrophobicContact CH2-CG 3.84Å; W1799-R1801 HydrophobicContact CZ3-CB 3.66Å; W1799-R1801 HydrophobicContact CZ3-CG 4Å; W1799-E1827 PolarHBondContact N-O 3.04Å; W1799-E1827 PolarHBondContact O-N 3.4Å; W1799-I1829 HydrophobicContact CB-CD1 4.48Å; W1799-I1829 HydrophobicContact CE3-CD1 4.43Å |
| 1800 | R | 67.4 | Low | 63.4 | Low | 150 Ų | 150 | 100.3 Ų | 100.3 | 57% | 0.566 | 46% | 0.458 | S | S | * | . | trans | -114.2 | 120.9 | 173.1 | -60.9 | -164.9 | -162.5 | -171.8 | 10 | 108.5 | N1802 E1824 V1826 | R1800-N1802 VanDerWaalsContact C-N 3.34Å; R1800-N1802 PolarHBondContact O-N 3.09Å; R1800-E1824 IonicContact NH1-OE2 3.43Å; R1800-E1824 PolarHBondContact NH1-OE2 3.1Å; R1800-V1826 HydrophobicContact CG-CG1 4.48Å; R1800-V1826 HydrophobicContact CG-CG2 4.25Å | ||
| 1801 | R | 62 | Low | 60.5 | Low | 143 Ų | 143 | 103.9 Ų | 103.9 | 54% | 0.54 | 50% | 0.495 | S | S | . | . | trans | -79.6 | 82.8 | 174.2 | -172.5 | -176.8 | -69.9 | 92.4 | 0 | 109 | W1799 Q1803 E1827 | W1799-R1801 HydrophobicContact CE3-CB 4.28Å; W1799-R1801 HydrophobicContact CH2-CB 3.86Å; W1799-R1801 HydrophobicContact CH2-CG 3.84Å; W1799-R1801 HydrophobicContact CZ3-CB 3.66Å; W1799-R1801 HydrophobicContact CZ3-CG 4Å; R1801-Q1803 PolarHBondContact O-N 3.46Å; R1801-E1827 IonicContact CZ-OE2 2.68Å; R1801-E1827 IonicContact NH1-OE2 2.79Å; R1801-E1827 PolarHBondContact NH1-OE2 3.3Å; R1801-E1827 IonicContact NH2-OE1 3.76Å; R1801-E1827 IonicContact NH2-OE2 3.85Å; R1801-E1827 PolarHBondContact NH2-OE2 3.12Å | ||
| 1802 | N | 57 | Low | 57.5 | Low | 101 Ų | 101 | 110.6 Ų | 110.6 | 54% | 0.54 | 53% | 0.531 | S | S | . | . | trans | -60.6 | 118.8 | 174.9 | -69.1 | -3.3 | 0 | 0 | 0 | 109.5 | R1800 V1804 | R1800-N1802 VanDerWaalsContact C-N 3.34Å; R1800-N1802 PolarHBondContact O-N 3.09Å; N1802-V1804 HydrophobicContact CB-CG2 4.22Å; N1802-V1804 PolarHBondContact O-N 3.07Å | ||
| 1803 | Q | 41.2 | Very low | 55 | Low | 170 Ų | 170 | 117.3 Ų | 117.3 | 79% | 0.794 | 57% | 0.571 | S | S | * | * | trans | -75.3 | 73.7 | 176.4 | -72.8 | -172.3 | -8.7 | 0 | 0 | 111.4 | R1801 | R1801-Q1803 PolarHBondContact O-N 3.46Š| ||
| 1804 | V | 40.6 | Very low | 52.3 | Low | 104 Ų | 104 | 124.7 Ų | 124.7 | 63% | 0.63 | 61% | 0.611 | S | S | * | * | trans | -91.6 | 119.9 | 171.5 | 179.9 | 0 | 0 | 0 | 0 | 108.4 | N1802 | N1802-V1804 HydrophobicContact CB-CG2 4.22Å; N1802-V1804 PolarHBondContact O-N 3.07Å | ||
| 1805 | Q | 33.4 | Very low | 49.9 | Very low | 169 Ų | 169 | 128.4 Ų | 128.4 | 79% | 0.79 | 65% | 0.65 | S | S | * | * | S | Bend | trans | 70.5 | 64.3 | 175.1 | -61.4 | 174.1 | 5.7 | 0 | 0 | 118.6 | ||
| 1806 | E | 35.5 | Very low | 47.2 | Very low | 185 Ų | 185 | 135 Ų | 135 | 86% | 0.864 | 69% | 0.69 | S | S | * | * | trans | -126.5 | 4.3 | 147.8 | -85.1 | -167.3 | 154.2 | 0 | 0 | 113.6 | E1808 | E1806-E1808 PolarHBondContact O-N 2.86Š| ||
| 1807 | K | 31.1 | Very low | 44.9 | Very low | 196 Ų | 196 | 139.8 Ų | 139.8 | 85% | 0.852 | 71% | 0.712 | S | S | * | * | trans | -89.9 | 15.7 | -170.9 | -76.5 | -170.8 | 174 | 179.3 | 0 | 116.5 | ||||
| 1808 | E | 34.1 | Very low | 42.6 | Very low | 192 Ų | 192 | 147.2 Ų | 147.2 | 90% | 0.897 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -111.2 | 42.5 | 177.4 | -65.1 | -162.2 | 147.6 | 0 | 0 | 113.3 | E1806 | E1806-E1808 PolarHBondContact O-N 2.86Š|
| 1809 | Q | 34 | Very low | 40.6 | Very low | 187 Ų | 187 | 147 Ų | 147 | 87% | 0.874 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -153.4 | 36.7 | 172.3 | -130.9 | 162.2 | 109.7 | 0 | 0 | 116.7 | ||
| 1810 | Q | 31.5 | Very low | 38.6 | Very low | 197 Ų | 197 | 154.2 Ų | 154.2 | 92% | 0.921 | 78% | 0.779 | S | S | * | * | trans | -141.9 | 115.1 | 166.8 | -108.5 | 164.7 | 45.6 | 0 | 0 | 112.1 | ||||
| 1811 | G | 34.3 | Very low | 37.1 | Very low | 75 Ų | 75 | 156.1 Ų | 156.1 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | -96.8 | 120.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1812 | N | 30.5 | Very low | 35.9 | Very low | 141 Ų | 141 | 154.6 Ų | 154.6 | 75% | 0.754 | 81% | 0.805 | S | S | * | * | trans | 56.9 | 83.2 | 137.3 | -168.3 | 31.6 | 0 | 0 | 0 | 118.5 | ||||
| 1813 | V | 40.2 | Very low | 35 | Very low | 141 Ų | 141 | 157.5 Ų | 157.5 | 86% | 0.855 | 82% | 0.821 | S | S | * | * | trans | -132.2 | 128.9 | 150.1 | -177.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1814 | N | 33.6 | Very low | 35.1 | Very low | 155 Ų | 155 | 156.3 Ų | 156.3 | 83% | 0.829 | 82% | 0.815 | S | S | * | * | trans | -82.2 | 132.2 | 176.8 | -67.4 | -56.8 | 0 | 0 | 0 | 110.9 | ||||
| 1815 | G | 37.8 | Very low | 35.5 | Very low | 79 Ų | 79 | 156.8 Ų | 156.8 | 81% | 0.814 | 82% | 0.823 | S | S | * | * | trans | -164.8 | 120.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1816 | T | 32.8 | Very low | 36.7 | Very low | 137 Ų | 137 | 151.9 Ų | 151.9 | 84% | 0.84 | 80% | 0.804 | S | S | * | * | trans | -79.5 | 129.4 | 178.7 | 45.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1817 | E | 35.7 | Very low | 38.1 | Very low | 193 Ų | 193 | 146.7 Ų | 146.7 | 90% | 0.902 | 78% | 0.78 | S | S | * | * | -168.6 | 176.3 | 129.8 | -108.4 | 161.2 | -153.5 | 0 | 0 | 112.2 | |||||
| 1818 | K | 32.7 | Very low | 39.5 | Very low | 190 Ų | 190 | 141.1 Ų | 141.1 | 83% | 0.826 | 76% | 0.763 | S | S | * | * | trans | -114.6 | 166.7 | -172.2 | -65.6 | 177.4 | 178.4 | 176.1 | 0 | 111.3 | ||||
| 1819 | E | 31.6 | Very low | 41.4 | Very low | 157 Ų | 157 | 133 Ų | 133 | 73% | 0.734 | 73% | 0.725 | S | S | * | * | trans | 71.4 | 144.4 | 173.5 | -43.6 | 176.4 | -172.7 | 0 | 0 | 113.8 | ||||
| 1820 | K | 34.5 | Very low | 43.8 | Very low | 176 Ų | 176 | 128.9 Ų | 128.9 | 77% | 0.765 | 71% | 0.706 | S | S | * | * | cis | -135.2 | 172.8 | 15.6 | -100.2 | 102.1 | 176.5 | 154.2 | 0 | 111.6 | ||||
| 1821 | H | 34.2 | Very low | 46.5 | Very low | 191 Ų | 191 | 119.7 Ų | 119.7 | 88% | 0.884 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 130.9 | 169 | -71 | -95.9 | 0 | 0 | 0 | 112.1 | ||
| 1822 | S | 38.1 | Very low | 49.2 | Very low | 110 Ų | 110 | 116.1 Ų | 116.1 | 77% | 0.769 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -102 | 125.4 | 167.3 | 56.4 | 0 | 0 | 0 | 0 | 110.2 | E1824 | S1822-E1824 PolarHBondContact O-N 3.26Š|
| 1823 | N | 36.7 | Very low | 52.1 | Low | 162 Ų | 162 | 109.4 Ų | 109.4 | 87% | 0.866 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 127.1 | -177 | -67.6 | -30.5 | 0 | 0 | 0 | 112.6 | S1825 | N1823-S1825 PolarHBondContact O-N 2.86Š|
| 1824 | E | 44.7 | Very low | 54.5 | Low | 146 Ų | 146 | 103.3 Ų | 103.3 | 68% | 0.682 | 55% | 0.552 | S | S | * | * | trans | -71.4 | 113.5 | 167.1 | -68.1 | -170.8 | 159.9 | 0 | 0 | 110.3 | R1800 S1822 V1826 | R1800-E1824 IonicContact NH1-OE2 3.43Å; R1800-E1824 PolarHBondContact NH1-OE2 3.1Å; S1822-E1824 PolarHBondContact O-N 3.26Å; E1824-V1826 PolarHBondContact O-N 3.28Å | ||
| 1825 | S | 49.5 | Very low | 57.3 | Low | 113 Ų | 113 | 96.2 Ų | 96.2 | 79% | 0.79 | 51% | 0.514 | S | S | * | . | trans | -76.9 | 107.3 | 175.8 | 47.6 | 0 | 0 | 0 | 0 | 111.5 | N1823 E1827 | N1823-S1825 PolarHBondContact O-N 2.86Å; S1825-E1827 PolarHBondContact O-N 3.23Å | ||
| 1826 | V | 57.8 | Low | 59.8 | Low | 66 Ų | 66 | 95.2 Ų | 95.2 | 40% | 0.4 | 49% | 0.492 | S | S | . | . | trans | -72.5 | 119.6 | 170.8 | -177.6 | 0 | 0 | 0 | 0 | 109.2 | K1798 R1800 E1824 | K1798-V1826 HydrophobicContact CB-CG1 4.07Å; R1800-V1826 HydrophobicContact CG-CG1 4.48Å; R1800-V1826 HydrophobicContact CG-CG2 4.25Å; E1824-V1826 PolarHBondContact O-N 3.28Å | ||
| 1827 | E | 64.6 | Low | 62.7 | Low | 76 Ų | 76 | 88.7 Ų | 88.7 | 36% | 0.355 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 122.7 | -178.7 | -158.5 | 171 | 143 | 0 | 0 | 109.8 | W1799 R1801 S1825 I1829 | W1799-E1827 PolarHBondContact N-O 3.04Å; W1799-E1827 PolarHBondContact O-N 3.4Å; R1801-E1827 IonicContact CZ-OE2 2.68Å; R1801-E1827 IonicContact NH1-OE2 2.79Å; R1801-E1827 PolarHBondContact NH1-OE2 3.3Å; R1801-E1827 IonicContact NH2-OE1 3.76Å; R1801-E1827 IonicContact NH2-OE2 3.85Å; R1801-E1827 PolarHBondContact NH2-OE2 3.12Å; S1825-E1827 PolarHBondContact O-N 3.23Å; E1827-I1829 HydrophobicContact CG-CD1 4.42Å; E1827-I1829 HydrophobicContact CG-CG1 4.13Å |
| 1828 | V | 60.5 | Low | 65.5 | Low | 80 Ų | 80 | 79.5 Ų | 79.5 | 49% | 0.485 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 101.1 | -177 | -177.1 | 0 | 0 | 0 | 0 | 108.8 | K1798 Q1830 | K1798-V1828 HydrophobicContact CG-CG2 4.33Å; V1828-Q1830 HydrophobicContact CG1-CG 4.13Å |
| 1829 | I | 74.8 | Confident | 68.5 | Low | 20 Ų | 20 | 72.6 Ų | 72.6 | 10% | 0.103 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 109.8 | -171.9 | -60.4 | 173.2 | 0 | 0 | 0 | 108.5 | P1753 I1795 H1796 R1797 W1799 E1827 | P1753-I1829 HydrophobicContact CB-CD1 3.44Å; P1753-I1829 VanDerWaalsContact CB-CD1 3.44Å; P1753-I1829 HydrophobicContact CG-CD1 4.39Å; I1795-I1829 HydrophobicContact CB-CG2 4.46Å; I1795-I1829 HydrophobicContact CG2-CG2 3.85Å; H1796-I1829 WeakPolarHBondContact CA-O 3.4Å; R1797-I1829 PolarHBondContact N-O 3.45Å; R1797-I1829 VanDerWaalsContact N-O 3.08Å; R1797-I1829 PolarHBondContact O-N 2.74Å; W1799-I1829 HydrophobicContact CB-CD1 4.48Å; W1799-I1829 HydrophobicContact CE3-CD1 4.43Å; E1827-I1829 HydrophobicContact CG-CD1 4.42Å; E1827-I1829 HydrophobicContact CG-CG1 4.13Å |
| 1830 | Q | 83.2 | Confident | 71.5 | Confident | 102 Ų | 102 | 68.2 Ų | 68.2 | 48% | 0.477 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 103.3 | -178 | -63.4 | -168.6 | 27.9 | 0 | 0 | 111.3 | F1138 I1795 V1828 | F1138-Q1830 HydrophobicContact CD2-CB 4.44Å; F1138-Q1830 HydrophobicContact CE2-CB 4.23Å; I1795-Q1830 WeakPolarHBondContact O-CA 3.12Å; V1828-Q1830 HydrophobicContact CG1-CG 4.13Å |
| 1831 | H | 88.6 | Confident | 74.5 | Confident | 4 Ų | 4 | 59.9 Ų | 59.9 | 2% | 0.019 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 162 | 177 | 59.8 | 93.7 | 0 | 0 | 0 | 111.1 | Y1135 E1136 F1138 G1794 I1795 D1837 | Y1135-H1831 HydrophobicContact CD1-CB 3.94Å; Y1135-H1831 AromaticContact CD1-CD2 3.63Å; Y1135-H1831 AromaticContact CD1-CG 3.57Å; Y1135-H1831 AromaticContact CD1-ND1 3.92Å; Y1135-H1831 AromaticContact CE1-CD2 3.67Å; Y1135-H1831 AromaticContact CE1-CE1 3.98Å; Y1135-H1831 AromaticContact CE1-NE2 3.68Å; E1136-H1831 CarbonylContact O-C 3.59Å; E1136-H1831 WeakPolarHBondContact O-CA 3.34Å; E1136-H1831 WeakPolarHBondContact O-CB 3.45Å; F1138-H1831 VanDerWaalsContact CZ-O 3.32Å; F1138-H1831 WeakPolarHBondContact CZ-O 3.46Å; G1794-H1831 CarbonylContact C-O 3.57Å; G1794-H1831 WeakPolarHBondContact CA-O 3.49Å; I1795-H1831 PolarHBondContact N-O 3.38Å; I1795-H1831 PolarHBondContact O-N 3.39Å; I1795-H1831 VanDerWaalsContact O-N 3.13Å; H1831-D1837 IonicContact CE1-OD1 3.19Å; H1831-D1837 IonicContact CE1-OD2 3.61Å; H1831-D1837 PolarHBondContact CE1-OD2 3.08Å; H1831-D1837 VanDerWaalsContact CE1-OD2 3.29Å; H1831-D1837 IonicContact ND1-OD2 2.92Å |
| 1832 | Q | 90.8 | Very high | 77.4 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 144.2 | 167.5 | -67.5 | -177.8 | 84.5 | 0 | 0 | 110.3 | E1136 P1137 F1138 R1482 C1793 | E1136-Q1832 HydrophobicContact CB-CB 4.48Å; E1136-Q1832 PolarHBondContact O-N 2.85Å; P1137-Q1832 PolarHBondContact O-NE2 3.33Å; F1138-Q1832 HydrophobicContact CD1-CG 3.99Å; F1138-Q1832 HydrophobicContact CE1-CG 4.36Å; R1482-Q1832 HydrophobicContact CG-CB 4.18Å; C1793-Q1832 VanDerWaalsContact O-CA 3.23Å; C1793-Q1832 WeakPolarHBondContact O-CA 3.4Å |
| 1833 | I | 90.9 | Very high | 80 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | trans | -79 | 133.2 | -172.1 | -169.2 | 168.8 | 0 | 0 | 0 | 110.3 | R1482 Y1531 C1793 I1795 D1837 L1838 | R1482-I1833 PolarHBondContact NH2-O 3.02Å; Y1531-I1833 WeakPolarHBondContact CE2-O 3.4Å; C1793-I1833 PolarHBondContact O-N 2.65Å; I1795-I1833 HydrophobicContact CD1-CD1 3.99Å; I1795-I1833 HydrophobicContact CD1-CG1 4.39Å; I1833-D1837 HydrophobicContact CG1-CB 4.05Å; I1833-L1838 HydrophobicContact CD1-CD1 4.47Å; I1833-L1838 HydrophobicContact CD1-CD2 3.58Å; I1833-L1838 HydrophobicContact CD1-CG 3.86Å; I1833-L1838 HydrophobicContact CG1-CD1 4.48Å; I1833-L1838 HydrophobicContact CG1-CD2 4.35Å; I1833-L1838 HydrophobicContact CG1-CG 4.08Å | ||
| 1834 | R | 91.5 | Very high | 82.8 | Confident | 12 Ų | 12 | 41 Ų | 41 | 5% | 0.045 | 22% | 0.223 | C | C | . | . | trans | -110 | 163.3 | -177.4 | -51.3 | 166.2 | -65.8 | -177.6 | 1.2 | 110.4 | S1132 I1133 N1134 Y1135 V1836 D1837 L1838 | S1132-R1834 WeakPolarHBondContact O-CD 3.35Å; I1133-R1834 PolarHBondContact O-NH1 3.31Å; N1134-R1834 WeakPolarHBondContact O-CD 3.33Å; Y1135-R1834 VanDerWaalsContact CE1-CZ 3.46Å; R1834-V1836 HydrophobicContact CB-CG1 3.92Å; R1834-V1836 PolarHBondContact O-N 3.42Å; R1834-D1837 WeakPolarHBondContact CA-OD2 3.26Å; R1834-D1837 VanDerWaalsContact CB-OD2 3.23Å; R1834-D1837 WeakPolarHBondContact CB-OD2 3.3Å; R1834-D1837 WeakPolarHBondContact CG-OD2 3.34Å; R1834-D1837 IonicContact CZ-OD1 2.8Å; R1834-D1837 IonicContact CZ-OD2 3.05Å; R1834-D1837 PolarHBondContact N-OD2 3.39Å; R1834-D1837 IonicContact NE-OD1 2.76Å; R1834-D1837 PolarHBondContact NE-OD1 2.91Å; R1834-D1837 IonicContact NE-OD2 2.72Å; R1834-D1837 PolarHBondContact NE-OD2 3.25Å; R1834-D1837 IonicContact NH2-OD1 3.86Å; R1834-D1837 PolarHBondContact NH2-OD1 2.9Å; R1834-D1837 IonicContact NH2-OD2 2.81Å; R1834-D1837 PolarHBondContact O-N 3.29Å; R1834-D1837 VanDerWaalsContact O-N 3.15Å; R1834-L1838 PolarHBondContact O-N 2.86Å | ||
| 1835 | P | 91.8 | Very high | 85.3 | Confident | 6 Ų | 6 | 34 Ų | 34 | 4% | 0.039 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.4 | -35 | 174.4 | -24.7 | 36.8 | 0 | 0 | 0 | 113 | Y1531 W1611 D1837 L1838 M1839 | Y1531-P1835 HydrophobicContact CD1-CG 3.68Å; Y1531-P1835 HydrophobicContact CD2-CG 3.84Å; Y1531-P1835 HydrophobicContact CE1-CG 3.96Å; Y1531-P1835 HydrophobicContact CE2-CG 4.13Å; Y1531-P1835 HydrophobicContact CG-CG 3.64Å; W1611-P1835 HydrophobicContact CD2-CB 3.87Å; W1611-P1835 HydrophobicContact CE3-CB 3.77Å; W1611-P1835 HydrophobicContact CG-CB 4.36Å; W1611-P1835 HydrophobicContact CZ3-CB 4.1Å; P1835-D1837 VanDerWaalsContact C-N 3.33Å; P1835-D1837 PolarHBondContact O-N 3.39Å; P1835-L1838 PolarHBondContact O-N 3.48Å; P1835-M1839 WeakPolarHBondContact O-CB 3.48Å; P1835-M1839 WeakPolarHBondContact O-CG 3.39Å; P1835-M1839 PolarHBondContact O-N 3.26Å |
| 1836 | V | 91.7 | Very high | 87.5 | Confident | 58 Ų | 58 | 28.6 Ų | 28.6 | 35% | 0.352 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -65.3 | -33.5 | 177.6 | 64.9 | 0 | 0 | 0 | 0 | 112.6 | R1834 N1840 | R1834-V1836 HydrophobicContact CB-CG1 3.92Å; R1834-V1836 PolarHBondContact O-N 3.42Å; V1836-N1840 WeakPolarHBondContact O-CB 3.5Å; V1836-N1840 PolarHBondContact O-N 3.4Å; V1836-N1840 PolarHBondContact O-ND2 3.26Å; V1836-N1840 VanDerWaalsContact O-ND2 3.17Å |
| 1837 | D | 93 | Very high | 89.1 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -67.9 | -42 | 176.8 | -55.1 | -47 | 0 | 0 | 0 | 111 | Y1754 H1831 I1833 R1834 P1835 N1840 F1841 | Y1754-D1837 HydrophobicContact CD1-CB 4.23Å; Y1754-D1837 HydrophobicContact CE1-CB 3.97Å; H1831-D1837 IonicContact CE1-OD1 3.19Å; H1831-D1837 IonicContact CE1-OD2 3.61Å; H1831-D1837 PolarHBondContact CE1-OD2 3.08Å; H1831-D1837 VanDerWaalsContact CE1-OD2 3.29Å; H1831-D1837 IonicContact ND1-OD2 2.92Å; I1833-D1837 HydrophobicContact CG1-CB 4.05Å; R1834-D1837 WeakPolarHBondContact CA-OD2 3.26Å; R1834-D1837 VanDerWaalsContact CB-OD2 3.23Å; R1834-D1837 WeakPolarHBondContact CB-OD2 3.3Å; R1834-D1837 WeakPolarHBondContact CG-OD2 3.34Å; R1834-D1837 IonicContact CZ-OD1 2.8Å; R1834-D1837 IonicContact CZ-OD2 3.05Å; R1834-D1837 PolarHBondContact N-OD2 3.39Å; R1834-D1837 IonicContact NE-OD1 2.76Å; R1834-D1837 PolarHBondContact NE-OD1 2.91Å; R1834-D1837 IonicContact NE-OD2 2.72Å; R1834-D1837 PolarHBondContact NE-OD2 3.25Å; R1834-D1837 IonicContact NH2-OD1 3.86Å; R1834-D1837 PolarHBondContact NH2-OD1 2.9Å; R1834-D1837 IonicContact NH2-OD2 2.81Å; R1834-D1837 PolarHBondContact O-N 3.29Å; R1834-D1837 VanDerWaalsContact O-N 3.15Å; P1835-D1837 VanDerWaalsContact C-N 3.33Å; P1835-D1837 PolarHBondContact O-N 3.39Å; D1837-N1840 PolarHBondContact O-N 3.35Å; D1837-F1841 PolarHBondContact O-N 2.99Å |
| 1838 | L | 95.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.4 | -45.6 | 176.7 | -67.7 | 163.1 | 0 | 0 | 0 | 111.2 | N1608 W1611 I1612 I1709 A1790 I1833 R1834 P1835 F1841 G1842 | N1608-L1838 HydrophobicContact CB-CD1 3.6Å; N1608-L1838 HydrophobicContact CB-CD2 3.9Å; N1608-L1838 HydrophobicContact CB-CG 4.43Å; W1611-L1838 HydrophobicContact CB-CB 3.83Å; W1611-L1838 HydrophobicContact CB-CD1 4Å; I1612-L1838 WeakPolarHBondContact CA-O 3.4Å; I1612-L1838 HydrophobicContact CD1-CD2 3.9Å; I1612-L1838 HydrophobicContact CG1-CB 3.94Å; I1612-L1838 HydrophobicContact CG1-CD2 3.78Å; I1612-L1838 HydrophobicContact CG1-CG 4.5Å; I1709-L1838 HydrophobicContact CD1-CD2 4.31Å; A1790-L1838 HydrophobicContact CB-CD2 3.97Å; I1833-L1838 HydrophobicContact CD1-CD1 4.47Å; I1833-L1838 HydrophobicContact CD1-CD2 3.58Å; I1833-L1838 HydrophobicContact CD1-CG 3.86Å; I1833-L1838 HydrophobicContact CG1-CD1 4.48Å; I1833-L1838 HydrophobicContact CG1-CD2 4.35Å; I1833-L1838 HydrophobicContact CG1-CG 4.08Å; R1834-L1838 PolarHBondContact O-N 2.86Å; P1835-L1838 PolarHBondContact O-N 3.48Å; L1838-F1841 PolarHBondContact O-N 2.94Å; L1838-G1842 PolarHBondContact O-N 2.86Å; L1838-G1842 VanDerWaalsContact O-N 3.08Å |
| 1839 | M | 95.2 | Very high | 92.2 | Very high | 45 Ų | 45 | 19.5 Ų | 19.5 | 22% | 0.222 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.8 | -42.2 | 175.7 | -71.8 | 176.2 | 62.3 | 0 | 0 | 112 | W1611 E1618 P1835 F1841 G1842 S1843 | W1611-M1839 HydrophobicContact CE3-CG 4.43Å; W1611-M1839 HydrophobicContact CE3-SD 3.99Å; W1611-M1839 HydrophobicContact CZ3-SD 4.31Å; W1611-M1839 WeakPolarHBondContact O-CG 3.47Å; E1618-M1839 WeakPolarHBondContact OE2-CE 3.46Å; P1835-M1839 WeakPolarHBondContact O-CB 3.48Å; P1835-M1839 WeakPolarHBondContact O-CG 3.39Å; P1835-M1839 PolarHBondContact O-N 3.26Å; M1839-F1841 VanDerWaalsContact C-N 3.35Å; M1839-F1841 PolarHBondContact O-N 2.88Å; M1839-G1842 WeakPolarHBondContact O-CA 3.19Å; M1839-G1842 PolarHBondContact O-N 3.46Å; M1839-G1842 VanDerWaalsContact O-N 3.12Å; M1839-S1843 PolarHBondContact O-N 3.34Å; M1839-S1843 VanDerWaalsContact O-N 3.14Å |
| 1840 | N | 94.3 | Very high | 93 | Very high | 66 Ų | 66 | 19.4 Ų | 19.4 | 35% | 0.353 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -62.5 | -39.8 | 175.2 | -75.1 | -22.1 | 0 | 0 | 0 | 111.9 | Y1754 V1836 D1837 G1842 S1843 Q1844 | Y1754-N1840 HydrophobicContact CE2-CB 3.71Å; Y1754-N1840 PolarHBondContact OH-ND2 3.09Å; V1836-N1840 WeakPolarHBondContact O-CB 3.5Å; V1836-N1840 PolarHBondContact O-N 3.4Å; V1836-N1840 PolarHBondContact O-ND2 3.26Å; V1836-N1840 VanDerWaalsContact O-ND2 3.17Å; D1837-N1840 PolarHBondContact O-N 3.35Å; N1840-G1842 VanDerWaalsContact C-N 3.31Å; N1840-G1842 PolarHBondContact O-N 3.5Å; N1840-S1843 PolarHBondContact O-N 3.34Å; N1840-Q1844 WeakPolarHBondContact O-CB 3.4Å; N1840-Q1844 VanDerWaalsContact O-CG 3.31Å; N1840-Q1844 WeakPolarHBondContact O-CG 3.23Å; N1840-Q1844 PolarHBondContact O-N 3.25Å |
| 1841 | F | 96.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -60.8 | -39.7 | 172.1 | 178.5 | -97 | 0 | 0 | 0 | 111.9 | I1612 I1709 L1748 Y1754 F1755 I1788 D1837 L1838 M1839 S1843 Q1844 L1845 | I1612-F1841 HydrophobicContact CD1-CD1 4.02Å; I1612-F1841 HydrophobicContact CD1-CE1 4.47Å; I1612-F1841 HydrophobicContact CG1-CD1 4.2Å; I1612-F1841 HydrophobicContact CG2-CD1 3.87Å; I1612-F1841 HydrophobicContact CG2-CE1 4.35Å; I1709-F1841 HydrophobicContact CB-CE2 4.44Å; I1709-F1841 HydrophobicContact CD1-CB 3.74Å; I1709-F1841 HydrophobicContact CD1-CD1 3.94Å; I1709-F1841 HydrophobicContact CD1-CD2 3.89Å; I1709-F1841 HydrophobicContact CD1-CG 3.55Å; I1709-F1841 HydrophobicContact CG2-CD1 4.22Å; I1709-F1841 HydrophobicContact CG2-CD2 4.32Å; I1709-F1841 HydrophobicContact CG2-CE1 3.85Å; I1709-F1841 HydrophobicContact CG2-CE2 3.95Å; I1709-F1841 HydrophobicContact CG2-CG 4.45Å; I1709-F1841 HydrophobicContact CG2-CZ 3.7Å; L1748-F1841 HydrophobicContact CD1-CZ 4.43Å; L1748-F1841 HydrophobicContact CD2-CE2 4.1Å; L1748-F1841 HydrophobicContact CD2-CZ 4.39Å; Y1754-F1841 HydrophobicContact CD2-CB 4.08Å; F1755-F1841 HydrophobicContact CB-CE2 4.18Å; F1755-F1841 AromaticContact CD2-CE2 3.88Å; F1755-F1841 HydrophobicContact CD2-CE2 3.88Å; F1755-F1841 HydrophobicContact CD2-CZ 4.19Å; F1755-F1841 HydrophobicContact CG-CE2 4.47Å; I1788-F1841 HydrophobicContact CD1-CE1 4.35Å; I1788-F1841 HydrophobicContact CD1-CZ 4.28Å; I1788-F1841 HydrophobicContact CG2-CE1 4Å; I1788-F1841 HydrophobicContact CG2-CZ 4.29Å; D1837-F1841 PolarHBondContact O-N 2.99Å; L1838-F1841 PolarHBondContact O-N 2.94Å; M1839-F1841 VanDerWaalsContact C-N 3.35Å; M1839-F1841 PolarHBondContact O-N 2.88Å; F1841-S1843 VanDerWaalsContact C-N 3.35Å; F1841-S1843 PolarHBondContact O-N 3.43Å; F1841-Q1844 PolarHBondContact O-N 3.38Å; F1841-L1845 HydrophobicContact CE1-CD2 4.37Å; F1841-L1845 WeakPolarHBondContact O-CB 3.4Å; F1841-L1845 PolarHBondContact O-N 3.21Å |
| 1842 | G | 96.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -57.9 | -42.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L1838 M1839 N1840 L1846 | L1838-G1842 PolarHBondContact O-N 2.86Å; L1838-G1842 VanDerWaalsContact O-N 3.08Å; M1839-G1842 WeakPolarHBondContact O-CA 3.19Å; M1839-G1842 PolarHBondContact O-N 3.46Å; M1839-G1842 VanDerWaalsContact O-N 3.12Å; N1840-G1842 VanDerWaalsContact C-N 3.31Å; N1840-G1842 PolarHBondContact O-N 3.5Å; G1842-L1846 PolarHBondContact O-N 3.41Å |
| 1843 | S | 93.5 | Very high | 92.9 | Very high | 23 Ų | 23 | 17.4 Ų | 17.4 | 16% | 0.161 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -70.5 | -39.3 | 174.8 | 179.3 | 0 | 0 | 0 | 0 | 113 | Q1619 M1839 N1840 F1841 L1845 L1846 N1847 | Q1619-S1843 VanDerWaalsContact CD-OG 3.22Å; Q1619-S1843 WeakPolarHBondContact CG-OG 3.45Å; Q1619-S1843 PolarHBondContact OE1-OG 3.17Å; M1839-S1843 PolarHBondContact O-N 3.34Å; M1839-S1843 VanDerWaalsContact O-N 3.14Å; N1840-S1843 PolarHBondContact O-N 3.34Å; F1841-S1843 VanDerWaalsContact C-N 3.35Å; F1841-S1843 PolarHBondContact O-N 3.43Å; S1843-L1845 VanDerWaalsContact C-N 3.3Å; S1843-L1845 PolarHBondContact O-N 3.23Å; S1843-L1846 PolarHBondContact O-N 3.13Å; S1843-N1847 PolarHBondContact O-N 3.19Å; S1843-N1847 PolarHBondContact O-ND2 3.01Å |
| 1844 | Q | 94.6 | Very high | 92.2 | Very high | 43 Ų | 43 | 22.1 Ų | 22.1 | 20% | 0.201 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.7 | -32.8 | 174.7 | -72.9 | 167.6 | -9.6 | 0 | 0 | 112.3 | S1752 N1840 F1841 N1847 A1848 | S1752-Q1844 PolarHBondContact OG-OE1 2.89Å; N1840-Q1844 WeakPolarHBondContact O-CB 3.4Å; N1840-Q1844 VanDerWaalsContact O-CG 3.31Å; N1840-Q1844 WeakPolarHBondContact O-CG 3.23Å; N1840-Q1844 PolarHBondContact O-N 3.25Å; F1841-Q1844 PolarHBondContact O-N 3.38Å; Q1844-N1847 WeakPolarHBondContact O-CB 3.44Å; Q1844-N1847 PolarHBondContact O-N 3.15Å; Q1844-A1848 PolarHBondContact O-N 3.08Å |
| 1845 | L | 96.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.6 | -35 | 176.6 | -177.4 | 60.8 | 0 | 0 | 0 | 112.8 | L1616 I1698 F1700 L1744 L1748 I1788 F1841 S1843 A1848 F1849 | L1616-L1845 HydrophobicContact CD1-CD2 4.2Å; I1698-L1845 HydrophobicContact CD1-CD1 4.44Å; I1698-L1845 HydrophobicContact CD1-CD2 4.2Å; F1700-L1845 HydrophobicContact CE1-CD2 3.67Å; F1700-L1845 HydrophobicContact CZ-CD2 3.5Å; L1744-L1845 HydrophobicContact CD1-CD1 4.25Å; L1748-L1845 HydrophobicContact CD1-CD1 3.92Å; L1748-L1845 HydrophobicContact CD2-CD1 3.93Å; L1748-L1845 HydrophobicContact CG-CD1 4.4Å; I1788-L1845 HydrophobicContact CD1-CD1 4.34Å; I1788-L1845 HydrophobicContact CD1-CD2 4.07Å; F1841-L1845 HydrophobicContact CE1-CD2 4.37Å; F1841-L1845 WeakPolarHBondContact O-CB 3.4Å; F1841-L1845 PolarHBondContact O-N 3.21Å; S1843-L1845 VanDerWaalsContact C-N 3.3Å; S1843-L1845 PolarHBondContact O-N 3.23Å; L1845-A1848 WeakPolarHBondContact O-CB 3.37Å; L1845-A1848 PolarHBondContact O-N 2.9Å; L1845-F1849 HydrophobicContact CD1-CD1 4.34Å; L1845-F1849 HydrophobicContact CD1-CE1 3.64Å; L1845-F1849 HydrophobicContact CD1-CZ 3.86Å; L1845-F1849 HydrophobicContact CD2-CZ 4Å; L1845-F1849 HydrophobicContact CG-CE1 3.91Å; L1845-F1849 HydrophobicContact CG-CE2 4.09Å; L1845-F1849 HydrophobicContact CG-CZ 3.6Å; L1845-F1849 WeakPolarHBondContact O-CG 3.35Å; L1845-F1849 PolarHBondContact O-N 3.44Å |
| 1846 | L | 95.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.5 | -41 | 171.9 | -65.4 | 177.1 | 0 | 0 | 0 | 111.9 | L1616 Q1619 L1620 M1628 L1631 F1637 G1842 S1843 A1848 F1849 L1850 | L1616-L1846 HydrophobicContact CD1-CD2 4.13Å; L1616-L1846 HydrophobicContact CD1-CG 4.41Å; L1616-L1846 HydrophobicContact CD2-CD2 4.05Å; L1616-L1846 HydrophobicContact CG-CD1 4.16Å; L1616-L1846 HydrophobicContact CG-CD2 3.79Å; L1616-L1846 HydrophobicContact CG-CG 3.92Å; L1616-L1846 WeakPolarHBondContact O-CD1 3.19Å; Q1619-L1846 HydrophobicContact CB-CD1 3.93Å; Q1619-L1846 HydrophobicContact CG-CD1 4.04Å; L1620-L1846 HydrophobicContact CB-CD1 3.91Å; L1620-L1846 HydrophobicContact CD1-CD1 4.34Å; L1620-L1846 HydrophobicContact CD1-CD2 4.4Å; M1628-L1846 HydrophobicContact CE-CB 3.95Å; M1628-L1846 HydrophobicContact SD-CB 3.85Å; M1628-L1846 HydrophobicContact SD-CD1 3.59Å; M1628-L1846 VanDerWaalsContact SD-CD1 3.59Å; M1628-L1846 HydrophobicContact SD-CG 4.35Å; L1631-L1846 HydrophobicContact CD2-CB 3.73Å; L1631-L1846 HydrophobicContact CD2-CD2 3.84Å; L1631-L1846 HydrophobicContact CD2-CG 4.29Å; F1637-L1846 HydrophobicContact CE1-CD2 3.92Å; F1637-L1846 HydrophobicContact CZ-CD2 4.14Å; G1842-L1846 PolarHBondContact O-N 3.41Å; S1843-L1846 PolarHBondContact O-N 3.13Å; L1846-A1848 VanDerWaalsContact C-N 3.26Å; L1846-A1848 PolarHBondContact O-N 3.17Å; L1846-F1849 HydrophobicContact CD2-CD2 4.01Å; L1846-F1849 HydrophobicContact CD2-CE2 4.22Å; L1846-F1849 PolarHBondContact O-N 2.76Å; L1846-L1850 PolarHBondContact O-N 2.99Å |
| 1847 | N | 92.5 | Very high | 87 | Confident | 31 Ų | 31 | 28.4 Ų | 28.4 | 17% | 0.166 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62 | -36.2 | 172.3 | -77.1 | -93.4 | 0 | 0 | 0 | 111.4 | K1627 L1751 S1843 Q1844 L1850 L1851 | K1627-N1847 VanDerWaalsContact CD-OD1 3.28Å; K1627-N1847 WeakPolarHBondContact CD-OD1 3.47Å; L1751-N1847 HydrophobicContact CD1-CB 3.97Å; S1843-N1847 PolarHBondContact O-N 3.19Å; S1843-N1847 PolarHBondContact O-ND2 3.01Å; Q1844-N1847 WeakPolarHBondContact O-CB 3.44Å; Q1844-N1847 PolarHBondContact O-N 3.15Å; N1847-L1850 PolarHBondContact O-N 3.01Å; N1847-L1851 PolarHBondContact O-N 2.99Å |
| 1848 | A | 94.9 | Very high | 84.3 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67 | -36.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1744 I1747 L1748 L1751 Q1844 L1845 L1846 L1850 L1852 | L1744-A1848 HydrophobicContact CD1-CB 3.82Å; I1747-A1848 HydrophobicContact CG2-CB 3.74Å; L1748-A1848 HydrophobicContact CD2-CB 3.71Å; L1748-A1848 HydrophobicContact CG-CB 4.03Å; L1751-A1848 HydrophobicContact CD1-CB 3.99Å; Q1844-A1848 PolarHBondContact O-N 3.08Å; L1845-A1848 WeakPolarHBondContact O-CB 3.37Å; L1845-A1848 PolarHBondContact O-N 2.9Å; L1846-A1848 VanDerWaalsContact C-N 3.26Å; L1846-A1848 PolarHBondContact O-N 3.17Å; A1848-L1850 VanDerWaalsContact C-N 3.32Å; A1848-L1850 PolarHBondContact O-N 3.48Å; A1848-L1852 WeakPolarHBondContact O-CB 3.46Å; A1848-L1852 PolarHBondContact O-N 3.43Å |
| 1849 | F | 95.1 | Very high | 81.4 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.9 | -34.4 | 174.4 | -61.9 | -26.2 | 0 | 0 | 0 | 112.9 | I1596 L1598 L1631 F1637 I1696 I1698 L1744 L1845 L1846 S1853 | I1596-F1849 HydrophobicContact CD1-CB 4.34Å; I1596-F1849 HydrophobicContact CD1-CD2 4.02Å; I1596-F1849 HydrophobicContact CD1-CG 4.18Å; I1596-F1849 HydrophobicContact CG2-CE2 4.15Å; I1596-F1849 HydrophobicContact CG2-CZ 4.4Å; L1598-F1849 HydrophobicContact CD2-CZ 4.23Å; L1631-F1849 HydrophobicContact CD1-CB 3.95Å; F1637-F1849 AromaticContact CE1-CD2 3.93Å; F1637-F1849 HydrophobicContact CE1-CD2 3.93Å; F1637-F1849 HydrophobicContact CE1-CE2 4.09Å; F1637-F1849 HydrophobicContact CZ-CD2 4.33Å; I1696-F1849 HydrophobicContact CD1-CD1 3.59Å; I1696-F1849 HydrophobicContact CD1-CE1 3.82Å; I1696-F1849 HydrophobicContact CD1-CG 4.3Å; I1696-F1849 HydrophobicContact CG2-CE1 4.34Å; I1698-F1849 HydrophobicContact CD1-CE1 3.89Å; I1698-F1849 HydrophobicContact CD1-CZ 3.73Å; L1744-F1849 HydrophobicContact CD1-CD1 4.14Å; L1744-F1849 HydrophobicContact CD1-CE1 4.27Å; L1744-F1849 HydrophobicContact CD2-CE1 4.22Å; L1845-F1849 HydrophobicContact CD1-CD1 4.34Å; L1845-F1849 HydrophobicContact CD1-CE1 3.64Å; L1845-F1849 HydrophobicContact CD1-CZ 3.86Å; L1845-F1849 HydrophobicContact CD2-CZ 4Å; L1845-F1849 HydrophobicContact CG-CE1 3.91Å; L1845-F1849 HydrophobicContact CG-CE2 4.09Å; L1845-F1849 HydrophobicContact CG-CZ 3.6Å; L1845-F1849 WeakPolarHBondContact O-CG 3.35Å; L1845-F1849 PolarHBondContact O-N 3.44Å; L1846-F1849 HydrophobicContact CD2-CD2 4.01Å; L1846-F1849 HydrophobicContact CD2-CE2 4.22Å; L1846-F1849 PolarHBondContact O-N 2.76Å; F1849-S1853 PolarHBondContact O-N 2.85Å |
| 1850 | L | 91.5 | Very high | 78.5 | Confident | 17 Ų | 17 | 38.1 Ų | 38.1 | 9% | 0.089 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.6 | -57 | 175.5 | -173.7 | 62.6 | 0 | 0 | 0 | 110.7 | K1627 L1631 M1634 L1846 N1847 A1848 L1852 S1853 E1854 | K1627-L1850 HydrophobicContact CB-CD2 3.82Å; K1627-L1850 HydrophobicContact CD-CD2 4.31Å; K1627-L1850 HydrophobicContact CG-CD2 4.01Å; L1631-L1850 HydrophobicContact CD1-CB 4.18Å; M1634-L1850 HydrophobicContact SD-CD1 3.9Å; L1846-L1850 PolarHBondContact O-N 2.99Å; N1847-L1850 PolarHBondContact O-N 3.01Å; A1848-L1850 VanDerWaalsContact C-N 3.32Å; A1848-L1850 PolarHBondContact O-N 3.48Å; L1850-L1852 VanDerWaalsContact C-N 3.29Å; L1850-L1852 PolarHBondContact O-N 3.33Å; L1850-S1853 WeakPolarHBondContact O-CB 3.34Å; L1850-S1853 PolarHBondContact O-N 3.32Å; L1850-S1853 PolarHBondContact O-OG 3.12Å; L1850-E1854 PolarHBondContact O-N 3.37Å |
| 1851 | L | 90.9 | Very high | 75.4 | Confident | 58 Ų | 58 | 38.8 Ų | 38.8 | 30% | 0.304 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59.4 | -37.9 | 179.9 | -62.9 | -176.5 | 0 | 0 | 0 | 112.9 | I1747 L1751 N1847 S1853 E1854 E1855 | I1747-L1851 HydrophobicContact CD1-CB 4.32Å; I1747-L1851 HydrophobicContact CG2-CB 4.21Å; I1747-L1851 HydrophobicContact CG2-CD1 4.06Å; L1751-L1851 HydrophobicContact CD1-CD1 4.04Å; L1751-L1851 HydrophobicContact CD2-CD1 4.12Å; L1751-L1851 HydrophobicContact CG-CD1 4.34Å; N1847-L1851 PolarHBondContact O-N 2.99Å; L1851-S1853 PolarHBondContact O-N 3.25Å; L1851-S1853 VanDerWaalsContact O-N 3.17Å; L1851-E1854 WeakPolarHBondContact CD2-OE2 3.4Å; L1851-E1854 PolarHBondContact O-N 3.35Å; L1851-E1854 VanDerWaalsContact O-N 3.12Å; L1851-E1855 PolarHBondContact O-N 3.16Å; L1851-E1855 VanDerWaalsContact O-N 3.07Å |
| 1852 | L | 90.2 | Very high | 72.3 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60 | -26.3 | 177 | -179.2 | 63.5 | 0 | 0 | 0 | 112.9 | Y1695 I1696 L1743 L1744 I1747 A1848 L1850 T1856 | Y1695-L1852 HydrophobicContact CE1-CD2 4.48Å; Y1695-L1852 PolarHBondContact OH-O 3.47Å; I1696-L1852 HydrophobicContact CD1-CD2 3.8Å; L1743-L1852 HydrophobicContact CB-CD1 3.89Å; L1743-L1852 HydrophobicContact CD2-CD1 3.85Å; L1743-L1852 HydrophobicContact CG-CD1 3.88Å; L1744-L1852 HydrophobicContact CB-CD2 4.23Å; L1744-L1852 HydrophobicContact CD1-CD2 4.21Å; I1747-L1852 HydrophobicContact CD1-CB 3.75Å; I1747-L1852 HydrophobicContact CD1-CD1 4.08Å; A1848-L1852 WeakPolarHBondContact O-CB 3.46Å; A1848-L1852 PolarHBondContact O-N 3.43Å; L1850-L1852 VanDerWaalsContact C-N 3.29Å; L1850-L1852 PolarHBondContact O-N 3.33Å; L1852-T1856 WeakPolarHBondContact O-CG2 3.44Å |
| 1853 | S | 80.6 | Confident | 69.2 | Low | 7 Ų | 7 | 52.6 Ų | 52.6 | 5% | 0.049 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -80.7 | -39.7 | 175.1 | 74.5 | 0 | 0 | 0 | 0 | 112.3 | M1634 F1849 L1850 L1851 E1855 T1856 T1857 | M1634-S1853 WeakPolarHBondContact CE-OG 3.5Å; F1849-S1853 PolarHBondContact O-N 2.85Å; L1850-S1853 WeakPolarHBondContact O-CB 3.34Å; L1850-S1853 PolarHBondContact O-N 3.32Å; L1850-S1853 PolarHBondContact O-OG 3.12Å; L1851-S1853 PolarHBondContact O-N 3.25Å; L1851-S1853 VanDerWaalsContact O-N 3.17Å; S1853-E1855 PolarHBondContact O-N 2.71Å; S1853-T1856 PolarHBondContact O-N 2.95Å; S1853-T1856 PolarHBondContact O-OG1 3.36Å; S1853-T1857 PolarHBondContact O-N 3.12Å |
| 1854 | E | 74.2 | Confident | 66.2 | Low | 98 Ų | 98 | 56.6 Ų | 56.6 | 46% | 0.458 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.6 | -44.2 | 177.4 | -62.9 | 174 | -173.5 | 0 | 0 | 111.6 | L1850 L1851 T1856 T1857 S1858 | L1850-E1854 PolarHBondContact O-N 3.37Å; L1851-E1854 WeakPolarHBondContact CD2-OE2 3.4Å; L1851-E1854 PolarHBondContact O-N 3.35Å; L1851-E1854 VanDerWaalsContact O-N 3.12Å; E1854-T1856 VanDerWaalsContact C-N 3.28Å; E1854-T1856 PolarHBondContact O-N 3.46Å; E1854-T1857 PolarHBondContact O-N 3.27Å; E1854-T1857 PolarHBondContact O-OG1 3.15Å; E1854-S1858 PolarHBondContact O-N 3.19Å; E1854-S1858 VanDerWaalsContact O-N 3.12Å |
| 1855 | E | 61.3 | Low | 63.1 | Low | 78 Ų | 78 | 60.3 Ų | 60.3 | 36% | 0.364 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64 | -33.7 | 178.1 | -69.5 | -170 | 123.7 | 0 | 0 | 112.4 | L1743 L1851 S1853 S1858 N1859 | L1743-E1855 VanDerWaalsContact CD1-OE2 3.3Å; L1743-E1855 WeakPolarHBondContact CD1-OE2 3.4Å; L1743-E1855 HydrophobicContact CD2-CB 4.15Å; L1743-E1855 WeakPolarHBondContact CD2-OE2 3.46Å; L1743-E1855 WeakPolarHBondContact CG-OE2 3.42Å; L1851-E1855 PolarHBondContact O-N 3.16Å; L1851-E1855 VanDerWaalsContact O-N 3.07Å; S1853-E1855 PolarHBondContact O-N 2.71Å; E1855-S1858 PolarHBondContact O-N 3.14Å; E1855-S1858 PolarHBondContact O-OG 3.23Å; E1855-N1859 PolarHBondContact O-ND2 2.91Å; E1855-N1859 VanDerWaalsContact O-ND2 3.17Å |
| 1856 | T | 58.3 | Low | 60 | Low | 46 Ų | 46 | 64.4 Ų | 64.4 | 28% | 0.282 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -69.9 | -29.9 | 177.3 | 55.9 | 0 | 0 | 0 | 0 | 114.1 | L1852 S1853 E1854 | L1852-T1856 WeakPolarHBondContact O-CG2 3.44Å; S1853-T1856 PolarHBondContact O-N 2.95Å; S1853-T1856 PolarHBondContact O-OG1 3.36Å; E1854-T1856 VanDerWaalsContact C-N 3.28Å; E1854-T1856 PolarHBondContact O-N 3.46Å |
| 1857 | T | 47.5 | Very low | 56.8 | Low | 84 Ų | 84 | 73.2 Ų | 73.2 | 52% | 0.515 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -81.9 | -26.4 | 174.6 | 62.5 | 0 | 0 | 0 | 0 | 112.5 | S1853 E1854 N1859 T1860 S1861 | S1853-T1857 PolarHBondContact O-N 3.12Å; E1854-T1857 PolarHBondContact O-N 3.27Å; E1854-T1857 PolarHBondContact O-OG1 3.15Å; T1857-N1859 VanDerWaalsContact C-N 3.34Å; T1857-N1859 PolarHBondContact O-N 3.07Å; T1857-T1860 PolarHBondContact O-OG1 3.33Å; T1857-S1861 WeakPolarHBondContact O-CB 3.21Å; T1857-S1861 PolarHBondContact O-N 3.35Å; T1857-S1861 PolarHBondContact O-OG 3.33Å |
| 1858 | S | 36 | Very low | 53.8 | Low | 49 Ų | 49 | 77.5 Ų | 77.5 | 34% | 0.343 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.7 | -35.2 | 177.5 | 81 | 0 | 0 | 0 | 0 | 113.4 | E1854 E1855 | E1854-S1858 PolarHBondContact O-N 3.19Å; E1854-S1858 VanDerWaalsContact O-N 3.12Å; E1855-S1858 PolarHBondContact O-N 3.14Å; E1855-S1858 PolarHBondContact O-OG 3.23Å |
| 1859 | N | 34.2 | Very low | 50.9 | Low | 109 Ų | 109 | 82.6 Ų | 82.6 | 58% | 0.583 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -82.1 | -31 | -175.5 | -77.2 | -55.9 | 0 | 0 | 0 | 113.4 | E1855 T1857 | E1855-N1859 PolarHBondContact O-ND2 2.91Å; E1855-N1859 VanDerWaalsContact O-ND2 3.17Å; T1857-N1859 VanDerWaalsContact C-N 3.34Å; T1857-N1859 PolarHBondContact O-N 3.07Å |
| 1860 | T | 33.6 | Very low | 47.8 | Very low | 92 Ų | 92 | 88 Ų | 88 | 56% | 0.564 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -68.9 | -40 | 170.3 | 48.6 | 0 | 0 | 0 | 0 | 111.2 | T1857 K1862 T1863 | T1857-T1860 PolarHBondContact O-OG1 3.33Å; T1860-K1862 VanDerWaalsContact C-N 3.3Å; T1860-K1862 PolarHBondContact O-N 2.85Å; T1860-T1863 PolarHBondContact O-N 2.82Å |
| 1861 | S | 29.7 | Very low | 45 | Very low | 80 Ų | 80 | 93 Ų | 93 | 56% | 0.559 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -61.9 | -29.4 | -175.9 | -60.4 | 0 | 0 | 0 | 0 | 114.6 | T1857 T1863 | T1857-S1861 WeakPolarHBondContact O-CB 3.21Å; T1857-S1861 PolarHBondContact O-N 3.35Å; T1857-S1861 PolarHBondContact O-OG 3.33Å; S1861-T1863 PolarHBondContact O-N 3.36Å |
| 1862 | K | 31.2 | Very low | 42 | Very low | 173 Ų | 173 | 95.5 Ų | 95.5 | 75% | 0.752 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -2.2 | -179.5 | -74.8 | 176.4 | 180 | 168.8 | 0 | 115 | T1860 | T1860-K1862 VanDerWaalsContact C-N 3.3Å; T1860-K1862 PolarHBondContact O-N 2.85Å |
| 1863 | T | 30.6 | Very low | 39 | Very low | 117 Ų | 117 | 103 Ų | 103 | 72% | 0.718 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.9 | 2.8 | -178.1 | -29.8 | 0 | 0 | 0 | 0 | 113.5 | T1860 S1861 | T1860-T1863 PolarHBondContact O-N 2.82Å; S1861-T1863 PolarHBondContact O-N 3.36Å |
| 1864 | V | 32.2 | Very low | 36.5 | Very low | 106 Ų | 106 | 110.8 Ų | 110.8 | 64% | 0.642 | 66% | 0.655 | S | S | * | * | trans | -130.7 | 42.1 | -172.4 | -159.9 | 0 | 0 | 0 | 0 | 111.9 | S1866 | V1864-S1866 PolarHBondContact O-N 2.82Š| ||
| 1865 | S | 29.2 | Very low | 34.4 | Very low | 122 Ų | 122 | 111.9 Ų | 111.9 | 85% | 0.853 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -85.1 | 13 | 173.3 | 51.7 | 0 | 0 | 0 | 0 | 113.9 | ||
| 1866 | S | 29.6 | Very low | 32.8 | Very low | 86 Ų | 86 | 113.2 Ų | 113.2 | 60% | 0.601 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -135.6 | 146.6 | 172.2 | 62.6 | 0 | 0 | 0 | 0 | 110.3 | V1864 | V1864-S1866 PolarHBondContact O-N 2.82Š|
| 1867 | M | 30 | Very low | 31.5 | Very low | 185 Ų | 185 | 117.2 Ų | 117.2 | 91% | 0.911 | 72% | 0.717 | S | S | * | * | trans | 79.4 | 64 | -177.4 | -53.3 | -172.2 | 66.8 | 0 | 0 | 116.2 | ||||
| 1868 | S | 29 | Very low | 30.7 | Very low | 121 Ų | 121 | 117.6 Ų | 117.6 | 85% | 0.846 | 73% | 0.728 | S | S | * | * | trans | -79.2 | 107.2 | 158.8 | 55.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1869 | S | 33.5 | Very low | 30.4 | Very low | 106 Ų | 106 | 120.2 Ų | 120.2 | 74% | 0.741 | 75% | 0.747 | S | S | * | * | trans | -179.3 | 127.4 | 148.8 | 56.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 1870 | S | 29.4 | Very low | 30.1 | Very low | 115 Ų | 115 | 121.7 Ų | 121.7 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | 67.3 | 134.4 | 149.9 | -51.6 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1871 | P | 32.8 | Very low | 29.8 | Very low | 122 Ų | 122 | 127.1 Ų | 127.1 | 79% | 0.792 | 77% | 0.765 | S | S | * | * | trans | -93.9 | -179.8 | 176.1 | 38.6 | -36.7 | 0 | 0 | 0 | 114.1 | ||||
| 1872 | S | 28 | Very low | 29.7 | Very low | 110 Ų | 110 | 129.7 Ų | 129.7 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | 100.2 | 154.8 | 164.8 | 80.3 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1873 | L | 27.8 | Very low | 29.5 | Very low | 157 Ų | 157 | 127 Ų | 127 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | trans | 90.9 | 146.8 | 170.6 | -59.1 | 169.4 | 0 | 0 | 0 | 119.7 | ||||
| 1874 | M | 28.8 | Very low | 29.4 | Very low | 171 Ų | 171 | 126.9 Ų | 126.9 | 84% | 0.842 | 78% | 0.775 | S | S | * | * | trans | 67 | 89.2 | 171.8 | -43.2 | -155 | 87.5 | 0 | 0 | 115.1 | ||||
| 1875 | T | 28.7 | Very low | 29.2 | Very low | 120 Ų | 120 | 127.4 Ų | 127.4 | 74% | 0.736 | 78% | 0.783 | S | S | * | * | cis | 60.9 | 101.1 | 41.7 | 81.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1876 | S | 28.5 | Very low | 29.3 | Very low | 107 Ų | 107 | 126.9 Ų | 126.9 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | 54 | 119 | 146.5 | 63.9 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1877 | S | 31.9 | Very low | 29.3 | Very low | 129 Ų | 129 | 131.7 Ų | 131.7 | 90% | 0.902 | 79% | 0.79 | S | S | * | * | -168.7 | 155.8 | 121.6 | -86.1 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 1878 | A | 30.9 | Very low | 29.3 | Very low | 92 Ų | 92 | 133.3 Ų | 133.3 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | trans | -122.3 | 170.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1879 | S | 28.8 | Very low | 29.3 | Very low | 105 Ų | 105 | 133.7 Ų | 133.7 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | trans | 112.7 | 125.2 | 141 | 85.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 1880 | L | 27.2 | Very low | 28.9 | Very low | 139 Ų | 139 | 134 Ų | 134 | 73% | 0.728 | 79% | 0.789 | S | S | * | * | trans | 74.7 | 107.9 | 135.8 | -60.7 | 163.2 | 0 | 0 | 0 | 122.6 | ||||
| 1881 | Y | 27.6 | Very low | 28.8 | Very low | 206 Ų | 206 | 133.8 Ų | 133.8 | 81% | 0.808 | 79% | 0.787 | S | S | * | * | trans | 74.9 | 153.4 | 134.3 | -79.8 | -74.8 | 0 | 0 | 0 | 124.6 | ||||
| 1882 | N | 27.6 | Very low | 28.5 | Very low | 134 Ų | 134 | 132.9 Ų | 132.9 | 72% | 0.717 | 78% | 0.784 | S | S | * | * | trans | 76.5 | 100.6 | 155.1 | -71.6 | 2.2 | 0 | 0 | 0 | 121.9 | ||||
| 1883 | V | 27.4 | Very low | 28.6 | Very low | 117 Ų | 117 | 135.4 Ų | 135.4 | 71% | 0.709 | 79% | 0.788 | S | S | * | * | 27.7 | 105.6 | 113.1 | -173.2 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 1884 | S | 29 | Very low | 28.4 | Very low | 115 Ų | 115 | 132.3 Ų | 132.3 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | -177.5 | 143.9 | 128.9 | -81 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 1885 | S | 26.9 | Very low | 28.5 | Very low | 116 Ų | 116 | 133 Ų | 133 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | trans | -81.1 | 156.5 | 162.4 | -47.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1886 | P | 31.7 | Very low | 28.3 | Very low | 112 Ų | 112 | 134 Ų | 134 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | -150.5 | 155.3 | 90.5 | 38.6 | -21.1 | 0 | 0 | 0 | 117.6 | |||||
| 1887 | E | 29.1 | Very low | 28.4 | Very low | 186 Ų | 186 | 138.1 Ų | 138.1 | 87% | 0.869 | 78% | 0.78 | S | S | * | * | trans | 46.2 | 133.8 | 135.9 | -56.1 | -176 | 145.6 | 0 | 0 | 123.4 | ||||
| 1888 | Y | 30.4 | Very low | 28.3 | Very low | 219 Ų | 219 | 138 Ų | 138 | 86% | 0.859 | 77% | 0.769 | S | S | * | * | trans | -66.8 | 162.8 | 168.6 | -68.4 | -100 | 0 | 0 | 0 | 112.8 | ||||
| 1889 | P | 29.8 | Very low | 28.1 | Very low | 130 Ų | 130 | 138.8 Ų | 138.8 | 84% | 0.844 | 76% | 0.764 | S | S | * | * | -138.7 | 159.8 | 99.4 | 38 | -26.9 | 0 | 0 | 0 | 115.4 | |||||
| 1890 | S | 25.3 | Very low | 27.9 | Very low | 113 Ų | 113 | 140 Ų | 140 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | trans | -98.2 | 144.5 | 179.8 | 55.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1891 | S | 27.3 | Very low | 28.2 | Very low | 109 Ų | 109 | 139.9 Ų | 139.9 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | trans | -159.5 | 113.7 | 153.5 | 58.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1892 | S | 25.4 | Very low | 28.2 | Very low | 104 Ų | 104 | 137 Ų | 137 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | trans | 33.8 | 124.8 | 140.8 | 59.1 | 0 | 0 | 0 | 0 | 122 | ||||
| 1893 | L | 30.1 | Very low | 28.2 | Very low | 162 Ų | 162 | 138 Ų | 138 | 85% | 0.848 | 77% | 0.769 | S | S | * | * | 168 | 85.9 | 127.2 | -89.9 | 159.6 | 0 | 0 | 0 | 107.5 | |||||
| 1894 | S | 24.5 | Very low | 28.2 | Very low | 92 Ų | 92 | 139.7 Ų | 139.7 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | 51 | 99.2 | 75.8 | 77.9 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 1895 | F | 29.9 | Very low | 28.4 | Very low | 187 Ų | 187 | 140.9 Ų | 140.9 | 82% | 0.82 | 76% | 0.764 | S | S | * | * | trans | -158 | 129.5 | 145.5 | -137.2 | -102.4 | 0 | 0 | 0 | 110.6 | Y1897 | F1895-Y1897 HydrophobicContact CD1-CD2 4.3Å; F1895-Y1897 HydrophobicContact CE1-CD2 4.22Å; F1895-Y1897 AromaticContact CE1-CE2 3.98Å; F1895-Y1897 HydrophobicContact CE1-CE2 3.98Å | ||
| 1896 | D | 24.6 | Very low | 28.3 | Very low | 141 Ų | 141 | 142.4 Ų | 142.4 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | trans | -102.6 | 135.7 | -178.9 | -49.2 | -90.3 | 0 | 0 | 0 | 111.1 | ||||
| 1897 | Y | 31.7 | Very low | 28.2 | Very low | 192 Ų | 192 | 148.3 Ų | 148.3 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | trans | -150.3 | 120.3 | 154 | -97.7 | -91.1 | 0 | 0 | 0 | 105.8 | F1895 | F1895-Y1897 HydrophobicContact CD1-CD2 4.3Å; F1895-Y1897 HydrophobicContact CE1-CD2 4.22Å; F1895-Y1897 AromaticContact CE1-CE2 3.98Å; F1895-Y1897 HydrophobicContact CE1-CE2 3.98Å | ||
| 1898 | L | 28.7 | Very low | 28.2 | Very low | 128 Ų | 128 | 142.4 Ų | 142.4 | 67% | 0.67 | 76% | 0.757 | S | S | * | * | 61.9 | 128.7 | 68.5 | -58.5 | 166.8 | 0 | 0 | 0 | 111.3 | |||||
| 1899 | T | 27.1 | Very low | 28.1 | Very low | 107 Ų | 107 | 140.9 Ų | 140.9 | 66% | 0.656 | 76% | 0.758 | S | S | * | * | cis | -164.9 | 162.1 | 3.2 | 3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1900 | D | 25.3 | Very low | 27.9 | Very low | 132 Ų | 132 | 141.9 Ų | 141.9 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | trans | 38.2 | 114.7 | 145.2 | -51.1 | -23.8 | 0 | 0 | 0 | 122.1 | ||||
| 1901 | T | 32.8 | Very low | 28 | Very low | 136 Ų | 136 | 142.6 Ų | 142.6 | 83% | 0.834 | 75% | 0.751 | S | S | * | * | -172.9 | 108 | 117.3 | 17 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 1902 | N | 27 | Very low | 28 | Very low | 146 Ų | 146 | 143.6 Ų | 143.6 | 78% | 0.781 | 75% | 0.752 | S | S | * | * | 48.5 | 105.2 | 83.4 | -82.7 | -24.7 | 0 | 0 | 0 | 115.2 | |||||
| 1903 | I | 29.2 | Very low | 28.1 | Very low | 153 Ų | 153 | 145 Ų | 145 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | -178.9 | 126.4 | 125.9 | -95.6 | 157.5 | 0 | 0 | 0 | 110.1 | |||||
| 1904 | M | 27.1 | Very low | 28.1 | Very low | 154 Ų | 154 | 142 Ų | 142 | 76% | 0.759 | 74% | 0.74 | S | S | * | * | trans | 43.6 | 136.7 | 151.4 | -57.1 | 167.8 | 83.5 | 0 | 0 | 120.5 | ||||
| 1905 | H | 31.6 | Very low | 28.2 | Very low | 140 Ų | 140 | 149.5 Ų | 149.5 | 65% | 0.648 | 76% | 0.756 | S | S | * | * | cis | -151.5 | 150.3 | -9.6 | -115.2 | -67.6 | 0 | 0 | 0 | 110.4 | ||||
| 1906 | Q | 25.1 | Very low | 28.1 | Very low | 148 Ų | 148 | 143.3 Ų | 143.3 | 69% | 0.692 | 75% | 0.745 | S | S | * | * | trans | -34.8 | 134.5 | 156.4 | -59.8 | 147.1 | -63.8 | 0 | 0 | 115.9 | ||||
| 1907 | Y | 30.9 | Very low | 28.3 | Very low | 236 Ų | 236 | 144.3 Ų | 144.3 | 93% | 0.925 | 75% | 0.75 | S | S | * | * | -144.2 | 142.3 | 110.2 | -83.2 | -75.4 | 0 | 0 | 0 | 106.1 | |||||
| 1908 | G | 27.7 | Very low | 28.2 | Very low | 62 Ų | 62 | 139 Ų | 139 | 64% | 0.639 | 75% | 0.746 | S | S | * | * | 81.8 | 120.8 | 83.6 | 0 | 0 | 0 | 0 | 0 | 109 | |||||
| 1909 | E | 28.7 | Very low | 28.5 | Very low | 187 Ų | 187 | 139.6 Ų | 139.6 | 87% | 0.874 | 75% | 0.75 | S | S | * | * | cis | 48.4 | 143 | 32.7 | -64.8 | -166.3 | 153 | 0 | 0 | 112.6 | ||||
| 1910 | D | 26 | Very low | 28.7 | Very low | 151 Ų | 151 | 140.9 Ų | 140.9 | 81% | 0.807 | 75% | 0.753 | S | S | * | * | trans | 71.7 | 134.3 | -156.8 | -42.5 | -27.6 | 0 | 0 | 0 | 112.5 | ||||
| 1911 | D | 27.2 | Very low | 29.1 | Very low | 128 Ų | 128 | 140.2 Ų | 140.2 | 68% | 0.684 | 75% | 0.749 | S | S | * | * | cis | -151 | 161.4 | -0.6 | -124.7 | -34.8 | 0 | 0 | 0 | 113.4 | ||||
| 1912 | T | 28 | Very low | 29.1 | Very low | 129 Ų | 129 | 139.5 Ų | 139.5 | 79% | 0.791 | 74% | 0.74 | S | S | * | * | trans | -114.5 | 72.1 | 171.5 | 54.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1913 | D | 26.8 | Very low | 29.4 | Very low | 134 Ų | 134 | 139.1 Ų | 139.1 | 72% | 0.717 | 74% | 0.738 | S | S | * | * | trans | -105.2 | 132.7 | 171 | -82.6 | -31 | 0 | 0 | 0 | 111.6 | ||||
| 1914 | V | 29.4 | Very low | 29.4 | Very low | 100 Ų | 100 | 136.5 Ų | 136.5 | 61% | 0.606 | 73% | 0.733 | S | S | * | * | cis | 75.9 | 102.7 | 39.3 | -174 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1915 | Y | 26.8 | Very low | 29.5 | Very low | 249 Ų | 249 | 137 Ų | 137 | 98% | 0.976 | 74% | 0.739 | S | S | * | * | trans | -123.6 | 78.2 | 137.8 | -117.4 | -87.4 | 0 | 0 | 0 | 108 | ||||
| 1916 | G | 29.6 | Very low | 29.5 | Very low | 56 Ų | 56 | 134 Ų | 134 | 58% | 0.577 | 75% | 0.746 | S | S | * | * | trans | -123.8 | 133.3 | 164.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1917 | D | 27.3 | Very low | 29.8 | Very low | 163 Ų | 163 | 134.1 Ų | 134.1 | 87% | 0.872 | 75% | 0.751 | S | S | * | * | trans | -75.8 | 150.4 | 179.5 | -88.3 | -49.6 | 0 | 0 | 0 | 113.2 | ||||
| 1918 | A | 30.9 | Very low | 29.9 | Very low | 81 Ų | 81 | 130 Ų | 130 | 67% | 0.669 | 74% | 0.741 | S | S | * | * | trans | 75.4 | 94.7 | 161.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1919 | D | 33.5 | Very low | 30.1 | Very low | 139 Ų | 139 | 134.5 Ų | 134.5 | 74% | 0.743 | 74% | 0.743 | S | S | * | * | 94.6 | 80.3 | 123.8 | -59.3 | -24.8 | 0 | 0 | 0 | 121.4 | |||||
| 1920 | N | 32.6 | Very low | 30 | Very low | 134 Ų | 134 | 132.6 Ų | 132.6 | 72% | 0.717 | 74% | 0.738 | S | S | * | * | 73.9 | 131.9 | 107 | -89 | -41.8 | 0 | 0 | 0 | 123.9 | |||||
| 1921 | N | 32.5 | Very low | 30.2 | Very low | 118 Ų | 118 | 132.8 Ų | 132.8 | 63% | 0.631 | 73% | 0.734 | S | S | * | * | trans | 83 | 97.3 | 136.9 | -71.9 | -16.8 | 0 | 0 | 0 | 123.1 | ||||
| 1922 | N | 33.1 | Very low | 30.3 | Very low | 121 Ų | 121 | 134.1 Ų | 134.1 | 65% | 0.647 | 74% | 0.739 | S | S | * | * | 88.5 | 113.8 | 106.6 | -69.2 | -3.3 | 0 | 0 | 0 | 123.1 | |||||
| 1923 | N | 32.6 | Very low | 30.2 | Very low | 138 Ų | 138 | 132.9 Ų | 132.9 | 74% | 0.738 | 74% | 0.736 | S | S | * | * | 99.9 | 135.3 | 115.8 | -75.4 | -9.5 | 0 | 0 | 0 | 123.7 | |||||
| 1924 | S | 30.8 | Very low | 30.3 | Very low | 98 Ų | 98 | 131 Ų | 131 | 69% | 0.685 | 73% | 0.733 | S | S | * | * | trans | 94.1 | 94.1 | 139.9 | 66.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1925 | N | 29.4 | Very low | 30.3 | Very low | 165 Ų | 165 | 135.7 Ų | 135.7 | 88% | 0.882 | 75% | 0.745 | S | S | * | * | 56.2 | 136 | 111.8 | -55.3 | 5.8 | 0 | 0 | 0 | 120.1 | |||||
| 1926 | G | 31.8 | Very low | 30.3 | Very low | 77 Ų | 77 | 131.1 Ų | 131.1 | 79% | 0.794 | 74% | 0.737 | S | S | * | * | trans | 169.9 | 67.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1927 | D | 30 | Very low | 30.2 | Very low | 150 Ų | 150 | 136.5 Ų | 136.5 | 80% | 0.802 | 75% | 0.747 | S | S | * | * | trans | -60.1 | 150 | 174.1 | -65.8 | -81.5 | 0 | 0 | 0 | 113.2 | ||||
| 1928 | E | 32.7 | Very low | 30.3 | Very low | 150 Ų | 150 | 137.6 Ų | 137.6 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | -169.3 | 122.7 | 113.7 | -101.8 | -159.1 | 138.9 | 0 | 0 | 114.5 | |||||
| 1929 | K | 32.8 | Very low | 30.4 | Very low | 156 Ų | 156 | 136.7 Ų | 136.7 | 68% | 0.678 | 73% | 0.733 | S | S | * | * | trans | 48.5 | 108.5 | 132 | -65.1 | 176 | -168.4 | 147.9 | 0 | 121.3 | ||||
| 1930 | L | 26.5 | Very low | 30.5 | Very low | 147 Ų | 147 | 139.1 Ų | 139.1 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | 72.6 | 139.4 | 114.7 | -70.9 | 167.3 | 0 | 0 | 0 | 123.1 | |||||
| 1931 | Q | 29.1 | Very low | 30.6 | Very low | 156 Ų | 156 | 139.7 Ų | 139.7 | 73% | 0.729 | 73% | 0.729 | S | S | * | * | trans | 100.1 | 131.4 | 133.5 | -93.8 | -176.3 | 23.6 | 0 | 0 | 123 | ||||
| 1932 | I | 31.3 | Very low | 30.8 | Very low | 155 Ų | 155 | 142.4 Ų | 142.4 | 80% | 0.795 | 74% | 0.735 | S | S | * | * | trans | 81.3 | 146.9 | 153.4 | -63.2 | 161.8 | 0 | 0 | 0 | 116.9 | ||||
| 1933 | S | 25.9 | Very low | 31 | Very low | 104 Ų | 104 | 145.5 Ų | 145.5 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | trans | -121.5 | -170.5 | -148.4 | 63.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1934 | S | 27.6 | Very low | 31.3 | Very low | 94 Ų | 94 | 142.5 Ų | 142.5 | 66% | 0.657 | 72% | 0.721 | S | S | * | * | trans | 74.7 | 101.2 | 174.7 | 79.1 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1935 | K | 29.3 | Very low | 31.7 | Very low | 198 Ų | 198 | 140.9 Ų | 140.9 | 86% | 0.861 | 71% | 0.709 | S | S | * | * | -174.3 | 151.9 | 117.6 | -97.4 | 144.9 | -165.6 | 139.8 | 0 | 113.6 | |||||
| 1936 | L | 26.9 | Very low | 31.9 | Very low | 153 Ų | 153 | 140.6 Ų | 140.6 | 80% | 0.801 | 70% | 0.7 | S | S | * | * | trans | -68.7 | 149.7 | -177.6 | -70.7 | 67.8 | 0 | 0 | 0 | 113.1 | ||||
| 1937 | H | 27.4 | Very low | 32.3 | Very low | 169 Ų | 169 | 141.1 Ų | 141.1 | 78% | 0.782 | 68% | 0.683 | S | S | * | * | trans | 64 | 153 | 154 | -92.2 | -91.8 | 0 | 0 | 0 | 119.2 | ||||
| 1938 | F | 29 | Very low | 32.6 | Very low | 186 Ų | 186 | 137.3 Ų | 137.3 | 82% | 0.816 | 66% | 0.66 | S | S | * | * | trans | 69.8 | 134.9 | -171.1 | -64.7 | -99.9 | 0 | 0 | 0 | 113.2 | ||||
| 1939 | S | 34.3 | Very low | 32.7 | Very low | 62 Ų | 62 | 137.3 Ų | 137.3 | 43% | 0.434 | 66% | 0.657 | S | S | . | * | cis | -153.2 | 103.6 | 16.9 | -165.6 | 0 | 0 | 0 | 0 | 114.5 | R1941 K1942 | S1939-R1941 PolarHBondContact O-N 3.29Å; S1939-R1941 PolarHBondContact OG-N 2.86Å; S1939-K1942 PolarHBondContact O-N 3.48Å | ||
| 1940 | K | 34.9 | Very low | 32.9 | Very low | 191 Ų | 191 | 136.1 Ų | 136.1 | 83% | 0.83 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54 | -16.8 | 165.2 | -99.8 | -170.1 | 173.2 | -171.8 | 0 | 113.2 | K1942 Q1944 | K1940-K1942 PolarHBondContact O-N 3.29Å; K1940-Q1944 WeakPolarHBondContact O-CG 3.32Å |
| 1941 | R | 34.5 | Very low | 33.4 | Very low | 145 Ų | 145 | 135.7 Ų | 135.7 | 55% | 0.547 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -75.6 | -15.1 | 179.5 | -58.9 | -177.6 | 177.6 | -174.5 | -2 | 114.7 | S1939 S1945 | S1939-R1941 PolarHBondContact O-N 3.29Å; S1939-R1941 PolarHBondContact OG-N 2.86Å; R1941-S1945 WeakPolarHBondContact O-CB 3.47Å; R1941-S1945 PolarHBondContact O-N 3.38Å; R1941-S1945 VanDerWaalsContact O-N 3.14Å |
| 1942 | K | 37.7 | Very low | 33.7 | Very low | 176 Ų | 176 | 136.4 Ų | 136.4 | 77% | 0.765 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -82.6 | -42.1 | -175.1 | -135.2 | 179.8 | -176.3 | -174.9 | 0 | 112.8 | S1939 K1940 S1945 K1946 | S1939-K1942 PolarHBondContact O-N 3.48Å; K1940-K1942 PolarHBondContact O-N 3.29Å; K1942-S1945 PolarHBondContact O-N 3.18Å; K1942-K1946 PolarHBondContact O-N 3.4Å |
| 1943 | Y | 35.9 | Very low | 33.9 | Very low | 186 Ų | 186 | 137.1 Ų | 137.1 | 73% | 0.729 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -68 | -48.6 | 174.2 | -150.7 | -111 | 0 | 0 | 0 | 111 | S1945 K1946 M1947 | Y1943-S1945 PolarHBondContact O-N 3.38Å; Y1943-S1945 VanDerWaalsContact O-N 3.07Å; Y1943-K1946 PolarHBondContact O-N 3.23Å; Y1943-M1947 PolarHBondContact O-N 3.25Å |
| 1944 | Q | 39.7 | Very low | 34.2 | Very low | 74 Ų | 74 | 142 Ų | 142 | 35% | 0.346 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -56 | -25.3 | 171 | -70.1 | -176.2 | -18.5 | 0 | 0 | 113.4 | K1940 K1948 | K1940-Q1944 WeakPolarHBondContact O-CG 3.32Å; Q1944-K1948 WeakPolarHBondContact O-CB 3.49Å; Q1944-K1948 WeakPolarHBondContact O-CG 3.34Å; Q1944-K1948 PolarHBondContact O-N 3.04Å |
| 1945 | S | 38.6 | Very low | 34.3 | Very low | 64 Ų | 64 | 146.2 Ų | 146.2 | 45% | 0.448 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -81.6 | -18.6 | 175 | -174.1 | 0 | 0 | 0 | 0 | 114.4 | R1941 K1942 Y1943 K1949 | R1941-S1945 WeakPolarHBondContact O-CB 3.47Å; R1941-S1945 PolarHBondContact O-N 3.38Å; R1941-S1945 VanDerWaalsContact O-N 3.14Å; K1942-S1945 PolarHBondContact O-N 3.18Å; Y1943-S1945 PolarHBondContact O-N 3.38Å; Y1943-S1945 VanDerWaalsContact O-N 3.07Å; S1945-K1949 WeakPolarHBondContact O-CG 3.44Å |
| 1946 | K | 34.8 | Very low | 34.1 | Very low | 160 Ų | 160 | 145.4 Ų | 145.4 | 70% | 0.696 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -79.3 | -48.9 | 164.5 | -105.6 | -173.4 | 172.9 | -173 | 0 | 110 | K1942 Y1943 K1948 K1949 L1950 | K1942-K1946 PolarHBondContact O-N 3.4Å; Y1943-K1946 PolarHBondContact O-N 3.23Å; K1946-K1948 PolarHBondContact O-N 2.74Å; K1946-K1949 WeakPolarHBondContact O-CA 3.31Å; K1946-K1949 WeakPolarHBondContact O-CB 3.27Å; K1946-K1949 PolarHBondContact O-N 2.73Å; K1946-L1950 WeakPolarHBondContact O-CD1 3.25Å; K1946-L1950 PolarHBondContact O-N 3.25Å; K1946-L1950 VanDerWaalsContact O-N 3.15Å |
| 1947 | M | 39.1 | Very low | 34.2 | Very low | 88 Ų | 88 | 146 Ų | 146 | 43% | 0.433 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -56.3 | -49.2 | 175.4 | -87.6 | -64.1 | -171 | 0 | 0 | 112.5 | Y1943 K1949 L1950 K1951 | Y1943-M1947 PolarHBondContact O-N 3.25Å; M1947-K1949 PolarHBondContact O-N 2.94Å; M1947-L1950 PolarHBondContact O-N 3.22Å; M1947-L1950 VanDerWaalsContact O-N 3.12Å; M1947-K1951 WeakPolarHBondContact O-CB 3.33Å; M1947-K1951 PolarHBondContact O-N 3.39Å |
| 1948 | K | 37.3 | Very low | 34.6 | Very low | 70 Ų | 70 | 144.9 Ų | 144.9 | 30% | 0.304 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -72.2 | 5.3 | 175.7 | -67.4 | 179.8 | 171.7 | 178.5 | 0 | 114.8 | D989 Q1944 K1946 R1952 | D989-K1948 IonicContact OD2-NZ 3.58Å; D989-K1948 PolarHBondContact OD2-NZ 3.34Å; Q1944-K1948 WeakPolarHBondContact O-CB 3.49Å; Q1944-K1948 WeakPolarHBondContact O-CG 3.34Å; Q1944-K1948 PolarHBondContact O-N 3.04Å; K1946-K1948 PolarHBondContact O-N 2.74Å; K1948-R1952 WeakPolarHBondContact O-CD 3.36Å; K1948-R1952 WeakPolarHBondContact O-CG 3.45Å |
| 1949 | K | 35.1 | Very low | 34.8 | Very low | 149 Ų | 149 | 142.7 Ų | 142.7 | 65% | 0.648 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -101.4 | -32.6 | 164.8 | -83.3 | -179 | 174.7 | -179.5 | 0 | 113.2 | S1945 K1946 M1947 | S1945-K1949 WeakPolarHBondContact O-CG 3.44Å; K1946-K1949 WeakPolarHBondContact O-CA 3.31Å; K1946-K1949 WeakPolarHBondContact O-CB 3.27Å; K1946-K1949 PolarHBondContact O-N 2.73Å; M1947-K1949 PolarHBondContact O-N 2.94Å |
| 1950 | L | 36.1 | Very low | 34.9 | Very low | 131 Ų | 131 | 147.2 Ų | 147.2 | 69% | 0.686 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -73 | -46.3 | 168.1 | -80.1 | 83.1 | 0 | 0 | 0 | 110.7 | K1946 M1947 R1952 H1953 | K1946-L1950 WeakPolarHBondContact O-CD1 3.25Å; K1946-L1950 PolarHBondContact O-N 3.25Å; K1946-L1950 VanDerWaalsContact O-N 3.15Å; M1947-L1950 PolarHBondContact O-N 3.22Å; M1947-L1950 VanDerWaalsContact O-N 3.12Å; L1950-R1952 PolarHBondContact O-N 3.42Å; L1950-H1953 PolarHBondContact O-N 3.14Å |
| 1951 | K | 37.3 | Very low | 34.9 | Very low | 139 Ų | 139 | 144.6 Ų | 144.6 | 60% | 0.604 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | 11.4 | 174.2 | -62.4 | -171.7 | 178.6 | -174.7 | 0 | 114.6 | D991 M1947 | D991-K1951 IonicContact OD1-NZ 3.3Å; D991-K1951 PolarHBondContact OD1-NZ 3.42Å; M1947-K1951 WeakPolarHBondContact O-CB 3.33Å; M1947-K1951 PolarHBondContact O-N 3.39Å |
| 1952 | R | 35.5 | Very low | 34.9 | Very low | 170 Ų | 170 | 144.6 Ų | 144.6 | 64% | 0.642 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.9 | 5 | 168.6 | -83.7 | -177.2 | 171.6 | 177.8 | -2.5 | 113.1 | D825 K1948 L1950 | D825-R1952 IonicContact OD1-NH1 2.68Å; D825-R1952 IonicContact OD1-NH2 3.16Å; D825-R1952 PolarHBondContact OD1-NH2 3.29Å; D825-R1952 IonicContact OD2-CZ 3.05Å; D825-R1952 IonicContact OD2-NH1 2.74Å; D825-R1952 PolarHBondContact OD2-NH1 2.99Å; D825-R1952 IonicContact OD2-NH2 3.8Å; K1948-R1952 WeakPolarHBondContact O-CD 3.36Å; K1948-R1952 WeakPolarHBondContact O-CG 3.45Å; L1950-R1952 PolarHBondContact O-N 3.42Å |
| 1953 | H | 35.6 | Very low | 34.7 | Very low | 171 Ų | 171 | 142.5 Ų | 142.5 | 79% | 0.792 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -135.7 | 52.8 | 179.2 | -101.5 | -56.9 | 0 | 0 | 0 | 114.2 | L1950 | L1950-H1953 PolarHBondContact O-N 3.14Š|
| 1954 | K | 31.4 | Very low | 34.6 | Very low | 206 Ų | 206 | 139.4 Ų | 139.4 | 90% | 0.896 | 66% | 0.658 | S | S | * | * | trans | -176.8 | 105.1 | 153 | -106.7 | 174.1 | -177.9 | -173 | 0 | 108.9 | ||||
| 1955 | Q | 29.2 | Very low | 34.2 | Very low | 183 Ų | 183 | 144.4 Ų | 144.4 | 86% | 0.855 | 68% | 0.682 | S | S | * | * | trans | -161.6 | 126.5 | 161.8 | -118.1 | -172.5 | 21.5 | 0 | 0 | 110 | ||||
| 1956 | K | 25.9 | Very low | 33.9 | Very low | 180 Ų | 180 | 151.1 Ų | 151.1 | 78% | 0.783 | 70% | 0.701 | S | S | * | * | trans | 78.4 | 145.1 | 174.8 | -56.8 | -172.5 | 178.4 | -175.5 | 0 | 117.6 | ||||
| 1957 | P | 29.4 | Very low | 33.8 | Very low | 166 Ų | 166 | 150.3 Ų | 150.3 | 100% | 1.078 | 70% | 0.702 | S | S | * | * | cis | -57.9 | 0 | -12.1 | -22 | 35.2 | 0 | 0 | 0 | 112.9 |
Retrieved 1,957 of 1,957 residues in 3452.9 ms
(Link to these results)