| 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 | 32 | Very low | 58.3 | Low | 194 Ų | 194 | 85.3 Ų | 85.3 | 96% | 0.956 | 43% | 0.425 | S | S | * | . | 0 | 29 | 0 | -66.5 | -175 | -178.7 | 0 | 0 | 112.1 | I3 K4 | M1-I3 PolarHBondContact O-N 2.89Å; M1-K4 PolarHBondContact O-N 3.46Å | |||
| 2 | D | 44.9 | Very low | 60.1 | Low | 91 Ų | 91 | 78.2 Ų | 78.2 | 49% | 0.487 | 39% | 0.39 | S | S | . | . | H | α-helix | -90.6 | -30.2 | -124.7 | -45.9 | -63.8 | 0 | 0 | 0 | 112.6 | K4 A5 E6 | D2-K4 PolarHBondContact O-N 2.96Å; D2-K4 VanDerWaalsContact O-N 3.12Å; D2-A5 WeakPolarHBondContact O-CA 3.11Å; D2-A5 WeakPolarHBondContact O-CB 3.39Å; D2-A5 PolarHBondContact O-N 3.37Å; D2-E6 PolarHBondContact O-N 2.85Å | |
| 3 | I | 45.5 | Very low | 61.2 | Low | 132 Ų | 132 | 76 Ų | 76 | 68% | 0.677 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -53.1 | -33.2 | 169.7 | -56.7 | 173.3 | 0 | 0 | 0 | 111.8 | M1 L7 | M1-I3 PolarHBondContact O-N 2.89Å; I3-L7 WeakPolarHBondContact O-CB 3.45Å; I3-L7 PolarHBondContact O-N 3.44Å |
| 4 | K | 52.7 | Low | 61.3 | Low | 164 Ų | 164 | 76.3 Ų | 76.3 | 71% | 0.713 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -71 | -35.6 | 175.6 | -75.6 | -171.8 | 176.1 | -179.9 | 0 | 112.7 | M1 D2 L7 F8 | M1-K4 PolarHBondContact O-N 3.46Å; D2-K4 PolarHBondContact O-N 2.96Å; D2-K4 VanDerWaalsContact O-N 3.12Å; K4-L7 PolarHBondContact O-N 3.16Å; K4-F8 WeakPolarHBondContact O-CD2 3.29Å; K4-F8 PolarHBondContact O-N 3Å |
| 5 | A | 55.6 | Low | 61.9 | Low | 8 Ų | 8 | 74.1 Ų | 74.1 | 7% | 0.066 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -72.5 | -42.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | D2 L7 F8 F9 L36 L37 | D2-A5 WeakPolarHBondContact O-CA 3.11Å; D2-A5 WeakPolarHBondContact O-CB 3.39Å; D2-A5 PolarHBondContact O-N 3.37Å; A5-L7 VanDerWaalsContact C-N 3.28Å; A5-L7 PolarHBondContact O-N 3.34Å; A5-F8 WeakPolarHBondContact O-CB 3.48Å; A5-F8 PolarHBondContact O-N 3.14Å; A5-F9 PolarHBondContact O-N 2.76Å; A5-F9 VanDerWaalsContact O-N 3.13Å; A5-L36 VanDerWaalsContact CB-O 3.23Å; A5-L36 WeakPolarHBondContact CB-O 3.44Å; A5-L37 HydrophobicContact CB-CD2 4.41Å |
| 6 | E | 59.7 | Low | 62.8 | Low | 42 Ų | 42 | 73.5 Ų | 73.5 | 20% | 0.196 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.9 | -38.1 | 171.7 | -68.6 | 176.9 | 177.9 | 0 | 0 | 111.7 | D2 F8 F9 L10 R40 Y70 | D2-E6 PolarHBondContact O-N 2.85Å; E6-F8 VanDerWaalsContact C-N 3.33Å; E6-F8 PolarHBondContact O-N 2.7Å; E6-F9 WeakPolarHBondContact O-CB 3.48Å; E6-F9 PolarHBondContact O-N 3.41Å; E6-L10 VanDerWaalsContact O-CG 3.3Å; E6-L10 WeakPolarHBondContact O-CG 3.39Å; E6-L10 PolarHBondContact O-N 3Å; E6-R40 IonicContact OE1-NH2 2.66Å; E6-Y70 PolarHBondContact OE2-OH 3.1Å |
| 7 | L | 61.9 | Low | 63 | Low | 93 Ų | 93 | 76.9 Ų | 76.9 | 49% | 0.487 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.9 | -39.4 | 175.5 | -145.3 | 95.6 | 0 | 0 | 0 | 112.5 | I3 K4 A5 V11 | I3-L7 WeakPolarHBondContact O-CB 3.45Å; I3-L7 PolarHBondContact O-N 3.44Å; K4-L7 PolarHBondContact O-N 3.16Å; A5-L7 VanDerWaalsContact C-N 3.28Å; A5-L7 PolarHBondContact O-N 3.34Å; L7-V11 WeakPolarHBondContact O-CB 3.45Å; L7-V11 VanDerWaalsContact O-CG2 3.24Å; L7-V11 WeakPolarHBondContact O-CG2 3.48Å; L7-V11 PolarHBondContact O-N 3.02Å |
| 8 | F | 72.6 | Confident | 62.8 | Low | 77 Ų | 77 | 80.2 Ų | 80.2 | 34% | 0.338 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64 | -42.5 | 174.4 | -81.3 | -65.7 | 0 | 0 | 0 | 111.7 | K4 A5 E6 V11 V12 L27 I31 L36 | K4-F8 WeakPolarHBondContact O-CD2 3.29Å; K4-F8 PolarHBondContact O-N 3Å; A5-F8 WeakPolarHBondContact O-CB 3.48Å; A5-F8 PolarHBondContact O-N 3.14Å; E6-F8 VanDerWaalsContact C-N 3.33Å; E6-F8 PolarHBondContact O-N 2.7Å; F8-V11 PolarHBondContact O-N 3.47Å; F8-V12 PolarHBondContact O-N 2.99Å; F8-V12 VanDerWaalsContact O-N 3.13Å; F8-L27 HydrophobicContact CD1-CD1 4.19Å; F8-L27 HydrophobicContact CE1-CD1 4.43Å; F8-I31 HydrophobicContact CB-CD1 3.78Å; F8-I31 HydrophobicContact CB-CG1 4.07Å; F8-I31 HydrophobicContact CG-CG1 4.45Å; F8-L36 HydrophobicContact CD2-CD1 4.36Å; F8-L36 HydrophobicContact CE2-CD1 4.14Å; F8-L36 HydrophobicContact CZ-CD1 4.34Å |
| 9 | F | 76.1 | Confident | 62.8 | Low | 18 Ų | 18 | 78.7 Ų | 78.7 | 8% | 0.079 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -59.5 | -49.3 | 176.1 | -179.2 | -97 | 0 | 0 | 0 | 112.2 | A5 E6 V11 V12 K13 L37 F52 Y55 N56 H59 | A5-F9 PolarHBondContact O-N 2.76Å; A5-F9 VanDerWaalsContact O-N 3.13Å; E6-F9 WeakPolarHBondContact O-CB 3.48Å; E6-F9 PolarHBondContact O-N 3.41Å; F9-V11 VanDerWaalsContact C-N 3.31Å; F9-V11 PolarHBondContact O-N 2.97Å; F9-V12 PolarHBondContact O-N 3.5Å; F9-K13 HydrophobicContact CE1-CG 4.22Å; F9-K13 HydrophobicContact CZ-CG 4.35Å; F9-K13 PolarHBondContact O-N 3.21Å; F9-K13 VanDerWaalsContact O-N 3.16Å; F9-L37 HydrophobicContact CB-CD2 4.22Å; F9-F52 AromaticContact CD2-CD2 3.86Å; F9-F52 HydrophobicContact CD2-CD2 3.86Å; F9-F52 AromaticContact CD2-CE2 3.39Å; F9-F52 HydrophobicContact CD2-CE2 3.39Å; F9-F52 AromaticContact CD2-CZ 3.81Å; F9-F52 HydrophobicContact CD2-CZ 3.81Å; F9-F52 HydrophobicContact CE2-CD2 4.34Å; F9-F52 HydrophobicContact CE2-CE1 4.22Å; F9-F52 AromaticContact CE2-CE2 3.82Å; F9-F52 HydrophobicContact CE2-CE2 3.82Å; F9-F52 AromaticContact CE2-CZ 3.75Å; F9-F52 HydrophobicContact CE2-CZ 3.75Å; F9-F52 HydrophobicContact CG-CE2 4.22Å; F9-Y55 AromaticContact CD2-CD1 3.85Å; F9-Y55 HydrophobicContact CD2-CD1 3.85Å; F9-Y55 HydrophobicContact CE2-CD1 4.1Å; F9-Y55 HydrophobicContact CG-CD1 4.15Å; F9-N56 HydrophobicContact CE2-CB 3.87Å; F9-N56 HydrophobicContact CZ-CB 4.15Å; F9-H59 HydrophobicContact CE1-CB 4.32Å; F9-H59 HydrophobicContact CZ-CB 4.28Å |
| 10 | L | 68.6 | Low | 63.2 | Low | 54 Ų | 54 | 77.7 Ų | 77.7 | 28% | 0.283 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.1 | -34.7 | 178.9 | -67.3 | 166.7 | 0 | 0 | 0 | 112.5 | E6 K13 L14 L67 Y70 | E6-L10 VanDerWaalsContact O-CG 3.3Å; E6-L10 WeakPolarHBondContact O-CG 3.39Å; E6-L10 PolarHBondContact O-N 3Å; L10-K13 PolarHBondContact O-N 3.21Å; L10-L14 WeakPolarHBondContact O-CB 3.42Å; L10-L14 PolarHBondContact O-N 3.2Å; L10-L67 HydrophobicContact CD2-CD2 3.92Å; L10-L67 HydrophobicContact CD2-CG 4.34Å; L10-Y70 HydrophobicContact CD1-CD1 4.48Å |
| 11 | V | 72.1 | Confident | 63.8 | Low | 65 Ų | 65 | 77.7 Ų | 77.7 | 39% | 0.394 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -70.5 | -37.3 | 176.7 | 170.9 | 0 | 0 | 0 | 0 | 112.1 | L7 F8 F9 L14 L15 L27 | L7-V11 WeakPolarHBondContact O-CB 3.45Å; L7-V11 VanDerWaalsContact O-CG2 3.24Å; L7-V11 WeakPolarHBondContact O-CG2 3.48Å; L7-V11 PolarHBondContact O-N 3.02Å; F8-V11 PolarHBondContact O-N 3.47Å; F9-V11 VanDerWaalsContact C-N 3.31Å; F9-V11 PolarHBondContact O-N 2.97Å; V11-L14 PolarHBondContact O-N 2.82Å; V11-L15 HydrophobicContact CG1-CD1 4.09Å; V11-L15 VanDerWaalsContact O-CG 3.31Å; V11-L15 WeakPolarHBondContact O-CG 3.29Å; V11-L15 PolarHBondContact O-N 2.82Å; V11-L15 VanDerWaalsContact O-N 3.07Å; V11-L27 HydrophobicContact CB-CD2 4.24Å; V11-L27 HydrophobicContact CG1-CD2 3.61Å |
| 12 | V | 79.7 | Confident | 65.8 | Low | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.7 | -48.1 | 172 | 176.8 | 0 | 0 | 0 | 0 | 110.2 | F8 F9 L14 L15 E16 A24 L27 K28 I31 F52 | F8-V12 PolarHBondContact O-N 2.99Å; F8-V12 VanDerWaalsContact O-N 3.13Å; F9-V12 PolarHBondContact O-N 3.5Å; V12-L14 VanDerWaalsContact C-N 3.31Å; V12-L14 PolarHBondContact O-N 2.89Å; V12-L15 CarbonylContact O-C 3.57Å; V12-L15 WeakPolarHBondContact O-CA 3.44Å; V12-L15 WeakPolarHBondContact O-CB 3.45Å; V12-L15 PolarHBondContact O-N 3.15Å; V12-E16 HydrophobicContact CG1-CG 4.37Å; V12-E16 WeakPolarHBondContact O-CG 3.46Å; V12-E16 PolarHBondContact O-N 3.42Å; V12-A24 HydrophobicContact CG1-CB 4.13Å; V12-L27 HydrophobicContact CG2-CB 4.03Å; V12-L27 HydrophobicContact CG2-CD2 3.73Å; V12-L27 HydrophobicContact CG2-CG 3.73Å; V12-K28 HydrophobicContact CG1-CB 4.19Å; V12-K28 HydrophobicContact CG2-CB 4.49Å; V12-I31 HydrophobicContact CG2-CD1 3.57Å; V12-F52 HydrophobicContact CB-CE2 3.51Å; V12-F52 HydrophobicContact CB-CZ 3.66Å; V12-F52 HydrophobicContact CG1-CE1 4.1Å; V12-F52 HydrophobicContact CG1-CE2 3.66Å; V12-F52 HydrophobicContact CG1-CZ 3.38Å; V12-F52 HydrophobicContact CG2-CD2 4.37Å; V12-F52 HydrophobicContact CG2-CE2 3.75Å; V12-F52 HydrophobicContact CG2-CZ 4.34Å |
| 13 | K | 73.7 | Confident | 67.3 | Low | 50 Ų | 50 | 71.2 Ų | 71.2 | 22% | 0.217 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -57.6 | -42 | 178.9 | -78.2 | -73.4 | 160.7 | -150 | 0 | 113 | F9 L10 L15 E16 D17 N56 | F9-K13 HydrophobicContact CE1-CG 4.22Å; F9-K13 HydrophobicContact CZ-CG 4.35Å; F9-K13 PolarHBondContact O-N 3.21Å; F9-K13 VanDerWaalsContact O-N 3.16Å; L10-K13 PolarHBondContact O-N 3.21Å; K13-L15 VanDerWaalsContact C-N 3.31Å; K13-L15 PolarHBondContact O-N 2.99Å; K13-E16 WeakPolarHBondContact CD-OE2 3.45Å; K13-E16 WeakPolarHBondContact CE-OE2 3.48Å; K13-E16 IonicContact NZ-OE2 3.99Å; K13-E16 PolarHBondContact NZ-OE2 3.46Å; K13-E16 PolarHBondContact O-N 3.04Å; K13-D17 PolarHBondContact O-N 3.43Å; K13-N56 WeakPolarHBondContact CE-OD1 3.39Å; K13-N56 PolarHBondContact NZ-OD1 3.1Å |
| 14 | L | 63.9 | Low | 68.9 | Low | 80 Ų | 80 | 65 Ų | 65 | 42% | 0.419 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -69.5 | -28.7 | 178.1 | -159.6 | 147.5 | 0 | 0 | 0 | 112.4 | L10 V11 V12 E18 | L10-L14 WeakPolarHBondContact O-CB 3.42Å; L10-L14 PolarHBondContact O-N 3.2Å; V11-L14 PolarHBondContact O-N 2.82Å; V12-L14 VanDerWaalsContact C-N 3.31Å; V12-L14 PolarHBondContact O-N 2.89Å; L14-E18 HydrophobicContact CD2-CG 4.4Å; L14-E18 PolarHBondContact O-N 2.97Å |
| 15 | L | 69.8 | Low | 70.3 | Confident | 43 Ų | 43 | 62.7 Ų | 62.7 | 23% | 0.225 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -75.6 | -30.5 | 171.3 | -70.9 | 167.8 | 0 | 0 | 0 | 113.1 | V11 V12 K13 G19 C20 A23 A24 L27 | V11-L15 HydrophobicContact CG1-CD1 4.09Å; V11-L15 VanDerWaalsContact O-CG 3.31Å; V11-L15 WeakPolarHBondContact O-CG 3.29Å; V11-L15 PolarHBondContact O-N 2.82Å; V11-L15 VanDerWaalsContact O-N 3.07Å; V12-L15 CarbonylContact O-C 3.57Å; V12-L15 WeakPolarHBondContact O-CA 3.44Å; V12-L15 WeakPolarHBondContact O-CB 3.45Å; V12-L15 PolarHBondContact O-N 3.15Å; K13-L15 VanDerWaalsContact C-N 3.31Å; K13-L15 PolarHBondContact O-N 2.99Å; L15-G19 PolarHBondContact O-N 3.31Å; L15-C20 HydrophobicContact CB-CB 4.35Å; L15-C20 HydrophobicContact CD2-CB 3.85Å; L15-C20 CarbonylContact O-C 3.54Å; L15-C20 WeakPolarHBondContact O-CA 3.41Å; L15-C20 WeakPolarHBondContact O-CB 3.31Å; L15-C20 PolarHBondContact O-N 2.77Å; L15-A23 HydrophobicContact CD1-CB 4.38Å; L15-A23 HydrophobicContact CD2-CB 4.43Å; L15-A24 HydrophobicContact CB-CB 3.8Å; L15-L27 HydrophobicContact CD1-CD2 4.07Å |
| 16 | E | 75.9 | Confident | 71.4 | Confident | 65 Ų | 65 | 66.2 Ų | 66.2 | 30% | 0.304 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.5 | -48.4 | 169.8 | -67.2 | 175.9 | 161.7 | 0 | 0 | 110.2 | V12 K13 G19 A24 | V12-E16 HydrophobicContact CG1-CG 4.37Å; V12-E16 WeakPolarHBondContact O-CG 3.46Å; V12-E16 PolarHBondContact O-N 3.42Å; K13-E16 WeakPolarHBondContact CD-OE2 3.45Å; K13-E16 WeakPolarHBondContact CE-OE2 3.48Å; K13-E16 IonicContact NZ-OE2 3.99Å; K13-E16 PolarHBondContact NZ-OE2 3.46Å; K13-E16 PolarHBondContact O-N 3.04Å; E16-G19 PolarHBondContact O-N 3.26Å; E16-G19 VanDerWaalsContact O-N 3.09Å; E16-A24 HydrophobicContact CG-CB 3.67Å |
| 17 | D | 66.3 | Low | 72.4 | Confident | 131 Ų | 131 | 65.9 Ų | 65.9 | 70% | 0.701 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -67.1 | -40.2 | -179.6 | -82.2 | -5.4 | 0 | 0 | 0 | 113.9 | K13 G19 | K13-D17 PolarHBondContact O-N 3.43Å; D17-G19 PolarHBondContact O-N 3.01Å |
| 18 | E | 59.3 | Low | 73.5 | Confident | 136 Ų | 136 | 63.6 Ų | 63.6 | 64% | 0.636 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | 9.3 | 171.9 | -72 | -157.8 | 170.7 | 0 | 0 | 113.1 | L14 C20 | L14-E18 HydrophobicContact CD2-CG 4.4Å; L14-E18 PolarHBondContact O-N 2.97Å; E18-C20 VanDerWaalsContact C-N 3.25Å; E18-C20 PolarHBondContact O-N 2.86Å |
| 19 | G | 63.2 | Low | 73.9 | Confident | 52 Ų | 52 | 66 Ų | 66 | 54% | 0.536 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | 11.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115 | L15 E16 D17 V21 | L15-G19 PolarHBondContact O-N 3.31Å; E16-G19 PolarHBondContact O-N 3.26Å; E16-G19 VanDerWaalsContact O-N 3.09Å; D17-G19 PolarHBondContact O-N 3.01Å; G19-V21 PolarHBondContact O-N 3.31Å |
| 20 | C | 69.9 | Low | 74.1 | Confident | 59 Ų | 59 | 70 Ų | 70 | 40% | 0.399 | 39% | 0.386 | S | S | . | . | trans | -81.5 | 48.5 | 177 | -72.1 | 0 | 0 | 0 | 0 | 112.1 | L15 E18 T22 A23 A24 | L15-C20 HydrophobicContact CB-CB 4.35Å; L15-C20 HydrophobicContact CD2-CB 3.85Å; L15-C20 CarbonylContact O-C 3.54Å; L15-C20 WeakPolarHBondContact O-CA 3.41Å; L15-C20 WeakPolarHBondContact O-CB 3.31Å; L15-C20 PolarHBondContact O-N 2.77Å; E18-C20 VanDerWaalsContact C-N 3.25Å; E18-C20 PolarHBondContact O-N 2.86Å; C20-T22 VanDerWaalsContact C-N 3.32Å; C20-T22 PolarHBondContact O-N 3.25Å; C20-T22 VanDerWaalsContact O-N 3.16Å; C20-A23 HydrophobicContact CB-CB 4.3Å; C20-A23 WeakPolarHBondContact O-CA 3.24Å; C20-A23 WeakPolarHBondContact O-CB 3.4Å; C20-A23 PolarHBondContact O-N 2.92Å; C20-A24 PolarHBondContact O-N 2.96Å | ||
| 21 | V | 76.3 | Confident | 74.6 | Confident | 77 Ų | 77 | 67.5 Ų | 67.5 | 47% | 0.467 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -50.9 | -45.2 | -168.8 | -175.1 | 0 | 0 | 0 | 0 | 113 | G19 A23 A24 E25 | G19-V21 PolarHBondContact O-N 3.31Å; V21-A23 VanDerWaalsContact C-N 3.3Å; V21-A23 PolarHBondContact O-N 2.73Å; V21-A24 WeakPolarHBondContact O-CB 3.22Å; V21-A24 PolarHBondContact O-N 2.8Å; V21-E25 HydrophobicContact CG1-CG 4.28Å; V21-E25 WeakPolarHBondContact O-CB 3.42Å; V21-E25 WeakPolarHBondContact O-CG 3.49Å; V21-E25 PolarHBondContact O-N 3.43Å |
| 22 | T | 75.2 | Confident | 75 | Confident | 106 Ų | 106 | 66.3 Ų | 66.3 | 65% | 0.65 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -66.8 | -29.1 | -179.6 | 54.3 | 0 | 0 | 0 | 0 | 113.6 | C20 S26 | C20-T22 VanDerWaalsContact C-N 3.32Å; C20-T22 PolarHBondContact O-N 3.25Å; C20-T22 VanDerWaalsContact O-N 3.16Å; T22-S26 VanDerWaalsContact O-CB 3.29Å; T22-S26 WeakPolarHBondContact O-CB 3.32Å; T22-S26 PolarHBondContact O-N 3.01Å; T22-S26 VanDerWaalsContact O-N 3.08Å; T22-S26 PolarHBondContact O-OG 3.48Å |
| 23 | A | 74.7 | Confident | 75 | Confident | 43 Ų | 43 | 71.8 Ų | 71.8 | 36% | 0.355 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -78 | -37.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L15 C20 V21 S26 L27 | L15-A23 HydrophobicContact CD1-CB 4.38Å; L15-A23 HydrophobicContact CD2-CB 4.43Å; C20-A23 HydrophobicContact CB-CB 4.3Å; C20-A23 WeakPolarHBondContact O-CA 3.24Å; C20-A23 WeakPolarHBondContact O-CB 3.4Å; C20-A23 PolarHBondContact O-N 2.92Å; V21-A23 VanDerWaalsContact C-N 3.3Å; V21-A23 PolarHBondContact O-N 2.73Å; A23-S26 PolarHBondContact O-N 3.35Å; A23-L27 WeakPolarHBondContact O-CB 3.43Å; A23-L27 PolarHBondContact O-N 3.02Å |
| 24 | A | 80.2 | Confident | 75.2 | Confident | 1 Ų | 1 | 73.6 Ų | 73.6 | 1% | 0.008 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -60.7 | -51.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | V12 L15 E16 C20 V21 S26 L27 K28 | V12-A24 HydrophobicContact CG1-CB 4.13Å; L15-A24 HydrophobicContact CB-CB 3.8Å; E16-A24 HydrophobicContact CG-CB 3.67Å; C20-A24 PolarHBondContact O-N 2.96Å; V21-A24 WeakPolarHBondContact O-CB 3.22Å; V21-A24 PolarHBondContact O-N 2.8Å; A24-S26 PolarHBondContact O-N 2.82Å; A24-L27 PolarHBondContact O-N 2.84Å; A24-K28 WeakPolarHBondContact O-CB 3.42Å; A24-K28 PolarHBondContact O-N 3.35Å |
| 25 | E | 81 | Confident | 75.6 | Confident | 117 Ų | 117 | 75.4 Ų | 75.4 | 55% | 0.547 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -58.2 | -43.8 | 175.2 | -73.6 | 179.2 | 157.1 | 0 | 0 | 112.4 | V21 L27 K28 K29 | V21-E25 HydrophobicContact CG1-CG 4.28Å; V21-E25 WeakPolarHBondContact O-CB 3.42Å; V21-E25 WeakPolarHBondContact O-CG 3.49Å; V21-E25 PolarHBondContact O-N 3.43Å; E25-L27 PolarHBondContact O-N 2.86Å; E25-K28 PolarHBondContact O-N 3.14Å; E25-K29 VanDerWaalsContact O-CB 3.28Å; E25-K29 WeakPolarHBondContact O-CB 3.19Å; E25-K29 PolarHBondContact O-N 3.21Å |
| 26 | S | 80 | Confident | 75.7 | Confident | 82 Ų | 82 | 76.4 Ų | 76.4 | 57% | 0.573 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -63.7 | -40.5 | 177.6 | -63.5 | 0 | 0 | 0 | 0 | 112.2 | T22 A23 A24 F30 | T22-S26 VanDerWaalsContact O-CB 3.29Å; T22-S26 WeakPolarHBondContact O-CB 3.32Å; T22-S26 PolarHBondContact O-N 3.01Å; T22-S26 VanDerWaalsContact O-N 3.08Å; T22-S26 PolarHBondContact O-OG 3.48Å; A23-S26 PolarHBondContact O-N 3.35Å; A24-S26 PolarHBondContact O-N 2.82Å; S26-F30 WeakPolarHBondContact O-CB 3.45Å; S26-F30 PolarHBondContact O-N 3.03Å |
| 27 | L | 79.7 | Confident | 75.3 | Confident | 35 Ų | 35 | 73.4 Ų | 73.4 | 18% | 0.183 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -74.8 | -39.7 | 178.4 | -176.1 | 63 | 0 | 0 | 0 | 111.9 | F8 V11 V12 L15 A23 A24 E25 F30 I31 | F8-L27 HydrophobicContact CD1-CD1 4.19Å; F8-L27 HydrophobicContact CE1-CD1 4.43Å; V11-L27 HydrophobicContact CB-CD2 4.24Å; V11-L27 HydrophobicContact CG1-CD2 3.61Å; V12-L27 HydrophobicContact CG2-CB 4.03Å; V12-L27 HydrophobicContact CG2-CD2 3.73Å; V12-L27 HydrophobicContact CG2-CG 3.73Å; L15-L27 HydrophobicContact CD1-CD2 4.07Å; A23-L27 WeakPolarHBondContact O-CB 3.43Å; A23-L27 PolarHBondContact O-N 3.02Å; A24-L27 PolarHBondContact O-N 2.84Å; E25-L27 PolarHBondContact O-N 2.86Å; L27-F30 HydrophobicContact CD1-CD1 4.37Å; L27-F30 WeakPolarHBondContact O-CB 3.28Å; L27-F30 PolarHBondContact O-N 3.17Å; L27-I31 HydrophobicContact CG-CD1 4.14Å; L27-I31 WeakPolarHBondContact O-CD1 3.3Å; L27-I31 VanDerWaalsContact O-CG1 3.24Å; L27-I31 WeakPolarHBondContact O-CG1 3.38Å; L27-I31 PolarHBondContact O-N 2.9Å |
| 28 | K | 84.6 | Confident | 75.1 | Confident | 44 Ų | 44 | 68.8 Ų | 68.8 | 19% | 0.191 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -55.9 | -52.6 | 171.8 | 174 | 173.1 | 173.5 | 177.9 | 0 | 110.6 | V12 A24 E25 F30 I31 D32 F52 D53 | V12-K28 HydrophobicContact CG1-CB 4.19Å; V12-K28 HydrophobicContact CG2-CB 4.49Å; A24-K28 WeakPolarHBondContact O-CB 3.42Å; A24-K28 PolarHBondContact O-N 3.35Å; E25-K28 PolarHBondContact O-N 3.14Å; K28-F30 VanDerWaalsContact C-N 3.33Å; K28-F30 PolarHBondContact O-N 3.49Å; K28-I31 WeakPolarHBondContact O-CB 3.22Å; K28-I31 PolarHBondContact O-N 2.94Å; K28-D32 PolarHBondContact O-N 3.12Å; K28-F52 HydrophobicContact CD-CB 4.44Å; K28-F52 HydrophobicContact CD-CD1 3.66Å; K28-F52 HydrophobicContact CD-CE1 4.14Å; K28-F52 HydrophobicContact CD-CG 4.13Å; K28-F52 HydrophobicContact CG-CB 3.84Å; K28-F52 HydrophobicContact CG-CD1 3.84Å; K28-F52 HydrophobicContact CG-CD2 4.37Å; K28-F52 HydrophobicContact CG-CG 3.76Å; K28-D53 WeakPolarHBondContact CE-OD2 3.31Å; K28-D53 IonicContact NZ-OD1 3.27Å; K28-D53 PolarHBondContact NZ-OD1 3.05Å; K28-D53 IonicContact NZ-OD2 3.15Å; K28-D53 PolarHBondContact NZ-OD2 2.81Å |
| 29 | K | 82.1 | Confident | 75.2 | Confident | 129 Ų | 129 | 66.2 Ų | 66.2 | 56% | 0.561 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -60.1 | -41 | 175.1 | -177.4 | 171.4 | -179.9 | 177.7 | 0 | 112.2 | E25 I31 D32 D33 | E25-K29 VanDerWaalsContact O-CB 3.28Å; E25-K29 WeakPolarHBondContact O-CB 3.19Å; E25-K29 PolarHBondContact O-N 3.21Å; K29-I31 VanDerWaalsContact C-N 3.3Å; K29-I31 PolarHBondContact O-N 3.35Å; K29-D32 PolarHBondContact O-N 2.8Å; K29-D33 VanDerWaalsContact CE-OD2 3.32Å; K29-D33 WeakPolarHBondContact CE-OD2 3.33Å; K29-D33 WeakPolarHBondContact CG-OD2 3.44Å; K29-D33 VanDerWaalsContact O-CB 3.27Å; K29-D33 WeakPolarHBondContact O-CB 3.45Å; K29-D33 VanDerWaalsContact O-CG 3.26Å; K29-D33 PolarHBondContact O-N 3.43Å |
| 30 | F | 79.8 | Confident | 74.8 | Confident | 102 Ų | 102 | 68.6 Ų | 68.6 | 45% | 0.447 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.9 | -34.7 | 174.6 | 178.8 | -93.3 | 0 | 0 | 0 | 112.9 | S26 L27 K28 N34 L36 | S26-F30 WeakPolarHBondContact O-CB 3.45Å; S26-F30 PolarHBondContact O-N 3.03Å; L27-F30 HydrophobicContact CD1-CD1 4.37Å; L27-F30 WeakPolarHBondContact O-CB 3.28Å; L27-F30 PolarHBondContact O-N 3.17Å; K28-F30 VanDerWaalsContact C-N 3.33Å; K28-F30 PolarHBondContact O-N 3.49Å; F30-N34 WeakPolarHBondContact CD2-ND2 3.06Å; F30-N34 WeakPolarHBondContact CE2-ND2 3.28Å; F30-N34 WeakPolarHBondContact O-CB 3.05Å; F30-N34 PolarHBondContact O-N 3Å; F30-N34 PolarHBondContact O-ND2 3.27Å; F30-L36 HydrophobicContact CD1-CD1 4.01Å; F30-L36 HydrophobicContact CE1-CD1 3.69Å |
| 31 | I | 79.2 | Confident | 74.1 | Confident | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -67.3 | -43.9 | 174.5 | -71.4 | 159.5 | 0 | 0 | 0 | 110.9 | F8 V12 L27 K28 K29 K35 L36 L37 F52 | F8-I31 HydrophobicContact CB-CD1 3.78Å; F8-I31 HydrophobicContact CB-CG1 4.07Å; F8-I31 HydrophobicContact CG-CG1 4.45Å; V12-I31 HydrophobicContact CG2-CD1 3.57Å; L27-I31 HydrophobicContact CG-CD1 4.14Å; L27-I31 WeakPolarHBondContact O-CD1 3.3Å; L27-I31 VanDerWaalsContact O-CG1 3.24Å; L27-I31 WeakPolarHBondContact O-CG1 3.38Å; L27-I31 PolarHBondContact O-N 2.9Å; K28-I31 WeakPolarHBondContact O-CB 3.22Å; K28-I31 PolarHBondContact O-N 2.94Å; K29-I31 VanDerWaalsContact C-N 3.3Å; K29-I31 PolarHBondContact O-N 3.35Å; I31-K35 WeakPolarHBondContact O-CA 3.35Å; I31-K35 PolarHBondContact O-N 2.75Å; I31-L36 HydrophobicContact CG1-CD1 4.48Å; I31-L36 HydrophobicContact CG2-CB 4.35Å; I31-L36 PolarHBondContact O-N 3.35Å; I31-L37 HydrophobicContact CG2-CD1 3.51Å; I31-L37 HydrophobicContact CG2-CG 3.6Å; I31-F52 HydrophobicContact CD1-CD2 4.3Å |
| 32 | D | 81.8 | Confident | 72.7 | Confident | 41 Ų | 41 | 69.9 Ų | 69.9 | 22% | 0.219 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -66.5 | -53 | 178 | -66.9 | -35.7 | 0 | 0 | 0 | 111.8 | K28 K29 N34 K35 T51 F52 | K28-D32 PolarHBondContact O-N 3.12Å; K29-D32 PolarHBondContact O-N 2.8Å; D32-N34 PolarHBondContact O-N 3.39Å; D32-K35 PolarHBondContact O-N 2.98Å; D32-T51 WeakPolarHBondContact OD1-CA 3.06Å; D32-F52 PolarHBondContact OD1-N 2.98Å |
| 33 | D | 79.1 | Confident | 71.1 | Confident | 115 Ų | 115 | 72.5 Ų | 72.5 | 62% | 0.615 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -58.1 | -31.7 | -179.2 | -74.8 | -16.9 | 0 | 0 | 0 | 112 | K29 | K29-D33 VanDerWaalsContact CE-OD2 3.32Å; K29-D33 WeakPolarHBondContact CE-OD2 3.33Å; K29-D33 WeakPolarHBondContact CG-OD2 3.44Å; K29-D33 VanDerWaalsContact O-CB 3.27Å; K29-D33 WeakPolarHBondContact O-CB 3.45Å; K29-D33 VanDerWaalsContact O-CG 3.26Å; K29-D33 PolarHBondContact O-N 3.43Å |
| 34 | N | 76.9 | Confident | 69.9 | Low | 88 Ų | 88 | 74.1 Ų | 74.1 | 47% | 0.471 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | 3.6 | 178.4 | -66 | -87.9 | 0 | 0 | 0 | 114 | F30 D32 L36 | F30-N34 WeakPolarHBondContact CD2-ND2 3.06Å; F30-N34 WeakPolarHBondContact CE2-ND2 3.28Å; F30-N34 WeakPolarHBondContact O-CB 3.05Å; F30-N34 PolarHBondContact O-N 3Å; F30-N34 PolarHBondContact O-ND2 3.27Å; D32-N34 PolarHBondContact O-N 3.39Å; N34-L36 VanDerWaalsContact C-N 3.26Å; N34-L36 HydrophobicContact CB-CD1 4.2Å; N34-L36 HydrophobicContact CB-CD2 4.2Å; N34-L36 HydrophobicContact CB-CG 3.78Å; N34-L36 PolarHBondContact O-N 2.9Å |
| 35 | K | 73 | Confident | 68.2 | Low | 117 Ų | 117 | 76.7 Ų | 76.7 | 51% | 0.509 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.3 | 43.1 | -175.6 | -62.7 | -160 | 175.3 | -160.3 | 0 | 114.3 | I31 D32 L37 D49 N50 | I31-K35 WeakPolarHBondContact O-CA 3.35Å; I31-K35 PolarHBondContact O-N 2.75Å; D32-K35 PolarHBondContact O-N 2.98Å; K35-L37 VanDerWaalsContact C-N 3.26Å; K35-L37 PolarHBondContact O-N 3.11Å; K35-D49 IonicContact NZ-OD1 2.64Å; K35-D49 PolarHBondContact NZ-OD1 3.06Å; K35-N50 HydrophobicContact CB-CB 4.04Å; K35-N50 HydrophobicContact CD-CB 4.43Å; K35-N50 HydrophobicContact CG-CB 4.38Å |
| 36 | L | 72 | Confident | 66.5 | Low | 65 Ų | 65 | 74.5 Ų | 74.5 | 34% | 0.34 | 42% | 0.417 | S | S | . | . | trans | -71.2 | -15.2 | -171.1 | -69.5 | 175 | 0 | 0 | 0 | 114.8 | A5 F8 F30 I31 N34 | A5-L36 VanDerWaalsContact CB-O 3.23Å; A5-L36 WeakPolarHBondContact CB-O 3.44Å; F8-L36 HydrophobicContact CD2-CD1 4.36Å; F8-L36 HydrophobicContact CE2-CD1 4.14Å; F8-L36 HydrophobicContact CZ-CD1 4.34Å; F30-L36 HydrophobicContact CD1-CD1 4.01Å; F30-L36 HydrophobicContact CE1-CD1 3.69Å; I31-L36 HydrophobicContact CG1-CD1 4.48Å; I31-L36 HydrophobicContact CG2-CB 4.35Å; I31-L36 PolarHBondContact O-N 3.35Å; N34-L36 VanDerWaalsContact C-N 3.26Å; N34-L36 HydrophobicContact CB-CD1 4.2Å; N34-L36 HydrophobicContact CB-CD2 4.2Å; N34-L36 HydrophobicContact CB-CG 3.78Å; N34-L36 PolarHBondContact O-N 2.9Å | ||
| 37 | L | 67.5 | Low | 65 | Low | 2 Ų | 2 | 75 Ų | 75 | 1% | 0.01 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -84.7 | 142.7 | 175.4 | -67.8 | 163.1 | 0 | 0 | 0 | 110.7 | A5 F9 I31 K35 N50 F52 Y55 | A5-L37 HydrophobicContact CB-CD2 4.41Å; F9-L37 HydrophobicContact CB-CD2 4.22Å; I31-L37 HydrophobicContact CG2-CD1 3.51Å; I31-L37 HydrophobicContact CG2-CG 3.6Å; K35-L37 VanDerWaalsContact C-N 3.26Å; K35-L37 PolarHBondContact O-N 3.11Å; L37-N50 WeakPolarHBondContact O-CB 3.48Å; L37-N50 VanDerWaalsContact O-CG 3.25Å; L37-N50 PolarHBondContact O-ND2 3.1Å; L37-F52 HydrophobicContact CD1-CB 4.21Å; L37-F52 HydrophobicContact CD1-CD2 4.36Å; L37-Y55 HydrophobicContact CB-CD2 3.91Å; L37-Y55 HydrophobicContact CB-CE2 4.24Å; L37-Y55 HydrophobicContact CD1-CD2 4.23Å; L37-Y55 HydrophobicContact CD1-CG 4.04Å; L37-Y55 HydrophobicContact CD2-CD1 4.17Å; L37-Y55 HydrophobicContact CD2-CD2 3.98Å; L37-Y55 HydrophobicContact CD2-CE1 4.3Å; L37-Y55 HydrophobicContact CD2-CE2 4.09Å; L37-Y55 HydrophobicContact CD2-CG 4.01Å; L37-Y55 HydrophobicContact CG-CD2 4.25Å; L37-Y55 HydrophobicContact CG-CG 4.42Å |
| 38 | P | 61.5 | Low | 63.8 | Low | 34 Ų | 34 | 78.5 Ų | 78.5 | 22% | 0.221 | 43% | 0.432 | C | S | . | . | P | Polyproline II helix | trans | -72 | 140.7 | 177.3 | 29.2 | -34.1 | 0 | 0 | 0 | 111.1 | R40 Y55 | P38-R40 PolarHBondContact O-N 2.85Å; P38-Y55 HydrophobicContact CG-CE2 4.03Å |
| 39 | S | 61.4 | Low | 62.6 | Low | 81 Ų | 81 | 80.9 Ų | 80.9 | 57% | 0.566 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 120.1 | 172.8 | 53.9 | 0 | 0 | 0 | 0 | 110.5 | N50 | S39-N50 WeakPolarHBondContact CA-OD1 3.49Å; S39-N50 WeakPolarHBondContact CB-OD1 3.42Å |
| 40 | R | 55.2 | Low | 61.8 | Low | 102 Ų | 102 | 76.6 Ų | 76.6 | 39% | 0.385 | 43% | 0.43 | S | S | . | . | trans | -108.3 | 153.2 | 173.2 | -68.3 | -170.6 | -174.1 | -105 | 7.7 | 110.8 | E6 P38 F48 Y55 L58 | E6-R40 IonicContact OE1-NH2 2.66Å; P38-R40 PolarHBondContact O-N 2.85Å; R40-F48 PolarHBondContact O-N 2.95Å; R40-Y55 HydrophobicContact CG-CE2 4.47Å; R40-Y55 PolarHBondContact NE-OH 3.11Å; R40-Y55 PolarHBondContact NH2-OH 3.06Å; R40-L58 HydrophobicContact CB-CD1 4.09Å | ||
| 41 | I | 54.4 | Low | 61.7 | Low | 114 Ų | 114 | 74.1 Ų | 74.1 | 59% | 0.585 | 42% | 0.424 | S | S | * | . | B | Isolated β-bridge | trans | -94.7 | 136 | 173.7 | -55.3 | 179.9 | 0 | 0 | 0 | 107.7 | G45 P47 | I41-G45 WeakPolarHBondContact CG2-O 3.28Å; I41-P47 HydrophobicContact CG1-CB 4.29Å |
| 42 | N | 47.3 | Very low | 61.6 | Low | 50 Ų | 50 | 74.1 Ų | 74.1 | 27% | 0.267 | 42% | 0.424 | S | S | . | . | trans | -79.4 | 174.5 | 177.4 | 73.9 | 6.8 | 0 | 0 | 0 | 112.2 | A44 G45 V46 F48 | N42-A44 PolarHBondContact O-N 2.91Å; N42-A44 WeakPolarHBondContact OD1-CA 3.5Å; N42-A44 WeakPolarHBondContact OD1-CB 3.36Å; N42-A44 PolarHBondContact OD1-N 3.38Å; N42-G45 PolarHBondContact O-N 2.87Å; N42-G45 PolarHBondContact OD1-N 3.47Å; N42-V46 PolarHBondContact N-O 3.27Å; N42-V46 PolarHBondContact OD1-N 3.16Å; N42-V46 PolarHBondContact OD1-O 3.39Å; N42-F48 WeakPolarHBondContact ND2-CE2 3.27Å | ||
| 43 | T | 42 | Very low | 61.3 | Low | 160 Ų | 160 | 76.2 Ų | 76.2 | 98% | 0.982 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -12.3 | 178.2 | 48.5 | 0 | 0 | 0 | 0 | 114.7 | ||
| 44 | A | 50.3 | Low | 60.8 | Low | 77 Ų | 77 | 73.4 Ų | 73.4 | 64% | 0.636 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | 8.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | N42 V46 | N42-A44 PolarHBondContact O-N 2.91Å; N42-A44 WeakPolarHBondContact OD1-CA 3.5Å; N42-A44 WeakPolarHBondContact OD1-CB 3.36Å; N42-A44 PolarHBondContact OD1-N 3.38Å; A44-V46 VanDerWaalsContact C-N 3.32Å; A44-V46 PolarHBondContact O-N 3.05Å |
| 45 | G | 44 | Very low | 60.4 | Low | 55 Ų | 55 | 69.7 Ų | 69.7 | 57% | 0.567 | 40% | 0.399 | S | S | * | . | S | Bend | trans | 78 | 10.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | I41 N42 | I41-G45 WeakPolarHBondContact CG2-O 3.28Å; N42-G45 PolarHBondContact O-N 2.87Å; N42-G45 PolarHBondContact OD1-N 3.47Å |
| 46 | V | 45.7 | Very low | 60.2 | Low | 71 Ų | 71 | 66.4 Ų | 66.4 | 43% | 0.43 | 39% | 0.387 | S | S | . | . | trans | -99.8 | 125.1 | -178 | -175.7 | 0 | 0 | 0 | 0 | 110.6 | N42 A44 F48 | N42-V46 PolarHBondContact N-O 3.27Å; N42-V46 PolarHBondContact OD1-N 3.16Å; N42-V46 PolarHBondContact OD1-O 3.39Å; A44-V46 VanDerWaalsContact C-N 3.32Å; A44-V46 PolarHBondContact O-N 3.05Å; V46-F48 HydrophobicContact CB-CD2 4.42Å; V46-F48 HydrophobicContact CB-CE2 4.13Å; V46-F48 HydrophobicContact CG1-CD2 4.1Å; V46-F48 HydrophobicContact CG1-CE2 3.79Å | ||
| 47 | P | 47.6 | Very low | 59.8 | Low | 93 Ų | 93 | 67.2 Ų | 67.2 | 60% | 0.604 | 40% | 0.399 | S | S | * | . | B | Isolated β-bridge | trans | -70.2 | 134.4 | 170.7 | 29.1 | -33.1 | 0 | 0 | 0 | 110.7 | I41 | I41-P47 HydrophobicContact CG1-CB 4.29Å |
| 48 | F | 55.4 | Low | 59.3 | Low | 108 Ų | 108 | 71.5 Ų | 71.5 | 47% | 0.474 | 42% | 0.421 | S | S | . | . | trans | -114 | 154.9 | 176.2 | -93.4 | -102.2 | 0 | 0 | 0 | 112 | R40 N42 V46 | R40-F48 PolarHBondContact O-N 2.95Å; N42-F48 WeakPolarHBondContact ND2-CE2 3.27Å; V46-F48 HydrophobicContact CB-CD2 4.42Å; V46-F48 HydrophobicContact CB-CE2 4.13Å; V46-F48 HydrophobicContact CG1-CD2 4.1Å; V46-F48 HydrophobicContact CG1-CE2 3.79Å | ||
| 49 | D | 58 | Low | 59 | Low | 95 Ų | 95 | 72.8 Ų | 72.8 | 51% | 0.508 | 42% | 0.424 | S | S | . | . | trans | -62.5 | 148.1 | -178.4 | -109.7 | -56.9 | 0 | 0 | 0 | 113 | K35 T51 N54 | K35-D49 IonicContact NZ-OD1 2.64Å; K35-D49 PolarHBondContact NZ-OD1 3.06Å; D49-T51 PolarHBondContact O-N 2.81Å; D49-N54 PolarHBondContact O-ND2 3.06Å | ||
| 50 | N | 66.5 | Low | 58.2 | Low | 38 Ų | 38 | 75.5 Ų | 75.5 | 20% | 0.203 | 43% | 0.432 | C | S | . | . | trans | -70.4 | 37.4 | -169.7 | -57.7 | 19.6 | 0 | 0 | 0 | 115.2 | K35 L37 S39 | K35-N50 HydrophobicContact CB-CB 4.04Å; K35-N50 HydrophobicContact CD-CB 4.43Å; K35-N50 HydrophobicContact CG-CB 4.38Å; L37-N50 WeakPolarHBondContact O-CB 3.48Å; L37-N50 VanDerWaalsContact O-CG 3.25Å; L37-N50 PolarHBondContact O-ND2 3.1Å; S39-N50 WeakPolarHBondContact CA-OD1 3.49Å; S39-N50 WeakPolarHBondContact CB-OD1 3.42Å | ||
| 51 | T | 76.1 | Confident | 57.6 | Low | 50 Ų | 50 | 75.5 Ų | 75.5 | 31% | 0.307 | 44% | 0.44 | S | S | . | . | trans | -86.6 | 149.4 | -179.4 | 64.1 | 0 | 0 | 0 | 0 | 112.7 | D32 D49 D53 N54 Y55 | D32-T51 WeakPolarHBondContact OD1-CA 3.06Å; D49-T51 PolarHBondContact O-N 2.81Å; T51-D53 VanDerWaalsContact C-N 3.32Å; T51-D53 PolarHBondContact O-N 3.05Å; T51-N54 PolarHBondContact O-N 2.8Å; T51-N54 WeakPolarHBondContact OG1-CB 3.5Å; T51-N54 VanDerWaalsContact OG1-CG 3.24Å; T51-N54 PolarHBondContact OG1-ND2 3Å; T51-N54 VanDerWaalsContact OG1-ND2 3.16Å; T51-Y55 PolarHBondContact O-N 3.25Å | ||
| 52 | F | 78.4 | Confident | 56.7 | Low | 1 Ų | 1 | 75.2 Ų | 75.2 | 0% | 0.004 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -59.1 | -40.4 | 178.8 | -176.2 | -83.8 | 0 | 0 | 0 | 112.3 | F9 V12 K28 I31 D32 L37 Y55 N56 | F9-F52 AromaticContact CD2-CD2 3.86Å; F9-F52 HydrophobicContact CD2-CD2 3.86Å; F9-F52 AromaticContact CD2-CE2 3.39Å; F9-F52 HydrophobicContact CD2-CE2 3.39Å; F9-F52 AromaticContact CD2-CZ 3.81Å; F9-F52 HydrophobicContact CD2-CZ 3.81Å; F9-F52 HydrophobicContact CE2-CD2 4.34Å; F9-F52 HydrophobicContact CE2-CE1 4.22Å; F9-F52 AromaticContact CE2-CE2 3.82Å; F9-F52 HydrophobicContact CE2-CE2 3.82Å; F9-F52 AromaticContact CE2-CZ 3.75Å; F9-F52 HydrophobicContact CE2-CZ 3.75Å; F9-F52 HydrophobicContact CG-CE2 4.22Å; V12-F52 HydrophobicContact CB-CE2 3.51Å; V12-F52 HydrophobicContact CB-CZ 3.66Å; V12-F52 HydrophobicContact CG1-CE1 4.1Å; V12-F52 HydrophobicContact CG1-CE2 3.66Å; V12-F52 HydrophobicContact CG1-CZ 3.38Å; V12-F52 HydrophobicContact CG2-CD2 4.37Å; V12-F52 HydrophobicContact CG2-CE2 3.75Å; V12-F52 HydrophobicContact CG2-CZ 4.34Å; K28-F52 HydrophobicContact CD-CB 4.44Å; K28-F52 HydrophobicContact CD-CD1 3.66Å; K28-F52 HydrophobicContact CD-CE1 4.14Å; K28-F52 HydrophobicContact CD-CG 4.13Å; K28-F52 HydrophobicContact CG-CB 3.84Å; K28-F52 HydrophobicContact CG-CD1 3.84Å; K28-F52 HydrophobicContact CG-CD2 4.37Å; K28-F52 HydrophobicContact CG-CG 3.76Å; I31-F52 HydrophobicContact CD1-CD2 4.3Å; D32-F52 PolarHBondContact OD1-N 2.98Å; L37-F52 HydrophobicContact CD1-CB 4.21Å; L37-F52 HydrophobicContact CD1-CD2 4.36Å; F52-Y55 PolarHBondContact O-N 2.99Å; F52-N56 HydrophobicContact CD1-CB 4.43Å; F52-N56 HydrophobicContact CE1-CB 4.29Å; F52-N56 VanDerWaalsContact O-CB 3.23Å; F52-N56 WeakPolarHBondContact O-CB 3.41Å; F52-N56 PolarHBondContact O-N 2.87Å |
| 53 | D | 74.5 | Confident | 56.4 | Low | 85 Ų | 85 | 79.9 Ų | 79.9 | 46% | 0.455 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -69.7 | -34.4 | 179.7 | -72.5 | -46.9 | 0 | 0 | 0 | 112.8 | K28 T51 N56 S57 | K28-D53 WeakPolarHBondContact CE-OD2 3.31Å; K28-D53 IonicContact NZ-OD1 3.27Å; K28-D53 PolarHBondContact NZ-OD1 3.05Å; K28-D53 IonicContact NZ-OD2 3.15Å; K28-D53 PolarHBondContact NZ-OD2 2.81Å; T51-D53 VanDerWaalsContact C-N 3.32Å; T51-D53 PolarHBondContact O-N 3.05Å; D53-N56 PolarHBondContact O-N 3.45Å; D53-S57 PolarHBondContact O-N 2.79Å; D53-S57 PolarHBondContact O-OG 3.22Å; D53-S57 VanDerWaalsContact O-OG 3.09Å |
| 54 | N | 69.5 | Low | 56.1 | Low | 56 Ų | 56 | 76.7 Ų | 76.7 | 30% | 0.299 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -64.8 | -42.6 | 169.8 | -73.5 | -14.2 | 0 | 0 | 0 | 110.8 | D49 T51 S57 L58 | D49-N54 PolarHBondContact O-ND2 3.06Å; T51-N54 PolarHBondContact O-N 2.8Å; T51-N54 WeakPolarHBondContact OG1-CB 3.5Å; T51-N54 VanDerWaalsContact OG1-CG 3.24Å; T51-N54 PolarHBondContact OG1-ND2 3Å; T51-N54 VanDerWaalsContact OG1-ND2 3.16Å; N54-S57 PolarHBondContact O-N 3.35Å; N54-S57 PolarHBondContact O-OG 3.4Å; N54-L58 PolarHBondContact O-N 3.21Å |
| 55 | Y | 67.8 | Low | 55.6 | Low | 9 Ų | 9 | 76.5 Ų | 76.5 | 4% | 0.035 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -67.2 | -37.9 | 178.3 | -149.4 | -84.3 | 0 | 0 | 0 | 112.6 | F9 L37 P38 R40 T51 F52 L58 H59 | F9-Y55 AromaticContact CD2-CD1 3.85Å; F9-Y55 HydrophobicContact CD2-CD1 3.85Å; F9-Y55 HydrophobicContact CE2-CD1 4.1Å; F9-Y55 HydrophobicContact CG-CD1 4.15Å; L37-Y55 HydrophobicContact CB-CD2 3.91Å; L37-Y55 HydrophobicContact CB-CE2 4.24Å; L37-Y55 HydrophobicContact CD1-CD2 4.23Å; L37-Y55 HydrophobicContact CD1-CG 4.04Å; L37-Y55 HydrophobicContact CD2-CD1 4.17Å; L37-Y55 HydrophobicContact CD2-CD2 3.98Å; L37-Y55 HydrophobicContact CD2-CE1 4.3Å; L37-Y55 HydrophobicContact CD2-CE2 4.09Å; L37-Y55 HydrophobicContact CD2-CG 4.01Å; L37-Y55 HydrophobicContact CG-CD2 4.25Å; L37-Y55 HydrophobicContact CG-CG 4.42Å; P38-Y55 HydrophobicContact CG-CE2 4.03Å; R40-Y55 HydrophobicContact CG-CE2 4.47Å; R40-Y55 PolarHBondContact NE-OH 3.11Å; R40-Y55 PolarHBondContact NH2-OH 3.06Å; T51-Y55 PolarHBondContact O-N 3.25Å; F52-Y55 PolarHBondContact O-N 2.99Å; Y55-L58 PolarHBondContact O-N 3.18Å; Y55-H59 AromaticContact CD1-CD2 3.65Å; Y55-H59 AromaticContact CE1-CD2 3.42Å; Y55-H59 VanDerWaalsContact CE1-CD2 3.42Å; Y55-H59 WeakPolarHBondContact CE1-CD2 3.36Å; Y55-H59 AromaticContact CE1-NE2 3.57Å; Y55-H59 PolarHBondContact O-N 3.19Å |
| 56 | N | 69.5 | Low | 55.5 | Low | 48 Ų | 48 | 76.7 Ų | 76.7 | 26% | 0.257 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -67.9 | -37.9 | 176.9 | -172.2 | 52.5 | 0 | 0 | 0 | 112.3 | F9 K13 F52 D53 H59 | F9-N56 HydrophobicContact CE2-CB 3.87Å; F9-N56 HydrophobicContact CZ-CB 4.15Å; K13-N56 WeakPolarHBondContact CE-OD1 3.39Å; K13-N56 PolarHBondContact NZ-OD1 3.1Å; F52-N56 HydrophobicContact CD1-CB 4.43Å; F52-N56 HydrophobicContact CE1-CB 4.29Å; F52-N56 VanDerWaalsContact O-CB 3.23Å; F52-N56 WeakPolarHBondContact O-CB 3.41Å; F52-N56 PolarHBondContact O-N 2.87Å; D53-N56 PolarHBondContact O-N 3.45Å; N56-H59 CarbonylContact O-C 3.55Å; N56-H59 PolarHBondContact O-N 2.95Å; N56-H59 VanDerWaalsContact O-O 3.12Å |
| 57 | S | 64.2 | Low | 55.3 | Low | 83 Ų | 83 | 76.5 Ų | 76.5 | 58% | 0.58 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -71.7 | -28.7 | 176.3 | 57.7 | 0 | 0 | 0 | 0 | 113.5 | D53 N54 | D53-S57 PolarHBondContact O-N 2.79Å; D53-S57 PolarHBondContact O-OG 3.22Å; D53-S57 VanDerWaalsContact O-OG 3.09Å; N54-S57 PolarHBondContact O-N 3.35Å; N54-S57 PolarHBondContact O-OG 3.4Å |
| 58 | L | 56.1 | Low | 55.2 | Low | 92 Ų | 92 | 75.8 Ų | 75.8 | 48% | 0.482 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -69.2 | -46.7 | 167.6 | -80.4 | 164.5 | 0 | 0 | 0 | 111.6 | R40 N54 Y55 N60 | R40-L58 HydrophobicContact CB-CD1 4.09Å; N54-L58 PolarHBondContact O-N 3.21Å; Y55-L58 PolarHBondContact O-N 3.18Å; L58-N60 VanDerWaalsContact C-N 3.27Å; L58-N60 PolarHBondContact O-N 2.8Å |
| 59 | H | 54.6 | Low | 54.6 | Low | 61 Ų | 61 | 77 Ų | 77 | 28% | 0.282 | 43% | 0.428 | S | S | . | . | trans | -83.6 | 68.5 | 174.2 | -76.6 | -82.3 | 0 | 0 | 0 | 111.7 | F9 Y55 N56 L61 | F9-H59 HydrophobicContact CE1-CB 4.32Å; F9-H59 HydrophobicContact CZ-CB 4.28Å; Y55-H59 AromaticContact CD1-CD2 3.65Å; Y55-H59 AromaticContact CE1-CD2 3.42Å; Y55-H59 VanDerWaalsContact CE1-CD2 3.42Å; Y55-H59 WeakPolarHBondContact CE1-CD2 3.36Å; Y55-H59 AromaticContact CE1-NE2 3.57Å; Y55-H59 PolarHBondContact O-N 3.19Å; N56-H59 CarbonylContact O-C 3.55Å; N56-H59 PolarHBondContact O-N 2.95Å; N56-H59 VanDerWaalsContact O-O 3.12Å; H59-L61 PolarHBondContact O-N 2.93Å | ||
| 60 | N | 44.4 | Very low | 53.8 | Low | 138 Ų | 138 | 78.2 Ų | 78.2 | 74% | 0.738 | 43% | 0.427 | S | S | * | . | trans | -71.7 | 42 | 172.2 | -154.7 | 9.6 | 0 | 0 | 0 | 112.5 | L58 S62 | L58-N60 VanDerWaalsContact C-N 3.27Å; L58-N60 PolarHBondContact O-N 2.8Å; N60-S62 PolarHBondContact O-N 3.05Å | ||
| 61 | L | 43.6 | Very low | 52.6 | Low | 102 Ų | 102 | 83.6 Ų | 83.6 | 53% | 0.534 | 45% | 0.445 | S | S | . | . | trans | -99.9 | 55.3 | -176.7 | -65.7 | 169.1 | 0 | 0 | 0 | 110.2 | H59 K63 | H59-L61 PolarHBondContact O-N 2.93Å; L61-K63 PolarHBondContact O-N 3.27Å | ||
| 62 | S | 35.5 | Very low | 51.1 | Low | 107 Ų | 107 | 86.4 Ų | 86.4 | 75% | 0.748 | 46% | 0.455 | S | S | * | . | trans | -68.7 | 17.3 | 174.1 | 53.3 | 0 | 0 | 0 | 0 | 114.2 | N60 | N60-S62 PolarHBondContact O-N 3.05Š| ||
| 63 | K | 40.9 | Very low | 49.4 | Very low | 149 Ų | 149 | 91.5 Ų | 91.5 | 65% | 0.648 | 48% | 0.481 | S | S | * | . | trans | -104.2 | 110.7 | -179.4 | -68.9 | -172.2 | 176.8 | -177 | 0 | 110.2 | L61 S65 V66 | L61-K63 PolarHBondContact O-N 3.27Å; K63-S65 PolarHBondContact O-N 3.17Å; K63-V66 PolarHBondContact O-N 2.77Å | ||
| 64 | P | 35.5 | Very low | 47.7 | Very low | 93 Ų | 93 | 91.5 Ų | 91.5 | 60% | 0.604 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -58.8 | -19.5 | -177.8 | -28.2 | 36.3 | 0 | 0 | 0 | 115.6 | V66 L67 V68 | P64-V66 VanDerWaalsContact C-N 3.33Å; P64-V66 PolarHBondContact O-N 3.13Å; P64-L67 WeakPolarHBondContact O-CB 3.4Å; P64-L67 PolarHBondContact O-N 2.97Å; P64-V68 WeakPolarHBondContact O-CG2 3.4Å; P64-V68 PolarHBondContact O-N 3.23Å; P64-V68 VanDerWaalsContact O-N 3.1Å |
| 65 | S | 38.8 | Very low | 46.4 | Very low | 73 Ų | 73 | 92 Ų | 92 | 51% | 0.51 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -55.9 | -42.5 | 177 | 48.6 | 0 | 0 | 0 | 0 | 113.3 | K63 V68 E69 | K63-S65 PolarHBondContact O-N 3.17Å; S65-V68 WeakPolarHBondContact O-CB 3.32Å; S65-V68 PolarHBondContact O-N 2.82Å; S65-E69 PolarHBondContact O-N 2.81Å |
| 66 | V | 42.7 | Very low | 45.1 | Very low | 58 Ų | 58 | 98.4 Ų | 98.4 | 35% | 0.352 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69 | -38.1 | -178 | -174 | 0 | 0 | 0 | 0 | 111 | K63 P64 V68 E69 Y70 | K63-V66 PolarHBondContact O-N 2.77Å; P64-V66 VanDerWaalsContact C-N 3.33Å; P64-V66 PolarHBondContact O-N 3.13Å; V66-V68 VanDerWaalsContact C-N 3.31Å; V66-V68 PolarHBondContact O-N 3.38Å; V66-E69 PolarHBondContact O-N 2.98Å; V66-Y70 PolarHBondContact O-N 3.41Å |
| 67 | L | 40.6 | Very low | 43.5 | Very low | 67 Ų | 67 | 101.3 Ų | 101.3 | 35% | 0.351 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.2 | -41.5 | 173.1 | -114.7 | 164.7 | 0 | 0 | 0 | 111.3 | L10 P64 Y71 | L10-L67 HydrophobicContact CD2-CD2 3.92Å; L10-L67 HydrophobicContact CD2-CG 4.34Å; P64-L67 WeakPolarHBondContact O-CB 3.4Å; P64-L67 PolarHBondContact O-N 2.97Å; L67-Y71 WeakPolarHBondContact O-CB 3.27Å; L67-Y71 PolarHBondContact O-N 3.26Å; L67-Y71 VanDerWaalsContact O-N 3.09Å |
| 68 | V | 45.6 | Very low | 42.4 | Very low | 78 Ų | 78 | 100.6 Ų | 100.6 | 47% | 0.473 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.5 | -42.7 | 176.2 | 170.3 | 0 | 0 | 0 | 0 | 112 | P64 S65 V66 Y71 Q72 | P64-V68 WeakPolarHBondContact O-CG2 3.4Å; P64-V68 PolarHBondContact O-N 3.23Å; P64-V68 VanDerWaalsContact O-N 3.1Å; S65-V68 WeakPolarHBondContact O-CB 3.32Å; S65-V68 PolarHBondContact O-N 2.82Å; V66-V68 VanDerWaalsContact C-N 3.31Å; V66-V68 PolarHBondContact O-N 3.38Å; V68-Y71 WeakPolarHBondContact O-CB 3.31Å; V68-Y71 PolarHBondContact O-N 3.4Å; V68-Q72 HydrophobicContact CG1-CG 4.49Å; V68-Q72 WeakPolarHBondContact O-CG 3.4Å; V68-Q72 PolarHBondContact O-N 3.35Å |
| 69 | E | 44 | Very low | 41.5 | Very low | 134 Ų | 134 | 103 Ų | 103 | 63% | 0.626 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.4 | -46.1 | 175.5 | -76.4 | -154.1 | 118.9 | 0 | 0 | 112.2 | S65 V66 Y71 Q72 L73 | S65-E69 PolarHBondContact O-N 2.81Å; V66-E69 PolarHBondContact O-N 2.98Å; E69-Y71 VanDerWaalsContact C-N 3.26Å; E69-Y71 PolarHBondContact O-N 3.26Å; E69-Q72 PolarHBondContact O-N 3.35Å; E69-Q72 VanDerWaalsContact O-N 3.12Å; E69-L73 WeakPolarHBondContact O-CB 3.34Å; E69-L73 PolarHBondContact O-N 2.86Å |
| 70 | Y | 41.9 | Very low | 40.7 | Very low | 121 Ų | 121 | 105.7 Ų | 105.7 | 48% | 0.475 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -59.8 | -39.8 | 177.1 | -136.1 | -111.3 | 0 | 0 | 0 | 111.1 | E6 L10 V66 L73 L74 | E6-Y70 PolarHBondContact OE2-OH 3.1Å; L10-Y70 HydrophobicContact CD1-CD1 4.48Å; V66-Y70 PolarHBondContact O-N 3.41Å; Y70-L73 PolarHBondContact O-N 3.28Å; Y70-L74 WeakPolarHBondContact O-CB 3.32Å; Y70-L74 PolarHBondContact O-N 3.41Å |
| 71 | Y | 41.3 | Very low | 40.2 | Very low | 151 Ų | 151 | 106.7 Ų | 106.7 | 59% | 0.592 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.6 | -43.8 | 173.9 | -131.2 | -77.5 | 0 | 0 | 0 | 112.5 | L67 V68 E69 L73 L74 V75 | L67-Y71 WeakPolarHBondContact O-CB 3.27Å; L67-Y71 PolarHBondContact O-N 3.26Å; L67-Y71 VanDerWaalsContact O-N 3.09Å; V68-Y71 WeakPolarHBondContact O-CB 3.31Å; V68-Y71 PolarHBondContact O-N 3.4Å; E69-Y71 VanDerWaalsContact C-N 3.26Å; E69-Y71 PolarHBondContact O-N 3.26Å; Y71-L73 VanDerWaalsContact C-N 3.32Å; Y71-L73 PolarHBondContact O-N 3.45Å; Y71-L74 PolarHBondContact O-N 3.36Å; Y71-V75 HydrophobicContact CD1-CG2 4.15Å; Y71-V75 WeakPolarHBondContact O-CB 3.4Å; Y71-V75 VanDerWaalsContact O-CG2 3.23Å; Y71-V75 WeakPolarHBondContact O-CG2 3.26Å; Y71-V75 PolarHBondContact O-N 3.36Å |
| 72 | Q | 43.9 | Very low | 40 | Very low | 109 Ų | 109 | 109.8 Ų | 109.8 | 51% | 0.509 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.6 | -37.6 | 176.6 | -72.4 | -177.3 | 35.5 | 0 | 0 | 112.2 | V68 E69 V75 K76 | V68-Q72 HydrophobicContact CG1-CG 4.49Å; V68-Q72 WeakPolarHBondContact O-CG 3.4Å; V68-Q72 PolarHBondContact O-N 3.35Å; E69-Q72 PolarHBondContact O-N 3.35Å; E69-Q72 VanDerWaalsContact O-N 3.12Å; Q72-V75 PolarHBondContact O-N 2.95Å; Q72-K76 WeakPolarHBondContact O-CG 3.31Å; Q72-K76 PolarHBondContact O-N 2.93Å |
| 73 | L | 41.6 | Very low | 39.9 | Very low | 107 Ų | 107 | 115.7 Ų | 115.7 | 56% | 0.56 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -69.5 | -41.8 | 179.1 | -155.3 | 153.8 | 0 | 0 | 0 | 111 | E69 Y70 Y71 K76 L77 | E69-L73 WeakPolarHBondContact O-CB 3.34Å; E69-L73 PolarHBondContact O-N 2.86Å; Y70-L73 PolarHBondContact O-N 3.28Å; Y71-L73 VanDerWaalsContact C-N 3.32Å; Y71-L73 PolarHBondContact O-N 3.45Å; L73-K76 PolarHBondContact O-N 2.9Å; L73-L77 HydrophobicContact CD2-CD1 3.93Å; L73-L77 PolarHBondContact O-N 2.88Å; L73-L77 VanDerWaalsContact O-N 3.1Å |
| 74 | L | 40.3 | Very low | 39.5 | Very low | 85 Ų | 85 | 111.2 Ų | 111.2 | 45% | 0.445 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.6 | -41.3 | 169.3 | -110.4 | 164.4 | 0 | 0 | 0 | 112.5 | Y70 Y71 L77 V78 | Y70-L74 WeakPolarHBondContact O-CB 3.32Å; Y70-L74 PolarHBondContact O-N 3.41Å; Y71-L74 PolarHBondContact O-N 3.36Å; L74-L77 PolarHBondContact O-N 3.24Å; L74-V78 VanDerWaalsContact O-CG2 3.31Å; L74-V78 WeakPolarHBondContact O-CG2 3.12Å; L74-V78 PolarHBondContact O-N 3.04Å |
| 75 | V | 42.1 | Very low | 39.2 | Very low | 67 Ų | 67 | 109.1 Ų | 109.1 | 41% | 0.406 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.5 | -40.8 | 177.5 | 165.5 | 0 | 0 | 0 | 0 | 111.5 | Y71 Q72 V78 H79 | Y71-V75 HydrophobicContact CD1-CG2 4.15Å; Y71-V75 WeakPolarHBondContact O-CB 3.4Å; Y71-V75 VanDerWaalsContact O-CG2 3.23Å; Y71-V75 WeakPolarHBondContact O-CG2 3.26Å; Y71-V75 PolarHBondContact O-N 3.36Å; Q72-V75 PolarHBondContact O-N 2.95Å; V75-V78 PolarHBondContact O-N 3.41Å; V75-H79 PolarHBondContact O-N 3.05Å; V75-H79 VanDerWaalsContact O-N 3.12Å; V75-H79 PolarHBondContact O-ND1 2.9Å |
| 76 | K | 40.7 | Very low | 38.9 | Very low | 143 Ų | 143 | 109.3 Ų | 109.3 | 62% | 0.622 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -58.8 | -52 | 172.5 | -76.6 | 173.8 | 178.5 | 173.1 | 0 | 111.4 | Q72 L73 V78 H79 D80 | Q72-K76 WeakPolarHBondContact O-CG 3.31Å; Q72-K76 PolarHBondContact O-N 2.93Å; L73-K76 PolarHBondContact O-N 2.9Å; K76-V78 PolarHBondContact O-N 2.84Å; K76-V78 VanDerWaalsContact O-N 3.14Å; K76-H79 PolarHBondContact O-N 3.23Å; K76-D80 PolarHBondContact O-N 2.85Å |
| 77 | L | 35.9 | Very low | 38.2 | Very low | 109 Ų | 109 | 113 Ų | 113 | 57% | 0.571 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -57.2 | -29.1 | 176.9 | -77.2 | 166.5 | 0 | 0 | 0 | 113.5 | L73 L74 | L73-L77 HydrophobicContact CD2-CD1 3.93Å; L73-L77 PolarHBondContact O-N 2.88Å; L73-L77 VanDerWaalsContact O-N 3.1Å; L74-L77 PolarHBondContact O-N 3.24Å |
| 78 | V | 39.5 | Very low | 37.5 | Very low | 68 Ų | 68 | 113 Ų | 113 | 41% | 0.412 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -85 | -14.7 | 177.2 | 171.5 | 0 | 0 | 0 | 0 | 113.5 | L74 V75 K76 R81 | L74-V78 VanDerWaalsContact O-CG2 3.31Å; L74-V78 WeakPolarHBondContact O-CG2 3.12Å; L74-V78 PolarHBondContact O-N 3.04Å; V75-V78 PolarHBondContact O-N 3.41Å; K76-V78 PolarHBondContact O-N 2.84Å; K76-V78 VanDerWaalsContact O-N 3.14Å; V78-R81 WeakPolarHBondContact O-CD 3.35Å; V78-R81 WeakPolarHBondContact O-CG 3.45Å; V78-R81 PolarHBondContact O-NE 2.82Å |
| 79 | H | 38.6 | Very low | 36.6 | Very low | 144 Ų | 144 | 118 Ų | 118 | 67% | 0.667 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -89.7 | -34.1 | 177.7 | -81.6 | 70.6 | 0 | 0 | 0 | 113.7 | V75 K76 R81 | V75-H79 PolarHBondContact O-N 3.05Å; V75-H79 VanDerWaalsContact O-N 3.12Å; V75-H79 PolarHBondContact O-ND1 2.9Å; K76-H79 PolarHBondContact O-N 3.23Å; H79-R81 PolarHBondContact O-N 2.85Å |
| 80 | D | 37.1 | Very low | 36 | Very low | 116 Ų | 116 | 116.8 Ų | 116.8 | 62% | 0.62 | 57% | 0.572 | S | S | * | * | trans | -74.8 | 40.8 | 177.9 | -81.8 | -47.4 | 0 | 0 | 0 | 114.5 | K76 N82 R83 C84 | K76-D80 PolarHBondContact O-N 2.85Å; D80-N82 PolarHBondContact O-N 2.79Å; D80-R83 PolarHBondContact O-N 3.16Å; D80-C84 PolarHBondContact O-N 2.88Å | ||
| 81 | R | 33.7 | Very low | 35.2 | Very low | 160 Ų | 160 | 118.2 Ų | 118.2 | 60% | 0.604 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -57.4 | -32.9 | -176.4 | -78.7 | 171.8 | 176 | -128.7 | -9.4 | 113.7 | V78 H79 R83 A85 | V78-R81 WeakPolarHBondContact O-CD 3.35Å; V78-R81 WeakPolarHBondContact O-CG 3.45Å; V78-R81 PolarHBondContact O-NE 2.82Å; H79-R81 PolarHBondContact O-N 2.85Å; R81-R83 PolarHBondContact O-N 2.9Å; R81-A85 WeakPolarHBondContact O-CB 3.45Å; R81-A85 PolarHBondContact O-N 3.44Å; R81-A85 VanDerWaalsContact O-N 3.12Å |
| 82 | N | 39.2 | Very low | 34.4 | Very low | 167 Ų | 167 | 116 Ų | 116 | 89% | 0.893 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -79.6 | -13.1 | -169.5 | -71.2 | -1.5 | 0 | 0 | 0 | 114.6 | D80 | D80-N82 PolarHBondContact O-N 2.79Å |
| 83 | R | 34.9 | Very low | 33.5 | Very low | 231 Ų | 231 | 113.7 Ų | 113.7 | 87% | 0.872 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -109.2 | -28.7 | 169.4 | -66.1 | -168 | -178.6 | -150.6 | 1.6 | 113.3 | D80 R81 | D80-R83 PolarHBondContact O-N 3.16Å; R81-R83 PolarHBondContact O-N 2.9Å |
| 84 | C | 30.7 | Very low | 32.8 | Very low | 54 Ų | 54 | 115.3 Ų | 115.3 | 37% | 0.365 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -94.9 | -4.8 | -176.6 | -64.4 | 0 | 0 | 0 | 0 | 115.4 | D80 S86 H87 L88 | D80-C84 PolarHBondContact O-N 2.88Å; C84-S86 VanDerWaalsContact C-N 3.3Å; C84-S86 PolarHBondContact O-N 2.89Å; C84-H87 PolarHBondContact O-N 2.96Å; C84-L88 HydrophobicContact CB-CD1 4.35Å; C84-L88 PolarHBondContact O-N 3.04Å |
| 85 | A | 30 | Very low | 32.1 | Very low | 50 Ų | 50 | 119 Ų | 119 | 41% | 0.413 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -64.2 | -24.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | R81 K89 | R81-A85 WeakPolarHBondContact O-CB 3.45Å; R81-A85 PolarHBondContact O-N 3.44Å; R81-A85 VanDerWaalsContact O-N 3.12Å; A85-K89 WeakPolarHBondContact O-CG 3.21Å; A85-K89 PolarHBondContact O-N 2.88Å |
| 86 | S | 31.7 | Very low | 31.3 | Very low | 76 Ų | 76 | 123.7 Ų | 123.7 | 53% | 0.531 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -68 | -53.9 | 171 | 47.7 | 0 | 0 | 0 | 0 | 110.7 | C84 K89 T90 | C84-S86 VanDerWaalsContact C-N 3.3Å; C84-S86 PolarHBondContact O-N 2.89Å; S86-K89 PolarHBondContact O-N 3.34Å; S86-T90 PolarHBondContact O-N 2.94Å; S86-T90 PolarHBondContact O-OG1 2.78Å |
| 87 | H | 28.4 | Very low | 30.6 | Very low | 135 Ų | 135 | 125.4 Ų | 125.4 | 63% | 0.625 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -66.2 | -37.5 | -179 | -67 | -79.1 | 0 | 0 | 0 | 112.9 | C84 K89 T90 L91 | C84-H87 PolarHBondContact O-N 2.96Å; H87-K89 VanDerWaalsContact C-N 3.3Å; H87-K89 PolarHBondContact O-N 2.89Å; H87-T90 PolarHBondContact O-N 2.86Å; H87-T90 PolarHBondContact O-OG1 2.86Å; H87-T90 VanDerWaalsContact O-OG1 3.07Å; H87-L91 VanDerWaalsContact O-CB 3.24Å; H87-L91 WeakPolarHBondContact O-CB 3.43Å; H87-L91 PolarHBondContact O-N 3.1Å |
| 88 | L | 26 | Very low | 30.1 | Very low | 69 Ų | 69 | 129.7 Ų | 129.7 | 36% | 0.361 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -66.2 | -30.6 | 175.8 | -74.3 | 172.1 | 0 | 0 | 0 | 112.6 | C84 I92 | C84-L88 HydrophobicContact CB-CD1 4.35Å; C84-L88 PolarHBondContact O-N 3.04Å; L88-I92 HydrophobicContact CB-CD1 4.33Å; L88-I92 HydrophobicContact CD2-CD1 4.37Å; L88-I92 VanDerWaalsContact O-CB 3.27Å; L88-I92 WeakPolarHBondContact O-CB 3.48Å; L88-I92 WeakPolarHBondContact O-CD1 3.48Å; L88-I92 VanDerWaalsContact O-CG1 3.24Å; L88-I92 WeakPolarHBondContact O-CG1 3.4Å; L88-I92 PolarHBondContact O-N 3.26Å |
| 89 | K | 28.1 | Very low | 29.4 | Very low | 181 Ų | 181 | 130.1 Ų | 130.1 | 79% | 0.787 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -68.5 | -31.8 | 174.7 | -81.1 | 179.9 | 177.5 | 179.7 | 0 | 113 | A85 S86 H87 | A85-K89 WeakPolarHBondContact O-CG 3.21Å; A85-K89 PolarHBondContact O-N 2.88Å; S86-K89 PolarHBondContact O-N 3.34Å; H87-K89 VanDerWaalsContact C-N 3.3Å; H87-K89 PolarHBondContact O-N 2.89Å |
| 90 | T | 30.1 | Very low | 28.7 | Very low | 110 Ų | 110 | 132.5 Ų | 132.5 | 68% | 0.675 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -84.4 | -43 | 174.4 | 34.6 | 0 | 0 | 0 | 0 | 112.5 | S86 H87 I92 G93 | S86-T90 PolarHBondContact O-N 2.94Å; S86-T90 PolarHBondContact O-OG1 2.78Å; H87-T90 PolarHBondContact O-N 2.86Å; H87-T90 PolarHBondContact O-OG1 2.86Å; H87-T90 VanDerWaalsContact O-OG1 3.07Å; T90-I92 PolarHBondContact O-N 2.86Å; T90-G93 PolarHBondContact O-N 2.85Å |
| 91 | L | 25.8 | Very low | 28.1 | Very low | 151 Ų | 151 | 130.4 Ų | 130.4 | 79% | 0.791 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -67 | -31.6 | -176.1 | -159.5 | 78 | 0 | 0 | 0 | 113.5 | H87 | H87-L91 VanDerWaalsContact O-CB 3.24Å; H87-L91 WeakPolarHBondContact O-CB 3.43Å; H87-L91 PolarHBondContact O-N 3.1Å |
| 92 | I | 25 | Very low | 27.6 | Very low | 103 Ų | 103 | 132.5 Ų | 132.5 | 53% | 0.528 | 70% | 0.696 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.6 | -25.9 | -176.3 | -72.2 | 174 | 0 | 0 | 0 | 112.7 | L88 T90 I94 | L88-I92 HydrophobicContact CB-CD1 4.33Å; L88-I92 HydrophobicContact CD2-CD1 4.37Å; L88-I92 VanDerWaalsContact O-CB 3.27Å; L88-I92 WeakPolarHBondContact O-CB 3.48Å; L88-I92 WeakPolarHBondContact O-CD1 3.48Å; L88-I92 VanDerWaalsContact O-CG1 3.24Å; L88-I92 WeakPolarHBondContact O-CG1 3.4Å; L88-I92 PolarHBondContact O-N 3.26Å; T90-I92 PolarHBondContact O-N 2.86Å; I92-I94 HydrophobicContact CG2-CB 4.18Å; I92-I94 HydrophobicContact CG2-CD1 3.59Å; I92-I94 HydrophobicContact CG2-CG1 3.69Å; I92-I94 PolarHBondContact O-N 2.85Å |
| 93 | G | 24.4 | Very low | 26.8 | Very low | 62 Ų | 62 | 128 Ų | 128 | 64% | 0.639 | 68% | 0.678 | S | S | * | * | trans | 62.9 | 7.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | T90 Q95 | T90-G93 PolarHBondContact O-N 2.85Å; G93-Q95 PolarHBondContact O-N 2.84Å | ||
| 94 | I | 26.7 | Very low | 26.2 | Very low | 140 Ų | 140 | 122.8 Ų | 122.8 | 72% | 0.718 | 67% | 0.672 | S | S | * | * | trans | -76.8 | 92.6 | -178.2 | -63.1 | 172.7 | 0 | 0 | 0 | 109.9 | I92 | I92-I94 HydrophobicContact CG2-CB 4.18Å; I92-I94 HydrophobicContact CG2-CD1 3.59Å; I92-I94 HydrophobicContact CG2-CG1 3.69Å; I92-I94 PolarHBondContact O-N 2.85Å | ||
| 95 | Q | 24.9 | Very low | 25.8 | Very low | 163 Ų | 163 | 125.2 Ų | 125.2 | 76% | 0.762 | 67% | 0.673 | S | S | * | * | trans | -70.4 | 147.4 | 160.1 | -86.7 | -165.2 | -8.9 | 0 | 0 | 111.5 | G93 K97 | G93-Q95 PolarHBondContact O-N 2.84Å; Q95-K97 PolarHBondContact O-N 3.02Å | ||
| 96 | N | 26.5 | Very low | 25.4 | Very low | 166 Ų | 166 | 128.1 Ų | 128.1 | 89% | 0.888 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -63.1 | 83.3 | -177.7 | -65.4 | -30.8 | 0 | 0 | 0 | 113.8 | ||
| 97 | K | 26.4 | Very low | 24.8 | Very low | 179 Ų | 179 | 130.4 Ų | 130.4 | 78% | 0.778 | 69% | 0.694 | S | S | * | * | trans | -129.4 | -15.3 | 172.1 | -78 | -168.5 | 174 | 177.8 | 0 | 117.8 | Q95 G99 | Q95-K97 PolarHBondContact O-N 3.02Å; K97-G99 VanDerWaalsContact C-N 3.3Å; K97-G99 PolarHBondContact O-N 3.18Å | ||
| 98 | F | 24 | Very low | 24.3 | Very low | 199 Ų | 199 | 131.3 Ų | 131.3 | 87% | 0.873 | 70% | 0.704 | S | S | * | * | trans | -91.9 | 38.4 | 176.3 | -72.3 | -72.7 | 0 | 0 | 0 | 114.5 | K100 | F98-K100 VanDerWaalsContact C-N 3.34Å; F98-K100 PolarHBondContact O-N 2.86Å | ||
| 99 | G | 24.8 | Very low | 24 | Very low | 76 Ų | 76 | 137.6 Ų | 137.6 | 78% | 0.784 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -85.9 | 14.5 | 179 | 0 | 0 | 0 | 0 | 0 | 116 | K97 | K97-G99 VanDerWaalsContact C-N 3.3Å; K97-G99 PolarHBondContact O-N 3.18Å |
| 100 | K | 25 | Very low | 23.6 | Very low | 194 Ų | 194 | 138 Ų | 138 | 84% | 0.843 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -135.2 | 0.8 | -173.1 | -74 | -166.3 | 172.5 | -172 | 0 | 116.5 | F98 | F98-K100 VanDerWaalsContact C-N 3.34Å; F98-K100 PolarHBondContact O-N 2.86Å |
| 101 | A | 23.8 | Very low | 23.1 | Very low | 73 Ų | 73 | 140.7 Ų | 140.7 | 60% | 0.603 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -82.3 | -19.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 102 | F | 23.2 | Very low | 22.9 | Very low | 203 Ų | 203 | 139.5 Ų | 139.5 | 89% | 0.89 | 74% | 0.739 | S | S | * | * | trans | -122.9 | 75.1 | 178.6 | -75.9 | -78.7 | 0 | 0 | 0 | 110.6 | ||||
| 103 | S | 21.9 | Very low | 22.8 | Very low | 73 Ų | 73 | 139 Ų | 139 | 51% | 0.51 | 74% | 0.744 | S | S | . | * | trans | -130.3 | 34.4 | 174.6 | -176.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 104 | T | 22.8 | Very low | 22.7 | Very low | 121 Ų | 121 | 144.5 Ų | 144.5 | 74% | 0.742 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 132.4 | 178.1 | 37.9 | 0 | 0 | 0 | 0 | 111 | C106 | T104-C106 PolarHBondContact O-N 3.18Š|
| 105 | R | 21.2 | Very low | 22.6 | Very low | 105 Ų | 105 | 143.5 Ų | 143.5 | 40% | 0.396 | 75% | 0.747 | S | S | . | * | P | Polyproline II helix | trans | -53.5 | 129.4 | 172.3 | -64.1 | 169.3 | 175.5 | 153.2 | -7.6 | 110.1 | I107 D2196 T2198 L2199 | R105-I107 HydrophobicContact CB-CG1 4.43Å; R105-D2196 IonicContact CZ-OD1 3.61Å; R105-D2196 IonicContact NH1-OD1 2.66Å; R105-D2196 PolarHBondContact NH1-OD1 3Å; R105-D2196 IonicContact NH2-OD1 3.67Å; R105-T2198 PolarHBondContact NE-OG1 3.18Å; R105-T2198 PolarHBondContact NH2-OG1 3.11Å; R105-L2199 HydrophobicContact CG-CD1 4.34Å |
| 106 | C | 22.2 | Very low | 22.8 | Very low | 111 Ų | 111 | 143.4 Ų | 143.4 | 75% | 0.75 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -82 | 117.8 | 144.6 | -81.8 | 0 | 0 | 0 | 0 | 107.1 | T104 | T104-C106 PolarHBondContact O-N 3.18Š|
| 107 | I | 19.6 | Very low | 22.8 | Very low | 124 Ų | 124 | 145.7 Ų | 145.7 | 64% | 0.636 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 149.7 | 162.1 | -68.2 | 170.1 | 0 | 0 | 0 | 107.3 | R105 F109 | R105-I107 HydrophobicContact CB-CG1 4.43Å; I107-F109 PolarHBondContact O-N 2.87Å |
| 108 | D | 18.1 | Very low | 22.8 | Very low | 154 Ų | 154 | 147.3 Ų | 147.3 | 82% | 0.824 | 75% | 0.749 | S | S | * | * | trans | -60.2 | 115.4 | -177.2 | -58.5 | -75.9 | 0 | 0 | 0 | 112.6 | ||||
| 109 | F | 19.3 | Very low | 23 | Very low | 202 Ų | 202 | 139.6 Ų | 139.6 | 89% | 0.886 | 72% | 0.72 | S | S | * | * | trans | -117.3 | 117.3 | 158 | -97.5 | -82.5 | 0 | 0 | 0 | 109 | I107 M111 | I107-F109 PolarHBondContact O-N 2.87Å; F109-M111 VanDerWaalsContact C-N 3.32Å; F109-M111 PolarHBondContact O-N 3.01Å | ||
| 110 | H | 19.8 | Very low | 23.1 | Very low | 190 Ų | 190 | 145.5 Ų | 145.5 | 88% | 0.88 | 72% | 0.718 | S | S | * | * | trans | -86.6 | 57.3 | -159.3 | -169.5 | -66.3 | 0 | 0 | 0 | 112.5 | ||||
| 111 | M | 19 | Very low | 23.2 | Very low | 165 Ų | 165 | 146.6 Ų | 146.6 | 81% | 0.813 | 72% | 0.717 | S | S | * | * | trans | -144.9 | 125.4 | 171.7 | -75.7 | -155.7 | 72.8 | 0 | 0 | 114.4 | F109 | F109-M111 VanDerWaalsContact C-N 3.32Å; F109-M111 PolarHBondContact O-N 3.01Å | ||
| 112 | V | 22.9 | Very low | 23.6 | Very low | 127 Ų | 127 | 145.4 Ų | 145.4 | 77% | 0.77 | 71% | 0.705 | S | S | * | * | trans | 60.7 | 132.2 | 152.5 | -173.1 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 113 | S | 22.3 | Very low | 23.9 | Very low | 92 Ų | 92 | 140 Ų | 140 | 64% | 0.643 | 69% | 0.685 | S | S | * | * | trans | -59.3 | 150.4 | -173.1 | -165.4 | 0 | 0 | 0 | 0 | 114.9 | D115 | S113-D115 WeakPolarHBondContact CB-OD2 3.42Å; S113-D115 PolarHBondContact O-N 3.23Å; S113-D115 PolarHBondContact OG-OD2 3.4Å | ||
| 114 | K | 21.8 | Very low | 24.2 | Very low | 177 Ų | 177 | 141.6 Ų | 141.6 | 77% | 0.77 | 69% | 0.686 | S | S | * | * | trans | -95.6 | 45.2 | -176.7 | -71.7 | 176.9 | 176.8 | 166.2 | 0 | 113.7 | H116 | K114-H116 PolarHBondContact O-N 3.38Å; K114-H116 VanDerWaalsContact O-N 3.08Å | ||
| 115 | D | 25.7 | Very low | 24.5 | Very low | 119 Ų | 119 | 139.1 Ų | 139.1 | 64% | 0.636 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | 29.8 | -175.3 | -73.5 | -63.6 | 0 | 0 | 0 | 115.5 | S113 | S113-D115 WeakPolarHBondContact CB-OD2 3.42Å; S113-D115 PolarHBondContact O-N 3.23Å; S113-D115 PolarHBondContact OG-OD2 3.4Å |
| 116 | H | 28.2 | Very low | 24.9 | Very low | 162 Ų | 162 | 138.2 Ų | 138.2 | 75% | 0.75 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.9 | 3.4 | -176.4 | -71.8 | -6.1 | 0 | 0 | 0 | 115.9 | K114 S119 | K114-H116 PolarHBondContact O-N 3.38Å; K114-H116 VanDerWaalsContact O-N 3.08Å; H116-S119 WeakPolarHBondContact O-CB 3.31Å |
| 117 | K | 27.5 | Very low | 25.1 | Very low | 214 Ų | 214 | 135.5 Ų | 135.5 | 93% | 0.93 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -98.8 | -10.3 | 170.8 | -72.2 | -163.1 | 175.2 | -173.8 | 0 | 115.9 | ||
| 118 | R | 24.8 | Very low | 25.5 | Very low | 213 Ų | 213 | 135.4 Ų | 135.4 | 80% | 0.804 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -81.6 | -22.3 | 156.4 | -80 | -178 | 170.7 | 172.7 | -3.6 | 112.2 | R120 R121 S122 | R118-R120 PolarHBondContact O-N 2.92Å; R118-R121 PolarHBondContact O-N 2.84Å; R118-S122 WeakPolarHBondContact O-CB 3.37Å; R118-S122 PolarHBondContact O-N 2.95Å |
| 119 | S | 29.4 | Very low | 25.8 | Very low | 37 Ų | 37 | 131.6 Ų | 131.6 | 26% | 0.259 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -43.7 | -56.9 | -170.5 | 175.1 | 0 | 0 | 0 | 0 | 115 | H116 R121 S122 L123 | H116-S119 WeakPolarHBondContact O-CB 3.31Å; S119-R121 PolarHBondContact O-N 3.27Å; S119-S122 CarbonylContact O-C 3.33Å; S119-S122 PolarHBondContact O-N 3.31Å; S119-L123 VanDerWaalsContact O-CB 3.29Å; S119-L123 WeakPolarHBondContact O-CB 3.46Å; S119-L123 WeakPolarHBondContact O-CD1 2.96Å; S119-L123 PolarHBondContact O-N 3.14Å |
| 120 | R | 25.9 | Very low | 26 | Very low | 199 Ų | 199 | 123.1 Ų | 123.1 | 75% | 0.751 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -68.2 | -33.8 | -174.3 | -79.9 | -168.4 | 178.2 | -176.3 | 1.2 | 115.7 | R118 I124 | R118-R120 PolarHBondContact O-N 2.92Å; R120-I124 WeakPolarHBondContact O-CG1 3.13Å; R120-I124 PolarHBondContact O-N 3.31Å; R120-I124 VanDerWaalsContact O-N 3.16Å |
| 121 | R | 28.2 | Very low | 26.1 | Very low | 217 Ų | 217 | 117 Ų | 117 | 82% | 0.819 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -80.9 | -32.2 | 173 | -84.5 | -172.2 | 177.5 | 167.9 | 1.2 | 112.4 | R118 S119 N125 | R118-R121 PolarHBondContact O-N 2.84Å; S119-R121 PolarHBondContact O-N 3.27Å; R121-N125 PolarHBondContact O-N 3.08Å; R121-N125 VanDerWaalsContact O-N 3.11Å |
| 122 | S | 31.8 | Very low | 26.3 | Very low | 49 Ų | 49 | 116.1 Ų | 116.1 | 34% | 0.343 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -69.1 | -34.2 | 171.1 | -141.3 | 0 | 0 | 0 | 0 | 111.7 | R118 S119 N125 H126 | R118-S122 WeakPolarHBondContact O-CB 3.37Å; R118-S122 PolarHBondContact O-N 2.95Å; S119-S122 CarbonylContact O-C 3.33Å; S119-S122 PolarHBondContact O-N 3.31Å; S122-N125 PolarHBondContact O-N 3.32Å; S122-H126 VanDerWaalsContact O-CB 3.23Å; S122-H126 WeakPolarHBondContact O-CB 3.45Å; S122-H126 PolarHBondContact O-N 3.4Å |
| 123 | L | 28.9 | Very low | 26.4 | Very low | 90 Ų | 90 | 117.1 Ų | 117.1 | 47% | 0.471 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.8 | -48 | 172.8 | -108.9 | 81.2 | 0 | 0 | 0 | 110.2 | S119 N125 H126 L127 | S119-L123 VanDerWaalsContact O-CB 3.29Å; S119-L123 WeakPolarHBondContact O-CB 3.46Å; S119-L123 WeakPolarHBondContact O-CD1 2.96Å; S119-L123 PolarHBondContact O-N 3.14Å; L123-N125 PolarHBondContact O-N 3.01Å; L123-H126 PolarHBondContact O-N 3.37Å; L123-L127 HydrophobicContact CB-CD1 4.18Å; L123-L127 HydrophobicContact CD2-CD1 4.26Å; L123-L127 HydrophobicContact CG-CD1 4.36Å; L123-L127 WeakPolarHBondContact O-CA 3.43Å; L123-L127 WeakPolarHBondContact O-CB 3.34Å; L123-L127 WeakPolarHBondContact O-CD1 3.35Å; L123-L127 WeakPolarHBondContact O-CG 3.28Å; L123-L127 PolarHBondContact O-N 3.33Å |
| 124 | I | 29.7 | Very low | 26.5 | Very low | 105 Ų | 105 | 116.6 Ų | 116.6 | 54% | 0.538 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.6 | -31.8 | -179.7 | -68.9 | 169.3 | 0 | 0 | 0 | 111.4 | R120 H128 | R120-I124 WeakPolarHBondContact O-CG1 3.13Å; R120-I124 PolarHBondContact O-N 3.31Å; R120-I124 VanDerWaalsContact O-N 3.16Å; I124-H128 PolarHBondContact O-N 2.81Å |
| 125 | N | 29.3 | Very low | 26.5 | Very low | 69 Ų | 69 | 112.4 Ų | 112.4 | 37% | 0.369 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -78.9 | -46.5 | 174.9 | -74 | 18.3 | 0 | 0 | 0 | 113.1 | R121 S122 L123 H128 Q129 | R121-N125 PolarHBondContact O-N 3.08Å; R121-N125 VanDerWaalsContact O-N 3.11Å; S122-N125 PolarHBondContact O-N 3.32Å; L123-N125 PolarHBondContact O-N 3.01Å; N125-H128 CarbonylContact O-C 3.57Å; N125-H128 WeakPolarHBondContact O-CA 3.33Å; N125-H128 PolarHBondContact O-N 3.22Å; N125-Q129 WeakPolarHBondContact O-CG 3.42Å; N125-Q129 PolarHBondContact O-N 2.93Å |
| 126 | H | 28.3 | Very low | 26.8 | Very low | 87 Ų | 87 | 113.7 Ų | 113.7 | 40% | 0.403 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 173.6 | -78.1 | -16.4 | 0 | 0 | 0 | 111.6 | S122 L123 H128 Q129 H130 | S122-H126 VanDerWaalsContact O-CB 3.23Å; S122-H126 WeakPolarHBondContact O-CB 3.45Å; S122-H126 PolarHBondContact O-N 3.4Å; L123-H126 PolarHBondContact O-N 3.37Å; H126-H128 PolarHBondContact O-N 3.01Å; H126-Q129 PolarHBondContact ND1-OE1 2.86Å; H126-Q129 CarbonylContact O-C 3.47Å; H126-Q129 PolarHBondContact O-N 3.23Å; H126-H130 AromaticContact CD2-CE1 3.98Å; H126-H130 AromaticContact CE1-NE2 3.91Å; H126-H130 AromaticContact CG-CE1 3.69Å; H126-H130 AromaticContact CG-NE2 3.56Å; H126-H130 AromaticContact ND1-CE1 3.9Å; H126-H130 AromaticContact ND1-NE2 3.36Å; H126-H130 PolarHBondContact ND1-NE2 2.68Å; H126-H130 VanDerWaalsContact O-CB 3.32Å; H126-H130 WeakPolarHBondContact O-CB 3.12Å; H126-H130 PolarHBondContact O-CD2 3.39Å; H126-H130 VanDerWaalsContact O-CD2 3.3Å; H126-H130 VanDerWaalsContact O-CG 3.25Å; H126-H130 PolarHBondContact O-N 3.01Å |
| 127 | L | 26.4 | Very low | 27.3 | Very low | 54 Ų | 54 | 109.5 Ų | 109.5 | 28% | 0.283 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.2 | -16.9 | 173.5 | -68.9 | 168.6 | 0 | 0 | 0 | 113 | L123 S131 | L123-L127 HydrophobicContact CB-CD1 4.18Å; L123-L127 HydrophobicContact CD2-CD1 4.26Å; L123-L127 HydrophobicContact CG-CD1 4.36Å; L123-L127 WeakPolarHBondContact O-CA 3.43Å; L123-L127 WeakPolarHBondContact O-CB 3.34Å; L123-L127 WeakPolarHBondContact O-CD1 3.35Å; L123-L127 WeakPolarHBondContact O-CG 3.28Å; L123-L127 PolarHBondContact O-N 3.33Å; L127-S131 VanDerWaalsContact O-CB 3.26Å; L127-S131 WeakPolarHBondContact O-CB 3.38Å; L127-S131 PolarHBondContact O-OG 3.42Å |
| 128 | H | 27.7 | Very low | 28.3 | Very low | 122 Ų | 122 | 101.1 Ų | 101.1 | 57% | 0.565 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -101.3 | -9.1 | 170.5 | -90.8 | -34.3 | 0 | 0 | 0 | 115 | I124 N125 H126 | I124-H128 PolarHBondContact O-N 2.81Å; N125-H128 CarbonylContact O-C 3.57Å; N125-H128 WeakPolarHBondContact O-CA 3.33Å; N125-H128 PolarHBondContact O-N 3.22Å; H126-H128 PolarHBondContact O-N 3.01Å |
| 129 | Q | 23.9 | Very low | 29.9 | Very low | 74 Ų | 74 | 91.2 Ų | 91.2 | 35% | 0.346 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -92.5 | -40.5 | 171.2 | -72 | 166.9 | -33.4 | 0 | 0 | 110.4 | N125 H126 T175 | N125-Q129 WeakPolarHBondContact O-CG 3.42Å; N125-Q129 PolarHBondContact O-N 2.93Å; H126-Q129 PolarHBondContact ND1-OE1 2.86Å; H126-Q129 CarbonylContact O-C 3.47Å; H126-Q129 PolarHBondContact O-N 3.23Å; Q129-T175 PolarHBondContact NE2-OG1 3.38Å |
| 130 | H | 24 | Very low | 31.9 | Very low | 24 Ų | 24 | 89.5 Ų | 89.5 | 11% | 0.111 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -94.1 | -13.6 | -170.8 | -50.5 | -168.2 | 0 | 0 | 0 | 113 | H126 K132 E841 T842 | H126-H130 AromaticContact CD2-CE1 3.98Å; H126-H130 AromaticContact CE1-NE2 3.91Å; H126-H130 AromaticContact CG-CE1 3.69Å; H126-H130 AromaticContact CG-NE2 3.56Å; H126-H130 AromaticContact ND1-CE1 3.9Å; H126-H130 AromaticContact ND1-NE2 3.36Å; H126-H130 PolarHBondContact ND1-NE2 2.68Å; H126-H130 VanDerWaalsContact O-CB 3.32Å; H126-H130 WeakPolarHBondContact O-CB 3.12Å; H126-H130 PolarHBondContact O-CD2 3.39Å; H126-H130 VanDerWaalsContact O-CD2 3.3Å; H126-H130 VanDerWaalsContact O-CG 3.25Å; H126-H130 PolarHBondContact O-N 3.01Å; H130-K132 PolarHBondContact O-N 2.76Å; H130-E841 VanDerWaalsContact CA-OE2 3.27Å; H130-E841 WeakPolarHBondContact CA-OE2 3.38Å; H130-E841 HydrophobicContact CB-CB 3.98Å; H130-E841 HydrophobicContact CB-CG 4.5Å; H130-E841 WeakPolarHBondContact CB-OE2 3.31Å; H130-E841 VanDerWaalsContact CD2-CD 3.44Å; H130-E841 IonicContact CD2-OE2 2.66Å; H130-E841 PolarHBondContact CD2-OE2 3.13Å; H130-E841 PolarHBondContact CE1-O 3.21Å; H130-E841 IonicContact CG-OE2 3.67Å; H130-E841 VanDerWaalsContact CG-OE2 3.27Å; H130-E841 WeakPolarHBondContact ND1-CB 3.35Å; H130-E841 PolarHBondContact ND1-O 2.92Å; H130-E841 IonicContact NE2-OE2 3.46Å; H130-T842 HydrophobicContact CB-CG2 4.43Å |
| 131 | S | 23 | Very low | 33.8 | Very low | 62 Ų | 62 | 84.7 Ų | 84.7 | 43% | 0.434 | 41% | 0.406 | S | S | . | . | trans | -76.8 | 58.8 | 173.5 | 53.4 | 0 | 0 | 0 | 0 | 112.9 | L127 L133 | L127-S131 VanDerWaalsContact O-CB 3.26Å; L127-S131 WeakPolarHBondContact O-CB 3.38Å; L127-S131 PolarHBondContact O-OG 3.42Å; S131-L133 VanDerWaalsContact C-N 3.33Å; S131-L133 PolarHBondContact O-N 3.01Å | ||
| 132 | K | 22.7 | Very low | 36.2 | Very low | 145 Ų | 145 | 76.9 Ų | 76.9 | 63% | 0.63 | 38% | 0.383 | S | S | * | . | trans | -81.6 | 69.4 | -170.1 | -163.9 | 177.1 | -174.4 | 177.2 | 0 | 111.6 | H130 Q134 | H130-K132 PolarHBondContact O-N 2.76Å; K132-Q134 PolarHBondContact O-N 3.22Å | ||
| 133 | L | 25.4 | Very low | 38.7 | Very low | 149 Ų | 149 | 75 Ų | 75 | 78% | 0.78 | 37% | 0.369 | S | S | * | . | trans | -40.3 | 118.2 | 179.8 | -87.1 | 164.3 | 0 | 0 | 0 | 112.9 | S131 F135 | S131-L133 VanDerWaalsContact C-N 3.33Å; S131-L133 PolarHBondContact O-N 3.01Å; L133-F135 PolarHBondContact O-N 3.33Å | ||
| 134 | Q | 23.8 | Very low | 41.5 | Very low | 80 Ų | 80 | 70.7 Ų | 70.7 | 37% | 0.374 | 35% | 0.347 | S | S | . | . | trans | -73.4 | 95.7 | -168.8 | -70.4 | -175 | -2.4 | 0 | 0 | 113.3 | K132 H136 T837 | K132-Q134 PolarHBondContact O-N 3.22Å; Q134-H136 VanDerWaalsContact C-N 3.28Å; Q134-H136 PolarHBondContact O-N 3.06Å; Q134-H136 PolarHBondContact O-ND1 3.31Å; Q134-T837 PolarHBondContact NE2-OG1 3.3Å; Q134-T837 VanDerWaalsContact NE2-OG1 3.08Å | ||
| 135 | F | 22.5 | Very low | 44.3 | Very low | 89 Ų | 89 | 69.9 Ų | 69.9 | 39% | 0.39 | 34% | 0.338 | S | S | . | . | trans | 43.4 | 23.1 | 140.3 | -67.6 | -74.3 | 0 | 0 | 0 | 121.7 | L133 I137 L138 L529 | L133-F135 PolarHBondContact O-N 3.33Å; F135-I137 VanDerWaalsContact C-N 3.32Å; F135-I137 PolarHBondContact O-N 2.97Å; F135-L138 HydrophobicContact CD1-CD1 4.02Å; F135-L138 HydrophobicContact CE1-CD1 4.43Å; F135-L529 HydrophobicContact CD2-CD2 4.19Å; F135-L529 HydrophobicContact CE2-CD2 3.74Å; F135-L529 HydrophobicContact CZ-CD2 4.32Å | ||
| 136 | H | 31.8 | Very low | 47.1 | Very low | 146 Ų | 146 | 67.1 Ų | 67.1 | 68% | 0.676 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -67.8 | 84.2 | 170.3 | -94 | 68.1 | 0 | 0 | 0 | 112.5 | Q134 L138 | Q134-H136 VanDerWaalsContact C-N 3.28Å; Q134-H136 PolarHBondContact O-N 3.06Å; Q134-H136 PolarHBondContact O-ND1 3.31Å; H136-L138 PolarHBondContact O-N 2.91Å |
| 137 | I | 38.6 | Very low | 50.2 | Low | 74 Ų | 74 | 63.8 Ų | 63.8 | 38% | 0.379 | 31% | 0.309 | S | S | . | . | S | Bend | trans | 50.6 | 49.3 | 170 | -38.6 | -175.5 | 0 | 0 | 0 | 113.3 | F135 A139 K166 F524 | F135-I137 VanDerWaalsContact C-N 3.32Å; F135-I137 PolarHBondContact O-N 2.97Å; I137-A139 PolarHBondContact O-N 3.15Å; I137-K166 PolarHBondContact O-NZ 3.18Å; I137-F524 HydrophobicContact CG2-CD2 3.85Å; I137-F524 HydrophobicContact CG2-CE2 3.84Å |
| 138 | L | 48.1 | Very low | 53.3 | Low | 39 Ų | 39 | 62.6 Ų | 62.6 | 20% | 0.204 | 30% | 0.302 | C | S | . | . | trans | -65.3 | -38.5 | -173.2 | -61.3 | 175.6 | 0 | 0 | 0 | 113.1 | F135 H136 K166 W168 L180 Y522 | F135-L138 HydrophobicContact CD1-CD1 4.02Å; F135-L138 HydrophobicContact CE1-CD1 4.43Å; H136-L138 PolarHBondContact O-N 2.91Å; L138-K166 VanDerWaalsContact C-NZ 3.32Å; L138-K166 PolarHBondContact O-NZ 3.48Å; L138-W168 WeakPolarHBondContact O-CH2 3.31Å; L138-L180 HydrophobicContact CD2-CB 3.91Å; L138-L180 HydrophobicContact CD2-CD2 4.21Å; L138-Y522 HydrophobicContact CB-CD1 3.79Å; L138-Y522 HydrophobicContact CB-CE1 3.88Å; L138-Y522 HydrophobicContact CD1-CD1 4.4Å; L138-Y522 HydrophobicContact CD1-CE1 3.73Å; L138-Y522 HydrophobicContact CG-CE1 4.45Å | ||
| 139 | A | 59.1 | Low | 56.3 | Low | 4 Ų | 4 | 57 Ų | 57 | 3% | 0.033 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -78.7 | 166.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115 | I137 K166 R523 F524 | I137-A139 PolarHBondContact O-N 3.15Å; A139-K166 PolarHBondContact O-NZ 3.07Å; A139-R523 VanDerWaalsContact CB-O 3.28Å; A139-R523 WeakPolarHBondContact CB-O 3.24Å; A139-F524 HydrophobicContact CB-CB 4.21Å |
| 140 | H | 71.4 | Confident | 59.3 | Low | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | trans | -69.1 | 154.2 | 166.7 | -81.2 | -72.5 | 0 | 0 | 0 | 111.3 | I144 T158 S160 D162 T164 F524 | H140-I144 HydrophobicContact CB-CD1 4.3Å; H140-I144 HydrophobicContact CB-CG1 4.12Å; H140-T158 PolarHBondContact CD2-OG1 3.04Å; H140-T158 WeakPolarHBondContact NE2-CB 3.45Å; H140-T158 PolarHBondContact NE2-O 2.83Å; H140-T158 PolarHBondContact NE2-OG1 2.85Å; H140-S160 WeakPolarHBondContact ND1-CB 3.49Å; H140-D162 WeakPolarHBondContact CA-OD2 3.24Å; H140-D162 IonicContact CE1-OD1 2.76Å; H140-D162 IonicContact CG-OD2 3.28Å; H140-D162 IonicContact ND1-OD1 2.82Å; H140-D162 PolarHBondContact ND1-OD1 2.83Å; H140-D162 IonicContact ND1-OD2 2.69Å; H140-D162 PolarHBondContact ND1-OD2 3.13Å; H140-T164 PolarHBondContact CE1-O 2.89Å; H140-F524 WeakPolarHBondContact O-CB 3.41Å | ||
| 141 | R | 65.4 | Low | 62.2 | Low | 98 Ų | 98 | 57.1 Ų | 57.1 | 37% | 0.37 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -87.9 | -8.1 | -177.5 | -69.9 | -179 | 170.2 | 154.8 | -2.7 | 114.1 | D162 F524 | R141-D162 HydrophobicContact CB-CB 4.25Å; R141-D162 PolarHBondContact N-OD2 3.47Å; R141-F524 HydrophobicContact CB-CD1 4.08Å; R141-F524 HydrophobicContact CB-CE1 4.41Å; R141-F524 HydrophobicContact CG-CD1 3.88Å; R141-F524 HydrophobicContact CG-CD2 4.32Å; R141-F524 HydrophobicContact CG-CE1 4Å; R141-F524 HydrophobicContact CG-CE2 4.44Å; R141-F524 HydrophobicContact CG-CG 4.05Å; R141-F524 HydrophobicContact CG-CZ 4.29Å |
| 142 | T | 77.7 | Confident | 64.9 | Low | 54 Ų | 54 | 62 Ų | 62 | 33% | 0.331 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -157.5 | 177.5 | -166.2 | 42.8 | 0 | 0 | 0 | 0 | 109.8 | S160 D161 D162 G487 | T142-S160 PolarHBondContact O-OG 2.86Å; T142-S160 VanDerWaalsContact O-OG 3.09Å; T142-S160 PolarHBondContact OG1-OG 3.25Å; T142-D161 HydrophobicContact CG2-CB 4.48Å; T142-D162 PolarHBondContact OG1-N 2.76Å; T142-G487 WeakPolarHBondContact O-CA 3.34Å |
| 143 | A | 84.9 | Confident | 67.7 | Low | 8 Ų | 8 | 55.9 Ų | 55.9 | 7% | 0.066 | 26% | 0.259 | C | S | . | . | trans | -46 | 143 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y145 S160 D161 V485 | A143-Y145 HydrophobicContact CB-CE2 4.14Å; A143-S160 VanDerWaalsContact O-CA 3.26Å; A143-S160 WeakPolarHBondContact O-CA 3.35Å; A143-S160 VanDerWaalsContact O-CB 3.25Å; A143-S160 WeakPolarHBondContact O-CB 3.41Å; A143-S160 PolarHBondContact O-OG 2.83Å; A143-D161 PolarHBondContact O-N 2.68Å; A143-V485 HydrophobicContact CB-CB 4.28Å; A143-V485 HydrophobicContact CB-CG1 4.25Å; A143-V485 HydrophobicContact CB-CG2 4.29Å | ||
| 144 | I | 88.7 | Confident | 70.4 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 116.5 | 172.1 | -57 | 178.7 | 0 | 0 | 0 | 108.1 | H140 T158 G159 A469 G484 R488 F489 | H140-I144 HydrophobicContact CB-CD1 4.3Å; H140-I144 HydrophobicContact CB-CG1 4.12Å; I144-T158 HydrophobicContact CG2-CG2 4.27Å; I144-G159 WeakPolarHBondContact CA-O 3.48Å; I144-G159 WeakPolarHBondContact CG2-O 3.48Å; I144-A469 HydrophobicContact CG2-CB 4.02Å; I144-G484 PolarHBondContact N-O 3.15Å; I144-R488 WeakPolarHBondContact CD1-O 3.31Å; I144-F489 HydrophobicContact CD1-CB 3.98Å |
| 145 | Y | 87.6 | Confident | 73.3 | Confident | 88 Ų | 88 | 51.1 Ų | 51.1 | 35% | 0.345 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | -26.2 | -179.3 | -77.7 | -61.7 | 0 | 0 | 0 | 113.7 | A143 G159 D161 H468 | A143-Y145 HydrophobicContact CB-CE2 4.14Å; Y145-G159 PolarHBondContact N-O 3.31Å; Y145-D161 VanDerWaalsContact CD2-OD1 3.27Å; Y145-D161 WeakPolarHBondContact CD2-OD1 3.41Å; Y145-D161 WeakPolarHBondContact CE2-OD1 3.41Å; Y145-D161 WeakPolarHBondContact CE2-OD2 3.48Å; Y145-H468 HydrophobicContact CD1-CB 3.77Å; Y145-H468 AromaticContact CD1-CG 3.97Å; Y145-H468 HydrophobicContact CE1-CB 4.33Å; Y145-H468 AromaticContact CE1-CD2 3.84Å |
| 146 | C | 89 | Confident | 76.4 | Confident | 12 Ų | 12 | 46.9 Ų | 46.9 | 8% | 0.081 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 142.1 | -175.8 | 48.7 | 0 | 0 | 0 | 0 | 112 | T158 G159 I191 L194 | C146-T158 WeakPolarHBondContact O-CA 3.49Å; C146-G159 PolarHBondContact O-N 3.06Å; C146-I191 PolarHBondContact SG-O 3.38Å; C146-L194 HydrophobicContact CB-CB 4.33Å; C146-L194 HydrophobicContact CB-CD1 4.42Å; C146-L194 HydrophobicContact CB-CG 4.21Å |
| 147 | L | 92.1 | Very high | 79.2 | Confident | 16 Ų | 16 | 40.2 Ų | 40.2 | 8% | 0.084 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 127.8 | -174.4 | -172.4 | 165.9 | 0 | 0 | 0 | 109.7 | V156 F157 T158 A469 A481 F489 | L147-V156 HydrophobicContact CD2-CG1 3.69Å; L147-V156 HydrophobicContact CG-CG1 3.95Å; L147-F157 CarbonylContact C-O 3.6Å; L147-F157 VanDerWaalsContact CA-O 3.23Å; L147-F157 WeakPolarHBondContact CA-O 3.36Å; L147-T158 HydrophobicContact CB-CG2 4.25Å; L147-T158 HydrophobicContact CD1-CG2 3.85Å; L147-T158 HydrophobicContact CG-CG2 3.72Å; L147-A469 HydrophobicContact CB-CB 3.65Å; L147-A481 HydrophobicContact CD1-CB 4.25Å; L147-A481 HydrophobicContact CD2-CB 3.69Å; L147-F489 HydrophobicContact CD1-CD2 3.83Å; L147-F489 HydrophobicContact CD1-CE2 3.92Å |
| 148 | E | 91 | Very high | 81.6 | Confident | 30 Ų | 30 | 36.7 Ų | 36.7 | 14% | 0.14 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 144.9 | 175.2 | -157.8 | -177.3 | -166.3 | 0 | 0 | 112.1 | R151 V156 F157 T195 I196 | E148-R151 IonicContact OE1-CZ 2.82Å; E148-R151 IonicContact OE1-NH1 2.62Å; E148-R151 PolarHBondContact OE1-NH1 2.83Å; E148-R151 IonicContact OE1-NH2 2.77Å; E148-R151 PolarHBondContact OE1-NH2 2.97Å; E148-R151 IonicContact OE2-NH2 3.21Å; E148-V156 CarbonylContact O-C 3.56Å; E148-V156 WeakPolarHBondContact O-CA 3.2Å; E148-F157 PolarHBondContact N-O 2.69Å; E148-F157 PolarHBondContact O-N 3.44Å; E148-T195 VanDerWaalsContact OE2-CA 3.3Å; E148-T195 WeakPolarHBondContact OE2-CA 3.41Å; E148-I196 HydrophobicContact CB-CD1 4.24Å; E148-I196 HydrophobicContact CG-CD1 4.26Å; E148-I196 WeakPolarHBondContact OE2-CB 3.3Å; E148-I196 VanDerWaalsContact OE2-CG1 3.3Å; E148-I196 WeakPolarHBondContact OE2-CG1 3.3Å; E148-I196 PolarHBondContact OE2-N 2.71Å |
| 149 | F | 91 | Very high | 83.5 | Confident | 5 Ų | 5 | 34.9 Ų | 34.9 | 2% | 0.022 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 143.7 | 166 | -86 | -91 | 0 | 0 | 0 | 111.9 | Y155 V156 V170 I196 S471 P472 P474 I479 A481 L491 | F149-Y155 WeakPolarHBondContact CA-O 3.2Å; F149-V156 HydrophobicContact CD1-CG2 3.46Å; F149-V156 VanDerWaalsContact CD1-CG2 3.46Å; F149-V156 HydrophobicContact CD2-CG2 4.11Å; F149-V156 HydrophobicContact CE1-CG2 3.34Å; F149-V156 HydrophobicContact CE2-CG2 3.99Å; F149-V156 HydrophobicContact CG-CG2 3.85Å; F149-V156 HydrophobicContact CZ-CG2 3.62Å; F149-V170 HydrophobicContact CE1-CG2 4.3Å; F149-I196 WeakPolarHBondContact O-CD1 3.39Å; F149-S471 WeakPolarHBondContact CE2-O 3.03Å; F149-P472 WeakPolarHBondContact CD2-O 3.25Å; F149-P474 HydrophobicContact CB-CG 3.92Å; F149-P474 HydrophobicContact CG-CG 4.5Å; F149-I479 HydrophobicContact CZ-CG2 4.28Å; F149-A481 HydrophobicContact CE2-CB 3.68Å; F149-A481 HydrophobicContact CZ-CB 4.2Å; F149-L491 HydrophobicContact CZ-CD1 4.06Å |
| 150 | D | 87.1 | Confident | 84.8 | Confident | 4 Ų | 4 | 34.7 Ų | 34.7 | 2% | 0.021 | 15% | 0.154 | C | C | . | . | trans | -59.8 | 147.1 | 163.8 | 117.5 | -64.4 | 0 | 0 | 0 | 110.4 | R152 G153 N154 Y155 F157 N200 P474 | D150-R152 PolarHBondContact O-N 3.19Å; D150-R152 VanDerWaalsContact OD1-C 3.25Å; D150-R152 WeakPolarHBondContact OD1-CA 3.38Å; D150-R152 WeakPolarHBondContact OD1-CB 3.38Å; D150-R152 PolarHBondContact OD1-N 2.92Å; D150-G153 PolarHBondContact O-N 3.31Å; D150-G153 PolarHBondContact OD1-N 2.74Å; D150-N154 PolarHBondContact OD1-N 3.39Å; D150-Y155 HydrophobicContact CB-CD2 4.37Å; D150-Y155 PolarHBondContact N-O 3Å; D150-Y155 PolarHBondContact OD1-N 2.79Å; D150-F157 HydrophobicContact CB-CE2 3.82Å; D150-N200 PolarHBondContact OD2-ND2 2.7Å; D150-N200 PolarHBondContact OD2-OD1 2.96Å; D150-P474 WeakPolarHBondContact O-CG 3.47Å | ||
| 151 | R | 85.5 | Confident | 85.4 | Confident | 95 Ų | 95 | 36.5 Ų | 36.5 | 36% | 0.358 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -0.9 | -177.2 | -51 | -67.8 | 174.6 | -137.2 | -3.3 | 113.3 | E148 I196 N200 F475 | E148-R151 IonicContact OE1-CZ 2.82Å; E148-R151 IonicContact OE1-NH1 2.62Å; E148-R151 PolarHBondContact OE1-NH1 2.83Å; E148-R151 IonicContact OE1-NH2 2.77Å; E148-R151 PolarHBondContact OE1-NH2 2.97Å; E148-R151 IonicContact OE2-NH2 3.21Å; R151-I196 HydrophobicContact CG-CG2 4.09Å; R151-I196 PolarHBondContact NH2-O 2.82Å; R151-N200 HydrophobicContact CB-CB 3.93Å; R151-N200 WeakPolarHBondContact CB-OD1 3.48Å; R151-N200 HydrophobicContact CG-CB 3.97Å; R151-N200 WeakPolarHBondContact CG-OD1 3.21Å; R151-N200 PolarHBondContact N-OD1 3.46Å; R151-F475 WeakPolarHBondContact O-CE2 3.46Å; R151-F475 WeakPolarHBondContact O-CZ 3.23Å |
| 152 | R | 79.3 | Confident | 86 | Confident | 166 Ų | 166 | 33.6 Ų | 33.6 | 63% | 0.626 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -114.2 | -0.3 | 177.4 | -53.6 | 176.7 | 59.7 | -169.2 | -4.3 | 113.1 | D150 N154 F475 | D150-R152 PolarHBondContact O-N 3.19Å; D150-R152 VanDerWaalsContact OD1-C 3.25Å; D150-R152 WeakPolarHBondContact OD1-CA 3.38Å; D150-R152 WeakPolarHBondContact OD1-CB 3.38Å; D150-R152 PolarHBondContact OD1-N 2.92Å; R152-N154 VanDerWaalsContact CB-ND2 3.33Å; R152-N154 WeakPolarHBondContact CB-ND2 3.07Å; R152-N154 PolarHBondContact O-N 2.96Å; R152-N154 PolarHBondContact O-ND2 3.14Å; R152-F475 VanDerWaalsContact CA-CE2 3.45Å |
| 153 | G | 81.3 | Confident | 86.2 | Confident | 15 Ų | 15 | 35.6 Ų | 35.6 | 16% | 0.155 | 16% | 0.158 | C | C | . | . | S | Bend | trans | 67.8 | 8.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | D150 | D150-G153 PolarHBondContact O-N 3.31Å; D150-G153 PolarHBondContact OD1-N 2.74Å |
| 154 | N | 81.7 | Confident | 86 | Confident | 66 Ų | 66 | 36 Ų | 36 | 35% | 0.353 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -90.4 | -21.1 | -176.1 | -68.4 | -90.1 | 0 | 0 | 0 | 112.8 | D150 R152 V170 | D150-N154 PolarHBondContact OD1-N 3.39Å; R152-N154 VanDerWaalsContact CB-ND2 3.33Å; R152-N154 WeakPolarHBondContact CB-ND2 3.07Å; R152-N154 PolarHBondContact O-N 2.96Å; R152-N154 PolarHBondContact O-ND2 3.14Å; N154-V170 PolarHBondContact O-N 2.84Å |
| 155 | Y | 85.7 | Confident | 85.8 | Confident | 63 Ų | 63 | 36 Ų | 36 | 25% | 0.247 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 153.6 | 178.3 | -50.3 | -74.4 | 0 | 0 | 0 | 112.8 | F149 D150 V167 W168 R181 | F149-Y155 WeakPolarHBondContact CA-O 3.2Å; D150-Y155 HydrophobicContact CB-CD2 4.37Å; D150-Y155 PolarHBondContact N-O 3Å; D150-Y155 PolarHBondContact OD1-N 2.79Å; Y155-V167 HydrophobicContact CD1-CG1 4.28Å; Y155-V167 HydrophobicContact CG-CG1 4.45Å; Y155-W168 CarbonylContact C-O 3.58Å; Y155-W168 WeakPolarHBondContact CA-O 3.38Å; Y155-W168 WeakPolarHBondContact CB-O 3.39Å; Y155-R181 PolarHBondContact OH-NH1 3.49Å |
| 156 | V | 88.2 | Confident | 85.5 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 141.9 | 164.9 | 178 | 0 | 0 | 0 | 0 | 108 | L147 E148 F149 T158 W168 V170 F489 | L147-V156 HydrophobicContact CD2-CG1 3.69Å; L147-V156 HydrophobicContact CG-CG1 3.95Å; E148-V156 CarbonylContact O-C 3.56Å; E148-V156 WeakPolarHBondContact O-CA 3.2Å; F149-V156 HydrophobicContact CD1-CG2 3.46Å; F149-V156 VanDerWaalsContact CD1-CG2 3.46Å; F149-V156 HydrophobicContact CD2-CG2 4.11Å; F149-V156 HydrophobicContact CE1-CG2 3.34Å; F149-V156 HydrophobicContact CE2-CG2 3.99Å; F149-V156 HydrophobicContact CG-CG2 3.85Å; F149-V156 HydrophobicContact CZ-CG2 3.62Å; V156-T158 HydrophobicContact CG1-CG2 4.41Å; V156-W168 HydrophobicContact CB-CB 4.27Å; V156-W168 PolarHBondContact N-O 3.44Å; V156-W168 PolarHBondContact O-N 2.86Å; V156-V170 HydrophobicContact CG2-CG2 3.85Å; V156-F489 HydrophobicContact CB-CZ 4.28Å; V156-F489 HydrophobicContact CG1-CE2 3.91Å; V156-F489 HydrophobicContact CG1-CZ 4.03Å |
| 157 | F | 90.2 | Very high | 85.3 | Confident | 7 Ų | 7 | 32.3 Ų | 32.3 | 3% | 0.031 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 132.2 | 175.3 | -58.2 | -94.7 | 0 | 0 | 0 | 108.5 | L147 E148 D150 I165 K166 V167 L194 I196 L203 L217 | L147-F157 CarbonylContact C-O 3.6Å; L147-F157 VanDerWaalsContact CA-O 3.23Å; L147-F157 WeakPolarHBondContact CA-O 3.36Å; E148-F157 PolarHBondContact N-O 2.69Å; E148-F157 PolarHBondContact O-N 3.44Å; D150-F157 HydrophobicContact CB-CE2 3.82Å; F157-I165 HydrophobicContact CB-CG2 4.32Å; F157-K166 WeakPolarHBondContact CA-O 3.44Å; F157-V167 HydrophobicContact CD1-CB 4.39Å; F157-V167 HydrophobicContact CD1-CG1 4.16Å; F157-V167 HydrophobicContact CD1-CG2 3.8Å; F157-V167 HydrophobicContact CE1-CB 4.23Å; F157-V167 HydrophobicContact CE1-CG1 3.63Å; F157-V167 HydrophobicContact CE1-CG2 3.73Å; F157-V167 HydrophobicContact CZ-CG1 4.06Å; F157-L194 HydrophobicContact CB-CD1 4.27Å; F157-I196 HydrophobicContact CD2-CD1 3.51Å; F157-I196 HydrophobicContact CD2-CG1 4.49Å; F157-I196 HydrophobicContact CE2-CD1 3.71Å; F157-I196 HydrophobicContact CG-CD1 4.44Å; F157-L203 HydrophobicContact CD1-CD2 3.78Å; F157-L203 HydrophobicContact CE1-CD2 4.27Å; F157-L203 HydrophobicContact CG-CD2 4.36Å; F157-L217 HydrophobicContact CD1-CD2 4.46Å; F157-L217 HydrophobicContact CE1-CD2 3.47Å; F157-L217 VanDerWaalsContact CE1-CD2 3.47Å; F157-L217 HydrophobicContact CE2-CD2 4.29Å; F157-L217 HydrophobicContact CZ-CD2 3.38Å |
| 158 | T | 87.8 | Confident | 84.7 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 133.6 | 175.1 | 50.4 | 0 | 0 | 0 | 0 | 110.7 | H140 I144 C146 L147 V156 I165 K166 W168 F489 | H140-T158 PolarHBondContact CD2-OG1 3.04Å; H140-T158 WeakPolarHBondContact NE2-CB 3.45Å; H140-T158 PolarHBondContact NE2-O 2.83Å; H140-T158 PolarHBondContact NE2-OG1 2.85Å; I144-T158 HydrophobicContact CG2-CG2 4.27Å; C146-T158 WeakPolarHBondContact O-CA 3.49Å; L147-T158 HydrophobicContact CB-CG2 4.25Å; L147-T158 HydrophobicContact CD1-CG2 3.85Å; L147-T158 HydrophobicContact CG-CG2 3.72Å; V156-T158 HydrophobicContact CG1-CG2 4.41Å; T158-I165 CarbonylContact O-C 3.59Å; T158-I165 VanDerWaalsContact O-CA 3.26Å; T158-I165 WeakPolarHBondContact O-CA 3.31Å; T158-K166 PolarHBondContact N-O 3.45Å; T158-K166 PolarHBondContact O-N 3.08Å; T158-W168 PolarHBondContact OG1-NE1 3.32Å; T158-F489 HydrophobicContact CG2-CD2 3.9Å; T158-F489 HydrophobicContact CG2-CE2 4.24Å; T158-F489 HydrophobicContact CG2-CG 4.39Å |
| 159 | G | 89.8 | Confident | 84 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 142 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I144 Y145 C146 | I144-G159 WeakPolarHBondContact CA-O 3.48Å; I144-G159 WeakPolarHBondContact CG2-O 3.48Å; Y145-G159 PolarHBondContact N-O 3.31Å; C146-G159 PolarHBondContact O-N 3.06Å |
| 160 | S | 85.3 | Confident | 83.2 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 164 | -169.3 | -177.7 | 0 | 0 | 0 | 0 | 113.8 | H140 T142 A143 D162 Y163 I191 | H140-S160 WeakPolarHBondContact ND1-CB 3.49Å; T142-S160 PolarHBondContact O-OG 2.86Å; T142-S160 VanDerWaalsContact O-OG 3.09Å; T142-S160 PolarHBondContact OG1-OG 3.25Å; A143-S160 VanDerWaalsContact O-CA 3.26Å; A143-S160 WeakPolarHBondContact O-CA 3.35Å; A143-S160 VanDerWaalsContact O-CB 3.25Å; A143-S160 WeakPolarHBondContact O-CB 3.41Å; A143-S160 PolarHBondContact O-OG 2.83Å; S160-D162 PolarHBondContact O-N 3.42Å; S160-D162 VanDerWaalsContact O-N 3.14Å; S160-D162 PolarHBondContact OG-N 2.76Å; S160-Y163 PolarHBondContact O-N 3.42Å; S160-Y163 VanDerWaalsContact O-N 3.1Å; S160-I191 PolarHBondContact O-N 3.22Å |
| 161 | D | 83.4 | Confident | 82.1 | Confident | 40 Ų | 40 | 35.7 Ų | 35.7 | 21% | 0.214 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -5.9 | 168.9 | -59.8 | -13.6 | 0 | 0 | 0 | 114.2 | T142 A143 Y145 Y163 E190 | T142-D161 HydrophobicContact CG2-CB 4.48Å; A143-D161 PolarHBondContact O-N 2.68Å; Y145-D161 VanDerWaalsContact CD2-OD1 3.27Å; Y145-D161 WeakPolarHBondContact CD2-OD1 3.41Å; Y145-D161 WeakPolarHBondContact CE2-OD1 3.41Å; Y145-D161 WeakPolarHBondContact CE2-OD2 3.48Å; D161-Y163 WeakPolarHBondContact O-CD1 3.26Å; D161-Y163 WeakPolarHBondContact O-CE1 3.41Å; D161-Y163 PolarHBondContact O-N 2.79Å; D161-E190 HydrophobicContact CB-CG 3.97Å; D161-E190 WeakPolarHBondContact OD1-CB 3.31Å; D161-E190 VanDerWaalsContact OD1-CG 3.28Å; D161-E190 WeakPolarHBondContact OD1-CG 3.48Å |
| 162 | D | 78.5 | Confident | 80.7 | Confident | 36 Ų | 36 | 35.3 Ų | 35.3 | 19% | 0.193 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | 2.4 | 169.7 | 65.6 | 27.8 | 0 | 0 | 0 | 113 | H140 R141 T142 S160 T164 | H140-D162 WeakPolarHBondContact CA-OD2 3.24Å; H140-D162 IonicContact CE1-OD1 2.76Å; H140-D162 IonicContact CG-OD2 3.28Å; H140-D162 IonicContact ND1-OD1 2.82Å; H140-D162 PolarHBondContact ND1-OD1 2.83Å; H140-D162 IonicContact ND1-OD2 2.69Å; H140-D162 PolarHBondContact ND1-OD2 3.13Å; R141-D162 HydrophobicContact CB-CB 4.25Å; R141-D162 PolarHBondContact N-OD2 3.47Å; T142-D162 PolarHBondContact OG1-N 2.76Å; S160-D162 PolarHBondContact O-N 3.42Å; S160-D162 VanDerWaalsContact O-N 3.14Å; S160-D162 PolarHBondContact OG-N 2.76Å; D162-T164 PolarHBondContact O-N 2.86Å; D162-T164 WeakPolarHBondContact OD1-CB 3.34Å; D162-T164 PolarHBondContact OD1-N 3.43Å; D162-T164 VanDerWaalsContact OD1-N 3.15Å; D162-T164 PolarHBondContact OD1-OG1 3.36Å |
| 163 | Y | 81.4 | Confident | 79.3 | Confident | 97 Ų | 97 | 30.2 Ų | 30.2 | 38% | 0.38 | 18% | 0.176 | S | C | . | . | S | Bend | trans | 65.9 | 22 | 178.9 | -42.7 | -19.8 | 0 | 0 | 0 | 112.9 | S160 D161 A189 E190 | S160-Y163 PolarHBondContact O-N 3.42Å; S160-Y163 VanDerWaalsContact O-N 3.1Å; D161-Y163 WeakPolarHBondContact O-CD1 3.26Å; D161-Y163 WeakPolarHBondContact O-CE1 3.41Å; D161-Y163 PolarHBondContact O-N 2.79Å; Y163-A189 WeakPolarHBondContact CD1-O 3.48Å; Y163-A189 VanDerWaalsContact CE1-C 3.42Å; Y163-E190 HydrophobicContact CE1-CG 4.28Å |
| 164 | T | 80.8 | Confident | 77.6 | Confident | 16 Ų | 16 | 34.6 Ų | 34.6 | 10% | 0.098 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 150.2 | 178.7 | 78.3 | 0 | 0 | 0 | 0 | 112.7 | H140 D162 T183 L184 R185 I191 | H140-T164 PolarHBondContact CE1-O 2.89Å; D162-T164 PolarHBondContact O-N 2.86Å; D162-T164 WeakPolarHBondContact OD1-CB 3.34Å; D162-T164 PolarHBondContact OD1-N 3.43Å; D162-T164 VanDerWaalsContact OD1-N 3.15Å; D162-T164 PolarHBondContact OD1-OG1 3.36Å; T164-T183 HydrophobicContact CG2-CG2 4.06Å; T164-L184 WeakPolarHBondContact CA-O 3.49Å; T164-R185 HydrophobicContact CG2-CG 4.04Å; T164-I191 WeakPolarHBondContact O-CD1 3.29Å |
| 165 | I | 85.6 | Confident | 76 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 122.3 | 166.9 | -50 | 170.1 | 0 | 0 | 0 | 107.4 | F157 T158 T183 L184 I191 L194 L203 W215 | F157-I165 HydrophobicContact CB-CG2 4.32Å; T158-I165 CarbonylContact O-C 3.59Å; T158-I165 VanDerWaalsContact O-CA 3.26Å; T158-I165 WeakPolarHBondContact O-CA 3.31Å; I165-T183 CarbonylContact O-C 3.58Å; I165-T183 WeakPolarHBondContact O-CA 3.23Å; I165-L184 HydrophobicContact CB-CB 4.12Å; I165-L184 HydrophobicContact CB-CD1 4.32Å; I165-L184 HydrophobicContact CB-CG 4.34Å; I165-L184 HydrophobicContact CD1-CD1 4.33Å; I165-L184 PolarHBondContact N-O 3.38Å; I165-L184 PolarHBondContact O-N 3.4Å; I165-I191 HydrophobicContact CD1-CD1 4.35Å; I165-I191 HydrophobicContact CG1-CD1 3.44Å; I165-I191 VanDerWaalsContact CG1-CD1 3.44Å; I165-L194 HydrophobicContact CD1-CD2 3.76Å; I165-L194 HydrophobicContact CG1-CD2 4.18Å; I165-L194 HydrophobicContact CG2-CD1 4.14Å; I165-L194 HydrophobicContact CG2-CD2 4.41Å; I165-L203 HydrophobicContact CD1-CD2 4.18Å; I165-L203 HydrophobicContact CG2-CD2 4.33Å; I165-W215 HydrophobicContact CD1-CZ2 4.24Å |
| 166 | K | 81.4 | Confident | 74.5 | Confident | 12 Ų | 12 | 33.4 Ų | 33.4 | 5% | 0.052 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 135.3 | 173 | -73.9 | -172.5 | 170.1 | -156.8 | 0 | 110.9 | I137 L138 A139 F157 T158 W168 L180 T183 | I137-K166 PolarHBondContact O-NZ 3.18Å; L138-K166 VanDerWaalsContact C-NZ 3.32Å; L138-K166 PolarHBondContact O-NZ 3.48Å; A139-K166 PolarHBondContact O-NZ 3.07Å; F157-K166 WeakPolarHBondContact CA-O 3.44Å; T158-K166 PolarHBondContact N-O 3.45Å; T158-K166 PolarHBondContact O-N 3.08Å; K166-W168 HydrophobicContact CB-CZ2 4.18Å; K166-W168 HydrophobicContact CD-CZ2 4.07Å; K166-L180 HydrophobicContact CB-CD1 3.7Å; K166-L180 HydrophobicContact CD-CD1 3.95Å; K166-L180 HydrophobicContact CD-CD2 4.34Å; K166-L180 HydrophobicContact CG-CD1 3.94Å; K166-T183 HydrophobicContact CG-CG2 4.19Å |
| 167 | V | 83.7 | Confident | 73.2 | Confident | 10 Ų | 10 | 35 Ų | 35 | 6% | 0.061 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 109.9 | 178.1 | -171.5 | 0 | 0 | 0 | 0 | 107.9 | Y155 F157 R181 H182 L184 | Y155-V167 HydrophobicContact CD1-CG1 4.28Å; Y155-V167 HydrophobicContact CG-CG1 4.45Å; F157-V167 HydrophobicContact CD1-CB 4.39Å; F157-V167 HydrophobicContact CD1-CG1 4.16Å; F157-V167 HydrophobicContact CD1-CG2 3.8Å; F157-V167 HydrophobicContact CE1-CB 4.23Å; F157-V167 HydrophobicContact CE1-CG1 3.63Å; F157-V167 HydrophobicContact CE1-CG2 3.73Å; F157-V167 HydrophobicContact CZ-CG1 4.06Å; V167-R181 WeakPolarHBondContact O-CA 3.32Å; V167-R181 WeakPolarHBondContact O-CB 3.46Å; V167-R181 PolarHBondContact O-N 3.45Å; V167-H182 HydrophobicContact CB-CB 4.1Å; V167-H182 HydrophobicContact CG2-CB 4.13Å; V167-H182 PolarHBondContact N-O 2.95Å; V167-H182 PolarHBondContact O-N 3.26Å; V167-L184 HydrophobicContact CG2-CD1 4.39Å; V167-L184 HydrophobicContact CG2-CD2 4.36Å; V167-L184 HydrophobicContact CG2-CG 4.14Å |
| 168 | W | 80.4 | Confident | 72.2 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 134.7 | 179 | -49.2 | 87.5 | 0 | 0 | 0 | 109.2 | L138 Y155 V156 T158 K166 T179 L180 F489 Y522 | L138-W168 WeakPolarHBondContact O-CH2 3.31Å; Y155-W168 CarbonylContact C-O 3.58Å; Y155-W168 WeakPolarHBondContact CA-O 3.38Å; Y155-W168 WeakPolarHBondContact CB-O 3.39Å; V156-W168 HydrophobicContact CB-CB 4.27Å; V156-W168 PolarHBondContact N-O 3.44Å; V156-W168 PolarHBondContact O-N 2.86Å; T158-W168 PolarHBondContact OG1-NE1 3.32Å; K166-W168 HydrophobicContact CB-CZ2 4.18Å; K166-W168 HydrophobicContact CD-CZ2 4.07Å; W168-T179 CarbonylContact C-O 3.39Å; W168-T179 VanDerWaalsContact CA-O 3.29Å; W168-T179 WeakPolarHBondContact CA-O 3.19Å; W168-L180 HydrophobicContact CD2-CD1 4.15Å; W168-L180 HydrophobicContact CE3-CB 4.02Å; W168-L180 HydrophobicContact CE3-CD1 4.15Å; W168-L180 HydrophobicContact CH2-CD1 4.5Å; W168-L180 HydrophobicContact CZ2-CD1 4.47Å; W168-L180 HydrophobicContact CZ3-CB 4.01Å; W168-L180 HydrophobicContact CZ3-CD1 4.33Å; W168-F489 HydrophobicContact CB-CE1 4.27Å; W168-F489 AromaticContact CD1-CE1 3.97Å; W168-F489 AromaticContact CD2-CD1 3.69Å; W168-F489 HydrophobicContact CD2-CD1 3.69Å; W168-F489 AromaticContact CD2-CE1 3.54Å; W168-F489 HydrophobicContact CD2-CE1 3.54Å; W168-F489 HydrophobicContact CD2-CZ 4.44Å; W168-F489 AromaticContact CE2-CD1 3.51Å; W168-F489 AromaticContact CE2-CE1 3.8Å; W168-F489 AromaticContact CE3-CD1 3.99Å; W168-F489 HydrophobicContact CE3-CD1 3.99Å; W168-F489 AromaticContact CE3-CE1 3.92Å; W168-F489 HydrophobicContact CE3-CE1 3.92Å; W168-F489 HydrophobicContact CG-CD1 4.25Å; W168-F489 AromaticContact CG-CE1 3.69Å; W168-F489 HydrophobicContact CG-CE1 3.69Å; W168-F489 HydrophobicContact CG-CZ 4.16Å; W168-F489 AromaticContact CH2-CD1 3.94Å; W168-F489 HydrophobicContact CH2-CD1 3.94Å; W168-F489 HydrophobicContact CZ2-CB 4.24Å; W168-F489 AromaticContact CZ2-CD1 3.66Å; W168-F489 HydrophobicContact CZ2-CD1 3.66Å; W168-F489 HydrophobicContact CZ2-CE1 4.38Å; W168-F489 HydrophobicContact CZ2-CG 4.2Å; W168-F489 HydrophobicContact CZ3-CD1 4.11Å; W168-F489 HydrophobicContact CZ3-CE1 4.47Å; W168-F489 AromaticContact NE1-CD1 3.96Å; W168-Y522 HydrophobicContact CE3-CD2 4.14Å; W168-Y522 HydrophobicContact CE3-CE2 4.03Å; W168-Y522 HydrophobicContact CH2-CD1 4.3Å; W168-Y522 AromaticContact CH2-CD2 3.91Å; W168-Y522 HydrophobicContact CH2-CD2 3.91Å; W168-Y522 AromaticContact CH2-CG 3.78Å; W168-Y522 HydrophobicContact CH2-CG 3.78Å; W168-Y522 AromaticContact CZ3-CD1 3.99Å; W168-Y522 HydrophobicContact CZ3-CD1 3.99Å; W168-Y522 AromaticContact CZ3-CD2 3.48Å; W168-Y522 HydrophobicContact CZ3-CD2 3.48Å; W168-Y522 VanDerWaalsContact CZ3-CD2 3.48Å; W168-Y522 HydrophobicContact CZ3-CE1 4.17Å; W168-Y522 AromaticContact CZ3-CE2 3.64Å; W168-Y522 HydrophobicContact CZ3-CE2 3.64Å; W168-Y522 AromaticContact CZ3-CG 3.65Å; W168-Y522 HydrophobicContact CZ3-CG 3.65Å; W168-Y522 AromaticContact CZ3-CZ 3.98Å |
| 169 | S | 74.9 | Confident | 71.3 | Confident | 15 Ų | 15 | 38.2 Ų | 38.2 | 11% | 0.105 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 126.7 | 168.9 | -170.3 | 0 | 0 | 0 | 0 | 109.2 | C178 T179 | S169-C178 CarbonylContact O-C 3.55Å; S169-C178 VanDerWaalsContact O-CA 3.28Å; S169-C178 WeakPolarHBondContact O-CA 3.45Å; S169-T179 PolarHBondContact N-O 3.26Å; S169-T179 PolarHBondContact O-N 2.97Å |
| 170 | V | 74.9 | Confident | 70.3 | Confident | 12 Ų | 12 | 40.1 Ų | 40.1 | 7% | 0.073 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 125.8 | 173.6 | 179 | 0 | 0 | 0 | 0 | 108.4 | F149 N154 V156 S177 | F149-V170 HydrophobicContact CE1-CG2 4.3Å; N154-V170 PolarHBondContact O-N 2.84Å; V156-V170 HydrophobicContact CG2-CG2 3.85Å; V170-S177 WeakPolarHBondContact CA-O 3.5Å |
| 171 | K | 64.5 | Low | 69.5 | Low | 100 Ų | 100 | 46.2 Ų | 46.2 | 44% | 0.435 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 113.9 | 179 | -66.7 | -178.8 | 179.7 | 178.4 | 0 | 110.2 | S173 P176 S177 | K171-S173 PolarHBondContact O-N 3.1Å; K171-P176 WeakPolarHBondContact O-CA 3.33Å; K171-S177 PolarHBondContact N-O 2.99Å; K171-S177 PolarHBondContact O-N 2.97Å; K171-S177 VanDerWaalsContact O-N 3.09Å |
| 172 | G | 56.7 | Low | 68.8 | Low | 86 Ų | 86 | 48.8 Ų | 48.8 | 89% | 0.887 | 28% | 0.282 | S | S | * | . | trans | -74.2 | 52.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 173 | S | 48.4 | Very low | 68.4 | Low | 59 Ų | 59 | 49.5 Ų | 49.5 | 41% | 0.413 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -76 | 170.4 | 165.9 | -173.4 | 0 | 0 | 0 | 0 | 110.1 | K171 T175 | K171-S173 PolarHBondContact O-N 3.1Å; S173-T175 CarbonylContact C-O 3.57Å; S173-T175 WeakPolarHBondContact CB-O 3.12Å; S173-T175 CarbonylContact O-C 3.45Å; S173-T175 PolarHBondContact O-N 3.16Å |
| 174 | S | 45.9 | Very low | 68.1 | Low | 107 Ų | 107 | 45.7 Ų | 45.7 | 75% | 0.748 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -58.5 | -29.7 | 180 | 55.8 | 0 | 0 | 0 | 0 | 113.3 | ||
| 175 | T | 48 | Very low | 67.6 | Low | 63 Ų | 63 | 51.3 Ų | 51.3 | 39% | 0.387 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -100.5 | 115.5 | 152.7 | 48.4 | 0 | 0 | 0 | 0 | 106.9 | Q129 S173 | Q129-T175 PolarHBondContact NE2-OG1 3.38Å; S173-T175 CarbonylContact C-O 3.57Å; S173-T175 WeakPolarHBondContact CB-O 3.12Å; S173-T175 CarbonylContact O-C 3.45Å; S173-T175 PolarHBondContact O-N 3.16Å |
| 176 | P | 54.8 | Low | 66.5 | Low | 41 Ų | 41 | 54 Ų | 54 | 27% | 0.266 | 32% | 0.321 | S | S | . | . | trans | -59.5 | 143.3 | 174.7 | 26.1 | -33.4 | 0 | 0 | 0 | 108.7 | K171 L519 F520 | K171-P176 WeakPolarHBondContact O-CA 3.33Å; P176-L519 HydrophobicContact CG-CD1 4.04Å; P176-L519 HydrophobicContact CG-CD2 4.04Å; P176-L519 HydrophobicContact CG-CG 4.47Å; P176-F520 WeakPolarHBondContact O-CE2 3.49Å; P176-F520 WeakPolarHBondContact O-CZ 3.35Å | ||
| 177 | S | 60.7 | Low | 66.2 | Low | 35 Ų | 35 | 54.2 Ų | 54.2 | 25% | 0.245 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 134.4 | 170.3 | 60.2 | 0 | 0 | 0 | 0 | 111.9 | V170 K171 | V170-S177 WeakPolarHBondContact CA-O 3.5Å; K171-S177 PolarHBondContact N-O 2.99Å; K171-S177 PolarHBondContact O-N 2.97Å; K171-S177 VanDerWaalsContact O-N 3.09Å |
| 178 | C | 70 | Confident | 65.7 | Low | 2 Ų | 2 | 58.6 Ų | 58.6 | 1% | 0.014 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 132.4 | 173.6 | -170 | 0 | 0 | 0 | 0 | 108.5 | S169 F520 Y522 | S169-C178 CarbonylContact O-C 3.55Å; S169-C178 VanDerWaalsContact O-CA 3.28Å; S169-C178 WeakPolarHBondContact O-CA 3.45Å; C178-F520 HydrophobicContact CB-CB 4.29Å; C178-F520 HydrophobicContact CB-CD1 4.27Å; C178-F520 HydrophobicContact CB-CD2 3.74Å; C178-F520 HydrophobicContact CB-CE2 4.26Å; C178-F520 HydrophobicContact CB-CG 3.79Å; C178-Y522 PolarHBondContact O-OH 2.95Å |
| 179 | T | 67.4 | Low | 65.7 | Low | 71 Ų | 71 | 58.8 Ų | 58.8 | 44% | 0.436 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 149.9 | 176 | 59.7 | 0 | 0 | 0 | 0 | 111.3 | W168 S169 | W168-T179 CarbonylContact C-O 3.39Å; W168-T179 VanDerWaalsContact CA-O 3.29Å; W168-T179 WeakPolarHBondContact CA-O 3.19Å; S169-T179 PolarHBondContact N-O 3.26Å; S169-T179 PolarHBondContact O-N 2.97Å |
| 180 | L | 69.9 | Low | 66 | Low | 41 Ų | 41 | 61.7 Ų | 61.7 | 22% | 0.215 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 133.8 | 171.3 | -174.2 | 65.3 | 0 | 0 | 0 | 109.8 | L138 K166 W168 | L138-L180 HydrophobicContact CD2-CB 3.91Å; L138-L180 HydrophobicContact CD2-CD2 4.21Å; K166-L180 HydrophobicContact CB-CD1 3.7Å; K166-L180 HydrophobicContact CD-CD1 3.95Å; K166-L180 HydrophobicContact CD-CD2 4.34Å; K166-L180 HydrophobicContact CG-CD1 3.94Å; W168-L180 HydrophobicContact CD2-CD1 4.15Å; W168-L180 HydrophobicContact CE3-CB 4.02Å; W168-L180 HydrophobicContact CE3-CD1 4.15Å; W168-L180 HydrophobicContact CH2-CD1 4.5Å; W168-L180 HydrophobicContact CZ2-CD1 4.47Å; W168-L180 HydrophobicContact CZ3-CB 4.01Å; W168-L180 HydrophobicContact CZ3-CD1 4.33Å |
| 181 | R | 68.6 | Low | 66.6 | Low | 127 Ų | 127 | 61.1 Ų | 61.1 | 48% | 0.479 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | -50.9 | 179.4 | -175.4 | -173.8 | 163.6 | 127.9 | 5.5 | 112.4 | Y155 V167 | Y155-R181 PolarHBondContact OH-NH1 3.49Å; V167-R181 WeakPolarHBondContact O-CA 3.32Å; V167-R181 WeakPolarHBondContact O-CB 3.46Å; V167-R181 PolarHBondContact O-N 3.45Å |
| 182 | H | 68.2 | Low | 67.6 | Low | 94 Ų | 94 | 58.6 Ų | 58.6 | 44% | 0.435 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 160.4 | -178.9 | -58.5 | -50 | 0 | 0 | 0 | 111.2 | V167 | V167-H182 HydrophobicContact CB-CB 4.1Å; V167-H182 HydrophobicContact CG2-CB 4.13Å; V167-H182 PolarHBondContact N-O 2.95Å; V167-H182 PolarHBondContact O-N 3.26Å |
| 183 | T | 69.7 | Low | 69.1 | Low | 51 Ų | 51 | 56.5 Ų | 56.5 | 31% | 0.313 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 110 | 169.8 | -60.8 | 0 | 0 | 0 | 0 | 108.4 | T164 I165 K166 R185 | T164-T183 HydrophobicContact CG2-CG2 4.06Å; I165-T183 CarbonylContact O-C 3.58Å; I165-T183 WeakPolarHBondContact O-CA 3.23Å; K166-T183 HydrophobicContact CG-CG2 4.19Å; T183-R185 HydrophobicContact CG2-CG 4.39Å |
| 184 | L | 76.5 | Confident | 71.1 | Confident | 18 Ų | 18 | 54.4 Ų | 54.4 | 9% | 0.094 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 132.4 | 178 | -42.4 | -178.7 | 0 | 0 | 0 | 108.7 | T164 I165 V167 L203 W215 | T164-L184 WeakPolarHBondContact CA-O 3.49Å; I165-L184 HydrophobicContact CB-CB 4.12Å; I165-L184 HydrophobicContact CB-CD1 4.32Å; I165-L184 HydrophobicContact CB-CG 4.34Å; I165-L184 HydrophobicContact CD1-CD1 4.33Å; I165-L184 PolarHBondContact N-O 3.38Å; I165-L184 PolarHBondContact O-N 3.4Å; V167-L184 HydrophobicContact CG2-CD1 4.39Å; V167-L184 HydrophobicContact CG2-CD2 4.36Å; V167-L184 HydrophobicContact CG2-CG 4.14Å; L184-L203 HydrophobicContact CD1-CD2 4.25Å; L184-W215 HydrophobicContact CB-CE3 4.26Å; L184-W215 HydrophobicContact CB-CH2 4.15Å; L184-W215 HydrophobicContact CB-CZ2 4.45Å; L184-W215 HydrophobicContact CB-CZ3 4.03Å; L184-W215 HydrophobicContact CD1-CD2 3.96Å; L184-W215 HydrophobicContact CD1-CE3 4.11Å; L184-W215 HydrophobicContact CD1-CG 4.14Å |
| 185 | R | 69.2 | Low | 73.2 | Confident | 133 Ų | 133 | 50 Ų | 50 | 50% | 0.502 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 141.3 | 179.8 | -62.8 | -175.8 | 177.1 | -173.9 | -1.6 | 108.8 | T164 T183 E687 | T164-R185 HydrophobicContact CG2-CG 4.04Å; T183-R185 HydrophobicContact CG2-CG 4.39Å; R185-E687 IonicContact CZ-OE1 3.41Å; R185-E687 VanDerWaalsContact CZ-OE1 3.28Å; R185-E687 IonicContact NH1-OE1 2.78Å; R185-E687 PolarHBondContact NH1-OE1 3.14Å; R185-E687 IonicContact NH2-OE1 3.32Å; R185-E687 PolarHBondContact NH2-OE1 2.91Å |
| 186 | G | 63.8 | Low | 75.3 | Confident | 57 Ų | 57 | 47 Ų | 47 | 59% | 0.588 | 25% | 0.251 | S | S | * | . | trans | 162.5 | -28.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 187 | H | 73.9 | Confident | 76.8 | Confident | 17 Ų | 17 | 45 Ų | 45 | 8% | 0.079 | 24% | 0.238 | C | C | . | . | trans | -63.8 | 155.2 | 171.5 | -75.6 | -61.6 | 0 | 0 | 0 | 112.5 | I191 S205 D207 V213 | H187-I191 HydrophobicContact CB-CD1 4.45Å; H187-I191 HydrophobicContact CB-CG1 4.33Å; H187-S205 PolarHBondContact NE2-OG 3.3Å; H187-D207 HydrophobicContact CB-CB 4.4Å; H187-V213 VanDerWaalsContact CE1-CG2 3.47Å; H187-V213 WeakPolarHBondContact CE1-CG2 3.04Å | ||
| 188 | V | 74.3 | Confident | 77.7 | Confident | 101 Ų | 101 | 47.4 Ų | 47.4 | 61% | 0.612 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -124.2 | 12.6 | -174.7 | -154 | 0 | 0 | 0 | 0 | 111.6 | D207 N209 | V188-D207 PolarHBondContact N-OD2 3.47Å; V188-N209 PolarHBondContact O-ND2 3.48Å |
| 189 | A | 78.9 | Confident | 78.1 | Confident | 4 Ų | 4 | 50.9 Ų | 50.9 | 3% | 0.033 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -152.5 | 176 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111 | Y163 I191 D207 S208 N209 | Y163-A189 WeakPolarHBondContact CD1-O 3.48Å; Y163-A189 VanDerWaalsContact CE1-C 3.42Å; A189-I191 PolarHBondContact O-N 3.19Å; A189-D207 HydrophobicContact CB-CB 3.78Å; A189-D207 WeakPolarHBondContact CB-OD2 3.33Å; A189-D207 PolarHBondContact N-OD2 2.97Å; A189-S208 VanDerWaalsContact CB-OG 3.27Å; A189-S208 WeakPolarHBondContact CB-OG 3.33Å; A189-N209 HydrophobicContact CB-CB 4.09Å; A189-N209 WeakPolarHBondContact CB-ND2 3.43Å |
| 190 | E | 82.6 | Confident | 79 | Confident | 77 Ų | 77 | 48.8 Ų | 48.8 | 36% | 0.36 | 25% | 0.252 | S | S | . | . | trans | -54.1 | 130 | 174 | -60.8 | 104 | -157.8 | 0 | 0 | 110.8 | D161 Y163 I192 D207 S208 | D161-E190 HydrophobicContact CB-CG 3.97Å; D161-E190 WeakPolarHBondContact OD1-CB 3.31Å; D161-E190 VanDerWaalsContact OD1-CG 3.28Å; D161-E190 WeakPolarHBondContact OD1-CG 3.48Å; Y163-E190 HydrophobicContact CE1-CG 4.28Å; E190-I192 PolarHBondContact O-N 3.38Å; E190-D207 CarbonylContact O-C 3.58Å; E190-D207 WeakPolarHBondContact O-CA 3.41Å; E190-S208 PolarHBondContact O-N 3.26Å; E190-S208 WeakPolarHBondContact OE2-CB 3.41Å; E190-S208 PolarHBondContact OE2-OG 2.96Å | ||
| 191 | I | 86.4 | Confident | 79.7 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 105.9 | 178.2 | -52.9 | -174.2 | 0 | 0 | 0 | 108.7 | C146 S160 T164 I165 H187 A189 L194 | C146-I191 PolarHBondContact SG-O 3.38Å; S160-I191 PolarHBondContact O-N 3.22Å; T164-I191 WeakPolarHBondContact O-CD1 3.29Å; I165-I191 HydrophobicContact CD1-CD1 4.35Å; I165-I191 HydrophobicContact CG1-CD1 3.44Å; I165-I191 VanDerWaalsContact CG1-CD1 3.44Å; H187-I191 HydrophobicContact CB-CD1 4.45Å; H187-I191 HydrophobicContact CB-CG1 4.33Å; A189-I191 PolarHBondContact O-N 3.19Å; I191-L194 HydrophobicContact CG2-CD2 4.24Å; I191-L194 HydrophobicContact CG2-CG 4.47Å |
| 192 | I | 85.4 | Confident | 80.8 | Confident | 46 Ų | 46 | 43.6 Ų | 43.6 | 24% | 0.236 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | -32.6 | -175.2 | 57.8 | 165.7 | 0 | 0 | 0 | 112.3 | E190 I206 L235 | E190-I192 PolarHBondContact O-N 3.38Å; I192-I206 HydrophobicContact CD1-CG2 3.79Å; I192-I206 HydrophobicContact CG1-CB 4.28Å; I192-I206 HydrophobicContact CG1-CG2 3.89Å; I192-I206 WeakPolarHBondContact CG1-O 3.43Å; I192-I206 PolarHBondContact N-O 2.99Å; I192-L235 HydrophobicContact CD1-CB 4.13Å; I192-L235 VanDerWaalsContact CD1-O 3.31Å; I192-L235 WeakPolarHBondContact CD1-O 3.26Å |
| 193 | E | 87.6 | Confident | 81.9 | Confident | 43 Ų | 43 | 39.1 Ų | 39.1 | 20% | 0.201 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 149.5 | -168.2 | -148.7 | 166.9 | -177.6 | 0 | 0 | 113.7 | S205 I206 G237 L238 | E193-S205 WeakPolarHBondContact O-CA 3.41Å; E193-I206 PolarHBondContact O-N 2.86Å; E193-G237 WeakPolarHBondContact OE1-CA 3.4Å; E193-G237 WeakPolarHBondContact OE2-CA 3.31Å; E193-G237 PolarHBondContact OE2-N 3.18Å; E193-L238 HydrophobicContact CB-CB 4.27Å; E193-L238 HydrophobicContact CB-CD2 4.44Å; E193-L238 VanDerWaalsContact CD-CB 3.41Å; E193-L238 HydrophobicContact CG-CB 3.86Å; E193-L238 PolarHBondContact OE1-N 2.84Å; E193-L238 WeakPolarHBondContact OE2-CB 3.39Å; E193-L238 PolarHBondContact OE2-N 3.27Å; E193-L238 VanDerWaalsContact OE2-N 3.08Å |
| 194 | L | 91.3 | Very high | 82.9 | Confident | 15 Ų | 15 | 36.7 Ų | 36.7 | 8% | 0.079 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 142.6 | 179.3 | -67.4 | 173.6 | 0 | 0 | 0 | 109.5 | C146 F157 I165 I191 L203 A204 | C146-L194 HydrophobicContact CB-CB 4.33Å; C146-L194 HydrophobicContact CB-CD1 4.42Å; C146-L194 HydrophobicContact CB-CG 4.21Å; F157-L194 HydrophobicContact CB-CD1 4.27Å; I165-L194 HydrophobicContact CD1-CD2 3.76Å; I165-L194 HydrophobicContact CG1-CD2 4.18Å; I165-L194 HydrophobicContact CG2-CD1 4.14Å; I165-L194 HydrophobicContact CG2-CD2 4.41Å; I191-L194 HydrophobicContact CG2-CD2 4.24Å; I191-L194 HydrophobicContact CG2-CG 4.47Å; L194-L203 HydrophobicContact CB-CD1 4.42Å; L194-L203 HydrophobicContact CD2-CD1 4.31Å; L194-L203 HydrophobicContact CD2-CD2 4.49Å; L194-A204 WeakPolarHBondContact CA-O 3.35Å |
| 195 | T | 90.8 | Very high | 83.5 | Confident | 13 Ų | 13 | 35.9 Ų | 35.9 | 8% | 0.08 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 140.4 | 168.6 | -173.1 | 0 | 0 | 0 | 0 | 111.3 | E148 A204 L238 F240 L267 | E148-T195 VanDerWaalsContact OE2-CA 3.3Å; E148-T195 WeakPolarHBondContact OE2-CA 3.41Å; T195-A204 HydrophobicContact CG2-CB 3.89Å; T195-A204 PolarHBondContact N-O 3.41Å; T195-A204 PolarHBondContact O-N 2.98Å; T195-L238 HydrophobicContact CG2-CD2 3.93Å; T195-L238 HydrophobicContact CG2-CG 3.67Å; T195-F240 HydrophobicContact CG2-CD2 3.64Å; T195-F240 HydrophobicContact CG2-CE2 3.97Å; T195-F240 HydrophobicContact CG2-CG 4.47Å; T195-F240 WeakPolarHBondContact O-CE2 3.21Å; T195-L267 HydrophobicContact CG2-CD1 4.13Å |
| 196 | I | 91.5 | Very high | 84.4 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 138.2 | -177.9 | -66.9 | 164.3 | 0 | 0 | 0 | 110.9 | E148 F149 R151 F157 L203 L217 F240 | E148-I196 HydrophobicContact CB-CD1 4.24Å; E148-I196 HydrophobicContact CG-CD1 4.26Å; E148-I196 WeakPolarHBondContact OE2-CB 3.3Å; E148-I196 VanDerWaalsContact OE2-CG1 3.3Å; E148-I196 WeakPolarHBondContact OE2-CG1 3.3Å; E148-I196 PolarHBondContact OE2-N 2.71Å; F149-I196 WeakPolarHBondContact O-CD1 3.39Å; R151-I196 HydrophobicContact CG-CG2 4.09Å; R151-I196 PolarHBondContact NH2-O 2.82Å; F157-I196 HydrophobicContact CD2-CD1 3.51Å; F157-I196 HydrophobicContact CD2-CG1 4.49Å; F157-I196 HydrophobicContact CE2-CD1 3.71Å; F157-I196 HydrophobicContact CG-CD1 4.44Å; I196-L203 HydrophobicContact CD1-CD1 4.39Å; I196-L203 HydrophobicContact CG1-CD1 3.55Å; I196-L217 HydrophobicContact CG2-CD1 3.95Å; I196-F240 VanDerWaalsContact C-CD2 3.46Å |
| 197 | S | 86.1 | Confident | 85.4 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -64.6 | 153.7 | 178.5 | 60.7 | 0 | 0 | 0 | 0 | 112.1 | D199 N200 H201 L202 | S197-D199 VanDerWaalsContact CB-OD1 3.26Å; S197-D199 WeakPolarHBondContact CB-OD1 3.46Å; S197-D199 PolarHBondContact O-N 3.49Å; S197-D199 PolarHBondContact OG-OD1 2.78Å; S197-N200 WeakPolarHBondContact O-CA 3.37Å; S197-N200 PolarHBondContact O-N 3.11Å; S197-H201 PolarHBondContact OG-N 3.03Å; S197-L202 PolarHBondContact N-O 3.3Å; S197-L202 WeakPolarHBondContact OG-CB 3.45Å; S197-L202 PolarHBondContact OG-N 3.49Å; S197-L202 PolarHBondContact OG-O 3.09Å | ||
| 198 | I | 79.3 | Confident | 85.7 | Confident | 86 Ų | 86 | 28.1 Ų | 28.1 | 44% | 0.441 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -23.8 | -175.5 | -66.1 | 163.7 | 0 | 0 | 0 | 111.8 | N200 N242 | I198-N200 VanDerWaalsContact C-N 3.29Å; I198-N242 HydrophobicContact CD1-CB 4.14Å; I198-N242 VanDerWaalsContact CD1-CG 3.46Å; I198-N242 WeakPolarHBondContact CD1-OD1 3.5Å |
| 199 | D | 78.6 | Confident | 85.7 | Confident | 75 Ų | 75 | 26.8 Ų | 26.8 | 40% | 0.401 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -6.4 | 169 | 64.5 | 11.1 | 0 | 0 | 0 | 114 | S197 H201 H283 | S197-D199 VanDerWaalsContact CB-OD1 3.26Å; S197-D199 WeakPolarHBondContact CB-OD1 3.46Å; S197-D199 PolarHBondContact O-N 3.49Å; S197-D199 PolarHBondContact OG-OD1 2.78Å; D199-H201 PolarHBondContact O-CD2 3.14Å; D199-H201 VanDerWaalsContact O-CD2 3.28Å; D199-H201 PolarHBondContact O-N 3.27Å; D199-H201 PolarHBondContact OD1-N 3.41Å; D199-H283 IonicContact OD2-CE1 3.5Å; D199-H283 PolarHBondContact OD2-CE1 3.3Å; D199-H283 VanDerWaalsContact OD2-CE1 3.24Å; D199-H283 IonicContact OD2-ND1 3.52Å; D199-H283 PolarHBondContact OD2-ND1 2.82Å |
| 200 | N | 86.4 | Confident | 85.7 | Confident | 27 Ų | 27 | 26.9 Ų | 26.9 | 14% | 0.144 | 14% | 0.141 | C | C | . | . | S | Bend | trans | 57.5 | 27.4 | -178 | -159.4 | 78.7 | 0 | 0 | 0 | 114.7 | D150 R151 S197 I198 | D150-N200 PolarHBondContact OD2-ND2 2.7Å; D150-N200 PolarHBondContact OD2-OD1 2.96Å; R151-N200 HydrophobicContact CB-CB 3.93Å; R151-N200 WeakPolarHBondContact CB-OD1 3.48Å; R151-N200 HydrophobicContact CG-CB 3.97Å; R151-N200 WeakPolarHBondContact CG-OD1 3.21Å; R151-N200 PolarHBondContact N-OD1 3.46Å; S197-N200 WeakPolarHBondContact O-CA 3.37Å; S197-N200 PolarHBondContact O-N 3.11Å; I198-N200 VanDerWaalsContact C-N 3.29Å |
| 201 | H | 84.5 | Confident | 85.6 | Confident | 59 Ų | 59 | 24.1 Ų | 24.1 | 27% | 0.273 | 13% | 0.129 | S | C | . | . | S | Bend | trans | -98.8 | -23.2 | 174.2 | -84.5 | -91.9 | 0 | 0 | 0 | 113.6 | S197 D199 L217 | S197-H201 PolarHBondContact OG-N 3.03Å; D199-H201 PolarHBondContact O-CD2 3.14Å; D199-H201 VanDerWaalsContact O-CD2 3.28Å; D199-H201 PolarHBondContact O-N 3.27Å; D199-H201 PolarHBondContact OD1-N 3.41Å; H201-L217 PolarHBondContact O-N 3.06Å |
| 202 | L | 91 | Very high | 85.6 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 149.4 | -173.9 | -53.5 | 173.1 | 0 | 0 | 0 | 112.1 | S197 I214 W215 F240 Y281 H283 C308 V310 | S197-L202 PolarHBondContact N-O 3.3Å; S197-L202 WeakPolarHBondContact OG-CB 3.45Å; S197-L202 PolarHBondContact OG-N 3.49Å; S197-L202 PolarHBondContact OG-O 3.09Å; L202-I214 HydrophobicContact CB-CG2 4.09Å; L202-I214 HydrophobicContact CD1-CG2 4.23Å; L202-I214 HydrophobicContact CD2-CG2 4.18Å; L202-I214 HydrophobicContact CG-CG2 4.41Å; L202-W215 VanDerWaalsContact CA-O 3.3Å; L202-W215 WeakPolarHBondContact CA-O 3.44Å; L202-F240 HydrophobicContact CB-CZ 4.43Å; L202-Y281 HydrophobicContact CD1-CE2 4.4Å; L202-H283 HydrophobicContact CD1-CB 4.33Å; L202-C308 HydrophobicContact CD2-CB 4.06Å; L202-V310 HydrophobicContact CD1-CG2 3.61Å; L202-V310 HydrophobicContact CD2-CG2 3.84Å; L202-V310 HydrophobicContact CG-CG2 4.39Å |
| 203 | L | 91.8 | Very high | 85.6 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 122.6 | 167.6 | 173.2 | 71.6 | 0 | 0 | 0 | 108 | F157 I165 L184 L194 I196 I214 W215 L217 | F157-L203 HydrophobicContact CD1-CD2 3.78Å; F157-L203 HydrophobicContact CE1-CD2 4.27Å; F157-L203 HydrophobicContact CG-CD2 4.36Å; I165-L203 HydrophobicContact CD1-CD2 4.18Å; I165-L203 HydrophobicContact CG2-CD2 4.33Å; L184-L203 HydrophobicContact CD1-CD2 4.25Å; L194-L203 HydrophobicContact CB-CD1 4.42Å; L194-L203 HydrophobicContact CD2-CD1 4.31Å; L194-L203 HydrophobicContact CD2-CD2 4.49Å; I196-L203 HydrophobicContact CD1-CD1 4.39Å; I196-L203 HydrophobicContact CG1-CD1 3.55Å; L203-I214 CarbonylContact O-C 3.6Å; L203-I214 WeakPolarHBondContact O-CA 3.34Å; L203-W215 HydrophobicContact CB-CB 4.41Å; L203-W215 PolarHBondContact N-O 2.89Å; L203-W215 PolarHBondContact O-N 2.87Å; L203-L217 HydrophobicContact CB-CD2 3.73Å; L203-L217 HydrophobicContact CB-CG 4.16Å; L203-L217 HydrophobicContact CD2-CD2 4.47Å |
| 204 | A | 92.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 146.5 | 168 | 0 | 0 | 0 | 0 | 0 | 110.1 | L194 T195 L212 I214 L238 F240 L267 | L194-A204 WeakPolarHBondContact CA-O 3.35Å; T195-A204 HydrophobicContact CG2-CB 3.89Å; T195-A204 PolarHBondContact N-O 3.41Å; T195-A204 PolarHBondContact O-N 2.98Å; A204-L212 HydrophobicContact CB-CD1 4.25Å; A204-I214 HydrophobicContact CB-CG1 4.41Å; A204-L238 HydrophobicContact CB-CD2 4.32Å; A204-F240 HydrophobicContact CB-CE2 3.67Å; A204-F240 HydrophobicContact CB-CZ 3.77Å; A204-L267 HydrophobicContact CB-CD1 4.08Å; A204-L267 HydrophobicContact CB-CD2 4.44Å |
| 205 | S | 88.9 | Confident | 85.5 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 140 | -175.2 | 61.2 | 0 | 0 | 0 | 0 | 111.1 | H187 E193 L212 V213 W215 | H187-S205 PolarHBondContact NE2-OG 3.3Å; E193-S205 WeakPolarHBondContact O-CA 3.41Å; S205-L212 WeakPolarHBondContact O-CA 3.29Å; S205-V213 PolarHBondContact N-O 3.48Å; S205-V213 PolarHBondContact O-N 2.98Å; S205-V213 PolarHBondContact OG-O 3.11Å; S205-W215 PolarHBondContact OG-NE1 2.9Å |
| 206 | I | 87.9 | Confident | 85.1 | Confident | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.01 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 138.9 | -179.1 | -69.2 | -179.7 | 0 | 0 | 0 | 111.6 | I192 E193 C211 L212 L235 L238 V269 | I192-I206 HydrophobicContact CD1-CG2 3.79Å; I192-I206 HydrophobicContact CG1-CB 4.28Å; I192-I206 HydrophobicContact CG1-CG2 3.89Å; I192-I206 WeakPolarHBondContact CG1-O 3.43Å; I192-I206 PolarHBondContact N-O 2.99Å; E193-I206 PolarHBondContact O-N 2.86Å; I206-C211 WeakPolarHBondContact CA-O 3.45Å; I206-L212 HydrophobicContact CD1-CD1 4.16Å; I206-L212 HydrophobicContact CG1-CB 4.12Å; I206-L212 HydrophobicContact CG1-CD1 3.74Å; I206-L235 HydrophobicContact CD1-CD1 4.11Å; I206-L235 HydrophobicContact CG2-CB 4.42Å; I206-L235 HydrophobicContact CG2-CD1 3.85Å; I206-L238 HydrophobicContact CB-CD2 4.43Å; I206-L238 HydrophobicContact CD1-CB 4.43Å; I206-L238 HydrophobicContact CD1-CD1 3.59Å; I206-L238 HydrophobicContact CD1-CD2 3.84Å; I206-L238 HydrophobicContact CD1-CG 4.14Å; I206-L238 HydrophobicContact CG1-CD1 4.39Å; I206-L238 HydrophobicContact CG1-CD2 3.83Å; I206-V269 HydrophobicContact CD1-CG1 3.72Å; I206-V269 HydrophobicContact CD1-CG2 4.47Å |
| 207 | D | 85.2 | Confident | 84.6 | Confident | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 163 | 171.6 | 85 | 1.6 | 0 | 0 | 0 | 114 | H187 V188 A189 E190 N209 C210 C211 | H187-D207 HydrophobicContact CB-CB 4.4Å; V188-D207 PolarHBondContact N-OD2 3.47Å; A189-D207 HydrophobicContact CB-CB 3.78Å; A189-D207 WeakPolarHBondContact CB-OD2 3.33Å; A189-D207 PolarHBondContact N-OD2 2.97Å; E190-D207 CarbonylContact O-C 3.58Å; E190-D207 WeakPolarHBondContact O-CA 3.41Å; D207-N209 PolarHBondContact O-N 2.97Å; D207-N209 VanDerWaalsContact O-N 3.11Å; D207-N209 VanDerWaalsContact OD1-C 3.29Å; D207-N209 VanDerWaalsContact OD1-CA 3.26Å; D207-N209 WeakPolarHBondContact OD1-CA 3.47Å; D207-N209 VanDerWaalsContact OD1-CB 3.26Å; D207-N209 WeakPolarHBondContact OD1-CB 3.36Å; D207-N209 PolarHBondContact OD1-N 3Å; D207-C210 WeakPolarHBondContact O-CA 3.07Å; D207-C210 PolarHBondContact O-N 3.24Å; D207-C210 PolarHBondContact OD1-N 2.83Å; D207-C211 PolarHBondContact N-O 2.77Å; D207-C211 VanDerWaalsContact N-O 3.08Å; D207-C211 VanDerWaalsContact OD1-CB 3.27Å; D207-C211 WeakPolarHBondContact OD1-CB 3.37Å; D207-C211 PolarHBondContact OD1-N 2.97Å; D207-C211 PolarHBondContact OD1-SG 2.72Å; D207-C211 PolarHBondContact OD2-SG 3.18Å |
| 208 | S | 80.1 | Confident | 84.1 | Confident | 41 Ų | 41 | 29.8 Ų | 29.8 | 29% | 0.287 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -7.4 | 177.4 | 69.5 | 0 | 0 | 0 | 0 | 114.6 | A189 E190 C210 | A189-S208 VanDerWaalsContact CB-OG 3.27Å; A189-S208 WeakPolarHBondContact CB-OG 3.33Å; E190-S208 PolarHBondContact O-N 3.26Å; E190-S208 WeakPolarHBondContact OE2-CB 3.41Å; E190-S208 PolarHBondContact OE2-OG 2.96Å; S208-C210 VanDerWaalsContact C-N 3.32Å |
| 209 | N | 74.1 | Confident | 83.5 | Confident | 73 Ų | 73 | 28.7 Ų | 28.7 | 39% | 0.39 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 8.1 | 167.8 | -79.8 | -56.4 | 0 | 0 | 0 | 113 | V188 A189 D207 C211 | V188-N209 PolarHBondContact O-ND2 3.48Å; A189-N209 HydrophobicContact CB-CB 4.09Å; A189-N209 WeakPolarHBondContact CB-ND2 3.43Å; D207-N209 PolarHBondContact O-N 2.97Å; D207-N209 VanDerWaalsContact O-N 3.11Å; D207-N209 VanDerWaalsContact OD1-C 3.29Å; D207-N209 VanDerWaalsContact OD1-CA 3.26Å; D207-N209 WeakPolarHBondContact OD1-CA 3.47Å; D207-N209 VanDerWaalsContact OD1-CB 3.26Å; D207-N209 WeakPolarHBondContact OD1-CB 3.36Å; D207-N209 PolarHBondContact OD1-N 3Å; N209-C211 VanDerWaalsContact C-N 3.33Å |
| 210 | C | 77.2 | Confident | 83 | Confident | 7 Ų | 7 | 26.3 Ų | 26.3 | 5% | 0.047 | 14% | 0.144 | C | C | . | . | trans | 63.2 | 30.8 | -174.4 | -53.4 | 0 | 0 | 0 | 0 | 114 | D207 S208 G228 L235 | D207-C210 WeakPolarHBondContact O-CA 3.07Å; D207-C210 PolarHBondContact O-N 3.24Å; D207-C210 PolarHBondContact OD1-N 2.83Å; S208-C210 VanDerWaalsContact C-N 3.32Å; C210-G228 WeakPolarHBondContact O-CA 3.29Å; C210-G228 PolarHBondContact O-N 3.4Å; C210-L235 HydrophobicContact CB-CD1 3.84Å; C210-L235 HydrophobicContact CB-CG 4.29Å | ||
| 211 | C | 80.8 | Confident | 82.2 | Confident | 18 Ų | 18 | 30.9 Ų | 30.9 | 12% | 0.122 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 118.5 | 172.2 | -45.6 | 0 | 0 | 0 | 0 | 109.6 | I206 D207 N209 V226 | I206-C211 WeakPolarHBondContact CA-O 3.45Å; D207-C211 PolarHBondContact N-O 2.77Å; D207-C211 VanDerWaalsContact N-O 3.08Å; D207-C211 VanDerWaalsContact OD1-CB 3.27Å; D207-C211 WeakPolarHBondContact OD1-CB 3.37Å; D207-C211 PolarHBondContact OD1-N 2.97Å; D207-C211 PolarHBondContact OD1-SG 2.72Å; D207-C211 PolarHBondContact OD2-SG 3.18Å; N209-C211 VanDerWaalsContact C-N 3.33Å; C211-V226 CarbonylContact C-O 3.33Å; C211-V226 WeakPolarHBondContact CA-O 3.2Å |
| 212 | L | 86.4 | Confident | 81.8 | Confident | 8 Ų | 8 | 31.6 Ų | 31.6 | 4% | 0.042 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 126.3 | 172 | 169.1 | 64.2 | 0 | 0 | 0 | 109 | A204 S205 I206 I214 A225 V226 L267 I279 | A204-L212 HydrophobicContact CB-CD1 4.25Å; S205-L212 WeakPolarHBondContact O-CA 3.29Å; I206-L212 HydrophobicContact CD1-CD1 4.16Å; I206-L212 HydrophobicContact CG1-CB 4.12Å; I206-L212 HydrophobicContact CG1-CD1 3.74Å; L212-I214 HydrophobicContact CD1-CG1 4.47Å; L212-A225 CarbonylContact O-C 3.21Å; L212-A225 WeakPolarHBondContact O-CA 3.45Å; L212-V226 PolarHBondContact N-O 3.32Å; L212-V226 PolarHBondContact O-N 2.76Å; L212-L267 HydrophobicContact CD1-CD2 3.91Å; L212-L267 HydrophobicContact CD2-CD2 3.6Å; L212-L267 HydrophobicContact CG-CD2 4.41Å; L212-I279 HydrophobicContact CD2-CD1 4.12Å |
| 213 | V | 86.3 | Confident | 81.2 | Confident | 12 Ų | 12 | 33.9 Ų | 33.9 | 7% | 0.073 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 128.9 | 172.6 | -175.9 | 0 | 0 | 0 | 0 | 109.8 | H187 S205 W215 P222 V224 A225 | H187-V213 VanDerWaalsContact CE1-CG2 3.47Å; H187-V213 WeakPolarHBondContact CE1-CG2 3.04Å; S205-V213 PolarHBondContact N-O 3.48Å; S205-V213 PolarHBondContact O-N 2.98Å; S205-V213 PolarHBondContact OG-O 3.11Å; V213-W215 HydrophobicContact CB-CZ2 4.23Å; V213-W215 HydrophobicContact CG1-CD2 4.02Å; V213-W215 HydrophobicContact CG1-CG 4.45Å; V213-W215 HydrophobicContact CG1-CH2 4.3Å; V213-W215 HydrophobicContact CG1-CZ2 3.67Å; V213-P222 HydrophobicContact CG1-CB 3.69Å; V213-V224 WeakPolarHBondContact CA-O 3.23Å; V213-A225 HydrophobicContact CG2-CB 4.04Å |
| 214 | I | 90.3 | Very high | 80.8 | Confident | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 122.9 | 174.6 | -55.9 | 176.7 | 0 | 0 | 0 | 108.2 | L202 L203 A204 L212 P222 V223 V224 V310 L312 | L202-I214 HydrophobicContact CB-CG2 4.09Å; L202-I214 HydrophobicContact CD1-CG2 4.23Å; L202-I214 HydrophobicContact CD2-CG2 4.18Å; L202-I214 HydrophobicContact CG-CG2 4.41Å; L203-I214 CarbonylContact O-C 3.6Å; L203-I214 WeakPolarHBondContact O-CA 3.34Å; A204-I214 HydrophobicContact CB-CG1 4.41Å; L212-I214 HydrophobicContact CD1-CG1 4.47Å; I214-P222 CarbonylContact O-C 3.25Å; I214-V223 PolarHBondContact O-N 3Å; I214-V224 HydrophobicContact CB-CB 4.32Å; I214-V224 HydrophobicContact CD1-CB 4.5Å; I214-V224 PolarHBondContact N-O 2.76Å; I214-V224 PolarHBondContact O-N 3.28Å; I214-V310 HydrophobicContact CD1-CG1 4.27Å; I214-L312 HydrophobicContact CD1-CD2 4.04Å |
| 215 | W | 85.9 | Confident | 80.2 | Confident | 7 Ų | 7 | 37.8 Ų | 37.8 | 3% | 0.027 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 144.9 | -177.9 | -46 | 80.9 | 0 | 0 | 0 | 110.9 | I165 L184 L202 L203 S205 V213 Q221 P222 | I165-W215 HydrophobicContact CD1-CZ2 4.24Å; L184-W215 HydrophobicContact CB-CE3 4.26Å; L184-W215 HydrophobicContact CB-CH2 4.15Å; L184-W215 HydrophobicContact CB-CZ2 4.45Å; L184-W215 HydrophobicContact CB-CZ3 4.03Å; L184-W215 HydrophobicContact CD1-CD2 3.96Å; L184-W215 HydrophobicContact CD1-CE3 4.11Å; L184-W215 HydrophobicContact CD1-CG 4.14Å; L202-W215 VanDerWaalsContact CA-O 3.3Å; L202-W215 WeakPolarHBondContact CA-O 3.44Å; L203-W215 HydrophobicContact CB-CB 4.41Å; L203-W215 PolarHBondContact N-O 2.89Å; L203-W215 PolarHBondContact O-N 2.87Å; S205-W215 PolarHBondContact OG-NE1 2.9Å; V213-W215 HydrophobicContact CB-CZ2 4.23Å; V213-W215 HydrophobicContact CG1-CD2 4.02Å; V213-W215 HydrophobicContact CG1-CG 4.45Å; V213-W215 HydrophobicContact CG1-CH2 4.3Å; V213-W215 HydrophobicContact CG1-CZ2 3.67Å; W215-Q221 CarbonylContact C-O 3.49Å; W215-Q221 WeakPolarHBondContact CA-O 3.39Å; W215-P222 HydrophobicContact CD2-CB 4.36Å; W215-P222 HydrophobicContact CE3-CB 3.88Å; W215-P222 HydrophobicContact CE3-CG 4.3Å; W215-P222 HydrophobicContact CZ3-CB 3.97Å; W215-P222 HydrophobicContact CZ3-CG 4.06Å |
| 216 | C | 82.8 | Confident | 79.6 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.007 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 119.7 | 167.1 | 177.5 | 0 | 0 | 0 | 0 | 109.6 | K218 T219 G220 Q221 V223 C308 | C216-K218 PolarHBondContact O-N 3.08Å; C216-T219 PolarHBondContact O-N 3.12Å; C216-G220 WeakPolarHBondContact O-CA 3.36Å; C216-G220 PolarHBondContact O-N 3.25Å; C216-Q221 PolarHBondContact N-O 3.19Å; C216-V223 HydrophobicContact CB-CG2 3.7Å; C216-C308 HydrophobicContact CB-CB 4.28Å |
| 217 | L | 81 | Confident | 78.9 | Confident | 44 Ų | 44 | 45.9 Ų | 45.9 | 23% | 0.23 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -19.8 | -178.7 | -74.3 | 179 | 0 | 0 | 0 | 113.8 | F157 I196 H201 L203 | F157-L217 HydrophobicContact CD1-CD2 4.46Å; F157-L217 HydrophobicContact CE1-CD2 3.47Å; F157-L217 VanDerWaalsContact CE1-CD2 3.47Å; F157-L217 HydrophobicContact CE2-CD2 4.29Å; F157-L217 HydrophobicContact CZ-CD2 3.38Å; I196-L217 HydrophobicContact CG2-CD1 3.95Å; H201-L217 PolarHBondContact O-N 3.06Å; L203-L217 HydrophobicContact CB-CD2 3.73Å; L203-L217 HydrophobicContact CB-CG 4.16Å; L203-L217 HydrophobicContact CD2-CD2 4.47Å |
| 218 | K | 74.8 | Confident | 77.9 | Confident | 162 Ų | 162 | 46.5 Ų | 46.5 | 70% | 0.704 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -38.4 | 176.4 | -165.8 | -165.6 | -179.3 | -172 | 0 | 112.8 | C216 C307 | C216-K218 PolarHBondContact O-N 3.08Å; K218-C307 HydrophobicContact CD-CB 4.21Å; K218-C307 WeakPolarHBondContact CD-SG 3.23Å |
| 219 | T | 67.6 | Low | 76.9 | Confident | 63 Ų | 63 | 46.3 Ų | 46.3 | 39% | 0.387 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | -17.2 | -174.9 | 64.6 | 0 | 0 | 0 | 0 | 113.8 | C216 Q221 C307 | C216-T219 PolarHBondContact O-N 3.12Å; T219-Q221 PolarHBondContact O-N 2.78Å; T219-Q221 PolarHBondContact OG1-N 3.1Å; T219-C307 HydrophobicContact CG2-CB 3.92Å |
| 220 | G | 67.6 | Low | 76 | Confident | 25 Ų | 25 | 53.3 Ų | 53.3 | 26% | 0.258 | 28% | 0.278 | S | S | . | . | trans | 71.4 | 4.6 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | C216 | C216-G220 WeakPolarHBondContact O-CA 3.36Å; C216-G220 PolarHBondContact O-N 3.25Å | ||
| 221 | Q | 70.9 | Confident | 74.9 | Confident | 123 Ų | 123 | 59.5 Ų | 59.5 | 58% | 0.575 | 31% | 0.311 | S | S | * | . | trans | -88 | 146.4 | -177.9 | -66.4 | 172 | -25.6 | 0 | 0 | 111.7 | W215 C216 T219 V223 | W215-Q221 CarbonylContact C-O 3.49Å; W215-Q221 WeakPolarHBondContact CA-O 3.39Å; C216-Q221 PolarHBondContact N-O 3.19Å; T219-Q221 PolarHBondContact O-N 2.78Å; T219-Q221 PolarHBondContact OG1-N 3.1Å; Q221-V223 PolarHBondContact O-N 3.04Å | ||
| 222 | P | 76 | Confident | 73.7 | Confident | 75 Ų | 75 | 60.3 Ų | 60.3 | 49% | 0.487 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 125.1 | 169.5 | 30.7 | -32.1 | 0 | 0 | 0 | 109.6 | V213 I214 W215 | V213-P222 HydrophobicContact CG1-CB 3.69Å; I214-P222 CarbonylContact O-C 3.25Å; W215-P222 HydrophobicContact CD2-CB 4.36Å; W215-P222 HydrophobicContact CE3-CB 3.88Å; W215-P222 HydrophobicContact CE3-CG 4.3Å; W215-P222 HydrophobicContact CZ3-CB 3.97Å; W215-P222 HydrophobicContact CZ3-CG 4.06Å |
| 223 | V | 77.8 | Confident | 72.2 | Confident | 48 Ų | 48 | 70 Ų | 70 | 29% | 0.291 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | -38.2 | 176.5 | -175.8 | 0 | 0 | 0 | 0 | 110.4 | I214 C216 Q221 C308 V310 | I214-V223 PolarHBondContact O-N 3Å; C216-V223 HydrophobicContact CB-CG2 3.7Å; Q221-V223 PolarHBondContact O-N 3.04Å; V223-C308 VanDerWaalsContact CG1-O 3.27Å; V223-C308 WeakPolarHBondContact CG1-O 3.45Å; V223-V310 HydrophobicContact CG1-CB 4.05Å; V223-V310 HydrophobicContact CG1-CG2 4.1Å |
| 224 | V | 82.2 | Confident | 71 | Confident | 27 Ų | 27 | 72.6 Ų | 72.6 | 16% | 0.164 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 138 | 179.4 | -177.6 | 0 | 0 | 0 | 0 | 109.5 | V213 I214 V226 V310 L312 | V213-V224 WeakPolarHBondContact CA-O 3.23Å; I214-V224 HydrophobicContact CB-CB 4.32Å; I214-V224 HydrophobicContact CD1-CB 4.5Å; I214-V224 PolarHBondContact N-O 2.76Å; I214-V224 PolarHBondContact O-N 3.28Å; V224-V226 HydrophobicContact CG1-CG2 3.66Å; V224-V310 HydrophobicContact CG2-CB 3.86Å; V224-V310 HydrophobicContact CG2-CG1 4.12Å; V224-V310 VanDerWaalsContact CG2-O 3.28Å; V224-V310 WeakPolarHBondContact CG2-O 3.25Å; V224-L312 HydrophobicContact CG1-CD1 3.88Å; V224-L312 HydrophobicContact CG1-CG 4.25Å |
| 225 | A | 79.6 | Confident | 69.7 | Low | 54 Ų | 54 | 73.4 Ų | 73.4 | 45% | 0.446 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 119.4 | 170 | 0 | 0 | 0 | 0 | 0 | 109.8 | L212 V213 | L212-A225 CarbonylContact O-C 3.21Å; L212-A225 WeakPolarHBondContact O-CA 3.45Å; V213-A225 HydrophobicContact CG2-CB 4.04Å |
| 226 | V | 77.6 | Confident | 68.9 | Low | 37 Ų | 37 | 73.9 Ų | 73.9 | 22% | 0.224 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 141.2 | -178.7 | -156.7 | 0 | 0 | 0 | 0 | 110 | C211 L212 V224 L312 F928 | C211-V226 CarbonylContact C-O 3.33Å; C211-V226 WeakPolarHBondContact CA-O 3.2Å; L212-V226 PolarHBondContact N-O 3.32Å; L212-V226 PolarHBondContact O-N 2.76Å; V224-V226 HydrophobicContact CG1-CG2 3.66Å; V226-L312 HydrophobicContact CG2-CD1 3.57Å; V226-F928 HydrophobicContact CB-CE2 4.14Å; V226-F928 HydrophobicContact CG1-CD2 4.25Å; V226-F928 HydrophobicContact CG1-CE2 3.49Å; V226-F928 VanDerWaalsContact CG1-CE2 3.49Å; V226-F928 HydrophobicContact CG1-CZ 4.03Å |
| 227 | R | 73.1 | Confident | 68.5 | Low | 135 Ų | 135 | 73.9 Ų | 73.9 | 51% | 0.509 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 122.9 | -179.7 | -169.5 | 171.2 | -164.9 | 156.3 | 11.7 | 112.5 | F928 | R227-F928 WeakPolarHBondContact O-CD2 3.39Å |
| 228 | G | 63.8 | Low | 68.8 | Low | 14 Ų | 14 | 72.1 Ų | 72.1 | 14% | 0.144 | 37% | 0.365 | C | S | . | . | trans | -56.1 | 151.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | C210 | C210-G228 WeakPolarHBondContact O-CA 3.29Å; C210-G228 PolarHBondContact O-N 3.4Å | ||
| 229 | S | 60.1 | Low | 69.3 | Low | 37 Ų | 37 | 65.1 Ų | 65.1 | 26% | 0.259 | 34% | 0.337 | S | S | . | . | trans | -60.9 | 136.6 | 171.4 | 177.8 | 0 | 0 | 0 | 0 | 110.9 | N231 N232 F928 | S229-N231 PolarHBondContact O-N 3.21Å; S229-N232 PolarHBondContact O-N 3.31Å; S229-F928 WeakPolarHBondContact CB-O 3.4Å | ||
| 230 | R | 53.6 | Low | 70.1 | Confident | 220 Ų | 220 | 62.8 Ų | 62.8 | 83% | 0.83 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -9.9 | -178.1 | -60.6 | -177 | -177.5 | -170.8 | 1.3 | 114.4 | ||
| 231 | N | 53.8 | Low | 70.6 | Confident | 138 Ų | 138 | 62.1 Ų | 62.1 | 74% | 0.738 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -28.2 | 176.9 | -68 | -20.4 | 0 | 0 | 0 | 112.7 | S229 R233 | S229-N231 PolarHBondContact O-N 3.21Å; N231-R233 PolarHBondContact O-N 2.9Å |
| 232 | N | 55.7 | Low | 70.4 | Confident | 35 Ų | 35 | 60.3 Ų | 60.3 | 19% | 0.187 | 31% | 0.306 | C | S | . | . | trans | -72.1 | 117.4 | 165.1 | -74.7 | -6.5 | 0 | 0 | 0 | 107.3 | S229 | S229-N232 PolarHBondContact O-N 3.31Š| ||
| 233 | R | 55.8 | Low | 69.6 | Low | 211 Ų | 211 | 58.2 Ų | 58.2 | 80% | 0.796 | 29% | 0.292 | S | S | * | . | trans | -94.5 | -28.5 | -171.8 | -65.6 | -170.1 | 176.9 | -172.1 | 0.8 | 114.3 | N231 | N231-R233 PolarHBondContact O-N 2.9Š| ||
| 234 | V | 61.6 | Low | 68.2 | Low | 67 Ų | 67 | 60.9 Ų | 60.9 | 41% | 0.406 | 31% | 0.31 | S | S | . | . | trans | -153.8 | 142.2 | 179 | -178.8 | 0 | 0 | 0 | 0 | 107.1 | F272 | V234-F272 HydrophobicContact CB-CB 4.27Å; V234-F272 HydrophobicContact CB-CD2 3.71Å; V234-F272 HydrophobicContact CB-CE2 4.38Å; V234-F272 HydrophobicContact CB-CG 4.15Å; V234-F272 HydrophobicContact CG1-CD2 3.71Å; V234-F272 HydrophobicContact CG1-CE2 4.02Å; V234-F272 PolarHBondContact O-N 3.09Å | ||
| 235 | L | 62.4 | Low | 66.6 | Low | 19 Ų | 19 | 68.6 Ų | 68.6 | 10% | 0.099 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 154.8 | 167.9 | -59.8 | 173.6 | 0 | 0 | 0 | 108.7 | I192 I206 C210 V269 S270 | I192-L235 HydrophobicContact CD1-CB 4.13Å; I192-L235 VanDerWaalsContact CD1-O 3.31Å; I192-L235 WeakPolarHBondContact CD1-O 3.26Å; I206-L235 HydrophobicContact CD1-CD1 4.11Å; I206-L235 HydrophobicContact CG2-CB 4.42Å; I206-L235 HydrophobicContact CG2-CD1 3.85Å; C210-L235 HydrophobicContact CB-CD1 3.84Å; C210-L235 HydrophobicContact CB-CG 4.29Å; L235-V269 HydrophobicContact CB-CG1 4.41Å; L235-V269 HydrophobicContact CD1-CG1 3.91Å; L235-V269 HydrophobicContact CD2-CG1 4.14Å; L235-V269 HydrophobicContact CG-CG1 4.36Å; L235-S270 WeakPolarHBondContact CA-O 3.39Å |
| 236 | S | 68.4 | Low | 64.7 | Low | 16 Ų | 16 | 72.4 Ų | 72.4 | 11% | 0.112 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 22.7 | -157.9 | 50.5 | 0 | 0 | 0 | 0 | 114.5 | S270 I333 A334 C335 | S236-S270 PolarHBondContact N-O 3.01Å; S236-S270 PolarHBondContact O-OG 3.04Å; S236-S270 PolarHBondContact OG-O 3.17Å; S236-S270 PolarHBondContact OG-OG 2.34Å; S236-I333 PolarHBondContact OG-O 2.73Å; S236-A334 CarbonylContact O-C 3.54Å; S236-C335 WeakPolarHBondContact O-CA 3.43Å |
| 237 | G | 75 | Confident | 62.6 | Low | 1 Ų | 1 | 77 Ų | 77 | 1% | 0.01 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 163.6 | 129.4 | -173 | 0 | 0 | 0 | 0 | 0 | 111.4 | E193 V269 S270 | E193-G237 WeakPolarHBondContact OE1-CA 3.4Å; E193-G237 WeakPolarHBondContact OE2-CA 3.31Å; E193-G237 PolarHBondContact OE2-N 3.18Å; G237-V269 CarbonylContact O-C 3.51Å; G237-V269 WeakPolarHBondContact O-CA 3.36Å; G237-S270 WeakPolarHBondContact CA-OG 3.46Å; G237-S270 PolarHBondContact N-OG 2.71Å; G237-S270 VanDerWaalsContact N-OG 3.15Å; G237-S270 PolarHBondContact O-N 3.37Å |
| 238 | L | 87 | Confident | 60.5 | Low | 8 Ų | 8 | 76.7 Ų | 76.7 | 4% | 0.042 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 116.9 | -173.9 | -179.2 | 64.2 | 0 | 0 | 0 | 110.7 | E193 T195 A204 I206 L267 I268 V269 | E193-L238 HydrophobicContact CB-CB 4.27Å; E193-L238 HydrophobicContact CB-CD2 4.44Å; E193-L238 VanDerWaalsContact CD-CB 3.41Å; E193-L238 HydrophobicContact CG-CB 3.86Å; E193-L238 PolarHBondContact OE1-N 2.84Å; E193-L238 WeakPolarHBondContact OE2-CB 3.39Å; E193-L238 PolarHBondContact OE2-N 3.27Å; E193-L238 VanDerWaalsContact OE2-N 3.08Å; T195-L238 HydrophobicContact CG2-CD2 3.93Å; T195-L238 HydrophobicContact CG2-CG 3.67Å; A204-L238 HydrophobicContact CB-CD2 4.32Å; I206-L238 HydrophobicContact CB-CD2 4.43Å; I206-L238 HydrophobicContact CD1-CB 4.43Å; I206-L238 HydrophobicContact CD1-CD1 3.59Å; I206-L238 HydrophobicContact CD1-CD2 3.84Å; I206-L238 HydrophobicContact CD1-CG 4.14Å; I206-L238 HydrophobicContact CG1-CD1 4.39Å; I206-L238 HydrophobicContact CG1-CD2 3.83Å; L238-L267 HydrophobicContact CD1-CD1 3.73Å; L238-L267 HydrophobicContact CD1-CD2 4.02Å; L238-L267 HydrophobicContact CD1-CG 3.84Å; L238-L267 HydrophobicContact CG-CD1 4.39Å; L238-I268 WeakPolarHBondContact CA-O 3.46Å; L238-V269 HydrophobicContact CD1-CG2 3.85Å |
| 239 | A | 85 | Confident | 58.9 | Low | 14 Ų | 14 | 81.5 Ų | 81.5 | 12% | 0.116 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 136.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L267 I268 V338 | A239-L267 WeakPolarHBondContact O-CA 3.31Å; A239-I268 PolarHBondContact N-O 3.26Å; A239-I268 PolarHBondContact O-N 2.9Å; A239-V338 HydrophobicContact CB-CG2 3.72Å |
| 240 | F | 85.2 | Confident | 57.5 | Low | 14 Ų | 14 | 85.7 Ų | 85.7 | 6% | 0.061 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 137.2 | 161.5 | -80.1 | -70.6 | 0 | 0 | 0 | 110.4 | T195 I196 L202 A204 L267 Y281 | T195-F240 HydrophobicContact CG2-CD2 3.64Å; T195-F240 HydrophobicContact CG2-CE2 3.97Å; T195-F240 HydrophobicContact CG2-CG 4.47Å; T195-F240 WeakPolarHBondContact O-CE2 3.21Å; I196-F240 VanDerWaalsContact C-CD2 3.46Å; L202-F240 HydrophobicContact CB-CZ 4.43Å; A204-F240 HydrophobicContact CB-CE2 3.67Å; A204-F240 HydrophobicContact CB-CZ 3.77Å; F240-L267 HydrophobicContact CD1-CD1 3.81Å; F240-L267 HydrophobicContact CD2-CD1 4.26Å; F240-L267 HydrophobicContact CE1-CD1 3.9Å; F240-L267 HydrophobicContact CE2-CD1 4.34Å; F240-L267 HydrophobicContact CG-CD1 4.01Å; F240-L267 HydrophobicContact CZ-CD1 4.17Å; F240-Y281 AromaticContact CD1-CE1 3.63Å; F240-Y281 HydrophobicContact CD1-CE1 3.63Å; F240-Y281 AromaticContact CD1-CZ 3.82Å; F240-Y281 WeakPolarHBondContact CD1-OH 3.42Å; F240-Y281 HydrophobicContact CE1-CD1 4.44Å; F240-Y281 AromaticContact CE1-CE1 3.64Å; F240-Y281 HydrophobicContact CE1-CE1 3.64Å; F240-Y281 AromaticContact CE1-CZ 3.7Å |
| 241 | L | 77 | Confident | 56.3 | Low | 11 Ų | 11 | 80.7 Ų | 80.7 | 6% | 0.058 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 125.8 | 175.9 | -177.8 | 144.7 | 0 | 0 | 0 | 109.3 | V243 M266 I268 V338 V345 F359 | L241-V243 PolarHBondContact O-N 3.2Å; L241-M266 PolarHBondContact N-O 2.95Å; L241-M266 PolarHBondContact O-N 2.97Å; L241-I268 HydrophobicContact CB-CD1 4.26Å; L241-I268 HydrophobicContact CD1-CD1 3.71Å; L241-V338 HydrophobicContact CD1-CG1 4.04Å; L241-V345 HydrophobicContact CD1-CG2 4.25Å; L241-F359 HydrophobicContact CD1-CD1 4.45Å |
| 242 | N | 66.8 | Low | 55.2 | Low | 85 Ų | 85 | 80.4 Ų | 80.4 | 46% | 0.455 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 125.6 | 172.8 | -90.4 | -5.8 | 0 | 0 | 0 | 109.7 | I198 | I198-N242 HydrophobicContact CD1-CB 4.14Å; I198-N242 VanDerWaalsContact CD1-CG 3.46Å; I198-N242 WeakPolarHBondContact CD1-OD1 3.5Å |
| 243 | V | 59.1 | Low | 54 | Low | 32 Ų | 32 | 85.7 Ų | 85.7 | 19% | 0.194 | 45% | 0.454 | C | S | . | . | P | Polyproline II helix | trans | -73.6 | 130.7 | 162.6 | -178.7 | 0 | 0 | 0 | 0 | 107.3 | L241 K245 P263 M266 | L241-V243 PolarHBondContact O-N 3.2Å; V243-K245 PolarHBondContact O-N 3.33Å; V243-K245 VanDerWaalsContact O-N 3.1Å; V243-P263 HydrophobicContact CG2-CB 4.5Å; V243-P263 HydrophobicContact CG2-CG 4.23Å; V243-M266 HydrophobicContact CG2-CE 3.78Å; V243-M266 HydrophobicContact CG2-CG 3.52Å; V243-M266 HydrophobicContact CG2-SD 4.46Å |
| 244 | P | 49.9 | Very low | 52.8 | Low | 103 Ų | 103 | 80.4 Ų | 80.4 | 67% | 0.669 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -57 | 118.3 | 169.4 | -23.2 | 33.8 | 0 | 0 | 0 | 109.2 | I246 | P244-I246 PolarHBondContact O-N 3.06Š|
| 245 | K | 47.6 | Very low | 51.3 | Low | 189 Ų | 189 | 83 Ų | 83 | 82% | 0.822 | 47% | 0.47 | S | S | * | . | trans | -63.2 | 105.8 | 174.1 | -76.5 | -169.9 | 176.1 | -173.8 | 0 | 108.1 | V243 V247 | V243-K245 PolarHBondContact O-N 3.33Å; V243-K245 VanDerWaalsContact O-N 3.1Å; K245-V247 PolarHBondContact O-N 2.67Å | ||
| 246 | I | 40.9 | Very low | 49.7 | Very low | 135 Ų | 135 | 88.5 Ų | 88.5 | 69% | 0.692 | 50% | 0.5 | S | S | * | . | trans | -64.4 | 101.5 | 171.1 | -58.4 | 175.7 | 0 | 0 | 0 | 106.5 | P244 R248 | P244-I246 PolarHBondContact O-N 3.06Å; I246-R248 PolarHBondContact O-N 3.3Å | ||
| 247 | V | 32.1 | Very low | 47.8 | Very low | 134 Ų | 134 | 93.4 Ų | 93.4 | 81% | 0.812 | 54% | 0.535 | S | S | * | . | trans | -69.4 | 97.6 | -176.2 | -178.4 | 0 | 0 | 0 | 0 | 108.5 | K245 | K245-V247 PolarHBondContact O-N 2.67Š| ||
| 248 | R | 29.2 | Very low | 45.8 | Very low | 128 Ų | 128 | 99.7 Ų | 99.7 | 48% | 0.483 | 57% | 0.568 | S | S | . | * | trans | -74.2 | 138.6 | 167.4 | -69.3 | 178.7 | 170 | 179.3 | -5.2 | 108.8 | I246 V250 H262 | I246-R248 PolarHBondContact O-N 3.3Å; R248-V250 PolarHBondContact O-N 3.34Å; R248-H262 PolarHBondContact NH2-NE2 2.91Å | ||
| 249 | P | 30 | Very low | 43.5 | Very low | 114 Ų | 114 | 105.8 Ų | 105.8 | 74% | 0.74 | 60% | 0.601 | S | S | * | * | trans | -60.2 | 130.3 | 169.2 | 26.5 | -33.3 | 0 | 0 | 0 | 109.1 | N251 | P249-N251 PolarHBondContact O-N 3.19Å; P249-N251 VanDerWaalsContact O-N 3.09Å | ||
| 250 | V | 31.8 | Very low | 41.6 | Very low | 126 Ų | 126 | 109.2 Ų | 109.2 | 76% | 0.764 | 62% | 0.62 | S | S | * | * | trans | -78.5 | 96.1 | -176.7 | -179.8 | 0 | 0 | 0 | 0 | 108.8 | R248 T252 | R248-V250 PolarHBondContact O-N 3.34Å; V250-T252 HydrophobicContact CG1-CG2 4.13Å; V250-T252 PolarHBondContact O-N 3.43Å | ||
| 251 | N | 28.1 | Very low | 40 | Very low | 114 Ų | 114 | 114 Ų | 114 | 61% | 0.61 | 65% | 0.646 | S | S | * | * | trans | -69.9 | 108.3 | 166 | -79.3 | 1.1 | 0 | 0 | 0 | 108.6 | P249 D253 | P249-N251 PolarHBondContact O-N 3.19Å; P249-N251 VanDerWaalsContact O-N 3.09Å; N251-D253 PolarHBondContact O-N 2.82Å | ||
| 252 | T | 30.4 | Very low | 38.9 | Very low | 133 Ų | 133 | 117.8 Ų | 117.8 | 82% | 0.816 | 66% | 0.663 | S | S | * | * | trans | -79.2 | 58.1 | 179.1 | 53.4 | 0 | 0 | 0 | 0 | 111.9 | V250 | V250-T252 HydrophobicContact CG1-CG2 4.13Å; V250-T252 PolarHBondContact O-N 3.43Å | ||
| 253 | D | 30.3 | Very low | 38.5 | Very low | 146 Ų | 146 | 115.2 Ų | 115.2 | 78% | 0.781 | 65% | 0.651 | S | S | * | * | trans | -111.1 | 127 | 173.5 | -87.3 | -47.2 | 0 | 0 | 0 | 111.3 | N251 | N251-D253 PolarHBondContact O-N 2.82Š| ||
| 254 | S | 29.9 | Very low | 38.8 | Very low | 99 Ų | 99 | 116.2 Ų | 116.2 | 69% | 0.692 | 66% | 0.66 | S | S | * | * | trans | -42.9 | 131.5 | -168.8 | 56.3 | 0 | 0 | 0 | 0 | 118.3 | N256 | S254-N256 PolarHBondContact O-N 3.48Š| ||
| 255 | S | 30.4 | Very low | 40.1 | Very low | 122 Ų | 122 | 111.3 Ų | 111.3 | 85% | 0.853 | 63% | 0.628 | S | S | * | * | trans | 51 | 52.2 | 138.3 | 70.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 256 | N | 28.8 | Very low | 41.8 | Very low | 134 Ų | 134 | 102.6 Ų | 102.6 | 72% | 0.717 | 59% | 0.59 | S | S | * | * | trans | -131.3 | 87.9 | 161.7 | -161.8 | -11.5 | 0 | 0 | 0 | 110.4 | S254 N258 | S254-N256 PolarHBondContact O-N 3.48Å; N256-N258 PolarHBondContact O-N 3.22Å; N256-N258 PolarHBondContact OD1-ND2 2.93Å | ||
| 257 | S | 29.7 | Very low | 43.9 | Very low | 120 Ų | 120 | 96.2 Ų | 96.2 | 84% | 0.839 | 56% | 0.557 | S | S | * | * | trans | -76.1 | 59.6 | -170.9 | 59 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 258 | N | 33.1 | Very low | 46.4 | Very low | 132 Ų | 132 | 89.9 Ų | 89.9 | 71% | 0.706 | 52% | 0.519 | S | S | * | . | trans | -111 | 43.2 | 164.9 | -72.1 | -78.5 | 0 | 0 | 0 | 109.3 | N256 V260 | N256-N258 PolarHBondContact O-N 3.22Å; N256-N258 PolarHBondContact OD1-ND2 2.93Å; N258-V260 PolarHBondContact O-N 3.41Å | ||
| 259 | D | 37.9 | Very low | 49 | Very low | 137 Ų | 137 | 84.2 Ų | 84.2 | 73% | 0.733 | 50% | 0.498 | S | S | * | . | trans | -62.6 | 126.5 | 177.4 | -152.1 | -8.8 | 0 | 0 | 0 | 108.5 | N261 | D259-N261 PolarHBondContact O-N 2.87Š| ||
| 260 | V | 45.7 | Very low | 51.4 | Low | 86 Ų | 86 | 78.8 Ų | 78.8 | 52% | 0.521 | 46% | 0.463 | S | S | . | . | trans | -67.4 | 123.1 | -162.9 | 177.8 | 0 | 0 | 0 | 0 | 109 | N258 H262 | N258-V260 PolarHBondContact O-N 3.41Å; V260-H262 PolarHBondContact O-CD2 3.33Å; V260-H262 PolarHBondContact O-N 3.21Å | ||
| 261 | N | 50.2 | Low | 53.3 | Low | 114 Ų | 114 | 72.8 Ų | 72.8 | 61% | 0.61 | 43% | 0.427 | S | S | * | . | trans | -54.7 | 71 | -175.9 | -83 | -22.6 | 0 | 0 | 0 | 114.5 | D259 I282 | D259-N261 PolarHBondContact O-N 2.87Å; N261-I282 HydrophobicContact CB-CD1 3.76Å | ||
| 262 | H | 54.9 | Low | 55 | Low | 91 Ų | 91 | 72.8 Ų | 72.8 | 42% | 0.421 | 42% | 0.421 | S | S | . | . | trans | -77.5 | 132.9 | 173.6 | -79.2 | -71.6 | 0 | 0 | 0 | 109.8 | R248 V260 S264 | R248-H262 PolarHBondContact NH2-NE2 2.91Å; V260-H262 PolarHBondContact O-CD2 3.33Å; V260-H262 PolarHBondContact O-N 3.21Å; H262-S264 PolarHBondContact O-N 2.98Å | ||
| 263 | P | 57.5 | Low | 56.7 | Low | 30 Ų | 30 | 68 Ų | 68 | 20% | 0.195 | 40% | 0.398 | C | S | . | . | trans | -60.7 | 129.1 | 175.7 | 24.2 | -32.1 | 0 | 0 | 0 | 110.6 | V243 G265 M266 P280 Y281 L313 | V243-P263 HydrophobicContact CG2-CB 4.5Å; V243-P263 HydrophobicContact CG2-CG 4.23Å; P263-G265 PolarHBondContact O-N 2.82Å; P263-M266 HydrophobicContact CG-CE 3.94Å; P263-P280 HydrophobicContact CB-CB 3.83Å; P263-P280 HydrophobicContact CG-CB 4.27Å; P263-Y281 CarbonylContact C-O 3.59Å; P263-Y281 VanDerWaalsContact CA-O 3.3Å; P263-Y281 WeakPolarHBondContact CA-O 3.49Å; P263-L313 HydrophobicContact CB-CD1 4.26Å | ||
| 264 | S | 66.6 | Low | 58.4 | Low | 54 Ų | 54 | 61 Ų | 61 | 38% | 0.378 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -67.5 | -23.9 | 172.8 | -46.9 | 0 | 0 | 0 | 0 | 112.1 | H262 Y281 I282 H283 | H262-S264 PolarHBondContact O-N 2.98Å; S264-Y281 PolarHBondContact N-O 3.01Å; S264-I282 WeakPolarHBondContact OG-CA 3.18Å; S264-H283 PolarHBondContact OG-N 2.96Å |
| 265 | G | 77.6 | Confident | 60.6 | Low | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.5 | -177 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | P263 Y281 | P263-G265 PolarHBondContact O-N 2.82Å; G265-Y281 PolarHBondContact N-O 3.04Å; G265-Y281 VanDerWaalsContact O-CD1 3.31Å; G265-Y281 WeakPolarHBondContact O-CD1 3.47Å; G265-Y281 PolarHBondContact O-N 3.47Å |
| 266 | M | 82.7 | Confident | 62.9 | Low | 5 Ų | 5 | 52.7 Ų | 52.7 | 3% | 0.025 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 157.9 | 168.7 | -52.1 | -146.8 | 179.6 | 0 | 0 | 111.1 | L241 V243 P263 I278 I279 P280 P362 | L241-M266 PolarHBondContact N-O 2.95Å; L241-M266 PolarHBondContact O-N 2.97Å; V243-M266 HydrophobicContact CG2-CE 3.78Å; V243-M266 HydrophobicContact CG2-CG 3.52Å; V243-M266 HydrophobicContact CG2-SD 4.46Å; P263-M266 HydrophobicContact CG-CE 3.94Å; M266-I278 HydrophobicContact CB-CG2 4.31Å; M266-I278 HydrophobicContact SD-CG2 3.53Å; M266-I278 VanDerWaalsContact SD-CG2 3.53Å; M266-I279 CarbonylContact C-O 3.59Å; M266-I279 WeakPolarHBondContact CA-O 3.46Å; M266-P280 HydrophobicContact CE-CB 3.88Å; M266-P280 HydrophobicContact CE-CG 4.01Å; M266-P280 HydrophobicContact CG-CB 4.17Å; M266-P280 HydrophobicContact SD-CB 3.9Å; M266-P280 HydrophobicContact SD-CG 3.81Å; M266-P362 HydrophobicContact CE-CB 3.47Å; M266-P362 VanDerWaalsContact CE-CB 3.47Å; M266-P362 HydrophobicContact CE-CG 3.58Å; M266-P362 HydrophobicContact SD-CB 3.76Å |
| 267 | L | 85.7 | Confident | 65.4 | Low | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 118.1 | 173.6 | -174.8 | 74.8 | 0 | 0 | 0 | 107.9 | T195 A204 L212 L238 A239 F240 V269 I279 | T195-L267 HydrophobicContact CG2-CD1 4.13Å; A204-L267 HydrophobicContact CB-CD1 4.08Å; A204-L267 HydrophobicContact CB-CD2 4.44Å; L212-L267 HydrophobicContact CD1-CD2 3.91Å; L212-L267 HydrophobicContact CD2-CD2 3.6Å; L212-L267 HydrophobicContact CG-CD2 4.41Å; L238-L267 HydrophobicContact CD1-CD1 3.73Å; L238-L267 HydrophobicContact CD1-CD2 4.02Å; L238-L267 HydrophobicContact CD1-CG 3.84Å; L238-L267 HydrophobicContact CG-CD1 4.39Å; A239-L267 WeakPolarHBondContact O-CA 3.31Å; F240-L267 HydrophobicContact CD1-CD1 3.81Å; F240-L267 HydrophobicContact CD2-CD1 4.26Å; F240-L267 HydrophobicContact CE1-CD1 3.9Å; F240-L267 HydrophobicContact CE2-CD1 4.34Å; F240-L267 HydrophobicContact CG-CD1 4.01Å; F240-L267 HydrophobicContact CZ-CD1 4.17Å; L267-V269 HydrophobicContact CG-CG2 4.44Å; L267-I279 HydrophobicContact CB-CB 4.4Å; L267-I279 PolarHBondContact N-O 3.46Å; L267-I279 PolarHBondContact O-N 3.48Å |
| 268 | I | 85 | Confident | 68 | Low | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 131.4 | 177 | -62.4 | 168 | 0 | 0 | 0 | 108.7 | L238 A239 L241 L276 I278 I336 V345 F359 | L238-I268 WeakPolarHBondContact CA-O 3.46Å; A239-I268 PolarHBondContact N-O 3.26Å; A239-I268 PolarHBondContact O-N 2.9Å; L241-I268 HydrophobicContact CB-CD1 4.26Å; L241-I268 HydrophobicContact CD1-CD1 3.71Å; I268-L276 HydrophobicContact CG2-CD2 4.09Å; I268-I278 HydrophobicContact CG1-CG1 4.35Å; I268-I336 HydrophobicContact CG2-CD1 3.72Å; I268-V345 HydrophobicContact CD1-CG2 4.29Å; I268-F359 HydrophobicContact CD1-CE1 3.87Å; I268-F359 HydrophobicContact CD1-CZ 3.96Å |
| 269 | V | 82.9 | Confident | 70.4 | Confident | 9 Ų | 9 | 35.1 Ų | 35.1 | 6% | 0.055 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 120.8 | 178.5 | -164.5 | 0 | 0 | 0 | 0 | 109.4 | I206 L235 G237 L238 L267 H277 I279 | I206-V269 HydrophobicContact CD1-CG1 3.72Å; I206-V269 HydrophobicContact CD1-CG2 4.47Å; L235-V269 HydrophobicContact CB-CG1 4.41Å; L235-V269 HydrophobicContact CD1-CG1 3.91Å; L235-V269 HydrophobicContact CD2-CG1 4.14Å; L235-V269 HydrophobicContact CG-CG1 4.36Å; G237-V269 CarbonylContact O-C 3.51Å; G237-V269 WeakPolarHBondContact O-CA 3.36Å; L238-V269 HydrophobicContact CD1-CG2 3.85Å; L267-V269 HydrophobicContact CG-CG2 4.44Å; V269-H277 HydrophobicContact CB-CB 4.43Å; V269-H277 PolarHBondContact N-O 2.91Å; V269-H277 PolarHBondContact O-CD2 3.41Å; V269-H277 PolarHBondContact O-N 2.98Å; V269-I279 HydrophobicContact CG2-CD1 3.98Å |
| 270 | S | 79.5 | Confident | 72.6 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 147.2 | 176.3 | 86.4 | 0 | 0 | 0 | 0 | 111.7 | L235 S236 G237 | L235-S270 WeakPolarHBondContact CA-O 3.39Å; S236-S270 PolarHBondContact N-O 3.01Å; S236-S270 PolarHBondContact O-OG 3.04Å; S236-S270 PolarHBondContact OG-O 3.17Å; S236-S270 PolarHBondContact OG-OG 2.34Å; G237-S270 WeakPolarHBondContact CA-OG 3.46Å; G237-S270 PolarHBondContact N-OG 2.71Å; G237-S270 VanDerWaalsContact N-OG 3.15Å; G237-S270 PolarHBondContact O-N 3.37Å |
| 271 | S | 72.5 | Confident | 74.4 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 150.6 | -178.5 | 69.3 | 0 | 0 | 0 | 0 | 113.4 | G273 G274 Y275 H277 | S271-G273 PolarHBondContact O-N 2.91Å; S271-G274 PolarHBondContact O-N 3.14Å; S271-G274 VanDerWaalsContact O-N 3.11Å; S271-Y275 PolarHBondContact N-O 3.41Å; S271-Y275 PolarHBondContact OG-O 3.45Å; S271-Y275 VanDerWaalsContact OG-O 3.12Å; S271-H277 WeakPolarHBondContact CB-NE2 3.47Å; S271-H277 PolarHBondContact OG-NE2 3.18Å |
| 272 | F | 64.2 | Low | 76 | Confident | 114 Ų | 114 | 20.8 Ų | 20.8 | 50% | 0.5 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -6 | -175.5 | -116.9 | -95.9 | 0 | 0 | 0 | 115.8 | V234 S332 | V234-F272 HydrophobicContact CB-CB 4.27Å; V234-F272 HydrophobicContact CB-CD2 3.71Å; V234-F272 HydrophobicContact CB-CE2 4.38Å; V234-F272 HydrophobicContact CB-CG 4.15Å; V234-F272 HydrophobicContact CG1-CD2 3.71Å; V234-F272 HydrophobicContact CG1-CE2 4.02Å; V234-F272 PolarHBondContact O-N 3.09Å; F272-S332 VanDerWaalsContact CA-OG 3.27Å; F272-S332 WeakPolarHBondContact CA-OG 3.38Å; F272-S332 WeakPolarHBondContact CD1-OG 3.36Å; F272-S332 WeakPolarHBondContact CE1-OG 3.44Å; F272-S332 VanDerWaalsContact CG-OG 3.22Å; F272-S332 WeakPolarHBondContact CG-OG 3.49Å; F272-S332 PolarHBondContact O-OG 2.89Å |
| 273 | G | 65.3 | Low | 77.3 | Confident | 32 Ų | 32 | 17.3 Ų | 17.3 | 33% | 0.33 | 10% | 0.097 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 4.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | S271 Y275 W330 | S271-G273 PolarHBondContact O-N 2.91Å; G273-Y275 VanDerWaalsContact O-CD2 3.27Å; G273-Y275 WeakPolarHBondContact O-CD2 3.22Å; G273-Y275 WeakPolarHBondContact O-CE2 3.46Å; G273-W330 WeakPolarHBondContact O-CB 3.48Å; G273-W330 VanDerWaalsContact O-CD1 3.24Å |
| 274 | G | 66.9 | Low | 78.1 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78 | 34.9 | -174 | 0 | 0 | 0 | 0 | 0 | 113.2 | S271 T320 P331 | S271-G274 PolarHBondContact O-N 3.14Å; S271-G274 VanDerWaalsContact O-N 3.11Å; G274-T320 PolarHBondContact O-N 3.3Å; G274-T320 PolarHBondContact O-OG1 2.93Å; G274-T320 VanDerWaalsContact O-OG1 3.07Å; G274-P331 WeakPolarHBondContact CA-O 3.29Å |
| 275 | Y | 74.8 | Confident | 78.3 | Confident | 46 Ų | 46 | 18.4 Ų | 18.4 | 18% | 0.18 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 138 | 177.9 | -56.3 | -90 | 0 | 0 | 0 | 111.6 | S271 G273 R317 F318 T319 W330 | S271-Y275 PolarHBondContact N-O 3.41Å; S271-Y275 PolarHBondContact OG-O 3.45Å; S271-Y275 VanDerWaalsContact OG-O 3.12Å; G273-Y275 VanDerWaalsContact O-CD2 3.27Å; G273-Y275 WeakPolarHBondContact O-CD2 3.22Å; G273-Y275 WeakPolarHBondContact O-CE2 3.46Å; Y275-R317 HydrophobicContact CD1-CG 3.86Å; Y275-R317 VanDerWaalsContact CD2-NH2 3.33Å; Y275-R317 HydrophobicContact CG-CG 4.35Å; Y275-F318 CarbonylContact C-O 3.55Å; Y275-F318 VanDerWaalsContact CA-O 3.27Å; Y275-F318 WeakPolarHBondContact CA-O 3.18Å; Y275-T319 HydrophobicContact CD1-CG2 3.67Å; Y275-T319 HydrophobicContact CE1-CG2 3.37Å; Y275-W330 AromaticContact CZ-NE1 3.98Å; Y275-W330 PolarHBondContact OH-NE1 3.02Å |
| 276 | L | 80.2 | Confident | 77.6 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 127.4 | 161.8 | -66.6 | 174 | 0 | 0 | 0 | 108.5 | I268 F318 T320 I333 I336 Y357 | I268-L276 HydrophobicContact CG2-CD2 4.09Å; L276-F318 HydrophobicContact CB-CB 4.47Å; L276-F318 HydrophobicContact CD1-CD1 4.33Å; L276-F318 PolarHBondContact N-O 3.47Å; L276-F318 PolarHBondContact O-N 3.28Å; L276-T320 HydrophobicContact CD1-CG2 3.81Å; L276-T320 HydrophobicContact CG-CG2 3.73Å; L276-I333 HydrophobicContact CD2-CD1 3.64Å; L276-I333 HydrophobicContact CG-CD1 3.9Å; L276-I336 HydrophobicContact CD2-CD1 3.48Å; L276-I336 VanDerWaalsContact CD2-CD1 3.48Å; L276-Y357 HydrophobicContact CD1-CD2 4.31Å; L276-Y357 HydrophobicContact CD1-CE2 4.35Å |
| 277 | H | 80.8 | Confident | 76.1 | Confident | 14 Ų | 14 | 28.4 Ų | 28.4 | 7% | 0.065 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 116.8 | 174.5 | -52.1 | -93 | 0 | 0 | 0 | 107.4 | V269 S271 T315 I316 | V269-H277 HydrophobicContact CB-CB 4.43Å; V269-H277 PolarHBondContact N-O 2.91Å; V269-H277 PolarHBondContact O-CD2 3.41Å; V269-H277 PolarHBondContact O-N 2.98Å; S271-H277 WeakPolarHBondContact CB-NE2 3.47Å; S271-H277 PolarHBondContact OG-NE2 3.18Å; H277-T315 HydrophobicContact CB-CG2 3.94Å; H277-I316 CarbonylContact C-O 3.55Å; H277-I316 WeakPolarHBondContact CA-O 3.4Å |
| 278 | I | 83.9 | Confident | 74.1 | Confident | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 117.1 | -177.7 | -56.6 | 161.7 | 0 | 0 | 0 | 106.5 | M266 I268 P280 I316 F359 P365 | M266-I278 HydrophobicContact CB-CG2 4.31Å; M266-I278 HydrophobicContact SD-CG2 3.53Å; M266-I278 VanDerWaalsContact SD-CG2 3.53Å; I268-I278 HydrophobicContact CG1-CG1 4.35Å; I278-P280 WeakPolarHBondContact O-CD 3.37Å; I278-I316 HydrophobicContact CB-CB 4.31Å; I278-I316 PolarHBondContact N-O 3.29Å; I278-I316 PolarHBondContact O-N 2.88Å; I278-F359 HydrophobicContact CD1-CE1 3.77Å; I278-F359 HydrophobicContact CD1-CZ 4.29Å; I278-F359 HydrophobicContact CG1-CE1 4.31Å; I278-P365 HydrophobicContact CD1-CG 4.18Å |
| 279 | I | 84.5 | Confident | 71.9 | Confident | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.015 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 99.2 | -177.4 | -50.1 | 176.7 | 0 | 0 | 0 | 107.9 | L212 M266 L267 V269 L312 T315 F928 | L212-I279 HydrophobicContact CD2-CD1 4.12Å; M266-I279 CarbonylContact C-O 3.59Å; M266-I279 WeakPolarHBondContact CA-O 3.46Å; L267-I279 HydrophobicContact CB-CB 4.4Å; L267-I279 PolarHBondContact N-O 3.46Å; L267-I279 PolarHBondContact O-N 3.48Å; V269-I279 HydrophobicContact CG2-CD1 3.98Å; I279-L312 HydrophobicContact CG2-CB 4.29Å; I279-L312 HydrophobicContact CG2-CD1 4.32Å; I279-L312 HydrophobicContact CG2-CD2 4.07Å; I279-L312 HydrophobicContact CG2-CG 4.46Å; I279-T315 HydrophobicContact CG1-CG2 3.85Å; I279-F928 HydrophobicContact CD1-CE1 4.19Å; I279-F928 HydrophobicContact CD1-CZ 4.32Å |
| 280 | P | 83.4 | Confident | 69.6 | Low | 8 Ų | 8 | 50.2 Ų | 50.2 | 5% | 0.052 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 145.3 | 171.6 | -8.8 | 24.3 | 0 | 0 | 0 | 109.9 | P263 M266 I278 L313 P314 I316 | P263-P280 HydrophobicContact CB-CB 3.83Å; P263-P280 HydrophobicContact CG-CB 4.27Å; M266-P280 HydrophobicContact CE-CB 3.88Å; M266-P280 HydrophobicContact CE-CG 4.01Å; M266-P280 HydrophobicContact CG-CB 4.17Å; M266-P280 HydrophobicContact SD-CB 3.9Å; M266-P280 HydrophobicContact SD-CG 3.81Å; I278-P280 WeakPolarHBondContact O-CD 3.37Å; P280-L313 HydrophobicContact CB-CB 4.08Å; P280-L313 HydrophobicContact CB-CD1 4.19Å; P280-L313 HydrophobicContact CG-CB 4.41Å; P280-L313 WeakPolarHBondContact O-CB 3.36Å; P280-L313 PolarHBondContact O-N 3.21Å; P280-P314 WeakPolarHBondContact CD-O 3.19Å; P280-I316 HydrophobicContact CG-CD1 4.03Å |
| 281 | Y | 83.9 | Confident | 67.3 | Low | 7 Ų | 7 | 58.2 Ų | 58.2 | 3% | 0.027 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 151.9 | 177.4 | 70.9 | -88.3 | 0 | 0 | 0 | 112.3 | L202 F240 P263 S264 G265 H283 V310 Q311 | L202-Y281 HydrophobicContact CD1-CE2 4.4Å; F240-Y281 AromaticContact CD1-CE1 3.63Å; F240-Y281 HydrophobicContact CD1-CE1 3.63Å; F240-Y281 AromaticContact CD1-CZ 3.82Å; F240-Y281 WeakPolarHBondContact CD1-OH 3.42Å; F240-Y281 HydrophobicContact CE1-CD1 4.44Å; F240-Y281 AromaticContact CE1-CE1 3.64Å; F240-Y281 HydrophobicContact CE1-CE1 3.64Å; F240-Y281 AromaticContact CE1-CZ 3.7Å; P263-Y281 CarbonylContact C-O 3.59Å; P263-Y281 VanDerWaalsContact CA-O 3.3Å; P263-Y281 WeakPolarHBondContact CA-O 3.49Å; S264-Y281 PolarHBondContact N-O 3.01Å; G265-Y281 PolarHBondContact N-O 3.04Å; G265-Y281 VanDerWaalsContact O-CD1 3.31Å; G265-Y281 WeakPolarHBondContact O-CD1 3.47Å; G265-Y281 PolarHBondContact O-N 3.47Å; Y281-H283 HydrophobicContact CD2-CB 4.02Å; Y281-H283 HydrophobicContact CE2-CB 3.85Å; Y281-V310 HydrophobicContact CD2-CG1 4.24Å; Y281-Q311 CarbonylContact C-O 3.58Å; Y281-Q311 VanDerWaalsContact CA-O 3.31Å; Y281-Q311 WeakPolarHBondContact CA-O 3.49Å |
| 282 | I | 82.7 | Confident | 65.3 | Low | 20 Ų | 20 | 65 Ų | 65 | 10% | 0.103 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 133.5 | 169 | -57.3 | 174.4 | 0 | 0 | 0 | 107.2 | N261 S264 V310 Q311 L313 | N261-I282 HydrophobicContact CB-CD1 3.76Å; S264-I282 WeakPolarHBondContact OG-CA 3.18Å; I282-V310 CarbonylContact O-C 3.55Å; I282-V310 WeakPolarHBondContact O-CA 3.44Å; I282-Q311 HydrophobicContact CB-CB 4.42Å; I282-Q311 PolarHBondContact N-O 3.25Å; I282-Q311 PolarHBondContact O-N 3.32Å; I282-L313 HydrophobicContact CD1-CD1 4.3Å; I282-L313 HydrophobicContact CD1-CD2 4.13Å; I282-L313 HydrophobicContact CG1-CD1 4.21Å; I282-L313 HydrophobicContact CG1-CD2 4.47Å; I282-L313 HydrophobicContact CG1-CG 4.47Å |
| 283 | H | 82.4 | Confident | 63.6 | Low | 19 Ų | 19 | 68.9 Ų | 68.9 | 9% | 0.088 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 115.5 | 179.3 | 173.4 | -140.9 | 0 | 0 | 0 | 109.7 | D199 L202 S264 Y281 V285 C308 V310 | D199-H283 IonicContact OD2-CE1 3.5Å; D199-H283 PolarHBondContact OD2-CE1 3.3Å; D199-H283 VanDerWaalsContact OD2-CE1 3.24Å; D199-H283 IonicContact OD2-ND1 3.52Å; D199-H283 PolarHBondContact OD2-ND1 2.82Å; L202-H283 HydrophobicContact CD1-CB 4.33Å; S264-H283 PolarHBondContact OG-N 2.96Å; Y281-H283 HydrophobicContact CD2-CB 4.02Å; Y281-H283 HydrophobicContact CE2-CB 3.85Å; H283-V285 WeakPolarHBondContact CE1-CG2 3.29Å; H283-V285 WeakPolarHBondContact NE2-CG2 3.37Å; H283-C308 WeakPolarHBondContact NE2-CB 3.5Å; H283-C308 PolarHBondContact NE2-SG 2.7Å; H283-C308 VanDerWaalsContact NE2-SG 3.4Å; H283-V310 HydrophobicContact CB-CG2 4.42Å |
| 284 | T | 75.1 | Confident | 61.6 | Low | 65 Ų | 65 | 76.8 Ų | 76.8 | 40% | 0.399 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 113.5 | 174.5 | 55.2 | 0 | 0 | 0 | 0 | 109.8 | H286 C308 A309 | T284-H286 PolarHBondContact O-CD2 2.88Å; T284-H286 PolarHBondContact OG1-NE2 2.77Å; T284-C308 WeakPolarHBondContact O-CA 3.46Å; T284-A309 PolarHBondContact N-O 2.57Å; T284-A309 PolarHBondContact O-N 3.07Å |
| 285 | V | 69.5 | Low | 59.7 | Low | 42 Ų | 42 | 81.5 Ų | 81.5 | 26% | 0.255 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 114.7 | 169.2 | -178.9 | 0 | 0 | 0 | 0 | 107.8 | H283 H287 C307 | H283-V285 WeakPolarHBondContact CE1-CG2 3.29Å; H283-V285 WeakPolarHBondContact NE2-CG2 3.37Å; V285-H287 PolarHBondContact O-N 2.92Å; V285-C307 WeakPolarHBondContact CA-O 3.4Å |
| 286 | H | 64.4 | Low | 57.4 | Low | 82 Ų | 82 | 86.8 Ų | 86.8 | 38% | 0.38 | 44% | 0.436 | S | S | . | . | trans | -87.7 | 105.5 | 172.4 | -54 | -102.2 | 0 | 0 | 0 | 108 | T284 I306 C307 | T284-H286 PolarHBondContact O-CD2 2.88Å; T284-H286 PolarHBondContact OG1-NE2 2.77Å; H286-I306 WeakPolarHBondContact CB-O 3.28Å; H286-C307 PolarHBondContact N-O 3.04Å | ||
| 287 | H | 51.3 | Low | 54.8 | Low | 132 Ų | 132 | 93.3 Ų | 93.3 | 61% | 0.611 | 48% | 0.475 | S | S | * | . | trans | -73.8 | 124.9 | 163.2 | -61.7 | -61.6 | 0 | 0 | 0 | 107.8 | V285 H289 | V285-H287 PolarHBondContact O-N 2.92Å; H287-H289 PolarHBondContact O-CD2 2.84Å; H287-H289 VanDerWaalsContact O-CD2 3.27Å; H287-H289 PolarHBondContact O-N 3.04Å; H287-H289 VanDerWaalsContact O-N 3.1Å | ||
| 288 | A | 44 | Very low | 52.2 | Low | 82 Ų | 82 | 98.1 Ų | 98.1 | 68% | 0.678 | 51% | 0.507 | S | S | * | . | trans | -65.4 | 111.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 289 | H | 38.8 | Very low | 49.5 | Very low | 168 Ų | 168 | 104.9 Ų | 104.9 | 78% | 0.778 | 54% | 0.543 | S | S | * | . | trans | -69.6 | 159.4 | 175.8 | -80.3 | -106.9 | 0 | 0 | 0 | 110.4 | H287 | H287-H289 PolarHBondContact O-CD2 2.84Å; H287-H289 VanDerWaalsContact O-CD2 3.27Å; H287-H289 PolarHBondContact O-N 3.04Å; H287-H289 VanDerWaalsContact O-N 3.1Å | ||
| 290 | R | 33.4 | Very low | 46.8 | Very low | 220 Ų | 220 | 112.3 Ų | 112.3 | 83% | 0.83 | 58% | 0.578 | S | S | * | * | trans | -61.7 | 151.5 | -178.4 | -70.5 | 175.2 | 169.5 | 154 | -8.6 | 111.5 | D292 | R290-D292 PolarHBondContact O-N 2.08Š| ||
| 291 | E | 31.6 | Very low | 44.2 | Very low | 168 Ų | 168 | 120.7 Ų | 120.7 | 79% | 0.785 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -2.9 | -171.5 | -58.7 | -177.8 | 127 | 0 | 0 | 114.3 | ||
| 292 | D | 30.7 | Very low | 41.9 | Very low | 142 Ų | 142 | 126.6 Ų | 126.6 | 76% | 0.759 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | -7 | -160.2 | -58.3 | -63.3 | 0 | 0 | 0 | 116.4 | R290 | R290-D292 PolarHBondContact O-N 2.08Š|
| 293 | E | 27.7 | Very low | 39.7 | Very low | 195 Ų | 195 | 132.2 Ų | 132.2 | 91% | 0.911 | 67% | 0.672 | S | S | * | * | trans | -106.5 | 56.9 | -175 | -70.5 | -170 | 170.5 | 0 | 0 | 114.4 | S295 | E293-S295 PolarHBondContact O-N 2.77Š| ||
| 294 | F | 24.9 | Very low | 37.7 | Very low | 198 Ų | 198 | 139.1 Ų | 139.1 | 87% | 0.868 | 70% | 0.697 | S | S | * | * | trans | -86.6 | 92 | 170.4 | -94.4 | -86.4 | 0 | 0 | 0 | 112.7 | ||||
| 295 | S | 25.8 | Very low | 36.3 | Very low | 99 Ų | 99 | 147.1 Ų | 147.1 | 69% | 0.692 | 72% | 0.72 | S | S | * | * | trans | -154.6 | 130.1 | 153.2 | 67.4 | 0 | 0 | 0 | 0 | 115.6 | E293 | E293-S295 PolarHBondContact O-N 2.77Š| ||
| 296 | N | 26.1 | Very low | 35.5 | Very low | 158 Ų | 158 | 148.8 Ų | 148.8 | 85% | 0.845 | 73% | 0.727 | S | S | * | * | S | Bend | trans | 59.7 | 48.9 | 149.2 | -60.6 | -23.9 | 0 | 0 | 0 | 121.1 | ||
| 297 | V | 25.9 | Very low | 35.4 | Very low | 137 Ų | 137 | 145.6 Ų | 145.6 | 83% | 0.83 | 71% | 0.714 | S | S | * | * | trans | -132.8 | 107.7 | 146.8 | -174.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 298 | P | 27 | Very low | 36.4 | Very low | 114 Ų | 114 | 139.4 Ų | 139.4 | 74% | 0.74 | 69% | 0.685 | S | S | * | * | trans | -91.8 | 104.3 | 173.5 | 33 | -29.2 | 0 | 0 | 0 | 111.1 | ||||
| 299 | N | 26.4 | Very low | 38 | Very low | 143 Ų | 143 | 137 Ų | 137 | 77% | 0.765 | 67% | 0.665 | S | S | * | * | trans | -172.8 | 130.9 | 147.8 | -96.5 | -34.1 | 0 | 0 | 0 | 111.6 | ||||
| 300 | H | 27.5 | Very low | 40 | Very low | 160 Ų | 160 | 129.8 Ų | 129.8 | 74% | 0.741 | 63% | 0.633 | S | S | * | * | trans | 5.5 | 115.2 | 162.1 | -54.1 | -84.6 | 0 | 0 | 0 | 119.5 | ||||
| 301 | F | 29.5 | Very low | 42.3 | Very low | 184 Ų | 184 | 124.6 Ų | 124.6 | 81% | 0.807 | 62% | 0.618 | S | S | * | * | 178.4 | 105.1 | 124.1 | -90.6 | -61.3 | 0 | 0 | 0 | 108.8 | N303 | F301-N303 PolarHBondContact O-N 3.03Š| |||
| 302 | E | 35.7 | Very low | 44.7 | Very low | 131 Ų | 131 | 118.8 Ų | 118.8 | 61% | 0.612 | 59% | 0.592 | S | S | * | * | trans | -76.2 | 122.5 | -178.6 | -69 | -152.2 | 141.9 | 0 | 0 | 112.4 | R304 R910 | E302-R304 PolarHBondContact O-N 3.17Å; E302-R304 VanDerWaalsContact O-N 3.1Å; E302-R910 IonicContact OE1-CZ 3.43Å; E302-R910 IonicContact OE1-NE 3.85Å; E302-R910 IonicContact OE1-NH2 3.21Å; E302-R910 PolarHBondContact OE1-NH2 2.91Å; E302-R910 IonicContact OE2-CZ 2.9Å; E302-R910 IonicContact OE2-NE 3.59Å; E302-R910 PolarHBondContact OE2-NE 2.99Å; E302-R910 IonicContact OE2-NH2 3.76Å; E302-R910 PolarHBondContact OE2-NH2 3.26Å | ||
| 303 | N | 35.6 | Very low | 47.1 | Very low | 138 Ų | 138 | 113.8 Ų | 113.8 | 74% | 0.738 | 57% | 0.565 | S | S | * | * | trans | -77.3 | 96.7 | 178.9 | -85 | -59.4 | 0 | 0 | 0 | 112.2 | F301 | F301-N303 PolarHBondContact O-N 3.03Š| ||
| 304 | R | 40.4 | Very low | 49.4 | Very low | 163 Ų | 163 | 110 Ų | 110 | 62% | 0.615 | 56% | 0.557 | S | S | * | * | trans | -56 | 139.1 | 165.1 | -142.4 | 174.4 | -159.3 | 163.6 | 5.2 | 109.5 | E302 I306 E914 | E302-R304 PolarHBondContact O-N 3.17Å; E302-R304 VanDerWaalsContact O-N 3.1Å; R304-I306 HydrophobicContact CB-CD1 4.28Å; R304-I306 HydrophobicContact CB-CG1 4.37Å; R304-I306 PolarHBondContact O-N 3.4Å; R304-E914 IonicContact CZ-OE1 2.65Å; R304-E914 IonicContact NH2-OE1 3.6Å; R304-E914 PolarHBondContact NH2-OE1 2.93Å | ||
| 305 | W | 45.4 | Very low | 51.9 | Low | 233 Ų | 233 | 103 Ų | 103 | 88% | 0.883 | 53% | 0.531 | S | S | * | . | trans | -71.4 | 59.6 | -171 | -68 | 76.1 | 0 | 0 | 0 | 114.7 | ||||
| 306 | I | 53.8 | Low | 54.2 | Low | 78 Ų | 78 | 100.5 Ų | 100.5 | 40% | 0.4 | 51% | 0.51 | S | S | . | . | trans | -94.2 | 111.8 | -178.4 | -60.7 | 169.2 | 0 | 0 | 0 | 108.8 | H286 R304 C308 A309 | H286-I306 WeakPolarHBondContact CB-O 3.28Å; R304-I306 HydrophobicContact CB-CD1 4.28Å; R304-I306 HydrophobicContact CB-CG1 4.37Å; R304-I306 PolarHBondContact O-N 3.4Å; I306-C308 WeakPolarHBondContact CG2-O 3.28Å; I306-A309 HydrophobicContact CG2-CB 4.18Å | ||
| 307 | C | 63 | Low | 56.7 | Low | 15 Ų | 15 | 99.4 Ų | 99.4 | 10% | 0.101 | 49% | 0.494 | C | S | . | . | S | Bend | trans | -66.4 | -39.5 | 178.6 | 179.9 | 0 | 0 | 0 | 0 | 113.1 | K218 T219 V285 H286 | K218-C307 HydrophobicContact CD-CB 4.21Å; K218-C307 WeakPolarHBondContact CD-SG 3.23Å; T219-C307 HydrophobicContact CG2-CB 3.92Å; V285-C307 WeakPolarHBondContact CA-O 3.4Å; H286-C307 PolarHBondContact N-O 3.04Å |
| 308 | C | 72.3 | Confident | 59 | Low | 2 Ų | 2 | 95 Ų | 95 | 1% | 0.014 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 123 | -175.7 | -63.3 | 0 | 0 | 0 | 0 | 107.7 | L202 C216 V223 H283 T284 I306 | L202-C308 HydrophobicContact CD2-CB 4.06Å; C216-C308 HydrophobicContact CB-CB 4.28Å; V223-C308 VanDerWaalsContact CG1-O 3.27Å; V223-C308 WeakPolarHBondContact CG1-O 3.45Å; H283-C308 WeakPolarHBondContact NE2-CB 3.5Å; H283-C308 PolarHBondContact NE2-SG 2.7Å; H283-C308 VanDerWaalsContact NE2-SG 3.4Å; T284-C308 WeakPolarHBondContact O-CA 3.46Å; I306-C308 WeakPolarHBondContact CG2-O 3.28Å |
| 309 | A | 75.7 | Confident | 61.2 | Low | 30 Ų | 30 | 92.5 Ų | 92.5 | 25% | 0.248 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 142 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | T284 I306 | T284-A309 PolarHBondContact N-O 2.57Å; T284-A309 PolarHBondContact O-N 3.07Å; I306-A309 HydrophobicContact CG2-CB 4.18Å |
| 310 | V | 81.5 | Confident | 63.1 | Low | 18 Ų | 18 | 85.8 Ų | 85.8 | 11% | 0.109 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 119.1 | -178.4 | 176.2 | 0 | 0 | 0 | 0 | 108.7 | L202 I214 V223 V224 Y281 I282 H283 L312 | L202-V310 HydrophobicContact CD1-CG2 3.61Å; L202-V310 HydrophobicContact CD2-CG2 3.84Å; L202-V310 HydrophobicContact CG-CG2 4.39Å; I214-V310 HydrophobicContact CD1-CG1 4.27Å; V223-V310 HydrophobicContact CG1-CB 4.05Å; V223-V310 HydrophobicContact CG1-CG2 4.1Å; V224-V310 HydrophobicContact CG2-CB 3.86Å; V224-V310 HydrophobicContact CG2-CG1 4.12Å; V224-V310 VanDerWaalsContact CG2-O 3.28Å; V224-V310 WeakPolarHBondContact CG2-O 3.25Å; Y281-V310 HydrophobicContact CD2-CG1 4.24Å; I282-V310 CarbonylContact O-C 3.55Å; I282-V310 WeakPolarHBondContact O-CA 3.44Å; H283-V310 HydrophobicContact CB-CG2 4.42Å; V310-L312 HydrophobicContact CG1-CD2 4.15Å |
| 311 | Q | 81.8 | Confident | 64.8 | Low | 110 Ų | 110 | 79.1 Ų | 79.1 | 51% | 0.514 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 120.2 | 172.7 | -178.1 | 178.4 | 1.8 | 0 | 0 | 108.8 | Y281 I282 L313 | Y281-Q311 CarbonylContact C-O 3.58Å; Y281-Q311 VanDerWaalsContact CA-O 3.31Å; Y281-Q311 WeakPolarHBondContact CA-O 3.49Å; I282-Q311 HydrophobicContact CB-CB 4.42Å; I282-Q311 PolarHBondContact N-O 3.25Å; I282-Q311 PolarHBondContact O-N 3.32Å; Q311-L313 HydrophobicContact CG-CD2 4.46Å |
| 312 | L | 82.4 | Confident | 66 | Low | 46 Ų | 46 | 73.2 Ų | 73.2 | 24% | 0.241 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 139.4 | 170.3 | -57.4 | -176.4 | 0 | 0 | 0 | 109.8 | I214 V224 V226 I279 V310 | I214-L312 HydrophobicContact CD1-CD2 4.04Å; V224-L312 HydrophobicContact CG1-CD1 3.88Å; V224-L312 HydrophobicContact CG1-CG 4.25Å; V226-L312 HydrophobicContact CG2-CD1 3.57Å; I279-L312 HydrophobicContact CG2-CB 4.29Å; I279-L312 HydrophobicContact CG2-CD1 4.32Å; I279-L312 HydrophobicContact CG2-CD2 4.07Å; I279-L312 HydrophobicContact CG2-CG 4.46Å; V310-L312 HydrophobicContact CG1-CD2 4.15Å |
| 313 | L | 81.4 | Confident | 66.7 | Low | 38 Ų | 38 | 76.3 Ų | 76.3 | 20% | 0.199 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -98.4 | 169.1 | 173.6 | -55.7 | -175.7 | 0 | 0 | 0 | 109.8 | P263 P280 I282 Q311 T315 | P263-L313 HydrophobicContact CB-CD1 4.26Å; P280-L313 HydrophobicContact CB-CB 4.08Å; P280-L313 HydrophobicContact CB-CD1 4.19Å; P280-L313 HydrophobicContact CG-CB 4.41Å; P280-L313 WeakPolarHBondContact O-CB 3.36Å; P280-L313 PolarHBondContact O-N 3.21Å; I282-L313 HydrophobicContact CD1-CD1 4.3Å; I282-L313 HydrophobicContact CD1-CD2 4.13Å; I282-L313 HydrophobicContact CG1-CD1 4.21Å; I282-L313 HydrophobicContact CG1-CD2 4.47Å; I282-L313 HydrophobicContact CG1-CG 4.47Å; Q311-L313 HydrophobicContact CG-CD2 4.46Å; L313-T315 PolarHBondContact O-N 3.35Å |
| 314 | P | 76.2 | Confident | 67.3 | Low | 114 Ų | 114 | 73.9 Ų | 73.9 | 74% | 0.74 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -52.7 | 132.9 | -178.2 | -29.5 | 37.4 | 0 | 0 | 0 | 113.2 | P280 | P280-P314 WeakPolarHBondContact CD-O 3.19Š|
| 315 | T | 76.1 | Confident | 67.6 | Low | 53 Ų | 53 | 68.9 Ų | 68.9 | 33% | 0.325 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -76.3 | 125 | -178.3 | -58.5 | 0 | 0 | 0 | 0 | 111.1 | H277 I279 L313 F928 | H277-T315 HydrophobicContact CB-CG2 3.94Å; I279-T315 HydrophobicContact CG1-CG2 3.85Å; L313-T315 PolarHBondContact O-N 3.35Å; T315-F928 HydrophobicContact CG2-CD1 4.47Å; T315-F928 HydrophobicContact CG2-CE1 4.29Å |
| 316 | I | 75.7 | Confident | 67.4 | Low | 46 Ų | 46 | 62.7 Ų | 62.7 | 24% | 0.236 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 138.2 | 175.8 | -60.4 | 143.9 | 0 | 0 | 0 | 108.3 | H277 I278 P280 L363 | H277-I316 CarbonylContact C-O 3.55Å; H277-I316 WeakPolarHBondContact CA-O 3.4Å; I278-I316 HydrophobicContact CB-CB 4.31Å; I278-I316 PolarHBondContact N-O 3.29Å; I278-I316 PolarHBondContact O-N 2.88Å; P280-I316 HydrophobicContact CG-CD1 4.03Å; I316-L363 HydrophobicContact CD1-CD2 3.52Å |
| 317 | R | 76.7 | Confident | 67 | Low | 135 Ų | 135 | 65.6 Ų | 65.6 | 51% | 0.509 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 113.1 | -175.2 | -176.9 | 178.5 | 178.1 | -177.9 | 1.3 | 111.3 | Y275 | Y275-R317 HydrophobicContact CD1-CG 3.86Å; Y275-R317 VanDerWaalsContact CD2-NH2 3.33Å; Y275-R317 HydrophobicContact CG-CG 4.35Å |
| 318 | F | 74.9 | Confident | 66.3 | Low | 43 Ų | 43 | 70.6 Ų | 70.6 | 19% | 0.189 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 140.1 | -179.9 | -179.5 | -97.8 | 0 | 0 | 0 | 111.5 | Y275 L276 T320 Y357 P365 | Y275-F318 CarbonylContact C-O 3.55Å; Y275-F318 VanDerWaalsContact CA-O 3.27Å; Y275-F318 WeakPolarHBondContact CA-O 3.18Å; L276-F318 HydrophobicContact CB-CB 4.47Å; L276-F318 HydrophobicContact CD1-CD1 4.33Å; L276-F318 PolarHBondContact N-O 3.47Å; L276-F318 PolarHBondContact O-N 3.28Å; F318-T320 HydrophobicContact CD1-CG2 4.46Å; F318-Y357 AromaticContact CE1-CD1 3.92Å; F318-Y357 HydrophobicContact CE1-CD1 3.92Å; F318-Y357 AromaticContact CE1-CE1 3.64Å; F318-Y357 HydrophobicContact CE1-CE1 3.64Å; F318-Y357 HydrophobicContact CZ-CD1 4.26Å; F318-Y357 HydrophobicContact CZ-CE1 4.11Å; F318-P365 HydrophobicContact CB-CG 4.22Å; F318-P365 HydrophobicContact CD1-CG 3.96Å; F318-P365 HydrophobicContact CD2-CG 3.67Å; F318-P365 HydrophobicContact CE1-CG 4.21Å; F318-P365 HydrophobicContact CE2-CG 3.94Å; F318-P365 VanDerWaalsContact CE2-O 3.3Å; F318-P365 WeakPolarHBondContact CE2-O 3.44Å; F318-P365 HydrophobicContact CG-CG 3.67Å; F318-P365 HydrophobicContact CZ-CG 4.2Å |
| 319 | T | 72.9 | Confident | 65.4 | Low | 62 Ų | 62 | 78.7 Ų | 78.7 | 38% | 0.38 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 124.9 | 177.1 | 41.4 | 0 | 0 | 0 | 0 | 111.6 | Y275 A321 | Y275-T319 HydrophobicContact CD1-CG2 3.67Å; Y275-T319 HydrophobicContact CE1-CG2 3.37Å; T319-A321 PolarHBondContact O-N 2.92Å |
| 320 | T | 67.4 | Low | 64.7 | Low | 2 Ų | 2 | 80.5 Ų | 80.5 | 1% | 0.012 | 44% | 0.444 | C | S | . | . | trans | -84.7 | 18.8 | 175.5 | 56.6 | 0 | 0 | 0 | 0 | 113.7 | G274 L276 F318 I333 R355 Y357 | G274-T320 PolarHBondContact O-N 3.3Å; G274-T320 PolarHBondContact O-OG1 2.93Å; G274-T320 VanDerWaalsContact O-OG1 3.07Å; L276-T320 HydrophobicContact CD1-CG2 3.81Å; L276-T320 HydrophobicContact CG-CG2 3.73Å; F318-T320 HydrophobicContact CD1-CG2 4.46Å; T320-I333 HydrophobicContact CG2-CD1 3.67Å; T320-I333 HydrophobicContact CG2-CG1 4.25Å; T320-R355 WeakPolarHBondContact O-CD 3.18Å; T320-R355 PolarHBondContact O-NE 3.18Å; T320-Y357 WeakPolarHBondContact CA-OH 3.34Å; T320-Y357 WeakPolarHBondContact CB-OH 3.37Å; T320-Y357 HydrophobicContact CG2-CE2 3.97Å; T320-Y357 WeakPolarHBondContact CG2-OH 3.39Å | ||
| 321 | A | 62.2 | Low | 64 | Low | 21 Ų | 21 | 80.6 Ų | 80.6 | 17% | 0.174 | 45% | 0.445 | C | S | . | . | S | Bend | trans | -83.1 | 147.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | T319 W330 | T319-A321 PolarHBondContact O-N 2.92Å; A321-W330 HydrophobicContact CB-CD2 4.04Å; A321-W330 HydrophobicContact CB-CE3 3.26Å; A321-W330 HydrophobicContact CB-CH2 4.42Å; A321-W330 HydrophobicContact CB-CZ3 3.49Å; A321-W330 VanDerWaalsContact CB-CZ3 3.49Å |
| 322 | P | 54.6 | Low | 63.7 | Low | 59 Ų | 59 | 75.9 Ų | 75.9 | 38% | 0.383 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 135 | 165.2 | -10.4 | 25.6 | 0 | 0 | 0 | 110 | T325 | P322-T325 HydrophobicContact CB-CG2 3.96Å; P322-T325 HydrophobicContact CG-CG2 3.96Å; P322-T325 PolarHBondContact O-N 2.93Å; P322-T325 PolarHBondContact O-OG1 3.1Å |
| 323 | E | 51.6 | Low | 63.5 | Low | 197 Ų | 197 | 73.7 Ų | 73.7 | 92% | 0.921 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 147.8 | 171.5 | -62.5 | -176.9 | 145.8 | 0 | 0 | 110.7 | T325 | E323-T325 PolarHBondContact O-N 3.3Š|
| 324 | G | 47.2 | Very low | 63.4 | Low | 86 Ų | 86 | 73.4 Ų | 73.4 | 89% | 0.887 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.9 | -6.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 325 | T | 47.4 | Very low | 63.7 | Low | 58 Ų | 58 | 68.8 Ų | 68.8 | 36% | 0.356 | 39% | 0.386 | S | S | . | . | trans | -69.8 | 128 | 174.1 | 50.5 | 0 | 0 | 0 | 0 | 111.8 | P322 E323 W330 | P322-T325 HydrophobicContact CB-CG2 3.96Å; P322-T325 HydrophobicContact CG-CG2 3.96Å; P322-T325 PolarHBondContact O-N 2.93Å; P322-T325 PolarHBondContact O-OG1 3.1Å; E323-T325 PolarHBondContact O-N 3.3Å; T325-W330 WeakPolarHBondContact OG1-CZ3 3.5Å | ||
| 326 | P | 41.5 | Very low | 64.3 | Low | 104 Ų | 104 | 67.2 Ų | 67.2 | 68% | 0.675 | 38% | 0.376 | S | S | * | . | trans | -69.7 | 149.2 | -179.9 | 28 | -34.2 | 0 | 0 | 0 | 111.5 | V328 | P326-V328 PolarHBondContact O-N 3.34Š| ||
| 327 | N | 45.5 | Very low | 64.9 | Low | 139 Ų | 139 | 67.2 Ų | 67.2 | 74% | 0.743 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | 38.1 | -158.9 | -150.3 | 9.2 | 0 | 0 | 0 | 116.2 | W330 | N327-W330 VanDerWaalsContact OD1-CZ2 3.22Å; N327-W330 WeakPolarHBondContact OD1-CZ2 3.33Å |
| 328 | V | 48.3 | Very low | 65.4 | Low | 119 Ų | 119 | 62 Ų | 62 | 72% | 0.721 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.6 | -42.5 | -165.6 | -176.4 | 0 | 0 | 0 | 0 | 113.2 | P326 | P326-V328 PolarHBondContact O-N 3.34Š|
| 329 | F | 53.2 | Low | 66 | Low | 172 Ų | 172 | 60.5 Ų | 60.5 | 75% | 0.754 | 35% | 0.354 | S | S | * | . | trans | -154.2 | 114.2 | 174 | -105.9 | -82.9 | 0 | 0 | 0 | 111 | ||||
| 330 | W | 59.3 | Low | 66.2 | Low | 68 Ų | 68 | 61.4 Ų | 61.4 | 26% | 0.258 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -79.2 | 145.5 | 167.6 | -47 | 124.4 | 0 | 0 | 0 | 110.1 | G273 Y275 A321 T325 N327 S332 | G273-W330 WeakPolarHBondContact O-CB 3.48Å; G273-W330 VanDerWaalsContact O-CD1 3.24Å; Y275-W330 AromaticContact CZ-NE1 3.98Å; Y275-W330 PolarHBondContact OH-NE1 3.02Å; A321-W330 HydrophobicContact CB-CD2 4.04Å; A321-W330 HydrophobicContact CB-CE3 3.26Å; A321-W330 HydrophobicContact CB-CH2 4.42Å; A321-W330 HydrophobicContact CB-CZ3 3.49Å; A321-W330 VanDerWaalsContact CB-CZ3 3.49Å; T325-W330 WeakPolarHBondContact OG1-CZ3 3.5Å; N327-W330 VanDerWaalsContact OD1-CZ2 3.22Å; N327-W330 WeakPolarHBondContact OD1-CZ2 3.33Å; W330-S332 PolarHBondContact O-N 2.86Å |
| 331 | P | 68.3 | Low | 66.3 | Low | 21 Ų | 21 | 64.7 Ų | 64.7 | 14% | 0.136 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 124.6 | 172.9 | 28 | -32.9 | 0 | 0 | 0 | 109.7 | G274 I333 D351 | G274-P331 WeakPolarHBondContact CA-O 3.29Å; P331-I333 PolarHBondContact O-N 3.42Å; P331-D351 HydrophobicContact CB-CB 3.99Å |
| 332 | S | 74.7 | Confident | 66.9 | Low | 10 Ų | 10 | 64.4 Ų | 64.4 | 7% | 0.07 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 134.7 | 170.9 | -173.3 | 0 | 0 | 0 | 0 | 109.6 | F272 W330 S350 | F272-S332 VanDerWaalsContact CA-OG 3.27Å; F272-S332 WeakPolarHBondContact CA-OG 3.38Å; F272-S332 WeakPolarHBondContact CD1-OG 3.36Å; F272-S332 WeakPolarHBondContact CE1-OG 3.44Å; F272-S332 VanDerWaalsContact CG-OG 3.22Å; F272-S332 WeakPolarHBondContact CG-OG 3.49Å; F272-S332 PolarHBondContact O-OG 2.89Å; W330-S332 PolarHBondContact O-N 2.86Å; S332-S350 WeakPolarHBondContact CA-OG 3.43Å; S332-S350 WeakPolarHBondContact CB-OG 3.38Å; S332-S350 PolarHBondContact N-OG 3.47Å; S332-S350 WeakPolarHBondContact O-CB 3.48Å; S332-S350 PolarHBondContact O-N 3.2Å; S332-S350 PolarHBondContact O-OG 3.07Å |
| 333 | I | 79.3 | Confident | 68.1 | Low | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 144.3 | 159.6 | -52.2 | 163.4 | 0 | 0 | 0 | 106.7 | S236 L276 T320 P331 C335 A347 | S236-I333 PolarHBondContact OG-O 2.73Å; L276-I333 HydrophobicContact CD2-CD1 3.64Å; L276-I333 HydrophobicContact CG-CD1 3.9Å; T320-I333 HydrophobicContact CG2-CD1 3.67Å; T320-I333 HydrophobicContact CG2-CG1 4.25Å; P331-I333 PolarHBondContact O-N 3.42Å; I333-C335 WeakPolarHBondContact CG2-O 3.35Å; I333-A347 HydrophobicContact CG2-CB 4.2Å |
| 334 | A | 78.9 | Confident | 69.7 | Low | 32 Ų | 32 | 57.7 Ų | 57.7 | 26% | 0.264 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | -25.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S236 G348 V378 | S236-A334 CarbonylContact O-C 3.54Å; A334-G348 PolarHBondContact N-O 2.99Å; A334-V378 WeakPolarHBondContact CB-O 3.43Å |
| 335 | C | 82.1 | Confident | 71.6 | Confident | 18 Ų | 18 | 53.6 Ų | 53.6 | 12% | 0.122 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 162.6 | 173.3 | 55.5 | 0 | 0 | 0 | 0 | 110.3 | S236 I333 G348 N379 S380 | S236-C335 WeakPolarHBondContact O-CA 3.43Å; I333-C335 WeakPolarHBondContact CG2-O 3.35Å; C335-G348 PolarHBondContact O-N 3.12Å; C335-N379 WeakPolarHBondContact CB-O 3.45Å; C335-N379 VanDerWaalsContact SG-C 3.52Å; C335-N379 PolarHBondContact SG-O 3.42Å; C335-N379 VanDerWaalsContact SG-O 3.32Å; C335-S380 WeakPolarHBondContact SG-CA 3.4Å |
| 336 | I | 88.5 | Confident | 73.6 | Confident | 20 Ų | 20 | 50.9 Ų | 50.9 | 10% | 0.103 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 150 | 177.4 | -158.6 | 177.7 | 0 | 0 | 0 | 109.8 | I268 L276 V345 A346 | I268-I336 HydrophobicContact CG2-CD1 3.72Å; L276-I336 HydrophobicContact CD2-CD1 3.48Å; L276-I336 VanDerWaalsContact CD2-CD1 3.48Å; I336-V345 HydrophobicContact CD1-CG1 3.59Å; I336-V345 HydrophobicContact CG1-CG1 3.63Å; I336-A346 CarbonylContact C-O 3.51Å; I336-A346 WeakPolarHBondContact CA-O 3.27Å |
| 337 | D | 88.7 | Confident | 75.8 | Confident | 46 Ų | 46 | 45.9 Ų | 45.9 | 25% | 0.246 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 156.6 | 166.3 | -173.4 | 34.6 | 0 | 0 | 0 | 111.8 | V345 A346 A382 F383 | D337-V345 CarbonylContact O-C 3.6Å; D337-V345 WeakPolarHBondContact O-CA 3.17Å; D337-A346 PolarHBondContact N-O 3.35Å; D337-A346 PolarHBondContact O-N 2.83Å; D337-A382 WeakPolarHBondContact OD2-CA 3.38Å; D337-F383 HydrophobicContact CB-CD2 4.4Å; D337-F383 PolarHBondContact OD2-N 2.86Å |
| 338 | V | 87.4 | Confident | 77.8 | Confident | 25 Ų | 25 | 39.3 Ų | 39.3 | 15% | 0.152 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 128.6 | -172.8 | -175.6 | 0 | 0 | 0 | 0 | 109.6 | A239 L241 V345 | A239-V338 HydrophobicContact CB-CG2 3.72Å; L241-V338 HydrophobicContact CD1-CG1 4.04Å; V338-V345 HydrophobicContact CG1-CG2 4.27Å; V338-V345 HydrophobicContact CG2-CG1 4.46Å; V338-V345 HydrophobicContact CG2-CG2 4.19Å |
| 339 | S | 86.2 | Confident | 79.5 | Confident | 12 Ų | 12 | 33.6 Ų | 33.6 | 8% | 0.084 | 20% | 0.2 | C | C | . | . | trans | -61 | 150.4 | 176 | 62.8 | 0 | 0 | 0 | 0 | 111.9 | G341 G342 L344 | S339-G341 PolarHBondContact O-N 3.05Å; S339-G342 PolarHBondContact O-N 3.21Å; S339-L344 WeakPolarHBondContact CB-O 3.32Å; S339-L344 PolarHBondContact N-O 2.85Å; S339-L344 WeakPolarHBondContact OG-CA 3.42Å; S339-L344 PolarHBondContact OG-N 3.49Å; S339-L344 PolarHBondContact OG-O 2.97Å | ||
| 340 | P | 77.6 | Confident | 80.7 | Confident | 81 Ų | 81 | 28 Ų | 28 | 53% | 0.526 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -21 | -173.2 | -28.8 | 35.5 | 0 | 0 | 0 | 116.5 | S384 H385 | P340-S384 WeakPolarHBondContact CG-O 3.32Å; P340-H385 WeakPolarHBondContact CG-O 3.39Å |
| 341 | G | 70.7 | Confident | 81.7 | Confident | 71 Ų | 71 | 27.2 Ų | 27.2 | 73% | 0.732 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | 4.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | S339 L343 | S339-G341 PolarHBondContact O-N 3.05Å; G341-L343 PolarHBondContact O-N 3.36Å |
| 342 | G | 73.6 | Confident | 82.5 | Confident | 15 Ų | 15 | 30.5 Ų | 30.5 | 16% | 0.155 | 20% | 0.197 | C | C | . | . | S | Bend | trans | 72.5 | -15.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | S339 L344 | S339-G342 PolarHBondContact O-N 3.21Å; G342-L344 PolarHBondContact O-N 3.3Å |
| 343 | L | 80.7 | Confident | 83 | Confident | 76 Ų | 76 | 35.4 Ų | 35.4 | 40% | 0.398 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -64.9 | -41.2 | -172.2 | 176.8 | 60 | 0 | 0 | 0 | 114.4 | G341 Q358 F359 M360 | G341-L343 PolarHBondContact O-N 3.36Å; L343-Q358 HydrophobicContact CD1-CG 3.63Å; L343-Q358 HydrophobicContact CG-CG 4.22Å; L343-Q358 CarbonylContact O-C 3.59Å; L343-Q358 WeakPolarHBondContact O-CA 3.49Å; L343-F359 PolarHBondContact O-N 2.84Å; L343-M360 HydrophobicContact CD1-CG 4.29Å; L343-M360 HydrophobicContact CD1-SD 3.37Å; L343-M360 WeakPolarHBondContact CD1-SD 3.44Å |
| 344 | L | 85.6 | Confident | 83.5 | Confident | 39 Ų | 39 | 35.4 Ų | 35.4 | 20% | 0.204 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 141 | 179.7 | -66.8 | 174.2 | 0 | 0 | 0 | 111.6 | S339 G342 Y357 Q358 A368 F383 | S339-L344 WeakPolarHBondContact CB-O 3.32Å; S339-L344 PolarHBondContact N-O 2.85Å; S339-L344 WeakPolarHBondContact OG-CA 3.42Å; S339-L344 PolarHBondContact OG-N 3.49Å; S339-L344 PolarHBondContact OG-O 2.97Å; G342-L344 PolarHBondContact O-N 3.3Å; L344-Y357 CarbonylContact C-O 3.56Å; L344-Y357 WeakPolarHBondContact CA-O 3.22Å; L344-Q358 HydrophobicContact CD2-CB 4.09Å; L344-Q358 HydrophobicContact CD2-CG 4.25Å; L344-A368 HydrophobicContact CD2-CB 3.98Å; L344-F383 HydrophobicContact CB-CZ 4.11Å |
| 345 | V | 87.2 | Confident | 83.9 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 130.7 | 174.2 | -179.7 | 0 | 0 | 0 | 0 | 108.7 | L241 I268 I336 D337 V338 L356 Y357 F359 | L241-V345 HydrophobicContact CD1-CG2 4.25Å; I268-V345 HydrophobicContact CD1-CG2 4.29Å; I336-V345 HydrophobicContact CD1-CG1 3.59Å; I336-V345 HydrophobicContact CG1-CG1 3.63Å; D337-V345 CarbonylContact O-C 3.6Å; D337-V345 WeakPolarHBondContact O-CA 3.17Å; V338-V345 HydrophobicContact CG1-CG2 4.27Å; V338-V345 HydrophobicContact CG2-CG1 4.46Å; V338-V345 HydrophobicContact CG2-CG2 4.19Å; V345-L356 WeakPolarHBondContact O-CA 3.46Å; V345-Y357 PolarHBondContact N-O 3.11Å; V345-Y357 PolarHBondContact O-N 3.35Å; V345-F359 HydrophobicContact CB-CD2 4.05Å; V345-F359 HydrophobicContact CB-CE2 3.7Å; V345-F359 HydrophobicContact CG1-CE2 4.4Å; V345-F359 HydrophobicContact CG2-CD2 3.5Å; V345-F359 HydrophobicContact CG2-CE2 3.45Å; V345-F359 VanDerWaalsContact CG2-CE2 3.45Å; V345-F359 HydrophobicContact CG2-CG 4.26Å; V345-F359 HydrophobicContact CG2-CZ 4.16Å |
| 346 | A | 88.7 | Confident | 84.3 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 127.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | I336 D337 I354 R355 L356 V381 F383 L390 | I336-A346 CarbonylContact C-O 3.51Å; I336-A346 WeakPolarHBondContact CA-O 3.27Å; D337-A346 PolarHBondContact N-O 3.35Å; D337-A346 PolarHBondContact O-N 2.83Å; A346-I354 HydrophobicContact CB-CG2 4.27Å; A346-R355 WeakPolarHBondContact CA-O 3.37Å; A346-L356 HydrophobicContact CB-CD2 3.54Å; A346-V381 HydrophobicContact CB-CG1 3.63Å; A346-F383 HydrophobicContact CB-CD2 4.44Å; A346-F383 HydrophobicContact CB-CE2 3.52Å; A346-F383 HydrophobicContact CB-CZ 3.77Å; A346-L390 HydrophobicContact CB-CD1 4.21Å; A346-L390 HydrophobicContact CB-CD2 4.32Å |
| 347 | A | 87.1 | Confident | 84.2 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 115.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | I333 C349 I354 R355 Y357 | I333-A347 HydrophobicContact CG2-CB 4.2Å; A347-C349 PolarHBondContact O-SG 3.32Å; A347-C349 VanDerWaalsContact O-SG 3.35Å; A347-I354 WeakPolarHBondContact O-CA 3.14Å; A347-R355 PolarHBondContact N-O 3.45Å; A347-R355 PolarHBondContact O-N 3.02Å; A347-Y357 HydrophobicContact CB-CE2 4.07Å |
| 348 | G | 87.1 | Confident | 83.9 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 124.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | A334 C335 | A334-G348 PolarHBondContact N-O 2.99Å; C335-G348 PolarHBondContact O-N 3.12Å |
| 349 | C | 84.5 | Confident | 83.2 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 151.5 | -171.6 | -57.2 | 0 | 0 | 0 | 0 | 112.5 | A347 D351 Q352 R353 R355 V378 | A347-C349 PolarHBondContact O-SG 3.32Å; A347-C349 VanDerWaalsContact O-SG 3.35Å; C349-D351 WeakPolarHBondContact CB-OD1 3.49Å; C349-D351 PolarHBondContact O-N 2.97Å; C349-Q352 PolarHBondContact O-N 3.17Å; C349-R353 VanDerWaalsContact CB-O 3.28Å; C349-R353 WeakPolarHBondContact CB-O 3.48Å; C349-R353 PolarHBondContact N-O 3.24Å; C349-R355 VanDerWaalsContact CB-NH1 3.32Å; C349-R355 PolarHBondContact SG-NH1 2.99Å; C349-V378 PolarHBondContact O-N 3.07Å |
| 350 | S | 79.1 | Confident | 82.3 | Confident | 54 Ų | 54 | 38.6 Ų | 38.6 | 38% | 0.378 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -14.7 | 178.2 | 50 | 0 | 0 | 0 | 0 | 114.6 | S332 Q352 | S332-S350 WeakPolarHBondContact CA-OG 3.43Å; S332-S350 WeakPolarHBondContact CB-OG 3.38Å; S332-S350 PolarHBondContact N-OG 3.47Å; S332-S350 WeakPolarHBondContact O-CB 3.48Å; S332-S350 PolarHBondContact O-N 3.2Å; S332-S350 PolarHBondContact O-OG 3.07Å; S350-Q352 PolarHBondContact O-N 3.13Å |
| 351 | D | 79.8 | Confident | 81.6 | Confident | 52 Ų | 52 | 38.6 Ų | 38.6 | 28% | 0.278 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 33.1 | 169.9 | 71.1 | -34.7 | 0 | 0 | 0 | 112.9 | P331 C349 R353 R355 | P331-D351 HydrophobicContact CB-CB 3.99Å; C349-D351 WeakPolarHBondContact CB-OD1 3.49Å; C349-D351 PolarHBondContact O-N 2.97Å; D351-R353 WeakPolarHBondContact O-CG 3.49Å; D351-R353 PolarHBondContact O-N 2.89Å; D351-R355 IonicContact OD1-CZ 2.71Å; D351-R355 IonicContact OD1-NH1 3.94Å; D351-R355 PolarHBondContact OD1-NH1 3.18Å; D351-R355 IonicContact OD1-NH2 3.71Å; D351-R355 IonicContact OD2-CZ 3.31Å; D351-R355 IonicContact OD2-NH1 2.79Å; D351-R355 PolarHBondContact OD2-NH1 3.21Å; D351-R355 IonicContact OD2-NH2 2.89Å; D351-R355 PolarHBondContact OD2-NH2 3.13Å |
| 352 | Q | 85 | Confident | 81 | Confident | 90 Ų | 90 | 36.7 Ų | 36.7 | 42% | 0.421 | 19% | 0.187 | S | C | . | . | S | Bend | trans | 64.8 | 9.4 | 172.4 | -51.8 | 153.9 | -31.9 | 0 | 0 | 115.2 | C349 S350 H374 E375 E376 | C349-Q352 PolarHBondContact O-N 3.17Å; S350-Q352 PolarHBondContact O-N 3.13Å; Q352-H374 WeakPolarHBondContact CB-O 3.47Å; Q352-E375 PolarHBondContact NE2-O 3.44Å; Q352-E376 WeakPolarHBondContact CA-O 3.42Å |
| 353 | R | 86.2 | Confident | 80.4 | Confident | 112 Ų | 112 | 41.2 Ų | 41.2 | 42% | 0.423 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 151.4 | -173.7 | -71.4 | 169.8 | -177.7 | -105.5 | 1.6 | 112 | C349 D351 V370 L371 A372 | C349-R353 VanDerWaalsContact CB-O 3.28Å; C349-R353 WeakPolarHBondContact CB-O 3.48Å; C349-R353 PolarHBondContact N-O 3.24Å; D351-R353 WeakPolarHBondContact O-CG 3.49Å; D351-R353 PolarHBondContact O-N 2.89Å; R353-V370 HydrophobicContact CB-CG1 4.03Å; R353-V370 HydrophobicContact CG-CG1 4.2Å; R353-L371 WeakPolarHBondContact CA-O 3.34Å; R353-A372 HydrophobicContact CG-CB 4.26Å |
| 354 | I | 88.3 | Confident | 79.9 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 128.3 | 164.2 | -50 | 96.1 | 0 | 0 | 0 | 107.7 | A346 A347 L356 V370 L371 V378 V381 T392 W403 | A346-I354 HydrophobicContact CB-CG2 4.27Å; A347-I354 WeakPolarHBondContact O-CA 3.14Å; I354-L356 HydrophobicContact CG2-CD2 4.44Å; I354-V370 WeakPolarHBondContact O-CA 3.28Å; I354-L371 HydrophobicContact CB-CB 4.26Å; I354-L371 HydrophobicContact CD1-CB 4.21Å; I354-L371 PolarHBondContact N-O 3.02Å; I354-L371 PolarHBondContact O-N 3.37Å; I354-V378 HydrophobicContact CD1-CG2 4.32Å; I354-V378 HydrophobicContact CG1-CG1 4.09Å; I354-V378 HydrophobicContact CG1-CG2 4.2Å; I354-V381 HydrophobicContact CG1-CG2 4.34Å; I354-V381 HydrophobicContact CG2-CG1 4.45Å; I354-V381 HydrophobicContact CG2-CG2 4.26Å; I354-T392 HydrophobicContact CD1-CG2 3.81Å; I354-T392 HydrophobicContact CG1-CG2 3.73Å; I354-W403 HydrophobicContact CD1-CZ2 4.38Å |
| 355 | R | 88.2 | Confident | 79.3 | Confident | 16 Ų | 16 | 42 Ų | 42 | 6% | 0.06 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 134.2 | 175.3 | -65.6 | 179.8 | 171 | 67.6 | 2.8 | 109.2 | T320 A346 A347 C349 D351 Y357 V370 | T320-R355 WeakPolarHBondContact O-CD 3.18Å; T320-R355 PolarHBondContact O-NE 3.18Å; A346-R355 WeakPolarHBondContact CA-O 3.37Å; A347-R355 PolarHBondContact N-O 3.45Å; A347-R355 PolarHBondContact O-N 3.02Å; C349-R355 VanDerWaalsContact CB-NH1 3.32Å; C349-R355 PolarHBondContact SG-NH1 2.99Å; D351-R355 IonicContact OD1-CZ 2.71Å; D351-R355 IonicContact OD1-NH1 3.94Å; D351-R355 PolarHBondContact OD1-NH1 3.18Å; D351-R355 IonicContact OD1-NH2 3.71Å; D351-R355 IonicContact OD2-CZ 3.31Å; D351-R355 IonicContact OD2-NH1 2.79Å; D351-R355 PolarHBondContact OD2-NH1 3.21Å; D351-R355 IonicContact OD2-NH2 2.89Å; D351-R355 PolarHBondContact OD2-NH2 3.13Å; R355-Y357 HydrophobicContact CB-CE2 3.78Å; R355-Y357 WeakPolarHBondContact CD-OH 3.38Å; R355-V370 HydrophobicContact CG-CG1 4.37Å; R355-V370 HydrophobicContact CG-CG2 4.29Å |
| 356 | L | 90 | Very high | 78.8 | Confident | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 134.8 | 175.7 | -57.2 | -178.9 | 0 | 0 | 0 | 109 | V345 A346 I354 A368 G369 L371 F383 L390 W410 | V345-L356 WeakPolarHBondContact O-CA 3.46Å; A346-L356 HydrophobicContact CB-CD2 3.54Å; I354-L356 HydrophobicContact CG2-CD2 4.44Å; L356-A368 HydrophobicContact CB-CB 4.09Å; L356-A368 PolarHBondContact O-N 2.85Å; L356-G369 PolarHBondContact N-O 2.85Å; L356-G369 PolarHBondContact O-N 3.28Å; L356-L371 HydrophobicContact CD1-CD1 4.41Å; L356-F383 HydrophobicContact CD2-CZ 4.44Å; L356-L390 HydrophobicContact CD2-CD2 3.94Å; L356-W410 HydrophobicContact CD1-CZ2 4.26Å; L356-W410 VanDerWaalsContact CD1-NE1 3.25Å |
| 357 | Y | 85.6 | Confident | 78.5 | Confident | 9 Ų | 9 | 51.8 Ų | 51.8 | 4% | 0.035 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 140.7 | 177.4 | -59.5 | -76.1 | 0 | 0 | 0 | 110.4 | L276 F318 T320 L344 V345 A347 R355 E366 | L276-Y357 HydrophobicContact CD1-CD2 4.31Å; L276-Y357 HydrophobicContact CD1-CE2 4.35Å; F318-Y357 AromaticContact CE1-CD1 3.92Å; F318-Y357 HydrophobicContact CE1-CD1 3.92Å; F318-Y357 AromaticContact CE1-CE1 3.64Å; F318-Y357 HydrophobicContact CE1-CE1 3.64Å; F318-Y357 HydrophobicContact CZ-CD1 4.26Å; F318-Y357 HydrophobicContact CZ-CE1 4.11Å; T320-Y357 WeakPolarHBondContact CA-OH 3.34Å; T320-Y357 WeakPolarHBondContact CB-OH 3.37Å; T320-Y357 HydrophobicContact CG2-CE2 3.97Å; T320-Y357 WeakPolarHBondContact CG2-OH 3.39Å; L344-Y357 CarbonylContact C-O 3.56Å; L344-Y357 WeakPolarHBondContact CA-O 3.22Å; V345-Y357 PolarHBondContact N-O 3.11Å; V345-Y357 PolarHBondContact O-N 3.35Å; A347-Y357 HydrophobicContact CB-CE2 4.07Å; R355-Y357 HydrophobicContact CB-CE2 3.78Å; R355-Y357 WeakPolarHBondContact CD-OH 3.38Å; Y357-E366 CarbonylContact C-O 3.26Å; Y357-E366 VanDerWaalsContact CA-O 3.25Å; Y357-E366 WeakPolarHBondContact CA-O 3.42Å |
| 358 | Q | 83.6 | Confident | 78.2 | Confident | 70 Ų | 70 | 54.1 Ų | 54.1 | 33% | 0.327 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 128.3 | 175.6 | -167 | 174.2 | -28.5 | 0 | 0 | 109.9 | L343 L344 M360 P365 E366 A368 | L343-Q358 HydrophobicContact CD1-CG 3.63Å; L343-Q358 HydrophobicContact CG-CG 4.22Å; L343-Q358 CarbonylContact O-C 3.59Å; L343-Q358 WeakPolarHBondContact O-CA 3.49Å; L344-Q358 HydrophobicContact CD2-CB 4.09Å; L344-Q358 HydrophobicContact CD2-CG 4.25Å; Q358-M360 HydrophobicContact CG-CG 4.03Å; Q358-M360 VanDerWaalsContact NE2-CG 3.32Å; Q358-M360 PolarHBondContact NE2-SD 2.82Å; Q358-M360 VanDerWaalsContact NE2-SD 3.42Å; Q358-P365 WeakPolarHBondContact O-CA 3.41Å; Q358-E366 PolarHBondContact N-O 2.68Å; Q358-E366 PolarHBondContact O-N 2.69Å; Q358-A368 HydrophobicContact CB-CB 4.14Å |
| 359 | F | 73 | Confident | 78 | Confident | 19 Ų | 19 | 55.5 Ų | 55.5 | 8% | 0.083 | 29% | 0.294 | C | S | . | . | trans | -108.2 | 57.4 | -175.6 | -82.2 | -109.6 | 0 | 0 | 0 | 110.6 | L241 I268 I278 L343 V345 P365 | L241-F359 HydrophobicContact CD1-CD1 4.45Å; I268-F359 HydrophobicContact CD1-CE1 3.87Å; I268-F359 HydrophobicContact CD1-CZ 3.96Å; I278-F359 HydrophobicContact CD1-CE1 3.77Å; I278-F359 HydrophobicContact CD1-CZ 4.29Å; I278-F359 HydrophobicContact CG1-CE1 4.31Å; L343-F359 PolarHBondContact O-N 2.84Å; V345-F359 HydrophobicContact CB-CD2 4.05Å; V345-F359 HydrophobicContact CB-CE2 3.7Å; V345-F359 HydrophobicContact CG1-CE2 4.4Å; V345-F359 HydrophobicContact CG2-CD2 3.5Å; V345-F359 HydrophobicContact CG2-CE2 3.45Å; V345-F359 VanDerWaalsContact CG2-CE2 3.45Å; V345-F359 HydrophobicContact CG2-CG 4.26Å; V345-F359 HydrophobicContact CG2-CZ 4.16Å; F359-P365 HydrophobicContact CD1-CB 4.06Å; F359-P365 HydrophobicContact CD2-CB 3.79Å; F359-P365 HydrophobicContact CE1-CB 3.81Å; F359-P365 HydrophobicContact CE1-CG 4.15Å; F359-P365 HydrophobicContact CE2-CB 3.5Å; F359-P365 HydrophobicContact CE2-CG 4.31Å; F359-P365 HydrophobicContact CG-CB 4.06Å; F359-P365 HydrophobicContact CZ-CB 3.53Å; F359-P365 HydrophobicContact CZ-CG 3.89Å | ||
| 360 | M | 67 | Low | 78.1 | Confident | 103 Ų | 103 | 59.1 Ų | 59.1 | 51% | 0.507 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -66.5 | -46.3 | 170.1 | -65.1 | -60.9 | -76.4 | 0 | 0 | 110.9 | L343 Q358 A1806 | L343-M360 HydrophobicContact CD1-CG 4.29Å; L343-M360 HydrophobicContact CD1-SD 3.37Å; L343-M360 WeakPolarHBondContact CD1-SD 3.44Å; Q358-M360 HydrophobicContact CG-CG 4.03Å; Q358-M360 VanDerWaalsContact NE2-CG 3.32Å; Q358-M360 PolarHBondContact NE2-SD 2.82Å; Q358-M360 VanDerWaalsContact NE2-SD 3.42Å; M360-A1806 HydrophobicContact CE-CB 3.76Å |
| 361 | N | 63.6 | Low | 78.5 | Confident | 81 Ų | 81 | 57.4 Ų | 57.4 | 43% | 0.433 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -110.7 | 114.4 | 172.2 | -178.8 | -10.8 | 0 | 0 | 0 | 108.5 | L363 K364 | N361-L363 PolarHBondContact O-N 2.96Å; N361-L363 VanDerWaalsContact O-N 3.16Å; N361-L363 WeakPolarHBondContact OD1-CB 3.48Å; N361-L363 PolarHBondContact OD1-N 2.81Å; N361-K364 CarbonylContact O-C 3.58Å; N361-K364 VanDerWaalsContact O-C 3.24Å; N361-K364 PolarHBondContact O-N 3.37Å; N361-K364 VanDerWaalsContact O-N 3.07Å |
| 362 | P | 56.7 | Low | 78.6 | Confident | 30 Ų | 30 | 57.9 Ų | 57.9 | 20% | 0.195 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -14.1 | -176.8 | 29.3 | -36.2 | 0 | 0 | 0 | 113.7 | M266 | M266-P362 HydrophobicContact CE-CB 3.47Å; M266-P362 VanDerWaalsContact CE-CB 3.47Å; M266-P362 HydrophobicContact CE-CG 3.58Å; M266-P362 HydrophobicContact SD-CB 3.76Å |
| 363 | L | 61.5 | Low | 77.8 | Confident | 110 Ų | 110 | 54.8 Ų | 54.8 | 58% | 0.576 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -21.2 | 173.7 | -52.9 | -179.1 | 0 | 0 | 0 | 112.8 | I316 N361 | I316-L363 HydrophobicContact CD1-CD2 3.52Å; N361-L363 PolarHBondContact O-N 2.96Å; N361-L363 VanDerWaalsContact O-N 3.16Å; N361-L363 WeakPolarHBondContact OD1-CB 3.48Å; N361-L363 PolarHBondContact OD1-N 2.81Å |
| 364 | K | 70 | Confident | 77.6 | Confident | 130 Ų | 130 | 50 Ų | 50 | 57% | 0.565 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -149.2 | 87.9 | -175.6 | -172.4 | -164.8 | 174.7 | -152.8 | 0 | 110.1 | N361 E366 | N361-K364 CarbonylContact O-C 3.58Å; N361-K364 VanDerWaalsContact O-C 3.24Å; N361-K364 PolarHBondContact O-N 3.37Å; N361-K364 VanDerWaalsContact O-N 3.07Å; K364-E366 IonicContact NZ-OE1 2.78Å |
| 365 | P | 72.1 | Confident | 77.1 | Confident | 3 Ų | 3 | 57.4 Ų | 57.4 | 2% | 0.019 | 32% | 0.321 | C | S | . | . | trans | -70.5 | 146.5 | 174.1 | 30.8 | -35.2 | 0 | 0 | 0 | 111.2 | I278 F318 Q358 F359 | I278-P365 HydrophobicContact CD1-CG 4.18Å; F318-P365 HydrophobicContact CB-CG 4.22Å; F318-P365 HydrophobicContact CD1-CG 3.96Å; F318-P365 HydrophobicContact CD2-CG 3.67Å; F318-P365 HydrophobicContact CE1-CG 4.21Å; F318-P365 HydrophobicContact CE2-CG 3.94Å; F318-P365 VanDerWaalsContact CE2-O 3.3Å; F318-P365 WeakPolarHBondContact CE2-O 3.44Å; F318-P365 HydrophobicContact CG-CG 3.67Å; F318-P365 HydrophobicContact CZ-CG 4.2Å; Q358-P365 WeakPolarHBondContact O-CA 3.41Å; F359-P365 HydrophobicContact CD1-CB 4.06Å; F359-P365 HydrophobicContact CD2-CB 3.79Å; F359-P365 HydrophobicContact CE1-CB 3.81Å; F359-P365 HydrophobicContact CE1-CG 4.15Å; F359-P365 HydrophobicContact CE2-CB 3.5Å; F359-P365 HydrophobicContact CE2-CG 4.31Å; F359-P365 HydrophobicContact CG-CB 4.06Å; F359-P365 HydrophobicContact CZ-CB 3.53Å; F359-P365 HydrophobicContact CZ-CG 3.89Å | ||
| 366 | E | 77.9 | Confident | 76.8 | Confident | 97 Ų | 97 | 59.8 Ų | 59.8 | 45% | 0.453 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 145.1 | -173.4 | -59.3 | -168.6 | 142.3 | 0 | 0 | 111.3 | Y357 Q358 K364 A368 | Y357-E366 CarbonylContact C-O 3.26Å; Y357-E366 VanDerWaalsContact CA-O 3.25Å; Y357-E366 WeakPolarHBondContact CA-O 3.42Å; Q358-E366 PolarHBondContact N-O 2.68Å; Q358-E366 PolarHBondContact O-N 2.69Å; K364-E366 IonicContact NZ-OE1 2.78Å; E366-A368 PolarHBondContact O-N 3.48Å |
| 367 | P | 81.6 | Confident | 76.5 | Confident | 107 Ų | 107 | 61.5 Ų | 61.5 | 70% | 0.695 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 107.9 | -178 | 29.3 | -33.7 | 0 | 0 | 0 | 111.6 | ||
| 368 | A | 82.1 | Confident | 76.5 | Confident | 50 Ų | 50 | 61 Ų | 61 | 41% | 0.413 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | -18.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | L344 L356 Q358 E366 | L344-A368 HydrophobicContact CD2-CB 3.98Å; L356-A368 HydrophobicContact CB-CB 4.09Å; L356-A368 PolarHBondContact O-N 2.85Å; Q358-A368 HydrophobicContact CB-CB 4.14Å; E366-A368 PolarHBondContact O-N 3.48Å |
| 369 | G | 82.8 | Confident | 76.5 | Confident | 29 Ų | 29 | 60 Ų | 60 | 30% | 0.299 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 157.5 | 174.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114 | L356 | L356-G369 PolarHBondContact N-O 2.85Å; L356-G369 PolarHBondContact O-N 3.28Å |
| 370 | V | 86.3 | Confident | 77.2 | Confident | 75 Ų | 75 | 59.4 Ų | 59.4 | 46% | 0.455 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 127.6 | 178.7 | -173.8 | 0 | 0 | 0 | 0 | 109.9 | R353 I354 R355 | R353-V370 HydrophobicContact CB-CG1 4.03Å; R353-V370 HydrophobicContact CG-CG1 4.2Å; I354-V370 WeakPolarHBondContact O-CA 3.28Å; R355-V370 HydrophobicContact CG-CG1 4.37Å; R355-V370 HydrophobicContact CG-CG2 4.29Å |
| 371 | L | 87.5 | Confident | 78.4 | Confident | 19 Ų | 19 | 54.9 Ų | 54.9 | 10% | 0.099 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 128.2 | 175.8 | -50.7 | 177.1 | 0 | 0 | 0 | 108.8 | R353 I354 L356 L390 W403 W410 | R353-L371 WeakPolarHBondContact CA-O 3.34Å; I354-L371 HydrophobicContact CB-CB 4.26Å; I354-L371 HydrophobicContact CD1-CB 4.21Å; I354-L371 PolarHBondContact N-O 3.02Å; I354-L371 PolarHBondContact O-N 3.37Å; L356-L371 HydrophobicContact CD1-CD1 4.41Å; L371-L390 HydrophobicContact CD1-CD2 4.08Å; L371-W403 HydrophobicContact CB-CH2 3.78Å; L371-W403 HydrophobicContact CB-CZ2 3.94Å; L371-W403 HydrophobicContact CB-CZ3 4.15Å; L371-W403 HydrophobicContact CD1-CD2 3.83Å; L371-W403 HydrophobicContact CD1-CE3 3.99Å; L371-W403 HydrophobicContact CD1-CG 4.22Å; L371-W403 HydrophobicContact CD1-CH2 4.49Å; L371-W403 HydrophobicContact CD1-CZ2 4.34Å; L371-W403 HydrophobicContact CD1-CZ3 4.31Å; L371-W403 HydrophobicContact CD2-CE3 4.22Å; L371-W403 HydrophobicContact CD2-CZ3 4.03Å; L371-W403 HydrophobicContact CG-CH2 4.48Å; L371-W403 HydrophobicContact CG-CZ3 4.39Å; L371-W410 HydrophobicContact CD2-CB 3.77Å; L371-W410 HydrophobicContact CD2-CG 4.09Å |
| 372 | A | 80.7 | Confident | 79.7 | Confident | 62 Ų | 62 | 51.4 Ų | 51.4 | 51% | 0.512 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 129.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | R353 | R353-A372 HydrophobicContact CG-CB 4.26Å |
| 373 | A | 68.6 | Low | 81.4 | Confident | 25 Ų | 25 | 50.4 Ų | 50.4 | 21% | 0.207 | 29% | 0.291 | C | S | . | . | trans | -164.6 | -41.4 | -165.9 | 0 | 0 | 0 | 0 | 0 | 114 | W401 W403 | A373-W401 HydrophobicContact CB-CD2 3.66Å; A373-W401 HydrophobicContact CB-CE3 3.46Å; A373-W401 VanDerWaalsContact CB-CE3 3.46Å; A373-W401 HydrophobicContact CB-CG 4.44Å; A373-W401 HydrophobicContact CB-CH2 3.63Å; A373-W401 HydrophobicContact CB-CZ2 3.79Å; A373-W401 HydrophobicContact CB-CZ3 3.46Å; A373-W401 VanDerWaalsContact CB-CZ3 3.46Å; A373-W401 WeakPolarHBondContact O-CZ2 3.32Å; A373-W403 HydrophobicContact CB-CH2 3.74Å; A373-W403 HydrophobicContact CB-CZ2 3.48Å; A373-W403 VanDerWaalsContact CB-CZ2 3.48Å | ||
| 374 | H | 81.6 | Confident | 82.7 | Confident | 11 Ų | 11 | 45.2 Ų | 45.2 | 5% | 0.051 | 26% | 0.264 | C | S | . | . | trans | -87.6 | 160 | -173.8 | -65.2 | -65.4 | 0 | 0 | 0 | 111.7 | Q352 V378 T392 S394 D396 S399 W401 | Q352-H374 WeakPolarHBondContact CB-O 3.47Å; H374-V378 HydrophobicContact CB-CG2 4.41Å; H374-T392 PolarHBondContact NE2-O 3.19Å; H374-S394 WeakPolarHBondContact CE1-CB 3.12Å; H374-S394 VanDerWaalsContact CG-CB 3.46Å; H374-S394 WeakPolarHBondContact ND1-CB 3.26Å; H374-D396 VanDerWaalsContact CA-OD2 3.26Å; H374-D396 WeakPolarHBondContact CA-OD2 3.23Å; H374-D396 VanDerWaalsContact CB-OD2 3.24Å; H374-D396 WeakPolarHBondContact CB-OD2 3.41Å; H374-D396 IonicContact CE1-OD1 2.68Å; H374-D396 PolarHBondContact CE1-OD1 2.85Å; H374-D396 IonicContact CE1-OD2 2.85Å; H374-D396 PolarHBondContact CE1-OD2 3.49Å; H374-D396 IonicContact CG-OD2 3.83Å; H374-D396 IonicContact ND1-OD2 2.84Å; H374-D396 PolarHBondContact ND1-OD2 3.18Å; H374-S399 PolarHBondContact CE1-OG 3.31Å; H374-S399 PolarHBondContact ND1-OG 3.38Å; H374-S399 VanDerWaalsContact ND1-OG 3.09Å; H374-S399 PolarHBondContact NE2-O 3.22Å; H374-S399 PolarHBondContact NE2-OG 3.37Å; H374-W401 AromaticContact CE1-CD1 3.75Å; H374-W401 AromaticContact CE1-NE1 3.65Å; H374-W401 AromaticContact ND1-CD1 3.75Å; H374-W401 AromaticContact ND1-NE1 3.87Å; H374-W401 AromaticContact NE2-CD1 2.9Å; H374-W401 AromaticContact NE2-CG 3.59Å; H374-W401 PolarHBondContact NE2-N 3.32Å; H374-W401 AromaticContact NE2-NE1 3.75Å | ||
| 375 | E | 78.5 | Confident | 83.5 | Confident | 156 Ų | 156 | 43.7 Ų | 43.7 | 73% | 0.729 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -109.6 | -8.3 | 176.5 | -59.2 | -175.5 | 171.2 | 0 | 0 | 112.5 | Q352 D396 | Q352-E375 PolarHBondContact NE2-O 3.44Å; E375-D396 HydrophobicContact CB-CB 3.9Å; E375-D396 PolarHBondContact N-OD2 3.1Å |
| 376 | E | 82.3 | Confident | 83.8 | Confident | 66 Ų | 66 | 46.6 Ų | 46.6 | 31% | 0.308 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -127.1 | 179.8 | 171.2 | -72.4 | -170.5 | -133.1 | 0 | 0 | 110.6 | Q352 V378 S394 S395 D396 R424 | Q352-E376 WeakPolarHBondContact CA-O 3.42Å; E376-V378 PolarHBondContact O-N 3.49Å; E376-S394 PolarHBondContact O-OG 3.47Å; E376-S395 VanDerWaalsContact CD-C 3.5Å; E376-S395 VanDerWaalsContact OE1-O 3.1Å; E376-S395 WeakPolarHBondContact OE2-CB 3.42Å; E376-D396 HydrophobicContact CB-CB 4.01Å; E376-D396 HydrophobicContact CG-CB 4.02Å; E376-D396 WeakPolarHBondContact OE1-CA 3.32Å; E376-R424 VanDerWaalsContact CD-NH2 3.27Å; E376-R424 IonicContact OE1-CZ 3.13Å; E376-R424 IonicContact OE1-NH2 3.2Å; E376-R424 PolarHBondContact OE1-NH2 3.44Å; E376-R424 IonicContact OE2-CZ 2.78Å; E376-R424 IonicContact OE2-NH2 2.65Å; E376-R424 PolarHBondContact OE2-NH2 3.11Å |
| 377 | S | 83.5 | Confident | 83.8 | Confident | 39 Ų | 39 | 43.1 Ų | 43.1 | 27% | 0.273 | 27% | 0.269 | S | S | . | . | trans | -56.3 | 136.3 | 175.6 | -175.3 | 0 | 0 | 0 | 0 | 111.4 | N379 S394 | S377-N379 PolarHBondContact O-N 2.82Å; S377-N379 PolarHBondContact O-OD1 2.94Å; S377-S394 PolarHBondContact O-OG 3.3Å | ||
| 378 | V | 85 | Confident | 83.9 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 111 | 174 | -170.5 | 0 | 0 | 0 | 0 | 108.3 | A334 C349 I354 H374 E376 V381 G393 | A334-V378 WeakPolarHBondContact CB-O 3.43Å; C349-V378 PolarHBondContact O-N 3.07Å; I354-V378 HydrophobicContact CD1-CG2 4.32Å; I354-V378 HydrophobicContact CG1-CG1 4.09Å; I354-V378 HydrophobicContact CG1-CG2 4.2Å; H374-V378 HydrophobicContact CB-CG2 4.41Å; E376-V378 PolarHBondContact O-N 3.49Å; V378-V381 HydrophobicContact CG1-CG2 3.77Å; V378-G393 CarbonylContact C-O 3.52Å |
| 379 | N | 85.1 | Confident | 84.2 | Confident | 49 Ų | 49 | 42.3 Ų | 42.3 | 26% | 0.262 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | -36.1 | -176.5 | -62.9 | -20.9 | 0 | 0 | 0 | 111.8 | C335 S377 G393 S395 P425 | C335-N379 WeakPolarHBondContact CB-O 3.45Å; C335-N379 VanDerWaalsContact SG-C 3.52Å; C335-N379 PolarHBondContact SG-O 3.42Å; C335-N379 VanDerWaalsContact SG-O 3.32Å; S377-N379 PolarHBondContact O-N 2.82Å; S377-N379 PolarHBondContact O-OD1 2.94Å; N379-G393 PolarHBondContact N-O 2.92Å; N379-S395 PolarHBondContact ND2-OG 3.27Å; N379-S395 PolarHBondContact OD1-OG 3.14Å; N379-P425 PolarHBondContact ND2-O 3.33Å |
| 380 | S | 87.8 | Confident | 84.7 | Confident | 6 Ų | 6 | 40.9 Ų | 40.9 | 4% | 0.042 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 146.3 | -173.4 | -177.9 | 0 | 0 | 0 | 0 | 112 | C335 T392 G393 L428 | C335-S380 WeakPolarHBondContact SG-CA 3.4Å; S380-T392 WeakPolarHBondContact O-CA 3.49Å; S380-G393 PolarHBondContact N-O 2.85Å; S380-G393 PolarHBondContact O-N 3.2Å; S380-L428 PolarHBondContact OG-N 3.42Å |
| 381 | V | 90.6 | Very high | 84.9 | Confident | 8 Ų | 8 | 37.3 Ų | 37.3 | 5% | 0.048 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 137.1 | -179.4 | 175.4 | 0 | 0 | 0 | 0 | 107.3 | A346 I354 V378 L390 A391 T392 | A346-V381 HydrophobicContact CB-CG1 3.63Å; I354-V381 HydrophobicContact CG1-CG2 4.34Å; I354-V381 HydrophobicContact CG2-CG1 4.45Å; I354-V381 HydrophobicContact CG2-CG2 4.26Å; V378-V381 HydrophobicContact CG1-CG2 3.77Å; V381-L390 HydrophobicContact CG1-CD1 3.58Å; V381-L390 HydrophobicContact CG1-CG 4.41Å; V381-A391 CarbonylContact C-O 3.03Å; V381-A391 WeakPolarHBondContact CA-O 3.47Å; V381-T392 HydrophobicContact CG1-CG2 4.39Å; V381-T392 HydrophobicContact CG2-CG2 4.22Å |
| 382 | A | 91.3 | Very high | 85 | Confident | 8 Ų | 8 | 36.4 Ų | 36.4 | 7% | 0.066 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 119.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | D337 L390 A391 L428 W430 | D337-A382 WeakPolarHBondContact OD2-CA 3.38Å; A382-L390 CarbonylContact O-C 3.51Å; A382-A391 PolarHBondContact N-O 2.92Å; A382-A391 PolarHBondContact O-N 3.16Å; A382-L428 HydrophobicContact CB-CB 4.24Å; A382-L428 WeakPolarHBondContact CB-O 3.37Å; A382-W430 PolarHBondContact O-NE1 2.88Å |
| 383 | F | 92.7 | Very high | 85.3 | Confident | 9 Ų | 9 | 33.5 Ų | 33.5 | 4% | 0.039 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 148.3 | 170.3 | -77.8 | -77.9 | 0 | 0 | 0 | 111.3 | D337 L344 A346 L356 L390 W410 W430 | D337-F383 HydrophobicContact CB-CD2 4.4Å; D337-F383 PolarHBondContact OD2-N 2.86Å; L344-F383 HydrophobicContact CB-CZ 4.11Å; A346-F383 HydrophobicContact CB-CD2 4.44Å; A346-F383 HydrophobicContact CB-CE2 3.52Å; A346-F383 HydrophobicContact CB-CZ 3.77Å; L356-F383 HydrophobicContact CD2-CZ 4.44Å; F383-L390 HydrophobicContact CD1-CB 4.26Å; F383-L390 HydrophobicContact CD1-CD1 3.84Å; F383-L390 HydrophobicContact CD2-CD1 4.04Å; F383-L390 HydrophobicContact CE1-CB 4.41Å; F383-L390 HydrophobicContact CE1-CD1 4Å; F383-L390 HydrophobicContact CE1-CD2 4.46Å; F383-L390 HydrophobicContact CE2-CD1 4.21Å; F383-L390 HydrophobicContact CG-CD1 3.86Å; F383-L390 HydrophobicContact CZ-CD1 4.19Å; F383-W410 HydrophobicContact CE1-CH2 4.1Å; F383-W410 HydrophobicContact CE1-CZ2 4.39Å; F383-W430 VanDerWaalsContact C-CD1 3.48Å; F383-W430 PolarHBondContact O-NE1 2.83Å |
| 384 | S | 89.5 | Confident | 86.1 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -77.6 | 154.5 | 169.5 | 74 | 0 | 0 | 0 | 0 | 110.9 | P340 S386 G387 K389 D434 | P340-S384 WeakPolarHBondContact CG-O 3.32Å; S384-S386 PolarHBondContact O-N 3.31Å; S384-S386 PolarHBondContact OG-OG 3.48Å; S384-S386 VanDerWaalsContact OG-OG 3.07Å; S384-G387 WeakPolarHBondContact O-CA 3.41Å; S384-G387 PolarHBondContact O-N 3.41Å; S384-K389 PolarHBondContact N-O 3.48Å; S384-K389 WeakPolarHBondContact OG-CB 3.47Å; S384-K389 PolarHBondContact OG-N 2.88Å; S384-K389 PolarHBondContact OG-O 2.91Å; S384-D434 WeakPolarHBondContact CB-OD1 3.35Å; S384-D434 WeakPolarHBondContact CB-OD2 3.22Å; S384-D434 PolarHBondContact OG-OD2 3.33Å | ||
| 385 | H | 86.4 | Confident | 85.8 | Confident | 99 Ų | 99 | 32.8 Ų | 32.8 | 46% | 0.458 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -20.2 | -178.7 | -57.2 | -67.3 | 0 | 0 | 0 | 112.9 | P340 G387 S431 D434 | P340-H385 WeakPolarHBondContact CG-O 3.39Å; H385-G387 VanDerWaalsContact C-N 3.3Å; H385-S431 PolarHBondContact CD2-O 2.86Å; H385-S431 VanDerWaalsContact CD2-O 3.25Å; H385-D434 IonicContact CD2-OD1 2.82Å; H385-D434 PolarHBondContact CD2-OD1 2.94Å; H385-D434 IonicContact CG-OD1 2.72Å; H385-D434 PolarHBondContact N-OD1 2.85Å; H385-D434 PolarHBondContact N-OD2 3.32Å |
| 386 | S | 78.7 | Confident | 85.4 | Confident | 63 Ų | 63 | 26.7 Ų | 26.7 | 44% | 0.441 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -4.7 | 166.4 | 56.5 | 0 | 0 | 0 | 0 | 115.2 | S384 L388 D434 | S384-S386 PolarHBondContact O-N 3.31Å; S384-S386 PolarHBondContact OG-OG 3.48Å; S384-S386 VanDerWaalsContact OG-OG 3.07Å; S386-L388 PolarHBondContact O-N 3.05Å; S386-D434 WeakPolarHBondContact CB-OD2 3.17Å; S386-D434 PolarHBondContact N-OD2 2.65Å; S386-D434 PolarHBondContact OG-OD2 2.87Å |
| 387 | G | 76.7 | Confident | 84.2 | Confident | 25 Ų | 25 | 25.2 Ų | 25.2 | 26% | 0.258 | 15% | 0.154 | S | C | . | . | S | Bend | trans | 68.7 | -19.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | S384 H385 K389 | S384-G387 WeakPolarHBondContact O-CA 3.41Å; S384-G387 PolarHBondContact O-N 3.41Å; H385-G387 VanDerWaalsContact C-N 3.3Å; G387-K389 VanDerWaalsContact C-N 3.31Å; G387-K389 PolarHBondContact O-N 3.27Å |
| 388 | L | 83.9 | Confident | 83 | Confident | 100 Ų | 100 | 23.6 Ų | 23.6 | 52% | 0.524 | 14% | 0.144 | S | C | . | . | S | Bend | trans | -83.7 | 1.4 | -174.5 | -65.7 | 173.9 | 0 | 0 | 0 | 114.6 | S386 F405 | S386-L388 PolarHBondContact O-N 3.05Å; L388-F405 HydrophobicContact CD2-CD1 4.41Å; L388-F405 PolarHBondContact O-N 2.86Å |
| 389 | K | 89.7 | Confident | 82.2 | Confident | 39 Ų | 39 | 24.5 Ų | 24.5 | 17% | 0.17 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 158.8 | 173.7 | -41.1 | 171.2 | -161.7 | 157.6 | 0 | 111.2 | S384 G387 L402 W403 W430 G451 | S384-K389 PolarHBondContact N-O 3.48Å; S384-K389 WeakPolarHBondContact OG-CB 3.47Å; S384-K389 PolarHBondContact OG-N 2.88Å; S384-K389 PolarHBondContact OG-O 2.91Å; G387-K389 VanDerWaalsContact C-N 3.31Å; G387-K389 PolarHBondContact O-N 3.27Å; K389-L402 HydrophobicContact CB-CD1 4.1Å; K389-L402 HydrophobicContact CD-CD1 4.42Å; K389-W403 CarbonylContact C-O 3.59Å; K389-W403 WeakPolarHBondContact CA-O 3.17Å; K389-W403 WeakPolarHBondContact CB-O 3.22Å; K389-W430 HydrophobicContact CB-CH2 4.22Å; K389-W430 HydrophobicContact CB-CZ2 4.17Å; K389-W430 HydrophobicContact CD-CH2 3.66Å; K389-W430 HydrophobicContact CD-CZ2 4.41Å; K389-W430 HydrophobicContact CD-CZ3 4.09Å; K389-G451 PolarHBondContact NZ-O 2.81Å |
| 390 | L | 92 | Very high | 82 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 136.1 | 177.7 | 177.3 | 65.7 | 0 | 0 | 0 | 108.4 | A346 L356 L371 V381 A382 F383 T392 W403 W410 | A346-L390 HydrophobicContact CB-CD1 4.21Å; A346-L390 HydrophobicContact CB-CD2 4.32Å; L356-L390 HydrophobicContact CD2-CD2 3.94Å; L371-L390 HydrophobicContact CD1-CD2 4.08Å; V381-L390 HydrophobicContact CG1-CD1 3.58Å; V381-L390 HydrophobicContact CG1-CG 4.41Å; A382-L390 CarbonylContact O-C 3.51Å; F383-L390 HydrophobicContact CD1-CB 4.26Å; F383-L390 HydrophobicContact CD1-CD1 3.84Å; F383-L390 HydrophobicContact CD2-CD1 4.04Å; F383-L390 HydrophobicContact CE1-CB 4.41Å; F383-L390 HydrophobicContact CE1-CD1 4Å; F383-L390 HydrophobicContact CE1-CD2 4.46Å; F383-L390 HydrophobicContact CE2-CD1 4.21Å; F383-L390 HydrophobicContact CG-CD1 3.86Å; F383-L390 HydrophobicContact CZ-CD1 4.19Å; L390-T392 HydrophobicContact CD2-CG2 4.38Å; L390-T392 HydrophobicContact CG-CG2 4.13Å; L390-W403 HydrophobicContact CB-CB 4.21Å; L390-W403 PolarHBondContact N-O 3.13Å; L390-W403 WeakPolarHBondContact O-CB 3.44Å; L390-W403 PolarHBondContact O-N 3.39Å; L390-W410 HydrophobicContact CB-CE3 4.45Å; L390-W410 HydrophobicContact CB-CH2 4.06Å; L390-W410 HydrophobicContact CB-CZ3 3.73Å |
| 391 | A | 90.4 | Very high | 81.9 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 140.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110 | V381 A382 W401 L428 W430 L437 | V381-A391 CarbonylContact C-O 3.03Å; V381-A391 WeakPolarHBondContact CA-O 3.47Å; A382-A391 PolarHBondContact N-O 2.92Å; A382-A391 PolarHBondContact O-N 3.16Å; A391-W401 CarbonylContact C-O 3.46Å; A391-W401 WeakPolarHBondContact CA-O 3.18Å; A391-L428 HydrophobicContact CB-CD1 4.12Å; A391-W430 HydrophobicContact CB-CZ2 4.01Å; A391-L437 HydrophobicContact CB-CD1 3.64Å; A391-L437 HydrophobicContact CB-CD2 3.75Å; A391-L437 HydrophobicContact CB-CG 4.37Å |
| 392 | T | 89.8 | Confident | 81.8 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 134 | -177.3 | 69 | 0 | 0 | 0 | 0 | 111.2 | I354 H374 S380 V381 L390 C400 W401 W403 L428 | I354-T392 HydrophobicContact CD1-CG2 3.81Å; I354-T392 HydrophobicContact CG1-CG2 3.73Å; H374-T392 PolarHBondContact NE2-O 3.19Å; S380-T392 WeakPolarHBondContact O-CA 3.49Å; V381-T392 HydrophobicContact CG1-CG2 4.39Å; V381-T392 HydrophobicContact CG2-CG2 4.22Å; L390-T392 HydrophobicContact CD2-CG2 4.38Å; L390-T392 HydrophobicContact CG-CG2 4.13Å; T392-C400 CarbonylContact O-C 3.53Å; T392-C400 WeakPolarHBondContact O-CA 3.36Å; T392-C400 PolarHBondContact O-SG 3.31Å; T392-W401 PolarHBondContact N-O 3.31Å; T392-W401 PolarHBondContact O-N 3.22Å; T392-W403 PolarHBondContact OG1-NE1 3.06Å; T392-L428 VanDerWaalsContact C-CD1 3.5Å |
| 393 | G | 87.5 | Confident | 81.7 | Confident | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 140.6 | -171 | 0 | 0 | 0 | 0 | 0 | 112.9 | V378 N379 S380 | V378-G393 CarbonylContact C-O 3.52Å; N379-G393 PolarHBondContact N-O 2.92Å; S380-G393 PolarHBondContact N-O 2.85Å; S380-G393 PolarHBondContact O-N 3.2Å |
| 394 | S | 84.9 | Confident | 81.5 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 161.6 | -170.7 | 170.9 | 0 | 0 | 0 | 0 | 112.3 | H374 E376 S377 D396 S399 P425 | H374-S394 WeakPolarHBondContact CE1-CB 3.12Å; H374-S394 VanDerWaalsContact CG-CB 3.46Å; H374-S394 WeakPolarHBondContact ND1-CB 3.26Å; E376-S394 PolarHBondContact O-OG 3.47Å; S377-S394 PolarHBondContact O-OG 3.3Å; S394-D396 VanDerWaalsContact C-N 3.27Å; S394-D396 WeakPolarHBondContact CB-OD2 3.47Å; S394-D396 PolarHBondContact O-N 2.95Å; S394-D396 PolarHBondContact OG-N 3.26Å; S394-D396 PolarHBondContact OG-OD1 2.83Å; S394-D396 PolarHBondContact OG-OD2 2.7Å; S394-S399 PolarHBondContact N-O 3.48Å; S394-P425 VanDerWaalsContact O-CD 3.23Å; S394-P425 WeakPolarHBondContact O-CD 3.33Å; S394-P425 VanDerWaalsContact O-CG 3.28Å; S394-P425 WeakPolarHBondContact O-CG 3.42Å |
| 395 | S | 76.4 | Confident | 81.3 | Confident | 21 Ų | 21 | 33 Ų | 33 | 15% | 0.147 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -76.6 | -5.4 | 176.9 | -67.5 | 0 | 0 | 0 | 0 | 114.4 | E376 N379 G397 R424 | E376-S395 VanDerWaalsContact CD-C 3.5Å; E376-S395 VanDerWaalsContact OE1-O 3.1Å; E376-S395 WeakPolarHBondContact OE2-CB 3.42Å; N379-S395 PolarHBondContact ND2-OG 3.27Å; N379-S395 PolarHBondContact OD1-OG 3.14Å; S395-G397 VanDerWaalsContact C-N 3.27Å; S395-G397 PolarHBondContact O-N 3.26Å; S395-R424 WeakPolarHBondContact O-CG 3.02Å; S395-R424 PolarHBondContact O-NE 3.15Å; S395-R424 PolarHBondContact O-NH2 3.23Å |
| 396 | D | 68.6 | Low | 80.8 | Confident | 28 Ų | 28 | 32.2 Ų | 32.2 | 15% | 0.15 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -67.9 | 58.4 | -170.9 | 49.8 | 27.9 | 0 | 0 | 0 | 116.9 | H374 E375 E376 S394 G398 S399 | H374-D396 VanDerWaalsContact CA-OD2 3.26Å; H374-D396 WeakPolarHBondContact CA-OD2 3.23Å; H374-D396 VanDerWaalsContact CB-OD2 3.24Å; H374-D396 WeakPolarHBondContact CB-OD2 3.41Å; H374-D396 IonicContact CE1-OD1 2.68Å; H374-D396 PolarHBondContact CE1-OD1 2.85Å; H374-D396 IonicContact CE1-OD2 2.85Å; H374-D396 PolarHBondContact CE1-OD2 3.49Å; H374-D396 IonicContact CG-OD2 3.83Å; H374-D396 IonicContact ND1-OD2 2.84Å; H374-D396 PolarHBondContact ND1-OD2 3.18Å; E375-D396 HydrophobicContact CB-CB 3.9Å; E375-D396 PolarHBondContact N-OD2 3.1Å; E376-D396 HydrophobicContact CB-CB 4.01Å; E376-D396 HydrophobicContact CG-CB 4.02Å; E376-D396 WeakPolarHBondContact OE1-CA 3.32Å; S394-D396 VanDerWaalsContact C-N 3.27Å; S394-D396 WeakPolarHBondContact CB-OD2 3.47Å; S394-D396 PolarHBondContact O-N 2.95Å; S394-D396 PolarHBondContact OG-N 3.26Å; S394-D396 PolarHBondContact OG-OD1 2.83Å; S394-D396 PolarHBondContact OG-OD2 2.7Å; D396-G398 PolarHBondContact O-N 2.95Å; D396-S399 VanDerWaalsContact CG-OG 3.25Å; D396-S399 WeakPolarHBondContact OD1-CB 3.31Å; D396-S399 PolarHBondContact OD1-N 3.31Å; D396-S399 VanDerWaalsContact OD1-N 3.14Å; D396-S399 PolarHBondContact OD1-OG 3.06Å; D396-S399 PolarHBondContact OD2-OG 3.3Å |
| 397 | G | 57.8 | Low | 80.7 | Confident | 34 Ų | 34 | 33.5 Ų | 33.5 | 35% | 0.351 | 19% | 0.192 | S | C | . | . | S | Bend | trans | 71.4 | 11 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | S395 | S395-G397 VanDerWaalsContact C-N 3.27Å; S395-G397 PolarHBondContact O-N 3.26Å |
| 398 | G | 58.4 | Low | 80.6 | Confident | 6 Ų | 6 | 35.1 Ų | 35.1 | 6% | 0.062 | 21% | 0.209 | C | C | . | . | S | Bend | trans | 98.6 | 42.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | D396 F417 C423 | D396-G398 PolarHBondContact O-N 2.95Å; G398-F417 WeakPolarHBondContact O-CB 3.42Å; G398-F417 WeakPolarHBondContact O-CD2 3.3Å; G398-F417 VanDerWaalsContact O-CG 3.29Å; G398-F417 WeakPolarHBondContact O-CG 3.5Å; G398-C423 WeakPolarHBondContact CA-O 3.27Å |
| 399 | S | 68.8 | Low | 80.4 | Confident | 19 Ų | 19 | 36.8 Ų | 36.8 | 13% | 0.133 | 21% | 0.214 | C | C | . | . | trans | -83.8 | 131.7 | 167.4 | 83.9 | 0 | 0 | 0 | 0 | 111.6 | H374 S394 D396 W401 | H374-S399 PolarHBondContact CE1-OG 3.31Å; H374-S399 PolarHBondContact ND1-OG 3.38Å; H374-S399 VanDerWaalsContact ND1-OG 3.09Å; H374-S399 PolarHBondContact NE2-O 3.22Å; H374-S399 PolarHBondContact NE2-OG 3.37Å; S394-S399 PolarHBondContact N-O 3.48Å; D396-S399 VanDerWaalsContact CG-OG 3.25Å; D396-S399 WeakPolarHBondContact OD1-CB 3.31Å; D396-S399 PolarHBondContact OD1-N 3.31Å; D396-S399 VanDerWaalsContact OD1-N 3.14Å; D396-S399 PolarHBondContact OD1-OG 3.06Å; D396-S399 PolarHBondContact OD2-OG 3.3Å; S399-W401 PolarHBondContact OG-NE1 2.9Å | ||
| 400 | C | 80.5 | Confident | 80.2 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 141.8 | 155.7 | -170.5 | 0 | 0 | 0 | 0 | 107.6 | T392 L415 F417 L428 | T392-C400 CarbonylContact O-C 3.53Å; T392-C400 WeakPolarHBondContact O-CA 3.36Å; T392-C400 PolarHBondContact O-SG 3.31Å; C400-L415 HydrophobicContact CB-CB 4.25Å; C400-L415 HydrophobicContact CB-CD1 3.72Å; C400-L415 WeakPolarHBondContact O-CB 3.47Å; C400-L415 PolarHBondContact O-N 2.85Å; C400-L415 VanDerWaalsContact SG-CD1 3.51Å; C400-F417 HydrophobicContact CB-CE2 3.57Å; C400-F417 HydrophobicContact CB-CZ 3.97Å; C400-L428 WeakPolarHBondContact SG-CD1 3.46Å; C400-L428 VanDerWaalsContact SG-CD2 3.55Å |
| 401 | W | 85.6 | Confident | 79.8 | Confident | 47 Ų | 47 | 44.1 Ų | 44.1 | 18% | 0.178 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 133.1 | -177.5 | -71.7 | 55 | 0 | 0 | 0 | 109 | A373 H374 A391 T392 S399 W403 S412 | A373-W401 HydrophobicContact CB-CD2 3.66Å; A373-W401 HydrophobicContact CB-CE3 3.46Å; A373-W401 VanDerWaalsContact CB-CE3 3.46Å; A373-W401 HydrophobicContact CB-CG 4.44Å; A373-W401 HydrophobicContact CB-CH2 3.63Å; A373-W401 HydrophobicContact CB-CZ2 3.79Å; A373-W401 HydrophobicContact CB-CZ3 3.46Å; A373-W401 VanDerWaalsContact CB-CZ3 3.46Å; A373-W401 WeakPolarHBondContact O-CZ2 3.32Å; H374-W401 AromaticContact CE1-CD1 3.75Å; H374-W401 AromaticContact CE1-NE1 3.65Å; H374-W401 AromaticContact ND1-CD1 3.75Å; H374-W401 AromaticContact ND1-NE1 3.87Å; H374-W401 AromaticContact NE2-CD1 2.9Å; H374-W401 AromaticContact NE2-CG 3.59Å; H374-W401 PolarHBondContact NE2-N 3.32Å; H374-W401 AromaticContact NE2-NE1 3.75Å; A391-W401 CarbonylContact C-O 3.46Å; A391-W401 WeakPolarHBondContact CA-O 3.18Å; T392-W401 PolarHBondContact N-O 3.31Å; T392-W401 PolarHBondContact O-N 3.22Å; S399-W401 PolarHBondContact OG-NE1 2.9Å; W401-W403 HydrophobicContact CD2-CZ2 4.49Å; W401-W403 HydrophobicContact CE3-CH2 4.02Å; W401-W403 AromaticContact CE3-CZ2 3.8Å; W401-W403 HydrophobicContact CE3-CZ2 3.8Å; W401-W403 HydrophobicContact CZ3-CH2 4.23Å; W401-W403 HydrophobicContact CZ3-CZ2 4.42Å; W401-S412 VanDerWaalsContact CE3-CB 3.46Å |
| 402 | L | 88.9 | Confident | 79.3 | Confident | 11 Ų | 11 | 47.3 Ų | 47.3 | 6% | 0.058 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 118.6 | 170.6 | 174.7 | 52.4 | 0 | 0 | 0 | 108.7 | K389 S412 M413 L415 W430 | K389-L402 HydrophobicContact CB-CD1 4.1Å; K389-L402 HydrophobicContact CD-CD1 4.42Å; L402-S412 CarbonylContact O-C 3.49Å; L402-M413 HydrophobicContact CB-CE 4.38Å; L402-M413 HydrophobicContact CD2-CE 3.83Å; L402-M413 HydrophobicContact CG-CE 4.36Å; L402-M413 PolarHBondContact N-O 3.37Å; L402-M413 PolarHBondContact O-N 3.41Å; L402-L415 HydrophobicContact CB-CD1 4.27Å; L402-W430 HydrophobicContact CD1-CH2 3.5Å; L402-W430 VanDerWaalsContact CD1-CH2 3.5Å; L402-W430 HydrophobicContact CD1-CZ2 3.59Å; L402-W430 HydrophobicContact CD2-CH2 4.33Å |
| 403 | W | 89.4 | Confident | 78.8 | Confident | 12 Ų | 12 | 51.3 Ų | 51.3 | 5% | 0.045 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 138.8 | 176.9 | -52.6 | 84.9 | 0 | 0 | 0 | 110 | I354 L371 A373 K389 L390 T392 W401 W410 R411 | I354-W403 HydrophobicContact CD1-CZ2 4.38Å; L371-W403 HydrophobicContact CB-CH2 3.78Å; L371-W403 HydrophobicContact CB-CZ2 3.94Å; L371-W403 HydrophobicContact CB-CZ3 4.15Å; L371-W403 HydrophobicContact CD1-CD2 3.83Å; L371-W403 HydrophobicContact CD1-CE3 3.99Å; L371-W403 HydrophobicContact CD1-CG 4.22Å; L371-W403 HydrophobicContact CD1-CH2 4.49Å; L371-W403 HydrophobicContact CD1-CZ2 4.34Å; L371-W403 HydrophobicContact CD1-CZ3 4.31Å; L371-W403 HydrophobicContact CD2-CE3 4.22Å; L371-W403 HydrophobicContact CD2-CZ3 4.03Å; L371-W403 HydrophobicContact CG-CH2 4.48Å; L371-W403 HydrophobicContact CG-CZ3 4.39Å; A373-W403 HydrophobicContact CB-CH2 3.74Å; A373-W403 HydrophobicContact CB-CZ2 3.48Å; A373-W403 VanDerWaalsContact CB-CZ2 3.48Å; K389-W403 CarbonylContact C-O 3.59Å; K389-W403 WeakPolarHBondContact CA-O 3.17Å; K389-W403 WeakPolarHBondContact CB-O 3.22Å; L390-W403 HydrophobicContact CB-CB 4.21Å; L390-W403 PolarHBondContact N-O 3.13Å; L390-W403 WeakPolarHBondContact O-CB 3.44Å; L390-W403 PolarHBondContact O-N 3.39Å; T392-W403 PolarHBondContact OG1-NE1 3.06Å; W401-W403 HydrophobicContact CD2-CZ2 4.49Å; W401-W403 HydrophobicContact CE3-CH2 4.02Å; W401-W403 AromaticContact CE3-CZ2 3.8Å; W401-W403 HydrophobicContact CE3-CZ2 3.8Å; W401-W403 HydrophobicContact CZ3-CH2 4.23Å; W401-W403 HydrophobicContact CZ3-CZ2 4.42Å; W403-W410 HydrophobicContact CB-CE3 3.78Å; W403-W410 HydrophobicContact CB-CZ3 4.31Å; W403-W410 HydrophobicContact CE3-CB 4.25Å; W403-R411 CarbonylContact C-O 3.5Å; W403-R411 VanDerWaalsContact CA-O 3.3Å; W403-R411 WeakPolarHBondContact CA-O 3.46Å |
| 404 | K | 87.1 | Confident | 78.4 | Confident | 105 Ų | 105 | 55.2 Ų | 55.2 | 46% | 0.457 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 128.2 | 172.9 | -173.7 | -167.8 | 178.1 | -166 | 0 | 109.8 | R411 | K404-R411 PolarHBondContact N-O 3.35Å; K404-R411 PolarHBondContact O-N 3.33Å |
| 405 | F | 85.4 | Confident | 77.8 | Confident | 82 Ų | 82 | 55.4 Ų | 55.4 | 36% | 0.36 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 122.1 | 171.3 | -167.1 | -113.2 | 0 | 0 | 0 | 109.9 | L388 G408 W410 | L388-F405 HydrophobicContact CD2-CD1 4.41Å; L388-F405 PolarHBondContact O-N 2.86Å; F405-G408 VanDerWaalsContact CE2-C 3.5Å; F405-W410 HydrophobicContact CB-CD2 4.16Å; F405-W410 HydrophobicContact CB-CE3 3.98Å; F405-W410 HydrophobicContact CB-CH2 4.04Å; F405-W410 HydrophobicContact CB-CZ2 4.2Å; F405-W410 HydrophobicContact CB-CZ3 3.93Å; F405-W410 AromaticContact CD2-CD1 3.93Å; F405-W410 AromaticContact CD2-CD2 3.94Å; F405-W410 HydrophobicContact CD2-CD2 3.94Å; F405-W410 AromaticContact CD2-CE2 3.72Å; F405-W410 HydrophobicContact CD2-CG 4.09Å; F405-W410 HydrophobicContact CD2-CZ2 4.23Å; F405-W410 AromaticContact CD2-NE1 3.68Å; F405-W410 HydrophobicContact CG-CZ2 4.46Å |
| 406 | Q | 77.2 | Confident | 77 | Confident | 83 Ų | 83 | 58.5 Ų | 58.5 | 39% | 0.388 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 129.2 | 178.8 | -174.7 | 172.5 | -32 | 0 | 0 | 111 | Q409 | Q406-Q409 PolarHBondContact N-O 3.39Å; Q406-Q409 PolarHBondContact O-N 2.9Å |
| 407 | A | 75.3 | Confident | 76.6 | Confident | 91 Ų | 91 | 58.4 Ų | 58.4 | 75% | 0.752 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 49 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q409 | A407-Q409 PolarHBondContact O-N 2.89Š|
| 408 | G | 74.6 | Confident | 76.3 | Confident | 59 Ų | 59 | 65.6 Ų | 65.6 | 61% | 0.608 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.6 | 0.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | F405 | F405-G408 VanDerWaalsContact CE2-C 3.5Š|
| 409 | Q | 80.2 | Confident | 75.8 | Confident | 135 Ų | 135 | 75.2 Ų | 75.2 | 63% | 0.631 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 149.3 | -174.6 | -64.9 | -177.8 | -12.5 | 0 | 0 | 112.4 | Q406 A407 | Q406-Q409 PolarHBondContact N-O 3.39Å; Q406-Q409 PolarHBondContact O-N 2.9Å; A407-Q409 PolarHBondContact O-N 2.89Å |
| 410 | W | 85.7 | Confident | 75.1 | Confident | 48 Ų | 48 | 82 Ų | 82 | 18% | 0.182 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 121.1 | 172.3 | -70.1 | 97.1 | 0 | 0 | 0 | 110.6 | L356 L371 F383 L390 W403 F405 | L356-W410 HydrophobicContact CD1-CZ2 4.26Å; L356-W410 VanDerWaalsContact CD1-NE1 3.25Å; L371-W410 HydrophobicContact CD2-CB 3.77Å; L371-W410 HydrophobicContact CD2-CG 4.09Å; F383-W410 HydrophobicContact CE1-CH2 4.1Å; F383-W410 HydrophobicContact CE1-CZ2 4.39Å; L390-W410 HydrophobicContact CB-CE3 4.45Å; L390-W410 HydrophobicContact CB-CH2 4.06Å; L390-W410 HydrophobicContact CB-CZ3 3.73Å; W403-W410 HydrophobicContact CB-CE3 3.78Å; W403-W410 HydrophobicContact CB-CZ3 4.31Å; W403-W410 HydrophobicContact CE3-CB 4.25Å; F405-W410 HydrophobicContact CB-CD2 4.16Å; F405-W410 HydrophobicContact CB-CE3 3.98Å; F405-W410 HydrophobicContact CB-CH2 4.04Å; F405-W410 HydrophobicContact CB-CZ2 4.2Å; F405-W410 HydrophobicContact CB-CZ3 3.93Å; F405-W410 AromaticContact CD2-CD1 3.93Å; F405-W410 AromaticContact CD2-CD2 3.94Å; F405-W410 HydrophobicContact CD2-CD2 3.94Å; F405-W410 AromaticContact CD2-CE2 3.72Å; F405-W410 HydrophobicContact CD2-CG 4.09Å; F405-W410 HydrophobicContact CD2-CZ2 4.23Å; F405-W410 AromaticContact CD2-NE1 3.68Å; F405-W410 HydrophobicContact CG-CZ2 4.46Å |
| 411 | R | 82.6 | Confident | 73.7 | Confident | 144 Ų | 144 | 88.4 Ų | 88.4 | 54% | 0.543 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 125.8 | 176.8 | -63.5 | -175.1 | 177.3 | -151.5 | -4.6 | 110.6 | W403 K404 | W403-R411 CarbonylContact C-O 3.5Å; W403-R411 VanDerWaalsContact CA-O 3.3Å; W403-R411 WeakPolarHBondContact CA-O 3.46Å; K404-R411 PolarHBondContact N-O 3.35Å; K404-R411 PolarHBondContact O-N 3.33Å |
| 412 | S | 80.8 | Confident | 72.3 | Confident | 67 Ų | 67 | 94.4 Ų | 94.4 | 47% | 0.469 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 145.3 | 179.4 | 49.1 | 0 | 0 | 0 | 0 | 113.9 | W401 L402 | W401-S412 VanDerWaalsContact CE3-CB 3.46Å; L402-S412 CarbonylContact O-C 3.49Å |
| 413 | M | 78.4 | Confident | 71 | Confident | 85 Ų | 85 | 94.2 Ų | 94.2 | 42% | 0.419 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 123.3 | 164.5 | 178.9 | 175.1 | 67.7 | 0 | 0 | 109.4 | L402 | L402-M413 HydrophobicContact CB-CE 4.38Å; L402-M413 HydrophobicContact CD2-CE 3.83Å; L402-M413 HydrophobicContact CG-CE 4.36Å; L402-M413 PolarHBondContact N-O 3.37Å; L402-M413 PolarHBondContact O-N 3.41Å |
| 414 | T | 79.2 | Confident | 70.4 | Confident | 82 Ų | 82 | 97.9 Ų | 97.9 | 50% | 0.503 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 134.2 | 177.3 | -43.1 | 0 | 0 | 0 | 0 | 110.8 | ||
| 415 | L | 72.4 | Confident | 69.9 | Low | 5 Ų | 5 | 93 Ų | 93 | 3% | 0.026 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 134.2 | 173.8 | -72.1 | 147 | 0 | 0 | 0 | 109.8 | C400 L402 F417 L437 Y449 G454 | C400-L415 HydrophobicContact CB-CB 4.25Å; C400-L415 HydrophobicContact CB-CD1 3.72Å; C400-L415 WeakPolarHBondContact O-CB 3.47Å; C400-L415 PolarHBondContact O-N 2.85Å; C400-L415 VanDerWaalsContact SG-CD1 3.51Å; L402-L415 HydrophobicContact CB-CD1 4.27Å; L415-F417 HydrophobicContact CB-CE2 4.03Å; L415-F417 WeakPolarHBondContact O-CD2 3.28Å; L415-F417 PolarHBondContact O-N 3.37Å; L415-L437 HydrophobicContact CD1-CD2 3.61Å; L415-Y449 HydrophobicContact CD2-CD1 3.82Å; L415-Y449 HydrophobicContact CD2-CE1 4.33Å; L415-Y449 HydrophobicContact CD2-CG 3.95Å; L415-G454 VanDerWaalsContact CD2-CA 3.45Å |
| 416 | P | 61.1 | Low | 69.6 | Low | 85 Ų | 85 | 90 Ų | 90 | 55% | 0.552 | 45% | 0.452 | S | S | * | . | trans | -75.9 | 115.3 | -178 | 29.3 | -33.1 | 0 | 0 | 0 | 111.3 | Y449 G454 | P416-Y449 HydrophobicContact CG-CE1 4.47Å; P416-Y449 PolarHBondContact O-OH 3.47Å; P416-G454 WeakPolarHBondContact CD-O 3.42Å | ||
| 417 | F | 58.9 | Low | 70 | Confident | 27 Ų | 27 | 88.4 Ų | 88.4 | 12% | 0.118 | 45% | 0.446 | C | S | . | . | trans | -107.1 | 147.6 | 160.4 | -65.8 | -100.4 | 0 | 0 | 0 | 108.8 | G398 C400 L415 K419 M441 Y447 Y449 | G398-F417 WeakPolarHBondContact O-CB 3.42Å; G398-F417 WeakPolarHBondContact O-CD2 3.3Å; G398-F417 VanDerWaalsContact O-CG 3.29Å; G398-F417 WeakPolarHBondContact O-CG 3.5Å; C400-F417 HydrophobicContact CB-CE2 3.57Å; C400-F417 HydrophobicContact CB-CZ 3.97Å; L415-F417 HydrophobicContact CB-CE2 4.03Å; L415-F417 WeakPolarHBondContact O-CD2 3.28Å; L415-F417 PolarHBondContact O-N 3.37Å; F417-K419 PolarHBondContact O-N 2.77Å; F417-M441 HydrophobicContact CD1-CE 3.81Å; F417-M441 HydrophobicContact CE1-CE 3.63Å; F417-M441 HydrophobicContact CE1-SD 3.78Å; F417-Y447 HydrophobicContact CD1-CD1 4.37Å; F417-Y447 HydrophobicContact CD1-CE1 4.41Å; F417-Y447 HydrophobicContact CE1-CD1 4.26Å; F417-Y447 HydrophobicContact CE1-CG 4.35Å; F417-Y449 WeakPolarHBondContact CD1-OH 3.15Å; F417-Y449 HydrophobicContact CE1-CE2 4.15Å; F417-Y449 WeakPolarHBondContact CE1-OH 3.4Å; F417-Y449 HydrophobicContact CE2-CE2 4.39Å; F417-Y449 AromaticContact CZ-CE2 3.81Å; F417-Y449 HydrophobicContact CZ-CE2 3.81Å; F417-Y449 AromaticContact CZ-CZ 3.96Å; F417-Y449 WeakPolarHBondContact CZ-OH 3.46Å | ||
| 418 | R | 52.4 | Low | 70.8 | Confident | 184 Ų | 184 | 84.3 Ų | 84.3 | 69% | 0.694 | 41% | 0.411 | S | S | * | . | trans | -66 | 121.3 | 164.9 | -73 | 176.1 | 170.8 | 156.5 | -4.9 | 107 | R420 | R418-R420 PolarHBondContact O-N 3.23Š| ||
| 419 | K | 47.8 | Very low | 71.6 | Confident | 208 Ų | 208 | 83 Ų | 83 | 90% | 0.904 | 39% | 0.392 | S | S | * | . | trans | -64.4 | 75.4 | 177.6 | -74 | -167.3 | 174.7 | -169.9 | 0 | 111.7 | F417 | F417-K419 PolarHBondContact O-N 2.77Š| ||
| 420 | R | 53.5 | Low | 72.2 | Confident | 162 Ų | 162 | 76.8 Ų | 76.8 | 61% | 0.611 | 36% | 0.362 | S | S | * | . | trans | -110.4 | 129.9 | 169.4 | -69.9 | 178 | 170.9 | 179.7 | -5.2 | 107 | R418 K422 C423 | R418-R420 PolarHBondContact O-N 3.23Å; R420-K422 PolarHBondContact O-N 3.25Å; R420-C423 WeakPolarHBondContact O-CB 3.27Å; R420-C423 PolarHBondContact O-N 2.83Å | ||
| 421 | V | 51 | Low | 72.4 | Confident | 135 Ų | 135 | 74.6 Ų | 74.6 | 82% | 0.818 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -22.9 | -174.7 | -175.1 | 0 | 0 | 0 | 0 | 113.9 | ||
| 422 | K | 56.4 | Low | 72.5 | Confident | 173 Ų | 173 | 70.7 Ų | 70.7 | 75% | 0.752 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -12 | 179.7 | -61.2 | -175.6 | 177.9 | -177.2 | 0 | 114.8 | R420 R424 | R420-K422 PolarHBondContact O-N 3.25Å; K422-R424 PolarHBondContact O-N 3.37Å |
| 423 | C | 62 | Low | 72.6 | Confident | 6 Ų | 6 | 74 Ų | 74 | 4% | 0.041 | 35% | 0.351 | C | S | . | . | trans | -85.2 | 64.1 | -174.4 | -68.2 | 0 | 0 | 0 | 0 | 112.9 | G398 R420 M441 | G398-C423 WeakPolarHBondContact CA-O 3.27Å; R420-C423 WeakPolarHBondContact O-CB 3.27Å; R420-C423 PolarHBondContact O-N 2.83Å; C423-M441 HydrophobicContact CB-CE 3.91Å; C423-M441 WeakPolarHBondContact O-CE 3.35Å | ||
| 424 | R | 76.1 | Confident | 73.1 | Confident | 90 Ų | 90 | 70.6 Ų | 70.6 | 34% | 0.34 | 34% | 0.335 | S | S | . | . | trans | -94.6 | 122 | 174.2 | -74.6 | -179.7 | 159.1 | 164.1 | -15.3 | 111.6 | E376 S395 K422 M441 K442 | E376-R424 VanDerWaalsContact CD-NH2 3.27Å; E376-R424 IonicContact OE1-CZ 3.13Å; E376-R424 IonicContact OE1-NH2 3.2Å; E376-R424 PolarHBondContact OE1-NH2 3.44Å; E376-R424 IonicContact OE2-CZ 2.78Å; E376-R424 IonicContact OE2-NH2 2.65Å; E376-R424 PolarHBondContact OE2-NH2 3.11Å; S395-R424 WeakPolarHBondContact O-CG 3.02Å; S395-R424 PolarHBondContact O-NE 3.15Å; S395-R424 PolarHBondContact O-NH2 3.23Å; K422-R424 PolarHBondContact O-N 3.37Å; R424-M441 WeakPolarHBondContact O-CA 3.47Å; R424-K442 HydrophobicContact CB-CB 4.34Å; R424-K442 PolarHBondContact O-N 3.12Å | ||
| 425 | P | 77.9 | Confident | 73.5 | Confident | 2 Ų | 2 | 70.5 Ų | 70.5 | 1% | 0.013 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 142.9 | 174.2 | 28.6 | -35.3 | 0 | 0 | 0 | 112.5 | N379 S394 S440 M441 | N379-P425 PolarHBondContact ND2-O 3.33Å; S394-P425 VanDerWaalsContact O-CD 3.23Å; S394-P425 WeakPolarHBondContact O-CD 3.33Å; S394-P425 VanDerWaalsContact O-CG 3.28Å; S394-P425 WeakPolarHBondContact O-CG 3.42Å; P425-S440 CarbonylContact C-O 3.54Å; P425-S440 WeakPolarHBondContact CA-O 3.41Å; P425-M441 HydrophobicContact CB-CE 4.48Å; P425-M441 HydrophobicContact CB-SD 3.89Å |
| 426 | C | 79.1 | Confident | 74.3 | Confident | 19 Ų | 19 | 70.7 Ų | 70.7 | 13% | 0.128 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | -49.9 | 179.7 | -69.8 | 0 | 0 | 0 | 0 | 112.1 | S440 I467 | C426-S440 PolarHBondContact N-O 2.97Å; C426-I467 WeakPolarHBondContact CB-O 3.28Å |
| 427 | L | 85.8 | Confident | 75.7 | Confident | 50 Ų | 50 | 66.8 Ų | 66.8 | 26% | 0.262 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 146.6 | -179.8 | -175.2 | 65.1 | 0 | 0 | 0 | 111 | V429 A439 S440 H468 V470 | L427-V429 HydrophobicContact CD2-CG2 4.12Å; L427-V429 HydrophobicContact CG-CG2 4.09Å; L427-A439 WeakPolarHBondContact O-CA 3.39Å; L427-S440 WeakPolarHBondContact CB-OG 3.36Å; L427-S440 PolarHBondContact N-OG 3.3Å; L427-S440 PolarHBondContact O-N 3.11Å; L427-H468 WeakPolarHBondContact CD2-O 3.34Å; L427-V470 HydrophobicContact CD2-CB 4.06Å |
| 428 | L | 91.2 | Very high | 77.3 | Confident | 5 Ų | 5 | 65.6 Ų | 65.6 | 3% | 0.026 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 135.5 | 175.1 | -59.5 | 174.4 | 0 | 0 | 0 | 109.9 | S380 A382 A391 T392 C400 L437 I438 A439 | S380-L428 PolarHBondContact OG-N 3.42Å; A382-L428 HydrophobicContact CB-CB 4.24Å; A382-L428 WeakPolarHBondContact CB-O 3.37Å; A391-L428 HydrophobicContact CB-CD1 4.12Å; T392-L428 VanDerWaalsContact C-CD1 3.5Å; C400-L428 WeakPolarHBondContact SG-CD1 3.46Å; C400-L428 VanDerWaalsContact SG-CD2 3.55Å; L428-L437 HydrophobicContact CB-CD1 4.45Å; L428-I438 CarbonylContact C-O 3.51Å; L428-I438 WeakPolarHBondContact CA-O 3.49Å; L428-A439 HydrophobicContact CD2-CB 3.56Å |
| 429 | V | 91.1 | Very high | 79 | Confident | 32 Ų | 32 | 56.9 Ų | 56.9 | 19% | 0.194 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 146.7 | 175.5 | -158.3 | 0 | 0 | 0 | 0 | 110.9 | L427 I438 V470 P472 | L427-V429 HydrophobicContact CD2-CG2 4.12Å; L427-V429 HydrophobicContact CG-CG2 4.09Å; V429-I438 PolarHBondContact N-O 3.11Å; V429-I438 WeakPolarHBondContact O-CB 3.36Å; V429-I438 PolarHBondContact O-N 2.94Å; V429-V470 HydrophobicContact CG2-CB 4.29Å; V429-V470 HydrophobicContact CG2-CG1 4.36Å; V429-P472 HydrophobicContact CG1-CG 3.87Å |
| 430 | W | 93 | Very high | 81 | Confident | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.015 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 149.3 | 176.2 | -69.1 | 89.4 | 0 | 0 | 0 | 112 | A382 F383 K389 A391 L402 D434 L437 P472 | A382-W430 PolarHBondContact O-NE1 2.88Å; F383-W430 VanDerWaalsContact C-CD1 3.48Å; F383-W430 PolarHBondContact O-NE1 2.83Å; K389-W430 HydrophobicContact CB-CH2 4.22Å; K389-W430 HydrophobicContact CB-CZ2 4.17Å; K389-W430 HydrophobicContact CD-CH2 3.66Å; K389-W430 HydrophobicContact CD-CZ2 4.41Å; K389-W430 HydrophobicContact CD-CZ3 4.09Å; A391-W430 HydrophobicContact CB-CZ2 4.01Å; L402-W430 HydrophobicContact CD1-CH2 3.5Å; L402-W430 VanDerWaalsContact CD1-CH2 3.5Å; L402-W430 HydrophobicContact CD1-CZ2 3.59Å; L402-W430 HydrophobicContact CD2-CH2 4.33Å; W430-D434 HydrophobicContact CE3-CB 4.2Å; W430-D434 HydrophobicContact CZ3-CB 4.42Å; W430-L437 HydrophobicContact CD2-CD1 4.17Å; W430-L437 HydrophobicContact CE3-CB 4.34Å; W430-L437 HydrophobicContact CG-CD1 4.45Å; W430-L437 HydrophobicContact CH2-CB 4.5Å; W430-L437 HydrophobicContact CZ2-CD1 4.32Å; W430-L437 HydrophobicContact CZ3-CB 4.3Å; W430-P472 VanDerWaalsContact O-CG 3.23Å; W430-P472 WeakPolarHBondContact O-CG 3.48Å |
| 431 | S | 89.1 | Confident | 82.5 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.007 | 19% | 0.194 | C | C | . | . | trans | -80.3 | 153.7 | 165.5 | 70.2 | 0 | 0 | 0 | 0 | 111.2 | H385 H433 D434 Q435 Y436 E477 | H385-S431 PolarHBondContact CD2-O 2.86Å; H385-S431 VanDerWaalsContact CD2-O 3.25Å; S431-H433 VanDerWaalsContact C-N 3.27Å; S431-H433 PolarHBondContact O-N 3.45Å; S431-D434 WeakPolarHBondContact O-CA 3.34Å; S431-D434 PolarHBondContact O-N 3.19Å; S431-Q435 PolarHBondContact OG-N 3.09Å; S431-Y436 PolarHBondContact N-O 3.32Å; S431-Y436 PolarHBondContact OG-N 3.23Å; S431-E477 VanDerWaalsContact CB-OE1 3.28Å; S431-E477 WeakPolarHBondContact CB-OE1 3.33Å; S431-E477 PolarHBondContact OG-OE1 3.33Å | ||
| 432 | I | 85.1 | Confident | 84.1 | Confident | 62 Ų | 62 | 39 Ų | 39 | 32% | 0.318 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -29.4 | -166.9 | -171.3 | 162.9 | 0 | 0 | 0 | 116 | P474 E477 | I432-P474 WeakPolarHBondContact CD1-O 3.41Å; I432-E477 HydrophobicContact CG2-CB 4.21Å |
| 433 | H | 82.2 | Confident | 85.2 | Confident | 137 Ų | 137 | 33.8 Ų | 33.8 | 63% | 0.634 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | 17.1 | 175.6 | -50.7 | 119.7 | 0 | 0 | 0 | 113.4 | S431 Q435 E477 | S431-H433 VanDerWaalsContact C-N 3.27Å; S431-H433 PolarHBondContact O-N 3.45Å; H433-Q435 PolarHBondContact O-N 3.45Å; H433-Q435 VanDerWaalsContact O-N 3.09Å; H433-E477 IonicContact CE1-OE2 2.7Å; H433-E477 IonicContact CG-OE1 3.42Å; H433-E477 IonicContact CG-OE2 2.8Å; H433-E477 PolarHBondContact N-OE1 2.87Å; H433-E477 IonicContact ND1-OE1 3.6Å; H433-E477 IonicContact ND1-OE2 2.77Å; H433-E477 PolarHBondContact ND1-OE2 3.05Å |
| 434 | D | 89 | Confident | 86.1 | Confident | 13 Ų | 13 | 33.7 Ų | 33.7 | 7% | 0.07 | 16% | 0.162 | C | C | . | . | S | Bend | trans | 54 | 19.8 | -171.1 | -62.8 | -27.1 | 0 | 0 | 0 | 114.3 | S384 H385 S386 W430 S431 Y436 | S384-D434 WeakPolarHBondContact CB-OD1 3.35Å; S384-D434 WeakPolarHBondContact CB-OD2 3.22Å; S384-D434 PolarHBondContact OG-OD2 3.33Å; H385-D434 IonicContact CD2-OD1 2.82Å; H385-D434 PolarHBondContact CD2-OD1 2.94Å; H385-D434 IonicContact CG-OD1 2.72Å; H385-D434 PolarHBondContact N-OD1 2.85Å; H385-D434 PolarHBondContact N-OD2 3.32Å; S386-D434 WeakPolarHBondContact CB-OD2 3.17Å; S386-D434 PolarHBondContact N-OD2 2.65Å; S386-D434 PolarHBondContact OG-OD2 2.87Å; W430-D434 HydrophobicContact CE3-CB 4.2Å; W430-D434 HydrophobicContact CZ3-CB 4.42Å; S431-D434 WeakPolarHBondContact O-CA 3.34Å; S431-D434 PolarHBondContact O-N 3.19Å; D434-Y436 VanDerWaalsContact C-N 3.34Å |
| 435 | Q | 87.8 | Confident | 86.5 | Confident | 81 Ų | 81 | 29.4 Ų | 29.4 | 38% | 0.379 | 15% | 0.146 | S | C | . | . | trans | -70.8 | -33.7 | -178.3 | -163.1 | 179.9 | 33.7 | 0 | 0 | 111.4 | S431 H433 G451 E477 | S431-Q435 PolarHBondContact OG-N 3.09Å; H433-Q435 PolarHBondContact O-N 3.45Å; H433-Q435 VanDerWaalsContact O-N 3.09Å; Q435-G451 PolarHBondContact O-N 3.45Å; Q435-E477 VanDerWaalsContact CB-OE1 3.31Å; Q435-E477 WeakPolarHBondContact CB-OE1 3.49Å; Q435-E477 PolarHBondContact OE1-OE2 3.3Å | ||
| 436 | Y | 90.1 | Very high | 87 | Confident | 9 Ų | 9 | 29.5 Ų | 29.5 | 4% | 0.035 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 144.7 | -179.6 | -50.8 | -60.9 | 0 | 0 | 0 | 112.7 | S431 D434 I448 Y449 F450 V457 E477 R498 | S431-Y436 PolarHBondContact N-O 3.32Å; S431-Y436 PolarHBondContact OG-N 3.23Å; D434-Y436 VanDerWaalsContact C-N 3.34Å; Y436-I448 HydrophobicContact CD1-CG2 3.98Å; Y436-I448 HydrophobicContact CG-CG2 4.03Å; Y436-Y449 CarbonylContact C-O 3.54Å; Y436-Y449 VanDerWaalsContact CA-O 3.23Å; Y436-Y449 WeakPolarHBondContact CA-O 3.41Å; Y436-F450 HydrophobicContact CD1-CD1 4.31Å; Y436-F450 AromaticContact CE1-CD1 3.88Å; Y436-F450 HydrophobicContact CE1-CD1 3.88Å; Y436-F450 AromaticContact CE1-CE1 3.85Å; Y436-F450 HydrophobicContact CE1-CE1 3.85Å; Y436-V457 HydrophobicContact CD1-CG2 4.02Å; Y436-V457 HydrophobicContact CE1-CG2 4.16Å; Y436-E477 HydrophobicContact CD2-CG 3.96Å; Y436-E477 HydrophobicContact CE2-CG 3.83Å; Y436-R498 PolarHBondContact OH-NH1 3.06Å; Y436-R498 PolarHBondContact OH-NH2 3.48Å |
| 437 | L | 91 | Very high | 87.5 | Confident | 3 Ų | 3 | 29.7 Ų | 29.7 | 2% | 0.016 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 123.4 | 161.9 | 173.5 | 62.9 | 0 | 0 | 0 | 107.3 | A391 L415 L428 W430 Y449 | A391-L437 HydrophobicContact CB-CD1 3.64Å; A391-L437 HydrophobicContact CB-CD2 3.75Å; A391-L437 HydrophobicContact CB-CG 4.37Å; L415-L437 HydrophobicContact CD1-CD2 3.61Å; L428-L437 HydrophobicContact CB-CD1 4.45Å; W430-L437 HydrophobicContact CD2-CD1 4.17Å; W430-L437 HydrophobicContact CE3-CB 4.34Å; W430-L437 HydrophobicContact CG-CD1 4.45Å; W430-L437 HydrophobicContact CH2-CB 4.5Å; W430-L437 HydrophobicContact CZ2-CD1 4.32Å; W430-L437 HydrophobicContact CZ3-CB 4.3Å; L437-Y449 PolarHBondContact N-O 3.46Å; L437-Y449 PolarHBondContact O-N 3.33Å |
| 438 | I | 91.5 | Very high | 87.7 | Confident | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 126.1 | -173.2 | -54.8 | 178.9 | 0 | 0 | 0 | 107.6 | L428 V429 V446 I448 V470 P472 L480 I494 | L428-I438 CarbonylContact C-O 3.51Å; L428-I438 WeakPolarHBondContact CA-O 3.49Å; V429-I438 PolarHBondContact N-O 3.11Å; V429-I438 WeakPolarHBondContact O-CB 3.36Å; V429-I438 PolarHBondContact O-N 2.94Å; I438-V446 HydrophobicContact CG2-CG1 3.42Å; I438-V446 VanDerWaalsContact CG2-CG1 3.42Å; I438-I448 HydrophobicContact CG1-CG1 4.37Å; I438-I448 HydrophobicContact CG2-CG1 4.36Å; I438-V470 HydrophobicContact CG2-CG1 4.22Å; I438-P472 HydrophobicContact CD1-CB 4.49Å; I438-L480 HydrophobicContact CD1-CD1 3.63Å; I438-L480 HydrophobicContact CD1-CD2 4.15Å; I438-L480 HydrophobicContact CD1-CG 4.46Å; I438-L480 HydrophobicContact CG2-CD1 4.4Å; I438-L480 HydrophobicContact CG2-CD2 4.03Å; I438-I494 HydrophobicContact CD1-CD1 4.28Å |
| 439 | A | 88.6 | Confident | 87.5 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.008 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 113.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | L427 L428 V446 Y447 | L427-A439 WeakPolarHBondContact O-CA 3.39Å; L428-A439 HydrophobicContact CD2-CB 3.56Å; A439-V446 CarbonylContact O-C 3.43Å; A439-V446 WeakPolarHBondContact O-CA 3.37Å; A439-Y447 PolarHBondContact N-O 3.3Å; A439-Y447 PolarHBondContact O-N 3.08Å |
| 440 | S | 89.1 | Confident | 87.2 | Confident | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.007 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 145.9 | 173.5 | 85.6 | 0 | 0 | 0 | 0 | 110.6 | P425 C426 L427 I467 | P425-S440 CarbonylContact C-O 3.54Å; P425-S440 WeakPolarHBondContact CA-O 3.41Å; C426-S440 PolarHBondContact N-O 2.97Å; L427-S440 WeakPolarHBondContact CB-OG 3.36Å; L427-S440 PolarHBondContact N-OG 3.3Å; L427-S440 PolarHBondContact O-N 3.11Å; S440-I467 WeakPolarHBondContact CB-O 3.24Å; S440-I467 PolarHBondContact OG-O 2.9Å |
| 441 | M | 85.8 | Confident | 86.8 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 151.9 | -173.2 | -52.4 | -62.9 | -73.8 | 0 | 0 | 112.4 | F417 C423 R424 P425 N443 G444 S445 Y447 I467 | F417-M441 HydrophobicContact CD1-CE 3.81Å; F417-M441 HydrophobicContact CE1-CE 3.63Å; F417-M441 HydrophobicContact CE1-SD 3.78Å; C423-M441 HydrophobicContact CB-CE 3.91Å; C423-M441 WeakPolarHBondContact O-CE 3.35Å; R424-M441 WeakPolarHBondContact O-CA 3.47Å; P425-M441 HydrophobicContact CB-CE 4.48Å; P425-M441 HydrophobicContact CB-SD 3.89Å; M441-N443 WeakPolarHBondContact CB-OD1 3.37Å; M441-N443 PolarHBondContact O-N 2.94Å; M441-N443 VanDerWaalsContact O-N 3.11Å; M441-G444 PolarHBondContact O-N 3.17Å; M441-S445 WeakPolarHBondContact CB-O 3.25Å; M441-S445 PolarHBondContact N-O 3.22Å; M441-Y447 HydrophobicContact CG-CD2 3.55Å; M441-Y447 HydrophobicContact CG-CE2 3.85Å; M441-Y447 HydrophobicContact SD-CD2 4.33Å; M441-I467 PolarHBondContact O-N 3.46Å |
| 442 | K | 83.3 | Confident | 86.3 | Confident | 128 Ų | 128 | 35.1 Ų | 35.1 | 56% | 0.557 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -16.8 | 178.8 | -165.2 | 170.6 | -178.1 | 174.3 | 0 | 113.8 | R424 A466 | R424-K442 HydrophobicContact CB-CB 4.34Å; R424-K442 PolarHBondContact O-N 3.12Å; K442-A466 HydrophobicContact CG-CB 3.96Å; K442-A466 WeakPolarHBondContact O-CA 3.42Å; K442-A466 PolarHBondContact O-N 3.31Å |
| 443 | N | 80.2 | Confident | 85.9 | Confident | 64 Ų | 64 | 34 Ų | 34 | 34% | 0.342 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 3.5 | -178.9 | 76.2 | -68.3 | 0 | 0 | 0 | 115 | M441 S445 | M441-N443 WeakPolarHBondContact CB-OD1 3.37Å; M441-N443 PolarHBondContact O-N 2.94Å; M441-N443 VanDerWaalsContact O-N 3.11Å; N443-S445 PolarHBondContact ND2-OG 3.48Å |
| 444 | G | 80.9 | Confident | 85.6 | Confident | 4 Ų | 4 | 27.7 Ų | 27.7 | 4% | 0.041 | 14% | 0.135 | C | C | . | . | S | Bend | trans | 91.5 | 3.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | M441 G465 | M441-G444 PolarHBondContact O-N 3.17Å; G444-G465 WeakPolarHBondContact CA-O 3.47Å; G444-G465 PolarHBondContact N-O 2.84Å |
| 445 | S | 85.7 | Confident | 85.4 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.007 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 152.3 | 170.1 | -39.5 | 0 | 0 | 0 | 0 | 111.5 | M441 N443 I460 E461 | M441-S445 WeakPolarHBondContact CB-O 3.25Å; M441-S445 PolarHBondContact N-O 3.22Å; N443-S445 PolarHBondContact ND2-OG 3.48Å; S445-I460 CarbonylContact C-O 3.53Å; S445-I460 VanDerWaalsContact CA-O 3.26Å; S445-I460 WeakPolarHBondContact CA-O 3.35Å; S445-E461 WeakPolarHBondContact CB-OE1 3.49Å; S445-E461 PolarHBondContact OG-OE1 2.97Å |
| 446 | V | 88.1 | Confident | 85.3 | Confident | 3 Ų | 3 | 33.9 Ų | 33.9 | 2% | 0.018 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 122.6 | 163.3 | -173.3 | 0 | 0 | 0 | 0 | 108.8 | I438 A439 I459 I460 I467 T482 | I438-V446 HydrophobicContact CG2-CG1 3.42Å; I438-V446 VanDerWaalsContact CG2-CG1 3.42Å; A439-V446 CarbonylContact O-C 3.43Å; A439-V446 WeakPolarHBondContact O-CA 3.37Å; V446-I459 WeakPolarHBondContact O-CA 3.47Å; V446-I460 HydrophobicContact CB-CB 4.26Å; V446-I460 PolarHBondContact N-O 3Å; V446-I460 PolarHBondContact O-N 3.49Å; V446-I467 HydrophobicContact CG2-CD1 3.41Å; V446-I467 VanDerWaalsContact CG2-CD1 3.41Å; V446-T482 HydrophobicContact CG2-CG2 4.25Å |
| 447 | Y | 88.2 | Confident | 84.9 | Confident | 24 Ų | 24 | 34.9 Ų | 34.9 | 9% | 0.094 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 132.3 | 179 | -76.5 | -120.9 | 0 | 0 | 0 | 109.3 | F417 A439 M441 Y449 L456 I459 | F417-Y447 HydrophobicContact CD1-CD1 4.37Å; F417-Y447 HydrophobicContact CD1-CE1 4.41Å; F417-Y447 HydrophobicContact CE1-CD1 4.26Å; F417-Y447 HydrophobicContact CE1-CG 4.35Å; A439-Y447 PolarHBondContact N-O 3.3Å; A439-Y447 PolarHBondContact O-N 3.08Å; M441-Y447 HydrophobicContact CG-CD2 3.55Å; M441-Y447 HydrophobicContact CG-CE2 3.85Å; M441-Y447 HydrophobicContact SD-CD2 4.33Å; Y447-Y449 HydrophobicContact CD1-CE2 4.25Å; Y447-Y449 HydrophobicContact CG-CE2 4.4Å; Y447-L456 HydrophobicContact CD1-CD1 3.76Å; Y447-L456 HydrophobicContact CG-CD1 4.44Å; Y447-I459 HydrophobicContact CD1-CD1 4.08Å; Y447-I459 HydrophobicContact CD1-CG1 3.93Å; Y447-I459 HydrophobicContact CD2-CG1 4.48Å; Y447-I459 HydrophobicContact CD2-CG2 4.1Å; Y447-I459 HydrophobicContact CE1-CD1 3.52Å; Y447-I459 HydrophobicContact CE1-CG1 3.9Å; Y447-I459 HydrophobicContact CE2-CD1 4.33Å; Y447-I459 HydrophobicContact CE2-CG1 4.46Å; Y447-I459 HydrophobicContact CE2-CG2 3.98Å; Y447-I459 HydrophobicContact CG-CG1 4.2Å |
| 448 | I | 89.9 | Confident | 84.6 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 122.1 | 177.3 | -59.6 | -175 | 0 | 0 | 0 | 108.7 | Y436 I438 V457 T458 I460 L480 I494 | Y436-I448 HydrophobicContact CD1-CG2 3.98Å; Y436-I448 HydrophobicContact CG-CG2 4.03Å; I438-I448 HydrophobicContact CG1-CG1 4.37Å; I438-I448 HydrophobicContact CG2-CG1 4.36Å; I448-V457 HydrophobicContact CB-CB 4.45Å; I448-V457 HydrophobicContact CG2-CB 4.13Å; I448-V457 HydrophobicContact CG2-CG2 4.2Å; I448-V457 WeakPolarHBondContact O-CA 3.48Å; I448-V457 VanDerWaalsContact O-CB 3.25Å; I448-V457 WeakPolarHBondContact O-CB 3.38Å; I448-V457 WeakPolarHBondContact O-CG2 3.37Å; I448-V457 PolarHBondContact O-N 3.48Å; I448-T458 HydrophobicContact CB-CG2 3.84Å; I448-T458 HydrophobicContact CD1-CG2 4Å; I448-T458 HydrophobicContact CG1-CG2 4.2Å; I448-T458 HydrophobicContact CG2-CG2 4.46Å; I448-T458 PolarHBondContact N-O 2.9Å; I448-T458 PolarHBondContact O-N 3.47Å; I448-I460 HydrophobicContact CD1-CD1 3.79Å; I448-I460 HydrophobicContact CD1-CG1 4.3Å; I448-L480 HydrophobicContact CD1-CD2 4.42Å; I448-I494 HydrophobicContact CD1-CB 4.47Å; I448-I494 HydrophobicContact CD1-CD1 3.88Å; I448-I494 HydrophobicContact CD1-CG1 3.75Å; I448-I494 HydrophobicContact CD1-CG2 3.93Å |
| 449 | Y | 87.9 | Confident | 84.3 | Confident | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.008 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 149.9 | -179.3 | -68.8 | -91.9 | 0 | 0 | 0 | 111.1 | L415 P416 F417 Y436 L437 Y447 G451 G454 K455 L456 | L415-Y449 HydrophobicContact CD2-CD1 3.82Å; L415-Y449 HydrophobicContact CD2-CE1 4.33Å; L415-Y449 HydrophobicContact CD2-CG 3.95Å; P416-Y449 HydrophobicContact CG-CE1 4.47Å; P416-Y449 PolarHBondContact O-OH 3.47Å; F417-Y449 WeakPolarHBondContact CD1-OH 3.15Å; F417-Y449 HydrophobicContact CE1-CE2 4.15Å; F417-Y449 WeakPolarHBondContact CE1-OH 3.4Å; F417-Y449 HydrophobicContact CE2-CE2 4.39Å; F417-Y449 AromaticContact CZ-CE2 3.81Å; F417-Y449 HydrophobicContact CZ-CE2 3.81Å; F417-Y449 AromaticContact CZ-CZ 3.96Å; F417-Y449 WeakPolarHBondContact CZ-OH 3.46Å; Y436-Y449 CarbonylContact C-O 3.54Å; Y436-Y449 VanDerWaalsContact CA-O 3.23Å; Y436-Y449 WeakPolarHBondContact CA-O 3.41Å; L437-Y449 PolarHBondContact N-O 3.46Å; L437-Y449 PolarHBondContact O-N 3.33Å; Y447-Y449 HydrophobicContact CD1-CE2 4.25Å; Y447-Y449 HydrophobicContact CG-CE2 4.4Å; Y449-G451 PolarHBondContact O-N 3.22Å; Y449-G454 WeakPolarHBondContact CD1-O 3.44Å; Y449-K455 CarbonylContact C-O 3.24Å; Y449-K455 WeakPolarHBondContact CA-O 3.42Å; Y449-L456 HydrophobicContact CD1-CB 4.16Å; Y449-L456 HydrophobicContact CD1-CD1 4.2Å; Y449-L456 HydrophobicContact CD2-CD1 4.44Å; Y449-L456 HydrophobicContact CE1-CB 4.01Å; Y449-L456 HydrophobicContact CE1-CD1 3.91Å; Y449-L456 HydrophobicContact CE2-CD1 4.17Å; Y449-L456 HydrophobicContact CG-CD1 4.46Å |
| 450 | F | 85.6 | Confident | 84.1 | Confident | 64 Ų | 64 | 37 Ų | 37 | 28% | 0.281 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 112.6 | 171.5 | -77.7 | -66 | 0 | 0 | 0 | 110.5 | Y436 H452 S453 G454 K455 V457 | Y436-F450 HydrophobicContact CD1-CD1 4.31Å; Y436-F450 AromaticContact CE1-CD1 3.88Å; Y436-F450 HydrophobicContact CE1-CD1 3.88Å; Y436-F450 AromaticContact CE1-CE1 3.85Å; Y436-F450 HydrophobicContact CE1-CE1 3.85Å; F450-H452 AromaticContact CD1-NE2 3.89Å; F450-H452 AromaticContact CG-NE2 3.93Å; F450-H452 PolarHBondContact O-N 2.82Å; F450-S453 WeakPolarHBondContact CB-OG 3.37Å; F450-S453 PolarHBondContact O-N 3.05Å; F450-G454 PolarHBondContact O-N 3.1Å; F450-K455 HydrophobicContact CD2-CB 4.17Å; F450-K455 PolarHBondContact N-O 3.42Å; F450-V457 HydrophobicContact CB-CG2 4.37Å; F450-V457 HydrophobicContact CD1-CG2 3.88Å; F450-V457 HydrophobicContact CD2-CG2 3.56Å; F450-V457 HydrophobicContact CE1-CG2 4.03Å; F450-V457 HydrophobicContact CE2-CB 4.45Å; F450-V457 HydrophobicContact CE2-CG2 3.72Å; F450-V457 HydrophobicContact CG-CG2 3.65Å; F450-V457 HydrophobicContact CZ-CG1 4.3Å; F450-V457 HydrophobicContact CZ-CG2 3.95Å |
| 451 | G | 82.8 | Confident | 83.7 | Confident | 2 Ų | 2 | 43.1 Ų | 43.1 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -3.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | K389 Q435 Y449 | K389-G451 PolarHBondContact NZ-O 2.81Å; Q435-G451 PolarHBondContact O-N 3.45Å; Y449-G451 PolarHBondContact O-N 3.22Å |
| 452 | H | 79.3 | Confident | 82.8 | Confident | 137 Ų | 137 | 44.9 Ų | 44.9 | 63% | 0.634 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.9 | -11.2 | 175 | 72.2 | 87 | 0 | 0 | 0 | 114.1 | F450 | F450-H452 AromaticContact CD1-NE2 3.89Å; F450-H452 AromaticContact CG-NE2 3.93Å; F450-H452 PolarHBondContact O-N 2.82Å |
| 453 | S | 77 | Confident | 82.6 | Confident | 38 Ų | 38 | 39.4 Ų | 39.4 | 27% | 0.266 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -141.3 | -10.4 | -172.8 | 62.2 | 0 | 0 | 0 | 0 | 115.5 | F450 K455 | F450-S453 WeakPolarHBondContact CB-OG 3.37Å; F450-S453 PolarHBondContact O-N 3.05Å; S453-K455 PolarHBondContact O-N 3.3Å; S453-K455 VanDerWaalsContact O-N 3.16Å |
| 454 | G | 76.8 | Confident | 82.3 | Confident | 5 Ų | 5 | 42 Ų | 42 | 5% | 0.052 | 22% | 0.215 | C | C | . | . | trans | 66.6 | 9.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | L415 P416 Y449 F450 | L415-G454 VanDerWaalsContact CD2-CA 3.45Å; P416-G454 WeakPolarHBondContact CD-O 3.42Å; Y449-G454 WeakPolarHBondContact CD1-O 3.44Å; F450-G454 PolarHBondContact O-N 3.1Å | ||
| 455 | K | 83.6 | Confident | 82.2 | Confident | 146 Ų | 146 | 43.3 Ų | 43.3 | 64% | 0.635 | 23% | 0.228 | S | C | * | . | trans | -76 | 137.5 | 173.5 | -68.8 | -172.7 | 175.9 | -171.3 | 0 | 110.4 | Y449 F450 S453 | Y449-K455 CarbonylContact C-O 3.24Å; Y449-K455 WeakPolarHBondContact CA-O 3.42Å; F450-K455 HydrophobicContact CD2-CB 4.17Å; F450-K455 PolarHBondContact N-O 3.42Å; S453-K455 PolarHBondContact O-N 3.3Å; S453-K455 VanDerWaalsContact O-N 3.16Å | ||
| 456 | L | 85.1 | Confident | 82.2 | Confident | 79 Ų | 79 | 43.9 Ų | 43.9 | 41% | 0.414 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 135.9 | 174.2 | -174.1 | 67 | 0 | 0 | 0 | 110.2 | Y447 Y449 I459 | Y447-L456 HydrophobicContact CD1-CD1 3.76Å; Y447-L456 HydrophobicContact CG-CD1 4.44Å; Y449-L456 HydrophobicContact CD1-CB 4.16Å; Y449-L456 HydrophobicContact CD1-CD1 4.2Å; Y449-L456 HydrophobicContact CD2-CD1 4.44Å; Y449-L456 HydrophobicContact CE1-CB 4.01Å; Y449-L456 HydrophobicContact CE1-CD1 3.91Å; Y449-L456 HydrophobicContact CE2-CD1 4.17Å; Y449-L456 HydrophobicContact CG-CD1 4.46Å; L456-I459 HydrophobicContact CD1-CG1 4.3Å; L456-I459 HydrophobicContact CD2-CD1 4.17Å; L456-I459 HydrophobicContact CD2-CG1 4.14Å |
| 457 | V | 83.5 | Confident | 82.3 | Confident | 30 Ų | 30 | 43.8 Ų | 43.8 | 18% | 0.182 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | -52 | 177.5 | -174.4 | 0 | 0 | 0 | 0 | 110.3 | Y436 I448 F450 R498 | Y436-V457 HydrophobicContact CD1-CG2 4.02Å; Y436-V457 HydrophobicContact CE1-CG2 4.16Å; I448-V457 HydrophobicContact CB-CB 4.45Å; I448-V457 HydrophobicContact CG2-CB 4.13Å; I448-V457 HydrophobicContact CG2-CG2 4.2Å; I448-V457 WeakPolarHBondContact O-CA 3.48Å; I448-V457 VanDerWaalsContact O-CB 3.25Å; I448-V457 WeakPolarHBondContact O-CB 3.38Å; I448-V457 WeakPolarHBondContact O-CG2 3.37Å; I448-V457 PolarHBondContact O-N 3.48Å; F450-V457 HydrophobicContact CB-CG2 4.37Å; F450-V457 HydrophobicContact CD1-CG2 3.88Å; F450-V457 HydrophobicContact CD2-CG2 3.56Å; F450-V457 HydrophobicContact CE1-CG2 4.03Å; F450-V457 HydrophobicContact CE2-CB 4.45Å; F450-V457 HydrophobicContact CE2-CG2 3.72Å; F450-V457 HydrophobicContact CG-CG2 3.65Å; F450-V457 HydrophobicContact CZ-CG1 4.3Å; F450-V457 HydrophobicContact CZ-CG2 3.95Å; V457-R498 HydrophobicContact CG1-CG 4.14Å |
| 458 | T | 84.4 | Confident | 82.2 | Confident | 4 Ų | 4 | 45.8 Ų | 45.8 | 3% | 0.025 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165 | 162 | -173 | -178.7 | 0 | 0 | 0 | 0 | 109.6 | I448 Q501 | I448-T458 HydrophobicContact CB-CG2 3.84Å; I448-T458 HydrophobicContact CD1-CG2 4Å; I448-T458 HydrophobicContact CG1-CG2 4.2Å; I448-T458 HydrophobicContact CG2-CG2 4.46Å; I448-T458 PolarHBondContact N-O 2.9Å; I448-T458 PolarHBondContact O-N 3.47Å; T458-Q501 VanDerWaalsContact OG1-CD 3.25Å; T458-Q501 PolarHBondContact OG1-NE2 3.13Å; T458-Q501 PolarHBondContact OG1-OE1 3.24Å |
| 459 | I | 84.2 | Confident | 82.1 | Confident | 42 Ų | 42 | 45.8 Ų | 45.8 | 22% | 0.215 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 131.7 | 168.2 | -55 | 171.2 | 0 | 0 | 0 | 106.8 | V446 Y447 L456 E461 Q501 | V446-I459 WeakPolarHBondContact O-CA 3.47Å; Y447-I459 HydrophobicContact CD1-CD1 4.08Å; Y447-I459 HydrophobicContact CD1-CG1 3.93Å; Y447-I459 HydrophobicContact CD2-CG1 4.48Å; Y447-I459 HydrophobicContact CD2-CG2 4.1Å; Y447-I459 HydrophobicContact CE1-CD1 3.52Å; Y447-I459 HydrophobicContact CE1-CG1 3.9Å; Y447-I459 HydrophobicContact CE2-CD1 4.33Å; Y447-I459 HydrophobicContact CE2-CG1 4.46Å; Y447-I459 HydrophobicContact CE2-CG2 3.98Å; Y447-I459 HydrophobicContact CG-CG1 4.2Å; L456-I459 HydrophobicContact CD1-CG1 4.3Å; L456-I459 HydrophobicContact CD2-CD1 4.17Å; L456-I459 HydrophobicContact CD2-CG1 4.14Å; I459-E461 HydrophobicContact CG2-CG 3.89Å; I459-Q501 PolarHBondContact O-NE2 3.32Å; I459-Q501 VanDerWaalsContact O-NE2 3.08Å |
| 460 | I | 84.2 | Confident | 82.2 | Confident | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 132.7 | 171.8 | -49 | 179.2 | 0 | 0 | 0 | 107.6 | S445 V446 I448 L480 W492 L497 | S445-I460 CarbonylContact C-O 3.53Å; S445-I460 VanDerWaalsContact CA-O 3.26Å; S445-I460 WeakPolarHBondContact CA-O 3.35Å; V446-I460 HydrophobicContact CB-CB 4.26Å; V446-I460 PolarHBondContact N-O 3Å; V446-I460 PolarHBondContact O-N 3.49Å; I448-I460 HydrophobicContact CD1-CD1 3.79Å; I448-I460 HydrophobicContact CD1-CG1 4.3Å; I460-L480 HydrophobicContact CD1-CD2 4Å; I460-W492 HydrophobicContact CD1-CG 4.49Å; I460-W492 HydrophobicContact CG2-CD2 3.77Å; I460-W492 HydrophobicContact CG2-CE3 3.73Å; I460-W492 HydrophobicContact CG2-CH2 3.39Å; I460-W492 HydrophobicContact CG2-CZ2 3.44Å; I460-W492 VanDerWaalsContact CG2-CZ2 3.44Å; I460-W492 HydrophobicContact CG2-CZ3 3.55Å; I460-L497 HydrophobicContact CD1-CD1 3.44Å; I460-L497 VanDerWaalsContact CD1-CD1 3.44Å; I460-L497 HydrophobicContact CG1-CD1 3.62Å; I460-L497 HydrophobicContact CG1-CD2 4.31Å; I460-L497 HydrophobicContact CG2-CD1 4.48Å; I460-L497 HydrophobicContact CG2-CD2 4.45Å |
| 461 | E | 80.9 | Confident | 82.5 | Confident | 129 Ų | 129 | 43.8 Ų | 43.8 | 60% | 0.603 | 24% | 0.236 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 139 | 174.4 | -51.9 | -162.2 | 136 | 0 | 0 | 108.4 | S445 I459 | S445-E461 WeakPolarHBondContact CB-OE1 3.49Å; S445-E461 PolarHBondContact OG-OE1 2.97Å; I459-E461 HydrophobicContact CG2-CG 3.89Å |
| 462 | G | 67.6 | Low | 82.9 | Confident | 36 Ų | 36 | 44.6 Ų | 44.6 | 37% | 0.371 | 24% | 0.241 | S | C | . | . | trans | 165.2 | -8.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | Q490 | G462-Q490 PolarHBondContact O-NE2 2.99Š| ||
| 463 | H | 78.9 | Confident | 83.1 | Confident | 14 Ų | 14 | 38.6 Ų | 38.6 | 7% | 0.065 | 21% | 0.214 | C | C | . | . | trans | -97.3 | 144.6 | 167.1 | -78.5 | -82.2 | 0 | 0 | 0 | 111.4 | G465 I467 T482 G484 D486 R488 Q490 | H463-G465 PolarHBondContact O-N 3.22Å; H463-I467 HydrophobicContact CB-CD1 3.92Å; H463-I467 HydrophobicContact CB-CG1 3.76Å; H463-T482 WeakPolarHBondContact NE2-CB 3.48Å; H463-T482 PolarHBondContact NE2-OG1 3.14Å; H463-G484 PolarHBondContact CE1-N 3.45Å; H463-D486 VanDerWaalsContact CA-OD2 3.28Å; H463-D486 WeakPolarHBondContact CA-OD2 3.21Å; H463-D486 IonicContact CE1-OD1 2.77Å; H463-D486 IonicContact CG-OD2 2.71Å; H463-D486 IonicContact ND1-OD1 3.16Å; H463-D486 PolarHBondContact ND1-OD1 2.89Å; H463-D486 IonicContact ND1-OD2 2.75Å; H463-D486 PolarHBondContact ND1-OD2 3.18Å; H463-R488 PolarHBondContact CE1-O 3.16Å; H463-Q490 PolarHBondContact CD2-OE1 2.71Å; H463-Q490 VanDerWaalsContact CD2-OE1 3.25Å; H463-Q490 PolarHBondContact NE2-OE1 2.76Å | ||
| 464 | E | 73.5 | Confident | 83.4 | Confident | 119 Ų | 119 | 38.5 Ų | 38.5 | 56% | 0.556 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -93.9 | 81.6 | 176.6 | -84.6 | 155 | -129.9 | 0 | 0 | 110.4 | D486 R488 R523 | E464-D486 HydrophobicContact CB-CB 4.1Å; E464-D486 PolarHBondContact N-OD2 3.31Å; E464-R488 IonicContact OE1-CZ 2.7Å; E464-R488 IonicContact OE1-NH1 3.45Å; E464-R488 PolarHBondContact OE1-NH1 3.05Å; E464-R488 IonicContact OE1-NH2 3.17Å; E464-R488 PolarHBondContact OE1-NH2 3.1Å; E464-R488 IonicContact OE2-CZ 2.7Å; E464-R488 IonicContact OE2-NH2 2.75Å; E464-R488 PolarHBondContact OE2-NH2 2.92Å; E464-R523 IonicContact OE2-NH2 2.67Å |
| 465 | G | 79.2 | Confident | 83.6 | Confident | 31 Ų | 31 | 45 Ų | 45 | 32% | 0.32 | 24% | 0.239 | S | C | . | . | S | Bend | trans | 112.2 | -165.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | G444 H463 | G444-G465 WeakPolarHBondContact CA-O 3.47Å; G444-G465 PolarHBondContact N-O 2.84Å; H463-G465 PolarHBondContact O-N 3.22Å |
| 466 | A | 86.1 | Confident | 83.4 | Confident | 12 Ų | 12 | 40.7 Ų | 40.7 | 10% | 0.099 | 22% | 0.223 | C | C | . | . | trans | -64 | 140 | -168.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | K442 V485 | K442-A466 HydrophobicContact CG-CB 3.96Å; K442-A466 WeakPolarHBondContact O-CA 3.42Å; K442-A466 PolarHBondContact O-N 3.31Å; A466-V485 HydrophobicContact CB-CG2 4.07Å; A466-V485 WeakPolarHBondContact O-CG2 3.3Å; A466-V485 PolarHBondContact O-N 3.3Å | ||
| 467 | I | 88.8 | Confident | 83.3 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 106.7 | 173.5 | -59.9 | 170.4 | 0 | 0 | 0 | 107.7 | C426 S440 M441 V446 H463 V470 | C426-I467 WeakPolarHBondContact CB-O 3.28Å; S440-I467 WeakPolarHBondContact CB-O 3.24Å; S440-I467 PolarHBondContact OG-O 2.9Å; M441-I467 PolarHBondContact O-N 3.46Å; V446-I467 HydrophobicContact CG2-CD1 3.41Å; V446-I467 VanDerWaalsContact CG2-CD1 3.41Å; H463-I467 HydrophobicContact CB-CD1 3.92Å; H463-I467 HydrophobicContact CB-CG1 3.76Å; I467-V470 HydrophobicContact CG2-CG2 3.66Å |
| 468 | H | 87.5 | Confident | 83.3 | Confident | 66 Ų | 66 | 38.7 Ų | 38.7 | 31% | 0.306 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | -18.7 | 177.8 | -75.2 | -75.3 | 0 | 0 | 0 | 113.2 | Y145 L427 | Y145-H468 HydrophobicContact CD1-CB 3.77Å; Y145-H468 AromaticContact CD1-CG 3.97Å; Y145-H468 HydrophobicContact CE1-CB 4.33Å; Y145-H468 AromaticContact CE1-CD2 3.84Å; L427-H468 WeakPolarHBondContact CD2-O 3.34Å |
| 469 | A | 86.6 | Confident | 83.4 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.008 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 124.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | I144 L147 G483 | I144-A469 HydrophobicContact CG2-CB 4.02Å; L147-A469 HydrophobicContact CB-CB 3.65Å; A469-G483 PolarHBondContact N-O 3.29Å; A469-G483 PolarHBondContact O-N 2.8Å |
| 470 | V | 91.2 | Very high | 83.5 | Confident | 9 Ų | 9 | 37.8 Ų | 37.8 | 6% | 0.055 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 136.4 | 176.1 | 179.7 | 0 | 0 | 0 | 0 | 109 | L427 V429 I438 I467 L480 A481 T482 | L427-V470 HydrophobicContact CD2-CB 4.06Å; V429-V470 HydrophobicContact CG2-CB 4.29Å; V429-V470 HydrophobicContact CG2-CG1 4.36Å; I438-V470 HydrophobicContact CG2-CG1 4.22Å; I467-V470 HydrophobicContact CG2-CG2 3.66Å; V470-L480 HydrophobicContact CG1-CD1 3.58Å; V470-L480 HydrophobicContact CG1-CG 4.33Å; V470-A481 WeakPolarHBondContact CA-O 3.22Å; V470-T482 HydrophobicContact CG1-CG2 4.36Å; V470-T482 HydrophobicContact CG2-CG2 4.18Å |
| 471 | S | 90.5 | Very high | 83.7 | Confident | 14 Ų | 14 | 37.6 Ų | 37.6 | 10% | 0.098 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 123.5 | 171.5 | -162.8 | 0 | 0 | 0 | 0 | 110.4 | F149 A481 | F149-S471 WeakPolarHBondContact CE2-O 3.03Å; S471-A481 PolarHBondContact N-O 2.86Å; S471-A481 WeakPolarHBondContact O-CB 3.34Å; S471-A481 PolarHBondContact O-N 3.14Å |
| 472 | P | 91.3 | Very high | 84.1 | Confident | 19 Ų | 19 | 31.5 Ų | 31.5 | 12% | 0.123 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 156.5 | 170.4 | 28.7 | -27.6 | 0 | 0 | 0 | 111 | F149 V429 W430 I438 L480 | F149-P472 WeakPolarHBondContact CD2-O 3.25Å; V429-P472 HydrophobicContact CG1-CG 3.87Å; W430-P472 VanDerWaalsContact O-CG 3.23Å; W430-P472 WeakPolarHBondContact O-CG 3.48Å; I438-P472 HydrophobicContact CD1-CB 4.49Å; P472-L480 HydrophobicContact CB-CD1 4.1Å |
| 473 | S | 84.6 | Confident | 85 | Confident | 11 Ų | 11 | 29.8 Ų | 29.8 | 8% | 0.077 | 16% | 0.159 | C | C | . | . | trans | -68.1 | 133.5 | 176.8 | 167.1 | 0 | 0 | 0 | 0 | 111.5 | F475 D476 I479 | S473-F475 PolarHBondContact O-N 3.46Å; S473-F475 VanDerWaalsContact O-N 3.15Å; S473-F475 PolarHBondContact OG-N 3.31Å; S473-D476 WeakPolarHBondContact CB-O 3.4Å; S473-D476 PolarHBondContact OG-N 3.01Å; S473-D476 VanDerWaalsContact OG-N 3.16Å; S473-I479 PolarHBondContact N-O 3.48Å | ||
| 474 | P | 83.7 | Confident | 85.3 | Confident | 36 Ų | 36 | 29.1 Ų | 29.1 | 23% | 0.234 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -76 | 8.3 | 177.2 | 27.1 | -29.6 | 0 | 0 | 0 | 114.3 | F149 D150 I432 | F149-P474 HydrophobicContact CB-CG 3.92Å; F149-P474 HydrophobicContact CG-CG 4.5Å; D150-P474 WeakPolarHBondContact O-CG 3.47Å; I432-P474 WeakPolarHBondContact CD1-O 3.41Å |
| 475 | F | 79.8 | Confident | 85.7 | Confident | 141 Ų | 141 | 26.3 Ų | 26.3 | 62% | 0.618 | 15% | 0.148 | S | C | * | . | S | Bend | trans | -137.7 | -18.4 | 178.8 | -66.1 | -88.3 | 0 | 0 | 0 | 114.8 | R151 R152 S473 | R151-F475 WeakPolarHBondContact O-CE2 3.46Å; R151-F475 WeakPolarHBondContact O-CZ 3.23Å; R152-F475 VanDerWaalsContact CA-CE2 3.45Å; S473-F475 PolarHBondContact O-N 3.46Å; S473-F475 VanDerWaalsContact O-N 3.15Å; S473-F475 PolarHBondContact OG-N 3.31Å |
| 476 | D | 80.4 | Confident | 85.5 | Confident | 56 Ų | 56 | 26.4 Ų | 26.4 | 30% | 0.299 | 14% | 0.14 | S | C | . | . | trans | -133.4 | 108.7 | 177 | -175.4 | -3.5 | 0 | 0 | 0 | 110.2 | S473 N478 I479 | S473-D476 WeakPolarHBondContact CB-O 3.4Å; S473-D476 PolarHBondContact OG-N 3.01Å; S473-D476 VanDerWaalsContact OG-N 3.16Å; D476-N478 PolarHBondContact O-N 3.07Å; D476-N478 VanDerWaalsContact OD1-CB 3.31Å; D476-N478 WeakPolarHBondContact OD1-CB 3.07Å; D476-N478 PolarHBondContact OD1-N 2.66Å; D476-N478 PolarHBondContact OD1-ND2 3.49Å; D476-I479 HydrophobicContact CB-CB 4.34Å; D476-I479 HydrophobicContact CB-CD1 3.99Å; D476-I479 HydrophobicContact CB-CG1 4.11Å; D476-I479 PolarHBondContact O-N 2.93Å; D476-I479 WeakPolarHBondContact OD2-CD1 3.18Å; D476-I479 WeakPolarHBondContact OD2-CG1 3.14Å | ||
| 477 | E | 82.9 | Confident | 84.8 | Confident | 24 Ų | 24 | 25.9 Ų | 25.9 | 11% | 0.112 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -12.1 | 178.2 | 178.3 | 150.7 | -114.7 | 0 | 0 | 114.1 | S431 I432 H433 Q435 Y436 | S431-E477 VanDerWaalsContact CB-OE1 3.28Å; S431-E477 WeakPolarHBondContact CB-OE1 3.33Å; S431-E477 PolarHBondContact OG-OE1 3.33Å; I432-E477 HydrophobicContact CG2-CB 4.21Å; H433-E477 IonicContact CE1-OE2 2.7Å; H433-E477 IonicContact CG-OE1 3.42Å; H433-E477 IonicContact CG-OE2 2.8Å; H433-E477 PolarHBondContact N-OE1 2.87Å; H433-E477 IonicContact ND1-OE1 3.6Å; H433-E477 IonicContact ND1-OE2 2.77Å; H433-E477 PolarHBondContact ND1-OE2 3.05Å; Q435-E477 VanDerWaalsContact CB-OE1 3.31Å; Q435-E477 WeakPolarHBondContact CB-OE1 3.49Å; Q435-E477 PolarHBondContact OE1-OE2 3.3Å; Y436-E477 HydrophobicContact CD2-CG 3.96Å; Y436-E477 HydrophobicContact CE2-CG 3.83Å |
| 478 | N | 83 | Confident | 84.2 | Confident | 44 Ų | 44 | 27 Ų | 27 | 24% | 0.235 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | -21.3 | 173.7 | -55.1 | -81 | 0 | 0 | 0 | 113.5 | D476 N493 I494 S495 | D476-N478 PolarHBondContact O-N 3.07Å; D476-N478 VanDerWaalsContact OD1-CB 3.31Å; D476-N478 WeakPolarHBondContact OD1-CB 3.07Å; D476-N478 PolarHBondContact OD1-N 2.66Å; D476-N478 PolarHBondContact OD1-ND2 3.49Å; N478-N493 CarbonylContact O-C 3.5Å; N478-N493 WeakPolarHBondContact O-CA 3.47Å; N478-I494 WeakPolarHBondContact O-CG1 3.33Å; N478-I494 PolarHBondContact O-N 3.18Å; N478-S495 VanDerWaalsContact OD1-CB 3.29Å; N478-S495 WeakPolarHBondContact OD1-CB 3.44Å; N478-S495 PolarHBondContact OD1-OG 3.06Å |
| 479 | I | 85.7 | Confident | 84 | Confident | 27 Ų | 27 | 24 Ų | 24 | 14% | 0.138 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 127.5 | -172 | -66.3 | 176.4 | 0 | 0 | 0 | 110.8 | F149 S473 D476 L491 W492 L519 | F149-I479 HydrophobicContact CZ-CG2 4.28Å; S473-I479 PolarHBondContact N-O 3.48Å; D476-I479 HydrophobicContact CB-CB 4.34Å; D476-I479 HydrophobicContact CB-CD1 3.99Å; D476-I479 HydrophobicContact CB-CG1 4.11Å; D476-I479 PolarHBondContact O-N 2.93Å; D476-I479 WeakPolarHBondContact OD2-CD1 3.18Å; D476-I479 WeakPolarHBondContact OD2-CG1 3.14Å; I479-L491 HydrophobicContact CG2-CD1 3.76Å; I479-L491 HydrophobicContact CG2-CD2 4.45Å; I479-L491 HydrophobicContact CG2-CG 4.19Å; I479-W492 WeakPolarHBondContact CA-O 3.35Å; I479-L519 HydrophobicContact CG1-CD1 4.5Å |
| 480 | L | 88.1 | Confident | 83.8 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 131.1 | -178.6 | -177.8 | 65.5 | 0 | 0 | 0 | 111 | I438 I448 I460 V470 P472 T482 L491 W492 I494 | I438-L480 HydrophobicContact CD1-CD1 3.63Å; I438-L480 HydrophobicContact CD1-CD2 4.15Å; I438-L480 HydrophobicContact CD1-CG 4.46Å; I438-L480 HydrophobicContact CG2-CD1 4.4Å; I438-L480 HydrophobicContact CG2-CD2 4.03Å; I448-L480 HydrophobicContact CD1-CD2 4.42Å; I460-L480 HydrophobicContact CD1-CD2 4Å; V470-L480 HydrophobicContact CG1-CD1 3.58Å; V470-L480 HydrophobicContact CG1-CG 4.33Å; P472-L480 HydrophobicContact CB-CD1 4.1Å; L480-T482 HydrophobicContact CD2-CG2 4.33Å; L480-T482 HydrophobicContact CG-CG2 4.25Å; L480-L491 CarbonylContact O-C 3.56Å; L480-L491 WeakPolarHBondContact O-CA 2.93Å; L480-W492 HydrophobicContact CB-CB 4.38Å; L480-W492 PolarHBondContact N-O 2.92Å; L480-W492 VanDerWaalsContact N-O 3.11Å; L480-W492 PolarHBondContact O-N 3.13Å; L480-I494 HydrophobicContact CB-CD1 4.13Å; L480-I494 HydrophobicContact CB-CG1 4.34Å; L480-I494 HydrophobicContact CD2-CD1 4.5Å |
| 481 | A | 88.1 | Confident | 83.5 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 138.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L147 F149 V470 S471 F489 Q490 L491 | L147-A481 HydrophobicContact CD1-CB 4.25Å; L147-A481 HydrophobicContact CD2-CB 3.69Å; F149-A481 HydrophobicContact CE2-CB 3.68Å; F149-A481 HydrophobicContact CZ-CB 4.2Å; V470-A481 WeakPolarHBondContact CA-O 3.22Å; S471-A481 PolarHBondContact N-O 2.86Å; S471-A481 WeakPolarHBondContact O-CB 3.34Å; S471-A481 PolarHBondContact O-N 3.14Å; A481-F489 HydrophobicContact CB-CE2 4.08Å; A481-Q490 WeakPolarHBondContact CA-O 3.3Å; A481-L491 HydrophobicContact CB-CD1 3.84Å |
| 482 | T | 88.5 | Confident | 83.3 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 145.4 | -179.7 | 61.1 | 0 | 0 | 0 | 0 | 111.9 | V446 H463 V470 L480 Q490 W492 | V446-T482 HydrophobicContact CG2-CG2 4.25Å; H463-T482 WeakPolarHBondContact NE2-CB 3.48Å; H463-T482 PolarHBondContact NE2-OG1 3.14Å; V470-T482 HydrophobicContact CG1-CG2 4.36Å; V470-T482 HydrophobicContact CG2-CG2 4.18Å; L480-T482 HydrophobicContact CD2-CG2 4.33Å; L480-T482 HydrophobicContact CG-CG2 4.25Å; T482-Q490 PolarHBondContact N-O 2.94Å; T482-Q490 PolarHBondContact O-N 3.04Å; T482-W492 PolarHBondContact OG1-NE1 3.22Å |
| 483 | G | 87.1 | Confident | 82.8 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 129.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | A469 R488 | A469-G483 PolarHBondContact N-O 3.29Å; A469-G483 PolarHBondContact O-N 2.8Å; G483-R488 WeakPolarHBondContact CA-O 3.35Å |
| 484 | G | 84.2 | Confident | 82.7 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 167 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | I144 H463 D486 G487 R488 | I144-G484 PolarHBondContact N-O 3.15Å; H463-G484 PolarHBondContact CE1-N 3.45Å; G484-D486 VanDerWaalsContact CA-OD1 3.31Å; G484-D486 WeakPolarHBondContact CA-OD1 3.27Å; G484-D486 PolarHBondContact O-N 2.72Å; G484-G487 PolarHBondContact O-N 2.98Å; G484-G487 VanDerWaalsContact O-N 3.08Å; G484-R488 PolarHBondContact N-O 2.61Å; G484-R488 VanDerWaalsContact N-O 3.14Å |
| 485 | V | 83 | Confident | 82.3 | Confident | 61 Ų | 61 | 23.6 Ų | 23.6 | 37% | 0.37 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -21.9 | 169.7 | 171.1 | 0 | 0 | 0 | 0 | 112.1 | A143 A466 G487 | A143-V485 HydrophobicContact CB-CB 4.28Å; A143-V485 HydrophobicContact CB-CG1 4.25Å; A143-V485 HydrophobicContact CB-CG2 4.29Å; A466-V485 HydrophobicContact CB-CG2 4.07Å; A466-V485 WeakPolarHBondContact O-CG2 3.3Å; A466-V485 PolarHBondContact O-N 3.3Å; V485-G487 PolarHBondContact O-N 3.15Å; V485-G487 VanDerWaalsContact O-N 3.11Å |
| 486 | D | 75.3 | Confident | 82 | Confident | 32 Ų | 32 | 17.1 Ų | 17.1 | 17% | 0.171 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | 0.8 | 168.1 | 59.8 | 5.1 | 0 | 0 | 0 | 114.7 | H463 E464 G484 R488 | H463-D486 VanDerWaalsContact CA-OD2 3.28Å; H463-D486 WeakPolarHBondContact CA-OD2 3.21Å; H463-D486 IonicContact CE1-OD1 2.77Å; H463-D486 IonicContact CG-OD2 2.71Å; H463-D486 IonicContact ND1-OD1 3.16Å; H463-D486 PolarHBondContact ND1-OD1 2.89Å; H463-D486 IonicContact ND1-OD2 2.75Å; H463-D486 PolarHBondContact ND1-OD2 3.18Å; E464-D486 HydrophobicContact CB-CB 4.1Å; E464-D486 PolarHBondContact N-OD2 3.31Å; G484-D486 VanDerWaalsContact CA-OD1 3.31Å; G484-D486 WeakPolarHBondContact CA-OD1 3.27Å; G484-D486 PolarHBondContact O-N 2.72Å; D486-R488 HydrophobicContact CB-CG 4.18Å; D486-R488 VanDerWaalsContact CG-CG 3.49Å; D486-R488 PolarHBondContact O-N 3.46Å; D486-R488 WeakPolarHBondContact OD1-CB 3.49Å; D486-R488 PolarHBondContact OD1-N 2.98Å; D486-R488 WeakPolarHBondContact OD2-CD 3.46Å; D486-R488 IonicContact OD2-CZ 3.84Å; D486-R488 IonicContact OD2-NE 3.69Å; D486-R488 PolarHBondContact OD2-NE 3.17Å |
| 487 | G | 70.5 | Confident | 81.5 | Confident | 2 Ų | 2 | 15.1 Ų | 15.1 | 2% | 0.021 | 8% | 0.081 | C | C | . | . | trans | 67.4 | 11.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114 | T142 G484 V485 | T142-G487 WeakPolarHBondContact O-CA 3.34Å; G484-G487 PolarHBondContact O-N 2.98Å; G484-G487 VanDerWaalsContact O-N 3.08Å; V485-G487 PolarHBondContact O-N 3.15Å; V485-G487 VanDerWaalsContact O-N 3.11Å | ||
| 488 | R | 77.3 | Confident | 80.9 | Confident | 24 Ų | 24 | 16 Ų | 16 | 9% | 0.091 | 8% | 0.084 | C | C | . | . | trans | -82.6 | 141.4 | 178.4 | -60.1 | -179.8 | -165.4 | 171.1 | 1 | 110.6 | I144 H463 E464 G483 G484 D486 Q490 Y522 R523 | I144-R488 WeakPolarHBondContact CD1-O 3.31Å; H463-R488 PolarHBondContact CE1-O 3.16Å; E464-R488 IonicContact OE1-CZ 2.7Å; E464-R488 IonicContact OE1-NH1 3.45Å; E464-R488 PolarHBondContact OE1-NH1 3.05Å; E464-R488 IonicContact OE1-NH2 3.17Å; E464-R488 PolarHBondContact OE1-NH2 3.1Å; E464-R488 IonicContact OE2-CZ 2.7Å; E464-R488 IonicContact OE2-NH2 2.75Å; E464-R488 PolarHBondContact OE2-NH2 2.92Å; G483-R488 WeakPolarHBondContact CA-O 3.35Å; G484-R488 PolarHBondContact N-O 2.61Å; G484-R488 VanDerWaalsContact N-O 3.14Å; D486-R488 HydrophobicContact CB-CG 4.18Å; D486-R488 VanDerWaalsContact CG-CG 3.49Å; D486-R488 PolarHBondContact O-N 3.46Å; D486-R488 WeakPolarHBondContact OD1-CB 3.49Å; D486-R488 PolarHBondContact OD1-N 2.98Å; D486-R488 WeakPolarHBondContact OD2-CD 3.46Å; D486-R488 IonicContact OD2-CZ 3.84Å; D486-R488 IonicContact OD2-NE 3.69Å; D486-R488 PolarHBondContact OD2-NE 3.17Å; R488-Q490 HydrophobicContact CB-CG 4.46Å; R488-Y522 WeakPolarHBondContact CA-O 3.14Å; R488-R523 HydrophobicContact CG-CB 4.2Å; R488-R523 HydrophobicContact CG-CG 4.22Å; R488-R523 VanDerWaalsContact NH2-NH1 3.15Å | ||
| 489 | F | 82 | Confident | 79.9 | Confident | 2 Ų | 2 | 21.4 Ų | 21.4 | 1% | 0.009 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 127.7 | 164.2 | 167.6 | -120.2 | 0 | 0 | 0 | 107.9 | I144 L147 V156 T158 W168 A481 H521 Y522 | I144-F489 HydrophobicContact CD1-CB 3.98Å; L147-F489 HydrophobicContact CD1-CD2 3.83Å; L147-F489 HydrophobicContact CD1-CE2 3.92Å; V156-F489 HydrophobicContact CB-CZ 4.28Å; V156-F489 HydrophobicContact CG1-CE2 3.91Å; V156-F489 HydrophobicContact CG1-CZ 4.03Å; T158-F489 HydrophobicContact CG2-CD2 3.9Å; T158-F489 HydrophobicContact CG2-CE2 4.24Å; T158-F489 HydrophobicContact CG2-CG 4.39Å; W168-F489 HydrophobicContact CB-CE1 4.27Å; W168-F489 AromaticContact CD1-CE1 3.97Å; W168-F489 AromaticContact CD2-CD1 3.69Å; W168-F489 HydrophobicContact CD2-CD1 3.69Å; W168-F489 AromaticContact CD2-CE1 3.54Å; W168-F489 HydrophobicContact CD2-CE1 3.54Å; W168-F489 HydrophobicContact CD2-CZ 4.44Å; W168-F489 AromaticContact CE2-CD1 3.51Å; W168-F489 AromaticContact CE2-CE1 3.8Å; W168-F489 AromaticContact CE3-CD1 3.99Å; W168-F489 HydrophobicContact CE3-CD1 3.99Å; W168-F489 AromaticContact CE3-CE1 3.92Å; W168-F489 HydrophobicContact CE3-CE1 3.92Å; W168-F489 HydrophobicContact CG-CD1 4.25Å; W168-F489 AromaticContact CG-CE1 3.69Å; W168-F489 HydrophobicContact CG-CE1 3.69Å; W168-F489 HydrophobicContact CG-CZ 4.16Å; W168-F489 AromaticContact CH2-CD1 3.94Å; W168-F489 HydrophobicContact CH2-CD1 3.94Å; W168-F489 HydrophobicContact CZ2-CB 4.24Å; W168-F489 AromaticContact CZ2-CD1 3.66Å; W168-F489 HydrophobicContact CZ2-CD1 3.66Å; W168-F489 HydrophobicContact CZ2-CE1 4.38Å; W168-F489 HydrophobicContact CZ2-CG 4.2Å; W168-F489 HydrophobicContact CZ3-CD1 4.11Å; W168-F489 HydrophobicContact CZ3-CE1 4.47Å; W168-F489 AromaticContact NE1-CD1 3.96Å; A481-F489 HydrophobicContact CB-CE2 4.08Å; F489-H521 CarbonylContact O-C 3.6Å; F489-H521 WeakPolarHBondContact O-CA 3.37Å; F489-Y522 AromaticContact CD1-CD2 3.82Å; F489-Y522 HydrophobicContact CD1-CD2 3.82Å; F489-Y522 HydrophobicContact CE1-CD2 4.33Å; F489-Y522 PolarHBondContact N-O 2.82Å; F489-Y522 VanDerWaalsContact N-O 3.12Å; F489-Y522 PolarHBondContact O-N 2.93Å |
| 490 | Q | 82.6 | Confident | 78.6 | Confident | 9 Ų | 9 | 25.2 Ų | 25.2 | 4% | 0.042 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 145.4 | -175.1 | -69.1 | 175.5 | -9.6 | 0 | 0 | 110.6 | G462 H463 A481 T482 R488 W492 L518 F520 H521 | G462-Q490 PolarHBondContact O-NE2 2.99Å; H463-Q490 PolarHBondContact CD2-OE1 2.71Å; H463-Q490 VanDerWaalsContact CD2-OE1 3.25Å; H463-Q490 PolarHBondContact NE2-OE1 2.76Å; A481-Q490 WeakPolarHBondContact CA-O 3.3Å; T482-Q490 PolarHBondContact N-O 2.94Å; T482-Q490 PolarHBondContact O-N 3.04Å; R488-Q490 HydrophobicContact CB-CG 4.46Å; Q490-W492 HydrophobicContact CB-CZ2 4.48Å; Q490-L518 HydrophobicContact CB-CD1 4.03Å; Q490-L518 HydrophobicContact CG-CD1 4.28Å; Q490-F520 CarbonylContact C-O 3.6Å; Q490-F520 WeakPolarHBondContact CA-O 3.47Å; Q490-H521 HydrophobicContact CG-CB 3.95Å |
| 491 | L | 85 | Confident | 77.1 | Confident | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 129.3 | 177.1 | -167.4 | 75.1 | 0 | 0 | 0 | 109.5 | F149 I479 L480 A481 L519 F520 | F149-L491 HydrophobicContact CZ-CD1 4.06Å; I479-L491 HydrophobicContact CG2-CD1 3.76Å; I479-L491 HydrophobicContact CG2-CD2 4.45Å; I479-L491 HydrophobicContact CG2-CG 4.19Å; L480-L491 CarbonylContact O-C 3.56Å; L480-L491 WeakPolarHBondContact O-CA 2.93Å; A481-L491 HydrophobicContact CB-CD1 3.84Å; L491-L519 HydrophobicContact CB-CB 4.49Å; L491-L519 HydrophobicContact CD2-CB 4.44Å; L491-L519 HydrophobicContact CD2-CD1 4.2Å; L491-L519 HydrophobicContact CG-CD1 4.32Å; L491-L519 WeakPolarHBondContact O-CA 3.47Å; L491-L519 WeakPolarHBondContact O-CB 3.48Å; L491-L519 PolarHBondContact O-N 3.1Å; L491-F520 HydrophobicContact CB-CB 4.18Å; L491-F520 HydrophobicContact CD2-CD2 4.12Å; L491-F520 PolarHBondContact N-O 3.21Å; L491-F520 PolarHBondContact O-N 2.62Å |
| 492 | W | 85.5 | Confident | 75.5 | Confident | 14 Ų | 14 | 37.3 Ų | 37.3 | 5% | 0.053 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 157.1 | -168.1 | -57.6 | 93.4 | 0 | 0 | 0 | 112.7 | I460 I479 L480 T482 Q490 L497 P517 L518 | I460-W492 HydrophobicContact CD1-CG 4.49Å; I460-W492 HydrophobicContact CG2-CD2 3.77Å; I460-W492 HydrophobicContact CG2-CE3 3.73Å; I460-W492 HydrophobicContact CG2-CH2 3.39Å; I460-W492 HydrophobicContact CG2-CZ2 3.44Å; I460-W492 VanDerWaalsContact CG2-CZ2 3.44Å; I460-W492 HydrophobicContact CG2-CZ3 3.55Å; I479-W492 WeakPolarHBondContact CA-O 3.35Å; L480-W492 HydrophobicContact CB-CB 4.38Å; L480-W492 PolarHBondContact N-O 2.92Å; L480-W492 VanDerWaalsContact N-O 3.11Å; L480-W492 PolarHBondContact O-N 3.13Å; T482-W492 PolarHBondContact OG1-NE1 3.22Å; Q490-W492 HydrophobicContact CB-CZ2 4.48Å; W492-L497 HydrophobicContact CB-CD1 4.36Å; W492-L497 HydrophobicContact CE3-CD1 4.28Å; W492-L497 HydrophobicContact CE3-CD2 4.47Å; W492-P517 WeakPolarHBondContact CA-O 3.34Å; W492-L518 HydrophobicContact CD2-CD1 3.84Å; W492-L518 HydrophobicContact CE3-CB 3.94Å; W492-L518 HydrophobicContact CE3-CD1 3.82Å; W492-L518 HydrophobicContact CE3-CG 4.5Å; W492-L518 HydrophobicContact CH2-CD1 4.03Å; W492-L518 HydrophobicContact CZ2-CD1 4.03Å; W492-L518 HydrophobicContact CZ3-CB 3.84Å; W492-L518 HydrophobicContact CZ3-CD1 3.91Å; W492-L518 HydrophobicContact CZ3-CG 4.39Å |
| 493 | N | 82.8 | Confident | 73.6 | Confident | 27 Ų | 27 | 42.3 Ų | 42.3 | 14% | 0.144 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 109.3 | 166.6 | -176.6 | -34.7 | 0 | 0 | 0 | 110.8 | N478 S495 N496 L497 P517 L519 | N478-N493 CarbonylContact O-C 3.5Å; N478-N493 WeakPolarHBondContact O-CA 3.47Å; N493-S495 VanDerWaalsContact C-N 3.3Å; N493-S495 PolarHBondContact O-N 2.89Å; N493-S495 PolarHBondContact OD1-N 3.37Å; N493-N496 HydrophobicContact CB-CB 4.03Å; N493-N496 VanDerWaalsContact CG-CG 3.5Å; N493-N496 PolarHBondContact ND2-ND2 3Å; N493-N496 PolarHBondContact O-N 2.99Å; N493-N496 PolarHBondContact OD1-N 2.79Å; N493-N496 VanDerWaalsContact OD1-N 3.08Å; N493-L497 PolarHBondContact O-N 2.93Å; N493-P517 PolarHBondContact N-O 3.26Å; N493-L519 HydrophobicContact CB-CD1 4.21Å; N493-L519 HydrophobicContact CB-CD2 4.09Å; N493-L519 HydrophobicContact CB-CG 4.18Å |
| 494 | I | 81.7 | Confident | 71.8 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.3 | -31.6 | -177 | -60.3 | 167.4 | 0 | 0 | 0 | 112.2 | I438 I448 N478 L480 R498 | I438-I494 HydrophobicContact CD1-CD1 4.28Å; I448-I494 HydrophobicContact CD1-CB 4.47Å; I448-I494 HydrophobicContact CD1-CD1 3.88Å; I448-I494 HydrophobicContact CD1-CG1 3.75Å; I448-I494 HydrophobicContact CD1-CG2 3.93Å; N478-I494 WeakPolarHBondContact O-CG1 3.33Å; N478-I494 PolarHBondContact O-N 3.18Å; L480-I494 HydrophobicContact CB-CD1 4.13Å; L480-I494 HydrophobicContact CB-CG1 4.34Å; L480-I494 HydrophobicContact CD2-CD1 4.5Å; I494-R498 PolarHBondContact O-N 2.71Å |
| 495 | S | 75.6 | Confident | 69.9 | Low | 30 Ų | 30 | 56 Ų | 56 | 21% | 0.21 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -75.7 | -34.1 | 176.4 | -83.2 | 0 | 0 | 0 | 0 | 112.9 | N478 N493 R498 R499 | N478-S495 VanDerWaalsContact OD1-CB 3.29Å; N478-S495 WeakPolarHBondContact OD1-CB 3.44Å; N478-S495 PolarHBondContact OD1-OG 3.06Å; N493-S495 VanDerWaalsContact C-N 3.3Å; N493-S495 PolarHBondContact O-N 2.89Å; N493-S495 PolarHBondContact OD1-N 3.37Å; S495-R498 PolarHBondContact O-N 3.45Å; S495-R498 PolarHBondContact OG-NH2 3.45Å; S495-R499 WeakPolarHBondContact O-CG 3.29Å; S495-R499 PolarHBondContact O-N 3.24Å; S495-R499 VanDerWaalsContact O-N 3.13Å |
| 496 | N | 72.5 | Confident | 67.9 | Low | 6 Ų | 6 | 58.9 Ų | 58.9 | 3% | 0.032 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.9 | -43.7 | 173 | -67.5 | -1.2 | 0 | 0 | 0 | 110.7 | N493 R498 R499 F500 D515 K516 | N493-N496 HydrophobicContact CB-CB 4.03Å; N493-N496 VanDerWaalsContact CG-CG 3.5Å; N493-N496 PolarHBondContact ND2-ND2 3Å; N493-N496 PolarHBondContact O-N 2.99Å; N493-N496 PolarHBondContact OD1-N 2.79Å; N493-N496 VanDerWaalsContact OD1-N 3.08Å; N496-R498 VanDerWaalsContact C-N 3.32Å; N496-R498 PolarHBondContact O-N 3.11Å; N496-R499 PolarHBondContact O-N 3.22Å; N496-F500 WeakPolarHBondContact O-CB 3.26Å; N496-F500 PolarHBondContact O-N 2.87Å; N496-D515 WeakPolarHBondContact CB-O 3.48Å; N496-D515 VanDerWaalsContact CG-O 3.3Å; N496-D515 WeakPolarHBondContact ND2-CB 3.43Å; N496-D515 PolarHBondContact ND2-O 2.98Å; N496-D515 VanDerWaalsContact ND2-O 3.13Å; N496-K516 PolarHBondContact ND2-O 3.37Å |
| 497 | L | 70.8 | Confident | 66.1 | Low | 13 Ų | 13 | 61.9 Ų | 61.9 | 7% | 0.068 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -52.3 | -46.6 | 172.4 | -78.7 | 156.7 | 0 | 0 | 0 | 112.6 | I460 W492 N493 F500 Q501 P517 | I460-L497 HydrophobicContact CD1-CD1 3.44Å; I460-L497 VanDerWaalsContact CD1-CD1 3.44Å; I460-L497 HydrophobicContact CG1-CD1 3.62Å; I460-L497 HydrophobicContact CG1-CD2 4.31Å; I460-L497 HydrophobicContact CG2-CD1 4.48Å; I460-L497 HydrophobicContact CG2-CD2 4.45Å; W492-L497 HydrophobicContact CB-CD1 4.36Å; W492-L497 HydrophobicContact CE3-CD1 4.28Å; W492-L497 HydrophobicContact CE3-CD2 4.47Å; N493-L497 PolarHBondContact O-N 2.93Å; L497-F500 PolarHBondContact O-N 2.91Å; L497-Q501 PolarHBondContact O-N 3.41Å; L497-P517 HydrophobicContact CB-CB 4.36Å; L497-P517 HydrophobicContact CD2-CB 3.53Å; L497-P517 HydrophobicContact CD2-CG 4.44Å; L497-P517 HydrophobicContact CG-CB 3.52Å |
| 498 | R | 69.5 | Low | 64.6 | Low | 44 Ų | 44 | 70 Ų | 70 | 17% | 0.166 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.5 | -45.4 | 176.9 | -78.6 | -173.6 | -70.9 | -117.5 | 7.2 | 113.4 | Y436 V457 I494 S495 N496 F500 Q501 Q502 | Y436-R498 PolarHBondContact OH-NH1 3.06Å; Y436-R498 PolarHBondContact OH-NH2 3.48Å; V457-R498 HydrophobicContact CG1-CG 4.14Å; I494-R498 PolarHBondContact O-N 2.71Å; S495-R498 PolarHBondContact O-N 3.45Å; S495-R498 PolarHBondContact OG-NH2 3.45Å; N496-R498 VanDerWaalsContact C-N 3.32Å; N496-R498 PolarHBondContact O-N 3.11Å; R498-F500 VanDerWaalsContact C-N 3.31Å; R498-F500 PolarHBondContact O-N 3.49Å; R498-Q501 PolarHBondContact O-N 3.24Å; R498-Q502 WeakPolarHBondContact O-CB 3.47Å; R498-Q502 WeakPolarHBondContact O-CG 3.44Å; R498-Q502 PolarHBondContact O-N 2.85Å |
| 499 | R | 61.3 | Low | 62.8 | Low | 156 Ų | 156 | 76.1 Ų | 76.1 | 59% | 0.589 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -59.4 | -45.2 | 178.8 | -73.3 | 171.6 | 175.9 | 172.5 | -2.5 | 110.8 | S495 N496 Q501 Q502 N503 | S495-R499 WeakPolarHBondContact O-CG 3.29Å; S495-R499 PolarHBondContact O-N 3.24Å; S495-R499 VanDerWaalsContact O-N 3.13Å; N496-R499 PolarHBondContact O-N 3.22Å; R499-Q501 PolarHBondContact O-N 2.98Å; R499-Q502 PolarHBondContact O-N 3.4Å; R499-N503 PolarHBondContact O-N 3.46Å; R499-N503 VanDerWaalsContact O-N 3.14Å |
| 500 | F | 58.5 | Low | 60.6 | Low | 108 Ų | 108 | 80.4 Ų | 80.4 | 47% | 0.474 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.4 | -39.6 | 178.5 | -161.8 | -99.2 | 0 | 0 | 0 | 112.7 | N496 L497 R498 | N496-F500 WeakPolarHBondContact O-CB 3.26Å; N496-F500 PolarHBondContact O-N 2.87Å; L497-F500 PolarHBondContact O-N 2.91Å; R498-F500 VanDerWaalsContact C-N 3.31Å; R498-F500 PolarHBondContact O-N 3.49Å |
| 501 | Q | 57.2 | Low | 58.5 | Low | 102 Ų | 102 | 88.7 Ų | 88.7 | 48% | 0.477 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -75.9 | -20.9 | 176.5 | -74.8 | -179 | -4.3 | 0 | 0 | 114.4 | T458 I459 L497 R498 R499 | T458-Q501 VanDerWaalsContact OG1-CD 3.25Å; T458-Q501 PolarHBondContact OG1-NE2 3.13Å; T458-Q501 PolarHBondContact OG1-OE1 3.24Å; I459-Q501 PolarHBondContact O-NE2 3.32Å; I459-Q501 VanDerWaalsContact O-NE2 3.08Å; L497-Q501 PolarHBondContact O-N 3.41Å; R498-Q501 PolarHBondContact O-N 3.24Å; R499-Q501 PolarHBondContact O-N 2.98Å |
| 502 | Q | 54.7 | Low | 56.1 | Low | 151 Ų | 151 | 96 Ų | 96 | 71% | 0.706 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -86.5 | -33.9 | 178.5 | -75.3 | -177.7 | -29.2 | 0 | 0 | 113.4 | R498 R499 P504 | R498-Q502 WeakPolarHBondContact O-CB 3.47Å; R498-Q502 WeakPolarHBondContact O-CG 3.44Å; R498-Q502 PolarHBondContact O-N 2.85Å; R499-Q502 PolarHBondContact O-N 3.4Å; Q502-P504 VanDerWaalsContact C-CD 3.48Å; Q502-P504 WeakPolarHBondContact O-CD 3.48Å |
| 503 | N | 47.8 | Very low | 54.1 | Low | 105 Ų | 105 | 100.3 Ų | 100.3 | 56% | 0.561 | 50% | 0.497 | S | S | * | . | trans | -122.6 | 71.2 | 179.7 | -77.3 | -1.4 | 0 | 0 | 0 | 112.4 | R499 Q505 | R499-N503 PolarHBondContact O-N 3.46Å; R499-N503 VanDerWaalsContact O-N 3.14Å; N503-Q505 PolarHBondContact O-N 3.39Å | ||
| 504 | P | 49.3 | Very low | 52.3 | Low | 98 Ų | 98 | 103.2 Ų | 103.2 | 64% | 0.636 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | 3 | 179.6 | 32.9 | -37.8 | 0 | 0 | 0 | 115 | Q502 | Q502-P504 VanDerWaalsContact C-CD 3.48Å; Q502-P504 WeakPolarHBondContact O-CD 3.48Å |
| 505 | Q | 44.4 | Very low | 50.8 | Low | 190 Ų | 190 | 108.1 Ų | 108.1 | 89% | 0.888 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.1 | 13.8 | -166.5 | -82.5 | -176.2 | -44.8 | 0 | 0 | 115.2 | N503 | N503-Q505 PolarHBondContact O-N 3.39Š|
| 506 | H | 41.1 | Very low | 49.7 | Very low | 121 Ų | 121 | 113.5 Ų | 113.5 | 56% | 0.56 | 56% | 0.558 | S | S | * | * | trans | -115 | 11.2 | -170.6 | -140.4 | -47.2 | 0 | 0 | 0 | 115.8 | ||||
| 507 | D | 37 | Very low | 49.1 | Very low | 95 Ų | 95 | 114.6 Ų | 114.6 | 51% | 0.508 | 57% | 0.565 | S | S | . | * | trans | -87.5 | -9 | -163.9 | -85.6 | 0.3 | 0 | 0 | 0 | 116.8 | ||||
| 508 | E | 40.5 | Very low | 48.8 | Very low | 172 Ų | 172 | 116.5 Ų | 116.5 | 80% | 0.804 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -74.3 | -53.2 | -179.2 | -72.4 | -72.1 | 125 | 0 | 0 | 113.1 | ||
| 509 | D | 39.1 | Very low | 48.3 | Very low | 154 Ų | 154 | 116.3 Ų | 116.3 | 82% | 0.824 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -98.8 | -3.1 | -163.6 | -76.6 | -45.6 | 0 | 0 | 0 | 116.3 | ||
| 510 | N | 35.3 | Very low | 48.3 | Very low | 91 Ų | 91 | 111.4 Ų | 111.4 | 49% | 0.487 | 56% | 0.56 | S | S | . | * | trans | -127.4 | 92.6 | -176 | -103.9 | -54.8 | 0 | 0 | 0 | 112.8 | Q512 | N510-Q512 PolarHBondContact O-N 3.09Š| ||
| 511 | H | 37.9 | Very low | 48.8 | Very low | 184 Ų | 184 | 112 Ų | 112 | 85% | 0.852 | 56% | 0.564 | S | S | * | * | trans | -69.4 | 31.8 | 173.6 | -59.2 | -32.9 | 0 | 0 | 0 | 114.9 | S513 | H511-S513 PolarHBondContact O-N 3.46Š| ||
| 512 | Q | 36.5 | Very low | 48.9 | Very low | 154 Ų | 154 | 108.4 Ų | 108.4 | 72% | 0.72 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -84 | 99.3 | 167.7 | -65.5 | -170.3 | 30.7 | 0 | 0 | 108.4 | N510 I514 | N510-Q512 PolarHBondContact O-N 3.09Å; Q512-I514 PolarHBondContact O-N 3.2Å |
| 513 | S | 42.9 | Very low | 49.1 | Very low | 104 Ų | 104 | 107.1 Ų | 107.1 | 73% | 0.727 | 54% | 0.535 | S | S | * | . | trans | -46.1 | 104 | -172.9 | 56 | 0 | 0 | 0 | 0 | 113.7 | H511 D515 | H511-S513 PolarHBondContact O-N 3.46Å; S513-D515 PolarHBondContact O-N 3.3Å | ||
| 514 | I | 43.7 | Very low | 49 | Very low | 88 Ų | 88 | 105.8 Ų | 105.8 | 45% | 0.451 | 52% | 0.524 | S | S | . | . | trans | -73.9 | 110.5 | 165.7 | -59.8 | 177.9 | 0 | 0 | 0 | 106.9 | Q512 K516 | Q512-I514 PolarHBondContact O-N 3.2Å; I514-K516 PolarHBondContact O-N 3.28Å | ||
| 515 | D | 50.5 | Low | 48.5 | Very low | 105 Ų | 105 | 104.9 Ų | 104.9 | 56% | 0.561 | 52% | 0.519 | S | S | * | . | trans | -54 | 130.3 | 178.5 | -70.5 | -50 | 0 | 0 | 0 | 110.8 | N496 S513 | N496-D515 WeakPolarHBondContact CB-O 3.48Å; N496-D515 VanDerWaalsContact CG-O 3.3Å; N496-D515 WeakPolarHBondContact ND2-CB 3.43Å; N496-D515 PolarHBondContact ND2-O 2.98Å; N496-D515 VanDerWaalsContact ND2-O 3.13Å; S513-D515 PolarHBondContact O-N 3.3Å | ||
| 516 | K | 52.1 | Low | 48.3 | Very low | 142 Ų | 142 | 99.2 Ų | 99.2 | 62% | 0.617 | 50% | 0.499 | S | S | * | . | trans | -60.9 | 147.8 | -174.3 | -72.3 | -175.2 | 177.2 | -178.6 | 0 | 111.7 | N496 I514 | N496-K516 PolarHBondContact ND2-O 3.37Å; I514-K516 PolarHBondContact O-N 3.28Å | ||
| 517 | P | 61.1 | Low | 48.1 | Very low | 30 Ų | 30 | 96.1 Ų | 96.1 | 20% | 0.195 | 50% | 0.499 | C | S | . | . | S | Bend | trans | -68 | -35.7 | 179.7 | 23.5 | -32.6 | 0 | 0 | 0 | 113.6 | W492 N493 L497 | W492-P517 WeakPolarHBondContact CA-O 3.34Å; N493-P517 PolarHBondContact N-O 3.26Å; L497-P517 HydrophobicContact CB-CB 4.36Å; L497-P517 HydrophobicContact CD2-CB 3.53Å; L497-P517 HydrophobicContact CD2-CG 4.44Å; L497-P517 HydrophobicContact CG-CB 3.52Å |
| 518 | L | 64.2 | Low | 48 | Very low | 53 Ų | 53 | 100 Ų | 100 | 28% | 0.277 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 119.5 | 173.2 | -178.9 | 66.1 | 0 | 0 | 0 | 108.1 | Q490 W492 F520 H521 | Q490-L518 HydrophobicContact CB-CD1 4.03Å; Q490-L518 HydrophobicContact CG-CD1 4.28Å; W492-L518 HydrophobicContact CD2-CD1 3.84Å; W492-L518 HydrophobicContact CE3-CB 3.94Å; W492-L518 HydrophobicContact CE3-CD1 3.82Å; W492-L518 HydrophobicContact CE3-CG 4.5Å; W492-L518 HydrophobicContact CH2-CD1 4.03Å; W492-L518 HydrophobicContact CZ2-CD1 4.03Å; W492-L518 HydrophobicContact CZ3-CB 3.84Å; W492-L518 HydrophobicContact CZ3-CD1 3.91Å; W492-L518 HydrophobicContact CZ3-CG 4.39Å; L518-F520 WeakPolarHBondContact CD1-O 3.5Å; L518-H521 HydrophobicContact CD2-CB 4.18Å |
| 519 | L | 58.2 | Low | 47.4 | Very low | 39 Ų | 39 | 97.1 Ų | 97.1 | 20% | 0.204 | 51% | 0.509 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | -47.4 | 179.3 | -57.8 | 176.8 | 0 | 0 | 0 | 111 | P176 I479 L491 N493 | P176-L519 HydrophobicContact CG-CD1 4.04Å; P176-L519 HydrophobicContact CG-CD2 4.04Å; P176-L519 HydrophobicContact CG-CG 4.47Å; I479-L519 HydrophobicContact CG1-CD1 4.5Å; L491-L519 HydrophobicContact CB-CB 4.49Å; L491-L519 HydrophobicContact CD2-CB 4.44Å; L491-L519 HydrophobicContact CD2-CD1 4.2Å; L491-L519 HydrophobicContact CG-CD1 4.32Å; L491-L519 WeakPolarHBondContact O-CA 3.47Å; L491-L519 WeakPolarHBondContact O-CB 3.48Å; L491-L519 PolarHBondContact O-N 3.1Å; N493-L519 HydrophobicContact CB-CD1 4.21Å; N493-L519 HydrophobicContact CB-CD2 4.09Å; N493-L519 HydrophobicContact CB-CG 4.18Å |
| 520 | F | 63.1 | Low | 46.8 | Very low | 53 Ų | 53 | 97 Ų | 97 | 23% | 0.232 | 51% | 0.509 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 148.7 | -179.8 | -69.7 | -82.3 | 0 | 0 | 0 | 111.5 | P176 C178 Q490 L491 L518 Y522 | P176-F520 WeakPolarHBondContact O-CE2 3.49Å; P176-F520 WeakPolarHBondContact O-CZ 3.35Å; C178-F520 HydrophobicContact CB-CB 4.29Å; C178-F520 HydrophobicContact CB-CD1 4.27Å; C178-F520 HydrophobicContact CB-CD2 3.74Å; C178-F520 HydrophobicContact CB-CE2 4.26Å; C178-F520 HydrophobicContact CB-CG 3.79Å; Q490-F520 CarbonylContact C-O 3.6Å; Q490-F520 WeakPolarHBondContact CA-O 3.47Å; L491-F520 HydrophobicContact CB-CB 4.18Å; L491-F520 HydrophobicContact CD2-CD2 4.12Å; L491-F520 PolarHBondContact N-O 3.21Å; L491-F520 PolarHBondContact O-N 2.62Å; L518-F520 WeakPolarHBondContact CD1-O 3.5Å; F520-Y522 HydrophobicContact CB-CE2 4.48Å |
| 521 | H | 67.1 | Low | 46.5 | Very low | 122 Ų | 122 | 98.1 Ų | 98.1 | 57% | 0.565 | 51% | 0.514 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 142.6 | 167.7 | 65.4 | 95.7 | 0 | 0 | 0 | 110.9 | F489 Q490 L518 | F489-H521 CarbonylContact O-C 3.6Å; F489-H521 WeakPolarHBondContact O-CA 3.37Å; Q490-H521 HydrophobicContact CG-CB 3.95Å; L518-H521 HydrophobicContact CD2-CB 4.18Å |
| 522 | Y | 60.8 | Low | 46 | Very low | 26 Ų | 26 | 95.3 Ų | 95.3 | 10% | 0.102 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 128.5 | 175.9 | -73.4 | -75.3 | 0 | 0 | 0 | 109.2 | L138 W168 C178 R488 F489 F520 | L138-Y522 HydrophobicContact CB-CD1 3.79Å; L138-Y522 HydrophobicContact CB-CE1 3.88Å; L138-Y522 HydrophobicContact CD1-CD1 4.4Å; L138-Y522 HydrophobicContact CD1-CE1 3.73Å; L138-Y522 HydrophobicContact CG-CE1 4.45Å; W168-Y522 HydrophobicContact CE3-CD2 4.14Å; W168-Y522 HydrophobicContact CE3-CE2 4.03Å; W168-Y522 HydrophobicContact CH2-CD1 4.3Å; W168-Y522 AromaticContact CH2-CD2 3.91Å; W168-Y522 HydrophobicContact CH2-CD2 3.91Å; W168-Y522 AromaticContact CH2-CG 3.78Å; W168-Y522 HydrophobicContact CH2-CG 3.78Å; W168-Y522 AromaticContact CZ3-CD1 3.99Å; W168-Y522 HydrophobicContact CZ3-CD1 3.99Å; W168-Y522 AromaticContact CZ3-CD2 3.48Å; W168-Y522 HydrophobicContact CZ3-CD2 3.48Å; W168-Y522 VanDerWaalsContact CZ3-CD2 3.48Å; W168-Y522 HydrophobicContact CZ3-CE1 4.17Å; W168-Y522 AromaticContact CZ3-CE2 3.64Å; W168-Y522 HydrophobicContact CZ3-CE2 3.64Å; W168-Y522 AromaticContact CZ3-CG 3.65Å; W168-Y522 HydrophobicContact CZ3-CG 3.65Å; W168-Y522 AromaticContact CZ3-CZ 3.98Å; C178-Y522 PolarHBondContact O-OH 2.95Å; R488-Y522 WeakPolarHBondContact CA-O 3.14Å; F489-Y522 AromaticContact CD1-CD2 3.82Å; F489-Y522 HydrophobicContact CD1-CD2 3.82Å; F489-Y522 HydrophobicContact CE1-CD2 4.33Å; F489-Y522 PolarHBondContact N-O 2.82Å; F489-Y522 VanDerWaalsContact N-O 3.12Å; F489-Y522 PolarHBondContact O-N 2.93Å; F520-Y522 HydrophobicContact CB-CE2 4.48Å |
| 523 | R | 57.9 | Low | 45.3 | Very low | 124 Ų | 124 | 95.7 Ų | 95.7 | 47% | 0.468 | 51% | 0.505 | S | S | . | . | trans | -131.9 | 148.3 | 179.7 | -177.3 | -177.1 | -177 | 166.8 | 9.6 | 110.4 | A139 E464 R488 P525 | A139-R523 VanDerWaalsContact CB-O 3.28Å; A139-R523 WeakPolarHBondContact CB-O 3.24Å; E464-R523 IonicContact OE2-NH2 2.67Å; R488-R523 HydrophobicContact CG-CB 4.2Å; R488-R523 HydrophobicContact CG-CG 4.22Å; R488-R523 VanDerWaalsContact NH2-NH1 3.15Å; R523-P525 CarbonylContact O-C 3.6Å | ||
| 524 | F | 46.5 | Very low | 44.4 | Very low | 76 Ų | 76 | 94 Ų | 94 | 33% | 0.333 | 50% | 0.504 | S | S | . | . | S | Bend | trans | -114.1 | 140.9 | 163.2 | -175.1 | -99.3 | 0 | 0 | 0 | 110.8 | I137 A139 H140 R141 | I137-F524 HydrophobicContact CG2-CD2 3.85Å; I137-F524 HydrophobicContact CG2-CE2 3.84Å; A139-F524 HydrophobicContact CB-CB 4.21Å; H140-F524 WeakPolarHBondContact O-CB 3.41Å; R141-F524 HydrophobicContact CB-CD1 4.08Å; R141-F524 HydrophobicContact CB-CE1 4.41Å; R141-F524 HydrophobicContact CG-CD1 3.88Å; R141-F524 HydrophobicContact CG-CD2 4.32Å; R141-F524 HydrophobicContact CG-CE1 4Å; R141-F524 HydrophobicContact CG-CE2 4.44Å; R141-F524 HydrophobicContact CG-CG 4.05Å; R141-F524 HydrophobicContact CG-CZ 4.29Å |
| 525 | P | 38.9 | Very low | 43.5 | Very low | 80 Ų | 80 | 97.1 Ų | 97.1 | 52% | 0.519 | 52% | 0.521 | S | S | . | . | S | Bend | cis | -57.1 | 159.9 | -21.5 | 30.1 | -36.1 | 0 | 0 | 0 | 110.7 | R523 G527 | R523-P525 CarbonylContact O-C 3.6Å; P525-G527 PolarHBondContact O-N 2.72Å |
| 526 | P | 39.4 | Very low | 42.1 | Very low | 71 Ų | 71 | 97.1 Ų | 97.1 | 46% | 0.461 | 52% | 0.524 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 132.8 | 159.9 | 27.6 | -33 | 0 | 0 | 0 | 107.9 | ||
| 527 | G | 37.9 | Very low | 40.6 | Very low | 55 Ų | 55 | 100.8 Ų | 100.8 | 57% | 0.567 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -75 | 166.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | P525 L529 | P525-G527 PolarHBondContact O-N 2.72Å; G527-L529 PolarHBondContact O-N 2.9Å; G527-L529 VanDerWaalsContact O-N 3.17Å |
| 528 | D | 34.6 | Very low | 38.6 | Very low | 177 Ų | 177 | 108.5 Ų | 108.5 | 95% | 0.947 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 121.4 | 174.4 | -62.6 | -51.3 | 0 | 0 | 0 | 109.7 | ||
| 529 | L | 27.1 | Very low | 36.6 | Very low | 111 Ų | 111 | 113.8 Ų | 113.8 | 58% | 0.581 | 58% | 0.581 | S | S | * | * | trans | -105.1 | 80.7 | -167.5 | -167.4 | 83.4 | 0 | 0 | 0 | 109.1 | F135 G527 I531 | F135-L529 HydrophobicContact CD2-CD2 4.19Å; F135-L529 HydrophobicContact CE2-CD2 3.74Å; F135-L529 HydrophobicContact CZ-CD2 4.32Å; G527-L529 PolarHBondContact O-N 2.9Å; G527-L529 VanDerWaalsContact O-N 3.17Å; L529-I531 VanDerWaalsContact O-CG1 3.3Å; L529-I531 WeakPolarHBondContact O-CG1 3.47Å; L529-I531 PolarHBondContact O-N 2.7Å | ||
| 530 | D | 27.4 | Very low | 34.9 | Very low | 153 Ų | 153 | 117.2 Ų | 117.2 | 82% | 0.818 | 60% | 0.599 | S | S | * | * | trans | -65.7 | 116.7 | 174.3 | -99.9 | -38.7 | 0 | 0 | 0 | 110.2 | ||||
| 531 | I | 28.4 | Very low | 32.9 | Very low | 114 Ų | 114 | 121.3 Ų | 121.3 | 59% | 0.585 | 62% | 0.623 | S | S | * | * | trans | -78.5 | -36.2 | -157.6 | -64.8 | 178.2 | 0 | 0 | 0 | 112.9 | L529 E840 | L529-I531 VanDerWaalsContact O-CG1 3.3Å; L529-I531 WeakPolarHBondContact O-CG1 3.47Å; L529-I531 PolarHBondContact O-N 2.7Å; I531-E840 HydrophobicContact CG2-CG 4.45Å | ||
| 532 | I | 28.3 | Very low | 31 | Very low | 125 Ų | 125 | 120.6 Ų | 120.6 | 64% | 0.641 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -90.9 | -23.9 | -154.6 | -48.3 | -170.1 | 0 | 0 | 0 | 113.5 | E840 | I532-E840 WeakPolarHBondContact CD1-OE1 3.49Å; I532-E840 WeakPolarHBondContact CG1-OE1 3.05Å |
| 533 | Q | 22 | Very low | 29.3 | Very low | 162 Ų | 162 | 124.5 Ų | 124.5 | 76% | 0.757 | 66% | 0.658 | S | S | * | * | trans | -131.8 | 109.9 | -175.4 | -63.9 | -170.3 | 10.2 | 0 | 0 | 111.7 | L535 | Q533-L535 VanDerWaalsContact C-N 3.34Å; Q533-L535 PolarHBondContact O-N 2.77Å | ||
| 534 | G | 22.6 | Very low | 27.9 | Very low | 68 Ų | 68 | 126.4 Ų | 126.4 | 70% | 0.701 | 68% | 0.678 | S | S | * | * | trans | -67.9 | 87.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V536 | G534-V536 PolarHBondContact O-N 2.8Š| ||
| 535 | L | 25.3 | Very low | 26.9 | Very low | 154 Ų | 154 | 130.3 Ų | 130.3 | 81% | 0.806 | 70% | 0.702 | S | S | * | * | trans | -51.1 | 100.2 | -175.2 | -92.6 | 160.5 | 0 | 0 | 0 | 113.2 | Q533 | Q533-L535 VanDerWaalsContact C-N 3.34Å; Q533-L535 PolarHBondContact O-N 2.77Å | ||
| 536 | V | 21 | Very low | 26.1 | Very low | 104 Ų | 104 | 134.4 Ų | 134.4 | 63% | 0.63 | 71% | 0.714 | S | S | * | * | trans | -61.1 | 142.5 | 148.2 | 173.2 | 0 | 0 | 0 | 0 | 107.4 | G534 R538 | G534-V536 PolarHBondContact O-N 2.8Å; V536-R538 PolarHBondContact O-N 3.24Å | ||
| 537 | W | 20.1 | Very low | 25.4 | Very low | 220 Ų | 220 | 135.9 Ų | 135.9 | 83% | 0.833 | 72% | 0.724 | S | S | * | * | trans | -66.8 | 86 | 165.2 | -83.9 | 75.9 | 0 | 0 | 0 | 109.3 | F539 | W537-F539 HydrophobicContact CE3-CE2 4.33Å; W537-F539 HydrophobicContact CE3-CZ 4.42Å; W537-F539 PolarHBondContact O-N 3.15Å; W537-F539 VanDerWaalsContact O-N 3.14Å | ||
| 538 | R | 19 | Very low | 24.8 | Very low | 191 Ų | 191 | 140.2 Ų | 140.2 | 72% | 0.721 | 73% | 0.733 | S | S | * | * | trans | -69 | 108.5 | 158.2 | -76.3 | -164.7 | 170.8 | -170.5 | -4.1 | 107.9 | V536 D540 | V536-R538 PolarHBondContact O-N 3.24Å; R538-D540 HydrophobicContact CB-CB 4.36Å; R538-D540 WeakPolarHBondContact CB-OD2 3.4Å; R538-D540 VanDerWaalsContact CD-OD2 3.31Å; R538-D540 WeakPolarHBondContact CD-OD2 3.49Å; R538-D540 PolarHBondContact O-N 3.26Å | ||
| 539 | F | 22.8 | Very low | 24.2 | Very low | 165 Ų | 165 | 142.5 Ų | 142.5 | 72% | 0.724 | 73% | 0.728 | S | S | * | * | trans | -68.3 | 64.5 | 149.4 | -74.7 | -94.3 | 0 | 0 | 0 | 108.1 | W537 N541 | W537-F539 HydrophobicContact CE3-CE2 4.33Å; W537-F539 HydrophobicContact CE3-CZ 4.42Å; W537-F539 PolarHBondContact O-N 3.15Å; W537-F539 VanDerWaalsContact O-N 3.14Å; F539-N541 PolarHBondContact O-N 3.11Å | ||
| 540 | D | 22.3 | Very low | 24 | Very low | 111 Ų | 111 | 142.8 Ų | 142.8 | 59% | 0.594 | 74% | 0.739 | S | S | * | * | trans | -66.9 | 87.1 | 163.6 | -77.5 | -33.3 | 0 | 0 | 0 | 105.7 | R538 P542 | R538-D540 HydrophobicContact CB-CB 4.36Å; R538-D540 WeakPolarHBondContact CB-OD2 3.4Å; R538-D540 VanDerWaalsContact CD-OD2 3.31Å; R538-D540 WeakPolarHBondContact CD-OD2 3.49Å; R538-D540 PolarHBondContact O-N 3.26Å; D540-P542 VanDerWaalsContact O-CD 3.27Å; D540-P542 WeakPolarHBondContact O-CD 3.36Å | ||
| 541 | N | 22.1 | Very low | 23.8 | Very low | 138 Ų | 138 | 138.6 Ų | 138.6 | 74% | 0.738 | 73% | 0.733 | S | S | * | * | trans | -50.8 | 112.1 | 170.9 | -75.3 | -34.7 | 0 | 0 | 0 | 106.7 | F539 | F539-N541 PolarHBondContact O-N 3.11Š| ||
| 542 | P | 26.1 | Very low | 23.6 | Very low | 108 Ų | 108 | 136.4 Ų | 136.4 | 70% | 0.701 | 73% | 0.731 | S | S | * | * | trans | -62.5 | 130.4 | -177.2 | 25.4 | -32.9 | 0 | 0 | 0 | 107.6 | D540 D544 | D540-P542 VanDerWaalsContact O-CD 3.27Å; D540-P542 WeakPolarHBondContact O-CD 3.36Å; P542-D544 PolarHBondContact O-N 2.63Å | ||
| 543 | P | 25.3 | Very low | 23.3 | Very low | 107 Ų | 107 | 133.6 Ų | 133.6 | 70% | 0.695 | 72% | 0.718 | S | S | * | * | trans | -57.8 | 140.4 | -170.7 | 21.3 | -33 | 0 | 0 | 0 | 111.3 | D545 Q546 | P543-D545 PolarHBondContact O-N 3.27Å; P543-Q546 PolarHBondContact O-N 3.49Å | ||
| 544 | D | 27.9 | Very low | 23.3 | Very low | 164 Ų | 164 | 128.6 Ų | 128.6 | 88% | 0.877 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.5 | -14.4 | -166.8 | -71.7 | -66.2 | 0 | 0 | 0 | 115.8 | P542 | P542-D544 PolarHBondContact O-N 2.63Š|
| 545 | D | 26.7 | Very low | 23.2 | Very low | 158 Ų | 158 | 130.5 Ų | 130.5 | 85% | 0.845 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | -7.4 | -177.7 | -80.1 | -50.5 | 0 | 0 | 0 | 115.6 | P543 | P543-D545 PolarHBondContact O-N 3.27Š|
| 546 | Q | 22.8 | Very low | 22.9 | Very low | 166 Ų | 166 | 128.4 Ų | 128.4 | 78% | 0.776 | 69% | 0.69 | S | S | * | * | trans | -132.3 | 71.3 | 175.2 | -67.9 | -158.1 | 28.5 | 0 | 0 | 116.5 | P543 I548 | P543-Q546 PolarHBondContact O-N 3.49Å; Q546-I548 PolarHBondContact O-N 2.89Å | ||
| 547 | P | 23.6 | Very low | 22.9 | Very low | 102 Ų | 102 | 130 Ų | 130 | 66% | 0.662 | 70% | 0.7 | S | S | * | * | trans | -68.4 | 110.6 | 162.1 | 28.7 | -33.5 | 0 | 0 | 0 | 111.2 | W549 | P547-W549 PolarHBondContact O-N 3.26Š| ||
| 548 | I | 25.5 | Very low | 22.9 | Very low | 147 Ų | 147 | 124.1 Ų | 124.1 | 75% | 0.754 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -62.9 | -8 | -178.9 | -71 | 173.3 | 0 | 0 | 0 | 113.5 | Q546 S550 | Q546-I548 PolarHBondContact O-N 2.89Å; I548-S550 PolarHBondContact O-N 2.9Å |
| 549 | W | 22.4 | Very low | 22.9 | Very low | 224 Ų | 224 | 126 Ų | 126 | 85% | 0.848 | 70% | 0.7 | S | S | * | * | trans | -78.7 | 37.3 | 174.6 | -73.7 | 11.3 | 0 | 0 | 0 | 114.5 | P547 G551 A552 | P547-W549 PolarHBondContact O-N 3.26Å; W549-G551 PolarHBondContact O-N 3.04Å; W549-A552 PolarHBondContact O-N 2.65Å; W549-A552 VanDerWaalsContact O-N 3.08Å | ||
| 550 | S | 22.7 | Very low | 22.8 | Very low | 117 Ų | 117 | 130.1 Ų | 130.1 | 82% | 0.818 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | 10.8 | 162.7 | 58 | 0 | 0 | 0 | 0 | 114 | I548 | I548-S550 PolarHBondContact O-N 2.9Š|
| 551 | G | 23.9 | Very low | 22.8 | Very low | 66 Ų | 66 | 131 Ų | 131 | 68% | 0.68 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | -9.4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | W549 N553 | W549-G551 PolarHBondContact O-N 3.04Å; G551-N553 PolarHBondContact O-N 2.66Å |
| 552 | A | 22.2 | Very low | 22.9 | Very low | 67 Ų | 67 | 130.8 Ų | 130.8 | 55% | 0.554 | 72% | 0.723 | S | S | * | * | trans | -74.1 | 117.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | W549 | W549-A552 PolarHBondContact O-N 2.65Å; W549-A552 VanDerWaalsContact O-N 3.08Å | ||
| 553 | N | 22.4 | Very low | 22.6 | Very low | 67 Ų | 67 | 136.7 Ų | 136.7 | 36% | 0.358 | 73% | 0.732 | S | S | . | * | trans | -158.1 | 137.4 | -164.8 | -118.5 | 2.2 | 0 | 0 | 0 | 109.5 | G551 R2309 S2310 A2311 R2312 | G551-N553 PolarHBondContact O-N 2.66Å; N553-R2309 CarbonylContact C-O 3.6Å; N553-S2310 VanDerWaalsContact CB-CA 3.49Å; N553-S2310 WeakPolarHBondContact ND2-CB 3.38Å; N553-A2311 CarbonylContact C-O 3.47Å; N553-A2311 WeakPolarHBondContact CA-O 3.39Å; N553-A2311 WeakPolarHBondContact OD1-CA 3.32Å; N553-A2311 PolarHBondContact OD1-N 3.11Å; N553-A2311 VanDerWaalsContact OD1-N 3.12Å; N553-R2312 WeakPolarHBondContact OD1-CG 3.5Å; N553-R2312 PolarHBondContact OD1-N 3.25Å; N553-R2312 VanDerWaalsContact OD1-N 3.11Å | ||
| 554 | T | 21.8 | Very low | 22.5 | Very low | 56 Ų | 56 | 137.7 Ų | 137.7 | 34% | 0.344 | 73% | 0.731 | S | S | . | * | trans | -28.7 | 129.3 | -169.9 | 53.8 | 0 | 0 | 0 | 0 | 121.8 | T556 R2309 S2310 A2311 | T554-T556 PolarHBondContact O-N 3.28Å; T554-R2309 CarbonylContact O-C 2.74Å; T554-R2309 VanDerWaalsContact O-CA 3.28Å; T554-R2309 WeakPolarHBondContact O-CA 3.5Å; T554-R2309 PolarHBondContact O-N 3.46Å; T554-R2309 VanDerWaalsContact O-N 3.1Å; T554-S2310 VanDerWaalsContact N-CA 3.34Å; T554-S2310 PolarHBondContact O-N 2.99Å; T554-S2310 WeakPolarHBondContact OG1-CA 3.24Å; T554-S2310 PolarHBondContact OG1-N 3.43Å; T554-A2311 HydrophobicContact CG2-CB 3.85Å; T554-A2311 VanDerWaalsContact CG2-O 3.3Å; T554-A2311 WeakPolarHBondContact CG2-O 3.46Å; T554-A2311 PolarHBondContact N-O 3.24Å; T554-A2311 PolarHBondContact OG1-N 2.77Å | ||
| 555 | T | 21.8 | Very low | 22.3 | Very low | 109 Ų | 109 | 135.5 Ų | 135.5 | 67% | 0.669 | 72% | 0.72 | S | S | * | * | 12 | 96.1 | 113.8 | 53.3 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 556 | T | 19.3 | Very low | 22.1 | Very low | 110 Ų | 110 | 135.3 Ų | 135.3 | 68% | 0.675 | 72% | 0.718 | S | S | * | * | 34 | 98.7 | 127.3 | 54.4 | 0 | 0 | 0 | 0 | 118.7 | T554 R2308 | T554-T556 PolarHBondContact O-N 3.28Å; T556-R2308 WeakPolarHBondContact CA-O 3.43Å; T556-R2308 PolarHBondContact N-O 3.14Å | |||
| 557 | V | 20.6 | Very low | 22 | Very low | 137 Ų | 137 | 135.1 Ų | 135.1 | 83% | 0.83 | 72% | 0.717 | S | S | * | * | trans | -134.4 | 125.3 | 148.8 | 178.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 558 | S | 20.2 | Very low | 21.9 | Very low | 97 Ų | 97 | 137.4 Ų | 137.4 | 68% | 0.678 | 72% | 0.723 | S | S | * | * | trans | -98.1 | 155.7 | 179.8 | -170.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 559 | R | 18.7 | Very low | 21.6 | Very low | 231 Ų | 231 | 135.2 Ų | 135.2 | 87% | 0.872 | 72% | 0.721 | S | S | * | * | trans | 42.4 | 120.9 | 170.5 | -68.2 | -178.7 | 179 | 179.5 | 1.1 | 118.1 | ||||
| 560 | R | 20.1 | Very low | 21.7 | Very low | 251 Ų | 251 | 129.4 Ų | 129.4 | 95% | 0.947 | 72% | 0.72 | S | S | * | * | -154.3 | 159.4 | 108.9 | -110.6 | 169 | -167.1 | -173.4 | 3.9 | 112.5 | |||||
| 561 | T | 22 | Very low | 21.8 | Very low | 129 Ų | 129 | 128.6 Ų | 128.6 | 79% | 0.791 | 71% | 0.714 | S | S | * | * | trans | -122.3 | 109.6 | -163.7 | 46.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 562 | T | 24.9 | Very low | 21.7 | Very low | 133 Ų | 133 | 132.3 Ų | 132.3 | 82% | 0.816 | 72% | 0.718 | S | S | * | * | trans | -156 | 107.9 | 159.1 | 43.5 | 0 | 0 | 0 | 0 | 103.9 | ||||
| 563 | R | 19.4 | Very low | 21.8 | Very low | 233 Ų | 233 | 134.9 Ų | 134.9 | 88% | 0.879 | 73% | 0.73 | S | S | * | * | 49.4 | 89 | 54.4 | -162.7 | 176.7 | -170.4 | 142.4 | 4.2 | 110.6 | |||||
| 564 | D | 24.4 | Very low | 22 | Very low | 128 Ų | 128 | 137 Ų | 137 | 68% | 0.684 | 75% | 0.749 | S | S | * | * | -165.1 | 143.4 | 119 | -102.8 | -2.3 | 0 | 0 | 0 | 115.1 | |||||
| 565 | N | 22.7 | Very low | 22.1 | Very low | 118 Ų | 118 | 141 Ų | 141 | 63% | 0.631 | 77% | 0.769 | S | S | * | * | trans | 48.5 | 105 | 142.2 | -59.9 | -41.6 | 0 | 0 | 0 | 123.5 | ||||
| 566 | L | 22.2 | Very low | 22.2 | Very low | 154 Ų | 154 | 145 Ų | 145 | 81% | 0.806 | 78% | 0.78 | S | S | * | * | 76.9 | 165.3 | 118.9 | -67.9 | 170.2 | 0 | 0 | 0 | 121.1 | |||||
| 567 | Q | 22.2 | Very low | 22.3 | Very low | 162 Ų | 162 | 147.6 Ų | 147.6 | 76% | 0.757 | 79% | 0.788 | S | S | * | * | trans | 80.3 | 116.3 | 169.1 | -51.4 | -157.1 | 3.1 | 0 | 0 | 115.2 | ||||
| 568 | L | 20.6 | Very low | 22.3 | Very low | 150 Ų | 150 | 148.2 Ų | 148.2 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | 72.7 | 139.7 | 98.2 | -65 | 173.7 | 0 | 0 | 0 | 112.6 | |||||
| 569 | S | 19.7 | Very low | 22.4 | Very low | 101 Ų | 101 | 150.2 Ų | 150.2 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | cis | -162.5 | 179.6 | -12.3 | 43.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 570 | A | 24 | Very low | 22.5 | Very low | 101 Ų | 101 | 147.2 Ų | 147.2 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | trans | -73.5 | 134.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 571 | S | 24.4 | Very low | 22.6 | Very low | 100 Ų | 100 | 143.6 Ų | 143.6 | 70% | 0.699 | 79% | 0.787 | S | S | * | * | trans | -179.1 | 142 | 162.7 | 57.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 572 | D | 22.1 | Very low | 22.6 | Very low | 144 Ų | 144 | 143 Ų | 143 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | cis | -161.8 | 147.9 | -26.6 | -101.5 | -44.8 | 0 | 0 | 0 | 105.8 | S574 | D572-S574 PolarHBondContact O-N 3.5Š| ||
| 573 | P | 24.7 | Very low | 22.5 | Very low | 122 Ų | 122 | 143.2 Ų | 143.2 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | trans | -75.9 | 109.8 | 177.8 | 29.9 | -32.3 | 0 | 0 | 0 | 110.8 | N575 | P573-N575 PolarHBondContact O-N 3.41Š| ||
| 574 | S | 26.8 | Very low | 22.7 | Very low | 110 Ų | 110 | 139.9 Ų | 139.9 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | trans | -72.1 | 113.5 | -179 | 59.1 | 0 | 0 | 0 | 0 | 112.8 | D572 | D572-S574 PolarHBondContact O-N 3.5Š| ||
| 575 | N | 22.6 | Very low | 22.6 | Very low | 142 Ų | 142 | 138.1 Ų | 138.1 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | trans | 19.5 | 117.1 | 142.8 | -57.8 | -25.1 | 0 | 0 | 0 | 118.1 | P573 | P573-N575 PolarHBondContact O-N 3.41Š| ||
| 576 | H | 25.5 | Very low | 22.6 | Very low | 193 Ų | 193 | 138.7 Ų | 138.7 | 89% | 0.894 | 79% | 0.79 | S | S | * | * | -170.8 | 85.9 | 129.1 | -94.6 | -56.8 | 0 | 0 | 0 | 111.3 | |||||
| 577 | I | 20 | Very low | 22.7 | Very low | 164 Ų | 164 | 138.8 Ų | 138.8 | 84% | 0.841 | 79% | 0.791 | S | S | * | * | trans | -158.2 | 132.2 | 145 | -96.6 | 147.6 | 0 | 0 | 0 | 105.4 | ||||
| 578 | I | 22.1 | Very low | 22.6 | Very low | 150 Ų | 150 | 138.5 Ų | 138.5 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | -134.3 | 153.1 | 173.5 | -73.6 | -179.9 | 0 | 0 | 0 | 106.5 | ||||
| 579 | D | 20.9 | Very low | 22.6 | Very low | 139 Ų | 139 | 137.4 Ų | 137.4 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | trans | 72 | 151.8 | -178.2 | -60.7 | -32.6 | 0 | 0 | 0 | 117.5 | ||||
| 580 | L | 21.4 | Very low | 22.6 | Very low | 168 Ų | 168 | 141.4 Ų | 141.4 | 88% | 0.88 | 80% | 0.798 | S | S | * | * | trans | 67.3 | 71.4 | -176.2 | -54.3 | 179.7 | 0 | 0 | 0 | 116.6 | ||||
| 581 | L | 22.3 | Very low | 22.4 | Very low | 174 Ų | 174 | 140.8 Ų | 140.8 | 91% | 0.911 | 79% | 0.788 | S | S | * | * | -169.7 | 134.7 | 119.9 | -102.6 | 168.7 | 0 | 0 | 0 | 111.6 | |||||
| 582 | T | 22.8 | Very low | 22.2 | Very low | 117 Ų | 117 | 140.5 Ų | 140.5 | 72% | 0.718 | 79% | 0.785 | S | S | * | * | trans | -133.8 | 134.7 | 170.6 | 49.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 583 | D | 22.9 | Very low | 22.2 | Very low | 137 Ų | 137 | 138.4 Ų | 138.4 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | trans | 49.2 | 117.8 | 157.8 | -45.3 | -31.4 | 0 | 0 | 0 | 118 | ||||
| 584 | N | 23.2 | Very low | 22.1 | Very low | 164 Ų | 164 | 140.5 Ų | 140.5 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | cis | -153.7 | 158.6 | 48.5 | -84.9 | -89.9 | 0 | 0 | 0 | 113.3 | ||||
| 585 | A | 21.4 | Very low | 21.7 | Very low | 90 Ų | 90 | 141.9 Ų | 141.9 | 74% | 0.744 | 79% | 0.786 | S | S | * | * | trans | -98.1 | 159.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 586 | T | 22.5 | Very low | 21.6 | Very low | 131 Ų | 131 | 145.9 Ų | 145.9 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | -164.3 | 156.9 | 148.3 | 1.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 587 | N | 24.1 | Very low | 21.4 | Very low | 155 Ų | 155 | 140.6 Ų | 140.6 | 83% | 0.829 | 78% | 0.782 | S | S | * | * | trans | 74.2 | 94.4 | 161.3 | -58.9 | -16.3 | 0 | 0 | 0 | 119.3 | ||||
| 588 | I | 20.3 | Very low | 21.5 | Very low | 156 Ų | 156 | 140 Ų | 140 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | trans | -87.2 | 144.2 | 161.3 | -61.8 | 152.2 | 0 | 0 | 0 | 109.4 | ||||
| 589 | T | 20.8 | Very low | 21.4 | Very low | 128 Ų | 128 | 139.4 Ų | 139.4 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | -162.9 | 123.7 | 149.9 | 14.7 | 0 | 0 | 0 | 0 | 115 | ||||
| 590 | F | 20.7 | Very low | 21.3 | Very low | 185 Ų | 185 | 138.2 Ų | 138.2 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | trans | 12.1 | 159.4 | 139.1 | -62.8 | -94.1 | 0 | 0 | 0 | 122.7 | ||||
| 591 | S | 19.6 | Very low | 21.2 | Very low | 88 Ų | 88 | 134.8 Ų | 134.8 | 62% | 0.615 | 77% | 0.771 | S | S | * | * | cis | -178.9 | 174.6 | -24.6 | 60.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 592 | S | 20.4 | Very low | 21.1 | Very low | 93 Ų | 93 | 131.4 Ų | 131.4 | 65% | 0.65 | 76% | 0.762 | S | S | * | * | trans | 45.1 | 113 | 150.7 | 56.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 593 | S | 21 | Very low | 21.1 | Very low | 101 Ų | 101 | 134.8 Ų | 134.8 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | 67.1 | 113.8 | 63.4 | 78.3 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 594 | N | 23 | Very low | 20.9 | Very low | 166 Ų | 166 | 138.8 Ų | 138.8 | 89% | 0.888 | 77% | 0.774 | S | S | * | * | trans | -175.6 | 160.3 | 134.2 | -99.3 | -27.2 | 0 | 0 | 0 | 114.1 | ||||
| 595 | N | 19.1 | Very low | 20.7 | Very low | 139 Ų | 139 | 136.7 Ų | 136.7 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | trans | -103.8 | 160 | 175.9 | -66.1 | -57.7 | 0 | 0 | 0 | 111.5 | ||||
| 596 | Y | 19.2 | Very low | 20.7 | Very low | 225 Ų | 225 | 139.6 Ų | 139.6 | 88% | 0.882 | 77% | 0.769 | S | S | * | * | 151.8 | 150.9 | 121.9 | -94.8 | -76.3 | 0 | 0 | 0 | 114.8 | |||||
| 597 | A | 21.9 | Very low | 20.6 | Very low | 83 Ų | 83 | 139 Ų | 139 | 69% | 0.686 | 77% | 0.766 | S | S | * | * | trans | 66.3 | 158.1 | 152 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 598 | N | 21.1 | Very low | 20.5 | Very low | 150 Ų | 150 | 140.4 Ų | 140.4 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | cis | -156.6 | 166.8 | -38.3 | -120 | -19.6 | 0 | 0 | 0 | 110.8 | ||||
| 599 | N | 20.2 | Very low | 20.5 | Very low | 138 Ų | 138 | 137.9 Ų | 137.9 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | trans | -26.3 | 160 | 174.6 | -65.2 | -33 | 0 | 0 | 0 | 121.5 | ||||
| 600 | S | 19.9 | Very low | 20.4 | Very low | 115 Ų | 115 | 143.2 Ų | 143.2 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | 76 | 158.3 | 149.3 | 78.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 601 | S | 19.7 | Very low | 20.5 | Very low | 95 Ų | 95 | 139.1 Ų | 139.1 | 66% | 0.664 | 76% | 0.764 | S | S | * | * | cis | -168.1 | 139 | -32.4 | 51.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 602 | S | 19.4 | Very low | 20.6 | Very low | 103 Ų | 103 | 143.6 Ų | 143.6 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | trans | 37 | 99.3 | 149.8 | 61.5 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 603 | H | 23.7 | Very low | 20.6 | Very low | 188 Ų | 188 | 147.7 Ų | 147.7 | 87% | 0.87 | 79% | 0.788 | S | S | * | * | trans | -151.7 | 115.3 | 142.2 | -95.5 | -88.8 | 0 | 0 | 0 | 107 | ||||
| 604 | R | 18 | Very low | 20.6 | Very low | 222 Ų | 222 | 149.6 Ų | 149.6 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | 71.5 | 122 | 67.3 | -111.3 | -167.2 | -177.5 | -174.9 | 2 | 116 | |||||
| 605 | T | 18.4 | Very low | 20.5 | Very low | 120 Ų | 120 | 150.8 Ų | 150.8 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | trans | 75.3 | 154.3 | 149.7 | 47.2 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 606 | L | 20.8 | Very low | 20.7 | Very low | 150 Ų | 150 | 149.8 Ų | 149.8 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | 86.4 | 120.4 | 170.4 | -54.4 | 179.6 | 0 | 0 | 0 | 117.4 | ||||
| 607 | T | 20.5 | Very low | 20.7 | Very low | 119 Ų | 119 | 144.1 Ų | 144.1 | 73% | 0.73 | 79% | 0.79 | S | S | * | * | trans | 50.2 | 143.2 | 131.8 | 60.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 608 | E | 23.8 | Very low | 20.6 | Very low | 185 Ų | 185 | 145.7 Ų | 145.7 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | cis | -153.1 | 180 | 23.2 | -147.9 | 163.1 | -130.2 | 0 | 0 | 112.5 | ||||
| 609 | S | 19.3 | Very low | 20.5 | Very low | 103 Ų | 103 | 150.7 Ų | 150.7 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | trans | -116.3 | 130.5 | -173.7 | 60.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 610 | R | 19.5 | Very low | 20.4 | Very low | 240 Ų | 240 | 149.2 Ų | 149.2 | 91% | 0.906 | 79% | 0.794 | S | S | * | * | trans | -170.8 | 147.4 | 136.4 | -112.1 | 165.1 | 178.4 | 173.7 | -1.3 | 116.2 | ||||
| 611 | S | 22 | Very low | 20.4 | Very low | 98 Ų | 98 | 149.9 Ų | 149.9 | 69% | 0.685 | 80% | 0.799 | S | S | * | * | trans | 46.5 | 97.9 | 153.4 | 55.2 | 0 | 0 | 0 | 0 | 121 | ||||
| 612 | Q | 21.6 | Very low | 20.4 | Very low | 183 Ų | 183 | 150.2 Ų | 150.2 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | 51.6 | 96.9 | 123.3 | -63.2 | -179.9 | -1.6 | 0 | 0 | 119.5 | |||||
| 613 | L | 19.9 | Very low | 20.5 | Very low | 178 Ų | 178 | 153.6 Ų | 153.6 | 93% | 0.932 | 81% | 0.81 | S | S | * | * | -154.8 | 85.7 | 113.5 | -111.3 | 168.6 | 0 | 0 | 0 | 109.4 | |||||
| 614 | N | 21.4 | Very low | 20.7 | Very low | 141 Ų | 141 | 149.5 Ų | 149.5 | 75% | 0.754 | 80% | 0.803 | S | S | * | * | trans | -86.9 | 118.5 | 178.9 | -75.5 | -16.6 | 0 | 0 | 0 | 110.3 | ||||
| 615 | H | 21.9 | Very low | 21.1 | Very low | 192 Ų | 192 | 146 Ų | 146 | 89% | 0.889 | 80% | 0.801 | S | S | * | * | -157.6 | 128.1 | 113.2 | -104.8 | -70.8 | 0 | 0 | 0 | 110.3 | |||||
| 616 | T | 22.2 | Very low | 21.7 | Very low | 117 Ų | 117 | 145.9 Ų | 145.9 | 72% | 0.718 | 80% | 0.8 | S | S | * | * | trans | -94.2 | 142 | -169.5 | 44.8 | 0 | 0 | 0 | 0 | 112.6 | T618 | T616-T618 PolarHBondContact O-N 3.09Š| ||
| 617 | A | 20 | Very low | 22.5 | Very low | 107 Ų | 107 | 146 Ų | 146 | 88% | 0.884 | 79% | 0.794 | S | S | * | * | trans | -68.6 | 111.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 618 | T | 19.2 | Very low | 23.2 | Very low | 115 Ų | 115 | 146.1 Ų | 146.1 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | trans | -88.5 | 110.8 | 170.5 | 42.8 | 0 | 0 | 0 | 0 | 111.3 | T616 T620 | T616-T618 PolarHBondContact O-N 3.09Å; T618-T620 PolarHBondContact O-N 3.5Å; T618-T620 VanDerWaalsContact O-N 3.11Å | ||
| 619 | R | 18.4 | Very low | 24 | Very low | 255 Ų | 255 | 139.9 Ų | 139.9 | 96% | 0.962 | 76% | 0.759 | S | S | * | * | trans | -66.4 | 102.5 | 163.9 | -80.8 | 177 | 163 | 179.2 | -4 | 110.2 | ||||
| 620 | T | 18.4 | Very low | 25 | Very low | 107 Ų | 107 | 139.1 Ų | 139.1 | 66% | 0.656 | 74% | 0.74 | S | S | * | * | trans | -117.4 | 119.4 | 159.4 | 49 | 0 | 0 | 0 | 0 | 110.1 | T618 S622 | T618-T620 PolarHBondContact O-N 3.5Å; T618-T620 VanDerWaalsContact O-N 3.11Å; T620-S622 PolarHBondContact O-N 2.81Å | ||
| 621 | S | 19.4 | Very low | 26.1 | Very low | 130 Ų | 130 | 127.9 Ų | 127.9 | 91% | 0.909 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -80 | 74.8 | -167.5 | 55.3 | 0 | 0 | 0 | 0 | 113.4 | ||
| 622 | S | 19.6 | Very low | 27 | Very low | 101 Ų | 101 | 125.2 Ų | 125.2 | 71% | 0.706 | 68% | 0.678 | S | S | * | * | trans | -158.5 | 38.9 | 171.8 | 66.6 | 0 | 0 | 0 | 0 | 115.8 | T620 S624 | T620-S622 PolarHBondContact O-N 2.81Å; S622-S624 PolarHBondContact O-N 3.31Å | ||
| 623 | L | 23.4 | Very low | 27.8 | Very low | 174 Ų | 174 | 117.8 Ų | 117.8 | 91% | 0.911 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 126.1 | 164.9 | -92.5 | 84.1 | 0 | 0 | 0 | 109.1 | ||
| 624 | S | 27 | Very low | 28.8 | Very low | 102 Ų | 102 | 110 Ų | 110 | 71% | 0.713 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 152.4 | -161.6 | 75.4 | 0 | 0 | 0 | 0 | 113 | S622 T626 | S622-S624 PolarHBondContact O-N 3.31Å; S624-T626 PolarHBondContact O-N 3.21Å; S624-T626 VanDerWaalsContact O-N 3.13Å |
| 625 | N | 26.2 | Very low | 29.5 | Very low | 148 Ų | 148 | 109.7 Ų | 109.7 | 79% | 0.791 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -50 | 119.2 | 177.7 | -64.4 | -98.1 | 0 | 0 | 0 | 111.3 | K627 | N625-K627 PolarHBondContact O-N 3.02Š|
| 626 | T | 30.8 | Very low | 30.2 | Very low | 118 Ų | 118 | 102.6 Ų | 102.6 | 72% | 0.724 | 57% | 0.566 | S | S | * | * | trans | -59.1 | 107.5 | 169 | 40.1 | 0 | 0 | 0 | 0 | 109.6 | S624 M628 | S624-T626 PolarHBondContact O-N 3.21Å; S624-T626 VanDerWaalsContact O-N 3.13Å; T626-M628 PolarHBondContact O-N 2.66Å; T626-M628 VanDerWaalsContact O-N 3.15Å | ||
| 627 | K | 37.6 | Very low | 30.8 | Very low | 153 Ų | 153 | 99.8 Ų | 99.8 | 67% | 0.665 | 55% | 0.546 | S | S | * | . | trans | -85.1 | 86.1 | -177.8 | -71.2 | 176.5 | -171.7 | 160.4 | 0 | 110.3 | N625 Q629 W693 | N625-K627 PolarHBondContact O-N 3.02Å; K627-Q629 PolarHBondContact O-N 3.38Å; K627-W693 PolarHBondContact O-NE1 3.38Å | ||
| 628 | M | 35.6 | Very low | 31.5 | Very low | 122 Ų | 122 | 97.9 Ų | 97.9 | 60% | 0.601 | 53% | 0.525 | S | S | * | . | trans | -49.4 | 127.8 | 160 | -73.4 | 176.9 | 167.1 | 0 | 0 | 109.8 | T626 E692 | T626-M628 PolarHBondContact O-N 2.66Å; T626-M628 VanDerWaalsContact O-N 3.15Å; M628-E692 HydrophobicContact CE-CG 3.99Å; M628-E692 WeakPolarHBondContact CE-OE1 3.17Å | ||
| 629 | Q | 40.2 | Very low | 32.3 | Very low | 53 Ų | 53 | 94.8 Ų | 94.8 | 25% | 0.248 | 51% | 0.506 | C | S | . | . | trans | -135.9 | 142 | 170.3 | -64.7 | -157.7 | 0.8 | 0 | 0 | 108.8 | K627 I631 T649 S651 | K627-Q629 PolarHBondContact O-N 3.38Å; Q629-I631 PolarHBondContact O-N 3.33Å; Q629-T649 HydrophobicContact CB-CG2 4.41Å; Q629-T649 PolarHBondContact OE1-OG1 3.14Å; Q629-S651 PolarHBondContact NE2-OG 2.74Å; Q629-S651 VanDerWaalsContact NE2-OG 3.07Å; Q629-S651 PolarHBondContact OE1-OG 2.69Å | ||
| 630 | R | 40.2 | Very low | 33 | Very low | 87 Ų | 87 | 89.7 Ų | 89.7 | 33% | 0.328 | 50% | 0.496 | S | S | . | . | trans | -68.6 | 128.5 | 169.9 | -170.8 | -164.8 | -172 | 83.9 | 4.4 | 108.7 | T632 E687 D689 | R630-T632 PolarHBondContact O-N 3.14Å; R630-E687 IonicContact CZ-OE2 2.73Å; R630-E687 IonicContact NE-OE2 3.02Å; R630-E687 PolarHBondContact NE-OE2 2.92Å; R630-E687 IonicContact NH2-OE2 2.97Å; R630-E687 PolarHBondContact NH2-OE2 3.14Å; R630-D689 IonicContact CZ-OD1 3.7Å; R630-D689 IonicContact NH1-OD1 3Å; R630-D689 PolarHBondContact NH1-OD1 3.35Å; R630-D689 IonicContact NH2-OD1 3.65Å; R630-D689 PolarHBondContact NH2-OD1 3.45Å | ||
| 631 | I | 43.1 | Very low | 33.8 | Very low | 5 Ų | 5 | 89.2 Ų | 89.2 | 3% | 0.026 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 120.9 | 165.8 | -65 | 171.1 | 0 | 0 | 0 | 106.5 | Q629 A633 V647 L688 A691 I787 | Q629-I631 PolarHBondContact O-N 3.33Å; I631-A633 WeakPolarHBondContact CG2-O 3.37Å; I631-V647 HydrophobicContact CD1-CG1 3.86Å; I631-V647 HydrophobicContact CG1-CG1 3.84Å; I631-V647 HydrophobicContact CG2-CG1 3.95Å; I631-L688 HydrophobicContact CB-CB 4.22Å; I631-L688 HydrophobicContact CD1-CB 4.35Å; I631-L688 HydrophobicContact CD1-CD1 4.02Å; I631-A691 HydrophobicContact CD1-CB 3.84Å; I631-A691 HydrophobicContact CG1-CB 4.41Å; I631-I787 HydrophobicContact CD1-CG2 4.37Å |
| 632 | T | 41.2 | Very low | 34.5 | Very low | 41 Ų | 41 | 84.4 Ų | 84.4 | 25% | 0.252 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | -17.8 | -175.7 | 44.4 | 0 | 0 | 0 | 0 | 113.2 | R630 V648 T649 K650 | R630-T632 PolarHBondContact O-N 3.14Å; T632-V648 PolarHBondContact N-O 2.87Å; T632-V648 PolarHBondContact OG1-O 2.83Å; T632-V648 VanDerWaalsContact OG1-O 3.12Å; T632-T649 WeakPolarHBondContact OG1-CA 3.46Å; T632-K650 HydrophobicContact CG2-CB 4.21Å |
| 633 | A | 37.2 | Very low | 35.2 | Very low | 28 Ų | 28 | 83.2 Ų | 83.2 | 23% | 0.231 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162 | 152 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | I631 V648 | I631-A633 WeakPolarHBondContact CG2-O 3.37Å; A633-V648 HydrophobicContact CB-CB 4.39Å; A633-V648 PolarHBondContact N-O 2.9Å; A633-V648 PolarHBondContact O-N 3.43Å |
| 634 | C | 41.7 | Very low | 35.9 | Very low | 13 Ų | 13 | 75 Ų | 75 | 9% | 0.088 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 142.4 | 159.5 | -165.8 | 0 | 0 | 0 | 0 | 108 | L646 W686 | C634-L646 CarbonylContact C-O 3.56Å; C634-L646 VanDerWaalsContact CA-O 3.32Å; C634-L646 WeakPolarHBondContact CA-O 3.15Å; C634-W686 HydrophobicContact CB-CE3 3.86Å |
| 635 | R | 36.6 | Very low | 36.5 | Very low | 135 Ų | 135 | 72.8 Ų | 72.8 | 51% | 0.509 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 135.4 | 172.7 | -165.9 | -173.7 | -174.5 | 171.7 | 3.3 | 109.5 | L646 E681 | R635-L646 HydrophobicContact CB-CB 4.46Å; R635-L646 HydrophobicContact CB-CD2 4.46Å; R635-L646 PolarHBondContact N-O 3.07Å; R635-L646 WeakPolarHBondContact O-CB 3.43Å; R635-L646 PolarHBondContact O-N 3.27Å; R635-E681 IonicContact CZ-OE1 2.75Å; R635-E681 IonicContact NE-OE1 3.97Å; R635-E681 PolarHBondContact NE-OE1 3.5Å; R635-E681 IonicContact NH2-OE1 2.75Å; R635-E681 PolarHBondContact NH2-OE1 3.19Å; R635-E681 IonicContact NH2-OE2 3.78Å |
| 636 | V | 36.9 | Very low | 37.1 | Very low | 44 Ų | 44 | 67.7 Ų | 67.7 | 27% | 0.267 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 135.9 | 170.3 | -176.4 | 0 | 0 | 0 | 0 | 109 | V643 F645 | V636-V643 HydrophobicContact CG1-CG1 3.28Å; V636-F645 HydrophobicContact CG2-CD1 4.16Å; V636-F645 HydrophobicContact CG2-CE1 3.91Å |
| 637 | I | 35 | Very low | 37.6 | Very low | 57 Ų | 57 | 62.4 Ų | 62.4 | 29% | 0.292 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 120.4 | 173 | -64.3 | -173 | 0 | 0 | 0 | 108.3 | T639 G644 L646 L656 | I637-T639 HydrophobicContact CG2-CG2 4.47Å; I637-T639 PolarHBondContact O-N 3.3Å; I637-G644 PolarHBondContact N-O 3.35Å; I637-G644 WeakPolarHBondContact O-CA 2.87Å; I637-G644 PolarHBondContact O-N 3.25Å; I637-L646 HydrophobicContact CD1-CB 3.75Å; I637-L646 HydrophobicContact CD1-CD1 4.2Å; I637-L646 HydrophobicContact CD1-CD2 4.31Å; I637-L646 HydrophobicContact CD1-CG 4.31Å; I637-L646 HydrophobicContact CG1-CB 4.17Å; I637-L656 HydrophobicContact CD1-CD1 4.18Å |
| 638 | P | 34.6 | Very low | 37.7 | Very low | 68 Ų | 68 | 56.9 Ų | 56.9 | 44% | 0.442 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 132 | 170 | 30 | -33.6 | 0 | 0 | 0 | 110 | V679 | P638-V679 HydrophobicContact CB-CB 3.85Å; P638-V679 HydrophobicContact CB-CG2 3.81Å; P638-V679 HydrophobicContact CG-CB 4.13Å |
| 639 | T | 34.6 | Very low | 37.9 | Very low | 49 Ų | 49 | 51.3 Ų | 51.3 | 30% | 0.301 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 161.1 | 169.6 | 73.1 | 0 | 0 | 0 | 0 | 108.9 | I637 E641 G642 | I637-T639 HydrophobicContact CG2-CG2 4.47Å; I637-T639 PolarHBondContact O-N 3.3Å; T639-E641 PolarHBondContact O-N 3.49Å; T639-G642 CarbonylContact C-O 3.58Å; T639-G642 WeakPolarHBondContact CA-O 3.42Å; T639-G642 WeakPolarHBondContact CB-O 3.49Å; T639-G642 PolarHBondContact N-O 2.86Å; T639-G642 PolarHBondContact O-N 3.48Å; T639-G642 PolarHBondContact OG1-N 2.79Å; T639-G642 PolarHBondContact OG1-O 3.08Å |
| 640 | I | 33.2 | Very low | 37.7 | Very low | 149 Ų | 149 | 58 Ų | 58 | 76% | 0.764 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -31.1 | -177.7 | -69.8 | 168.9 | 0 | 0 | 0 | 112 | A676 | I640-A676 HydrophobicContact CB-CB 4.35Å; I640-A676 HydrophobicContact CG1-CB 4Å; I640-A676 HydrophobicContact CG2-CB 4.24Å |
| 641 | E | 35 | Very low | 37.6 | Very low | 96 Ų | 96 | 57.9 Ų | 57.9 | 45% | 0.449 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -0.3 | -179.9 | -65.7 | 162.9 | 160.1 | 0 | 0 | 112.4 | T639 P659 H714 I718 | T639-E641 PolarHBondContact O-N 3.49Å; E641-P659 HydrophobicContact CB-CG 4.46Å; E641-P659 VanDerWaalsContact O-CG 3.3Å; E641-P659 WeakPolarHBondContact O-CG 3.47Å; E641-H714 IonicContact OE1-CE1 3.4Å; E641-H714 PolarHBondContact OE1-CE1 3.2Å; E641-H714 IonicContact OE1-ND1 2.7Å; E641-I718 WeakPolarHBondContact OE2-CD1 3.36Å |
| 642 | G | 35.7 | Very low | 37.3 | Very low | 29 Ų | 29 | 59.2 Ų | 59.2 | 30% | 0.299 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 134.2 | -165.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | T639 | T639-G642 CarbonylContact C-O 3.58Å; T639-G642 WeakPolarHBondContact CA-O 3.42Å; T639-G642 WeakPolarHBondContact CB-O 3.49Å; T639-G642 PolarHBondContact N-O 2.86Å; T639-G642 PolarHBondContact O-N 3.48Å; T639-G642 PolarHBondContact OG1-N 2.79Å; T639-G642 PolarHBondContact OG1-O 3.08Å |
| 643 | V | 34.3 | Very low | 36.9 | Very low | 77 Ų | 77 | 61.9 Ų | 61.9 | 47% | 0.467 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 118.2 | -171.6 | -178.6 | 0 | 0 | 0 | 0 | 111.5 | V636 | V636-V643 HydrophobicContact CG1-CG1 3.28Å |
| 644 | G | 36.5 | Very low | 37.2 | Very low | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 174.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | I637 F657 | I637-G644 PolarHBondContact N-O 3.35Å; I637-G644 WeakPolarHBondContact O-CA 2.87Å; I637-G644 PolarHBondContact O-N 3.25Å; G644-F657 CarbonylContact C-O 3.53Å; G644-F657 WeakPolarHBondContact CA-O 3.43Å |
| 645 | F | 39.5 | Very low | 36.9 | Very low | 56 Ų | 56 | 65.9 Ų | 65.9 | 25% | 0.246 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 126.4 | -175.5 | -61 | -87.2 | 0 | 0 | 0 | 113.2 | V636 L656 F657 W686 | V636-F645 HydrophobicContact CG2-CD1 4.16Å; V636-F645 HydrophobicContact CG2-CE1 3.91Å; F645-L656 CarbonylContact O-C 3.59Å; F645-L656 WeakPolarHBondContact O-CA 3.27Å; F645-F657 HydrophobicContact CB-CB 4.41Å; F645-F657 HydrophobicContact CB-CD2 4.45Å; F645-F657 PolarHBondContact N-O 3.18Å; F645-F657 PolarHBondContact O-N 2.95Å; F645-W686 HydrophobicContact CD1-CH2 4.32Å; F645-W686 AromaticContact CD1-CZ3 3.92Å; F645-W686 HydrophobicContact CD1-CZ3 3.92Å; F645-W686 AromaticContact CE1-CH2 3.72Å; F645-W686 HydrophobicContact CE1-CH2 3.72Å; F645-W686 AromaticContact CE1-CZ3 3.8Å; F645-W686 HydrophobicContact CE1-CZ3 3.8Å |
| 646 | L | 39.9 | Very low | 36.9 | Very low | 42 Ų | 42 | 63.1 Ų | 63.1 | 22% | 0.22 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 116.3 | 174.8 | -177.5 | 82.8 | 0 | 0 | 0 | 110.6 | C634 R635 I637 V648 V653 | C634-L646 CarbonylContact C-O 3.56Å; C634-L646 VanDerWaalsContact CA-O 3.32Å; C634-L646 WeakPolarHBondContact CA-O 3.15Å; R635-L646 HydrophobicContact CB-CB 4.46Å; R635-L646 HydrophobicContact CB-CD2 4.46Å; R635-L646 PolarHBondContact N-O 3.07Å; R635-L646 WeakPolarHBondContact O-CB 3.43Å; R635-L646 PolarHBondContact O-N 3.27Å; I637-L646 HydrophobicContact CD1-CB 3.75Å; I637-L646 HydrophobicContact CD1-CD1 4.2Å; I637-L646 HydrophobicContact CD1-CD2 4.31Å; I637-L646 HydrophobicContact CD1-CG 4.31Å; I637-L646 HydrophobicContact CG1-CB 4.17Å; L646-V648 HydrophobicContact CD2-CG2 4.27Å; L646-V648 HydrophobicContact CG-CG2 4.41Å; L646-V653 HydrophobicContact CD1-CG1 3.61Å; L646-V653 HydrophobicContact CG-CG1 4.34Å |
| 647 | V | 41.1 | Very low | 36.9 | Very low | 7 Ų | 7 | 63.8 Ų | 63.8 | 4% | 0.042 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 124.4 | 179.6 | -178.7 | 0 | 0 | 0 | 0 | 111.4 | I631 M654 S655 F657 I787 | I631-V647 HydrophobicContact CD1-CG1 3.86Å; I631-V647 HydrophobicContact CG1-CG1 3.84Å; I631-V647 HydrophobicContact CG2-CG1 3.95Å; V647-M654 PolarHBondContact O-N 2.99Å; V647-S655 PolarHBondContact N-O 3.21Å; V647-F657 HydrophobicContact CG2-CD2 4.3Å; V647-F657 HydrophobicContact CG2-CE2 3.95Å; V647-I787 HydrophobicContact CB-CD1 4.36Å; V647-I787 HydrophobicContact CG1-CD1 4.09Å; V647-I787 HydrophobicContact CG2-CD1 3.99Å |
| 648 | V | 39 | Very low | 37 | Very low | 37 Ų | 37 | 64 Ų | 64 | 22% | 0.224 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 131 | -179.2 | -168.5 | 0 | 0 | 0 | 0 | 110.6 | T632 A633 L646 V653 | T632-V648 PolarHBondContact N-O 2.87Å; T632-V648 PolarHBondContact OG1-O 2.83Å; T632-V648 VanDerWaalsContact OG1-O 3.12Å; A633-V648 HydrophobicContact CB-CB 4.39Å; A633-V648 PolarHBondContact N-O 2.9Å; A633-V648 PolarHBondContact O-N 3.43Å; L646-V648 HydrophobicContact CD2-CG2 4.27Å; L646-V648 HydrophobicContact CG-CG2 4.41Å; V648-V653 HydrophobicContact CG2-CG2 4.29Å |
| 649 | T | 40.9 | Very low | 36.7 | Very low | 4 Ų | 4 | 63.1 Ų | 63.1 | 3% | 0.025 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 174 | 174.7 | 71.8 | 0 | 0 | 0 | 0 | 111.3 | Q629 T632 S651 G652 M654 W693 | Q629-T649 HydrophobicContact CB-CG2 4.41Å; Q629-T649 PolarHBondContact OE1-OG1 3.14Å; T632-T649 WeakPolarHBondContact OG1-CA 3.46Å; T649-S651 PolarHBondContact O-N 3.21Å; T649-S651 PolarHBondContact OG1-N 3.1Å; T649-G652 PolarHBondContact N-O 3.07Å; T649-G652 PolarHBondContact O-N 3.27Å; T649-G652 PolarHBondContact OG1-O 3.03Å; T649-M654 HydrophobicContact CG2-CB 4.35Å; T649-M654 HydrophobicContact CG2-CG 4.01Å; T649-M654 HydrophobicContact CG2-SD 3.51Å; T649-M654 VanDerWaalsContact CG2-SD 3.51Å; T649-W693 HydrophobicContact CG2-CH2 4.41Å; T649-W693 HydrophobicContact CG2-CZ2 4.45Å |
| 650 | K | 35.4 | Very low | 36.5 | Very low | 193 Ų | 193 | 65.1 Ų | 65.1 | 84% | 0.839 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | 4 | 171.5 | -150 | 166.4 | -173 | 169.1 | 0 | 114.1 | T632 | T632-K650 HydrophobicContact CG2-CB 4.21Š|
| 651 | S | 37.8 | Very low | 36.2 | Very low | 86 Ų | 86 | 64.1 Ų | 64.1 | 60% | 0.601 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.2 | -10.5 | 169.6 | -43.3 | 0 | 0 | 0 | 0 | 113.8 | Q629 T649 | Q629-S651 PolarHBondContact NE2-OG 2.74Å; Q629-S651 VanDerWaalsContact NE2-OG 3.07Å; Q629-S651 PolarHBondContact OE1-OG 2.69Å; T649-S651 PolarHBondContact O-N 3.21Å; T649-S651 PolarHBondContact OG1-N 3.1Å |
| 652 | G | 36.4 | Very low | 35.7 | Very low | 32 Ų | 32 | 66.8 Ų | 66.8 | 33% | 0.33 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 121.7 | -174.6 | -170.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | T649 | T649-G652 PolarHBondContact N-O 3.07Å; T649-G652 PolarHBondContact O-N 3.27Å; T649-G652 PolarHBondContact OG1-O 3.03Å |
| 653 | V | 34.1 | Very low | 35.2 | Very low | 98 Ų | 98 | 69.4 Ų | 69.4 | 59% | 0.594 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 135.1 | 168.7 | -176.8 | 0 | 0 | 0 | 0 | 109.1 | L646 V648 | L646-V653 HydrophobicContact CD1-CG1 3.61Å; L646-V653 HydrophobicContact CG-CG1 4.34Å; V648-V653 HydrophobicContact CG2-CG2 4.29Å |
| 654 | M | 42 | Very low | 34.7 | Very low | 87 Ų | 87 | 71.6 Ų | 71.6 | 43% | 0.429 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | -32.2 | -176.1 | -88.4 | -163.1 | 63.4 | 0 | 0 | 115.5 | V647 T649 W693 | V647-M654 PolarHBondContact O-N 2.99Å; T649-M654 HydrophobicContact CG2-CB 4.35Å; T649-M654 HydrophobicContact CG2-CG 4.01Å; T649-M654 HydrophobicContact CG2-SD 3.51Å; T649-M654 VanDerWaalsContact CG2-SD 3.51Å; M654-W693 HydrophobicContact CB-CH2 4.35Å; M654-W693 HydrophobicContact CE-CE3 4.39Å; M654-W693 HydrophobicContact CE-CH2 3.37Å; M654-W693 HydrophobicContact CE-CZ2 3.63Å; M654-W693 HydrophobicContact CE-CZ3 3.77Å; M654-W693 HydrophobicContact SD-CH2 3.75Å; M654-W693 HydrophobicContact SD-CZ2 3.89Å |
| 655 | S | 37 | Very low | 34 | Very low | 37 Ų | 37 | 77.8 Ų | 77.8 | 26% | 0.259 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 150 | 178.7 | -165.8 | 0 | 0 | 0 | 0 | 111.6 | V647 | V647-S655 PolarHBondContact N-O 3.21Å |
| 656 | L | 36.8 | Very low | 33.2 | Very low | 77 Ų | 77 | 81.7 Ų | 81.7 | 40% | 0.403 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 120.3 | 160.6 | 177.2 | 66.3 | 0 | 0 | 0 | 106.8 | I637 F645 T722 | I637-L656 HydrophobicContact CD1-CD1 4.18Å; F645-L656 CarbonylContact O-C 3.59Å; F645-L656 WeakPolarHBondContact O-CA 3.27Å; L656-T722 HydrophobicContact CD2-CG2 4.02Å |
| 657 | F | 36.8 | Very low | 32.3 | Very low | 59 Ų | 59 | 87.4 Ų | 87.4 | 26% | 0.259 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 125.2 | 169.4 | -64.4 | -89.1 | 0 | 0 | 0 | 108.8 | G644 F645 V647 I787 | G644-F657 CarbonylContact C-O 3.53Å; G644-F657 WeakPolarHBondContact CA-O 3.43Å; F645-F657 HydrophobicContact CB-CB 4.41Å; F645-F657 HydrophobicContact CB-CD2 4.45Å; F645-F657 PolarHBondContact N-O 3.18Å; F645-F657 PolarHBondContact O-N 2.95Å; V647-F657 HydrophobicContact CG2-CD2 4.3Å; V647-F657 HydrophobicContact CG2-CE2 3.95Å; F657-I787 HydrophobicContact CE2-CD1 3.66Å; F657-I787 HydrophobicContact CE2-CG1 4.37Å; F657-I787 HydrophobicContact CZ-CB 4.44Å; F657-I787 HydrophobicContact CZ-CD1 3.71Å; F657-I787 HydrophobicContact CZ-CG1 3.91Å |
| 658 | S | 35.4 | Very low | 31.3 | Very low | 60 Ų | 60 | 91.7 Ų | 91.7 | 42% | 0.42 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -84 | 163.7 | 159 | 63 | 0 | 0 | 0 | 0 | 109.6 | ||
| 659 | P | 29.9 | Very low | 30.5 | Very low | 51 Ų | 51 | 95.4 Ų | 95.4 | 33% | 0.331 | 57% | 0.57 | S | S | . | * | P | Polyproline II helix | trans | -57 | 163.5 | 155.7 | 27.3 | -34.8 | 0 | 0 | 0 | 111 | E641 | E641-P659 HydrophobicContact CB-CG 4.46Å; E641-P659 VanDerWaalsContact O-CG 3.3Å; E641-P659 WeakPolarHBondContact O-CG 3.47Å |
| 660 | A | 29.5 | Very low | 29.5 | Very low | 91 Ų | 91 | 101.1 Ų | 101.1 | 75% | 0.752 | 61% | 0.609 | S | S | * | * | trans | -122.5 | 135.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | E662 | A660-E662 PolarHBondContact O-N 2.83Å; A660-E662 VanDerWaalsContact O-N 3.16Å | ||
| 661 | D | 27.7 | Very low | 28.7 | Very low | 128 Ų | 128 | 101.3 Ų | 101.3 | 68% | 0.684 | 61% | 0.609 | S | S | * | * | trans | -76 | 93.6 | 179.7 | -64.4 | -48.2 | 0 | 0 | 0 | 112 | S663 | D661-S663 PolarHBondContact O-N 3.42Š| ||
| 662 | E | 24.1 | Very low | 28 | Very low | 152 Ų | 152 | 107.1 Ų | 107.1 | 71% | 0.71 | 62% | 0.62 | S | S | * | * | trans | -77.3 | 72.8 | 163.1 | -72.4 | -160.7 | 155.6 | 0 | 0 | 110.5 | A660 T664 | A660-E662 PolarHBondContact O-N 2.83Å; A660-E662 VanDerWaalsContact O-N 3.16Å; E662-T664 PolarHBondContact O-N 2.79Å | ||
| 663 | S | 26 | Very low | 27.3 | Very low | 83 Ų | 83 | 113 Ų | 113 | 58% | 0.58 | 64% | 0.643 | S | S | * | * | trans | -77.9 | 63.7 | -177.3 | 73.8 | 0 | 0 | 0 | 0 | 113.4 | D661 | D661-S663 PolarHBondContact O-N 3.42Š| ||
| 664 | T | 22.3 | Very low | 26.7 | Very low | 123 Ų | 123 | 116.1 Ų | 116.1 | 76% | 0.755 | 66% | 0.655 | S | S | * | * | trans | -137.8 | 133.5 | 161.6 | 59.5 | 0 | 0 | 0 | 0 | 108.5 | E662 | E662-T664 PolarHBondContact O-N 2.79Š| ||
| 665 | T | 22.9 | Very low | 25.9 | Very low | 131 Ų | 131 | 117.3 Ų | 117.3 | 80% | 0.804 | 67% | 0.67 | S | S | * | * | cis | -126 | 173.2 | 24.2 | 50.4 | 0 | 0 | 0 | 0 | 113.8 | D667 | T665-D667 PolarHBondContact O-N 3.07Š| ||
| 666 | T | 21.6 | Very low | 25.3 | Very low | 137 Ų | 137 | 118.8 Ų | 118.8 | 84% | 0.84 | 68% | 0.684 | S | S | * | * | trans | -61.6 | 122.1 | 169.6 | 49.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 667 | D | 22.3 | Very low | 24.7 | Very low | 163 Ų | 163 | 118.8 Ų | 118.8 | 87% | 0.872 | 69% | 0.69 | S | S | * | * | trans | -148 | 157.8 | 138.7 | -134.8 | -32 | 0 | 0 | 0 | 111.5 | T665 | T665-D667 PolarHBondContact O-N 3.07Š| ||
| 668 | S | 20.4 | Very low | 24.3 | Very low | 97 Ų | 97 | 119 Ų | 119 | 68% | 0.678 | 70% | 0.699 | S | S | * | * | trans | -96.7 | 154.6 | -165.8 | 66.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 669 | S | 21.7 | Very low | 23.8 | Very low | 115 Ų | 115 | 119.4 Ų | 119.4 | 80% | 0.804 | 70% | 0.699 | S | S | * | * | trans | 63.8 | 87.2 | 172.1 | 64.8 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 670 | C | 19.7 | Very low | 23.5 | Very low | 124 Ų | 124 | 123.6 Ų | 123.6 | 84% | 0.838 | 72% | 0.718 | S | S | * | * | trans | -157.9 | 106.1 | 137.9 | -118.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 671 | K | 19.2 | Very low | 23.3 | Very low | 196 Ų | 196 | 124.4 Ų | 124.4 | 85% | 0.852 | 71% | 0.707 | S | S | * | * | trans | -87.7 | 116.7 | 163.1 | -76.6 | -176.9 | 174.8 | -174.2 | 0 | 107.9 | ||||
| 672 | Y | 21.8 | Very low | 23.1 | Very low | 209 Ų | 209 | 125.6 Ų | 125.6 | 82% | 0.82 | 71% | 0.708 | S | S | * | * | trans | -149.5 | 132.9 | 149.1 | -84.6 | -63.9 | 0 | 0 | 0 | 109.9 | ||||
| 673 | D | 21.4 | Very low | 23.2 | Very low | 155 Ų | 155 | 126.1 Ų | 126.1 | 83% | 0.829 | 71% | 0.708 | S | S | * | * | trans | -70.9 | 136.1 | 180 | -50.2 | -87.5 | 0 | 0 | 0 | 110.2 | P675 | D673-P675 WeakPolarHBondContact O-CD 3.44Š| ||
| 674 | I | 22.2 | Very low | 23.3 | Very low | 163 Ų | 163 | 127 Ų | 127 | 84% | 0.836 | 71% | 0.706 | S | S | * | * | trans | -105.2 | 108.8 | -179.9 | -58.2 | 176.4 | 0 | 0 | 0 | 108.4 | ||||
| 675 | P | 26 | Very low | 23.7 | Very low | 113 Ų | 113 | 127 Ų | 127 | 73% | 0.734 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 135.4 | 171.9 | -15.2 | 30.9 | 0 | 0 | 0 | 110.3 | D673 S677 | D673-P675 WeakPolarHBondContact O-CD 3.44Å; P675-S677 PolarHBondContact O-N 2.77Å |
| 676 | A | 22.9 | Very low | 24.4 | Very low | 68 Ų | 68 | 123.3 Ų | 123.3 | 56% | 0.562 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 119.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | I640 | I640-A676 HydrophobicContact CB-CB 4.35Å; I640-A676 HydrophobicContact CG1-CB 4Å; I640-A676 HydrophobicContact CG2-CB 4.24Å |
| 677 | S | 24.1 | Very low | 25.1 | Very low | 76 Ų | 76 | 119.7 Ų | 119.7 | 53% | 0.531 | 64% | 0.642 | S | S | . | * | P | Polyproline II helix | trans | -86.6 | 142.9 | 178 | 50.4 | 0 | 0 | 0 | 0 | 112.1 | P675 | P675-S677 PolarHBondContact O-N 2.77Š|
| 678 | S | 28.3 | Very low | 26.1 | Very low | 65 Ų | 65 | 113.2 Ų | 113.2 | 46% | 0.455 | 61% | 0.607 | S | S | . | * | P | Polyproline II helix | trans | -72.2 | 125.8 | 177.1 | 49.7 | 0 | 0 | 0 | 0 | 111.1 | ||
| 679 | V | 25.3 | Very low | 27.2 | Very low | 67 Ų | 67 | 113.9 Ų | 113.9 | 41% | 0.406 | 60% | 0.603 | S | S | . | * | P | Polyproline II helix | trans | -100.9 | 116.9 | -179 | 177.8 | 0 | 0 | 0 | 0 | 110.4 | P638 | P638-V679 HydrophobicContact CB-CB 3.85Å; P638-V679 HydrophobicContact CB-CG2 3.81Å; P638-V679 HydrophobicContact CG-CB 4.13Å |
| 680 | D | 24.5 | Very low | 28.4 | Very low | 139 Ų | 139 | 111.7 Ų | 111.7 | 74% | 0.743 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 151 | 170 | -84.1 | -40.6 | 0 | 0 | 0 | 112.8 | Q682 | D680-Q682 PolarHBondContact O-N 3.33Š|
| 681 | E | 23.8 | Very low | 29.8 | Very low | 109 Ų | 109 | 105.9 Ų | 105.9 | 51% | 0.509 | 55% | 0.546 | S | S | . | . | trans | -79.6 | 99.5 | -164.3 | -56.7 | -157.8 | 106.4 | 0 | 0 | 114.7 | R635 F683 | R635-E681 IonicContact CZ-OE1 2.75Å; R635-E681 IonicContact NE-OE1 3.97Å; R635-E681 PolarHBondContact NE-OE1 3.5Å; R635-E681 IonicContact NH2-OE1 2.75Å; R635-E681 PolarHBondContact NH2-OE1 3.19Å; R635-E681 IonicContact NH2-OE2 3.78Å; E681-F683 HydrophobicContact CB-CD2 4.27Å; E681-F683 HydrophobicContact CB-CE2 3.82Å; E681-F683 HydrophobicContact CB-CZ 4.3Å; E681-F683 PolarHBondContact O-N 3.3Å; E681-F683 WeakPolarHBondContact OE2-CZ 3.48Å | ||
| 682 | Q | 24.2 | Very low | 31.2 | Very low | 153 Ų | 153 | 100.6 Ų | 100.6 | 72% | 0.715 | 53% | 0.525 | S | S | * | . | trans | -83.6 | 107.4 | 159.2 | -69 | -165.2 | -2.3 | 0 | 0 | 110.8 | D680 L684 | D680-Q682 PolarHBondContact O-N 3.33Å; Q682-L684 PolarHBondContact O-N 3.37Å | ||
| 683 | F | 27.1 | Very low | 32.5 | Very low | 163 Ų | 163 | 92.8 Ų | 92.8 | 72% | 0.715 | 49% | 0.493 | S | S | * | . | trans | -72 | 82.7 | -177.7 | -75.4 | -92 | 0 | 0 | 0 | 113.5 | E681 H685 | E681-F683 HydrophobicContact CB-CD2 4.27Å; E681-F683 HydrophobicContact CB-CE2 3.82Å; E681-F683 HydrophobicContact CB-CZ 4.3Å; E681-F683 PolarHBondContact O-N 3.3Å; E681-F683 WeakPolarHBondContact OE2-CZ 3.48Å; F683-H685 PolarHBondContact O-N 3.14Å | ||
| 684 | L | 28.3 | Very low | 33.7 | Very low | 101 Ų | 101 | 91.7 Ų | 91.7 | 53% | 0.529 | 48% | 0.478 | S | S | . | . | trans | -82.8 | 90.6 | 163.3 | -73.8 | 168.4 | 0 | 0 | 0 | 110.2 | Q682 W686 | Q682-L684 PolarHBondContact O-N 3.37Å; L684-W686 HydrophobicContact CB-CZ2 4.1Å; L684-W686 HydrophobicContact CD1-CZ2 4.16Å; L684-W686 PolarHBondContact O-N 3.19Å | ||
| 685 | H | 30.8 | Very low | 34.7 | Very low | 124 Ų | 124 | 88.6 Ų | 88.6 | 57% | 0.574 | 46% | 0.46 | S | S | * | . | trans | -91.7 | 99.4 | -177.7 | -165.7 | 88.2 | 0 | 0 | 0 | 112.3 | F683 | F683-H685 PolarHBondContact O-N 3.14Š| ||
| 686 | W | 37.3 | Very low | 35.5 | Very low | 53 Ų | 53 | 85.7 Ų | 85.7 | 20% | 0.201 | 44% | 0.44 | C | S | . | . | trans | -96.8 | 121 | 178.9 | -53.6 | -46.7 | 0 | 0 | 0 | 112.7 | C634 F645 L684 F796 | C634-W686 HydrophobicContact CB-CE3 3.86Å; F645-W686 HydrophobicContact CD1-CH2 4.32Å; F645-W686 AromaticContact CD1-CZ3 3.92Å; F645-W686 HydrophobicContact CD1-CZ3 3.92Å; F645-W686 AromaticContact CE1-CH2 3.72Å; F645-W686 HydrophobicContact CE1-CH2 3.72Å; F645-W686 AromaticContact CE1-CZ3 3.8Å; F645-W686 HydrophobicContact CE1-CZ3 3.8Å; L684-W686 HydrophobicContact CB-CZ2 4.1Å; L684-W686 HydrophobicContact CD1-CZ2 4.16Å; L684-W686 PolarHBondContact O-N 3.19Å; W686-F796 HydrophobicContact CD2-CZ 4.13Å; W686-F796 HydrophobicContact CE3-CE1 4.09Å; W686-F796 AromaticContact CE3-CZ 3.54Å; W686-F796 HydrophobicContact CE3-CZ 3.54Å; W686-F796 AromaticContact CH2-CE1 3.97Å; W686-F796 HydrophobicContact CH2-CE1 3.97Å; W686-F796 AromaticContact CH2-CZ 3.82Å; W686-F796 HydrophobicContact CH2-CZ 3.82Å; W686-F796 HydrophobicContact CZ2-CZ 4.36Å; W686-F796 AromaticContact CZ3-CE1 3.52Å; W686-F796 HydrophobicContact CZ3-CE1 3.52Å; W686-F796 AromaticContact CZ3-CZ 3.39Å; W686-F796 HydrophobicContact CZ3-CZ 3.39Å | ||
| 687 | E | 35.8 | Very low | 36.2 | Very low | 61 Ų | 61 | 87.2 Ų | 87.2 | 29% | 0.285 | 44% | 0.442 | S | S | . | . | trans | -97.3 | 117.2 | 155.2 | -84.5 | -159.9 | -151.5 | 0 | 0 | 109.3 | R185 R630 | R185-E687 IonicContact CZ-OE1 3.41Å; R185-E687 VanDerWaalsContact CZ-OE1 3.28Å; R185-E687 IonicContact NH1-OE1 2.78Å; R185-E687 PolarHBondContact NH1-OE1 3.14Å; R185-E687 IonicContact NH2-OE1 3.32Å; R185-E687 PolarHBondContact NH2-OE1 2.91Å; R630-E687 IonicContact CZ-OE2 2.73Å; R630-E687 IonicContact NE-OE2 3.02Å; R630-E687 PolarHBondContact NE-OE2 2.92Å; R630-E687 IonicContact NH2-OE2 2.97Å; R630-E687 PolarHBondContact NH2-OE2 3.14Å | ||
| 688 | L | 43.7 | Very low | 36.7 | Very low | 27 Ų | 27 | 86.9 Ų | 86.9 | 14% | 0.141 | 44% | 0.438 | C | S | . | . | B | Isolated β-bridge | trans | -100.7 | 107.8 | 175.1 | -89.1 | 163.5 | 0 | 0 | 0 | 109.8 | I631 T690 F796 | I631-L688 HydrophobicContact CB-CB 4.22Å; I631-L688 HydrophobicContact CD1-CB 4.35Å; I631-L688 HydrophobicContact CD1-CD1 4.02Å; L688-T690 VanDerWaalsContact C-N 3.29Å; L688-T690 PolarHBondContact O-N 2.86Å; L688-F796 HydrophobicContact CD1-CD2 4.16Å; L688-F796 HydrophobicContact CD1-CE2 3.9Å |
| 689 | D | 43.9 | Very low | 36.8 | Very low | 111 Ų | 111 | 90.3 Ų | 90.3 | 59% | 0.594 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -59.4 | -37.8 | 178.9 | -98.2 | 5.8 | 0 | 0 | 0 | 112.5 | R630 | R630-D689 IonicContact CZ-OD1 3.7Å; R630-D689 IonicContact NH1-OD1 3Å; R630-D689 PolarHBondContact NH1-OD1 3.35Å; R630-D689 IonicContact NH2-OD1 3.65Å; R630-D689 PolarHBondContact NH2-OD1 3.45Å |
| 690 | T | 46 | Very low | 37.1 | Very low | 69 Ų | 69 | 92.2 Ų | 92.2 | 42% | 0.423 | 47% | 0.465 | S | S | . | . | trans | -139.9 | 121 | 178.1 | 56.3 | 0 | 0 | 0 | 0 | 112.7 | L688 | L688-T690 VanDerWaalsContact C-N 3.29Å; L688-T690 PolarHBondContact O-N 2.86Å | ||
| 691 | A | 48.8 | Very low | 37.4 | Very low | 2 Ų | 2 | 90 Ų | 90 | 2% | 0.017 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 147.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | I631 I787 | I631-A691 HydrophobicContact CD1-CB 3.84Å; I631-A691 HydrophobicContact CG1-CB 4.41Å; A691-I787 HydrophobicContact CB-CG2 4.14Å |
| 692 | E | 48.6 | Very low | 37.6 | Very low | 85 Ų | 85 | 91.5 Ų | 91.5 | 40% | 0.397 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 163.3 | 172.9 | -71.4 | -169.4 | 175 | 0 | 0 | 110.9 | M628 I788 A790 | M628-E692 HydrophobicContact CE-CG 3.99Å; M628-E692 WeakPolarHBondContact CE-OE1 3.17Å; E692-I788 HydrophobicContact CB-CB 4.47Å; E692-I788 PolarHBondContact N-O 2.88Å; E692-I788 PolarHBondContact O-N 3.44Å; E692-A790 HydrophobicContact CG-CB 3.98Å |
| 693 | W | 50.2 | Low | 37.7 | Very low | 44 Ų | 44 | 91 Ų | 91 | 17% | 0.167 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 128.5 | 179.6 | -37.4 | 79.5 | 0 | 0 | 0 | 108.4 | K627 T649 M654 E786 I787 | K627-W693 PolarHBondContact O-NE1 3.38Å; T649-W693 HydrophobicContact CG2-CH2 4.41Å; T649-W693 HydrophobicContact CG2-CZ2 4.45Å; M654-W693 HydrophobicContact CB-CH2 4.35Å; M654-W693 HydrophobicContact CE-CE3 4.39Å; M654-W693 HydrophobicContact CE-CH2 3.37Å; M654-W693 HydrophobicContact CE-CZ2 3.63Å; M654-W693 HydrophobicContact CE-CZ3 3.77Å; M654-W693 HydrophobicContact SD-CH2 3.75Å; M654-W693 HydrophobicContact SD-CZ2 3.89Å; W693-E786 WeakPolarHBondContact CA-O 3.37Å; W693-I787 HydrophobicContact CE3-CD1 4.2Å; W693-I787 HydrophobicContact CE3-CG1 3.6Å; W693-I787 HydrophobicContact CH2-CD1 4.15Å; W693-I787 HydrophobicContact CH2-CG1 4.39Å; W693-I787 HydrophobicContact CZ3-CD1 3.58Å; W693-I787 HydrophobicContact CZ3-CG1 3.53Å |
| 694 | R | 45.6 | Very low | 37.7 | Very low | 132 Ų | 132 | 90 Ų | 90 | 50% | 0.498 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 134.3 | 172.8 | -179.3 | -174.1 | -63.8 | 144.3 | -8.1 | 109.1 | V696 Y785 E786 I788 | R694-V696 PolarHBondContact O-N 2.75Å; R694-Y785 CarbonylContact O-C 3.55Å; R694-Y785 VanDerWaalsContact O-CA 3.29Å; R694-Y785 WeakPolarHBondContact O-CA 3.47Å; R694-E786 HydrophobicContact CB-CG 3.84Å; R694-E786 VanDerWaalsContact CD-OE1 3.31Å; R694-E786 WeakPolarHBondContact CD-OE1 3.18Å; R694-E786 IonicContact CZ-OE1 3.69Å; R694-E786 PolarHBondContact N-O 3.19Å; R694-E786 IonicContact NE-OE1 2.71Å; R694-E786 IonicContact NH1-OE1 3.74Å; R694-E786 PolarHBondContact NH1-OE1 3.09Å; R694-E786 PolarHBondContact O-N 3.13Å; R694-I788 HydrophobicContact CB-CD1 3.6Å |
| 695 | E | 42.8 | Very low | 37.7 | Very low | 99 Ų | 99 | 92.1 Ų | 92.1 | 46% | 0.463 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 117.1 | 173.2 | -166.2 | 169.7 | 154.7 | 0 | 0 | 108.9 | V783 Y785 | E695-V783 HydrophobicContact CG-CG1 3.47Å; E695-V783 VanDerWaalsContact CG-CG1 3.47Å; E695-V783 WeakPolarHBondContact OE1-CG1 3.33Å; E695-Y785 HydrophobicContact CB-CD1 4.13Å; E695-Y785 HydrophobicContact CB-CE1 3.8Å; E695-Y785 HydrophobicContact CG-CD1 4.45Å; E695-Y785 HydrophobicContact CG-CE1 3.89Å |
| 696 | V | 42.9 | Very low | 37.6 | Very low | 51 Ų | 51 | 93 Ų | 93 | 31% | 0.309 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 103.5 | 173.7 | 178.8 | 0 | 0 | 0 | 0 | 106.3 | R694 P698 L784 E786 | R694-V696 PolarHBondContact O-N 2.75Å; V696-P698 VanDerWaalsContact O-CD 3.24Å; V696-P698 WeakPolarHBondContact O-CD 3.3Å; V696-L784 HydrophobicContact CB-CB 3.94Å; V696-L784 HydrophobicContact CG1-CB 4.4Å; V696-L784 PolarHBondContact N-O 3.09Å; V696-L784 WeakPolarHBondContact O-CB 3.17Å; V696-L784 PolarHBondContact O-N 3.34Å; V696-E786 HydrophobicContact CG2-CB 3.93Å; V696-E786 HydrophobicContact CG2-CG 3.77Å |
| 697 | V | 38.2 | Very low | 37.3 | Very low | 100 Ų | 100 | 97.9 Ų | 97.9 | 61% | 0.606 | 53% | 0.527 | S | S | * | . | trans | -79.6 | 112.3 | 169.1 | -179 | 0 | 0 | 0 | 0 | 106.8 | D699 | V697-D699 PolarHBondContact O-N 2.75Š| ||
| 698 | P | 33.8 | Very low | 36.8 | Very low | 70 Ų | 70 | 100.6 Ų | 100.6 | 46% | 0.455 | 54% | 0.543 | S | S | . | . | trans | -67 | 119.1 | 173.8 | 27.8 | -32.8 | 0 | 0 | 0 | 108.6 | V696 P700 | V696-P698 VanDerWaalsContact O-CD 3.24Å; V696-P698 WeakPolarHBondContact O-CD 3.3Å; P698-P700 WeakPolarHBondContact O-CD 3.16Å; P698-P700 VanDerWaalsContact O-N 3.16Å | ||
| 699 | D | 30.5 | Very low | 36.1 | Very low | 136 Ų | 136 | 103.8 Ų | 103.8 | 73% | 0.727 | 57% | 0.568 | S | S | * | * | trans | -61.7 | 114.1 | -173.2 | -114.9 | -33.6 | 0 | 0 | 0 | 110.9 | V697 S701 | V697-D699 PolarHBondContact O-N 2.75Å; D699-S701 PolarHBondContact O-N 2.8Å | ||
| 700 | P | 32.4 | Very low | 35.4 | Very low | 107 Ų | 107 | 103.8 Ų | 103.8 | 70% | 0.695 | 57% | 0.568 | S | S | * | * | G | 310 helix | trans | -72 | 2.3 | -174.4 | -19.4 | 33.8 | 0 | 0 | 0 | 114.5 | P698 N702 | P698-P700 WeakPolarHBondContact O-CD 3.16Å; P698-P700 VanDerWaalsContact O-N 3.16Å; P700-N702 PolarHBondContact O-N 3.39Å |
| 701 | S | 31.6 | Very low | 34.5 | Very low | 92 Ų | 92 | 106 Ų | 106 | 64% | 0.643 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -72.6 | -22.8 | -168.9 | 55.1 | 0 | 0 | 0 | 0 | 114.2 | D699 N703 | D699-S701 PolarHBondContact O-N 2.8Å; S701-N703 PolarHBondContact O-N 3.23Å |
| 702 | N | 27.7 | Very low | 33.6 | Very low | 141 Ų | 141 | 111.7 Ų | 111.7 | 75% | 0.754 | 60% | 0.602 | S | S | * | * | G | 310 helix | trans | -87 | 24.3 | -175 | -153.5 | 10.6 | 0 | 0 | 0 | 114.4 | P700 N704 | P700-N702 PolarHBondContact O-N 3.39Å; N702-N704 VanDerWaalsContact C-N 3.28Å; N702-N704 PolarHBondContact O-N 3.49Å |
| 703 | N | 25.2 | Very low | 32.8 | Very low | 144 Ų | 144 | 110 Ų | 110 | 77% | 0.77 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | 18.8 | -175 | -158.1 | 29.4 | 0 | 0 | 0 | 114 | S701 | S701-N703 PolarHBondContact O-N 3.23Š|
| 704 | N | 27.4 | Very low | 31.8 | Very low | 141 Ų | 141 | 112 Ų | 112 | 75% | 0.754 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | -13.8 | -170.1 | -97.4 | -6.9 | 0 | 0 | 0 | 115.4 | N702 N706 | N702-N704 VanDerWaalsContact C-N 3.28Å; N702-N704 PolarHBondContact O-N 3.49Å; N704-N706 PolarHBondContact O-N 2.98Å |
| 705 | N | 28.5 | Very low | 31.2 | Very low | 145 Ų | 145 | 110.1 Ų | 110.1 | 78% | 0.775 | 61% | 0.614 | S | S | * | * | trans | -95.4 | 97.8 | -180 | -79.9 | -19.2 | 0 | 0 | 0 | 111.6 | ||||
| 706 | N | 28 | Very low | 30.6 | Very low | 144 Ų | 144 | 110.4 Ų | 110.4 | 77% | 0.77 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.2 | 157.7 | 169.8 | -68.2 | -63.1 | 0 | 0 | 0 | 112.6 | N704 | N704-N706 PolarHBondContact O-N 2.98Š|
| 707 | N | 30.7 | Very low | 30 | Very low | 155 Ų | 155 | 115.2 Ų | 115.2 | 83% | 0.829 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 96.1 | -18.8 | 167 | -51.4 | -21.9 | 0 | 0 | 0 | 118.6 | S709 | N707-S709 PolarHBondContact O-N 3.2Š|
| 708 | N | 25.8 | Very low | 29.6 | Very low | 117 Ų | 117 | 112.6 Ų | 112.6 | 63% | 0.626 | 61% | 0.613 | S | S | * | * | trans | -97.8 | 70.3 | 177.4 | -81.6 | -14.3 | 0 | 0 | 0 | 113.8 | N710 F711 | N708-N710 PolarHBondContact O-N 2.95Å; N708-N710 VanDerWaalsContact O-N 3.08Å; N708-F711 HydrophobicContact CB-CD2 4.08Å | ||
| 709 | S | 29.6 | Very low | 29.5 | Very low | 95 Ų | 95 | 115.3 Ų | 115.3 | 66% | 0.664 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58 | -17.8 | 171.6 | 50.5 | 0 | 0 | 0 | 0 | 114.5 | N707 | N707-S709 PolarHBondContact O-N 3.2Š|
| 710 | N | 29.8 | Very low | 29.5 | Very low | 110 Ų | 110 | 114.6 Ų | 114.6 | 59% | 0.588 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -77.3 | -25.7 | -172.5 | -67 | -0.6 | 0 | 0 | 0 | 114.2 | N708 N712 S713 H714 | N708-N710 PolarHBondContact O-N 2.95Å; N708-N710 VanDerWaalsContact O-N 3.08Å; N710-N712 PolarHBondContact O-N 3.44Å; N710-S713 WeakPolarHBondContact CA-OG 3.25Å; N710-S713 WeakPolarHBondContact O-CA 3.34Å; N710-S713 WeakPolarHBondContact O-CB 3.27Å; N710-S713 PolarHBondContact O-N 3.25Å; N710-S713 PolarHBondContact O-OG 2.89Å; N710-H714 PolarHBondContact O-N 2.98Å |
| 711 | F | 27.3 | Very low | 29.3 | Very low | 117 Ų | 117 | 114.1 Ų | 114.1 | 51% | 0.513 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -60.9 | -46.5 | -179.1 | -93.9 | -75.7 | 0 | 0 | 0 | 112.3 | N708 S713 H714 V715 | N708-F711 HydrophobicContact CB-CD2 4.08Å; F711-S713 PolarHBondContact O-N 3.05Å; F711-H714 PolarHBondContact O-N 3.46Å; F711-V715 PolarHBondContact O-N 3.04Å |
| 712 | N | 29.4 | Very low | 29.2 | Very low | 120 Ų | 120 | 111.9 Ų | 111.9 | 64% | 0.642 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -64.7 | -28.3 | 173.3 | -87.6 | -62 | 0 | 0 | 0 | 112.4 | N710 L716 | N710-N712 PolarHBondContact O-N 3.44Å; N712-L716 VanDerWaalsContact O-CB 3.25Å; N712-L716 WeakPolarHBondContact O-CB 3.46Å; N712-L716 WeakPolarHBondContact O-CD1 3.44Å; N712-L716 WeakPolarHBondContact O-CG 3.49Å; N712-L716 PolarHBondContact O-N 3.42Å |
| 713 | S | 30.7 | Very low | 29.2 | Very low | 50 Ų | 50 | 109.2 Ų | 109.2 | 35% | 0.35 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -74.9 | -31.4 | 179.3 | 81 | 0 | 0 | 0 | 0 | 113.5 | N710 F711 R717 | N710-S713 WeakPolarHBondContact CA-OG 3.25Å; N710-S713 WeakPolarHBondContact O-CA 3.34Å; N710-S713 WeakPolarHBondContact O-CB 3.27Å; N710-S713 PolarHBondContact O-N 3.25Å; N710-S713 PolarHBondContact O-OG 2.89Å; F711-S713 PolarHBondContact O-N 3.05Å; S713-R717 VanDerWaalsContact O-CB 3.25Å; S713-R717 WeakPolarHBondContact O-CB 3.03Å; S713-R717 VanDerWaalsContact O-CG 3.31Å; S713-R717 WeakPolarHBondContact O-CG 3.28Å; S713-R717 PolarHBondContact O-N 3.4Å |
| 714 | H | 30.6 | Very low | 29.4 | Very low | 87 Ų | 87 | 110 Ų | 110 | 40% | 0.403 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -75.7 | -48.2 | 179.2 | -124.6 | -98.7 | 0 | 0 | 0 | 111.6 | E641 N710 F711 L716 R717 I718 | E641-H714 IonicContact OE1-CE1 3.4Å; E641-H714 PolarHBondContact OE1-CE1 3.2Å; E641-H714 IonicContact OE1-ND1 2.7Å; N710-H714 PolarHBondContact O-N 2.98Å; F711-H714 PolarHBondContact O-N 3.46Å; H714-L716 VanDerWaalsContact C-N 3.28Å; H714-L716 PolarHBondContact O-N 2.9Å; H714-R717 WeakPolarHBondContact O-CA 3.45Å; H714-R717 WeakPolarHBondContact O-CB 3.44Å; H714-R717 PolarHBondContact O-N 3.25Å; H714-I718 WeakPolarHBondContact O-CG1 3.42Å; H714-I718 PolarHBondContact O-N 2.94Å |
| 715 | V | 31.5 | Very low | 29.4 | Very low | 92 Ų | 92 | 107.1 Ų | 107.1 | 56% | 0.558 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -60.6 | -38.8 | 176.4 | -178.6 | 0 | 0 | 0 | 0 | 111.2 | F711 Y719 | F711-V715 PolarHBondContact O-N 3.04Å; V715-Y719 PolarHBondContact O-N 3.05Å |
| 716 | L | 30.5 | Very low | 29.3 | Very low | 104 Ų | 104 | 105.8 Ų | 105.8 | 55% | 0.545 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -71.4 | -30.9 | 173.1 | -70.2 | 174.4 | 0 | 0 | 0 | 113.2 | N712 H714 Y719 E720 | N712-L716 VanDerWaalsContact O-CB 3.25Å; N712-L716 WeakPolarHBondContact O-CB 3.46Å; N712-L716 WeakPolarHBondContact O-CD1 3.44Å; N712-L716 WeakPolarHBondContact O-CG 3.49Å; N712-L716 PolarHBondContact O-N 3.42Å; H714-L716 VanDerWaalsContact C-N 3.28Å; H714-L716 PolarHBondContact O-N 2.9Å; L716-Y719 CarbonylContact O-C 3.59Å; L716-Y719 WeakPolarHBondContact O-CB 3.18Å; L716-Y719 PolarHBondContact O-N 3.41Å; L716-E720 PolarHBondContact O-N 3.24Å |
| 717 | R | 29.9 | Very low | 29.1 | Very low | 152 Ų | 152 | 102.7 Ų | 102.7 | 57% | 0.574 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -69.1 | -39.9 | 173.2 | -91.6 | -179.7 | 163.5 | -167.5 | -5 | 113 | S713 H714 Y719 E720 N721 | S713-R717 VanDerWaalsContact O-CB 3.25Å; S713-R717 WeakPolarHBondContact O-CB 3.03Å; S713-R717 VanDerWaalsContact O-CG 3.31Å; S713-R717 WeakPolarHBondContact O-CG 3.28Å; S713-R717 PolarHBondContact O-N 3.4Å; H714-R717 WeakPolarHBondContact O-CA 3.45Å; H714-R717 WeakPolarHBondContact O-CB 3.44Å; H714-R717 PolarHBondContact O-N 3.25Å; R717-Y719 PolarHBondContact O-N 3Å; R717-E720 PolarHBondContact O-N 3.39Å; R717-N721 VanDerWaalsContact O-CB 3.22Å; R717-N721 WeakPolarHBondContact O-CB 3.44Å; R717-N721 PolarHBondContact O-N 3.31Å; R717-N721 PolarHBondContact O-ND2 2.96Å |
| 718 | I | 31.1 | Very low | 28.6 | Very low | 46 Ų | 46 | 99.9 Ų | 99.9 | 24% | 0.236 | 55% | 0.548 | C | S | . | . | H | α-helix | trans | -60.1 | -38.7 | 172.6 | -63.8 | 165.4 | 0 | 0 | 0 | 109.2 | E641 H714 T722 | E641-I718 WeakPolarHBondContact OE2-CD1 3.36Å; H714-I718 WeakPolarHBondContact O-CG1 3.42Å; H714-I718 PolarHBondContact O-N 2.94Å; I718-T722 WeakPolarHBondContact O-CB 3.42Å; I718-T722 WeakPolarHBondContact O-CG2 3.3Å; I718-T722 PolarHBondContact O-N 3.09Å; I718-T722 PolarHBondContact O-OG1 3.02Å |
| 719 | Y | 32.1 | Very low | 28.5 | Very low | 127 Ų | 127 | 100.2 Ų | 100.2 | 50% | 0.498 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66.1 | -46.3 | 171.5 | -108.9 | -85.6 | 0 | 0 | 0 | 114.2 | V715 L716 R717 T722 L723 | V715-Y719 PolarHBondContact O-N 3.05Å; L716-Y719 CarbonylContact O-C 3.59Å; L716-Y719 WeakPolarHBondContact O-CB 3.18Å; L716-Y719 PolarHBondContact O-N 3.41Å; R717-Y719 PolarHBondContact O-N 3Å; Y719-T722 WeakPolarHBondContact CA-OG1 3.46Å; Y719-T722 PolarHBondContact O-OG1 2.9Å; Y719-L723 HydrophobicContact CD1-CD1 4.34Å; Y719-L723 VanDerWaalsContact O-CB 3.28Å; Y719-L723 WeakPolarHBondContact O-CB 3.4Å; Y719-L723 WeakPolarHBondContact O-CD1 3.32Å; Y719-L723 WeakPolarHBondContact O-CG 3.21Å; Y719-L723 PolarHBondContact O-N 3.01Å |
| 720 | E | 29.3 | Very low | 28.1 | Very low | 120 Ų | 120 | 100.3 Ų | 100.3 | 56% | 0.561 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -67.1 | -39.8 | 178.6 | -76.6 | -170.7 | 142.1 | 0 | 0 | 111.7 | L716 R717 L723 Q724 | L716-E720 PolarHBondContact O-N 3.24Å; R717-E720 PolarHBondContact O-N 3.39Å; E720-L723 CarbonylContact O-C 3.56Å; E720-L723 PolarHBondContact O-N 2.85Å; E720-Q724 WeakPolarHBondContact O-CB 3.47Å; E720-Q724 WeakPolarHBondContact O-CG 3.45Å; E720-Q724 PolarHBondContact O-N 3Å |
| 721 | N | 29.2 | Very low | 27.7 | Very low | 98 Ų | 98 | 98.4 Ų | 98.4 | 52% | 0.524 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.5 | -41.8 | 177.3 | -68.2 | -9.2 | 0 | 0 | 0 | 111.6 | R717 Q724 A725 | R717-N721 VanDerWaalsContact O-CB 3.22Å; R717-N721 WeakPolarHBondContact O-CB 3.44Å; R717-N721 PolarHBondContact O-N 3.31Å; R717-N721 PolarHBondContact O-ND2 2.96Å; N721-Q724 PolarHBondContact O-N 3.16Å; N721-A725 WeakPolarHBondContact O-CB 3.44Å; N721-A725 PolarHBondContact O-N 3.35Å |
| 722 | T | 29.4 | Very low | 27.5 | Very low | 44 Ų | 44 | 99.5 Ų | 99.5 | 27% | 0.27 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -69.3 | -33.2 | 174 | 50 | 0 | 0 | 0 | 0 | 112.4 | L656 I718 Y719 A725 L726 | L656-T722 HydrophobicContact CD2-CG2 4.02Å; I718-T722 WeakPolarHBondContact O-CB 3.42Å; I718-T722 WeakPolarHBondContact O-CG2 3.3Å; I718-T722 PolarHBondContact O-N 3.09Å; I718-T722 PolarHBondContact O-OG1 3.02Å; Y719-T722 WeakPolarHBondContact CA-OG1 3.46Å; Y719-T722 PolarHBondContact O-OG1 2.9Å; T722-A725 PolarHBondContact O-N 2.73Å; T722-L726 VanDerWaalsContact O-CB 3.29Å; T722-L726 WeakPolarHBondContact O-CB 3.45Å; T722-L726 WeakPolarHBondContact O-CG 3.35Å; T722-L726 PolarHBondContact O-N 3.02Å |
| 723 | L | 27.8 | Very low | 27.1 | Very low | 86 Ų | 86 | 102.6 Ų | 102.6 | 45% | 0.45 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -71.1 | -28.1 | 171.4 | -74.5 | 168.8 | 0 | 0 | 0 | 113.4 | Y719 E720 P730 | Y719-L723 HydrophobicContact CD1-CD1 4.34Å; Y719-L723 VanDerWaalsContact O-CB 3.28Å; Y719-L723 WeakPolarHBondContact O-CB 3.4Å; Y719-L723 WeakPolarHBondContact O-CD1 3.32Å; Y719-L723 WeakPolarHBondContact O-CG 3.21Å; Y719-L723 PolarHBondContact O-N 3.01Å; E720-L723 CarbonylContact O-C 3.56Å; E720-L723 PolarHBondContact O-N 2.85Å; L723-P730 HydrophobicContact CD2-CG 4.1Å |
| 724 | Q | 28.8 | Very low | 26.7 | Very low | 159 Ų | 159 | 105.4 Ų | 105.4 | 74% | 0.743 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -77 | -36 | 171.8 | -76.2 | -175.2 | 10.1 | 0 | 0 | 112.4 | E720 N721 L726 | E720-Q724 WeakPolarHBondContact O-CB 3.47Å; E720-Q724 WeakPolarHBondContact O-CG 3.45Å; E720-Q724 PolarHBondContact O-N 3Å; N721-Q724 PolarHBondContact O-N 3.16Å; Q724-L726 VanDerWaalsContact C-N 3.29Å; Q724-L726 PolarHBondContact O-N 3.45Å |
| 725 | A | 28.1 | Very low | 26.3 | Very low | 81 Ų | 81 | 104.2 Ų | 104.2 | 67% | 0.669 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -68.6 | -27.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | N721 T722 G727 | N721-A725 WeakPolarHBondContact O-CB 3.44Å; N721-A725 PolarHBondContact O-N 3.35Å; T722-A725 PolarHBondContact O-N 2.73Å; A725-G727 PolarHBondContact O-N 2.94Å |
| 726 | L | 25.4 | Very low | 25.8 | Very low | 117 Ų | 117 | 104.8 Ų | 104.8 | 61% | 0.613 | 60% | 0.597 | S | S | * | * | trans | -96.8 | 84.4 | 177.7 | -67 | 171.6 | 0 | 0 | 0 | 111 | T722 Q724 S728 | T722-L726 VanDerWaalsContact O-CB 3.29Å; T722-L726 WeakPolarHBondContact O-CB 3.45Å; T722-L726 WeakPolarHBondContact O-CG 3.35Å; T722-L726 PolarHBondContact O-N 3.02Å; Q724-L726 VanDerWaalsContact C-N 3.29Å; Q724-L726 PolarHBondContact O-N 3.45Å; L726-S728 PolarHBondContact O-N 3.4Å | ||
| 727 | G | 23.4 | Very low | 25.3 | Very low | 79 Ų | 79 | 105.1 Ų | 105.1 | 81% | 0.814 | 61% | 0.607 | S | S | * | * | trans | -65.6 | 45.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | A725 | A725-G727 PolarHBondContact O-N 2.94Š| ||
| 728 | S | 21.5 | Very low | 24.9 | Very low | 96 Ų | 96 | 102.5 Ų | 102.5 | 67% | 0.671 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -153.1 | 98.1 | -178.6 | -76.4 | 0 | 0 | 0 | 0 | 108.8 | L726 | L726-S728 PolarHBondContact O-N 3.4Š|
| 729 | P | 22.4 | Very low | 24.4 | Very low | 125 Ų | 125 | 105.6 Ų | 105.6 | 81% | 0.812 | 64% | 0.639 | S | S | * | * | trans | -60.8 | 134.1 | -169.9 | 21.8 | -32.5 | 0 | 0 | 0 | 112 | ||||
| 730 | P | 22.3 | Very low | 23.9 | Very low | 96 Ų | 96 | 108 Ų | 108 | 62% | 0.623 | 66% | 0.66 | S | S | * | * | trans | -63.8 | 148.3 | -173.7 | 24.3 | -33.8 | 0 | 0 | 0 | 112.4 | L723 Q732 | L723-P730 HydrophobicContact CD2-CG 4.1Å; P730-Q732 PolarHBondContact O-N 3.06Å | ||
| 731 | A | 22.1 | Very low | 23.5 | Very low | 70 Ų | 70 | 105 Ų | 105 | 58% | 0.579 | 66% | 0.662 | S | S | * | * | trans | -68.7 | 87.9 | -164.9 | 0 | 0 | 0 | 0 | 0 | 114 | Q733 S734 | A731-Q733 PolarHBondContact O-N 3.26Å; A731-S734 PolarHBondContact O-OG 3.45Å | ||
| 732 | Q | 21.4 | Very low | 23 | Very low | 140 Ų | 140 | 109.2 Ų | 109.2 | 65% | 0.654 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | 11.9 | -175.5 | -150.8 | 176.5 | 10.9 | 0 | 0 | 115.9 | P730 | P730-Q732 PolarHBondContact O-N 3.06Š|
| 733 | Q | 22.4 | Very low | 22.7 | Very low | 186 Ų | 186 | 112.9 Ų | 112.9 | 87% | 0.869 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102 | -1 | -179.2 | -67.2 | -168.8 | -2.2 | 0 | 0 | 114.7 | A731 | A731-Q733 PolarHBondContact O-N 3.26Š|
| 734 | S | 22.2 | Very low | 22.3 | Very low | 109 Ų | 109 | 113.7 Ų | 113.7 | 76% | 0.762 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -14.4 | 175 | 51.7 | 0 | 0 | 0 | 0 | 114.6 | A731 | A731-S734 PolarHBondContact O-OG 3.45Š|
| 735 | A | 21.1 | Very low | 22.1 | Very low | 61 Ų | 61 | 114 Ų | 114 | 50% | 0.504 | 70% | 0.703 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99.7 | -51.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | S737 | A735-S737 PolarHBondContact O-N 2.84Š|
| 736 | N | 21.4 | Very low | 21.6 | Very low | 105 Ų | 105 | 114.8 Ų | 114.8 | 56% | 0.561 | 70% | 0.703 | S | S | * | * | trans | -88.6 | 69.9 | -170.8 | -70.6 | -4.3 | 0 | 0 | 0 | 112.6 | Y777 | N736-Y777 PolarHBondContact OD1-OH 3.36Š| ||
| 737 | S | 20.9 | Very low | 21.5 | Very low | 110 Ų | 110 | 118.8 Ų | 118.8 | 77% | 0.769 | 71% | 0.71 | S | S | * | * | trans | -132.4 | 37.4 | 168.8 | 69.8 | 0 | 0 | 0 | 0 | 114.1 | A735 | A735-S737 PolarHBondContact O-N 2.84Š| ||
| 738 | S | 21.2 | Very low | 21.4 | Very low | 97 Ų | 97 | 121.5 Ų | 121.5 | 68% | 0.678 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -133.3 | 150.9 | 164 | 46.5 | 0 | 0 | 0 | 0 | 110 | ||
| 739 | S | 21 | Very low | 21.4 | Very low | 112 Ų | 112 | 123.6 Ų | 123.6 | 78% | 0.783 | 71% | 0.705 | S | S | * | * | trans | 43.2 | 78.3 | 176.4 | 58.6 | 0 | 0 | 0 | 0 | 116.9 | G741 | S739-G741 VanDerWaalsContact C-N 3.35Š| ||
| 740 | N | 21.7 | Very low | 21.3 | Very low | 177 Ų | 177 | 122.5 Ų | 122.5 | 95% | 0.947 | 70% | 0.701 | S | S | * | * | trans | -98.5 | 74.9 | 136.7 | -118.7 | -3 | 0 | 0 | 0 | 107.5 | R742 | N740-R742 PolarHBondContact O-N 3.32Š| ||
| 741 | G | 20.5 | Very low | 21.4 | Very low | 58 Ų | 58 | 126.1 Ų | 126.1 | 60% | 0.598 | 71% | 0.709 | S | S | * | * | trans | -70.9 | 121.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108 | S739 V743 | S739-G741 VanDerWaalsContact C-N 3.35Å; G741-V743 PolarHBondContact O-N 3.27Å | ||
| 742 | R | 18.4 | Very low | 21.4 | Very low | 185 Ų | 185 | 129.3 Ų | 129.3 | 70% | 0.698 | 72% | 0.717 | S | S | * | * | trans | -61.1 | 116.7 | -179.1 | 178.2 | -177.4 | 177.2 | 153.4 | 4.7 | 110.1 | N740 D744 | N740-R742 PolarHBondContact O-N 3.32Å; R742-D744 WeakPolarHBondContact CG-OD2 3.24Å; R742-D744 IonicContact CZ-OD1 3.06Å; R742-D744 VanDerWaalsContact CZ-OD1 3.3Å; R742-D744 IonicContact CZ-OD2 3.18Å; R742-D744 VanDerWaalsContact NE-CG 3.33Å; R742-D744 IonicContact NE-OD1 2.67Å; R742-D744 PolarHBondContact NE-OD1 3.22Å; R742-D744 IonicContact NE-OD2 3.71Å; R742-D744 PolarHBondContact NE-OD2 2.9Å; R742-D744 IonicContact NH2-OD1 3.88Å; R742-D744 PolarHBondContact NH2-OD1 2.98Å | ||
| 743 | V | 23 | Very low | 21.4 | Very low | 121 Ų | 121 | 129 Ų | 129 | 73% | 0.733 | 72% | 0.719 | S | S | * | * | trans | -114.2 | 100.2 | 168 | 179.3 | 0 | 0 | 0 | 0 | 106.9 | G741 L745 | G741-V743 PolarHBondContact O-N 3.27Å; V743-L745 HydrophobicContact CG1-CG 4.48Å; V743-L745 PolarHBondContact O-N 3.16Å | ||
| 744 | D | 19.6 | Very low | 21.5 | Very low | 104 Ų | 104 | 131.3 Ų | 131.3 | 56% | 0.556 | 72% | 0.72 | S | S | * | * | trans | -72.1 | 124.5 | 174.9 | -57.4 | -89.4 | 0 | 0 | 0 | 109.3 | R742 | R742-D744 WeakPolarHBondContact CG-OD2 3.24Å; R742-D744 IonicContact CZ-OD1 3.06Å; R742-D744 VanDerWaalsContact CZ-OD1 3.3Å; R742-D744 IonicContact CZ-OD2 3.18Å; R742-D744 VanDerWaalsContact NE-CG 3.33Å; R742-D744 IonicContact NE-OD1 2.67Å; R742-D744 PolarHBondContact NE-OD1 3.22Å; R742-D744 IonicContact NE-OD2 3.71Å; R742-D744 PolarHBondContact NE-OD2 2.9Å; R742-D744 IonicContact NH2-OD1 3.88Å; R742-D744 PolarHBondContact NH2-OD1 2.98Å | ||
| 745 | L | 23.6 | Very low | 21.4 | Very low | 166 Ų | 166 | 133.9 Ų | 133.9 | 87% | 0.869 | 72% | 0.72 | S | S | * | * | trans | -115 | 106.2 | 170.5 | -73.7 | 177 | 0 | 0 | 0 | 109.5 | V743 | V743-L745 HydrophobicContact CG1-CG 4.48Å; V743-L745 PolarHBondContact O-N 3.16Å | ||
| 746 | S | 19.2 | Very low | 21.3 | Very low | 97 Ų | 97 | 140.4 Ų | 140.4 | 68% | 0.678 | 73% | 0.732 | S | S | * | * | trans | -107.8 | 168.9 | 169.6 | 56.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 747 | R | 21.8 | Very low | 21.4 | Very low | 200 Ų | 200 | 143 Ų | 143 | 76% | 0.755 | 74% | 0.74 | S | S | * | * | trans | 73.9 | 152 | 172.9 | -44.4 | -178.8 | 93.8 | 149.5 | 10.9 | 114.6 | ||||
| 748 | E | 21.8 | Very low | 21.6 | Very low | 136 Ų | 136 | 145.8 Ų | 145.8 | 64% | 0.636 | 75% | 0.746 | S | S | * | * | cis | -156.9 | 154.6 | -18.9 | -117.5 | 153.8 | -162.6 | 0 | 0 | 110.7 | ||||
| 749 | N | 20.4 | Very low | 21.6 | Very low | 140 Ų | 140 | 148.7 Ų | 148.7 | 75% | 0.749 | 75% | 0.752 | S | S | * | * | trans | 6.4 | 122.1 | 152.1 | -63.1 | -22.7 | 0 | 0 | 0 | 121.7 | ||||
| 750 | S | 21.8 | Very low | 21.7 | Very low | 102 Ų | 102 | 150 Ų | 150 | 71% | 0.713 | 75% | 0.75 | S | S | * | * | 83.6 | 166.1 | 119.6 | 79.9 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 751 | Q | 24 | Very low | 21.8 | Very low | 172 Ų | 172 | 147.2 Ų | 147.2 | 80% | 0.804 | 74% | 0.735 | S | S | * | * | trans | 72.4 | 115 | 177.3 | -49.8 | -163.6 | 22.8 | 0 | 0 | 114.9 | ||||
| 752 | N | 21.6 | Very low | 21.9 | Very low | 138 Ų | 138 | 152 Ų | 152 | 74% | 0.738 | 74% | 0.741 | S | S | * | * | cis | 91.5 | 118.9 | 49.8 | -80.3 | -10.6 | 0 | 0 | 0 | 114.4 | ||||
| 753 | N | 21.9 | Very low | 22.2 | Very low | 132 Ų | 132 | 149.7 Ų | 149.7 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | trans | 61.1 | 99.5 | 141.3 | -57.5 | -17.3 | 0 | 0 | 0 | 120.4 | ||||
| 754 | R | 23.5 | Very low | 22.2 | Very low | 236 Ų | 236 | 148.2 Ų | 148.2 | 89% | 0.891 | 74% | 0.738 | S | S | * | * | -157.9 | 133.9 | 120.8 | -90.4 | 131.9 | -164.1 | -143.2 | 3.6 | 106.9 | |||||
| 755 | H | 21.5 | Very low | 22.4 | Very low | 163 Ų | 163 | 150.1 Ų | 150.1 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | 57.7 | 135.7 | 62.1 | -70.1 | -45.6 | 0 | 0 | 0 | 112.9 | |||||
| 756 | R | 19.1 | Very low | 22.5 | Very low | 198 Ų | 198 | 150 Ų | 150 | 75% | 0.747 | 75% | 0.748 | S | S | * | * | cis | -166.8 | 174.6 | -17.4 | -160 | 179.3 | -169.1 | 169.9 | 1.3 | 105.8 | ||||
| 757 | E | 22.9 | Very low | 22.6 | Very low | 160 Ų | 160 | 150.9 Ų | 150.9 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | trans | 66.5 | 153.3 | 176.9 | -63.7 | 120.4 | -122.2 | 0 | 0 | 114.2 | ||||
| 758 | L | 24.5 | Very low | 22.7 | Very low | 168 Ų | 168 | 148 Ų | 148 | 88% | 0.88 | 75% | 0.749 | S | S | * | * | cis | -117.8 | 162.1 | 10.5 | -71.6 | 157.4 | 0 | 0 | 0 | 112.6 | ||||
| 759 | I | 21.4 | Very low | 22.8 | Very low | 158 Ų | 158 | 148.3 Ų | 148.3 | 81% | 0.81 | 76% | 0.756 | S | S | * | * | trans | -123.6 | 133.1 | 168.7 | -64.5 | 174.1 | 0 | 0 | 0 | 107.9 | ||||
| 760 | N | 23 | Very low | 22.8 | Very low | 139 Ų | 139 | 149.2 Ų | 149.2 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | trans | 155.6 | 141.3 | 164.8 | -83.9 | -11.7 | 0 | 0 | 0 | 106.8 | ||||
| 761 | N | 24.4 | Very low | 22.8 | Very low | 118 Ų | 118 | 149.6 Ų | 149.6 | 63% | 0.631 | 76% | 0.763 | S | S | * | * | cis | -152.2 | 158.7 | -0.7 | -102.1 | -28.4 | 0 | 0 | 0 | 109.9 | ||||
| 762 | H | 23.1 | Very low | 22.8 | Very low | 158 Ų | 158 | 147.9 Ų | 147.9 | 73% | 0.731 | 76% | 0.759 | S | S | * | * | trans | 10.4 | 126.8 | 141.8 | -66.6 | -76.4 | 0 | 0 | 0 | 117.8 | ||||
| 763 | N | 24.5 | Very low | 22.8 | Very low | 138 Ų | 138 | 153.5 Ų | 153.5 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | cis | -163.8 | 160.3 | 38.2 | -90.8 | -32.7 | 0 | 0 | 0 | 114.5 | ||||
| 764 | S | 22.6 | Very low | 22.7 | Very low | 90 Ų | 90 | 153.4 Ų | 153.4 | 63% | 0.629 | 77% | 0.768 | S | S | * | * | trans | 29.2 | 120 | 149.7 | 63 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 765 | D | 23.8 | Very low | 22.6 | Very low | 144 Ų | 144 | 149.9 Ų | 149.9 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | 65.6 | 87.5 | 128.8 | -47.9 | -21.4 | 0 | 0 | 0 | 120.3 | |||||
| 766 | N | 25.3 | Very low | 22.6 | Very low | 162 Ų | 162 | 153.1 Ų | 153.1 | 87% | 0.866 | 77% | 0.771 | S | S | * | * | -160 | 152.3 | 100.1 | -107.2 | -58.9 | 0 | 0 | 0 | 115.8 | |||||
| 767 | V | 21.9 | Very low | 22.7 | Very low | 117 Ų | 117 | 149 Ų | 149 | 71% | 0.709 | 76% | 0.756 | S | S | * | * | trans | -37.6 | 141.3 | -177.6 | 177.7 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 768 | N | 23.1 | Very low | 22.7 | Very low | 138 Ų | 138 | 152.2 Ų | 152.2 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | trans | 7 | 147.6 | 143.7 | -52.3 | -2.9 | 0 | 0 | 0 | 118.9 | ||||
| 769 | D | 23.5 | Very low | 22.6 | Very low | 144 Ų | 144 | 148.7 Ų | 148.7 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | cis | -152.9 | 166 | 40.3 | -137 | -27.3 | 0 | 0 | 0 | 115.6 | ||||
| 770 | N | 22.1 | Very low | 22.9 | Very low | 159 Ų | 159 | 146 Ų | 146 | 85% | 0.85 | 74% | 0.742 | S | S | * | * | trans | -100.4 | 122.3 | 175 | -75.7 | -82.4 | 0 | 0 | 0 | 111.3 | ||||
| 771 | S | 22.2 | Very low | 23.1 | Very low | 110 Ų | 110 | 145.4 Ų | 145.4 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | trans | -143.7 | 118.2 | 160.7 | 58.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 772 | D | 22 | Very low | 23.8 | Very low | 135 Ų | 135 | 142.2 Ų | 142.2 | 72% | 0.722 | 74% | 0.735 | S | S | * | * | trans | 42.4 | 101.4 | 147.2 | -67.8 | -10.2 | 0 | 0 | 0 | 120.6 | I774 | D772-I774 HydrophobicContact CB-CD1 3.95Å; D772-I774 HydrophobicContact CB-CG1 4.03Å; D772-I774 PolarHBondContact O-N 2.93Å | ||
| 773 | R | 22 | Very low | 24.2 | Very low | 256 Ų | 256 | 138.5 Ų | 138.5 | 97% | 0.966 | 72% | 0.723 | S | S | * | * | trans | -64.3 | 64.5 | 148.6 | -70.8 | 176.4 | 164.3 | -179.7 | -4.3 | 111.7 | ||||
| 774 | I | 20 | Very low | 24.7 | Very low | 131 Ų | 131 | 136 Ų | 136 | 67% | 0.672 | 71% | 0.71 | S | S | * | * | trans | -76.1 | 129.6 | 165.7 | -75.7 | 162 | 0 | 0 | 0 | 109.1 | D772 R776 | D772-I774 HydrophobicContact CB-CD1 3.95Å; D772-I774 HydrophobicContact CB-CG1 4.03Å; D772-I774 PolarHBondContact O-N 2.93Å; I774-R776 PolarHBondContact O-N 3.19Å; I774-R776 VanDerWaalsContact O-N 3.1Å | ||
| 775 | I | 21.7 | Very low | 25.7 | Very low | 161 Ų | 161 | 137.6 Ų | 137.6 | 83% | 0.826 | 70% | 0.703 | S | S | * | * | trans | -68.1 | 108.4 | -173 | -61.9 | 170.9 | 0 | 0 | 0 | 109.4 | Y777 | I775-Y777 PolarHBondContact O-N 2.7Å; I775-Y777 VanDerWaalsContact O-N 3.07Å | ||
| 776 | R | 20.6 | Very low | 26.6 | Very low | 231 Ų | 231 | 132.2 Ų | 132.2 | 87% | 0.872 | 67% | 0.673 | S | S | * | * | trans | -66.9 | 105.7 | 178.6 | -63.7 | -171.2 | -174.6 | -157.4 | 3.2 | 110.6 | I774 R778 | I774-R776 PolarHBondContact O-N 3.19Å; I774-R776 VanDerWaalsContact O-N 3.1Å; R776-R778 PolarHBondContact O-N 2.93Å; R776-R778 VanDerWaalsContact O-N 3.11Å | ||
| 777 | Y | 22.3 | Very low | 27.5 | Very low | 112 Ų | 112 | 125 Ų | 125 | 44% | 0.439 | 63% | 0.634 | S | S | . | * | trans | -64.2 | 107.8 | 164 | 176.5 | -92.8 | 0 | 0 | 0 | 109.2 | N736 I775 P779 | N736-Y777 PolarHBondContact OD1-OH 3.36Å; I775-Y777 PolarHBondContact O-N 2.7Å; I775-Y777 VanDerWaalsContact O-N 3.07Å; Y777-P779 HydrophobicContact CE1-CB 4.18Å; Y777-P779 WeakPolarHBondContact O-CD 3.33Å | ||
| 778 | R | 23.9 | Very low | 28.9 | Very low | 227 Ų | 227 | 119.7 Ų | 119.7 | 86% | 0.857 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 118.6 | 165.4 | -89.7 | -179.7 | 165.3 | 157.6 | -5.3 | 108.5 | R776 | R776-R778 PolarHBondContact O-N 2.93Å; R776-R778 VanDerWaalsContact O-N 3.11Å |
| 779 | P | 21.5 | Very low | 30.4 | Very low | 94 Ų | 94 | 114.2 Ų | 114.2 | 61% | 0.61 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 149.6 | 161.5 | 28.5 | -33.1 | 0 | 0 | 0 | 109.6 | Y777 | Y777-P779 HydrophobicContact CE1-CB 4.18Å; Y777-P779 WeakPolarHBondContact O-CD 3.33Å |
| 780 | P | 26.5 | Very low | 31.9 | Very low | 102 Ų | 102 | 108.9 Ų | 108.9 | 66% | 0.662 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 158.6 | 176.2 | 27.6 | -34.4 | 0 | 0 | 0 | 111.8 | ||
| 781 | P | 29.1 | Very low | 33.1 | Very low | 127 Ų | 127 | 105.9 Ų | 105.9 | 83% | 0.825 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -58.5 | 152.3 | -176 | 23.5 | -34.1 | 0 | 0 | 0 | 113.2 | V783 | P781-V783 PolarHBondContact O-N 2.93Š|
| 782 | A | 38.3 | Very low | 34.5 | Very low | 51 Ų | 51 | 103 Ų | 103 | 42% | 0.421 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 128 | -161.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 783 | V | 31.6 | Very low | 36 | Very low | 79 Ų | 79 | 98.5 Ų | 98.5 | 48% | 0.479 | 50% | 0.502 | S | S | . | . | trans | -79.7 | 114.7 | 159 | 179.1 | 0 | 0 | 0 | 0 | 107.4 | E695 P781 Y785 | E695-V783 HydrophobicContact CG-CG1 3.47Å; E695-V783 VanDerWaalsContact CG-CG1 3.47Å; E695-V783 WeakPolarHBondContact OE1-CG1 3.33Å; P781-V783 PolarHBondContact O-N 2.93Å; V783-Y785 HydrophobicContact CB-CE2 4.34Å; V783-Y785 HydrophobicContact CG1-CD2 4.38Å; V783-Y785 HydrophobicContact CG1-CE1 4.45Å; V783-Y785 HydrophobicContact CG1-CE2 3.67Å | ||
| 784 | L | 34.6 | Very low | 37.5 | Very low | 87 Ų | 87 | 87.5 Ų | 87.5 | 46% | 0.455 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 152 | 176.1 | -70.3 | 164.3 | 0 | 0 | 0 | 110.1 | V696 | V696-L784 HydrophobicContact CB-CB 3.94Å; V696-L784 HydrophobicContact CG1-CB 4.4Å; V696-L784 PolarHBondContact N-O 3.09Å; V696-L784 WeakPolarHBondContact O-CB 3.17Å; V696-L784 PolarHBondContact O-N 3.34Å |
| 785 | Y | 43.4 | Very low | 38.9 | Very low | 122 Ų | 122 | 81.8 Ų | 81.8 | 48% | 0.478 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 126.1 | 172.8 | -69 | -83.5 | 0 | 0 | 0 | 109.8 | R694 E695 V783 | R694-Y785 CarbonylContact O-C 3.55Å; R694-Y785 VanDerWaalsContact O-CA 3.29Å; R694-Y785 WeakPolarHBondContact O-CA 3.47Å; E695-Y785 HydrophobicContact CB-CD1 4.13Å; E695-Y785 HydrophobicContact CB-CE1 3.8Å; E695-Y785 HydrophobicContact CG-CD1 4.45Å; E695-Y785 HydrophobicContact CG-CE1 3.89Å; V783-Y785 HydrophobicContact CB-CE2 4.34Å; V783-Y785 HydrophobicContact CG1-CD2 4.38Å; V783-Y785 HydrophobicContact CG1-CE1 4.45Å; V783-Y785 HydrophobicContact CG1-CE2 3.67Å |
| 786 | E | 42.8 | Very low | 40.2 | Very low | 32 Ų | 32 | 76.4 Ų | 76.4 | 15% | 0.15 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 145.5 | 168.6 | 65.1 | 173.4 | -173.6 | 0 | 0 | 111 | W693 R694 V696 I788 P795 | W693-E786 WeakPolarHBondContact CA-O 3.37Å; R694-E786 HydrophobicContact CB-CG 3.84Å; R694-E786 VanDerWaalsContact CD-OE1 3.31Å; R694-E786 WeakPolarHBondContact CD-OE1 3.18Å; R694-E786 IonicContact CZ-OE1 3.69Å; R694-E786 PolarHBondContact N-O 3.19Å; R694-E786 IonicContact NE-OE1 2.71Å; R694-E786 IonicContact NH1-OE1 3.74Å; R694-E786 PolarHBondContact NH1-OE1 3.09Å; R694-E786 PolarHBondContact O-N 3.13Å; V696-E786 HydrophobicContact CG2-CB 3.93Å; V696-E786 HydrophobicContact CG2-CG 3.77Å; E786-I788 HydrophobicContact CG-CD1 4.41Å; E786-I788 HydrophobicContact CG-CG1 4.18Å; E786-P795 WeakPolarHBondContact OE2-CB 3.26Å; E786-P795 WeakPolarHBondContact OE2-CG 3.41Å |
| 787 | I | 45.5 | Very low | 41.5 | Very low | 9 Ų | 9 | 71 Ų | 71 | 5% | 0.046 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 128.9 | 169.5 | -66.8 | 174.6 | 0 | 0 | 0 | 108.5 | I631 V647 F657 A691 W693 P795 F796 | I631-I787 HydrophobicContact CD1-CG2 4.37Å; V647-I787 HydrophobicContact CB-CD1 4.36Å; V647-I787 HydrophobicContact CG1-CD1 4.09Å; V647-I787 HydrophobicContact CG2-CD1 3.99Å; F657-I787 HydrophobicContact CE2-CD1 3.66Å; F657-I787 HydrophobicContact CE2-CG1 4.37Å; F657-I787 HydrophobicContact CZ-CB 4.44Å; F657-I787 HydrophobicContact CZ-CD1 3.71Å; F657-I787 HydrophobicContact CZ-CG1 3.91Å; A691-I787 HydrophobicContact CB-CG2 4.14Å; W693-I787 HydrophobicContact CE3-CD1 4.2Å; W693-I787 HydrophobicContact CE3-CG1 3.6Å; W693-I787 HydrophobicContact CH2-CD1 4.15Å; W693-I787 HydrophobicContact CH2-CG1 4.39Å; W693-I787 HydrophobicContact CZ3-CD1 3.58Å; W693-I787 HydrophobicContact CZ3-CG1 3.53Å; I787-P795 WeakPolarHBondContact O-CA 3.32Å; I787-F796 HydrophobicContact CG2-CB 4.4Å; I787-F796 PolarHBondContact O-N 3.37Å |
| 788 | I | 50.3 | Low | 42.9 | Very low | 7 Ų | 7 | 69 Ų | 69 | 4% | 0.036 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 133.3 | 179.8 | -62.5 | 172.7 | 0 | 0 | 0 | 109.2 | E692 R694 E786 A790 G793 | E692-I788 HydrophobicContact CB-CB 4.47Å; E692-I788 PolarHBondContact N-O 2.88Å; E692-I788 PolarHBondContact O-N 3.44Å; R694-I788 HydrophobicContact CB-CD1 3.6Å; E786-I788 HydrophobicContact CG-CD1 4.41Å; E786-I788 HydrophobicContact CG-CG1 4.18Å; I788-A790 PolarHBondContact O-N 2.81Å; I788-A790 VanDerWaalsContact O-N 3.15Å; I788-G793 VanDerWaalsContact CG2-C 3.44Å; I788-G793 WeakPolarHBondContact CG2-O 3.35Å |
| 789 | H | 54.4 | Low | 44.1 | Very low | 22 Ų | 22 | 59.6 Ų | 59.6 | 10% | 0.102 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 105.2 | 168.3 | 177.7 | -125.2 | 0 | 0 | 0 | 109 | P791 S792 G793 V794 L799 F853 | H789-P791 VanDerWaalsContact C-CD 3.44Å; H789-P791 VanDerWaalsContact C-N 3.34Å; H789-P791 WeakPolarHBondContact NE2-CD 3.47Å; H789-S792 PolarHBondContact ND1-OG 3.18Å; H789-S792 PolarHBondContact O-N 2.93Å; H789-S792 VanDerWaalsContact O-N 3.07Å; H789-G793 PolarHBondContact O-N 3.06Å; H789-V794 PolarHBondContact N-O 2.87Å; H789-V794 VanDerWaalsContact N-O 3.12Å; H789-L799 HydrophobicContact CB-CD1 4.11Å; H789-F853 AromaticContact CE1-CD2 3.81Å; H789-F853 AromaticContact CE1-CE2 3.42Å; H789-F853 VanDerWaalsContact CE1-CE2 3.42Å; H789-F853 WeakPolarHBondContact CE1-CE2 3.41Å; H789-F853 AromaticContact ND1-CE2 3.91Å; H789-F853 AromaticContact NE2-CE2 3.97Å |
| 790 | A | 54.7 | Low | 45.5 | Very low | 33 Ų | 33 | 55.6 Ų | 55.6 | 27% | 0.273 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -34.2 | -166.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | E692 I788 | E692-A790 HydrophobicContact CG-CB 3.98Å; I788-A790 PolarHBondContact O-N 2.81Å; I788-A790 VanDerWaalsContact O-N 3.15Å |
| 791 | P | 47.9 | Very low | 46.6 | Very low | 95 Ų | 95 | 53.2 Ų | 53.2 | 62% | 0.617 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -36 | 174.2 | -22.7 | 35 | 0 | 0 | 0 | 115.2 | H789 | H789-P791 VanDerWaalsContact C-CD 3.44Å; H789-P791 VanDerWaalsContact C-N 3.34Å; H789-P791 WeakPolarHBondContact NE2-CD 3.47Å |
| 792 | S | 51.9 | Low | 47.8 | Very low | 51 Ų | 51 | 48.6 Ų | 48.6 | 36% | 0.357 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | -18.1 | -176.8 | 63.3 | 0 | 0 | 0 | 0 | 114.1 | H789 V794 | H789-S792 PolarHBondContact ND1-OG 3.18Å; H789-S792 PolarHBondContact O-N 2.93Å; H789-S792 VanDerWaalsContact O-N 3.07Å; S792-V794 PolarHBondContact O-N 3.4Å |
| 793 | G | 53.5 | Low | 48.9 | Very low | 39 Ų | 39 | 47 Ų | 47 | 40% | 0.402 | 27% | 0.265 | S | S | . | . | trans | 72.2 | -0.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | I788 H789 | I788-G793 VanDerWaalsContact CG2-C 3.44Å; I788-G793 WeakPolarHBondContact CG2-O 3.35Å; H789-G793 PolarHBondContact O-N 3.06Å | ||
| 794 | V | 52.4 | Low | 49.9 | Very low | 25 Ų | 25 | 45.9 Ų | 45.9 | 15% | 0.152 | 26% | 0.257 | C | S | . | . | trans | -84.1 | 136.5 | -178.8 | -179.5 | 0 | 0 | 0 | 0 | 110.2 | H789 S792 R798 L799 | H789-V794 PolarHBondContact N-O 2.87Å; H789-V794 VanDerWaalsContact N-O 3.12Å; S792-V794 PolarHBondContact O-N 3.4Å; V794-R798 HydrophobicContact CG1-CB 3.86Å; V794-L799 HydrophobicContact CB-CD2 3.86Å; V794-L799 HydrophobicContact CG1-CD2 3.85Å; V794-L799 HydrophobicContact CG1-CG 4.41Å | ||
| 795 | P | 49.1 | Very low | 50.8 | Low | 12 Ų | 12 | 43.8 Ų | 43.8 | 8% | 0.078 | 25% | 0.247 | C | C | . | . | B | Isolated β-bridge | trans | -60.4 | 139.4 | 172.1 | -23.3 | 34.9 | 0 | 0 | 0 | 111.5 | E786 I787 H797 R798 | E786-P795 WeakPolarHBondContact OE2-CB 3.26Å; E786-P795 WeakPolarHBondContact OE2-CG 3.41Å; I787-P795 WeakPolarHBondContact O-CA 3.32Å; P795-H797 VanDerWaalsContact CB-CE1 3.46Å; P795-H797 WeakPolarHBondContact CB-CE1 3.25Å; P795-H797 PolarHBondContact O-N 2.85Å; P795-H797 VanDerWaalsContact O-N 3.07Å; P795-R798 PolarHBondContact O-N 2.83Å |
| 796 | F | 50.3 | Low | 51.1 | Low | 47 Ų | 47 | 40.7 Ų | 40.7 | 21% | 0.206 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -56.6 | -35 | -169.1 | -170.9 | -95.7 | 0 | 0 | 0 | 113.9 | W686 L688 I787 R798 L799 | W686-F796 HydrophobicContact CD2-CZ 4.13Å; W686-F796 HydrophobicContact CE3-CE1 4.09Å; W686-F796 AromaticContact CE3-CZ 3.54Å; W686-F796 HydrophobicContact CE3-CZ 3.54Å; W686-F796 AromaticContact CH2-CE1 3.97Å; W686-F796 HydrophobicContact CH2-CE1 3.97Å; W686-F796 AromaticContact CH2-CZ 3.82Å; W686-F796 HydrophobicContact CH2-CZ 3.82Å; W686-F796 HydrophobicContact CZ2-CZ 4.36Å; W686-F796 AromaticContact CZ3-CE1 3.52Å; W686-F796 HydrophobicContact CZ3-CE1 3.52Å; W686-F796 AromaticContact CZ3-CZ 3.39Å; W686-F796 HydrophobicContact CZ3-CZ 3.39Å; L688-F796 HydrophobicContact CD1-CD2 4.16Å; L688-F796 HydrophobicContact CD1-CE2 3.9Å; I787-F796 HydrophobicContact CG2-CB 4.4Å; I787-F796 PolarHBondContact O-N 3.37Å; F796-R798 PolarHBondContact O-N 2.94Å; F796-L799 HydrophobicContact CD2-CD1 3.63Å; F796-L799 HydrophobicContact CE2-CD1 3.93Å; F796-L799 HydrophobicContact CG-CD1 4.35Å; F796-L799 PolarHBondContact O-N 2.89Å |
| 797 | H | 46.7 | Very low | 50.9 | Low | 119 Ų | 119 | 48.1 Ų | 48.1 | 55% | 0.551 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -70.7 | -11.2 | 179.3 | 65.5 | -93.6 | 0 | 0 | 0 | 114.8 | P795 | P795-H797 VanDerWaalsContact CB-CE1 3.46Å; P795-H797 WeakPolarHBondContact CB-CE1 3.25Å; P795-H797 PolarHBondContact O-N 2.85Å; P795-H797 VanDerWaalsContact O-N 3.07Å |
| 798 | R | 52.7 | Low | 50.7 | Low | 70 Ų | 70 | 54.2 Ų | 54.2 | 26% | 0.264 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -103 | -0.8 | 178.6 | -56.6 | -170 | -178.6 | -163.7 | -10.1 | 113.7 | V794 P795 F796 I859 D860 | V794-R798 HydrophobicContact CG1-CB 3.86Å; P795-R798 PolarHBondContact O-N 2.83Å; F796-R798 PolarHBondContact O-N 2.94Å; R798-I859 PolarHBondContact NH1-O 3.4Å; R798-D860 IonicContact NH1-OD1 3.85Å |
| 799 | L | 49.8 | Very low | 50.5 | Low | 29 Ų | 29 | 54.6 Ų | 54.6 | 15% | 0.152 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 128.8 | 178 | -63 | 171.2 | 0 | 0 | 0 | 109.5 | H789 V794 F796 F853 | H789-L799 HydrophobicContact CB-CD1 4.11Å; V794-L799 HydrophobicContact CB-CD2 3.86Å; V794-L799 HydrophobicContact CG1-CD2 3.85Å; V794-L799 HydrophobicContact CG1-CG 4.41Å; F796-L799 HydrophobicContact CD2-CD1 3.63Å; F796-L799 HydrophobicContact CE2-CD1 3.93Å; F796-L799 HydrophobicContact CG-CD1 4.35Å; F796-L799 PolarHBondContact O-N 2.89Å; L799-F853 HydrophobicContact CB-CD1 4.21Å; L799-F853 HydrophobicContact CB-CE1 4.01Å; L799-F853 HydrophobicContact CD1-CD1 4.48Å; L799-F853 HydrophobicContact CD1-CE1 3.81Å; L799-F853 HydrophobicContact CD1-CZ 4.2Å; L799-F853 HydrophobicContact CD2-CD1 3.87Å; L799-F853 HydrophobicContact CD2-CE1 4.03Å; L799-F853 HydrophobicContact CD2-CG 4.47Å; L799-F853 HydrophobicContact CG-CD1 4.41Å; L799-F853 HydrophobicContact CG-CE1 4.17Å |
| 800 | P | 49.2 | Very low | 50.5 | Low | 10 Ų | 10 | 55 Ų | 55 | 7% | 0.065 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 154.4 | 175.4 | 28.6 | -35.3 | 0 | 0 | 0 | 110.8 | V857 Y861 | P800-V857 HydrophobicContact CG-CG2 4.08Å; P800-Y861 HydrophobicContact CB-CE1 4.12Å |
| 801 | P | 50.6 | Low | 50.7 | Low | 51 Ų | 51 | 55 Ų | 55 | 33% | 0.331 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -55.3 | 154.3 | 171.6 | -25.5 | 35 | 0 | 0 | 0 | 112.8 | I820 R823 W884 | P801-I820 HydrophobicContact CB-CG2 4.2Å; P801-I820 HydrophobicContact CG-CG2 4.02Å; P801-R823 PolarHBondContact O-NH2 3.42Å; P801-W884 HydrophobicContact CG-CZ3 4.5Å |
| 802 | G | 54.7 | Low | 51.2 | Low | 30 Ų | 30 | 54.6 Ų | 54.6 | 31% | 0.309 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 169.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | R823 D850 | G802-R823 VanDerWaalsContact C-NH2 3.33Å; G802-R823 PolarHBondContact O-NH2 3.36Å; G802-D850 VanDerWaalsContact CA-O 3.29Å; G802-D850 WeakPolarHBondContact CA-O 3.34Å |
| 803 | Y | 61.1 | Low | 52 | Low | 17 Ų | 17 | 56.2 Ų | 56.2 | 7% | 0.067 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 141.4 | -179 | -79.6 | -105 | 0 | 0 | 0 | 110.4 | T805 R823 D831 L833 P834 D850 Q852 | Y803-T805 VanDerWaalsContact C-N 3.35Å; Y803-T805 PolarHBondContact O-N 3.07Å; Y803-R823 VanDerWaalsContact CD2-NH2 3.33Å; Y803-R823 VanDerWaalsContact CG-NH1 3.32Å; Y803-R823 VanDerWaalsContact CZ-NH1 3.3Å; Y803-D831 PolarHBondContact OH-O 3.07Å; Y803-L833 PolarHBondContact OH-O 3.02Å; Y803-P834 HydrophobicContact CD1-CB 3.63Å; Y803-P834 HydrophobicContact CD1-CG 3.71Å; Y803-P834 HydrophobicContact CD2-CB 4.02Å; Y803-P834 HydrophobicContact CE1-CB 3.72Å; Y803-P834 VanDerWaalsContact CE1-CD 3.47Å; Y803-P834 HydrophobicContact CE1-CG 4.02Å; Y803-P834 HydrophobicContact CE2-CB 4.12Å; Y803-P834 HydrophobicContact CG-CB 3.79Å; Y803-P834 HydrophobicContact CG-CG 4.18Å; Y803-D850 PolarHBondContact N-O 2.99Å; Y803-Q852 HydrophobicContact CD2-CB 4.31Å; Y803-Q852 HydrophobicContact CE2-CB 3.82Å; Y803-Q852 WeakPolarHBondContact CE2-O 3.44Å |
| 804 | L | 53.1 | Low | 52.6 | Low | 57 Ų | 57 | 57.1 Ų | 57.1 | 30% | 0.298 | 30% | 0.302 | S | S | . | . | trans | -68 | 98.3 | 170.9 | -93.2 | 172 | 0 | 0 | 0 | 107.9 | Y812 Q817 I820 | L804-Y812 HydrophobicContact CB-CD2 4.05Å; L804-Y812 WeakPolarHBondContact O-CD2 3.38Å; L804-Y812 PolarHBondContact O-N 3.24Å; L804-Q817 PolarHBondContact O-NE2 2.71Å; L804-I820 HydrophobicContact CB-CD1 4.09Å; L804-I820 HydrophobicContact CD1-CD1 3.97Å; L804-I820 HydrophobicContact CD1-CG1 3.64Å; L804-I820 HydrophobicContact CG-CD1 3.76Å; L804-I820 HydrophobicContact CG-CG1 3.95Å | ||
| 805 | T | 53.4 | Low | 53.2 | Low | 42 Ų | 42 | 64.2 Ų | 64.2 | 26% | 0.258 | 33% | 0.331 | S | S | . | . | B | Isolated β-bridge | trans | -96.5 | 160 | 170.2 | 53.7 | 0 | 0 | 0 | 0 | 110.6 | Y803 F810 Y812 V847 | Y803-T805 VanDerWaalsContact C-N 3.35Å; Y803-T805 PolarHBondContact O-N 3.07Å; T805-F810 CarbonylContact C-O 3.59Å; T805-F810 VanDerWaalsContact CA-O 3.24Å; T805-F810 WeakPolarHBondContact CA-O 3.49Å; T805-Y812 WeakPolarHBondContact O-CE2 3.39Å; T805-V847 HydrophobicContact CG2-CB 4.25Å; T805-V847 HydrophobicContact CG2-CG2 3.85Å |
| 806 | N | 48.2 | Very low | 53.5 | Low | 57 Ų | 57 | 69.8 Ų | 69.8 | 31% | 0.305 | 35% | 0.35 | S | S | . | . | trans | -88.2 | 177.4 | 162.1 | 69.5 | 26.6 | 0 | 0 | 0 | 110.5 | R808 G809 F810 Y812 | N806-R808 PolarHBondContact O-N 2.95Å; N806-R808 WeakPolarHBondContact OD1-CB 3.31Å; N806-R808 PolarHBondContact OD1-N 2.91Å; N806-G809 PolarHBondContact O-N 3.26Å; N806-F810 PolarHBondContact N-O 3.47Å; N806-F810 PolarHBondContact OD1-N 2.91Å; N806-Y812 HydrophobicContact CB-CE2 4.15Å | ||
| 807 | L | 40.4 | Very low | 54.2 | Low | 189 Ų | 189 | 67.5 Ų | 67.5 | 99% | 0.99 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | 4.6 | -179.3 | -67.2 | 173.2 | 0 | 0 | 0 | 115.9 | ||
| 808 | R | 40.9 | Very low | 55.1 | Low | 137 Ų | 137 | 65.2 Ų | 65.2 | 52% | 0.517 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.4 | -1 | 172.5 | -59 | -179.4 | 179.2 | 172.6 | -1.8 | 113.9 | N806 F810 | N806-R808 PolarHBondContact O-N 2.95Å; N806-R808 WeakPolarHBondContact OD1-CB 3.31Å; N806-R808 PolarHBondContact OD1-N 2.91Å; R808-F810 HydrophobicContact CB-CD2 3.71Å; R808-F810 HydrophobicContact CB-CE2 3.91Å; R808-F810 HydrophobicContact CG-CD2 4.47Å; R808-F810 HydrophobicContact CG-CE2 4.47Å |
| 809 | G | 46.3 | Very low | 55.4 | Low | 15 Ų | 15 | 66.1 Ų | 66.1 | 16% | 0.155 | 34% | 0.339 | C | S | . | . | S | Bend | trans | 84.3 | 3.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | N806 V847 | N806-G809 PolarHBondContact O-N 3.26Å; G809-V847 WeakPolarHBondContact O-CB 3.3Å; G809-V847 VanDerWaalsContact O-CG2 3.29Å; G809-V847 WeakPolarHBondContact O-CG2 3.45Å; G809-V847 PolarHBondContact O-N 3.48Å |
| 810 | F | 54.4 | Low | 55.5 | Low | 31 Ų | 31 | 65.2 Ų | 65.2 | 14% | 0.136 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 136.4 | 172.2 | -66.5 | -72.2 | 0 | 0 | 0 | 110.3 | T805 N806 R808 E844 D845 I846 | T805-F810 CarbonylContact C-O 3.59Å; T805-F810 VanDerWaalsContact CA-O 3.24Å; T805-F810 WeakPolarHBondContact CA-O 3.49Å; N806-F810 PolarHBondContact N-O 3.47Å; N806-F810 PolarHBondContact OD1-N 2.91Å; R808-F810 HydrophobicContact CB-CD2 3.71Å; R808-F810 HydrophobicContact CB-CE2 3.91Å; R808-F810 HydrophobicContact CG-CD2 4.47Å; R808-F810 HydrophobicContact CG-CE2 4.47Å; F810-E844 HydrophobicContact CE1-CB 4.04Å; F810-D845 WeakPolarHBondContact CD1-O 3.25Å; F810-I846 HydrophobicContact CD1-CG1 3.89Å; F810-I846 HydrophobicContact CE1-CD1 4.14Å; F810-I846 HydrophobicContact CE1-CG1 3.47Å; F810-I846 VanDerWaalsContact CE1-CG1 3.47Å; F810-I846 HydrophobicContact CZ-CD1 4.3Å; F810-I846 HydrophobicContact CZ-CG1 4.11Å |
| 811 | P | 58.6 | Low | 55.3 | Low | 33 Ų | 33 | 65.9 Ų | 65.9 | 21% | 0.214 | 34% | 0.338 | C | S | . | . | B | Isolated β-bridge | trans | -72.3 | 135.8 | 177.8 | 29.9 | -29.8 | 0 | 0 | 0 | 110.3 | P834 D845 V847 | P811-P834 HydrophobicContact CB-CG 3.89Å; P811-P834 HydrophobicContact CG-CG 4.2Å; P811-D845 VanDerWaalsContact CD-O 3.24Å; P811-D845 WeakPolarHBondContact CD-O 3.5Å; P811-V847 HydrophobicContact CB-CG2 3.76Å; P811-V847 HydrophobicContact CG-CG2 3.92Å |
| 812 | Y | 58.1 | Low | 55.4 | Low | 86 Ų | 86 | 63.9 Ų | 63.9 | 34% | 0.337 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 145.8 | 161.2 | -79.4 | -76.6 | 0 | 0 | 0 | 109.4 | L804 T805 N806 Q817 | L804-Y812 HydrophobicContact CB-CD2 4.05Å; L804-Y812 WeakPolarHBondContact O-CD2 3.38Å; L804-Y812 PolarHBondContact O-N 3.24Å; T805-Y812 WeakPolarHBondContact O-CE2 3.39Å; N806-Y812 HydrophobicContact CB-CE2 4.15Å; Y812-Q817 WeakPolarHBondContact O-CG 3.45Å; Y812-Q817 PolarHBondContact O-NE2 2.85Å |
| 813 | P | 67.7 | Low | 55.6 | Low | 85 Ų | 85 | 62.5 Ų | 62.5 | 55% | 0.552 | 31% | 0.312 | S | S | * | . | P | Polyproline II helix | trans | -58 | 152.7 | -175.7 | 23 | -34.5 | 0 | 0 | 0 | 111.6 | K815 R816 Q817 | P813-K815 PolarHBondContact O-N 3.44Å; P813-R816 WeakPolarHBondContact O-CA 3.25Å; P813-R816 WeakPolarHBondContact O-CB 3.5Å; P813-R816 PolarHBondContact O-N 3.32Å; P813-Q817 PolarHBondContact O-N 2.96Å |
| 814 | S | 67.1 | Low | 55.4 | Low | 57 Ų | 57 | 65 Ų | 65 | 40% | 0.399 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -49.8 | -32.2 | -175.2 | 53.5 | 0 | 0 | 0 | 0 | 114.3 | R816 Q817 L818 | S814-R816 PolarHBondContact O-N 3.44Å; S814-Q817 PolarHBondContact O-N 2.68Å; S814-Q817 VanDerWaalsContact O-N 3.12Å; S814-L818 WeakPolarHBondContact O-CB 3.42Å; S814-L818 WeakPolarHBondContact O-CG 3.19Å; S814-L818 PolarHBondContact O-N 2.9Å |
| 815 | K | 64.7 | Low | 55.6 | Low | 175 Ų | 175 | 68.4 Ų | 68.4 | 76% | 0.761 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -62.6 | -20.2 | 173.8 | -140.3 | 174.4 | -170.1 | 175.1 | 0 | 115 | P813 | P813-K815 PolarHBondContact O-N 3.44Å |
| 816 | R | 56.1 | Low | 56 | Low | 128 Ų | 128 | 67.5 Ų | 67.5 | 48% | 0.483 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -97.5 | -32.1 | 168.1 | -74.9 | -172.7 | 177.6 | -142.7 | 1.5 | 112.6 | P813 S814 L818 Q819 | P813-R816 WeakPolarHBondContact O-CA 3.25Å; P813-R816 WeakPolarHBondContact O-CB 3.5Å; P813-R816 PolarHBondContact O-N 3.32Å; S814-R816 PolarHBondContact O-N 3.44Å; R816-L818 PolarHBondContact O-N 3.04Å; R816-Q819 VanDerWaalsContact O-CB 3.27Å; R816-Q819 WeakPolarHBondContact O-CB 3.31Å; R816-Q819 PolarHBondContact O-N 3.43Å |
| 817 | Q | 64.2 | Low | 56.5 | Low | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.9 | -36 | 171.1 | -56.8 | -63.5 | -18.2 | 0 | 0 | 111.1 | L804 Y812 P813 S814 Q819 I820 L832 | L804-Q817 PolarHBondContact O-NE2 2.71Å; Y812-Q817 WeakPolarHBondContact O-CG 3.45Å; Y812-Q817 PolarHBondContact O-NE2 2.85Å; P813-Q817 PolarHBondContact O-N 2.96Å; S814-Q817 PolarHBondContact O-N 2.68Å; S814-Q817 VanDerWaalsContact O-N 3.12Å; Q817-Q819 PolarHBondContact O-N 3.41Å; Q817-I820 WeakPolarHBondContact O-CB 3.45Å; Q817-I820 WeakPolarHBondContact O-CG1 3.43Å; Q817-I820 PolarHBondContact O-N 2.92Å; Q817-I820 VanDerWaalsContact O-N 3.09Å; Q817-L832 HydrophobicContact CB-CD2 4.5Å |
| 818 | L | 66.5 | Low | 57.3 | Low | 71 Ų | 71 | 68.9 Ų | 68.9 | 37% | 0.372 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -12.8 | 170.8 | -79.1 | 166.1 | 0 | 0 | 0 | 114.8 | S814 R816 L832 | S814-L818 WeakPolarHBondContact O-CB 3.42Å; S814-L818 WeakPolarHBondContact O-CG 3.19Å; S814-L818 PolarHBondContact O-N 2.9Å; R816-L818 PolarHBondContact O-N 3.04Å; L818-L832 HydrophobicContact CD1-CD1 3.94Å; L818-L832 HydrophobicContact CD2-CD1 3.82Å; L818-L832 HydrophobicContact CD2-CD2 3.8Å; L818-L832 HydrophobicContact CD2-CG 4.47Å; L818-L832 HydrophobicContact CG-CD1 3.75Å; L818-L832 HydrophobicContact CG-CD2 3.86Å; L818-L832 HydrophobicContact CG-CG 4.47Å |
| 819 | Q | 58.3 | Low | 58.1 | Low | 89 Ų | 89 | 66.9 Ų | 66.9 | 42% | 0.416 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -12.8 | 174.3 | -58.8 | 178.9 | -40.6 | 0 | 0 | 112.1 | R816 Q817 P821 | R816-Q819 VanDerWaalsContact O-CB 3.27Å; R816-Q819 WeakPolarHBondContact O-CB 3.31Å; R816-Q819 PolarHBondContact O-N 3.43Å; Q817-Q819 PolarHBondContact O-N 3.41Å; Q819-P821 WeakPolarHBondContact O-CD 3.5Å |
| 820 | I | 52.4 | Low | 58.8 | Low | 10 Ų | 10 | 70.4 Ų | 70.4 | 5% | 0.051 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -69.9 | 121.7 | 168.7 | -54.9 | 174.5 | 0 | 0 | 0 | 107.3 | P801 L804 Q817 G822 R823 | P801-I820 HydrophobicContact CB-CG2 4.2Å; P801-I820 HydrophobicContact CG-CG2 4.02Å; L804-I820 HydrophobicContact CB-CD1 4.09Å; L804-I820 HydrophobicContact CD1-CD1 3.97Å; L804-I820 HydrophobicContact CD1-CG1 3.64Å; L804-I820 HydrophobicContact CG-CD1 3.76Å; L804-I820 HydrophobicContact CG-CG1 3.95Å; Q817-I820 WeakPolarHBondContact O-CB 3.45Å; Q817-I820 WeakPolarHBondContact O-CG1 3.43Å; Q817-I820 PolarHBondContact O-N 2.92Å; Q817-I820 VanDerWaalsContact O-N 3.09Å; I820-G822 PolarHBondContact O-N 3.36Å; I820-R823 HydrophobicContact CB-CB 4.37Å; I820-R823 HydrophobicContact CB-CG 4.02Å; I820-R823 HydrophobicContact CG2-CG 4.17Å; I820-R823 WeakPolarHBondContact O-CB 3.39Å; I820-R823 PolarHBondContact O-N 3.3Å; I820-R823 VanDerWaalsContact O-N 3.1Å |
| 821 | P | 44.8 | Very low | 59 | Low | 24 Ų | 24 | 70 Ų | 70 | 16% | 0.156 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.5 | 132.7 | -178.6 | -33.2 | 39.6 | 0 | 0 | 0 | 113.5 | Q819 R823 Y861 P863 W884 | Q819-P821 WeakPolarHBondContact O-CD 3.5Å; P821-R823 PolarHBondContact O-N 3.21Å; P821-Y861 PolarHBondContact O-OH 3.27Å; P821-P863 HydrophobicContact CB-CB 3.81Å; P821-W884 HydrophobicContact CB-CE3 4.5Å; P821-W884 HydrophobicContact CB-CZ3 4.22Å; P821-W884 HydrophobicContact CG-CE3 3.72Å; P821-W884 HydrophobicContact CG-CZ3 3.92Å |
| 822 | G | 52.4 | Low | 59.2 | Low | 8 Ų | 8 | 69.2 Ų | 69.2 | 8% | 0.082 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.9 | -17.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | I820 S824 H825 Y861 | I820-G822 PolarHBondContact O-N 3.36Å; G822-S824 PolarHBondContact O-N 2.91Å; G822-S824 VanDerWaalsContact O-N 3.17Å; G822-H825 PolarHBondContact O-CD2 3.46Å; G822-H825 PolarHBondContact O-N 3.46Å; G822-H825 VanDerWaalsContact O-N 3.14Å; G822-Y861 WeakPolarHBondContact CA-OH 3.4Å |
| 823 | R | 59.2 | Low | 59.5 | Low | 1 Ų | 1 | 69.5 Ų | 69.5 | 0% | 0.004 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -64.2 | -16 | 164.8 | -66.1 | -159.8 | -177.3 | -157 | -4.3 | 112.4 | P801 G802 Y803 I820 P821 H825 L826 L832 | P801-R823 PolarHBondContact O-NH2 3.42Å; G802-R823 VanDerWaalsContact C-NH2 3.33Å; G802-R823 PolarHBondContact O-NH2 3.36Å; Y803-R823 VanDerWaalsContact CD2-NH2 3.33Å; Y803-R823 VanDerWaalsContact CG-NH1 3.32Å; Y803-R823 VanDerWaalsContact CZ-NH1 3.3Å; I820-R823 HydrophobicContact CB-CB 4.37Å; I820-R823 HydrophobicContact CB-CG 4.02Å; I820-R823 HydrophobicContact CG2-CG 4.17Å; I820-R823 WeakPolarHBondContact O-CB 3.39Å; I820-R823 PolarHBondContact O-N 3.3Å; I820-R823 VanDerWaalsContact O-N 3.1Å; P821-R823 PolarHBondContact O-N 3.21Å; R823-H825 PolarHBondContact O-N 3.29Å; R823-H825 VanDerWaalsContact O-N 3.14Å; R823-L826 HydrophobicContact CB-CD1 3.86Å; R823-L826 HydrophobicContact CG-CD1 3.88Å; R823-L826 WeakPolarHBondContact O-CB 3.36Å; R823-L826 PolarHBondContact O-N 3.18Å; R823-L832 HydrophobicContact CB-CD2 4.4Å |
| 824 | S | 56 | Low | 59.1 | Low | 71 Ų | 71 | 65.8 Ų | 65.8 | 50% | 0.497 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -55.2 | -19.4 | 168.3 | 50.6 | 0 | 0 | 0 | 0 | 115 | G822 | G822-S824 PolarHBondContact O-N 2.91Å; G822-S824 VanDerWaalsContact O-N 3.17Å |
| 825 | H | 58.3 | Low | 58.8 | Low | 128 Ų | 128 | 65.5 Ų | 65.5 | 59% | 0.593 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -90.2 | -6.1 | 176.6 | -45.8 | -49.8 | 0 | 0 | 0 | 113.6 | G822 R823 I827 | G822-H825 PolarHBondContact O-CD2 3.46Å; G822-H825 PolarHBondContact O-N 3.46Å; G822-H825 VanDerWaalsContact O-N 3.14Å; R823-H825 PolarHBondContact O-N 3.29Å; R823-H825 VanDerWaalsContact O-N 3.14Å; H825-I827 PolarHBondContact O-N 3.07Å |
| 826 | L | 60.7 | Low | 58.4 | Low | 23 Ų | 23 | 59.5 Ų | 59.5 | 12% | 0.12 | 32% | 0.318 | C | S | . | . | trans | -80.5 | 86.1 | -178.3 | -59.7 | 171.9 | 0 | 0 | 0 | 109.7 | R823 Q828 D831 L832 C854 | R823-L826 HydrophobicContact CB-CD1 3.86Å; R823-L826 HydrophobicContact CG-CD1 3.88Å; R823-L826 WeakPolarHBondContact O-CB 3.36Å; R823-L826 PolarHBondContact O-N 3.18Å; L826-Q828 VanDerWaalsContact C-N 3.29Å; L826-Q828 PolarHBondContact O-N 3.48Å; L826-D831 HydrophobicContact CB-CB 3.95Å; L826-D831 HydrophobicContact CD1-CB 4.18Å; L826-D831 HydrophobicContact CD2-CB 3.97Å; L826-D831 HydrophobicContact CG-CB 4.24Å; L826-L832 HydrophobicContact CB-CD2 3.97Å; L826-L832 HydrophobicContact CB-CG 4.19Å; L826-L832 HydrophobicContact CD1-CD2 4.13Å; L826-C854 HydrophobicContact CD1-CB 4.39Å; L826-C854 HydrophobicContact CD2-CB 4.13Å | ||
| 827 | I | 58.5 | Low | 58.2 | Low | 163 Ų | 163 | 55.8 Ų | 55.8 | 84% | 0.836 | 31% | 0.31 | S | S | * | . | trans | -68.2 | -28.5 | -177.5 | -63.4 | 163.2 | 0 | 0 | 0 | 111.6 | H825 | H825-I827 PolarHBondContact O-N 3.07Š| ||
| 828 | Q | 57.5 | Low | 57.4 | Low | 111 Ų | 111 | 61.4 Ų | 61.4 | 52% | 0.519 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -81 | 124.6 | 178.4 | -59.3 | -166.2 | 4.4 | 0 | 0 | 110.5 | L826 T830 D831 | L826-Q828 VanDerWaalsContact C-N 3.29Å; L826-Q828 PolarHBondContact O-N 3.48Å; Q828-T830 WeakPolarHBondContact CB-OG1 3.09Å; Q828-T830 PolarHBondContact O-N 3.29Å; Q828-T830 VanDerWaalsContact O-N 3.11Å; Q828-D831 PolarHBondContact O-N 3.09Å |
| 829 | P | 58.3 | Low | 56.3 | Low | 95 Ų | 95 | 59.1 Ų | 59.1 | 62% | 0.617 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -58.5 | -26.6 | 178 | -26 | 35.4 | 0 | 0 | 0 | 113.7 | D831 L832 L833 | P829-D831 VanDerWaalsContact C-N 3.28Å; P829-D831 PolarHBondContact O-N 3.4Å; P829-L832 PolarHBondContact O-N 2.88Å; P829-L833 WeakPolarHBondContact O-CG 3.27Å; P829-L833 PolarHBondContact O-N 2.91Å |
| 830 | T | 61.3 | Low | 55.6 | Low | 90 Ų | 90 | 60.6 Ų | 60.6 | 55% | 0.552 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -64.3 | -26 | 174.7 | 45 | 0 | 0 | 0 | 0 | 113.9 | Q828 | Q828-T830 WeakPolarHBondContact CB-OG1 3.09Å; Q828-T830 PolarHBondContact O-N 3.29Å; Q828-T830 VanDerWaalsContact O-N 3.11Å |
| 831 | D | 57.6 | Low | 55 | Low | 23 Ų | 23 | 64.8 Ų | 64.8 | 12% | 0.123 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -85.9 | -13.3 | 176.7 | -64.4 | -25.5 | 0 | 0 | 0 | 112.3 | Y803 L826 Q828 P829 | Y803-D831 PolarHBondContact OH-O 3.07Å; L826-D831 HydrophobicContact CB-CB 3.95Å; L826-D831 HydrophobicContact CD1-CB 4.18Å; L826-D831 HydrophobicContact CD2-CB 3.97Å; L826-D831 HydrophobicContact CG-CB 4.24Å; Q828-D831 PolarHBondContact O-N 3.09Å; P829-D831 VanDerWaalsContact C-N 3.28Å; P829-D831 PolarHBondContact O-N 3.4Å |
| 832 | L | 64.2 | Low | 54.8 | Low | 15 Ų | 15 | 66.8 Ų | 66.8 | 8% | 0.079 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -95.8 | -12.2 | 174.3 | -64.2 | 171.7 | 0 | 0 | 0 | 112.3 | Q817 L818 R823 L826 P829 | Q817-L832 HydrophobicContact CB-CD2 4.5Å; L818-L832 HydrophobicContact CD1-CD1 3.94Å; L818-L832 HydrophobicContact CD2-CD1 3.82Å; L818-L832 HydrophobicContact CD2-CD2 3.8Å; L818-L832 HydrophobicContact CD2-CG 4.47Å; L818-L832 HydrophobicContact CG-CD1 3.75Å; L818-L832 HydrophobicContact CG-CD2 3.86Å; L818-L832 HydrophobicContact CG-CG 4.47Å; R823-L832 HydrophobicContact CB-CD2 4.4Å; L826-L832 HydrophobicContact CB-CD2 3.97Å; L826-L832 HydrophobicContact CB-CG 4.19Å; L826-L832 HydrophobicContact CD1-CD2 4.13Å; P829-L832 PolarHBondContact O-N 2.88Å |
| 833 | L | 63.1 | Low | 54.4 | Low | 93 Ų | 93 | 69 Ų | 69 | 49% | 0.487 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -94.6 | 124.8 | 167.7 | -69.3 | 164.2 | 0 | 0 | 0 | 107.8 | Y803 P829 | Y803-L833 PolarHBondContact OH-O 3.02Å; P829-L833 WeakPolarHBondContact O-CG 3.27Å; P829-L833 PolarHBondContact O-N 2.91Å |
| 834 | P | 59.8 | Low | 54 | Low | 7 Ų | 7 | 74.4 Ų | 74.4 | 5% | 0.045 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 167 | 164.8 | 26.5 | -27.9 | 0 | 0 | 0 | 109.8 | Y803 P811 V836 V847 | Y803-P834 HydrophobicContact CD1-CB 3.63Å; Y803-P834 HydrophobicContact CD1-CG 3.71Å; Y803-P834 HydrophobicContact CD2-CB 4.02Å; Y803-P834 HydrophobicContact CE1-CB 3.72Å; Y803-P834 VanDerWaalsContact CE1-CD 3.47Å; Y803-P834 HydrophobicContact CE1-CG 4.02Å; Y803-P834 HydrophobicContact CE2-CB 4.12Å; Y803-P834 HydrophobicContact CG-CB 3.79Å; Y803-P834 HydrophobicContact CG-CG 4.18Å; P811-P834 HydrophobicContact CB-CG 3.89Å; P811-P834 HydrophobicContact CG-CG 4.2Å; P834-V836 HydrophobicContact CG-CG2 4.3Å; P834-V836 PolarHBondContact O-N 3.47Å; P834-V836 VanDerWaalsContact O-N 3.09Å; P834-V847 HydrophobicContact CB-CB 4.5Å; P834-V847 HydrophobicContact CB-CG1 3.9Å; P834-V847 HydrophobicContact CB-CG2 4.01Å; P834-V847 HydrophobicContact CG-CB 4.37Å; P834-V847 HydrophobicContact CG-CG1 4.28Å; P834-V847 HydrophobicContact CG-CG2 3.43Å; P834-V847 VanDerWaalsContact CG-CG2 3.43Å |
| 835 | S | 60.4 | Low | 53.7 | Low | 51 Ų | 51 | 75 Ų | 75 | 36% | 0.357 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 116.7 | 164.9 | 80.2 | 0 | 0 | 0 | 0 | 108.8 | V848 Q852 | S835-V848 WeakPolarHBondContact O-CG2 3.29Å; S835-V848 PolarHBondContact O-N 2.87Å; S835-V848 VanDerWaalsContact O-N 3.13Å; S835-Q852 PolarHBondContact OG-NE2 3.15Å; S835-Q852 PolarHBondContact OG-OE1 3.21Å |
| 836 | V | 57.1 | Low | 53.3 | Low | 49 Ų | 49 | 70.5 Ų | 70.5 | 30% | 0.297 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 136.6 | -178.4 | 168.1 | 0 | 0 | 0 | 0 | 109.6 | P834 D845 I846 | P834-V836 HydrophobicContact CG-CG2 4.3Å; P834-V836 PolarHBondContact O-N 3.47Å; P834-V836 VanDerWaalsContact O-N 3.09Å; V836-D845 HydrophobicContact CB-CB 4.46Å; V836-D845 VanDerWaalsContact CG1-CA 3.45Å; V836-D845 HydrophobicContact CG1-CB 3.44Å; V836-D845 VanDerWaalsContact CG1-CB 3.44Å; V836-D845 WeakPolarHBondContact CG1-OD1 3.44Å; V836-D845 HydrophobicContact CG2-CB 4.2Å; V836-I846 CarbonylContact C-O 3.6Å; V836-I846 VanDerWaalsContact CA-O 3.28Å; V836-I846 WeakPolarHBondContact CA-O 3.22Å |
| 837 | T | 51.7 | Low | 52.7 | Low | 50 Ų | 50 | 69.8 Ų | 69.8 | 31% | 0.307 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 132.8 | 153.6 | 42.6 | 0 | 0 | 0 | 0 | 108.7 | Q134 D839 I846 V848 | Q134-T837 PolarHBondContact NE2-OG1 3.3Å; Q134-T837 VanDerWaalsContact NE2-OG1 3.08Å; T837-D839 PolarHBondContact O-N 3.49Å; T837-I846 PolarHBondContact N-O 3.24Å; T837-I846 PolarHBondContact O-N 3.33Å; T837-V848 HydrophobicContact CG2-CG2 3.58Å |
| 838 | L | 47.6 | Very low | 52.1 | Low | 117 Ų | 117 | 64.3 Ų | 64.3 | 61% | 0.613 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.1 | 126.7 | 163 | -73.8 | 165.8 | 0 | 0 | 0 | 108.5 | E840 D845 | L838-E840 PolarHBondContact O-N 3.44Å; L838-E840 VanDerWaalsContact O-N 3.13Å; L838-D845 WeakPolarHBondContact CD2-OD1 3.41Å |
| 839 | D | 42.6 | Very low | 51.3 | Low | 24 Ų | 24 | 62.2 Ų | 62.2 | 13% | 0.128 | 36% | 0.355 | C | S | . | . | trans | -69.4 | 100 | 161 | 174.6 | 12.3 | 0 | 0 | 0 | 107.7 | T837 E841 T842 G843 E844 I846 | T837-D839 PolarHBondContact O-N 3.49Å; D839-E841 PolarHBondContact O-N 3.2Å; D839-E841 VanDerWaalsContact OD1-CB 3.3Å; D839-E841 WeakPolarHBondContact OD1-CB 3.35Å; D839-E841 PolarHBondContact OD1-N 2.65Å; D839-T842 WeakPolarHBondContact CB-OG1 3.42Å; D839-T842 VanDerWaalsContact CG-OG1 3.23Å; D839-T842 PolarHBondContact O-N 2.91Å; D839-T842 WeakPolarHBondContact OD2-CB 3.39Å; D839-T842 WeakPolarHBondContact OD2-CG2 3.48Å; D839-T842 PolarHBondContact OD2-OG1 3.29Å; D839-G843 WeakPolarHBondContact O-CA 3.39Å; D839-G843 PolarHBondContact O-N 3.33Å; D839-E844 PolarHBondContact N-O 2.98Å; D839-I846 HydrophobicContact CB-CD1 3.76Å; D839-I846 HydrophobicContact CB-CG1 4.16Å | ||
| 840 | E | 44.6 | Very low | 50.5 | Low | 120 Ų | 120 | 62.6 Ų | 62.6 | 56% | 0.561 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -19.2 | 179.4 | -58.8 | -164.8 | 159.3 | 0 | 0 | 113 | I531 I532 L838 | I531-E840 HydrophobicContact CG2-CG 4.45Å; I532-E840 WeakPolarHBondContact CD1-OE1 3.49Å; I532-E840 WeakPolarHBondContact CG1-OE1 3.05Å; L838-E840 PolarHBondContact O-N 3.44Å; L838-E840 VanDerWaalsContact O-N 3.13Å |
| 841 | E | 38.5 | Very low | 49.7 | Very low | 97 Ų | 97 | 62.1 Ų | 62.1 | 45% | 0.453 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -8.1 | -177.4 | -120.6 | 173.5 | -159.8 | 0 | 0 | 113.1 | H130 D839 | H130-E841 VanDerWaalsContact CA-OE2 3.27Å; H130-E841 WeakPolarHBondContact CA-OE2 3.38Å; H130-E841 HydrophobicContact CB-CB 3.98Å; H130-E841 HydrophobicContact CB-CG 4.5Å; H130-E841 WeakPolarHBondContact CB-OE2 3.31Å; H130-E841 VanDerWaalsContact CD2-CD 3.44Å; H130-E841 IonicContact CD2-OE2 2.66Å; H130-E841 PolarHBondContact CD2-OE2 3.13Å; H130-E841 PolarHBondContact CE1-O 3.21Å; H130-E841 IonicContact CG-OE2 3.67Å; H130-E841 VanDerWaalsContact CG-OE2 3.27Å; H130-E841 WeakPolarHBondContact ND1-CB 3.35Å; H130-E841 PolarHBondContact ND1-O 2.92Å; H130-E841 IonicContact NE2-OE2 3.46Å; D839-E841 PolarHBondContact O-N 3.2Å; D839-E841 VanDerWaalsContact OD1-CB 3.3Å; D839-E841 WeakPolarHBondContact OD1-CB 3.35Å; D839-E841 PolarHBondContact OD1-N 2.65Å |
| 842 | T | 42.3 | Very low | 49 | Very low | 67 Ų | 67 | 63.2 Ų | 63.2 | 41% | 0.411 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132.1 | -20.5 | 170.3 | 61.4 | 0 | 0 | 0 | 0 | 115.3 | H130 D839 E844 | H130-T842 HydrophobicContact CB-CG2 4.43Å; D839-T842 WeakPolarHBondContact CB-OG1 3.42Å; D839-T842 VanDerWaalsContact CG-OG1 3.23Å; D839-T842 PolarHBondContact O-N 2.91Å; D839-T842 WeakPolarHBondContact OD2-CB 3.39Å; D839-T842 WeakPolarHBondContact OD2-CG2 3.48Å; D839-T842 PolarHBondContact OD2-OG1 3.29Å; T842-E844 VanDerWaalsContact C-N 3.34Å; T842-E844 PolarHBondContact OG1-N 2.66Å |
| 843 | G | 43.6 | Very low | 48.4 | Very low | 55 Ų | 55 | 65.8 Ų | 65.8 | 57% | 0.567 | 36% | 0.359 | S | S | * | . | S | Bend | trans | 78.6 | 10.8 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | D839 | D839-G843 WeakPolarHBondContact O-CA 3.39Å; D839-G843 PolarHBondContact O-N 3.33Å |
| 844 | E | 50.6 | Low | 47.8 | Very low | 114 Ų | 114 | 62 Ų | 62 | 53% | 0.533 | 34% | 0.34 | S | S | . | . | trans | -105 | 160.9 | -178.4 | -64 | -166.8 | 157.2 | 0 | 0 | 113.7 | F810 D839 T842 | F810-E844 HydrophobicContact CE1-CB 4.04Å; D839-E844 PolarHBondContact N-O 2.98Å; T842-E844 VanDerWaalsContact C-N 3.34Å; T842-E844 PolarHBondContact OG1-N 2.66Å | ||
| 845 | D | 48.9 | Very low | 47.2 | Very low | 84 Ų | 84 | 66.4 Ų | 66.4 | 45% | 0.449 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 103.2 | -167.5 | -78.6 | -15.6 | 0 | 0 | 0 | 113.6 | F810 P811 V836 L838 | F810-D845 WeakPolarHBondContact CD1-O 3.25Å; P811-D845 VanDerWaalsContact CD-O 3.24Å; P811-D845 WeakPolarHBondContact CD-O 3.5Å; V836-D845 HydrophobicContact CB-CB 4.46Å; V836-D845 VanDerWaalsContact CG1-CA 3.45Å; V836-D845 HydrophobicContact CG1-CB 3.44Å; V836-D845 VanDerWaalsContact CG1-CB 3.44Å; V836-D845 WeakPolarHBondContact CG1-OD1 3.44Å; V836-D845 HydrophobicContact CG2-CB 4.2Å; L838-D845 WeakPolarHBondContact CD2-OD1 3.41Å |
| 846 | I | 50.8 | Low | 46.7 | Very low | 32 Ų | 32 | 69.3 Ų | 69.3 | 16% | 0.164 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 138.3 | 177 | -61.9 | -176.6 | 0 | 0 | 0 | 112.2 | F810 V836 T837 D839 | F810-I846 HydrophobicContact CD1-CG1 3.89Å; F810-I846 HydrophobicContact CE1-CD1 4.14Å; F810-I846 HydrophobicContact CE1-CG1 3.47Å; F810-I846 VanDerWaalsContact CE1-CG1 3.47Å; F810-I846 HydrophobicContact CZ-CD1 4.3Å; F810-I846 HydrophobicContact CZ-CG1 4.11Å; V836-I846 CarbonylContact C-O 3.6Å; V836-I846 VanDerWaalsContact CA-O 3.28Å; V836-I846 WeakPolarHBondContact CA-O 3.22Å; T837-I846 PolarHBondContact N-O 3.24Å; T837-I846 PolarHBondContact O-N 3.33Å; D839-I846 HydrophobicContact CB-CD1 3.76Å; D839-I846 HydrophobicContact CB-CG1 4.16Å |
| 847 | V | 48.2 | Very low | 46.3 | Very low | 9 Ų | 9 | 68.4 Ų | 68.4 | 6% | 0.055 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 130.4 | 173.6 | -179.1 | 0 | 0 | 0 | 0 | 111.7 | T805 G809 P811 P834 D849 | T805-V847 HydrophobicContact CG2-CB 4.25Å; T805-V847 HydrophobicContact CG2-CG2 3.85Å; G809-V847 WeakPolarHBondContact O-CB 3.3Å; G809-V847 VanDerWaalsContact O-CG2 3.29Å; G809-V847 WeakPolarHBondContact O-CG2 3.45Å; G809-V847 PolarHBondContact O-N 3.48Å; P811-V847 HydrophobicContact CB-CG2 3.76Å; P811-V847 HydrophobicContact CG-CG2 3.92Å; P834-V847 HydrophobicContact CB-CB 4.5Å; P834-V847 HydrophobicContact CB-CG1 3.9Å; P834-V847 HydrophobicContact CB-CG2 4.01Å; P834-V847 HydrophobicContact CG-CB 4.37Å; P834-V847 HydrophobicContact CG-CG1 4.28Å; P834-V847 HydrophobicContact CG-CG2 3.43Å; P834-V847 VanDerWaalsContact CG-CG2 3.43Å; V847-D849 WeakPolarHBondContact CG1-O 3.37Å |
| 848 | V | 46.1 | Very low | 46.1 | Very low | 47 Ų | 47 | 70 Ų | 70 | 29% | 0.285 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -80 | -37.9 | 178.6 | -178.4 | 0 | 0 | 0 | 0 | 112.9 | S835 T837 | S835-V848 WeakPolarHBondContact O-CG2 3.29Å; S835-V848 PolarHBondContact O-N 2.87Å; S835-V848 VanDerWaalsContact O-N 3.13Å; T837-V848 HydrophobicContact CG2-CG2 3.58Å |
| 849 | D | 40.9 | Very low | 45.9 | Very low | 68 Ų | 68 | 70.8 Ų | 70.8 | 36% | 0.364 | 39% | 0.392 | S | S | . | . | trans | -130.4 | 115.3 | -176.1 | -82.4 | -45.6 | 0 | 0 | 0 | 109.3 | V847 I851 Q852 | V847-D849 WeakPolarHBondContact CG1-O 3.37Å; D849-I851 PolarHBondContact O-N 3.42Å; D849-I851 VanDerWaalsContact O-N 3.14Å; D849-Q852 HydrophobicContact CB-CG 3.29Å; D849-Q852 PolarHBondContact OD2-NE2 3.37Å | ||
| 850 | D | 40.3 | Very low | 45.8 | Very low | 102 Ų | 102 | 76 Ų | 76 | 55% | 0.545 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -28.7 | 175 | -68.6 | -37.3 | 0 | 0 | 0 | 112.4 | G802 Y803 | G802-D850 VanDerWaalsContact CA-O 3.29Å; G802-D850 WeakPolarHBondContact CA-O 3.34Å; Y803-D850 PolarHBondContact N-O 2.99Å |
| 851 | I | 43.9 | Very low | 45.7 | Very low | 81 Ų | 81 | 71.3 Ų | 71.3 | 42% | 0.415 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | 61.6 | -174 | -41.5 | -179.5 | 0 | 0 | 0 | 111.1 | D849 F853 | D849-I851 PolarHBondContact O-N 3.42Å; D849-I851 VanDerWaalsContact O-N 3.14Å; I851-F853 HydrophobicContact CG2-CD1 4.42Å; I851-F853 HydrophobicContact CG2-CE1 3.65Å; I851-F853 HydrophobicContact CG2-CE2 4.08Å; I851-F853 HydrophobicContact CG2-CZ 3.46Å; I851-F853 VanDerWaalsContact CG2-CZ 3.46Å |
| 852 | Q | 44.8 | Very low | 45.8 | Very low | 45 Ų | 45 | 70.4 Ų | 70.4 | 21% | 0.21 | 40% | 0.401 | C | S | . | . | trans | -84.4 | 115.9 | 164.5 | -62 | -158.7 | -31.9 | 0 | 0 | 111.5 | Y803 S835 D849 | Y803-Q852 HydrophobicContact CD2-CB 4.31Å; Y803-Q852 HydrophobicContact CE2-CB 3.82Å; Y803-Q852 WeakPolarHBondContact CE2-O 3.44Å; S835-Q852 PolarHBondContact OG-NE2 3.15Å; S835-Q852 PolarHBondContact OG-OE1 3.21Å; D849-Q852 HydrophobicContact CB-CG 3.29Å; D849-Q852 PolarHBondContact OD2-NE2 3.37Å | ||
| 853 | F | 50.5 | Low | 45.9 | Very low | 69 Ų | 69 | 68.7 Ų | 68.7 | 30% | 0.303 | 39% | 0.391 | S | S | . | . | trans | -77.3 | 124.1 | 169.8 | -50.6 | -71 | 0 | 0 | 0 | 109 | H789 L799 I851 S855 | H789-F853 AromaticContact CE1-CD2 3.81Å; H789-F853 AromaticContact CE1-CE2 3.42Å; H789-F853 VanDerWaalsContact CE1-CE2 3.42Å; H789-F853 WeakPolarHBondContact CE1-CE2 3.41Å; H789-F853 AromaticContact ND1-CE2 3.91Å; H789-F853 AromaticContact NE2-CE2 3.97Å; L799-F853 HydrophobicContact CB-CD1 4.21Å; L799-F853 HydrophobicContact CB-CE1 4.01Å; L799-F853 HydrophobicContact CD1-CD1 4.48Å; L799-F853 HydrophobicContact CD1-CE1 3.81Å; L799-F853 HydrophobicContact CD1-CZ 4.2Å; L799-F853 HydrophobicContact CD2-CD1 3.87Å; L799-F853 HydrophobicContact CD2-CE1 4.03Å; L799-F853 HydrophobicContact CD2-CG 4.47Å; L799-F853 HydrophobicContact CG-CD1 4.41Å; L799-F853 HydrophobicContact CG-CE1 4.17Å; I851-F853 HydrophobicContact CG2-CD1 4.42Å; I851-F853 HydrophobicContact CG2-CE1 3.65Å; I851-F853 HydrophobicContact CG2-CE2 4.08Å; I851-F853 HydrophobicContact CG2-CZ 3.46Å; I851-F853 VanDerWaalsContact CG2-CZ 3.46Å; F853-S855 PolarHBondContact O-N 2.85Å | ||
| 854 | C | 49.6 | Very low | 45.7 | Very low | 13 Ų | 13 | 71.3 Ų | 71.3 | 9% | 0.088 | 40% | 0.397 | C | S | . | . | trans | -58.4 | 131.8 | 176.6 | -52.6 | 0 | 0 | 0 | 0 | 109.7 | L826 N856 V857 | L826-C854 HydrophobicContact CD1-CB 4.39Å; L826-C854 HydrophobicContact CD2-CB 4.13Å; C854-N856 PolarHBondContact O-N 2.81Å; C854-N856 VanDerWaalsContact O-N 3.16Å; C854-V857 HydrophobicContact CB-CG2 3.94Å; C854-V857 WeakPolarHBondContact O-CG2 3.36Å | ||
| 855 | S | 49.2 | Very low | 45 | Very low | 100 Ų | 100 | 71.1 Ų | 71.1 | 70% | 0.699 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -11.2 | -165.6 | 52.3 | 0 | 0 | 0 | 0 | 115 | F853 | F853-S855 PolarHBondContact O-N 2.85Š|
| 856 | N | 49.7 | Very low | 44.4 | Very low | 113 Ų | 113 | 74.2 Ų | 74.2 | 60% | 0.604 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.6 | 31.2 | -177.1 | -65.2 | -63.5 | 0 | 0 | 0 | 113.5 | C854 P858 | C854-N856 PolarHBondContact O-N 2.81Å; C854-N856 VanDerWaalsContact O-N 3.16Å; N856-P858 WeakPolarHBondContact O-CD 3.15Å |
| 857 | V | 47.7 | Very low | 43.6 | Very low | 29 Ų | 29 | 80.8 Ų | 80.8 | 18% | 0.176 | 45% | 0.451 | C | S | . | . | trans | -61.5 | 124.5 | 171.1 | 177 | 0 | 0 | 0 | 0 | 109.5 | P800 C854 Y861 | P800-V857 HydrophobicContact CG-CG2 4.08Å; C854-V857 HydrophobicContact CB-CG2 3.94Å; C854-V857 WeakPolarHBondContact O-CG2 3.36Å; V857-Y861 VanDerWaalsContact CG1-CB 3.47Å; V857-Y861 HydrophobicContact CG1-CD1 3.66Å; V857-Y861 HydrophobicContact CG1-CD2 4.09Å; V857-Y861 HydrophobicContact CG1-CE1 4.35Å; V857-Y861 HydrophobicContact CG1-CG 3.5Å | ||
| 858 | P | 47.7 | Very low | 42.9 | Very low | 85 Ų | 85 | 84 Ų | 84 | 55% | 0.552 | 47% | 0.474 | S | S | * | . | trans | -58.5 | 145.9 | 175.8 | -25.3 | 35.1 | 0 | 0 | 0 | 112.3 | N856 D860 Y861 | N856-P858 WeakPolarHBondContact O-CD 3.15Å; P858-D860 PolarHBondContact O-N 2.93Å; P858-D860 VanDerWaalsContact O-N 3.13Å; P858-Y861 WeakPolarHBondContact O-CB 3.47Å; P858-Y861 PolarHBondContact O-N 3.35Å | ||
| 859 | I | 42.6 | Very low | 42.4 | Very low | 132 Ų | 132 | 87.2 Ų | 87.2 | 68% | 0.677 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -30.7 | -179.8 | -69.4 | 171.7 | 0 | 0 | 0 | 112 | R798 | R798-I859 PolarHBondContact NH1-O 3.4Š|
| 860 | D | 40.4 | Very low | 42.1 | Very low | 135 Ų | 135 | 87.7 Ų | 87.7 | 72% | 0.722 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | 17.2 | -178.5 | -51.4 | -52.8 | 0 | 0 | 0 | 113.3 | R798 P858 C862 | R798-D860 IonicContact NH1-OD1 3.85Å; P858-D860 PolarHBondContact O-N 2.93Å; P858-D860 VanDerWaalsContact O-N 3.13Å; D860-C862 PolarHBondContact O-N 3.36Å |
| 861 | Y | 44.3 | Very low | 42 | Very low | 20 Ų | 20 | 91 Ų | 91 | 8% | 0.078 | 52% | 0.517 | C | S | . | . | trans | -68.5 | 121.5 | 176.7 | 177.5 | -92.7 | 0 | 0 | 0 | 111.8 | P800 P821 G822 V857 P858 P863 | P800-Y861 HydrophobicContact CB-CE1 4.12Å; P821-Y861 PolarHBondContact O-OH 3.27Å; G822-Y861 WeakPolarHBondContact CA-OH 3.4Å; V857-Y861 VanDerWaalsContact CG1-CB 3.47Å; V857-Y861 HydrophobicContact CG1-CD1 3.66Å; V857-Y861 HydrophobicContact CG1-CD2 4.09Å; V857-Y861 HydrophobicContact CG1-CE1 4.35Å; V857-Y861 HydrophobicContact CG1-CG 3.5Å; P858-Y861 WeakPolarHBondContact O-CB 3.47Å; P858-Y861 PolarHBondContact O-N 3.35Å; Y861-P863 HydrophobicContact CE1-CG 4.24Å | ||
| 862 | C | 40.6 | Very low | 42 | Very low | 79 Ų | 79 | 90.8 Ų | 90.8 | 53% | 0.534 | 52% | 0.521 | S | S | . | . | trans | -138 | 115.3 | 171.5 | -169.8 | 0 | 0 | 0 | 0 | 109.1 | D860 T864 | D860-C862 PolarHBondContact O-N 3.36Å; C862-T864 PolarHBondContact O-N 3.42Å | ||
| 863 | P | 44.1 | Very low | 41.9 | Very low | 30 Ų | 30 | 93.5 Ų | 93.5 | 20% | 0.195 | 54% | 0.535 | C | S | . | . | trans | -78.7 | 113 | -179.7 | 28.9 | -31.1 | 0 | 0 | 0 | 111.3 | P821 Y861 | P821-P863 HydrophobicContact CB-CB 3.81Å; Y861-P863 HydrophobicContact CE1-CG 4.24Å | ||
| 864 | T | 39.2 | Very low | 41.4 | Very low | 111 Ų | 111 | 100.6 Ų | 100.6 | 68% | 0.681 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 133.5 | 177.6 | 43.4 | 0 | 0 | 0 | 0 | 112.4 | C862 | C862-T864 PolarHBondContact O-N 3.42Š|
| 865 | P | 34.8 | Very low | 41 | Very low | 110 Ų | 110 | 102.6 Ų | 102.6 | 71% | 0.714 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 145.5 | 173.9 | -22.5 | 33.8 | 0 | 0 | 0 | 112.5 | ||
| 866 | Q | 36.7 | Very low | 40.6 | Very low | 148 Ų | 148 | 101.4 Ų | 101.4 | 69% | 0.692 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 138.7 | 175.4 | -69 | -166.8 | -10.3 | 0 | 0 | 112.2 | ||
| 867 | L | 33.6 | Very low | 40.2 | Very low | 170 Ų | 170 | 99.2 Ų | 99.2 | 89% | 0.89 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 142.6 | -178.3 | -143.4 | 78.4 | 0 | 0 | 0 | 112 | ||
| 868 | S | 34.2 | Very low | 39.8 | Very low | 76 Ų | 76 | 101.8 Ų | 101.8 | 53% | 0.531 | 56% | 0.562 | S | S | . | * | P | Polyproline II helix | trans | -73.4 | 124.5 | 178.9 | 54.9 | 0 | 0 | 0 | 0 | 112.6 | ||
| 869 | S | 34.7 | Very low | 39.3 | Very low | 116 Ų | 116 | 101.6 Ų | 101.6 | 81% | 0.811 | 56% | 0.556 | S | S | * | * | trans | -92.8 | -1.7 | 179.8 | 59.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 870 | T | 35.2 | Very low | 38.8 | Very low | 77 Ų | 77 | 99.7 Ų | 99.7 | 47% | 0.472 | 54% | 0.54 | S | S | . | . | S | Bend | trans | -77.3 | 119.2 | 175.3 | 44.2 | 0 | 0 | 0 | 0 | 110.6 | N887 | T870-N887 HydrophobicContact CG2-CB 3.83Å; T870-N887 PolarHBondContact OG1-ND2 2.86Å |
| 871 | Q | 39.5 | Very low | 38.5 | Very low | 172 Ų | 172 | 97 Ų | 97 | 80% | 0.804 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 135.7 | 173.3 | -70.2 | -173.5 | -14.6 | 0 | 0 | 110.7 | ||
| 872 | P | 43.2 | Very low | 38.2 | Very low | 77 Ų | 77 | 97.8 Ų | 97.8 | 50% | 0.5 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 145.9 | 175.9 | 29.3 | -34.6 | 0 | 0 | 0 | 111 | Y874 Y878 | P872-Y874 PolarHBondContact O-N 3.01Å; P872-Y874 VanDerWaalsContact O-N 3.12Å; P872-Y878 HydrophobicContact CB-CD2 4.37Å; P872-Y878 HydrophobicContact CB-CE2 3.7Å |
| 873 | I | 42.7 | Very low | 38 | Very low | 101 Ų | 101 | 97.6 Ų | 97.6 | 52% | 0.518 | 54% | 0.537 | S | S | . | . | trans | -68.9 | 107.7 | 170.4 | -64.9 | 165.8 | 0 | 0 | 0 | 108 | G875 K876 Y878 | I873-G875 PolarHBondContact O-N 2.94Å; I873-K876 PolarHBondContact O-N 3.19Å; I873-Y878 WeakPolarHBondContact CG1-OH 3.47Å; I873-Y878 PolarHBondContact N-OH 3.26Å | ||
| 874 | Y | 39.8 | Very low | 37.8 | Very low | 219 Ų | 219 | 102.3 Ų | 102.3 | 86% | 0.859 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.9 | 128.3 | 177.7 | -82.8 | -92.6 | 0 | 0 | 0 | 111.1 | P872 | P872-Y874 PolarHBondContact O-N 3.01Å; P872-Y874 VanDerWaalsContact O-N 3.12Å |
| 875 | G | 40.3 | Very low | 37.7 | Very low | 55 Ų | 55 | 101.5 Ų | 101.5 | 57% | 0.567 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.1 | -7.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | I873 | I873-G875 PolarHBondContact O-N 2.94Š|
| 876 | K | 40.7 | Very low | 37.9 | Very low | 75 Ų | 75 | 100.3 Ų | 100.3 | 33% | 0.326 | 53% | 0.533 | S | S | . | . | trans | -124.2 | 135.8 | 174.3 | -69.6 | -171 | 157.2 | -141.5 | 0 | 112.5 | I873 E893 P894 L895 | I873-K876 PolarHBondContact O-N 3.19Å; K876-E893 IonicContact NZ-OE1 3.19Å; K876-E893 PolarHBondContact NZ-OE1 2.96Å; K876-P894 HydrophobicContact CB-CB 3.82Å; K876-P894 HydrophobicContact CB-CG 3.77Å; K876-P894 HydrophobicContact CD-CG 4Å; K876-P894 WeakPolarHBondContact CD-O 3.33Å; K876-P894 PolarHBondContact NZ-O 2.66Å; K876-L895 CarbonylContact C-O 3.54Å; K876-L895 WeakPolarHBondContact CA-O 3.18Å | ||
| 877 | N | 42.6 | Very low | 37.8 | Very low | 66 Ų | 66 | 96.2 Ų | 96.2 | 35% | 0.353 | 52% | 0.516 | S | S | . | . | B | Isolated β-bridge | trans | -98.7 | 129.9 | 179.6 | -67.5 | -43.2 | 0 | 0 | 0 | 111.5 | P894 L895 L900 | N877-P894 VanDerWaalsContact C-CB 3.46Å; N877-P894 CarbonylContact O-C 3.56Å; N877-P894 VanDerWaalsContact O-CA 3.3Å; N877-P894 WeakPolarHBondContact O-CA 3.33Å; N877-P894 WeakPolarHBondContact O-CB 3.43Å; N877-L895 PolarHBondContact N-O 2.84Å; N877-L895 PolarHBondContact O-N 3.3Å; N877-L900 HydrophobicContact CB-CD2 4.24Å; N877-L900 WeakPolarHBondContact ND2-CD2 3.15Å |
| 878 | Y | 39.9 | Very low | 38.1 | Very low | 84 Ų | 84 | 97.7 Ų | 97.7 | 33% | 0.329 | 52% | 0.515 | S | S | . | . | trans | -88.7 | 127.9 | -178.9 | -63.2 | -102.8 | 0 | 0 | 0 | 110.7 | P872 I873 P894 | P872-Y878 HydrophobicContact CB-CD2 4.37Å; P872-Y878 HydrophobicContact CB-CE2 3.7Å; I873-Y878 WeakPolarHBondContact CG1-OH 3.47Å; I873-Y878 PolarHBondContact N-OH 3.26Å; Y878-P894 HydrophobicContact CD1-CB 3.85Å; Y878-P894 HydrophobicContact CD1-CG 3.91Å; Y878-P894 HydrophobicContact CD2-CB 4.05Å; Y878-P894 HydrophobicContact CD2-CG 4.4Å; Y878-P894 HydrophobicContact CE1-CB 4.1Å; Y878-P894 HydrophobicContact CE1-CG 3.64Å; Y878-P894 HydrophobicContact CE2-CB 4.26Å; Y878-P894 HydrophobicContact CE2-CG 4.13Å; Y878-P894 HydrophobicContact CG-CB 3.83Å; Y878-P894 HydrophobicContact CG-CG 4.29Å | ||
| 879 | L | 36.4 | Very low | 38.2 | Very low | 80 Ų | 80 | 99.6 Ų | 99.6 | 42% | 0.419 | 52% | 0.524 | S | S | . | . | trans | -76.9 | -30.8 | -179.4 | -154.3 | 83.1 | 0 | 0 | 0 | 113.1 | ||||
| 880 | W | 31.8 | Very low | 38.3 | Very low | 92 Ų | 92 | 98.8 Ų | 98.8 | 35% | 0.348 | 52% | 0.516 | S | S | . | . | trans | -149.7 | 145.4 | -167.7 | -164.6 | 69.6 | 0 | 0 | 0 | 113.5 | L891 | W880-L891 HydrophobicContact CZ3-CB 4.44Š| ||
| 881 | C | 34.5 | Very low | 38.4 | Very low | 80 Ų | 80 | 102 Ų | 102 | 54% | 0.541 | 53% | 0.529 | S | S | . | . | trans | -144.8 | 140.5 | 172.5 | -79.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 882 | S | 36.8 | Very low | 38.4 | Very low | 35 Ų | 35 | 98.5 Ų | 98.5 | 25% | 0.245 | 52% | 0.515 | C | S | . | . | trans | -92.8 | 115.5 | 171 | 177 | 0 | 0 | 0 | 0 | 110.1 | W884 | S882-W884 PolarHBondContact O-N 3.36Š| ||
| 883 | P | 37.8 | Very low | 38.4 | Very low | 75 Ų | 75 | 101.9 Ų | 101.9 | 49% | 0.487 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -3.6 | -179.8 | 30.7 | -35.4 | 0 | 0 | 0 | 113.7 | ||
| 884 | W | 39.1 | Very low | 38.6 | Very low | 129 Ų | 129 | 97.5 Ų | 97.5 | 49% | 0.489 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | -2.8 | -174.7 | -56.2 | 104.2 | 0 | 0 | 0 | 114 | P801 P821 S882 | P801-W884 HydrophobicContact CG-CZ3 4.5Å; P821-W884 HydrophobicContact CB-CE3 4.5Å; P821-W884 HydrophobicContact CB-CZ3 4.22Å; P821-W884 HydrophobicContact CG-CE3 3.72Å; P821-W884 HydrophobicContact CG-CZ3 3.92Å; S882-W884 PolarHBondContact O-N 3.36Å |
| 885 | L | 37.8 | Very low | 38.9 | Very low | 95 Ų | 95 | 90.1 Ų | 90.1 | 50% | 0.497 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -129.3 | 130.5 | -174.8 | -68.8 | 174.4 | 0 | 0 | 0 | 111.5 | N887 | L885-N887 PolarHBondContact O-N 2.8Š|
| 886 | T | 39.2 | Very low | 39.7 | Very low | 85 Ų | 85 | 90.9 Ų | 90.9 | 52% | 0.521 | 47% | 0.469 | S | S | . | . | trans | -71.5 | 115.2 | -177.3 | 56.1 | 0 | 0 | 0 | 0 | 112 | K888 | T886-K888 PolarHBondContact O-N 2.82Š| ||
| 887 | N | 35.2 | Very low | 40.4 | Very low | 62 Ų | 62 | 90.5 Ų | 90.5 | 33% | 0.332 | 47% | 0.473 | S | S | . | . | trans | -52.1 | 120.9 | -175.8 | -74.2 | 3.4 | 0 | 0 | 0 | 114.3 | T870 L885 | T870-N887 HydrophobicContact CG2-CB 3.83Å; T870-N887 PolarHBondContact OG1-ND2 2.86Å; L885-N887 PolarHBondContact O-N 2.8Å | ||
| 888 | K | 37.9 | Very low | 41.3 | Very low | 200 Ų | 200 | 92.8 Ų | 92.8 | 87% | 0.87 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -136.4 | -18.3 | 157.4 | -71.7 | -159.6 | 172.6 | -168.6 | 0 | 114.8 | T886 | T886-K888 PolarHBondContact O-N 2.82Š|
| 889 | T | 36.3 | Very low | 41.8 | Very low | 116 Ų | 116 | 93.2 Ų | 93.2 | 71% | 0.712 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -147.1 | 128.8 | 172.1 | 44.1 | 0 | 0 | 0 | 0 | 108.6 | ||
| 890 | P | 37.8 | Very low | 42.5 | Very low | 100 Ų | 100 | 92.5 Ų | 92.5 | 65% | 0.649 | 49% | 0.486 | S | S | * | . | trans | -67.2 | 146.8 | 168.7 | 30.5 | -34.1 | 0 | 0 | 0 | 109.9 | ||||
| 891 | L | 36.8 | Very low | 43.8 | Very low | 144 Ų | 144 | 93.1 Ų | 93.1 | 75% | 0.754 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -83.1 | -21.1 | 178.6 | -114.5 | 100 | 0 | 0 | 0 | 113.6 | W880 | W880-L891 HydrophobicContact CZ3-CB 4.44Š|
| 892 | I | 40.1 | Very low | 45 | Very low | 99 Ų | 99 | 95.1 Ų | 95.1 | 51% | 0.508 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -141 | 144.7 | -173.9 | -56.4 | 179.2 | 0 | 0 | 0 | 108.1 | ||
| 893 | E | 42.2 | Very low | 45.7 | Very low | 147 Ų | 147 | 99.1 Ų | 99.1 | 69% | 0.687 | 51% | 0.514 | S | S | * | . | P | Polyproline II helix | trans | -84.5 | 141.9 | -179.9 | -163.2 | -176.3 | 156.5 | 0 | 0 | 112.1 | K876 | K876-E893 IonicContact NZ-OE1 3.19Å; K876-E893 PolarHBondContact NZ-OE1 2.96Å |
| 894 | P | 47.4 | Very low | 46.3 | Very low | 9 Ų | 9 | 98.6 Ų | 98.6 | 6% | 0.058 | 51% | 0.509 | C | S | . | . | P | Polyproline II helix | trans | -80 | 155.7 | -178.7 | 30.9 | -36.5 | 0 | 0 | 0 | 115.4 | K876 N877 Y878 | K876-P894 HydrophobicContact CB-CB 3.82Å; K876-P894 HydrophobicContact CB-CG 3.77Å; K876-P894 HydrophobicContact CD-CG 4Å; K876-P894 WeakPolarHBondContact CD-O 3.33Å; K876-P894 PolarHBondContact NZ-O 2.66Å; N877-P894 VanDerWaalsContact C-CB 3.46Å; N877-P894 CarbonylContact O-C 3.56Å; N877-P894 VanDerWaalsContact O-CA 3.3Å; N877-P894 WeakPolarHBondContact O-CA 3.33Å; N877-P894 WeakPolarHBondContact O-CB 3.43Å; Y878-P894 HydrophobicContact CD1-CB 3.85Å; Y878-P894 HydrophobicContact CD1-CG 3.91Å; Y878-P894 HydrophobicContact CD2-CB 4.05Å; Y878-P894 HydrophobicContact CD2-CG 4.4Å; Y878-P894 HydrophobicContact CE1-CB 4.1Å; Y878-P894 HydrophobicContact CE1-CG 3.64Å; Y878-P894 HydrophobicContact CE2-CB 4.26Å; Y878-P894 HydrophobicContact CE2-CG 4.13Å; Y878-P894 HydrophobicContact CG-CB 3.83Å; Y878-P894 HydrophobicContact CG-CG 4.29Å |
| 895 | L | 46 | Very low | 47.3 | Very low | 65 Ų | 65 | 96.4 Ų | 96.4 | 34% | 0.34 | 51% | 0.51 | S | S | . | . | B | Isolated β-bridge | trans | -103.3 | 162.8 | -172.5 | -64.4 | 169.8 | 0 | 0 | 0 | 112.8 | K876 N877 E899 | K876-L895 CarbonylContact C-O 3.54Å; K876-L895 WeakPolarHBondContact CA-O 3.18Å; N877-L895 PolarHBondContact N-O 2.84Å; N877-L895 PolarHBondContact O-N 3.3Å; L895-E899 WeakPolarHBondContact CA-OE2 3.41Å; L895-E899 HydrophobicContact CB-CB 4.43Å; L895-E899 WeakPolarHBondContact CD2-OE2 3.24Å |
| 896 | D | 58.2 | Low | 47.7 | Very low | 70 Ų | 70 | 94.5 Ų | 94.5 | 37% | 0.374 | 50% | 0.499 | S | S | . | . | P | Polyproline II helix | trans | -83.2 | 156.3 | 174.7 | -163.9 | -10.1 | 0 | 0 | 0 | 112.4 | N898 E899 L900 | D896-N898 VanDerWaalsContact C-N 3.26Å; D896-N898 PolarHBondContact O-N 3.13Å; D896-E899 HydrophobicContact CB-CG 4.46Å; D896-E899 PolarHBondContact N-OE2 3.19Å; D896-E899 WeakPolarHBondContact O-CB 3.26Å; D896-E899 PolarHBondContact O-N 3.19Å; D896-E899 VanDerWaalsContact O-N 3.09Å; D896-L900 PolarHBondContact O-N 3.5Å |
| 897 | T | 55.9 | Low | 47.7 | Very low | 68 Ų | 68 | 96.9 Ų | 96.9 | 42% | 0.417 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -45.9 | -40.3 | 171.2 | 55.3 | 0 | 0 | 0 | 0 | 114.6 | N901 | T897-N901 PolarHBondContact O-N 3.33Å; T897-N901 PolarHBondContact O-ND2 3.46Å |
| 898 | N | 61.2 | Low | 48 | Very low | 113 Ų | 113 | 100.2 Ų | 100.2 | 60% | 0.604 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -70.4 | -39.2 | 177.9 | -72.4 | -45 | 0 | 0 | 0 | 112.4 | D896 L902 | D896-N898 VanDerWaalsContact C-N 3.26Å; D896-N898 PolarHBondContact O-N 3.13Å; N898-L902 PolarHBondContact O-N 3.07Å; N898-L902 VanDerWaalsContact O-N 3.16Å |
| 899 | E | 50.3 | Low | 48.1 | Very low | 94 Ų | 94 | 96.4 Ų | 96.4 | 44% | 0.439 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.9 | -40.7 | 176.2 | -58 | 177.8 | 116.5 | 0 | 0 | 110.8 | L895 D896 L902 K903 | L895-E899 WeakPolarHBondContact CA-OE2 3.41Å; L895-E899 HydrophobicContact CB-CB 4.43Å; L895-E899 WeakPolarHBondContact CD2-OE2 3.24Å; D896-E899 HydrophobicContact CB-CG 4.46Å; D896-E899 PolarHBondContact N-OE2 3.19Å; D896-E899 WeakPolarHBondContact O-CB 3.26Å; D896-E899 PolarHBondContact O-N 3.19Å; D896-E899 VanDerWaalsContact O-N 3.09Å; E899-L902 WeakPolarHBondContact O-CB 3.43Å; E899-L902 PolarHBondContact O-N 3.11Å; E899-K903 WeakPolarHBondContact O-CD 3.32Å; E899-K903 PolarHBondContact O-N 2.82Å; E899-K903 VanDerWaalsContact O-N 3.1Å |
| 900 | L | 49.5 | Very low | 48 | Very low | 65 Ų | 65 | 95.6 Ų | 95.6 | 34% | 0.34 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.5 | -47.8 | 176.8 | -175.7 | 66.1 | 0 | 0 | 0 | 112 | N877 D896 L902 K903 V904 | N877-L900 HydrophobicContact CB-CD2 4.24Å; N877-L900 WeakPolarHBondContact ND2-CD2 3.15Å; D896-L900 PolarHBondContact O-N 3.5Å; L900-L902 VanDerWaalsContact C-N 3.3Å; L900-L902 PolarHBondContact O-N 2.98Å; L900-K903 PolarHBondContact O-N 2.8Å; L900-K903 VanDerWaalsContact O-N 3.16Å; L900-V904 HydrophobicContact CD1-CG2 4.44Å; L900-V904 HydrophobicContact CG-CG2 4.48Å; L900-V904 WeakPolarHBondContact O-CG2 3.04Å; L900-V904 PolarHBondContact O-N 3.41Å |
| 901 | N | 59.5 | Low | 47.9 | Very low | 104 Ų | 104 | 98.6 Ų | 98.6 | 56% | 0.556 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -59.5 | -41.2 | 177.2 | -84.2 | -31.3 | 0 | 0 | 0 | 112 | T897 K903 V904 V905 | T897-N901 PolarHBondContact O-N 3.33Å; T897-N901 PolarHBondContact O-ND2 3.46Å; N901-K903 PolarHBondContact O-N 2.94Å; N901-V904 PolarHBondContact O-N 3.32Å; N901-V905 WeakPolarHBondContact O-CG2 3.34Å; N901-V905 PolarHBondContact O-N 3.12Å; N901-V905 VanDerWaalsContact O-N 3.13Å |
| 902 | L | 60 | Low | 48 | Very low | 123 Ų | 123 | 95.6 Ų | 95.6 | 64% | 0.644 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -57 | -48.1 | 173.8 | -104.1 | 162.8 | 0 | 0 | 0 | 111.7 | N898 E899 L900 E906 | N898-L902 PolarHBondContact O-N 3.07Å; N898-L902 VanDerWaalsContact O-N 3.16Å; E899-L902 WeakPolarHBondContact O-CB 3.43Å; E899-L902 PolarHBondContact O-N 3.11Å; L900-L902 VanDerWaalsContact C-N 3.3Å; L900-L902 PolarHBondContact O-N 2.98Å; L902-E906 WeakPolarHBondContact O-CB 3.37Å; L902-E906 PolarHBondContact O-N 2.79Å; L902-E906 VanDerWaalsContact O-N 3.1Å |
| 903 | K | 51.9 | Low | 48 | Very low | 119 Ų | 119 | 95.6 Ų | 95.6 | 52% | 0.517 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -71 | -29.7 | -178.9 | -93.8 | 69.3 | -171.9 | 85 | 0 | 113.9 | E899 L900 N901 E906 Q907 | E899-K903 WeakPolarHBondContact O-CD 3.32Å; E899-K903 PolarHBondContact O-N 2.82Å; E899-K903 VanDerWaalsContact O-N 3.1Å; L900-K903 PolarHBondContact O-N 2.8Å; L900-K903 VanDerWaalsContact O-N 3.16Å; N901-K903 PolarHBondContact O-N 2.94Å; K903-E906 IonicContact NZ-OE2 3.4Å; K903-E906 PolarHBondContact NZ-OE2 2.91Å; K903-Q907 PolarHBondContact O-N 3.46Å; K903-Q907 VanDerWaalsContact O-N 3.08Å |
| 904 | V | 51 | Low | 47.7 | Very low | 64 Ų | 64 | 92.6 Ų | 92.6 | 39% | 0.388 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -70.2 | -43.1 | 175.3 | 171.1 | 0 | 0 | 0 | 0 | 111.5 | L900 N901 E906 Q907 Q908 | L900-V904 HydrophobicContact CD1-CG2 4.44Å; L900-V904 HydrophobicContact CG-CG2 4.48Å; L900-V904 WeakPolarHBondContact O-CG2 3.04Å; L900-V904 PolarHBondContact O-N 3.41Å; N901-V904 PolarHBondContact O-N 3.32Å; V904-E906 VanDerWaalsContact C-N 3.34Å; V904-Q907 PolarHBondContact O-N 3.49Å; V904-Q908 PolarHBondContact O-N 2.74Å |
| 905 | V | 59.1 | Low | 47.1 | Very low | 83 Ų | 83 | 99.6 Ų | 99.6 | 50% | 0.503 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.3 | -44.1 | 174.6 | 173.8 | 0 | 0 | 0 | 0 | 110.6 | N901 Q907 Q908 Q909 | N901-V905 WeakPolarHBondContact O-CG2 3.34Å; N901-V905 PolarHBondContact O-N 3.12Å; N901-V905 VanDerWaalsContact O-N 3.13Å; V905-Q907 VanDerWaalsContact C-N 3.29Å; V905-Q907 PolarHBondContact O-N 2.86Å; V905-Q908 PolarHBondContact O-N 3.32Å; V905-Q909 PolarHBondContact O-N 3.35Å |
| 906 | E | 46.5 | Very low | 46.6 | Very low | 55 Ų | 55 | 101 Ų | 101 | 26% | 0.257 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -57 | -38 | 175.8 | -164.3 | -168.8 | 145.5 | 0 | 0 | 112.6 | L902 K903 V904 R910 | L902-E906 WeakPolarHBondContact O-CB 3.37Å; L902-E906 PolarHBondContact O-N 2.79Å; L902-E906 VanDerWaalsContact O-N 3.1Å; K903-E906 IonicContact NZ-OE2 3.4Å; K903-E906 PolarHBondContact NZ-OE2 2.91Å; V904-E906 VanDerWaalsContact C-N 3.34Å; E906-R910 WeakPolarHBondContact O-CG 3.26Å; E906-R910 IonicContact OE1-CZ 3.74Å; E906-R910 IonicContact OE1-NH1 2.66Å; E906-R910 PolarHBondContact OE1-NH1 2.89Å; E906-R910 IonicContact OE1-NH2 2.65Å; E906-R910 PolarHBondContact OE1-NH2 3.48Å |
| 907 | Q | 39.6 | Very low | 45.6 | Very low | 135 Ų | 135 | 103.5 Ų | 103.5 | 63% | 0.631 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -74.2 | -40.8 | 174.1 | -96 | -165 | -13.8 | 0 | 0 | 114.1 | K903 V904 V905 Q909 R910 Y911 | K903-Q907 PolarHBondContact O-N 3.46Å; K903-Q907 VanDerWaalsContact O-N 3.08Å; V904-Q907 PolarHBondContact O-N 3.49Å; V905-Q907 VanDerWaalsContact C-N 3.29Å; V905-Q907 PolarHBondContact O-N 2.86Å; Q907-Q909 VanDerWaalsContact C-N 3.31Å; Q907-Q909 PolarHBondContact O-N 3.1Å; Q907-R910 PolarHBondContact O-N 3.13Å; Q907-Y911 PolarHBondContact O-N 2.76Å |
| 908 | Q | 40.4 | Very low | 44.4 | Very low | 131 Ų | 131 | 107 Ų | 107 | 61% | 0.612 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64 | -39 | -179.5 | -75.5 | -175.6 | -13.6 | 0 | 0 | 111.8 | V904 V905 Y911 E912 | V904-Q908 PolarHBondContact O-N 2.74Å; V905-Q908 PolarHBondContact O-N 3.32Å; Q908-Y911 PolarHBondContact O-N 3.28Å; Q908-E912 PolarHBondContact O-N 3.06Å; Q908-E912 VanDerWaalsContact O-N 3.15Å |
| 909 | Q | 39.6 | Very low | 43 | Very low | 121 Ų | 121 | 105.7 Ų | 105.7 | 57% | 0.565 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.7 | -44.1 | 179.5 | -158.3 | 159.7 | -0.5 | 0 | 0 | 111.4 | V905 Q907 Y911 E912 D913 | V905-Q909 PolarHBondContact O-N 3.35Å; Q907-Q909 VanDerWaalsContact C-N 3.31Å; Q907-Q909 PolarHBondContact O-N 3.1Å; Q909-Y911 VanDerWaalsContact C-N 3.3Å; Q909-Y911 PolarHBondContact O-N 3.43Å; Q909-E912 PolarHBondContact O-N 2.8Å; Q909-D913 PolarHBondContact O-N 3.31Å |
| 910 | R | 34.8 | Very low | 41.9 | Very low | 99 Ų | 99 | 105.3 Ų | 105.3 | 37% | 0.374 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -57.7 | -37.1 | 173.3 | -72.4 | 173.2 | 178.4 | 139.7 | 16.9 | 113.8 | E302 E906 Q907 E914 | E302-R910 IonicContact OE1-CZ 3.43Å; E302-R910 IonicContact OE1-NE 3.85Å; E302-R910 IonicContact OE1-NH2 3.21Å; E302-R910 PolarHBondContact OE1-NH2 2.91Å; E302-R910 IonicContact OE2-CZ 2.9Å; E302-R910 IonicContact OE2-NE 3.59Å; E302-R910 PolarHBondContact OE2-NE 2.99Å; E302-R910 IonicContact OE2-NH2 3.76Å; E302-R910 PolarHBondContact OE2-NH2 3.26Å; E906-R910 WeakPolarHBondContact O-CG 3.26Å; E906-R910 IonicContact OE1-CZ 3.74Å; E906-R910 IonicContact OE1-NH1 2.66Å; E906-R910 PolarHBondContact OE1-NH1 2.89Å; E906-R910 IonicContact OE1-NH2 2.65Å; E906-R910 PolarHBondContact OE1-NH2 3.48Å; Q907-R910 PolarHBondContact O-N 3.13Å; R910-E914 PolarHBondContact O-N 2.98Å |
| 911 | Y | 36.2 | Very low | 40.6 | Very low | 162 Ų | 162 | 106 Ų | 106 | 64% | 0.635 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -73.1 | -38.9 | -179.8 | -165.7 | -93.5 | 0 | 0 | 0 | 112.5 | Q907 Q908 Q909 R915 | Q907-Y911 PolarHBondContact O-N 2.76Å; Q908-Y911 PolarHBondContact O-N 3.28Å; Q909-Y911 VanDerWaalsContact C-N 3.3Å; Q909-Y911 PolarHBondContact O-N 3.43Å; Y911-R915 VanDerWaalsContact O-CB 3.23Å; Y911-R915 WeakPolarHBondContact O-CB 3.36Å; Y911-R915 PolarHBondContact O-N 2.94Å |
| 912 | E | 39.5 | Very low | 38.9 | Very low | 81 Ų | 81 | 104.1 Ų | 104.1 | 38% | 0.379 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66 | -40.7 | 170.8 | -84.8 | -68.9 | 127.6 | 0 | 0 | 111.5 | Q908 Q909 R915 N916 | Q908-E912 PolarHBondContact O-N 3.06Å; Q908-E912 VanDerWaalsContact O-N 3.15Å; Q909-E912 PolarHBondContact O-N 2.8Å; E912-R915 PolarHBondContact O-N 2.84Å; E912-R915 IonicContact OE1-CZ 3.4Å; E912-R915 IonicContact OE1-NH1 3.6Å; E912-R915 PolarHBondContact OE1-NH1 2.82Å; E912-N916 WeakPolarHBondContact O-CB 3.34Å; E912-N916 VanDerWaalsContact O-CG 3.29Å; E912-N916 PolarHBondContact O-N 2.84Å; E912-N916 PolarHBondContact O-ND2 3.5Å; E912-N916 PolarHBondContact OE2-ND2 3.47Å |
| 913 | D | 38.6 | Very low | 37 | Very low | 99 Ų | 99 | 107.4 Ų | 107.4 | 53% | 0.529 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.7 | -44.5 | 177.8 | -73.2 | -25.7 | 0 | 0 | 0 | 112.1 | Q909 R915 N916 F917 | Q909-D913 PolarHBondContact O-N 3.31Å; D913-R915 PolarHBondContact O-N 2.85Å; D913-N916 PolarHBondContact O-N 3.03Å; D913-F917 VanDerWaalsContact O-CB 3.3Å; D913-F917 WeakPolarHBondContact O-CB 3.38Å; D913-F917 PolarHBondContact O-N 3.17Å |
| 914 | E | 35.6 | Very low | 35.8 | Very low | 85 Ų | 85 | 105.5 Ų | 105.5 | 40% | 0.397 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.8 | -42.2 | 172.6 | -76.9 | -160.9 | 151.9 | 0 | 0 | 111.9 | R304 R910 N916 F917 F918 | R304-E914 IonicContact CZ-OE1 2.65Å; R304-E914 IonicContact NH2-OE1 3.6Å; R304-E914 PolarHBondContact NH2-OE1 2.93Å; R910-E914 PolarHBondContact O-N 2.98Å; E914-N916 PolarHBondContact O-N 2.83Å; E914-F917 PolarHBondContact O-N 2.92Å; E914-F918 HydrophobicContact CB-CD2 4.17Å; E914-F918 HydrophobicContact CB-CE2 3.95Å; E914-F918 HydrophobicContact CG-CE2 4.31Å; E914-F918 WeakPolarHBondContact O-CB 3.33Å; E914-F918 WeakPolarHBondContact O-CD2 3.42Å; E914-F918 WeakPolarHBondContact O-CG 3.41Å; E914-F918 PolarHBondContact O-N 2.86Å |
| 915 | R | 35.9 | Very low | 34.5 | Very low | 155 Ų | 155 | 108.1 Ų | 108.1 | 59% | 0.585 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64.9 | -39.4 | 179.2 | -175.3 | -174.4 | -174.9 | -155.4 | 1.4 | 113.1 | Y911 E912 D913 S919 | Y911-R915 VanDerWaalsContact O-CB 3.23Å; Y911-R915 WeakPolarHBondContact O-CB 3.36Å; Y911-R915 PolarHBondContact O-N 2.94Å; E912-R915 PolarHBondContact O-N 2.84Å; E912-R915 IonicContact OE1-CZ 3.4Å; E912-R915 IonicContact OE1-NH1 3.6Å; E912-R915 PolarHBondContact OE1-NH1 2.82Å; D913-R915 PolarHBondContact O-N 2.85Å; R915-S919 PolarHBondContact O-N 2.94Å; R915-S919 PolarHBondContact O-OG 3.37Å |
| 916 | N | 36.3 | Very low | 32.8 | Very low | 95 Ų | 95 | 109.7 Ų | 109.7 | 51% | 0.508 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -74.1 | -30.6 | 177.5 | -71.3 | -51.7 | 0 | 0 | 0 | 111.3 | E912 D913 E914 S919 | E912-N916 WeakPolarHBondContact O-CB 3.34Å; E912-N916 VanDerWaalsContact O-CG 3.29Å; E912-N916 PolarHBondContact O-N 2.84Å; E912-N916 PolarHBondContact O-ND2 3.5Å; E912-N916 PolarHBondContact OE2-ND2 3.47Å; D913-N916 PolarHBondContact O-N 3.03Å; E914-N916 PolarHBondContact O-N 2.83Å; N916-S919 PolarHBondContact O-OG 3.4Å |
| 917 | F | 35.4 | Very low | 31.7 | Very low | 122 Ų | 122 | 110 Ų | 110 | 54% | 0.535 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -68.6 | -48 | 171 | -173.8 | -95.2 | 0 | 0 | 0 | 112.3 | D913 E914 S919 | D913-F917 VanDerWaalsContact O-CB 3.3Å; D913-F917 WeakPolarHBondContact O-CB 3.38Å; D913-F917 PolarHBondContact O-N 3.17Å; E914-F917 PolarHBondContact O-N 2.92Å; F917-S919 VanDerWaalsContact C-N 3.34Å; F917-S919 PolarHBondContact O-N 2.89Å |
| 918 | F | 31.5 | Very low | 31.1 | Very low | 141 Ų | 141 | 105.9 Ų | 105.9 | 62% | 0.618 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -75.3 | -14 | -175.6 | -68.8 | -53.9 | 0 | 0 | 0 | 115.2 | E914 A920 | E914-F918 HydrophobicContact CB-CD2 4.17Å; E914-F918 HydrophobicContact CB-CE2 3.95Å; E914-F918 HydrophobicContact CG-CE2 4.31Å; E914-F918 WeakPolarHBondContact O-CB 3.33Å; E914-F918 WeakPolarHBondContact O-CD2 3.42Å; E914-F918 WeakPolarHBondContact O-CG 3.41Å; E914-F918 PolarHBondContact O-N 2.86Å; F918-A920 VanDerWaalsContact C-N 3.34Å |
| 919 | S | 31.2 | Very low | 30.5 | Very low | 87 Ų | 87 | 103 Ų | 103 | 61% | 0.608 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -7.7 | 178.8 | 45 | 0 | 0 | 0 | 0 | 114.3 | R915 N916 F917 G921 | R915-S919 PolarHBondContact O-N 2.94Å; R915-S919 PolarHBondContact O-OG 3.37Å; N916-S919 PolarHBondContact O-OG 3.4Å; F917-S919 VanDerWaalsContact C-N 3.34Å; F917-S919 PolarHBondContact O-N 2.89Å; S919-G921 VanDerWaalsContact C-N 3.26Å; S919-G921 PolarHBondContact O-N 2.89Å |
| 920 | A | 27 | Very low | 29.8 | Very low | 85 Ų | 85 | 103 Ų | 103 | 70% | 0.702 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -78.8 | 62.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | F918 G922 | F918-A920 VanDerWaalsContact C-N 3.34Å; A920-G922 PolarHBondContact O-N 3.4Å |
| 921 | G | 24 | Very low | 29.3 | Very low | 79 Ų | 79 | 107.3 Ų | 107.3 | 81% | 0.814 | 61% | 0.607 | S | S | * | * | trans | -61.6 | 118.1 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | S919 | S919-G921 VanDerWaalsContact C-N 3.26Å; S919-G921 PolarHBondContact O-N 2.89Å | ||
| 922 | G | 22.1 | Very low | 28.7 | Very low | 66 Ų | 66 | 109.2 Ų | 109.2 | 68% | 0.68 | 62% | 0.618 | S | S | * | * | trans | -148.4 | 146.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A920 | A920-G922 PolarHBondContact O-N 3.4Š| ||
| 923 | E | 21.6 | Very low | 27.8 | Very low | 191 Ų | 191 | 112.5 Ų | 112.5 | 89% | 0.893 | 64% | 0.639 | S | S | * | * | trans | -83.2 | 128.5 | -177.2 | -64.5 | -176.1 | 150.2 | 0 | 0 | 112 | ||||
| 924 | P | 26.1 | Very low | 27.1 | Very low | 79 Ų | 79 | 113.5 Ų | 113.5 | 51% | 0.513 | 65% | 0.653 | S | S | . | * | trans | -92.2 | 116.8 | -179.3 | 33.4 | -31.7 | 0 | 0 | 0 | 112.8 | I943 | P924-I943 HydrophobicContact CB-CD1 4.34Å; P924-I943 HydrophobicContact CB-CG2 4.26Å | ||
| 925 | V | 23.1 | Very low | 26.4 | Very low | 120 Ų | 120 | 114.6 Ų | 114.6 | 73% | 0.727 | 67% | 0.67 | S | S | * | * | trans | -132.2 | 117.7 | 170.4 | -177.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 926 | V | 23.5 | Very low | 25.8 | Very low | 115 Ų | 115 | 117.2 Ų | 117.2 | 70% | 0.697 | 69% | 0.686 | S | S | * | * | trans | -131.9 | 119.8 | 170.8 | -177.7 | 0 | 0 | 0 | 0 | 108.5 | I943 | V926-I943 HydrophobicContact CG2-CD1 3.92Š| ||
| 927 | S | 24.3 | Very low | 25.2 | Very low | 63 Ų | 63 | 121 Ų | 121 | 44% | 0.441 | 70% | 0.7 | S | S | . | * | trans | -112.8 | 144.6 | 179.2 | 47.6 | 0 | 0 | 0 | 0 | 111.7 | G929 D930 | S927-G929 PolarHBondContact O-N 2.83Å; S927-D930 PolarHBondContact OG-OD2 3.36Å | ||
| 928 | F | 25.6 | Very low | 24.5 | Very low | 47 Ų | 47 | 119.7 Ų | 119.7 | 21% | 0.206 | 71% | 0.706 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -69.3 | 116.7 | 169 | -87.1 | -90.5 | 0 | 0 | 0 | 111 | V226 R227 S229 I279 T315 | V226-F928 HydrophobicContact CB-CE2 4.14Å; V226-F928 HydrophobicContact CG1-CD2 4.25Å; V226-F928 HydrophobicContact CG1-CE2 3.49Å; V226-F928 VanDerWaalsContact CG1-CE2 3.49Å; V226-F928 HydrophobicContact CG1-CZ 4.03Å; R227-F928 WeakPolarHBondContact O-CD2 3.39Å; S229-F928 WeakPolarHBondContact CB-O 3.4Å; I279-F928 HydrophobicContact CD1-CE1 4.19Å; I279-F928 HydrophobicContact CD1-CZ 4.32Å; T315-F928 HydrophobicContact CG2-CD1 4.47Å; T315-F928 HydrophobicContact CG2-CE1 4.29Å |
| 929 | G | 28.6 | Very low | 23.9 | Very low | 72 Ų | 72 | 119 Ų | 119 | 74% | 0.742 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 100.6 | 16.3 | 157.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | S927 | S927-G929 PolarHBondContact O-N 2.83Š|
| 930 | D | 24.2 | Very low | 23.4 | Very low | 119 Ų | 119 | 121.6 Ų | 121.6 | 64% | 0.636 | 72% | 0.716 | S | S | * | * | trans | -106.6 | 134.2 | 169.6 | -56.6 | -61.6 | 0 | 0 | 0 | 109.8 | S927 | S927-D930 PolarHBondContact OG-OD2 3.36Š| ||
| 931 | E | 24.4 | Very low | 23.1 | Very low | 191 Ų | 191 | 125.6 Ų | 125.6 | 89% | 0.893 | 72% | 0.721 | S | S | * | * | trans | -79.9 | 130.1 | -173.2 | -68.6 | 167 | 167 | 0 | 0 | 112.3 | N933 | E931-N933 PolarHBondContact O-N 3.12Š| ||
| 932 | F | 23.9 | Very low | 23 | Very low | 201 Ų | 201 | 128.8 Ų | 128.8 | 88% | 0.882 | 72% | 0.717 | S | S | * | * | trans | -90.6 | 106.7 | -171.8 | -132.7 | -83.6 | 0 | 0 | 0 | 112 | ||||
| 933 | N | 21.9 | Very low | 23 | Very low | 151 Ų | 151 | 129.8 Ų | 129.8 | 81% | 0.807 | 71% | 0.706 | S | S | * | * | trans | -65.3 | 136.7 | 173.4 | -91 | -83.5 | 0 | 0 | 0 | 111.6 | E931 S935 | E931-N933 PolarHBondContact O-N 3.12Å; N933-S935 PolarHBondContact O-N 2.82Å | ||
| 934 | S | 23.4 | Very low | 23 | Very low | 119 Ų | 119 | 127.8 Ų | 127.8 | 83% | 0.832 | 70% | 0.7 | S | S | * | * | trans | -92.6 | 97.3 | -162.9 | 48.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 935 | S | 21.4 | Very low | 22.8 | Very low | 108 Ų | 108 | 129.9 Ų | 129.9 | 76% | 0.755 | 71% | 0.705 | S | S | * | * | trans | -165.5 | 95.5 | 150.1 | 63.8 | 0 | 0 | 0 | 0 | 114 | N933 | N933-S935 PolarHBondContact O-N 2.82Š| ||
| 936 | K | 23.2 | Very low | 22.6 | Very low | 211 Ų | 211 | 132.2 Ų | 132.2 | 92% | 0.917 | 71% | 0.707 | S | S | * | * | trans | -174.2 | 157.1 | 141.4 | -104.8 | 157.4 | -171.9 | 179.1 | 0 | 113.2 | ||||
| 937 | H | 22.2 | Very low | 22.5 | Very low | 174 Ų | 174 | 132.8 Ų | 132.8 | 81% | 0.806 | 71% | 0.714 | S | S | * | * | trans | -66.6 | 148.4 | -167.1 | -71.2 | -97.7 | 0 | 0 | 0 | 116.5 | ||||
| 938 | S | 20.4 | Very low | 22.4 | Very low | 95 Ų | 95 | 138.2 Ų | 138.2 | 66% | 0.664 | 73% | 0.732 | S | S | * | * | trans | 51 | 116.4 | 135.8 | 67.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 939 | T | 20.1 | Very low | 22.3 | Very low | 125 Ų | 125 | 146.5 Ų | 146.5 | 77% | 0.767 | 76% | 0.762 | S | S | * | * | trans | 52.4 | 130.8 | 133.1 | 56.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 940 | E | 20.8 | Very low | 21.8 | Very low | 142 Ų | 142 | 150 Ų | 150 | 66% | 0.664 | 76% | 0.764 | S | S | * | * | trans | 68.7 | 82.3 | 164.3 | -62.1 | -176.1 | -150.6 | 0 | 0 | 117.5 | ||||
| 941 | Q | 20.1 | Very low | 21.6 | Very low | 170 Ų | 170 | 150.3 Ų | 150.3 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | trans | -134.5 | 96.3 | 151.9 | -71.2 | -165.6 | -18.6 | 0 | 0 | 110.5 | ||||
| 942 | I | 21.1 | Very low | 21.3 | Very low | 145 Ų | 145 | 150.8 Ų | 150.8 | 74% | 0.744 | 77% | 0.773 | S | S | * | * | trans | -86.9 | 106.1 | 170.7 | -61.4 | 176.4 | 0 | 0 | 0 | 108 | I944 | I942-I944 HydrophobicContact CG2-CG1 4.38Å; I942-I944 PolarHBondContact O-N 2.89Å | ||
| 943 | I | 23.2 | Very low | 21.1 | Very low | 87 Ų | 87 | 153 Ų | 153 | 45% | 0.446 | 78% | 0.776 | S | S | . | * | trans | -86.2 | 108.4 | -175.6 | -57.2 | 175.2 | 0 | 0 | 0 | 110.2 | P924 V926 | P924-I943 HydrophobicContact CB-CD1 4.34Å; P924-I943 HydrophobicContact CB-CG2 4.26Å; V926-I943 HydrophobicContact CG2-CD1 3.92Å | ||
| 944 | I | 22 | Very low | 20.9 | Very low | 149 Ų | 149 | 154.4 Ų | 154.4 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | trans | -105 | 111.4 | 169.8 | -58.7 | 175.6 | 0 | 0 | 0 | 108.3 | I942 | I942-I944 HydrophobicContact CG2-CG1 4.38Å; I942-I944 PolarHBondContact O-N 2.89Å | ||
| 945 | M | 20.4 | Very low | 20.6 | Very low | 124 Ų | 124 | 153.8 Ų | 153.8 | 61% | 0.611 | 77% | 0.773 | S | S | * | * | trans | -76.8 | 128.7 | 178.1 | -75.8 | -156 | -57.7 | 0 | 0 | 112.7 | ||||
| 946 | Q | 20.6 | Very low | 20.5 | Very low | 168 Ų | 168 | 157.9 Ų | 157.9 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | -91 | 156.1 | 142.2 | -76.4 | -153.3 | 21.6 | 0 | 0 | 110.3 | E948 | Q946-E948 PolarHBondContact O-N 2.93Å; Q946-E948 VanDerWaalsContact O-N 3.13Å | ||
| 947 | P | 20.6 | Very low | 20.2 | Very low | 128 Ų | 128 | 155.5 Ų | 155.5 | 83% | 0.831 | 78% | 0.776 | S | S | * | * | trans | -77.1 | 100.4 | -173 | 29.4 | -35.3 | 0 | 0 | 0 | 113.2 | ||||
| 948 | E | 23 | Very low | 20 | Very low | 177 Ų | 177 | 152.5 Ų | 152.5 | 83% | 0.827 | 78% | 0.775 | S | S | * | * | trans | -73.5 | 167.3 | -178.9 | -69.4 | -140.7 | 122.7 | 0 | 0 | 116.2 | Q946 | Q946-E948 PolarHBondContact O-N 2.93Å; Q946-E948 VanDerWaalsContact O-N 3.13Å | ||
| 949 | R | 21.8 | Very low | 19.8 | Very low | 220 Ų | 220 | 154 Ų | 154 | 83% | 0.83 | 78% | 0.783 | S | S | * | * | trans | -96.3 | 151.6 | -171.2 | -67.2 | 178.3 | 174.3 | 169.5 | 0.8 | 113.2 | ||||
| 950 | N | 19.1 | Very low | 19.7 | Very low | 146 Ų | 146 | 155 Ų | 155 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | trans | -84.3 | 115.6 | 170.6 | -74.5 | -102.5 | 0 | 0 | 0 | 110.8 | ||||
| 951 | C | 20.8 | Very low | 19.5 | Very low | 125 Ų | 125 | 156.2 Ų | 156.2 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | trans | -127.9 | 96.7 | 169.4 | -80.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 952 | F | 18.1 | Very low | 19.3 | Very low | 202 Ų | 202 | 152.2 Ų | 152.2 | 89% | 0.886 | 77% | 0.773 | S | S | * | * | trans | -102.4 | 120.4 | 162.4 | -110.6 | -87.1 | 0 | 0 | 0 | 108.6 | ||||
| 953 | R | 18.4 | Very low | 19.2 | Very low | 247 Ų | 247 | 150 Ų | 150 | 93% | 0.932 | 77% | 0.771 | S | S | * | * | trans | -165.8 | 137.5 | 146.7 | -116.1 | 168.3 | -169.9 | -156.8 | -2.8 | 113.8 | ||||
| 954 | Q | 17.8 | Very low | 18.9 | Very low | 181 Ų | 181 | 150.9 Ų | 150.9 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | trans | -95.7 | 139 | 171 | -61.7 | 152.9 | -57.5 | 0 | 0 | 109.7 | ||||
| 955 | S | 18.4 | Very low | 18.7 | Very low | 106 Ų | 106 | 151.1 Ų | 151.1 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | trans | -163.3 | 92.3 | 153.4 | 51.6 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 956 | Q | 18.1 | Very low | 18.5 | Very low | 194 Ų | 194 | 149.5 Ų | 149.5 | 91% | 0.907 | 79% | 0.788 | S | S | * | * | 51.5 | 94.8 | 93.6 | -71.4 | -167.4 | -27.8 | 0 | 0 | 112.3 | |||||
| 957 | I | 18.1 | Very low | 18.4 | Very low | 160 Ų | 160 | 143 Ų | 143 | 82% | 0.821 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 124.9 | 158.1 | -65.5 | 174.9 | 0 | 0 | 0 | 106.3 | ||
| 958 | S | 17.1 | Very low | 18.3 | Very low | 112 Ų | 112 | 140.1 Ų | 140.1 | 78% | 0.783 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -90 | 117.3 | 177.9 | 45.6 | 0 | 0 | 0 | 0 | 110.9 | ||
| 959 | C | 17.2 | Very low | 18.2 | Very low | 125 Ų | 125 | 134.3 Ų | 134.3 | 85% | 0.845 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 135.9 | 165.9 | -70.5 | 0 | 0 | 0 | 0 | 110 | ||
| 960 | Q | 17 | Very low | 18 | Very low | 147 Ų | 147 | 127.6 Ų | 127.6 | 69% | 0.687 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 161.3 | 179.3 | -56.8 | -178 | -11.3 | 0 | 0 | 111.4 | ||
| 961 | K | 16.5 | Very low | 18 | Very low | 167 Ų | 167 | 125.4 Ų | 125.4 | 73% | 0.726 | 71% | 0.706 | S | S | * | * | trans | 67.1 | 154.6 | 149.2 | -73 | 155.8 | 180 | 160 | 0 | 117.3 | ||||
| 962 | S | 16.9 | Very low | 17.8 | Very low | 86 Ų | 86 | 124.9 Ų | 124.9 | 60% | 0.601 | 70% | 0.703 | S | S | * | * | cis | -169.9 | 138.6 | -24 | 49.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 963 | S | 17.2 | Very low | 17.9 | Very low | 99 Ų | 99 | 119.9 Ų | 119.9 | 69% | 0.692 | 69% | 0.693 | S | S | * | * | trans | 29.9 | 160.9 | 142.5 | 62.2 | 0 | 0 | 0 | 0 | 123 | ||||
| 964 | S | 17.9 | Very low | 17.9 | Very low | 106 Ų | 106 | 114.8 Ų | 114.8 | 74% | 0.741 | 68% | 0.682 | S | S | * | * | trans | 81.6 | 138.9 | 168.2 | 87.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 965 | L | 17.1 | Very low | 18 | Very low | 154 Ų | 154 | 114 Ų | 114 | 81% | 0.806 | 68% | 0.678 | S | S | * | * | cis | -155.2 | 167.3 | -15.5 | -146.5 | 66.5 | 0 | 0 | 0 | 110.1 | ||||
| 966 | S | 17.9 | Very low | 18.1 | Very low | 90 Ų | 90 | 118.4 Ų | 118.4 | 63% | 0.629 | 68% | 0.68 | S | S | * | * | trans | 16.5 | 139.1 | 147.7 | 64 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 967 | S | 18.3 | Very low | 18.3 | Very low | 30 Ų | 30 | 114.2 Ų | 114.2 | 21% | 0.21 | 66% | 0.663 | C | S | . | * | -175 | 127.1 | 62.7 | 33.2 | 0 | 0 | 0 | 0 | 116 | N1505 N1506 C1507 | S967-N1505 WeakPolarHBondContact CB-OD1 3.19Å; S967-N1505 WeakPolarHBondContact OG-CA 3.47Å; S967-N1505 PolarHBondContact OG-N 3.11Å; S967-N1505 PolarHBondContact OG-OD1 2.88Å; S967-N1506 CarbonylContact O-C 3.54Å; S967-N1506 VanDerWaalsContact O-C 3.25Å; S967-N1506 WeakPolarHBondContact O-CA 3.23Å; S967-N1506 PolarHBondContact O-N 3.08Å; S967-C1507 PolarHBondContact O-N 2.88Å; S967-C1507 PolarHBondContact O-SG 2.78Å | |||
| 968 | S | 18.7 | Very low | 18.4 | Very low | 68 Ų | 68 | 112.7 Ų | 112.7 | 48% | 0.476 | 66% | 0.657 | S | S | . | * | trans | 69.6 | -147.7 | 138.3 | 62.3 | 0 | 0 | 0 | 0 | 122.1 | N1505 N1506 C1507 | S968-N1505 WeakPolarHBondContact OG-CB 3.07Å; S968-N1505 PolarHBondContact OG-ND2 2.93Å; S968-N1506 VanDerWaalsContact CB-OD1 3.26Å; S968-N1506 WeakPolarHBondContact CB-OD1 3.08Å; S968-N1506 PolarHBondContact OG-OD1 2.85Å; S968-C1507 WeakPolarHBondContact O-CB 3.23Å; S968-C1507 PolarHBondContact O-N 2.88Å | ||
| 969 | S | 19.1 | Very low | 18.6 | Very low | 56 Ų | 56 | 114.5 Ų | 114.5 | 39% | 0.392 | 65% | 0.653 | S | S | . | * | trans | -69.5 | -169.3 | -147.1 | 79.5 | 0 | 0 | 0 | 0 | 116.1 | N1506 C1507 | S969-N1506 WeakPolarHBondContact CB-OD1 3.36Å; S969-N1506 PolarHBondContact N-OD1 2.91Å; S969-N1506 CarbonylContact O-C 3.58Å; S969-N1506 WeakPolarHBondContact O-CB 3.27Å; S969-N1506 PolarHBondContact OG-ND2 3.23Å; S969-N1506 PolarHBondContact OG-OD1 3.47Å; S969-C1507 CarbonylContact O-C 3.5Å; S969-C1507 PolarHBondContact O-N 3.27Å | ||
| 970 | S | 18.2 | Very low | 18.7 | Very low | 79 Ų | 79 | 113.4 Ų | 113.4 | 55% | 0.552 | 65% | 0.646 | S | S | * | * | cis | -152.4 | 148.2 | 11.5 | -4.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 971 | S | 18.5 | Very low | 18.7 | Very low | 100 Ų | 100 | 112.6 Ų | 112.6 | 70% | 0.699 | 65% | 0.647 | S | S | * | * | trans | 33.9 | 97.4 | 143.5 | 65 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 972 | S | 18.2 | Very low | 18.8 | Very low | 114 Ų | 114 | 111.4 Ų | 111.4 | 80% | 0.797 | 64% | 0.644 | S | S | * | * | 78.7 | 125.8 | 87.4 | 71.5 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 973 | S | 19.1 | Very low | 18.9 | Very low | 96 Ų | 96 | 113.3 Ų | 113.3 | 67% | 0.671 | 65% | 0.646 | S | S | * | * | trans | -167.5 | 130.7 | 140.8 | -167.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 974 | M | 18.7 | Very low | 19 | Very low | 141 Ų | 141 | 114.2 Ų | 114.2 | 70% | 0.695 | 65% | 0.647 | S | S | * | * | trans | 29.4 | 98.7 | 159.9 | -49.4 | -50.1 | 128.2 | 0 | 0 | 116.3 | Y976 | M974-Y976 HydrophobicContact SD-CE2 4.34Š| ||
| 975 | H | 20 | Very low | 19.1 | Very low | 164 Ų | 164 | 114.1 Ų | 114.1 | 76% | 0.759 | 64% | 0.642 | S | S | * | * | cis | 53.4 | 80.1 | 30.5 | -88.9 | -70.6 | 0 | 0 | 0 | 113.5 | ||||
| 976 | Y | 19.7 | Very low | 19.1 | Very low | 199 Ų | 199 | 113.4 Ų | 113.4 | 78% | 0.78 | 64% | 0.639 | S | S | * | * | trans | -136.2 | 101 | 139.3 | -89 | -87.4 | 0 | 0 | 0 | 105.7 | M974 | M974-Y976 HydrophobicContact SD-CE2 4.34Š| ||
| 977 | N | 22.6 | Very low | 19.2 | Very low | 106 Ų | 106 | 116.6 Ų | 116.6 | 57% | 0.567 | 65% | 0.648 | S | S | * | * | 97.6 | 143.3 | 78.2 | -78.7 | 12.6 | 0 | 0 | 0 | 108.8 | |||||
| 978 | N | 20.3 | Very low | 19.3 | Very low | 127 Ų | 127 | 119.6 Ų | 119.6 | 68% | 0.679 | 67% | 0.669 | S | S | * | * | 48.3 | 125.7 | 70.9 | -88.3 | 35.8 | 0 | 0 | 0 | 109.8 | |||||
| 979 | E | 21.7 | Very low | 19.4 | Very low | 150 Ų | 150 | 122 Ų | 122 | 70% | 0.701 | 68% | 0.684 | S | S | * | * | cis | -163.3 | -168.7 | 31.6 | -112 | 142.4 | -136.5 | 0 | 0 | 109.1 | ||||
| 980 | S | 18.7 | Very low | 19.4 | Very low | 102 Ų | 102 | 124.3 Ų | 124.3 | 71% | 0.713 | 70% | 0.695 | S | S | * | * | trans | 69.1 | 129.5 | 162.6 | 52.9 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 981 | N | 18.6 | Very low | 19.5 | Very low | 130 Ų | 130 | 127.8 Ų | 127.8 | 70% | 0.695 | 71% | 0.706 | S | S | * | * | 68.8 | 126 | 55.2 | -62 | -26.8 | 0 | 0 | 0 | 111.6 | |||||
| 982 | H | 18 | Very low | 19.5 | Very low | 142 Ų | 142 | 129.7 Ų | 129.7 | 66% | 0.657 | 71% | 0.707 | S | S | * | * | cis | -152.3 | 136.3 | 10.8 | -101.1 | -28.7 | 0 | 0 | 0 | 113.3 | ||||
| 983 | I | 19.3 | Very low | 19.7 | Very low | 126 Ų | 126 | 133.4 Ų | 133.4 | 65% | 0.646 | 71% | 0.709 | S | S | * | * | 68.2 | 147.7 | 127.5 | -64.2 | 171.1 | 0 | 0 | 0 | 119.1 | |||||
| 984 | T | 19.1 | Very low | 19.6 | Very low | 118 Ų | 118 | 136.8 Ų | 136.8 | 72% | 0.724 | 71% | 0.712 | S | S | * | * | trans | 65.1 | 130.6 | 165.8 | 45.2 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 985 | T | 18.4 | Very low | 19.8 | Very low | 104 Ų | 104 | 137.1 Ų | 137.1 | 64% | 0.638 | 71% | 0.712 | S | S | * | * | cis | 177.1 | 159.4 | -22.8 | 20.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 986 | N | 19 | Very low | 19.8 | Very low | 139 Ų | 139 | 135.4 Ų | 135.4 | 74% | 0.743 | 71% | 0.708 | S | S | * | * | trans | 67.2 | 138.5 | 144.6 | -69.7 | -5 | 0 | 0 | 0 | 118.5 | ||||
| 987 | L | 19.6 | Very low | 19.7 | Very low | 157 Ų | 157 | 134.5 Ų | 134.5 | 82% | 0.822 | 71% | 0.708 | S | S | * | * | cis | -137.3 | 159.7 | 4.6 | -86.8 | 115.4 | 0 | 0 | 0 | 112.6 | ||||
| 988 | S | 19.9 | Very low | 19.7 | Very low | 93 Ų | 93 | 138.2 Ų | 138.2 | 65% | 0.65 | 72% | 0.722 | S | S | * | * | trans | -81.6 | 146.7 | 167.9 | 54.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 989 | P | 21 | Very low | 19.8 | Very low | 119 Ų | 119 | 138.3 Ų | 138.3 | 77% | 0.773 | 72% | 0.721 | S | S | * | * | -129.3 | 142.9 | 126.7 | 35.4 | -26.7 | 0 | 0 | 0 | 110.5 | |||||
| 990 | T | 19.6 | Very low | 19.8 | Very low | 104 Ų | 104 | 138.2 Ų | 138.2 | 64% | 0.638 | 73% | 0.726 | S | S | * | * | cis | 75.3 | 129.3 | 11.9 | -16.8 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 991 | I | 19.5 | Very low | 19.9 | Very low | 152 Ų | 152 | 138.1 Ų | 138.1 | 78% | 0.779 | 72% | 0.721 | S | S | * | * | trans | 71.3 | 130.5 | 171.3 | -62.5 | 157.4 | 0 | 0 | 0 | 114.1 | ||||
| 992 | I | 19.2 | Very low | 20 | Very low | 141 Ų | 141 | 136.2 Ų | 136.2 | 72% | 0.723 | 72% | 0.718 | S | S | * | * | cis | 82.8 | 84.6 | 34.2 | -75.8 | 177.6 | 0 | 0 | 0 | 115.4 | ||||
| 993 | F | 20.8 | Very low | 20.1 | Very low | 191 Ų | 191 | 136.6 Ų | 136.6 | 84% | 0.838 | 72% | 0.724 | S | S | * | * | trans | 66.3 | 170.9 | 156.8 | -72.9 | -108 | 0 | 0 | 0 | 118 | ||||
| 994 | K | 18 | Very low | 20.1 | Very low | 167 Ų | 167 | 135.2 Ų | 135.2 | 73% | 0.726 | 72% | 0.721 | S | S | * | * | trans | 72.5 | 105.8 | 170.5 | -55.7 | -151.3 | 165.2 | -173.9 | 0 | 115.3 | ||||
| 995 | E | 21.8 | Very low | 20.2 | Very low | 148 Ų | 148 | 137.8 Ų | 137.8 | 69% | 0.692 | 72% | 0.722 | S | S | * | * | 82.9 | 156.6 | 65.1 | -76.1 | 171.1 | 146.9 | 0 | 0 | 112.9 | |||||
| 996 | N | 21.4 | Very low | 20.3 | Very low | 128 Ų | 128 | 138.6 Ų | 138.6 | 68% | 0.684 | 72% | 0.723 | S | S | * | * | trans | 83.6 | 155.2 | 166.9 | -44.9 | -73.4 | 0 | 0 | 0 | 116.5 | ||||
| 997 | K | 17.5 | Very low | 20.5 | Very low | 181 Ų | 181 | 139 Ų | 139 | 79% | 0.787 | 72% | 0.72 | S | S | * | * | trans | 72.6 | 100.6 | 172.1 | -56.6 | 164 | -170 | 173.6 | 0 | 112 | ||||
| 998 | E | 22.3 | Very low | 20.4 | Very low | 183 Ų | 183 | 137.4 Ų | 137.4 | 86% | 0.855 | 72% | 0.72 | S | S | * | * | cis | 49.6 | 159.4 | 30 | -68.8 | -163.6 | 157.1 | 0 | 0 | 113.8 | ||||
| 999 | I | 21.7 | Very low | 20.7 | Very low | 129 Ų | 129 | 137.3 Ų | 137.3 | 66% | 0.662 | 72% | 0.72 | S | S | * | * | trans | 79 | 78.9 | -171.3 | -46.7 | 161 | 0 | 0 | 0 | 113 | T1001 | I999-T1001 WeakPolarHBondContact CG2-OG1 3.45Š| ||
| 1000 | D | 22.7 | Very low | 20.7 | Very low | 148 Ų | 148 | 139.2 Ų | 139.2 | 79% | 0.791 | 72% | 0.724 | S | S | * | * | -164.3 | 101.6 | 126.4 | -95.2 | -15.6 | 0 | 0 | 0 | 105.3 | |||||
| 1001 | T | 20.5 | Very low | 21 | Very low | 101 Ų | 101 | 140.8 Ų | 140.8 | 62% | 0.62 | 72% | 0.724 | S | S | * | * | cis | 53.8 | 106.5 | 26.6 | 58.9 | 0 | 0 | 0 | 0 | 114.9 | I999 | I999-T1001 WeakPolarHBondContact CG2-OG1 3.45Š| ||
| 1002 | S | 19.6 | Very low | 21.1 | Very low | 90 Ų | 90 | 140.4 Ų | 140.4 | 63% | 0.629 | 72% | 0.723 | S | S | * | * | trans | 67.3 | 144.3 | -173.3 | 84.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1003 | L | 20.2 | Very low | 21.3 | Very low | 150 Ų | 150 | 140 Ų | 140 | 79% | 0.785 | 72% | 0.722 | S | S | * | * | cis | -100.2 | 138.3 | 13.5 | -73.9 | 96 | 0 | 0 | 0 | 112.6 | ||||
| 1004 | V | 19.6 | Very low | 21.3 | Very low | 97 Ų | 97 | 137.4 Ų | 137.4 | 59% | 0.588 | 72% | 0.717 | S | S | * | * | 72.7 | 130.4 | 54.6 | 170.8 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 1005 | K | 20.9 | Very low | 21.7 | Very low | 172 Ų | 172 | 135.1 Ų | 135.1 | 75% | 0.748 | 72% | 0.717 | S | S | * | * | trans | 73.3 | 144.3 | -175.7 | -63.2 | 153.8 | -174.8 | 175.9 | 0 | 113.3 | ||||
| 1006 | N | 21.9 | Very low | 21.7 | Very low | 121 Ų | 121 | 134.8 Ų | 134.8 | 65% | 0.647 | 72% | 0.719 | S | S | * | * | cis | -152.4 | 168.4 | -4.2 | -119.2 | -5.2 | 0 | 0 | 0 | 114.4 | ||||
| 1007 | H | 22.4 | Very low | 21.9 | Very low | 147 Ų | 147 | 135 Ų | 135 | 68% | 0.681 | 72% | 0.721 | S | S | * | * | trans | 5.8 | 142.2 | 150.9 | -59.4 | -57.6 | 0 | 0 | 0 | 121.2 | ||||
| 1008 | C | 17.8 | Very low | 22.1 | Very low | 123 Ų | 123 | 133.9 Ų | 133.9 | 83% | 0.831 | 72% | 0.718 | S | S | * | * | trans | 58 | 139.7 | 132.9 | -60.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1009 | S | 26.4 | Very low | 22.1 | Very low | 92 Ų | 92 | 131.7 Ų | 131.7 | 64% | 0.643 | 71% | 0.711 | S | S | * | * | cis | -158.4 | 139.5 | 14.7 | 47 | 0 | 0 | 0 | 0 | 113.7 | Q1011 | S1009-Q1011 PolarHBondContact O-N 3.32Š| ||
| 1010 | N | 20.5 | Very low | 21.9 | Very low | 159 Ų | 159 | 131.2 Ų | 131.2 | 85% | 0.85 | 72% | 0.72 | S | S | * | * | trans | 8.9 | 97.5 | 137.3 | -58 | -11.8 | 0 | 0 | 0 | 118.8 | ||||
| 1011 | Q | 26.2 | Very low | 21.7 | Very low | 136 Ų | 136 | 129 Ų | 129 | 64% | 0.636 | 72% | 0.716 | S | S | * | * | -154 | 109.4 | 129 | -98.3 | 174.8 | 26.8 | 0 | 0 | 105.1 | S1009 | S1009-Q1011 PolarHBondContact O-N 3.32Š| |||
| 1012 | L | 22.3 | Very low | 21.7 | Very low | 145 Ų | 145 | 129 Ų | 129 | 76% | 0.759 | 72% | 0.72 | S | S | * | * | 66.5 | 111.8 | 77.9 | -79.9 | 172.8 | 0 | 0 | 0 | 114.3 | |||||
| 1013 | N | 22 | Very low | 21.7 | Very low | 133 Ų | 133 | 128.8 Ų | 128.8 | 71% | 0.711 | 72% | 0.718 | S | S | * | * | trans | 69.1 | 147.3 | 155.2 | -59.6 | -13.5 | 0 | 0 | 0 | 117.9 | ||||
| 1014 | N | 21.7 | Very low | 21.7 | Very low | 135 Ų | 135 | 126.1 Ų | 126.1 | 72% | 0.722 | 70% | 0.704 | S | S | * | * | cis | -167.3 | 170.4 | -31 | -120 | -16.1 | 0 | 0 | 0 | 108.5 | ||||
| 1015 | T | 26.3 | Very low | 21.8 | Very low | 120 Ų | 120 | 125.6 Ų | 125.6 | 74% | 0.736 | 71% | 0.709 | S | S | * | * | trans | 62.1 | 125.6 | 174 | 46.2 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1016 | L | 21.8 | Very low | 22 | Very low | 141 Ų | 141 | 120.8 Ų | 120.8 | 74% | 0.738 | 71% | 0.709 | S | S | * | * | cis | 90.4 | 141.8 | 40.3 | -72.9 | 167.3 | 0 | 0 | 0 | 113.7 | ||||
| 1017 | D | 24.9 | Very low | 23.1 | Very low | 133 Ų | 133 | 121.2 Ų | 121.2 | 71% | 0.711 | 72% | 0.718 | S | S | * | * | trans | 66.5 | 152.3 | 155.5 | -53.2 | -15.3 | 0 | 0 | 0 | 119 | ||||
| 1018 | E | 23.1 | Very low | 23.4 | Very low | 156 Ų | 156 | 119.2 Ų | 119.2 | 73% | 0.729 | 72% | 0.721 | S | S | * | * | cis | -157.4 | 171.6 | -43.7 | -135.7 | -171.2 | -171.7 | 0 | 0 | 109.4 | ||||
| 1019 | L | 21.7 | Very low | 23.7 | Very low | 138 Ų | 138 | 121.7 Ų | 121.7 | 72% | 0.723 | 72% | 0.718 | S | S | * | * | trans | 50 | 128.1 | 155.2 | -67.2 | 172.7 | 0 | 0 | 0 | 121.7 | S1021 | L1019-S1021 PolarHBondContact O-N 3.46Š| ||
| 1020 | S | 17 | Very low | 23.7 | Very low | 119 Ų | 119 | 125 Ų | 125 | 83% | 0.832 | 73% | 0.727 | S | S | * | * | trans | -63.8 | 103.4 | 154.6 | 52.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1021 | S | 19.4 | Very low | 24 | Very low | 102 Ų | 102 | 125.5 Ų | 125.5 | 71% | 0.713 | 72% | 0.724 | S | S | * | * | trans | -165.1 | 122.6 | 141 | 59.3 | 0 | 0 | 0 | 0 | 113.8 | L1019 | L1019-S1021 PolarHBondContact O-N 3.46Š| ||
| 1022 | S | 20.3 | Very low | 23.8 | Very low | 101 Ų | 101 | 124.3 Ų | 124.3 | 71% | 0.706 | 73% | 0.727 | S | S | * | * | trans | 21.7 | 133.1 | 147 | 56 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1023 | S | 19.7 | Very low | 23.7 | Very low | 85 Ų | 85 | 127 Ų | 127 | 59% | 0.594 | 73% | 0.728 | S | S | * | * | trans | 67.3 | 109.2 | 140.5 | 63.8 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1024 | I | 20.9 | Very low | 23.6 | Very low | 94 Ų | 94 | 126 Ų | 126 | 48% | 0.482 | 72% | 0.722 | S | S | . | * | 174.6 | 141.1 | 98.7 | -88 | 128.4 | 0 | 0 | 0 | 109.5 | E2247 | I1024-E2247 WeakPolarHBondContact CA-OE1 3.44Å; I1024-E2247 HydrophobicContact CB-CG 4.4Å; I1024-E2247 HydrophobicContact CD1-CB 4.28Å; I1024-E2247 HydrophobicContact CG1-CB 3.53Å; I1024-E2247 HydrophobicContact CG1-CG 3.64Å; I1024-E2247 HydrophobicContact CG2-CG 4.32Å | |||
| 1025 | A | 19.8 | Very low | 23.5 | Very low | 85 Ų | 85 | 128.9 Ų | 128.9 | 70% | 0.702 | 72% | 0.723 | S | S | * | * | trans | -87.9 | 155.3 | -167.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | E2247 | A1025-E2247 WeakPolarHBondContact CB-OE1 3.17Å; A1025-E2247 PolarHBondContact N-OE1 3.04Å | ||
| 1026 | G | 26.2 | Very low | 23.2 | Very low | 71 Ų | 71 | 131.9 Ų | 131.9 | 73% | 0.732 | 73% | 0.726 | S | S | * | * | trans | -156.7 | 161.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1027 | P | 45.1 | Very low | 23.2 | Very low | 131 Ų | 131 | 130.9 Ų | 130.9 | 85% | 0.851 | 73% | 0.726 | S | S | * | * | trans | -128.1 | 175.5 | -152.9 | 42.2 | -28.4 | 0 | 0 | 0 | 116 | ||||
| 1028 | S | 29 | Very low | 23.1 | Very low | 105 Ų | 105 | 127.2 Ų | 127.2 | 73% | 0.734 | 72% | 0.719 | S | S | * | * | trans | -155.5 | 144.2 | 147.5 | 61.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 1029 | F | 23.9 | Very low | 23.1 | Very low | 174 Ų | 174 | 126.1 Ų | 126.1 | 76% | 0.763 | 72% | 0.719 | S | S | * | * | trans | -151.3 | 164.2 | 152.9 | -133.9 | -85.8 | 0 | 0 | 0 | 106.6 | S2260 | F1029-S2260 WeakPolarHBondContact CE2-O 3.37Š| ||
| 1030 | L | 26 | Very low | 23.1 | Very low | 161 Ų | 161 | 128 Ų | 128 | 84% | 0.843 | 72% | 0.723 | S | S | * | * | trans | -74.8 | 160.7 | -164.3 | -90.3 | 166.7 | 0 | 0 | 0 | 117 | ||||
| 1031 | H | 26.1 | Very low | 23.4 | Very low | 170 Ų | 170 | 127.7 Ų | 127.7 | 79% | 0.787 | 72% | 0.716 | S | S | * | * | trans | -40.7 | 148.8 | 165.1 | -91.7 | -63.3 | 0 | 0 | 0 | 113.3 | ||||
| 1032 | T | 22.7 | Very low | 23.6 | Very low | 112 Ų | 112 | 129.9 Ų | 129.9 | 69% | 0.687 | 72% | 0.72 | S | S | * | * | -165.6 | 149.1 | 70.8 | 36.6 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1033 | Y | 20.5 | Very low | 23.6 | Very low | 200 Ų | 200 | 130 Ų | 130 | 78% | 0.784 | 72% | 0.721 | S | S | * | * | trans | 71.2 | 137.4 | 147.9 | -82.8 | -137 | 0 | 0 | 0 | 116.5 | ||||
| 1034 | L | 19.9 | Very low | 23.7 | Very low | 113 Ų | 113 | 132.4 Ų | 132.4 | 59% | 0.592 | 73% | 0.732 | S | S | * | * | cis | -150.8 | 150.1 | 1.8 | -95.9 | 167 | 0 | 0 | 0 | 112.1 | ||||
| 1035 | R | 18.5 | Very low | 23.8 | Very low | 195 Ų | 195 | 137.8 Ų | 137.8 | 74% | 0.736 | 75% | 0.752 | S | S | * | * | trans | 47.8 | 126.8 | 140.2 | -70.5 | 172.7 | -175.6 | 169.8 | 4.9 | 122.4 | ||||
| 1036 | K | 21 | Very low | 23.8 | Very low | 183 Ų | 183 | 139.6 Ų | 139.6 | 80% | 0.796 | 76% | 0.755 | S | S | * | * | 67.1 | 154.5 | 126.7 | -63.2 | -177 | 175.4 | -162.1 | 0 | 118.2 | |||||
| 1037 | T | 21.3 | Very low | 23.6 | Very low | 121 Ų | 121 | 144.6 Ų | 144.6 | 74% | 0.742 | 76% | 0.764 | S | S | * | * | cis | -126 | 175.6 | -1.8 | -14 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1038 | G | 23 | Very low | 22.3 | Very low | 56 Ų | 56 | 149.6 Ų | 149.6 | 58% | 0.577 | 77% | 0.765 | S | S | * | * | 69.5 | 125.9 | 64.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 1039 | D | 22.1 | Very low | 21.9 | Very low | 133 Ų | 133 | 151.4 Ų | 151.4 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | cis | -140.7 | 165.7 | 9.3 | -60.6 | -55.7 | 0 | 0 | 0 | 110.2 | ||||
| 1040 | E | 22.7 | Very low | 21.7 | Very low | 177 Ų | 177 | 147.7 Ų | 147.7 | 83% | 0.827 | 77% | 0.768 | S | S | * | * | 41.5 | 143.8 | 102.6 | -45 | -176.8 | 167 | 0 | 0 | 114.7 | |||||
| 1041 | V | 23.4 | Very low | 21.5 | Very low | 112 Ų | 112 | 146.3 Ų | 146.3 | 68% | 0.679 | 77% | 0.766 | S | S | * | * | -176.4 | 137.4 | 68.4 | 163.3 | 0 | 0 | 0 | 0 | 111 | |||||
| 1042 | N | 22.9 | Very low | 21.2 | Very low | 148 Ų | 148 | 149.9 Ų | 149.9 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | trans | 69.1 | 149.2 | 150.5 | -71.4 | -17.7 | 0 | 0 | 0 | 127.9 | ||||
| 1043 | S | 21.9 | Very low | 21.1 | Very low | 105 Ų | 105 | 148.7 Ų | 148.7 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | trans | 88.8 | 81.2 | 135.5 | 63.3 | 0 | 0 | 0 | 0 | 121.2 | K1045 | S1043-K1045 PolarHBondContact O-N 2.92Š| ||
| 1044 | T | 21.4 | Very low | 21.1 | Very low | 135 Ų | 135 | 146.6 Ų | 146.6 | 83% | 0.828 | 77% | 0.766 | S | S | * | * | trans | -49.9 | 125.4 | 148 | 50.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1045 | K | 21.8 | Very low | 21.2 | Very low | 207 Ų | 207 | 147.3 Ų | 147.3 | 90% | 0.9 | 78% | 0.775 | S | S | * | * | trans | -105.2 | 101.3 | 162.9 | -88.4 | -178.3 | 176 | 172.5 | 0 | 110.7 | S1043 | S1043-K1045 PolarHBondContact O-N 2.92Š| ||
| 1046 | T | 21 | Very low | 21.3 | Very low | 123 Ų | 123 | 144.1 Ų | 144.1 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | trans | -83.1 | 120.2 | 167.4 | 52.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1047 | L | 20.5 | Very low | 21.5 | Very low | 175 Ų | 175 | 140.4 Ų | 140.4 | 92% | 0.916 | 77% | 0.772 | S | S | * | * | trans | -114.1 | 120.7 | 161.1 | -90 | 168.4 | 0 | 0 | 0 | 109 | ||||
| 1048 | R | 18.9 | Very low | 21.4 | Very low | 236 Ų | 236 | 142.8 Ų | 142.8 | 89% | 0.891 | 77% | 0.774 | S | S | * | * | trans | -95.6 | 134.5 | 175.5 | -66.3 | 174.4 | 176 | 150.9 | -3.4 | 109 | ||||
| 1049 | V | 19.7 | Very low | 21.5 | Very low | 144 Ų | 144 | 148 Ų | 148 | 87% | 0.873 | 79% | 0.789 | S | S | * | * | trans | -128 | 131.9 | 153.4 | 177.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1050 | S | 20.2 | Very low | 21.4 | Very low | 96 Ų | 96 | 149.9 Ų | 149.9 | 67% | 0.671 | 79% | 0.791 | S | S | * | * | trans | -65.8 | 127.4 | -179.5 | -168.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1051 | T | 22.6 | Very low | 21.3 | Very low | 131 Ų | 131 | 146 Ų | 146 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | 34.7 | 125.9 | 87.1 | 42.9 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 1052 | R | 18.5 | Very low | 21.2 | Very low | 246 Ų | 246 | 147.4 Ų | 147.4 | 93% | 0.928 | 79% | 0.787 | S | S | * | * | trans | -123.2 | 133 | 158 | -162.1 | -177.7 | -175 | 170.5 | 2.1 | 107.5 | ||||
| 1053 | S | 21.7 | Very low | 21.2 | Very low | 87 Ų | 87 | 149 Ų | 149 | 61% | 0.608 | 79% | 0.79 | S | S | * | * | trans | -78.3 | -175.6 | 170 | 51.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1054 | E | 20.2 | Very low | 21.1 | Very low | 156 Ų | 156 | 149.9 Ų | 149.9 | 73% | 0.729 | 79% | 0.79 | S | S | * | * | cis | -171.5 | 179.8 | 25.6 | -152 | 148.1 | -86 | 0 | 0 | 111 | ||||
| 1055 | T | 22.1 | Very low | 21.1 | Very low | 127 Ų | 127 | 147.8 Ų | 147.8 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | trans | 69.1 | 160.5 | 166.8 | 76.9 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1056 | V | 20.3 | Very low | 21.1 | Very low | 129 Ų | 129 | 145.4 Ų | 145.4 | 78% | 0.782 | 78% | 0.778 | S | S | * | * | cis | -153.5 | 146.2 | -32.5 | 132.8 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1057 | P | 24.9 | Very low | 21.3 | Very low | 104 Ų | 104 | 145 Ų | 145 | 68% | 0.675 | 78% | 0.781 | S | S | * | * | trans | -92.2 | 173 | -175.5 | 36.9 | -37.3 | 0 | 0 | 0 | 115.1 | ||||
| 1058 | Q | 20 | Very low | 21.3 | Very low | 171 Ų | 171 | 144 Ų | 144 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | trans | 80.2 | 115 | 169.7 | -49.3 | -174.5 | 30 | 0 | 0 | 117.6 | ||||
| 1059 | N | 24.8 | Very low | 21.5 | Very low | 165 Ų | 165 | 141.1 Ų | 141.1 | 88% | 0.882 | 78% | 0.776 | S | S | * | * | -150.9 | 168.8 | 109.7 | -126.3 | -41.1 | 0 | 0 | 0 | 112.4 | |||||
| 1060 | K | 19.3 | Very low | 21.6 | Very low | 173 Ų | 173 | 138.6 Ų | 138.6 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | trans | -105.6 | 152.1 | -168.6 | -65.5 | 176.4 | 179.2 | 172.8 | 0 | 113.7 | ||||
| 1061 | S | 20.4 | Very low | 21.8 | Very low | 95 Ų | 95 | 139.8 Ų | 139.8 | 66% | 0.664 | 77% | 0.77 | S | S | * | * | trans | 67.3 | 135.9 | 136.3 | 63.9 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1062 | N | 21.3 | Very low | 21.9 | Very low | 143 Ų | 143 | 140.6 Ų | 140.6 | 77% | 0.765 | 77% | 0.767 | S | S | * | * | trans | 98.9 | 131.4 | 140.9 | -68.4 | -12.5 | 0 | 0 | 0 | 120.5 | ||||
| 1063 | Q | 23.6 | Very low | 22.2 | Very low | 181 Ų | 181 | 136.3 Ų | 136.3 | 85% | 0.846 | 76% | 0.762 | S | S | * | * | trans | 72 | 146.2 | 154.4 | -67.8 | 169.8 | 8 | 0 | 0 | 119.3 | ||||
| 1064 | V | 20.3 | Very low | 22.5 | Very low | 124 Ų | 124 | 139.9 Ų | 139.9 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | cis | -164.3 | 137.1 | -41.6 | 114.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1065 | S | 21.2 | Very low | 22.7 | Very low | 90 Ų | 90 | 139.9 Ų | 139.9 | 63% | 0.629 | 77% | 0.769 | S | S | * | * | trans | 59.7 | 149.1 | 164.2 | 69.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1066 | N | 22.4 | Very low | 22.8 | Very low | 157 Ų | 157 | 140.6 Ų | 140.6 | 84% | 0.84 | 77% | 0.768 | S | S | * | * | trans | 69.6 | 136.7 | 163.5 | -50.3 | -24.3 | 0 | 0 | 0 | 116.7 | ||||
| 1067 | S | 23.7 | Very low | 23 | Very low | 116 Ų | 116 | 141.7 Ų | 141.7 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | cis | -133.7 | 132.7 | -4.1 | 47.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1068 | I | 22 | Very low | 23 | Very low | 153 Ų | 153 | 141 Ų | 141 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | -80.7 | 123.1 | 174.9 | -63.7 | 171.8 | 0 | 0 | 0 | 108.1 | S1070 | I1068-S1070 WeakPolarHBondContact CG2-OG 3.13Š| ||
| 1069 | L | 22 | Very low | 23.4 | Very low | 176 Ų | 176 | 139.2 Ų | 139.2 | 92% | 0.921 | 77% | 0.768 | S | S | * | * | trans | -110.3 | 121 | 155.9 | -145.5 | 77.9 | 0 | 0 | 0 | 106.8 | ||||
| 1070 | S | 22.6 | Very low | 23.4 | Very low | 90 Ų | 90 | 139 Ų | 139 | 63% | 0.629 | 77% | 0.767 | S | S | * | * | trans | -143.4 | 149.1 | 177 | -69.5 | 0 | 0 | 0 | 0 | 107.4 | I1068 M1072 | I1068-S1070 WeakPolarHBondContact CG2-OG 3.13Å; S1070-M1072 PolarHBondContact O-N 3.24Å | ||
| 1071 | P | 25 | Very low | 23.6 | Very low | 121 Ų | 121 | 137.5 Ų | 137.5 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | trans | -62.5 | 136 | -174 | 26.6 | -34.4 | 0 | 0 | 0 | 110.1 | ||||
| 1072 | M | 24.7 | Very low | 23.8 | Very low | 149 Ų | 149 | 140.6 Ų | 140.6 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | trans | -90.3 | 111 | 172 | -162.9 | 79.7 | 106.1 | 0 | 0 | 108.3 | S1070 E1074 | S1070-M1072 PolarHBondContact O-N 3.24Å; M1072-E1074 VanDerWaalsContact C-N 3.31Å; M1072-E1074 HydrophobicContact CG-CB 4.48Å; M1072-E1074 HydrophobicContact CG-CG 3.8Å; M1072-E1074 PolarHBondContact O-N 2.95Å; M1072-E1074 VanDerWaalsContact O-N 3.11Å | ||
| 1073 | D | 24.2 | Very low | 23.9 | Very low | 155 Ų | 155 | 139.8 Ų | 139.8 | 83% | 0.829 | 77% | 0.768 | S | S | * | * | trans | -75.4 | 86.3 | 163.7 | -67.7 | -53 | 0 | 0 | 0 | 108.2 | Q1075 | D1073-Q1075 PolarHBondContact O-N 2.94Š| ||
| 1074 | E | 27.4 | Very low | 23.9 | Very low | 163 Ų | 163 | 136.8 Ų | 136.8 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | trans | -85.8 | 91.7 | 172.9 | -99.5 | 168.2 | -173.5 | 0 | 0 | 110.9 | M1072 | M1072-E1074 VanDerWaalsContact C-N 3.31Å; M1072-E1074 HydrophobicContact CG-CB 4.48Å; M1072-E1074 HydrophobicContact CG-CG 3.8Å; M1072-E1074 PolarHBondContact O-N 2.95Å; M1072-E1074 VanDerWaalsContact O-N 3.11Å | ||
| 1075 | Q | 24.1 | Very low | 24.2 | Very low | 155 Ų | 155 | 135.5 Ų | 135.5 | 72% | 0.724 | 76% | 0.763 | S | S | * | * | trans | -4.5 | 143.3 | 154.6 | -159.6 | 66.7 | 45.1 | 0 | 0 | 118.7 | D1073 D1077 | D1073-Q1075 PolarHBondContact O-N 2.94Å; Q1075-D1077 PolarHBondContact O-N 3.47Å; Q1075-D1077 VanDerWaalsContact O-N 3.11Å | ||
| 1076 | D | 24.7 | Very low | 24.2 | Very low | 143 Ų | 143 | 138.5 Ų | 138.5 | 77% | 0.765 | 77% | 0.767 | S | S | * | * | trans | -61.7 | 105.3 | 171.1 | -49.9 | -90.7 | 0 | 0 | 0 | 113.3 | A1078 | D1076-A1078 PolarHBondContact O-N 3.47Š| ||
| 1077 | D | 24.7 | Very low | 24.3 | Very low | 152 Ų | 152 | 140.5 Ų | 140.5 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | trans | -81.9 | 98.2 | 162.6 | -86.3 | -30.7 | 0 | 0 | 0 | 110 | Q1075 D1079 | Q1075-D1077 PolarHBondContact O-N 3.47Å; Q1075-D1077 VanDerWaalsContact O-N 3.11Å; D1077-D1079 VanDerWaalsContact C-N 3.29Å; D1077-D1079 PolarHBondContact O-N 2.61Å; D1077-D1079 VanDerWaalsContact O-N 3.08Å | ||
| 1078 | A | 24.8 | Very low | 24.4 | Very low | 89 Ų | 89 | 138.1 Ų | 138.1 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | trans | -83.6 | 63.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | D1076 D1080 | D1076-A1078 PolarHBondContact O-N 3.47Å; A1078-D1080 VanDerWaalsContact C-N 3.27Å; A1078-D1080 PolarHBondContact O-N 2.64Å | ||
| 1079 | D | 27.7 | Very low | 24.6 | Very low | 133 Ų | 133 | 138.4 Ų | 138.4 | 71% | 0.711 | 75% | 0.753 | S | S | * | * | trans | -77 | 76.9 | 169.4 | -94.7 | -33.7 | 0 | 0 | 0 | 110.9 | D1077 Q1081 | D1077-D1079 VanDerWaalsContact C-N 3.29Å; D1077-D1079 PolarHBondContact O-N 2.61Å; D1077-D1079 VanDerWaalsContact O-N 3.08Å; D1079-Q1081 PolarHBondContact O-N 3Å | ||
| 1080 | D | 24.6 | Very low | 24.6 | Very low | 160 Ų | 160 | 141.1 Ų | 141.1 | 86% | 0.856 | 75% | 0.751 | S | S | * | * | trans | -68 | 68 | 162.9 | -85.3 | -39.8 | 0 | 0 | 0 | 110 | A1078 D1082 | A1078-D1080 VanDerWaalsContact C-N 3.27Å; A1078-D1080 PolarHBondContact O-N 2.64Å; D1080-D1082 PolarHBondContact O-N 3.14Å | ||
| 1081 | Q | 23.7 | Very low | 24.7 | Very low | 143 Ų | 143 | 142.9 Ų | 142.9 | 67% | 0.668 | 76% | 0.764 | S | S | * | * | trans | -83.9 | 106.2 | 164.8 | -70.4 | -62.6 | -26.5 | 0 | 0 | 109.3 | D1079 D1083 | D1079-Q1081 PolarHBondContact O-N 3Å; Q1081-D1083 PolarHBondContact O-N 2.64Å | ||
| 1082 | D | 25.4 | Very low | 24.7 | Very low | 159 Ų | 159 | 139.9 Ų | 139.9 | 85% | 0.85 | 75% | 0.749 | S | S | * | * | trans | -71.9 | 60.5 | 173.1 | -115.9 | -25.3 | 0 | 0 | 0 | 110.3 | D1080 S1084 | D1080-D1082 PolarHBondContact O-N 3.14Å; D1082-S1084 PolarHBondContact O-N 2.85Å | ||
| 1083 | D | 23.6 | Very low | 24.7 | Very low | 127 Ų | 127 | 140 Ų | 140 | 68% | 0.679 | 75% | 0.747 | S | S | * | * | trans | -75.7 | 59.7 | 179.9 | -120.1 | -8.4 | 0 | 0 | 0 | 110.7 | Q1081 S1085 | Q1081-D1083 PolarHBondContact O-N 2.64Å; D1083-S1085 PolarHBondContact O-N 3.25Å | ||
| 1084 | S | 23.6 | Very low | 24.7 | Very low | 118 Ų | 118 | 140 Ų | 140 | 83% | 0.825 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | 45.9 | 176.3 | 75.1 | 0 | 0 | 0 | 0 | 112 | D1082 | D1082-S1084 PolarHBondContact O-N 2.85Š|
| 1085 | S | 25.5 | Very low | 24.6 | Very low | 96 Ų | 96 | 139.9 Ų | 139.9 | 67% | 0.671 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.4 | 6.5 | 178.6 | 44.2 | 0 | 0 | 0 | 0 | 115 | D1083 | D1083-S1085 PolarHBondContact O-N 3.25Š|
| 1086 | E | 22.8 | Very low | 24.6 | Very low | 154 Ų | 154 | 136.9 Ų | 136.9 | 72% | 0.72 | 74% | 0.742 | S | S | * | * | trans | -117.1 | 73.6 | 161 | -77.5 | -144.1 | -146.5 | 0 | 0 | 112.8 | S1088 | E1086-S1088 PolarHBondContact O-N 2.97Å; E1086-S1088 WeakPolarHBondContact OE2-CB 3.47Å; E1086-S1088 PolarHBondContact OE2-OG 2.99Å | ||
| 1087 | E | 22.8 | Very low | 24.5 | Very low | 198 Ų | 198 | 135.8 Ų | 135.8 | 93% | 0.925 | 74% | 0.736 | S | S | * | * | trans | -68.4 | 63.6 | 139.8 | -76.4 | -157.5 | 142 | 0 | 0 | 109.1 | E1089 | E1087-E1089 PolarHBondContact O-N 3.17Š| ||
| 1088 | S | 27.2 | Very low | 24.4 | Very low | 66 Ų | 66 | 136.8 Ų | 136.8 | 46% | 0.462 | 74% | 0.74 | S | S | . | * | trans | -58.7 | 132.9 | 178 | -136.4 | 0 | 0 | 0 | 0 | 109.2 | E1086 W1090 | E1086-S1088 PolarHBondContact O-N 2.97Å; E1086-S1088 WeakPolarHBondContact OE2-CB 3.47Å; E1086-S1088 PolarHBondContact OE2-OG 2.99Å; S1088-W1090 PolarHBondContact O-N 3.34Å | ||
| 1089 | E | 24.7 | Very low | 24.5 | Very low | 159 Ų | 159 | 135 Ų | 135 | 74% | 0.743 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -66.8 | 33.5 | -147 | -58.4 | -172.1 | 120.2 | 0 | 0 | 118.8 | E1087 S1091 A1092 | E1087-E1089 PolarHBondContact O-N 3.17Å; E1089-S1091 VanDerWaalsContact C-N 3.27Å; E1089-S1091 PolarHBondContact O-N 2.88Å; E1089-A1092 HydrophobicContact CB-CB 4.13Å; E1089-A1092 VanDerWaalsContact O-CB 3.3Å; E1089-A1092 WeakPolarHBondContact O-CB 3.11Å; E1089-A1092 PolarHBondContact O-N 3.47Å |
| 1090 | W | 23.7 | Very low | 24.2 | Very low | 233 Ų | 233 | 139.8 Ų | 139.8 | 88% | 0.883 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | -12 | -178.2 | -77.7 | 66.1 | 0 | 0 | 0 | 114.6 | S1088 | S1088-W1090 PolarHBondContact O-N 3.34Š|
| 1091 | S | 24.1 | Very low | 24 | Very low | 128 Ų | 128 | 142.8 Ų | 142.8 | 90% | 0.895 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | -7.2 | 166.4 | -62.7 | 0 | 0 | 0 | 0 | 113.4 | E1089 | E1089-S1091 VanDerWaalsContact C-N 3.27Å; E1089-S1091 PolarHBondContact O-N 2.88Å |
| 1092 | A | 25.6 | Very low | 24 | Very low | 57 Ų | 57 | 141.3 Ų | 141.3 | 47% | 0.471 | 74% | 0.743 | S | S | . | * | S | Bend | trans | -89.2 | -8.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114 | E1089 | E1089-A1092 HydrophobicContact CB-CB 4.13Å; E1089-A1092 VanDerWaalsContact O-CB 3.3Å; E1089-A1092 WeakPolarHBondContact O-CB 3.11Å; E1089-A1092 PolarHBondContact O-N 3.47Å |
| 1093 | H | 24.6 | Very low | 23.9 | Very low | 153 Ų | 153 | 144.2 Ų | 144.2 | 71% | 0.708 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -110.9 | 28.3 | -165.8 | -128.9 | 87.1 | 0 | 0 | 0 | 115.8 | ||
| 1094 | I | 22.9 | Very low | 23.8 | Very low | 154 Ų | 154 | 147.4 Ų | 147.4 | 79% | 0.79 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -122 | -15.9 | 172.5 | -65.1 | -178.1 | 0 | 0 | 0 | 112.6 | ||
| 1095 | D | 25.5 | Very low | 23.7 | Very low | 160 Ų | 160 | 151.6 Ų | 151.6 | 86% | 0.856 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -100.9 | 8.4 | -169.2 | -132.8 | 27.1 | 0 | 0 | 0 | 115 | ||
| 1096 | V | 23.8 | Very low | 23.7 | Very low | 93 Ų | 93 | 156.9 Ų | 156.9 | 56% | 0.564 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -141.3 | 13.8 | -177.6 | -146.1 | 0 | 0 | 0 | 0 | 117.2 | G1099 | V1096-G1099 PolarHBondContact O-N 3.42Š|
| 1097 | D | 24.4 | Very low | 23.6 | Very low | 119 Ų | 119 | 161.8 Ų | 161.8 | 64% | 0.636 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -24 | 173.4 | -103.9 | -34.5 | 0 | 0 | 0 | 113.4 | G1099 | D1097-G1099 VanDerWaalsContact C-N 3.28Å; D1097-G1099 PolarHBondContact O-N 3.16Å |
| 1098 | I | 22.3 | Very low | 23.6 | Very low | 174 Ų | 174 | 162.9 Ų | 162.9 | 89% | 0.892 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | 54.5 | 168.7 | -47 | -176.8 | 0 | 0 | 0 | 109.8 | ||
| 1099 | G | 25.6 | Very low | 23.4 | Very low | 50 Ų | 50 | 165.3 Ų | 165.3 | 52% | 0.515 | 78% | 0.776 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -160.4 | -24.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | V1096 D1097 | V1096-G1099 PolarHBondContact O-N 3.42Å; D1097-G1099 VanDerWaalsContact C-N 3.28Å; D1097-G1099 PolarHBondContact O-N 3.16Å |
| 1100 | W | 22 | Very low | 23.2 | Very low | 234 Ų | 234 | 169.6 Ų | 169.6 | 89% | 0.886 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -89.4 | -25.8 | -178 | -125.1 | 34.6 | 0 | 0 | 0 | 114.3 | ||
| 1101 | W | 20.5 | Very low | 23.1 | Very low | 223 Ų | 223 | 168.6 Ų | 168.6 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | 144.4 | 168.1 | -71.5 | 72 | 0 | 0 | 0 | 110.6 | ||
| 1102 | S | 23.2 | Very low | 23 | Very low | 113 Ų | 113 | 171.9 Ų | 171.9 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 79.4 | 16.1 | 178.6 | 85.1 | 0 | 0 | 0 | 0 | 120.2 | ||
| 1103 | R | 23.9 | Very low | 22.9 | Very low | 219 Ų | 219 | 175 Ų | 175 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | trans | -139.6 | 18.5 | 159.4 | -136.1 | 158.4 | -88.6 | -128.3 | -0.3 | 119.8 | R1105 | R1103-R1105 PolarHBondContact O-N 2.77Š| ||
| 1104 | Q | 21.6 | Very low | 22.8 | Very low | 195 Ų | 195 | 173.1 Ų | 173.1 | 91% | 0.911 | 79% | 0.79 | S | S | * | * | trans | -59.6 | -18.3 | 153.2 | -170.8 | 90.1 | -37.9 | 0 | 0 | 111.7 | R1106 | Q1104-R1106 VanDerWaalsContact C-N 3.33Å; Q1104-R1106 PolarHBondContact O-N 3.17Å | ||
| 1105 | R | 22.2 | Very low | 23 | Very low | 206 Ų | 206 | 171.2 Ų | 171.2 | 78% | 0.777 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -66.4 | 90.9 | 167.6 | -87.3 | -170.6 | 178.6 | -179.1 | 2.3 | 111.5 | R1103 | R1103-R1105 PolarHBondContact O-N 2.77Š|
| 1106 | R | 23.9 | Very low | 22.9 | Very low | 206 Ų | 206 | 169.9 Ų | 169.9 | 78% | 0.777 | 78% | 0.779 | S | S | * | * | trans | 75.5 | 68.5 | 147.9 | -53.1 | 173.3 | -175.8 | 161.6 | -0.9 | 116.8 | Q1104 | Q1104-R1106 VanDerWaalsContact C-N 3.33Å; Q1104-R1106 PolarHBondContact O-N 3.17Å | ||
| 1107 | R | 21.3 | Very low | 22.8 | Very low | 257 Ų | 257 | 170.9 Ų | 170.9 | 97% | 0.97 | 78% | 0.781 | S | S | * | * | trans | -89.1 | 60.6 | 130.7 | -88.9 | -166.6 | 174.5 | -174 | 0.4 | 110.6 | T1109 | R1107-T1109 PolarHBondContact O-N 3.49Š| ||
| 1108 | R | 22.6 | Very low | 22.8 | Very low | 221 Ų | 221 | 172 Ų | 172 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | trans | -78.8 | 115 | 157 | -93.7 | -171.1 | 175.2 | 170.3 | 0 | 107.7 | ||||
| 1109 | T | 22.7 | Very low | 22.9 | Very low | 118 Ų | 118 | 170.6 Ų | 170.6 | 72% | 0.724 | 79% | 0.786 | S | S | * | * | trans | 48 | 83.4 | 149.8 | 60.5 | 0 | 0 | 0 | 0 | 117.2 | R1107 R1111 | R1107-T1109 PolarHBondContact O-N 3.49Å; T1109-R1111 PolarHBondContact O-N 2.85Å | ||
| 1110 | R | 20.8 | Very low | 22.7 | Very low | 248 Ų | 248 | 172.6 Ų | 172.6 | 94% | 0.936 | 80% | 0.797 | S | S | * | * | trans | -78.2 | 105.4 | 136.6 | -173.6 | 172 | -172.7 | 170.9 | 3.8 | 106.2 | Q1112 | R1110-Q1112 PolarHBondContact O-N 2.86Š| ||
| 1111 | R | 20.9 | Very low | 22.8 | Very low | 212 Ų | 212 | 165.7 Ų | 165.7 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 125.2 | 167.9 | -63.7 | 167.9 | 174.4 | 146.1 | -5.3 | 108 | T1109 V1113 | T1109-R1111 PolarHBondContact O-N 2.85Å; R1111-V1113 PolarHBondContact O-N 3.25Å |
| 1112 | Q | 23.6 | Very low | 23 | Very low | 198 Ų | 198 | 161.1 Ų | 161.1 | 93% | 0.925 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 119.7 | 152.8 | -81.6 | 177.5 | -58.5 | 0 | 0 | 105.6 | R1110 | R1110-Q1112 PolarHBondContact O-N 2.86Š|
| 1113 | V | 23 | Very low | 22.9 | Very low | 122 Ų | 122 | 162.1 Ų | 162.1 | 74% | 0.739 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 130.3 | 169.1 | 171.6 | 0 | 0 | 0 | 0 | 106.6 | R1111 T1115 | R1111-V1113 PolarHBondContact O-N 3.25Å; V1113-T1115 PolarHBondContact O-N 2.88Å |
| 1114 | N | 22.6 | Very low | 22.8 | Very low | 113 Ų | 113 | 157.2 Ų | 157.2 | 60% | 0.604 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 116.5 | 178.9 | -177.6 | 23.3 | 0 | 0 | 0 | 111.1 | D1117 | N1114-D1117 PolarHBondContact ND2-OD2 2.83Å; N1114-D1117 VanDerWaalsContact ND2-OD2 3.11Å |
| 1115 | T | 26.1 | Very low | 22.8 | Very low | 115 Ų | 115 | 154.9 Ų | 154.9 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | trans | -154.9 | 114.9 | 157.6 | 49.6 | 0 | 0 | 0 | 0 | 105.3 | V1113 | V1113-T1115 PolarHBondContact O-N 2.88Š| ||
| 1116 | N | 24.9 | Very low | 22.8 | Very low | 132 Ų | 132 | 152.6 Ų | 152.6 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | cis | -135.7 | 148.4 | 10.9 | -55.3 | -57.3 | 0 | 0 | 0 | 111.3 | V1118 | N1116-V1118 PolarHBondContact O-N 2.94Š| ||
| 1117 | D | 20.9 | Very low | 22.6 | Very low | 114 Ų | 114 | 150 Ų | 150 | 61% | 0.61 | 76% | 0.756 | S | S | * | * | trans | -65.2 | 111.6 | 151 | -68.9 | -75.6 | 0 | 0 | 0 | 108.5 | N1114 L1119 | N1114-D1117 PolarHBondContact ND2-OD2 2.83Å; N1114-D1117 VanDerWaalsContact ND2-OD2 3.11Å; D1117-L1119 VanDerWaalsContact C-N 3.29Å; D1117-L1119 HydrophobicContact CB-CD1 4.44Å; D1117-L1119 HydrophobicContact CB-CG 4.31Å; D1117-L1119 PolarHBondContact O-N 3.41Å | ||
| 1118 | V | 25.1 | Very low | 22.5 | Very low | 143 Ų | 143 | 142.2 Ų | 142.2 | 87% | 0.867 | 74% | 0.741 | S | S | * | * | trans | -83.6 | 86.8 | 155.7 | 178.9 | 0 | 0 | 0 | 0 | 105.8 | N1116 | N1116-V1118 PolarHBondContact O-N 2.94Š| ||
| 1119 | L | 23.4 | Very low | 22.4 | Very low | 144 Ų | 144 | 136.2 Ų | 136.2 | 75% | 0.754 | 73% | 0.733 | S | S | * | * | trans | -105.5 | 126.6 | 170.2 | -86.1 | 176.6 | 0 | 0 | 0 | 109.9 | D1117 | D1117-L1119 VanDerWaalsContact C-N 3.29Å; D1117-L1119 HydrophobicContact CB-CD1 4.44Å; D1117-L1119 HydrophobicContact CB-CG 4.31Å; D1117-L1119 PolarHBondContact O-N 3.41Å | ||
| 1120 | A | 22.5 | Very low | 22.4 | Very low | 91 Ų | 91 | 137 Ų | 137 | 75% | 0.752 | 73% | 0.733 | S | S | * | * | trans | 67.1 | 147.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1121 | S | 23.3 | Very low | 22.6 | Very low | 89 Ų | 89 | 131.3 Ų | 131.3 | 62% | 0.622 | 72% | 0.719 | S | S | * | * | cis | -170.2 | -170.4 | -22.8 | 54.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1122 | N | 24.1 | Very low | 22.7 | Very low | 127 Ų | 127 | 127.5 Ų | 127.5 | 68% | 0.679 | 71% | 0.714 | S | S | * | * | trans | 73.5 | 93.4 | 158.7 | -55.1 | 3.6 | 0 | 0 | 0 | 116.1 | ||||
| 1123 | D | 21.6 | Very low | 22.8 | Very low | 135 Ų | 135 | 123.2 Ų | 123.2 | 72% | 0.722 | 70% | 0.698 | S | S | * | * | 56.2 | 136.1 | 100.5 | -51 | -21.9 | 0 | 0 | 0 | 120.5 | |||||
| 1124 | T | 22.2 | Very low | 22.9 | Very low | 116 Ų | 116 | 126.7 Ų | 126.7 | 71% | 0.712 | 70% | 0.698 | S | S | * | * | trans | 66.4 | 118.7 | 144.4 | 50.2 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1125 | E | 20.9 | Very low | 22.9 | Very low | 146 Ų | 146 | 126.7 Ų | 126.7 | 68% | 0.682 | 70% | 0.702 | S | S | * | * | 84.6 | 108.6 | 126.5 | -70.3 | -174.4 | -149.3 | 0 | 0 | 121.6 | |||||
| 1126 | Q | 22.1 | Very low | 22.8 | Very low | 158 Ų | 158 | 130.5 Ų | 130.5 | 74% | 0.738 | 71% | 0.712 | S | S | * | * | trans | 74.2 | 178.8 | 131.8 | -58.5 | -175 | 56 | 0 | 0 | 117.7 | ||||
| 1127 | L | 20.5 | Very low | 22.7 | Very low | 151 Ų | 151 | 131.7 Ų | 131.7 | 79% | 0.791 | 72% | 0.715 | S | S | * | * | trans | 62.1 | 76 | 174.3 | -53.1 | 179.9 | 0 | 0 | 0 | 114.5 | ||||
| 1128 | S | 18.6 | Very low | 23.2 | Very low | 93 Ų | 93 | 131.9 Ų | 131.9 | 65% | 0.65 | 72% | 0.716 | S | S | * | * | 70.1 | 134.5 | 66.6 | 86.5 | 0 | 0 | 0 | 0 | 115 | |||||
| 1129 | S | 21.2 | Very low | 23.2 | Very low | 96 Ų | 96 | 131.6 Ų | 131.6 | 67% | 0.671 | 71% | 0.709 | S | S | * | * | trans | 66.1 | 123.7 | 167.3 | 91 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1130 | N | 23.1 | Very low | 23.3 | Very low | 135 Ų | 135 | 131.3 Ų | 131.3 | 72% | 0.722 | 71% | 0.708 | S | S | * | * | 157.6 | 159.5 | 66.6 | -99.4 | -22.9 | 0 | 0 | 0 | 103.9 | |||||
| 1131 | I | 24.1 | Very low | 23.8 | Very low | 128 Ų | 128 | 134.9 Ų | 134.9 | 66% | 0.656 | 71% | 0.714 | S | S | * | * | cis | -160.4 | 157.5 | 9.5 | -128.2 | 164.7 | 0 | 0 | 0 | 107.9 | ||||
| 1132 | L | 23.7 | Very low | 23.9 | Very low | 131 Ų | 131 | 138 Ų | 138 | 69% | 0.686 | 72% | 0.724 | S | S | * | * | trans | 28.3 | 125.6 | 151.7 | -54.8 | 171.7 | 0 | 0 | 0 | 118.1 | ||||
| 1133 | N | 25.7 | Very low | 24 | Very low | 109 Ų | 109 | 140.2 Ų | 140.2 | 58% | 0.583 | 73% | 0.73 | S | S | * | * | cis | 177.9 | 162.2 | 38.8 | -98.3 | -19.5 | 0 | 0 | 0 | 106.9 | ||||
| 1134 | R | 24.5 | Very low | 24.5 | Very low | 195 Ų | 195 | 139.4 Ų | 139.4 | 74% | 0.736 | 73% | 0.73 | S | S | * | * | cis | -158.2 | 170 | -7.4 | -126.8 | 165.3 | -147.9 | -169.4 | 0.8 | 110.1 | ||||
| 1135 | T | 22 | Very low | 24.7 | Very low | 113 Ų | 113 | 139.5 Ų | 139.5 | 69% | 0.693 | 73% | 0.727 | S | S | * | * | trans | -20.5 | 148.9 | 147.4 | 59.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1136 | E | 24.3 | Very low | 24.9 | Very low | 195 Ų | 195 | 138.6 Ų | 138.6 | 91% | 0.911 | 72% | 0.722 | S | S | * | * | cis | -124.5 | 167.4 | 24.9 | -72.1 | 168.2 | 137.6 | 0 | 0 | 114.2 | ||||
| 1137 | M | 23.9 | Very low | 25.1 | Very low | 156 Ų | 156 | 135.3 Ų | 135.3 | 77% | 0.768 | 71% | 0.71 | S | S | * | * | trans | -129.4 | -174.2 | -176.2 | -160.1 | 165.6 | 69.6 | 0 | 0 | 107.3 | ||||
| 1138 | D | 29.5 | Very low | 25.3 | Very low | 119 Ų | 119 | 134.5 Ų | 134.5 | 64% | 0.636 | 71% | 0.706 | S | S | * | * | trans | 81.3 | 124.5 | 149.9 | -64.2 | -30.1 | 0 | 0 | 0 | 122 | ||||
| 1139 | L | 26 | Very low | 25.6 | Very low | 137 Ų | 137 | 135.5 Ų | 135.5 | 72% | 0.717 | 71% | 0.712 | S | S | * | * | trans | 80.2 | 101 | 136.6 | -63.7 | 165.7 | 0 | 0 | 0 | 121.3 | ||||
| 1140 | D | 25.3 | Very low | 25.6 | Very low | 138 Ų | 138 | 135.5 Ų | 135.5 | 74% | 0.738 | 71% | 0.712 | S | S | * | * | 28.1 | 126.1 | 101.3 | -47.1 | -22.8 | 0 | 0 | 0 | 118.5 | |||||
| 1141 | N | 33.5 | Very low | 25.5 | Very low | 165 Ų | 165 | 137.8 Ų | 137.8 | 88% | 0.882 | 72% | 0.716 | S | S | * | * | trans | -161.8 | 151.5 | 147.3 | -94.2 | -66.2 | 0 | 0 | 0 | 109.9 | ||||
| 1142 | D | 25.1 | Very low | 25.6 | Very low | 156 Ų | 156 | 142.4 Ų | 142.4 | 83% | 0.834 | 73% | 0.727 | S | S | * | * | trans | -110.2 | 179.8 | -173 | -73.2 | -67.9 | 0 | 0 | 0 | 113.7 | ||||
| 1143 | E | 25.4 | Very low | 25.6 | Very low | 172 Ų | 172 | 142.5 Ų | 142.5 | 80% | 0.804 | 73% | 0.728 | S | S | * | * | trans | 87.9 | 151 | 156.5 | -49.4 | -164.9 | 152 | 0 | 0 | 121.7 | ||||
| 1144 | T | 32.4 | Very low | 25.5 | Very low | 118 Ų | 118 | 141.5 Ų | 141.5 | 72% | 0.724 | 74% | 0.735 | S | S | * | * | trans | 75.9 | 150.7 | 165.2 | 75.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1145 | N | 26.1 | Very low | 25.4 | Very low | 119 Ų | 119 | 134.8 Ų | 134.8 | 64% | 0.636 | 73% | 0.727 | S | S | * | * | cis | -159.3 | -171.6 | -18.3 | -110.6 | -11.3 | 0 | 0 | 0 | 112.3 | P1245 | N1145-P1245 WeakPolarHBondContact O-CD 3.28Š| ||
| 1146 | E | 26.1 | Very low | 25.4 | Very low | 126 Ų | 126 | 137 Ų | 137 | 59% | 0.589 | 74% | 0.735 | S | S | * | * | trans | -82 | 168.4 | -160 | -57.7 | -168.5 | 134.8 | 0 | 0 | 120.5 | T1242 I1244 | E1146-T1242 HydrophobicContact CG-CG2 3.87Å; E1146-I1244 CarbonylContact C-O 3.52Å; E1146-I1244 WeakPolarHBondContact CA-O 3.45Å | ||
| 1147 | D | 25.8 | Very low | 25.2 | Very low | 90 Ų | 90 | 131 Ų | 131 | 48% | 0.481 | 72% | 0.718 | S | S | . | * | trans | -32.8 | 142.6 | -175.3 | -85.5 | -62 | 0 | 0 | 0 | 120.8 | I1244 P1245 | D1147-I1244 PolarHBondContact N-O 2.87Å; D1147-I1244 VanDerWaalsContact N-O 3.1Å; D1147-I1244 WeakPolarHBondContact OD1-CG2 3.35Å; D1147-P1245 VanDerWaalsContact CA-CG 3.5Å | ||
| 1148 | L | 25 | Very low | 25.4 | Very low | 134 Ų | 134 | 128.9 Ų | 128.9 | 70% | 0.702 | 72% | 0.719 | S | S | * | * | 174.9 | 161.5 | 110 | -92.9 | 164.8 | 0 | 0 | 0 | 115.9 | |||||
| 1149 | S | 24.2 | Very low | 24.9 | Very low | 113 Ų | 113 | 130.6 Ų | 130.6 | 79% | 0.79 | 73% | 0.727 | S | S | * | * | trans | 70.6 | 175.3 | 155.2 | 81.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1150 | S | 21.4 | Very low | 24.7 | Very low | 96 Ų | 96 | 129.6 Ų | 129.6 | 67% | 0.671 | 73% | 0.732 | S | S | * | * | -167.9 | 137.3 | -78.4 | 54.1 | 0 | 0 | 0 | 0 | 112 | |||||
| 1151 | F | 21 | Very low | 24.5 | Very low | 184 Ų | 184 | 127.6 Ų | 127.6 | 81% | 0.807 | 73% | 0.729 | S | S | * | * | trans | 26.9 | 101.6 | 154.2 | -79.2 | -94.5 | 0 | 0 | 0 | 120.7 | ||||
| 1152 | Y | 27.1 | Very low | 23.9 | Very low | 224 Ų | 224 | 124.7 Ų | 124.7 | 88% | 0.878 | 72% | 0.721 | S | S | * | * | -145.3 | 123.5 | 126.8 | -70.5 | -80.3 | 0 | 0 | 0 | 105.6 | |||||
| 1153 | D | 23 | Very low | 23.7 | Very low | 133 Ų | 133 | 124.5 Ų | 124.5 | 71% | 0.711 | 72% | 0.715 | S | S | * | * | cis | 82.6 | 143.6 | 23.5 | -151 | 14.6 | 0 | 0 | 0 | 115.9 | ||||
| 1154 | A | 23 | Very low | 23.5 | Very low | 88 Ų | 88 | 122.9 Ų | 122.9 | 73% | 0.727 | 72% | 0.717 | S | S | * | * | trans | 67.1 | 139.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 1155 | G | 22.8 | Very low | 22.9 | Very low | 55 Ų | 55 | 124.5 Ų | 124.5 | 57% | 0.567 | 72% | 0.721 | S | S | * | * | trans | 97.1 | 135.5 | 152 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1156 | D | 21.5 | Very low | 22.7 | Very low | 159 Ų | 159 | 125.1 Ų | 125.1 | 85% | 0.85 | 73% | 0.73 | S | S | * | * | cis | -167.7 | 166.5 | -33 | -120.6 | -41.3 | 0 | 0 | 0 | 109.7 | ||||
| 1157 | A | 21.2 | Very low | 22.5 | Very low | 69 Ų | 69 | 124.9 Ų | 124.9 | 57% | 0.57 | 73% | 0.732 | S | S | * | * | trans | -70.4 | 134.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1158 | S | 27.3 | Very low | 22.4 | Very low | 112 Ų | 112 | 127.7 Ų | 127.7 | 78% | 0.783 | 74% | 0.742 | S | S | * | * | trans | -133.7 | 104.5 | 156.8 | 62.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1159 | L | 20.5 | Very low | 22.4 | Very low | 155 Ų | 155 | 129.3 Ų | 129.3 | 81% | 0.812 | 75% | 0.752 | S | S | * | * | 64.4 | 129.7 | 76.6 | -74.5 | 172.4 | 0 | 0 | 0 | 114.9 | |||||
| 1160 | S | 20.7 | Very low | 22.2 | Very low | 115 Ų | 115 | 127.7 Ų | 127.7 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | 68.2 | 149.8 | 173.5 | 83.1 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1161 | S | 22.2 | Very low | 22.4 | Very low | 97 Ų | 97 | 128.3 Ų | 128.3 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | cis | -163.5 | 175.4 | -19.5 | 46.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1162 | S | 21 | Very low | 22.6 | Very low | 103 Ų | 103 | 126.8 Ų | 126.8 | 72% | 0.72 | 76% | 0.755 | S | S | * | * | trans | 50.6 | 127.4 | 148.1 | 58.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1163 | H | 20.1 | Very low | 22.4 | Very low | 153 Ų | 153 | 123.2 Ų | 123.2 | 71% | 0.708 | 76% | 0.757 | S | S | * | * | trans | -43.5 | 141.6 | 147.3 | -70.6 | -89 | 0 | 0 | 0 | 113 | ||||
| 1164 | T | 21.2 | Very low | 22.5 | Very low | 138 Ų | 138 | 125.7 Ų | 125.7 | 85% | 0.847 | 76% | 0.764 | S | S | * | * | -164.2 | 145.3 | 107.2 | 24.9 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 1165 | D | 20.7 | Very low | 22.6 | Very low | 152 Ų | 152 | 125 Ų | 125 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | trans | -75.9 | 128.4 | 166 | -59.9 | -92.4 | 0 | 0 | 0 | 111.2 | ||||
| 1166 | T | 21.7 | Very low | 22.7 | Very low | 132 Ų | 132 | 134.1 Ų | 134.1 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | trans | -143.8 | 99.2 | 144.8 | 39.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 1167 | N | 21.8 | Very low | 23 | Very low | 120 Ų | 120 | 133.5 Ų | 133.5 | 64% | 0.642 | 78% | 0.778 | S | S | * | * | 29.8 | 138.1 | 122.8 | -97 | -48.1 | 0 | 0 | 0 | 120.6 | |||||
| 1168 | Q | 22.6 | Very low | 23.3 | Very low | 149 Ų | 149 | 142.1 Ų | 142.1 | 70% | 0.696 | 80% | 0.796 | S | S | * | * | trans | 69.4 | 95 | 141.3 | -63.5 | 165.5 | 40.9 | 0 | 0 | 118.3 | ||||
| 1169 | N | 25.6 | Very low | 23.8 | Very low | 168 Ų | 168 | 144.2 Ų | 144.2 | 90% | 0.898 | 79% | 0.786 | S | S | * | * | -145.8 | 137.4 | 108.1 | -98.1 | -48.5 | 0 | 0 | 0 | 110.1 | |||||
| 1170 | G | 20.6 | Very low | 24.5 | Very low | 80 Ų | 80 | 139.9 Ų | 139.9 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | trans | -119.5 | 107.8 | -170.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1171 | P | 25.2 | Very low | 25.2 | Very low | 109 Ų | 109 | 140 Ų | 140 | 71% | 0.708 | 76% | 0.76 | S | S | * | * | trans | -92.9 | 152 | 174.5 | 35 | -32.9 | 0 | 0 | 0 | 113.4 | ||||
| 1172 | N | 24.9 | Very low | 25.9 | Very low | 152 Ų | 152 | 145.7 Ų | 145.7 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | trans | 51.5 | 100.3 | 148.8 | -61.5 | -6.7 | 0 | 0 | 0 | 119.7 | E1174 | N1172-E1174 PolarHBondContact O-N 2.89Š| ||
| 1173 | T | 22.5 | Very low | 26.9 | Very low | 149 Ų | 149 | 145.6 Ų | 145.6 | 91% | 0.914 | 76% | 0.755 | S | S | * | * | trans | -68.1 | 98.8 | 159.3 | 49.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1174 | E | 25.6 | Very low | 28 | Very low | 185 Ų | 185 | 143.5 Ų | 143.5 | 86% | 0.864 | 75% | 0.745 | S | S | * | * | trans | -86.1 | 119 | 162.2 | -74.3 | -151.8 | 147.6 | 0 | 0 | 112 | N1172 R1176 | N1172-E1174 PolarHBondContact O-N 2.89Å; E1174-R1176 PolarHBondContact O-N 3.28Å | ||
| 1175 | G | 24.9 | Very low | 28.8 | Very low | 73 Ų | 73 | 145.2 Ų | 145.2 | 75% | 0.753 | 74% | 0.736 | S | S | * | * | trans | -75.9 | 73.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | I1177 | G1175-I1177 VanDerWaalsContact C-N 3.32Å; G1175-I1177 PolarHBondContact O-N 3.32Å | ||
| 1176 | R | 26 | Very low | 30.3 | Very low | 246 Ų | 246 | 147.6 Ų | 147.6 | 93% | 0.928 | 73% | 0.734 | S | S | * | * | trans | -70.3 | 83.4 | 177.3 | -154.2 | 175 | -161 | -179.7 | 8.4 | 112.2 | E1174 R1178 | E1174-R1176 PolarHBondContact O-N 3.28Å; R1176-R1178 PolarHBondContact O-N 3.04Å | ||
| 1177 | I | 26.7 | Very low | 31.9 | Very low | 147 Ų | 147 | 144.6 Ų | 144.6 | 75% | 0.754 | 71% | 0.713 | S | S | * | * | trans | -39.3 | 115.7 | -170.6 | -57.3 | 174.9 | 0 | 0 | 0 | 113.4 | G1175 R1179 | G1175-I1177 VanDerWaalsContact C-N 3.32Å; G1175-I1177 PolarHBondContact O-N 3.32Å; I1177-R1179 PolarHBondContact O-N 3.16Å | ||
| 1178 | R | 27.4 | Very low | 33.4 | Very low | 249 Ų | 249 | 144.2 Ų | 144.2 | 94% | 0.94 | 71% | 0.71 | S | S | * | * | trans | -64.8 | 88.9 | 172.5 | -84.4 | -178.5 | 167.9 | 169.3 | -3.1 | 111 | R1176 S1180 | R1176-R1178 PolarHBondContact O-N 3.04Å; R1178-S1180 PolarHBondContact O-N 3.26Å | ||
| 1179 | R | 37.1 | Very low | 34.9 | Very low | 156 Ų | 156 | 141 Ų | 141 | 59% | 0.589 | 70% | 0.701 | S | S | * | * | trans | -58.4 | 125.6 | 172.7 | -65.9 | -178 | -175.9 | 175.5 | 1.1 | 109.9 | I1177 Q1183 | I1177-R1179 PolarHBondContact O-N 3.16Å; R1179-Q1183 VanDerWaalsContact CA-OE1 3.25Å; R1179-Q1183 HydrophobicContact CB-CB 4.19Å; R1179-Q1183 VanDerWaalsContact CB-OE1 3.26Å | ||
| 1180 | S | 36.3 | Very low | 36.5 | Very low | 65 Ų | 65 | 139.5 Ų | 139.5 | 46% | 0.455 | 69% | 0.686 | S | S | . | * | trans | -62.4 | 159.2 | -170.2 | 70.5 | 0 | 0 | 0 | 0 | 112.9 | R1178 R1182 Q1183 Q1184 | R1178-S1180 PolarHBondContact O-N 3.26Å; S1180-R1182 PolarHBondContact O-N 3.39Å; S1180-Q1183 CarbonylContact O-C 3.57Å; S1180-Q1183 WeakPolarHBondContact O-CA 3.48Å; S1180-Q1183 WeakPolarHBondContact O-CB 3.44Å; S1180-Q1183 PolarHBondContact O-N 3.06Å; S1180-Q1183 PolarHBondContact OG-N 3Å; S1180-Q1184 PolarHBondContact O-N 3.28Å | ||
| 1181 | L | 36 | Very low | 38.7 | Very low | 117 Ų | 117 | 144 Ų | 144 | 61% | 0.613 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -54.5 | -28.4 | 176.7 | -164.2 | 75.2 | 0 | 0 | 0 | 112.4 | R1185 | L1181-R1185 WeakPolarHBondContact O-CB 3.3Å; L1181-R1185 WeakPolarHBondContact O-CG 3.49Å; L1181-R1185 PolarHBondContact O-N 3.38Å |
| 1182 | R | 36.1 | Very low | 40.1 | Very low | 217 Ų | 217 | 147 Ų | 147 | 82% | 0.819 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -71.6 | -38.9 | 174.6 | -138.3 | 178.4 | -169.3 | -176.1 | 4.8 | 112.3 | S1180 R1186 | S1180-R1182 PolarHBondContact O-N 3.39Å; R1182-R1186 PolarHBondContact O-N 3.42Å |
| 1183 | Q | 41.8 | Very low | 42.2 | Very low | 100 Ų | 100 | 144.7 Ų | 144.7 | 47% | 0.467 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -70.4 | -38.8 | 170.5 | -74.9 | 178.4 | -22.6 | 0 | 0 | 111.9 | R1179 S1180 R1186 L1187 | R1179-Q1183 VanDerWaalsContact CA-OE1 3.25Å; R1179-Q1183 HydrophobicContact CB-CB 4.19Å; R1179-Q1183 VanDerWaalsContact CB-OE1 3.26Å; S1180-Q1183 CarbonylContact O-C 3.57Å; S1180-Q1183 WeakPolarHBondContact O-CA 3.48Å; S1180-Q1183 WeakPolarHBondContact O-CB 3.44Å; S1180-Q1183 PolarHBondContact O-N 3.06Å; S1180-Q1183 PolarHBondContact OG-N 3Å; Q1183-R1186 PolarHBondContact O-N 3.12Å; Q1183-L1187 WeakPolarHBondContact O-CB 3.47Å; Q1183-L1187 PolarHBondContact O-N 3.11Å |
| 1184 | Q | 43.7 | Very low | 44.5 | Very low | 109 Ų | 109 | 143.1 Ų | 143.1 | 51% | 0.509 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -63.1 | -43.3 | 173.9 | -69.3 | -179.1 | -14.1 | 0 | 0 | 111.3 | S1180 L1187 L1188 | S1180-Q1184 PolarHBondContact O-N 3.28Å; Q1184-L1187 CarbonylContact O-C 3.59Å; Q1184-L1187 PolarHBondContact O-N 2.86Å; Q1184-L1188 WeakPolarHBondContact O-CB 3.29Å; Q1184-L1188 PolarHBondContact O-N 3.36Å |
| 1185 | R | 38.6 | Very low | 46.3 | Very low | 174 Ų | 174 | 142.9 Ų | 142.9 | 66% | 0.657 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -64.1 | -41.5 | 171.8 | -77.5 | -173.8 | 178.7 | -167.2 | 0.5 | 112.3 | L1181 L1187 L1188 V1189 | L1181-R1185 WeakPolarHBondContact O-CB 3.3Å; L1181-R1185 WeakPolarHBondContact O-CG 3.49Å; L1181-R1185 PolarHBondContact O-N 3.38Å; R1185-L1187 VanDerWaalsContact C-N 3.31Å; R1185-L1187 PolarHBondContact O-N 2.95Å; R1185-L1188 PolarHBondContact O-N 2.9Å; R1185-L1188 VanDerWaalsContact O-N 3.17Å; R1185-V1189 WeakPolarHBondContact O-CB 3.42Å; R1185-V1189 WeakPolarHBondContact O-CG2 3.49Å; R1185-V1189 PolarHBondContact O-N 3.45Å |
| 1186 | R | 52.2 | Low | 48 | Very low | 203 Ų | 203 | 143.5 Ų | 143.5 | 77% | 0.766 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -59.8 | -38.9 | 171.2 | -96.1 | -173 | 166.7 | -170.1 | -5.6 | 112.5 | R1182 Q1183 K1190 | R1182-R1186 PolarHBondContact O-N 3.42Å; Q1183-R1186 PolarHBondContact O-N 3.12Å; R1186-K1190 VanDerWaalsContact O-CB 3.25Å; R1186-K1190 WeakPolarHBondContact O-CB 3.46Å; R1186-K1190 PolarHBondContact O-N 2.98Å |
| 1187 | L | 55.2 | Low | 49.9 | Very low | 69 Ų | 69 | 134.2 Ų | 134.2 | 36% | 0.361 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -71.7 | -31.7 | 173.9 | -89 | 162.6 | 0 | 0 | 0 | 112.9 | Q1183 Q1184 R1185 R1191 | Q1183-L1187 WeakPolarHBondContact O-CB 3.47Å; Q1183-L1187 PolarHBondContact O-N 3.11Å; Q1184-L1187 CarbonylContact O-C 3.59Å; Q1184-L1187 PolarHBondContact O-N 2.86Å; R1185-L1187 VanDerWaalsContact C-N 3.31Å; R1185-L1187 PolarHBondContact O-N 2.95Å; L1187-R1191 WeakPolarHBondContact O-CB 3.43Å; L1187-R1191 WeakPolarHBondContact O-CG 3.45Å; L1187-R1191 PolarHBondContact O-N 3.4Å |
| 1188 | L | 52.8 | Low | 51.8 | Low | 112 Ų | 112 | 133.8 Ų | 133.8 | 59% | 0.586 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -71.7 | -43.2 | 175.4 | -165.3 | 76.4 | 0 | 0 | 0 | 111.1 | Q1184 R1185 R1191 R1192 | Q1184-L1188 WeakPolarHBondContact O-CB 3.29Å; Q1184-L1188 PolarHBondContact O-N 3.36Å; R1185-L1188 PolarHBondContact O-N 2.9Å; R1185-L1188 VanDerWaalsContact O-N 3.17Å; L1188-R1191 CarbonylContact O-C 3.2Å; L1188-R1191 PolarHBondContact O-N 2.93Å; L1188-R1192 PolarHBondContact O-N 3.44Å |
| 1189 | V | 54.4 | Low | 53.3 | Low | 82 Ų | 82 | 127.2 Ų | 127.2 | 50% | 0.497 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.9 | -47.7 | 171.9 | 172 | 0 | 0 | 0 | 0 | 110.1 | R1185 R1191 R1192 L1193 | R1185-V1189 WeakPolarHBondContact O-CB 3.42Å; R1185-V1189 WeakPolarHBondContact O-CG2 3.49Å; R1185-V1189 PolarHBondContact O-N 3.45Å; V1189-R1191 PolarHBondContact O-N 3.12Å; V1189-R1192 PolarHBondContact O-N 2.87Å; V1189-L1193 HydrophobicContact CG1-CD1 3.93Å; V1189-L1193 HydrophobicContact CG1-CG 4.38Å; V1189-L1193 WeakPolarHBondContact O-CB 3.5Å; V1189-L1193 WeakPolarHBondContact O-CG 3.15Å; V1189-L1193 PolarHBondContact O-N 3.35Å |
| 1190 | K | 59.1 | Low | 54.1 | Low | 136 Ų | 136 | 122 Ų | 122 | 59% | 0.591 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -61.6 | -31.8 | 174 | -166.2 | 168.8 | -175.3 | 175.7 | 0 | 112.1 | R1186 M1194 | R1186-K1190 VanDerWaalsContact O-CB 3.25Å; R1186-K1190 WeakPolarHBondContact O-CB 3.46Å; R1186-K1190 PolarHBondContact O-N 2.98Å; K1190-M1194 HydrophobicContact CG-CG 4.39Å; K1190-M1194 VanDerWaalsContact O-CB 3.26Å; K1190-M1194 WeakPolarHBondContact O-CB 3.42Å; K1190-M1194 WeakPolarHBondContact O-CG 3.34Å; K1190-M1194 PolarHBondContact O-N 2.87Å |
| 1191 | R | 65.4 | Low | 55.3 | Low | 174 Ų | 174 | 124.6 Ų | 124.6 | 66% | 0.657 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -76.7 | -25.2 | 172.6 | -78.4 | 171.1 | 171 | -172.3 | -4.6 | 114.1 | L1187 L1188 V1189 R1195 | L1187-R1191 WeakPolarHBondContact O-CB 3.43Å; L1187-R1191 WeakPolarHBondContact O-CG 3.45Å; L1187-R1191 PolarHBondContact O-N 3.4Å; L1188-R1191 CarbonylContact O-C 3.2Å; L1188-R1191 PolarHBondContact O-N 2.93Å; V1189-R1191 PolarHBondContact O-N 3.12Å; R1191-R1195 WeakPolarHBondContact O-CB 3.29Å; R1191-R1195 WeakPolarHBondContact O-CD 3.31Å; R1191-R1195 VanDerWaalsContact O-CG 3.22Å; R1191-R1195 WeakPolarHBondContact O-CG 3.44Å; R1191-R1195 PolarHBondContact O-N 2.61Å |
| 1192 | R | 55.5 | Low | 56.4 | Low | 171 Ų | 171 | 121.4 Ų | 121.4 | 65% | 0.645 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -71.8 | -54.6 | 167 | -91 | -165.6 | 177 | -171.3 | -3 | 109.9 | L1188 V1189 M1194 R1195 E1196 | L1188-R1192 PolarHBondContact O-N 3.44Å; V1189-R1192 PolarHBondContact O-N 2.87Å; R1192-M1194 VanDerWaalsContact C-N 3.32Å; R1192-M1194 PolarHBondContact O-N 2.84Å; R1192-R1195 CarbonylContact O-C 3.46Å; R1192-R1195 VanDerWaalsContact O-CA 3.29Å; R1192-R1195 WeakPolarHBondContact O-CA 3.47Å; R1192-R1195 WeakPolarHBondContact O-CB 3.28Å; R1192-R1195 PolarHBondContact O-N 2.79Å; R1192-E1196 VanDerWaalsContact O-CD 3.28Å; R1192-E1196 PolarHBondContact O-N 3.16Å; R1192-E1196 VanDerWaalsContact O-OE2 3.11Å |
| 1193 | L | 68.4 | Low | 56.9 | Low | 105 Ų | 105 | 118.8 Ų | 118.8 | 55% | 0.55 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -53.4 | -44.1 | 174.8 | -70.1 | 169.8 | 0 | 0 | 0 | 112.4 | V1189 R1195 E1196 A1197 | V1189-L1193 HydrophobicContact CG1-CD1 3.93Å; V1189-L1193 HydrophobicContact CG1-CG 4.38Å; V1189-L1193 WeakPolarHBondContact O-CB 3.5Å; V1189-L1193 WeakPolarHBondContact O-CG 3.15Å; V1189-L1193 PolarHBondContact O-N 3.35Å; L1193-R1195 VanDerWaalsContact C-N 3.27Å; L1193-R1195 PolarHBondContact O-N 3.44Å; L1193-E1196 PolarHBondContact N-OE2 3.41Å; L1193-E1196 PolarHBondContact O-N 2.94Å; L1193-A1197 WeakPolarHBondContact O-CB 3.41Å; L1193-A1197 PolarHBondContact O-N 3.3Å |
| 1194 | M | 71.3 | Confident | 57.8 | Low | 115 Ų | 115 | 116.8 Ų | 116.8 | 57% | 0.567 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.8 | -25.4 | 173.9 | -70.6 | -74.1 | -64.8 | 0 | 0 | 113.5 | K1190 R1192 K1198 | K1190-M1194 HydrophobicContact CG-CG 4.39Å; K1190-M1194 VanDerWaalsContact O-CB 3.26Å; K1190-M1194 WeakPolarHBondContact O-CB 3.42Å; K1190-M1194 WeakPolarHBondContact O-CG 3.34Å; K1190-M1194 PolarHBondContact O-N 2.87Å; R1192-M1194 VanDerWaalsContact C-N 3.32Å; R1192-M1194 PolarHBondContact O-N 2.84Å; M1194-K1198 WeakPolarHBondContact O-CB 3.09Å; M1194-K1198 WeakPolarHBondContact O-CG 3.36Å; M1194-K1198 PolarHBondContact O-N 3.26Å |
| 1195 | R | 62.6 | Low | 58.8 | Low | 181 Ų | 181 | 113.6 Ų | 113.6 | 68% | 0.683 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -84.6 | -32.3 | 173.5 | -77.3 | 172.2 | 171.6 | -175.5 | -4.1 | 112.6 | R1191 R1192 L1193 K1199 | R1191-R1195 WeakPolarHBondContact O-CB 3.29Å; R1191-R1195 WeakPolarHBondContact O-CD 3.31Å; R1191-R1195 VanDerWaalsContact O-CG 3.22Å; R1191-R1195 WeakPolarHBondContact O-CG 3.44Å; R1191-R1195 PolarHBondContact O-N 2.61Å; R1192-R1195 CarbonylContact O-C 3.46Å; R1192-R1195 VanDerWaalsContact O-CA 3.29Å; R1192-R1195 WeakPolarHBondContact O-CA 3.47Å; R1192-R1195 WeakPolarHBondContact O-CB 3.28Å; R1192-R1195 PolarHBondContact O-N 2.79Å; L1193-R1195 VanDerWaalsContact C-N 3.27Å; L1193-R1195 PolarHBondContact O-N 3.44Å; R1195-K1199 WeakPolarHBondContact O-CB 3.32Å; R1195-K1199 WeakPolarHBondContact O-CD 3.47Å; R1195-K1199 WeakPolarHBondContact O-CG 3.38Å; R1195-K1199 PolarHBondContact O-N 3.48Å |
| 1196 | E | 61.3 | Low | 59.1 | Low | 86 Ų | 86 | 112.8 Ų | 112.8 | 40% | 0.402 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -71.7 | -41.5 | 171.1 | -82 | 106.1 | -133 | 0 | 0 | 110.8 | R1192 L1193 K1199 A1200 | R1192-E1196 VanDerWaalsContact O-CD 3.28Å; R1192-E1196 PolarHBondContact O-N 3.16Å; R1192-E1196 VanDerWaalsContact O-OE2 3.11Å; L1193-E1196 PolarHBondContact N-OE2 3.41Å; L1193-E1196 PolarHBondContact O-N 2.94Å; E1196-K1199 CarbonylContact O-C 3.57Å; E1196-K1199 WeakPolarHBondContact O-CB 3.28Å; E1196-K1199 PolarHBondContact O-N 3.02Å; E1196-K1199 VanDerWaalsContact O-N 3.16Å; E1196-A1200 PolarHBondContact O-N 2.83Å |
| 1197 | A | 66.3 | Low | 59.5 | Low | 51 Ų | 51 | 105.5 Ų | 105.5 | 42% | 0.421 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.6 | -53.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | L1193 K1199 A1200 E1201 | L1193-A1197 WeakPolarHBondContact O-CB 3.41Å; L1193-A1197 PolarHBondContact O-N 3.3Å; A1197-K1199 PolarHBondContact O-N 2.8Å; A1197-K1199 VanDerWaalsContact O-N 3.12Å; A1197-A1200 CarbonylContact O-C 3.59Å; A1197-A1200 WeakPolarHBondContact O-CA 3.46Å; A1197-A1200 WeakPolarHBondContact O-CB 3.26Å; A1197-A1200 PolarHBondContact O-N 2.81Å; A1197-E1201 WeakPolarHBondContact O-CB 3.17Å; A1197-E1201 PolarHBondContact O-N 2.84Å |
| 1198 | K | 67.4 | Low | 59.9 | Low | 138 Ų | 138 | 107 Ų | 107 | 60% | 0.6 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -58.6 | -26 | 173.9 | -80.1 | -134.8 | 159.5 | -166.7 | 0 | 114.3 | M1194 E1201 A1202 | M1194-K1198 WeakPolarHBondContact O-CB 3.09Å; M1194-K1198 WeakPolarHBondContact O-CG 3.36Å; M1194-K1198 PolarHBondContact O-N 3.26Å; K1198-E1201 WeakPolarHBondContact CG-OE2 3.48Å; K1198-A1202 WeakPolarHBondContact O-CB 3.17Å; K1198-A1202 PolarHBondContact O-N 3.37Å |
| 1199 | K | 57.7 | Low | 60.3 | Low | 110 Ų | 110 | 106.6 Ų | 106.6 | 48% | 0.478 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -77.4 | -36.1 | 170.5 | -75.5 | 166.7 | -178.6 | 177.1 | 0 | 112.2 | R1195 E1196 A1197 R1203 | R1195-K1199 WeakPolarHBondContact O-CB 3.32Å; R1195-K1199 WeakPolarHBondContact O-CD 3.47Å; R1195-K1199 WeakPolarHBondContact O-CG 3.38Å; R1195-K1199 PolarHBondContact O-N 3.48Å; E1196-K1199 CarbonylContact O-C 3.57Å; E1196-K1199 WeakPolarHBondContact O-CB 3.28Å; E1196-K1199 PolarHBondContact O-N 3.02Å; E1196-K1199 VanDerWaalsContact O-N 3.16Å; A1197-K1199 PolarHBondContact O-N 2.8Å; A1197-K1199 VanDerWaalsContact O-N 3.12Å; K1199-R1203 VanDerWaalsContact O-CG 3.29Å; K1199-R1203 WeakPolarHBondContact O-CG 3.42Å; K1199-R1203 PolarHBondContact O-N 2.78Å; K1199-R1203 PolarHBondContact O-NH1 3.37Å |
| 1200 | A | 54.8 | Low | 60 | Low | 47 Ų | 47 | 109.1 Ų | 109.1 | 39% | 0.388 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.9 | -49.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | E1196 A1197 A1202 R1203 A1204 | E1196-A1200 PolarHBondContact O-N 2.83Å; A1197-A1200 CarbonylContact O-C 3.59Å; A1197-A1200 WeakPolarHBondContact O-CA 3.46Å; A1197-A1200 WeakPolarHBondContact O-CB 3.26Å; A1197-A1200 PolarHBondContact O-N 2.81Å; A1200-A1202 VanDerWaalsContact C-N 3.35Å; A1200-A1202 PolarHBondContact O-N 2.87Å; A1200-R1203 CarbonylContact O-C 3.45Å; A1200-R1203 WeakPolarHBondContact O-CA 3Å; A1200-R1203 WeakPolarHBondContact O-CB 3.42Å; A1200-R1203 PolarHBondContact O-N 2.94Å; A1200-A1204 WeakPolarHBondContact O-CB 3.19Å; A1200-A1204 PolarHBondContact O-N 3Å |
| 1201 | E | 61.7 | Low | 59.7 | Low | 119 Ų | 119 | 110.2 Ų | 110.2 | 56% | 0.556 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -51.6 | -47.8 | 169.3 | -172.8 | -178.9 | -111 | 0 | 0 | 111.4 | A1197 K1198 R1203 A1204 A1205 | A1197-E1201 WeakPolarHBondContact O-CB 3.17Å; A1197-E1201 PolarHBondContact O-N 2.84Å; K1198-E1201 WeakPolarHBondContact CG-OE2 3.48Å; E1201-R1203 PolarHBondContact O-N 2.85Å; E1201-A1204 PolarHBondContact O-N 2.94Å; E1201-A1205 WeakPolarHBondContact O-CB 3.28Å; E1201-A1205 PolarHBondContact O-N 2.84Å |
| 1202 | A | 58.5 | Low | 59.3 | Low | 50 Ų | 50 | 108.1 Ų | 108.1 | 41% | 0.413 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -71 | -22.5 | 175 | 0 | 0 | 0 | 0 | 0 | 114.8 | K1198 A1200 R1206 | K1198-A1202 WeakPolarHBondContact O-CB 3.17Å; K1198-A1202 PolarHBondContact O-N 3.37Å; A1200-A1202 VanDerWaalsContact C-N 3.35Å; A1200-A1202 PolarHBondContact O-N 2.87Å; A1202-R1206 WeakPolarHBondContact O-CB 3.48Å; A1202-R1206 VanDerWaalsContact O-CG 3.25Å; A1202-R1206 WeakPolarHBondContact O-CG 3.48Å; A1202-R1206 PolarHBondContact O-N 3.27Å |
| 1203 | R | 46.7 | Very low | 58.5 | Low | 163 Ų | 163 | 103 Ų | 103 | 62% | 0.615 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -77.2 | -41.6 | 168.9 | -74.8 | -177 | -145.6 | 104.4 | -14.8 | 110.9 | K1199 A1200 E1201 R1206 A1207 | K1199-R1203 VanDerWaalsContact O-CG 3.29Å; K1199-R1203 WeakPolarHBondContact O-CG 3.42Å; K1199-R1203 PolarHBondContact O-N 2.78Å; K1199-R1203 PolarHBondContact O-NH1 3.37Å; A1200-R1203 CarbonylContact O-C 3.45Å; A1200-R1203 WeakPolarHBondContact O-CA 3Å; A1200-R1203 WeakPolarHBondContact O-CB 3.42Å; A1200-R1203 PolarHBondContact O-N 2.94Å; E1201-R1203 PolarHBondContact O-N 2.85Å; R1203-R1206 PolarHBondContact O-N 2.77Å; R1203-A1207 WeakPolarHBondContact O-CB 3.23Å; R1203-A1207 PolarHBondContact O-N 2.8Å |
| 1204 | A | 60.4 | Low | 56.9 | Low | 58 Ų | 58 | 101.5 Ų | 101.5 | 48% | 0.479 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.5 | -48.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | A1200 E1201 R1206 A1207 E1208 | A1200-A1204 WeakPolarHBondContact O-CB 3.19Å; A1200-A1204 PolarHBondContact O-N 3Å; E1201-A1204 PolarHBondContact O-N 2.94Å; A1204-R1206 VanDerWaalsContact C-N 3.27Å; A1204-R1206 PolarHBondContact O-N 2.82Å; A1204-A1207 CarbonylContact O-C 3.55Å; A1204-A1207 PolarHBondContact O-N 2.81Å; A1204-A1207 VanDerWaalsContact O-N 3.12Å; A1204-E1208 WeakPolarHBondContact O-CB 3.3Å; A1204-E1208 PolarHBondContact O-N 3.31Å |
| 1205 | A | 65.2 | Low | 55.4 | Low | 42 Ų | 42 | 100.7 Ų | 100.7 | 35% | 0.347 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.7 | -35.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | E1201 E1208 I1209 | E1201-A1205 WeakPolarHBondContact O-CB 3.28Å; E1201-A1205 PolarHBondContact O-N 2.84Å; A1205-E1208 WeakPolarHBondContact O-CB 3.42Å; A1205-I1209 WeakPolarHBondContact O-CB 3.04Å; A1205-I1209 WeakPolarHBondContact O-CD1 3.48Å; A1205-I1209 WeakPolarHBondContact O-CG1 3.29Å; A1205-I1209 PolarHBondContact O-N 2.85Å |
| 1206 | R | 44.2 | Very low | 54.1 | Low | 157 Ų | 157 | 94 Ų | 94 | 59% | 0.592 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -69.5 | -44.3 | 172.2 | -78.9 | 176.2 | 178.4 | -155.5 | -2.6 | 112.4 | A1202 R1203 A1204 E1208 I1209 E1210 | A1202-R1206 WeakPolarHBondContact O-CB 3.48Å; A1202-R1206 VanDerWaalsContact O-CG 3.25Å; A1202-R1206 WeakPolarHBondContact O-CG 3.48Å; A1202-R1206 PolarHBondContact O-N 3.27Å; R1203-R1206 PolarHBondContact O-N 2.77Å; A1204-R1206 VanDerWaalsContact C-N 3.27Å; A1204-R1206 PolarHBondContact O-N 2.82Å; R1206-E1208 VanDerWaalsContact C-N 3.27Å; R1206-E1208 PolarHBondContact O-N 3.3Å; R1206-I1209 CarbonylContact O-C 3.54Å; R1206-I1209 PolarHBondContact O-N 3.15Å; R1206-I1209 VanDerWaalsContact O-N 3.16Å; R1206-E1210 WeakPolarHBondContact O-CB 3.44Å; R1206-E1210 WeakPolarHBondContact O-CG 3.43Å; R1206-E1210 PolarHBondContact O-N 3.48Å |
| 1207 | A | 60.8 | Low | 52.9 | Low | 50 Ų | 50 | 99.8 Ų | 99.8 | 41% | 0.413 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.7 | -31.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R1203 A1204 K1211 | R1203-A1207 WeakPolarHBondContact O-CB 3.23Å; R1203-A1207 PolarHBondContact O-N 2.8Å; A1204-A1207 CarbonylContact O-C 3.55Å; A1204-A1207 PolarHBondContact O-N 2.81Å; A1204-A1207 VanDerWaalsContact O-N 3.12Å; A1207-K1211 WeakPolarHBondContact O-CB 3.43Å; A1207-K1211 PolarHBondContact O-N 3.39Å |
| 1208 | E | 63.1 | Low | 51.1 | Low | 99 Ų | 99 | 108 Ų | 108 | 46% | 0.463 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.8 | -47.4 | 168.2 | -97 | -153 | 99.6 | 0 | 0 | 112 | A1204 A1205 R1206 E1210 K1211 K1212 | A1204-E1208 WeakPolarHBondContact O-CB 3.3Å; A1204-E1208 PolarHBondContact O-N 3.31Å; A1205-E1208 WeakPolarHBondContact O-CB 3.42Å; R1206-E1208 VanDerWaalsContact C-N 3.27Å; R1206-E1208 PolarHBondContact O-N 3.3Å; E1208-E1210 VanDerWaalsContact C-N 3.27Å; E1208-E1210 PolarHBondContact O-N 3.43Å; E1208-K1211 PolarHBondContact O-N 2.86Å; E1208-K1212 VanDerWaalsContact O-CB 3.29Å; E1208-K1212 WeakPolarHBondContact O-CB 3.4Å; E1208-K1212 VanDerWaalsContact O-CG 3.3Å; E1208-K1212 WeakPolarHBondContact O-CG 3.43Å; E1208-K1212 PolarHBondContact O-N 2.96Å; E1208-K1212 WeakPolarHBondContact OE1-CE 3.43Å; E1208-K1212 IonicContact OE1-NZ 2.69Å; E1208-K1212 PolarHBondContact OE1-NZ 2.92Å |
| 1209 | I | 62.1 | Low | 49.3 | Very low | 105 Ų | 105 | 105 Ų | 105 | 54% | 0.538 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.5 | -37.3 | 176.1 | -71.7 | 162.8 | 0 | 0 | 0 | 110.2 | A1205 R1206 K1212 C1213 | A1205-I1209 WeakPolarHBondContact O-CB 3.04Å; A1205-I1209 WeakPolarHBondContact O-CD1 3.48Å; A1205-I1209 WeakPolarHBondContact O-CG1 3.29Å; A1205-I1209 PolarHBondContact O-N 2.85Å; R1206-I1209 CarbonylContact O-C 3.54Å; R1206-I1209 PolarHBondContact O-N 3.15Å; R1206-I1209 VanDerWaalsContact O-N 3.16Å; I1209-K1212 PolarHBondContact O-N 3.03Å; I1209-C1213 WeakPolarHBondContact O-CB 3.42Å; I1209-C1213 PolarHBondContact O-N 2.82Å; I1209-C1213 PolarHBondContact O-SG 3.32Å |
| 1210 | E | 48.7 | Very low | 47.8 | Very low | 135 Ų | 135 | 110 Ų | 110 | 63% | 0.631 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -71.5 | -39.5 | 175.3 | -74.2 | 171.1 | 174.7 | 0 | 0 | 112 | R1206 E1208 C1213 S1214 | R1206-E1210 WeakPolarHBondContact O-CB 3.44Å; R1206-E1210 WeakPolarHBondContact O-CG 3.43Å; R1206-E1210 PolarHBondContact O-N 3.48Å; E1208-E1210 VanDerWaalsContact C-N 3.27Å; E1208-E1210 PolarHBondContact O-N 3.43Å; E1210-C1213 PolarHBondContact O-N 3.01Å; E1210-S1214 WeakPolarHBondContact O-CB 3.03Å; E1210-S1214 PolarHBondContact O-N 2.86Å |
| 1211 | K | 51.8 | Low | 46.4 | Very low | 159 Ų | 159 | 118.5 Ų | 118.5 | 69% | 0.691 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -58.1 | -51.6 | 167.7 | -96.8 | -170.4 | 170.6 | -171.3 | 0 | 110.9 | A1207 E1208 C1213 S1214 V1215 | A1207-K1211 WeakPolarHBondContact O-CB 3.43Å; A1207-K1211 PolarHBondContact O-N 3.39Å; E1208-K1211 PolarHBondContact O-N 2.86Å; K1211-C1213 PolarHBondContact O-N 3.18Å; K1211-S1214 WeakPolarHBondContact O-CB 3.38Å; K1211-S1214 PolarHBondContact O-N 3.3Å; K1211-S1214 VanDerWaalsContact O-N 3.12Å; K1211-V1215 WeakPolarHBondContact O-CG2 3.37Å; K1211-V1215 PolarHBondContact O-N 3.32Å |
| 1212 | K | 56.9 | Low | 44.6 | Very low | 130 Ų | 130 | 121.1 Ų | 121.1 | 57% | 0.565 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -63.2 | -39.8 | -179.3 | -74.1 | 164.7 | 175.4 | 167.3 | 0 | 111.3 | E1208 I1209 A1216 | E1208-K1212 VanDerWaalsContact O-CB 3.29Å; E1208-K1212 WeakPolarHBondContact O-CB 3.4Å; E1208-K1212 VanDerWaalsContact O-CG 3.3Å; E1208-K1212 WeakPolarHBondContact O-CG 3.43Å; E1208-K1212 PolarHBondContact O-N 2.96Å; E1208-K1212 WeakPolarHBondContact OE1-CE 3.43Å; E1208-K1212 IonicContact OE1-NZ 2.69Å; E1208-K1212 PolarHBondContact OE1-NZ 2.92Å; I1209-K1212 PolarHBondContact O-N 3.03Å; K1212-A1216 WeakPolarHBondContact O-CB 3.3Å; K1212-A1216 PolarHBondContact O-N 2.94Å |
| 1213 | C | 37.8 | Very low | 43 | Very low | 63 Ų | 63 | 126.4 Ų | 126.4 | 43% | 0.426 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -68.8 | -34.2 | 171.8 | -75.1 | 0 | 0 | 0 | 0 | 113.3 | I1209 E1210 K1211 R1217 | I1209-C1213 WeakPolarHBondContact O-CB 3.42Å; I1209-C1213 PolarHBondContact O-N 2.82Å; I1209-C1213 PolarHBondContact O-SG 3.32Å; E1210-C1213 PolarHBondContact O-N 3.01Å; K1211-C1213 PolarHBondContact O-N 3.18Å; C1213-R1217 WeakPolarHBondContact O-CB 3.32Å; C1213-R1217 VanDerWaalsContact O-CG 3.27Å; C1213-R1217 WeakPolarHBondContact O-CG 3.49Å; C1213-R1217 PolarHBondContact O-N 3.28Å |
| 1214 | S | 36.4 | Very low | 41.7 | Very low | 73 Ų | 73 | 126.1 Ų | 126.1 | 51% | 0.51 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -69 | -48.9 | 175.9 | -176.6 | 0 | 0 | 0 | 0 | 111.1 | E1210 K1211 A1216 R1217 R1218 | E1210-S1214 WeakPolarHBondContact O-CB 3.03Å; E1210-S1214 PolarHBondContact O-N 2.86Å; K1211-S1214 WeakPolarHBondContact O-CB 3.38Å; K1211-S1214 PolarHBondContact O-N 3.3Å; K1211-S1214 VanDerWaalsContact O-N 3.12Å; S1214-A1216 PolarHBondContact O-N 2.65Å; S1214-R1217 PolarHBondContact O-N 2.66Å; S1214-R1218 PolarHBondContact O-N 3.42Å |
| 1215 | V | 39 | Very low | 39.9 | Very low | 99 Ų | 99 | 130.9 Ų | 130.9 | 60% | 0.6 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -60.3 | -44.3 | 173 | 174.4 | 0 | 0 | 0 | 0 | 110.5 | K1211 R1217 R1218 S1219 | K1211-V1215 WeakPolarHBondContact O-CG2 3.37Å; K1211-V1215 PolarHBondContact O-N 3.32Å; V1215-R1217 VanDerWaalsContact C-N 3.34Å; V1215-R1217 PolarHBondContact O-N 3.4Å; V1215-R1218 PolarHBondContact O-N 3.36Å; V1215-R1218 VanDerWaalsContact O-N 3.13Å; V1215-S1219 VanDerWaalsContact O-CB 3.25Å; V1215-S1219 WeakPolarHBondContact O-CB 3.33Å; V1215-S1219 PolarHBondContact O-N 2.21Å |
| 1216 | A | 35.3 | Very low | 38 | Very low | 40 Ų | 40 | 135.4 Ų | 135.4 | 33% | 0.331 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -61.8 | -38.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | K1212 S1214 R1220 | K1212-A1216 WeakPolarHBondContact O-CB 3.3Å; K1212-A1216 PolarHBondContact O-N 2.94Å; S1214-A1216 PolarHBondContact O-N 2.65Å; A1216-R1220 VanDerWaalsContact O-CB 3.3Å; A1216-R1220 WeakPolarHBondContact O-CB 3.4Å; A1216-R1220 WeakPolarHBondContact O-CG 3.22Å; A1216-R1220 PolarHBondContact O-N 2.91Å |
| 1217 | R | 35.4 | Very low | 37 | Very low | 208 Ų | 208 | 131.1 Ų | 131.1 | 79% | 0.785 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -69.7 | -29.7 | 173.5 | -79.7 | 173.9 | 174.3 | 165.5 | -0.5 | 113.2 | C1213 S1214 V1215 | C1213-R1217 WeakPolarHBondContact O-CB 3.32Å; C1213-R1217 VanDerWaalsContact O-CG 3.27Å; C1213-R1217 WeakPolarHBondContact O-CG 3.49Å; C1213-R1217 PolarHBondContact O-N 3.28Å; S1214-R1217 PolarHBondContact O-N 2.66Å; V1215-R1217 VanDerWaalsContact C-N 3.34Å; V1215-R1217 PolarHBondContact O-N 3.4Å |
| 1218 | R | 29.5 | Very low | 35.3 | Very low | 223 Ų | 223 | 136.2 Ų | 136.2 | 84% | 0.842 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -79.7 | -35.1 | 176 | -142.6 | 173.5 | -167.6 | 175 | 3.6 | 112.1 | S1214 V1215 | S1214-R1218 PolarHBondContact O-N 3.42Å; V1215-R1218 PolarHBondContact O-N 3.36Å; V1215-R1218 VanDerWaalsContact O-N 3.13Å |
| 1219 | S | 29.1 | Very low | 33.4 | Very low | 75 Ų | 75 | 138.3 Ų | 138.3 | 52% | 0.524 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -73 | -48.4 | 176.6 | 169.2 | 0 | 0 | 0 | 0 | 112.6 | V1215 R1221 F1222 | V1215-S1219 VanDerWaalsContact O-CB 3.25Å; V1215-S1219 WeakPolarHBondContact O-CB 3.33Å; V1215-S1219 PolarHBondContact O-N 2.21Å; S1219-R1221 PolarHBondContact O-N 3.33Å; S1219-F1222 PolarHBondContact O-N 3.09Å |
| 1220 | R | 26.1 | Very low | 31.4 | Very low | 216 Ų | 216 | 138 Ų | 138 | 82% | 0.815 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | 37.4 | -176.4 | -64.4 | -174 | 177.7 | -155.1 | -1.4 | 114.7 | A1216 | A1216-R1220 VanDerWaalsContact O-CB 3.3Å; A1216-R1220 WeakPolarHBondContact O-CB 3.4Å; A1216-R1220 WeakPolarHBondContact O-CG 3.22Å; A1216-R1220 PolarHBondContact O-N 2.91Å |
| 1221 | R | 25.2 | Very low | 30.1 | Very low | 224 Ų | 224 | 136.7 Ų | 136.7 | 85% | 0.845 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.6 | -4.1 | 154.8 | -86.6 | -171.2 | 173.1 | 175.6 | -0.8 | 113.2 | S1219 | S1219-R1221 PolarHBondContact O-N 3.33Š|
| 1222 | F | 23.5 | Very low | 28.7 | Very low | 175 Ų | 175 | 139.3 Ų | 139.3 | 77% | 0.768 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -117.2 | 147.6 | 169.4 | -72.9 | -82.4 | 0 | 0 | 0 | 111.1 | S1219 | S1219-F1222 PolarHBondContact O-N 3.09Š|
| 1223 | L | 24.7 | Very low | 27 | Very low | 161 Ų | 161 | 139.2 Ų | 139.2 | 84% | 0.843 | 71% | 0.712 | S | S | * | * | trans | 65.3 | 75.2 | 175.4 | -54.7 | 178.7 | 0 | 0 | 0 | 116.8 | ||||
| 1224 | N | 20.8 | Very low | 26.4 | Very low | 157 Ų | 157 | 142.4 Ų | 142.4 | 84% | 0.84 | 73% | 0.725 | S | S | * | * | -90.7 | 165.6 | 119.2 | -85.7 | -2 | 0 | 0 | 0 | 108.3 | |||||
| 1225 | I | 23.2 | Very low | 25.7 | Very low | 157 Ų | 157 | 146.7 Ų | 146.7 | 81% | 0.805 | 74% | 0.737 | S | S | * | * | trans | 106.6 | 142.4 | 177.7 | -60.1 | 161 | 0 | 0 | 0 | 112.9 | ||||
| 1226 | T | 24.7 | Very low | 24.9 | Very low | 137 Ų | 137 | 148.6 Ų | 148.6 | 84% | 0.84 | 74% | 0.744 | S | S | * | * | trans | 65.8 | 114.9 | -163.2 | 66 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1227 | G | 23.3 | Very low | 24.3 | Very low | 68 Ų | 68 | 151.2 Ų | 151.2 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | cis | 112.4 | 151.7 | -10 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1228 | D | 24.3 | Very low | 23.6 | Very low | 157 Ų | 157 | 147.6 Ų | 147.6 | 84% | 0.84 | 76% | 0.761 | S | S | * | * | trans | 78.7 | 120.3 | 170.4 | -54 | -17.3 | 0 | 0 | 0 | 119.5 | ||||
| 1229 | D | 23.1 | Very low | 23.3 | Very low | 143 Ų | 143 | 141.1 Ų | 141.1 | 77% | 0.765 | 75% | 0.75 | S | S | * | * | trans | 83.2 | 126.6 | 141.4 | -79.4 | -38.3 | 0 | 0 | 0 | 124.6 | ||||
| 1230 | C | 21 | Very low | 22.9 | Very low | 98 Ų | 98 | 149 Ų | 149 | 66% | 0.662 | 77% | 0.768 | S | S | * | * | trans | 43.2 | 119 | 130.3 | -61.4 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1231 | S | 21.9 | Very low | 22.6 | Very low | 108 Ų | 108 | 144 Ų | 144 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | 51.8 | 132 | 65.3 | 104.9 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 1232 | R | 20.9 | Very low | 22.4 | Very low | 213 Ų | 213 | 136.9 Ų | 136.9 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | cis | -177.9 | 158.3 | 24.9 | -177.2 | -158.8 | 168.3 | 134.8 | -5.8 | 107.4 | ||||
| 1233 | I | 22.2 | Very low | 22.3 | Very low | 129 Ų | 129 | 135 Ų | 135 | 66% | 0.662 | 75% | 0.746 | S | S | * | * | trans | 65.5 | 143.2 | 177.6 | -17.1 | 162.9 | 0 | 0 | 0 | 108.9 | ||||
| 1234 | D | 24.2 | Very low | 22.6 | Very low | 129 Ų | 129 | 132.4 Ų | 132.4 | 69% | 0.69 | 73% | 0.732 | S | S | * | * | cis | -132.4 | 157.5 | 35.7 | -56.3 | -46.9 | 0 | 0 | 0 | 111.5 | ||||
| 1235 | E | 22.5 | Very low | 22.7 | Very low | 164 Ų | 164 | 127 Ų | 127 | 77% | 0.766 | 71% | 0.706 | S | S | * | * | 48.9 | 124.1 | 99.5 | -45.3 | -176.7 | 167.5 | 0 | 0 | 113.6 | |||||
| 1236 | D | 22.5 | Very low | 22.6 | Very low | 139 Ų | 139 | 126.9 Ų | 126.9 | 74% | 0.743 | 70% | 0.701 | S | S | * | * | cis | -148.6 | 159.1 | 15.3 | -130.1 | -20.2 | 0 | 0 | 0 | 115.2 | ||||
| 1237 | S | 21.3 | Very low | 22.5 | Very low | 95 Ų | 95 | 125.2 Ų | 125.2 | 66% | 0.664 | 70% | 0.695 | S | S | * | * | trans | -69.4 | 139.8 | 166.3 | 49.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1238 | T | 22.3 | Very low | 22.5 | Very low | 132 Ų | 132 | 126.6 Ų | 126.6 | 81% | 0.81 | 69% | 0.694 | S | S | * | * | trans | -167.5 | 140.1 | 147.1 | 4.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1239 | S | 21.4 | Very low | 22.4 | Very low | 86 Ų | 86 | 125.4 Ų | 125.4 | 60% | 0.601 | 69% | 0.688 | S | S | * | * | trans | 32.1 | 96.2 | 149.6 | 60.9 | 0 | 0 | 0 | 0 | 119.7 | D1241 | S1239-D1241 WeakPolarHBondContact CB-OD2 3.45Š| ||
| 1240 | R | 22.1 | Very low | 22.3 | Very low | 241 Ų | 241 | 126 Ų | 126 | 91% | 0.909 | 69% | 0.686 | S | S | * | * | -161.1 | 108.4 | 115.1 | -101.3 | 162 | -177.7 | 173.4 | -0.7 | 107.7 | |||||
| 1241 | D | 19.8 | Very low | 22.4 | Very low | 112 Ų | 112 | 126 Ų | 126 | 60% | 0.599 | 69% | 0.687 | S | S | * | * | 71.7 | 126 | 52.3 | -49.9 | -45.6 | 0 | 0 | 0 | 112.7 | S1239 | S1239-D1241 WeakPolarHBondContact CB-OD2 3.45Š| |||
| 1242 | T | 21.3 | Very low | 22.3 | Very low | 73 Ų | 73 | 128.1 Ų | 128.1 | 45% | 0.448 | 69% | 0.685 | S | S | . | * | trans | 52.6 | 109 | 156.7 | 61.2 | 0 | 0 | 0 | 0 | 119.3 | E1146 | E1146-T1242 HydrophobicContact CG-CG2 3.87Š| ||
| 1243 | C | 20.1 | Very low | 22.3 | Very low | 135 Ų | 135 | 122 Ų | 122 | 91% | 0.912 | 67% | 0.674 | S | S | * | * | trans | -175.3 | 52.7 | 141.7 | -110.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1244 | I | 31.3 | Very low | 22.3 | Very low | 108 Ų | 108 | 121.6 Ų | 121.6 | 55% | 0.554 | 68% | 0.678 | S | S | * | * | trans | -143 | 132.4 | 150 | -47 | 178.4 | 0 | 0 | 0 | 103.1 | E1146 D1147 | E1146-I1244 CarbonylContact C-O 3.52Å; E1146-I1244 WeakPolarHBondContact CA-O 3.45Å; D1147-I1244 PolarHBondContact N-O 2.87Å; D1147-I1244 VanDerWaalsContact N-O 3.1Å; D1147-I1244 WeakPolarHBondContact OD1-CG2 3.35Å | ||
| 1245 | P | 23.3 | Very low | 22.1 | Very low | 44 Ų | 44 | 123 Ų | 123 | 29% | 0.286 | 68% | 0.681 | S | S | . | * | cis | -144.9 | -136.8 | 44.8 | 47.1 | -25.6 | 0 | 0 | 0 | 112.8 | N1145 D1147 | N1145-P1245 WeakPolarHBondContact O-CD 3.28Å; D1147-P1245 VanDerWaalsContact CA-CG 3.5Å | ||
| 1246 | E | 21.1 | Very low | 22.1 | Very low | 154 Ų | 154 | 119.4 Ų | 119.4 | 72% | 0.72 | 68% | 0.679 | S | S | * | * | trans | 39.7 | 123.6 | 152.3 | -71.1 | -179.5 | -136 | 0 | 0 | 119.4 | ||||
| 1247 | S | 22.9 | Very low | 22.2 | Very low | 101 Ų | 101 | 120.1 Ų | 120.1 | 71% | 0.706 | 68% | 0.681 | S | S | * | * | cis | -163.1 | -175.8 | 12.5 | 57.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1248 | S | 23 | Very low | 22.2 | Very low | 98 Ų | 98 | 122.3 Ų | 122.3 | 69% | 0.685 | 69% | 0.69 | S | S | * | * | trans | 75.4 | 139.6 | 168.3 | 84.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1249 | N | 22.2 | Very low | 22.3 | Very low | 132 Ų | 132 | 121.8 Ų | 121.8 | 71% | 0.706 | 69% | 0.693 | S | S | * | * | cis | -153.9 | 166.8 | -15.4 | -113.8 | -15.7 | 0 | 0 | 0 | 111.7 | ||||
| 1250 | H | 21.8 | Very low | 22.4 | Very low | 155 Ų | 155 | 121 Ų | 121 | 72% | 0.718 | 70% | 0.698 | S | S | * | * | trans | -15.3 | 148.7 | 165 | -48.1 | -69.1 | 0 | 0 | 0 | 118 | ||||
| 1251 | S | 21.6 | Very low | 22.4 | Very low | 99 Ų | 99 | 118.3 Ų | 118.3 | 69% | 0.692 | 70% | 0.695 | S | S | * | * | cis | -159 | 147.4 | 18.8 | 5.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1252 | Q | 20.2 | Very low | 22.7 | Very low | 152 Ų | 152 | 119.7 Ų | 119.7 | 71% | 0.71 | 70% | 0.701 | S | S | * | * | 46.1 | 131 | 92.5 | -69.2 | 171.8 | -25.4 | 0 | 0 | 114.3 | |||||
| 1253 | S | 20.3 | Very low | 22.8 | Very low | 83 Ų | 83 | 123.5 Ų | 123.5 | 58% | 0.58 | 72% | 0.719 | S | S | * | * | cis | -162.1 | 148.6 | 9.2 | 52 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1254 | T | 22.7 | Very low | 22.9 | Very low | 121 Ų | 121 | 123.8 Ų | 123.8 | 74% | 0.742 | 72% | 0.717 | S | S | * | * | trans | 54.5 | 156.6 | 141.5 | 59 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1255 | E | 21.1 | Very low | 22.6 | Very low | 160 Ų | 160 | 123 Ų | 123 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | cis | -136.6 | 179.7 | 24.6 | -71.3 | 177.7 | 161.8 | 0 | 0 | 114.7 | ||||
| 1256 | A | 22.6 | Very low | 23.1 | Very low | 87 Ų | 87 | 124.8 Ų | 124.8 | 72% | 0.719 | 74% | 0.735 | S | S | * | * | trans | -29.1 | 137.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 1257 | I | 23.9 | Very low | 23.3 | Very low | 155 Ų | 155 | 128.2 Ų | 128.2 | 80% | 0.795 | 74% | 0.741 | S | S | * | * | cis | 69.1 | 102.8 | 50 | -55.3 | 171.1 | 0 | 0 | 0 | 114 | ||||
| 1258 | T | 21.1 | Very low | 23.5 | Very low | 140 Ų | 140 | 132.2 Ų | 132.2 | 86% | 0.859 | 74% | 0.74 | S | S | * | * | -166.1 | 141.4 | 123.6 | 10 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 1259 | S | 24.4 | Very low | 24 | Very low | 122 Ų | 122 | 131.3 Ų | 131.3 | 85% | 0.853 | 73% | 0.725 | S | S | * | * | trans | -83.9 | 156.2 | 166.2 | 49.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1260 | G | 24.5 | Very low | 24.7 | Very low | 70 Ų | 70 | 134 Ų | 134 | 72% | 0.722 | 73% | 0.725 | S | S | * | * | cis | 158.8 | -179.9 | 1.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1261 | H | 21.2 | Very low | 25.2 | Very low | 183 Ų | 183 | 132.1 Ų | 132.1 | 85% | 0.847 | 72% | 0.72 | S | S | * | * | trans | -151.2 | 158.9 | 161.6 | -153.4 | -87.4 | 0 | 0 | 0 | 112.1 | ||||
| 1262 | I | 25.9 | Very low | 25.7 | Very low | 141 Ų | 141 | 133 Ų | 133 | 72% | 0.723 | 71% | 0.712 | S | S | * | * | trans | -105.8 | 144.3 | -168.1 | -67.7 | 165.7 | 0 | 0 | 0 | 111.9 | ||||
| 1263 | D | 23.1 | Very low | 26.4 | Very low | 154 Ų | 154 | 133 Ų | 133 | 82% | 0.824 | 71% | 0.705 | S | S | * | * | trans | -78.2 | 124.8 | 173.8 | -92.2 | -49.6 | 0 | 0 | 0 | 113.3 | ||||
| 1264 | T | 22.7 | Very low | 27.1 | Very low | 140 Ų | 140 | 138.6 Ų | 138.6 | 86% | 0.859 | 71% | 0.713 | S | S | * | * | trans | -101.5 | 77.4 | 179.5 | 56.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1265 | S | 26 | Very low | 27.5 | Very low | 92 Ų | 92 | 137.6 Ų | 137.6 | 64% | 0.643 | 70% | 0.703 | S | S | * | * | trans | -115.7 | -18.8 | -172.9 | 62.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1266 | S | 32.6 | Very low | 28.2 | Very low | 82 Ų | 82 | 134.3 Ų | 134.3 | 57% | 0.573 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -86.5 | -15.8 | -163.1 | 66.3 | 0 | 0 | 0 | 0 | 117 | ||
| 1267 | R | 25.3 | Very low | 28.6 | Very low | 225 Ų | 225 | 139.4 Ų | 139.4 | 85% | 0.849 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -73.2 | -36.7 | -177.3 | -168.3 | 168.9 | 178.8 | 151.8 | -2.3 | 113 | E1269 R1270 L1271 | R1267-E1269 VanDerWaalsContact C-N 3.29Å; R1267-E1269 PolarHBondContact O-N 2.88Å; R1267-R1270 PolarHBondContact O-N 2.71Å; R1267-L1271 PolarHBondContact O-N 3.39Å |
| 1268 | R | 27.6 | Very low | 28.8 | Very low | 185 Ų | 185 | 135.3 Ų | 135.3 | 70% | 0.698 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -62.6 | -35.6 | 180 | -163.4 | 175.7 | -171.5 | -175.3 | 2.1 | 112.2 | L1271 K1272 | R1268-L1271 PolarHBondContact O-N 3.25Å; R1268-K1272 PolarHBondContact O-N 3.46Å; R1268-K1272 VanDerWaalsContact O-N 3.16Å |
| 1269 | E | 33.8 | Very low | 29.2 | Very low | 80 Ų | 80 | 134.1 Ų | 134.1 | 37% | 0.374 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -74.2 | -34.4 | -178.5 | -174.1 | 59.5 | -166.4 | 0 | 0 | 112.8 | R1267 L1271 R1273 | R1267-E1269 VanDerWaalsContact C-N 3.29Å; R1267-E1269 PolarHBondContact O-N 2.88Å; E1269-L1271 VanDerWaalsContact C-N 3.35Å; E1269-R1273 VanDerWaalsContact O-CG 3.32Å; E1269-R1273 WeakPolarHBondContact O-CG 3.45Å; E1269-R1273 PolarHBondContact O-N 3.13Å; E1269-R1273 VanDerWaalsContact O-N 3.15Å; E1269-R1273 IonicContact OE1-CZ 2.76Å; E1269-R1273 IonicContact OE1-NE 3.61Å; E1269-R1273 PolarHBondContact OE1-NE 2.9Å; E1269-R1273 IonicContact OE1-NH2 3.38Å; E1269-R1273 PolarHBondContact OE1-NH2 2.81Å |
| 1270 | R | 36.7 | Very low | 29.4 | Very low | 187 Ų | 187 | 132.7 Ų | 132.7 | 71% | 0.706 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -64.5 | -37.4 | 170.7 | -88.3 | -176.5 | 163.3 | 91.8 | -6.3 | 112.3 | R1267 R1273 R1274 | R1267-R1270 PolarHBondContact O-N 2.71Å; R1270-R1273 PolarHBondContact O-N 3.27Å; R1270-R1274 PolarHBondContact O-N 3.3Å |
| 1271 | L | 31.5 | Very low | 29.6 | Very low | 116 Ų | 116 | 138.4 Ų | 138.4 | 61% | 0.607 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -67.9 | -46.9 | 178.2 | -154.5 | 82.1 | 0 | 0 | 0 | 111.5 | R1267 R1268 E1269 R1273 R1274 L1275 | R1267-L1271 PolarHBondContact O-N 3.39Å; R1268-L1271 PolarHBondContact O-N 3.25Å; E1269-L1271 VanDerWaalsContact C-N 3.35Å; L1271-R1273 VanDerWaalsContact C-N 3.28Å; L1271-R1273 PolarHBondContact O-N 3.49Å; L1271-R1274 PolarHBondContact O-N 2.79Å; L1271-R1274 VanDerWaalsContact O-N 3.12Å; L1271-L1275 PolarHBondContact O-N 2.98Å; L1271-L1275 VanDerWaalsContact O-N 3.11Å |
| 1272 | K | 31.5 | Very low | 29.9 | Very low | 119 Ų | 119 | 132.1 Ų | 132.1 | 52% | 0.517 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -51.3 | -46.6 | 172.2 | -82.8 | -170 | 169.7 | -170.3 | 0 | 112 | R1268 R1274 L1275 I1276 | R1268-K1272 PolarHBondContact O-N 3.46Å; R1268-K1272 VanDerWaalsContact O-N 3.16Å; K1272-R1274 VanDerWaalsContact C-N 3.31Å; K1272-R1274 PolarHBondContact O-N 2.77Å; K1272-L1275 PolarHBondContact O-N 2.99Å; K1272-I1276 VanDerWaalsContact O-CG1 3.31Å; K1272-I1276 WeakPolarHBondContact O-CG1 3.32Å; K1272-I1276 PolarHBondContact O-N 2.74Å |
| 1273 | R | 35.7 | Very low | 30 | Very low | 151 Ų | 151 | 130.1 Ų | 130.1 | 57% | 0.57 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -70.8 | -18.9 | -177.9 | -67.9 | 174.9 | -168.6 | -164.5 | 4.2 | 114.6 | E1269 R1270 L1271 | E1269-R1273 VanDerWaalsContact O-CG 3.32Å; E1269-R1273 WeakPolarHBondContact O-CG 3.45Å; E1269-R1273 PolarHBondContact O-N 3.13Å; E1269-R1273 VanDerWaalsContact O-N 3.15Å; E1269-R1273 IonicContact OE1-CZ 2.76Å; E1269-R1273 IonicContact OE1-NE 3.61Å; E1269-R1273 PolarHBondContact OE1-NE 2.9Å; E1269-R1273 IonicContact OE1-NH2 3.38Å; E1269-R1273 PolarHBondContact OE1-NH2 2.81Å; R1270-R1273 PolarHBondContact O-N 3.27Å; L1271-R1273 VanDerWaalsContact C-N 3.28Å; L1271-R1273 PolarHBondContact O-N 3.49Å |
| 1274 | R | 35.1 | Very low | 30.2 | Very low | 200 Ų | 200 | 128.7 Ų | 128.7 | 76% | 0.755 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -78 | -46.1 | 166.5 | -74.8 | -176.4 | 76.7 | 159.3 | -0.1 | 111.1 | R1270 L1271 K1272 I1276 R1277 S1278 | R1270-R1274 PolarHBondContact O-N 3.3Å; L1271-R1274 PolarHBondContact O-N 2.79Å; L1271-R1274 VanDerWaalsContact O-N 3.12Å; K1272-R1274 VanDerWaalsContact C-N 3.31Å; K1272-R1274 PolarHBondContact O-N 2.77Å; R1274-I1276 PolarHBondContact O-N 2.9Å; R1274-R1277 PolarHBondContact O-N 2.97Å; R1274-S1278 PolarHBondContact O-N 2.78Å; R1274-S1278 PolarHBondContact O-OG 3.41Å |
| 1275 | L | 31.8 | Very low | 30.3 | Very low | 101 Ų | 101 | 126.5 Ų | 126.5 | 53% | 0.529 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -62.4 | -39.6 | -179.8 | -73.3 | 167.3 | 0 | 0 | 0 | 113.4 | L1271 K1272 S1278 L1279 | L1271-L1275 PolarHBondContact O-N 2.98Å; L1271-L1275 VanDerWaalsContact O-N 3.11Å; K1272-L1275 PolarHBondContact O-N 2.99Å; L1275-S1278 WeakPolarHBondContact CA-OG 3.33Å; L1275-S1278 PolarHBondContact O-N 3.44Å; L1275-S1278 PolarHBondContact O-OG 3.07Å; L1275-L1279 PolarHBondContact O-N 3.43Å |
| 1276 | I | 35.3 | Very low | 30.3 | Very low | 90 Ų | 90 | 129 Ų | 129 | 46% | 0.462 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -59.8 | -49.5 | 173.4 | -69.2 | 163.1 | 0 | 0 | 0 | 109.9 | K1272 R1274 S1278 L1279 D1280 | K1272-I1276 VanDerWaalsContact O-CG1 3.31Å; K1272-I1276 WeakPolarHBondContact O-CG1 3.32Å; K1272-I1276 PolarHBondContact O-N 2.74Å; R1274-I1276 PolarHBondContact O-N 2.9Å; I1276-S1278 VanDerWaalsContact C-N 3.34Å; I1276-S1278 PolarHBondContact O-N 2.81Å; I1276-L1279 PolarHBondContact O-N 2.82Å; I1276-L1279 VanDerWaalsContact O-N 3.09Å; I1276-D1280 WeakPolarHBondContact CG2-OD2 3.13Å; I1276-D1280 VanDerWaalsContact O-CG 3.25Å; I1276-D1280 PolarHBondContact O-N 3.22Å |
| 1277 | R | 30.3 | Very low | 30 | Very low | 194 Ų | 194 | 129.3 Ų | 129.3 | 73% | 0.732 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -64.7 | -31.3 | -179.4 | -77.5 | -178.7 | 171.5 | 178.9 | -3.8 | 114.5 | R1274 Y1281 | R1274-R1277 PolarHBondContact O-N 2.97Å; R1277-Y1281 WeakPolarHBondContact O-CB 3.48Å; R1277-Y1281 PolarHBondContact O-N 3.43Å; R1277-Y1281 VanDerWaalsContact O-N 3.11Å |
| 1278 | S | 29.2 | Very low | 29.9 | Very low | 69 Ų | 69 | 125.1 Ų | 125.1 | 48% | 0.483 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -69.5 | -34.9 | 172.8 | 44.2 | 0 | 0 | 0 | 0 | 112.6 | R1274 L1275 I1276 A1282 | R1274-S1278 PolarHBondContact O-N 2.78Å; R1274-S1278 PolarHBondContact O-OG 3.41Å; L1275-S1278 WeakPolarHBondContact CA-OG 3.33Å; L1275-S1278 PolarHBondContact O-N 3.44Å; L1275-S1278 PolarHBondContact O-OG 3.07Å; I1276-S1278 VanDerWaalsContact C-N 3.34Å; I1276-S1278 PolarHBondContact O-N 2.81Å; S1278-A1282 PolarHBondContact O-N 2.82Å; S1278-A1282 VanDerWaalsContact O-N 3.17Å |
| 1279 | L | 28.9 | Very low | 29.7 | Very low | 116 Ų | 116 | 119.6 Ų | 119.6 | 61% | 0.607 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -72.5 | -44.6 | 174.9 | -75.2 | 165.7 | 0 | 0 | 0 | 111.5 | L1275 I1276 Y1281 A1282 V1283 | L1275-L1279 PolarHBondContact O-N 3.43Å; I1276-L1279 PolarHBondContact O-N 2.82Å; I1276-L1279 VanDerWaalsContact O-N 3.09Å; L1279-Y1281 PolarHBondContact O-N 3.14Å; L1279-A1282 PolarHBondContact O-N 2.52Å; L1279-V1283 WeakPolarHBondContact O-CG2 3.47Å; L1279-V1283 PolarHBondContact O-N 2.58Å |
| 1280 | D | 28 | Very low | 29.3 | Very low | 91 Ų | 91 | 123.3 Ų | 123.3 | 49% | 0.487 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -56 | -41.1 | 175.3 | -64.4 | -26.9 | 0 | 0 | 0 | 111.2 | I1276 M1284 | I1276-D1280 WeakPolarHBondContact CG2-OD2 3.13Å; I1276-D1280 VanDerWaalsContact O-CG 3.25Å; I1276-D1280 PolarHBondContact O-N 3.22Å; D1280-M1284 VanDerWaalsContact O-CB 3.27Å; D1280-M1284 WeakPolarHBondContact O-CB 3.29Å; D1280-M1284 WeakPolarHBondContact O-CG 3.26Å; D1280-M1284 PolarHBondContact O-N 3.02Å |
| 1281 | Y | 28.9 | Very low | 28.6 | Very low | 191 Ų | 191 | 125 Ų | 125 | 75% | 0.749 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -67.8 | -45 | 178.3 | -158 | -93.9 | 0 | 0 | 0 | 112.3 | R1277 L1279 V1283 M1284 S1285 | R1277-Y1281 WeakPolarHBondContact O-CB 3.48Å; R1277-Y1281 PolarHBondContact O-N 3.43Å; R1277-Y1281 VanDerWaalsContact O-N 3.11Å; L1279-Y1281 PolarHBondContact O-N 3.14Å; Y1281-V1283 PolarHBondContact O-N 3.2Å; Y1281-M1284 PolarHBondContact O-N 2.55Å; Y1281-S1285 WeakPolarHBondContact O-CB 3.2Å; Y1281-S1285 PolarHBondContact O-N 2.96Å; Y1281-S1285 VanDerWaalsContact O-N 3.08Å |
| 1282 | A | 27.6 | Very low | 28.1 | Very low | 51 Ų | 51 | 125.5 Ų | 125.5 | 42% | 0.421 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -62 | -42.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S1278 L1279 S1285 | S1278-A1282 PolarHBondContact O-N 2.82Å; S1278-A1282 VanDerWaalsContact O-N 3.17Å; L1279-A1282 PolarHBondContact O-N 2.52Å; A1282-S1285 PolarHBondContact O-N 3.22Å |
| 1283 | V | 29 | Very low | 27.7 | Very low | 98 Ų | 98 | 126.3 Ų | 126.3 | 59% | 0.594 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -73.9 | -36.3 | -179.5 | 176.9 | 0 | 0 | 0 | 0 | 112 | L1279 Y1281 S1285 | L1279-V1283 WeakPolarHBondContact O-CG2 3.47Å; L1279-V1283 PolarHBondContact O-N 2.58Å; Y1281-V1283 PolarHBondContact O-N 3.2Å; V1283-S1285 VanDerWaalsContact C-N 3.31Å; V1283-S1285 PolarHBondContact O-N 2.85Å |
| 1284 | M | 26.7 | Very low | 26.9 | Very low | 125 Ų | 125 | 124.9 Ų | 124.9 | 62% | 0.616 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -66.7 | -31.2 | 174.5 | -75.1 | -95.8 | 61.7 | 0 | 0 | 112.9 | D1280 Y1281 I1286 | D1280-M1284 VanDerWaalsContact O-CB 3.27Å; D1280-M1284 WeakPolarHBondContact O-CB 3.29Å; D1280-M1284 WeakPolarHBondContact O-CG 3.26Å; D1280-M1284 PolarHBondContact O-N 3.02Å; Y1281-M1284 PolarHBondContact O-N 2.55Å; M1284-I1286 VanDerWaalsContact C-N 3.3Å; M1284-I1286 PolarHBondContact O-N 3.23Å |
| 1285 | S | 24.2 | Very low | 26.3 | Very low | 94 Ų | 94 | 126.8 Ų | 126.8 | 66% | 0.657 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -64.7 | -27.5 | -178.6 | -169.1 | 0 | 0 | 0 | 0 | 114.4 | Y1281 A1282 V1283 | Y1281-S1285 WeakPolarHBondContact O-CB 3.2Å; Y1281-S1285 PolarHBondContact O-N 2.96Å; Y1281-S1285 VanDerWaalsContact O-N 3.08Å; A1282-S1285 PolarHBondContact O-N 3.22Å; V1283-S1285 VanDerWaalsContact C-N 3.31Å; V1283-S1285 PolarHBondContact O-N 2.85Å |
| 1286 | I | 26.5 | Very low | 26.1 | Very low | 145 Ų | 145 | 127.2 Ų | 127.2 | 74% | 0.744 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -89.6 | -25.8 | -168 | -65.8 | 172.3 | 0 | 0 | 0 | 112.7 | M1284 | M1284-I1286 VanDerWaalsContact C-N 3.3Å; M1284-I1286 PolarHBondContact O-N 3.23Å |
| 1287 | T | 26.3 | Very low | 25.5 | Very low | 87 Ų | 87 | 127.4 Ų | 127.4 | 53% | 0.534 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -103.7 | -14.9 | -158.8 | 52.1 | 0 | 0 | 0 | 0 | 116.7 | ||
| 1288 | N | 24.2 | Very low | 25.2 | Very low | 137 Ų | 137 | 126.2 Ų | 126.2 | 73% | 0.733 | 69% | 0.691 | S | S | * | * | trans | -144.3 | 69.9 | -178.3 | -76.2 | -81.4 | 0 | 0 | 0 | 113.5 | ||||
| 1289 | G | 23.8 | Very low | 24.8 | Very low | 69 Ų | 69 | 129.2 Ų | 129.2 | 71% | 0.711 | 71% | 0.707 | S | S | * | * | trans | -67.6 | 157.1 | 164.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1290 | I | 24.9 | Very low | 24.4 | Very low | 159 Ų | 159 | 134.3 Ų | 134.3 | 82% | 0.815 | 72% | 0.718 | S | S | * | * | S | Bend | trans | 69.6 | 64.5 | 171.5 | -37 | 173.9 | 0 | 0 | 0 | 115.6 | ||
| 1291 | R | 21.4 | Very low | 24.2 | Very low | 223 Ų | 223 | 135.2 Ų | 135.2 | 84% | 0.842 | 72% | 0.721 | S | S | * | * | S | Bend | 179.4 | 121.5 | 122.3 | -94 | 150.2 | -161.2 | -132.7 | 1.1 | 114.3 | |||
| 1292 | T | 21.5 | Very low | 24 | Very low | 125 Ų | 125 | 131.4 Ų | 131.4 | 77% | 0.767 | 72% | 0.72 | S | S | * | * | trans | 54.6 | 93.2 | 153.8 | 56.9 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1293 | C | 22.3 | Very low | 23.7 | Very low | 136 Ų | 136 | 134.1 Ų | 134.1 | 92% | 0.919 | 73% | 0.727 | S | S | * | * | trans | -143.5 | 59.7 | 154.3 | -93.6 | 0 | 0 | 0 | 0 | 112.1 | R1295 | C1293-R1295 PolarHBondContact O-N 3.43Š| ||
| 1294 | S | 19.8 | Very low | 23.4 | Very low | 122 Ų | 122 | 135.9 Ų | 135.9 | 85% | 0.853 | 73% | 0.733 | S | S | * | * | trans | -76 | 83.4 | 177.4 | 43.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1295 | R | 21.6 | Very low | 23.1 | Very low | 240 Ų | 240 | 135.7 Ų | 135.7 | 91% | 0.906 | 74% | 0.743 | S | S | * | * | trans | -156.7 | 86 | 171.9 | -145.7 | 168.1 | -169.9 | 159.5 | 2.9 | 116.6 | C1293 | C1293-R1295 PolarHBondContact O-N 3.43Š| ||
| 1296 | L | 27.7 | Very low | 23.1 | Very low | 109 Ų | 109 | 141.7 Ų | 141.7 | 57% | 0.571 | 75% | 0.752 | S | S | * | * | trans | -63.9 | 167.2 | 146.5 | -77.8 | 168.1 | 0 | 0 | 0 | 110.2 | ||||
| 1297 | P | 23.9 | Very low | 22.8 | Very low | 95 Ų | 95 | 141.2 Ų | 141.2 | 62% | 0.617 | 75% | 0.751 | S | S | * | * | cis | -135.1 | 172.7 | 13.8 | 42.8 | -27.1 | 0 | 0 | 0 | 116.8 | T1299 | P1297-T1299 HydrophobicContact CB-CG2 4.16Š| ||
| 1298 | L | 23.1 | Very low | 22.6 | Very low | 168 Ų | 168 | 142.3 Ų | 142.3 | 88% | 0.88 | 76% | 0.762 | S | S | * | * | trans | -133.9 | 87 | 155.5 | -76.7 | 177.8 | 0 | 0 | 0 | 110 | R1300 | L1298-R1300 PolarHBondContact O-N 2.92Š| ||
| 1299 | T | 20.7 | Very low | 22.6 | Very low | 133 Ų | 133 | 140.8 Ų | 140.8 | 82% | 0.816 | 76% | 0.759 | S | S | * | * | trans | -78.1 | 33.4 | -173.5 | 45.9 | 0 | 0 | 0 | 0 | 115.1 | P1297 | P1297-T1299 HydrophobicContact CB-CG2 4.16Š| ||
| 1300 | R | 20.9 | Very low | 22.5 | Very low | 223 Ų | 223 | 146.7 Ų | 146.7 | 84% | 0.842 | 77% | 0.768 | S | S | * | * | trans | -149.8 | 114.4 | 171 | -67.7 | -168.1 | -178.9 | -177.6 | -0.7 | 110.7 | L1298 | L1298-R1300 PolarHBondContact O-N 2.92Š| ||
| 1301 | I | 24.3 | Very low | 22.4 | Very low | 110 Ų | 110 | 144.7 Ų | 144.7 | 56% | 0.564 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -80 | 155.1 | 160.3 | -69.2 | 175.9 | 0 | 0 | 0 | 107.1 | L1303 D1707 | I1301-L1303 PolarHBondContact O-N 3.19Å; I1301-D1707 HydrophobicContact CB-CB 4.32Å |
| 1302 | P | 23.9 | Very low | 22.4 | Very low | 110 Ų | 110 | 143.3 Ų | 143.3 | 71% | 0.714 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 133.9 | -178 | -20.1 | 34.1 | 0 | 0 | 0 | 111.3 | ||
| 1303 | L | 21.1 | Very low | 22.4 | Very low | 108 Ų | 108 | 140.3 Ų | 140.3 | 57% | 0.565 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -57.1 | 165.9 | 161.8 | -81.7 | 69.3 | 0 | 0 | 0 | 110.2 | I1301 | I1301-L1303 PolarHBondContact O-N 3.19Š|
| 1304 | D | 23.7 | Very low | 22.3 | Very low | 136 Ų | 136 | 143 Ų | 143 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | trans | 83.9 | 53.5 | 179.4 | -44.1 | -22.6 | 0 | 0 | 0 | 114.1 | Y1306 | D1304-Y1306 PolarHBondContact O-N 2.94Š| ||
| 1305 | C | 19.8 | Very low | 22.3 | Very low | 121 Ų | 121 | 146.3 Ų | 146.3 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -49 | 119.1 | 141.1 | -62.3 | 0 | 0 | 0 | 0 | 107.6 | L1307 | C1305-L1307 PolarHBondContact O-N 3.38Š| ||
| 1306 | Y | 23 | Very low | 22.3 | Very low | 219 Ų | 219 | 143.9 Ų | 143.9 | 86% | 0.859 | 76% | 0.764 | S | S | * | * | trans | -76.5 | 90.8 | -168.8 | -119.1 | -103.8 | 0 | 0 | 0 | 110.7 | D1304 S1308 | D1304-Y1306 PolarHBondContact O-N 2.94Å; Y1306-S1308 PolarHBondContact O-N 3.28Å | ||
| 1307 | L | 20.5 | Very low | 22 | Very low | 136 Ų | 136 | 147.9 Ų | 147.9 | 71% | 0.712 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 131.3 | 166.6 | -77.7 | 160.4 | 0 | 0 | 0 | 109.6 | C1305 | C1305-L1307 PolarHBondContact O-N 3.38Š|
| 1308 | S | 22 | Very low | 22 | Very low | 109 Ų | 109 | 150.9 Ų | 150.9 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -62 | 129.1 | 172.5 | -167.9 | 0 | 0 | 0 | 0 | 109 | Y1306 E1310 | Y1306-S1308 PolarHBondContact O-N 3.28Å; S1308-E1310 PolarHBondContact O-N 2.93Å |
| 1309 | P | 24.6 | Very low | 22 | Very low | 105 Ų | 105 | 149.3 Ų | 149.3 | 68% | 0.682 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 126.4 | -170.2 | 26.3 | -33.9 | 0 | 0 | 0 | 112.1 | C1311 | P1309-C1311 PolarHBondContact O-N 3.43Š|
| 1310 | E | 21.9 | Very low | 22.1 | Very low | 193 Ų | 193 | 152.5 Ų | 152.5 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 123.6 | 170.8 | -61.3 | 168.8 | 146.9 | 0 | 0 | 110.4 | S1308 | S1308-E1310 PolarHBondContact O-N 2.93Š|
| 1311 | C | 23.8 | Very low | 22.3 | Very low | 118 Ų | 118 | 149.2 Ų | 149.2 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | -135.8 | 52.1 | 177.2 | -82.6 | 0 | 0 | 0 | 0 | 110.7 | P1309 G1313 | P1309-C1311 PolarHBondContact O-N 3.43Å; C1311-G1313 PolarHBondContact O-N 3Å | ||
| 1312 | E | 20.4 | Very low | 22.1 | Very low | 194 Ų | 194 | 151.1 Ų | 151.1 | 91% | 0.907 | 79% | 0.79 | S | S | * | * | trans | -73 | 111 | 157.7 | -65.8 | -158.4 | 139.8 | 0 | 0 | 108 | ||||
| 1313 | G | 20.9 | Very low | 22 | Very low | 62 Ų | 62 | 156.1 Ų | 156.1 | 64% | 0.639 | 80% | 0.801 | S | S | * | * | trans | -160.8 | 49.8 | -159.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | C1311 | C1311-G1313 PolarHBondContact O-N 3Š| ||
| 1314 | H | 20.1 | Very low | 22 | Very low | 193 Ų | 193 | 157.3 Ų | 157.3 | 89% | 0.894 | 81% | 0.807 | S | S | * | * | trans | 60.3 | 137.3 | 164.1 | -68.7 | -78.6 | 0 | 0 | 0 | 120.1 | ||||
| 1315 | E | 19.6 | Very low | 21.9 | Very low | 190 Ų | 190 | 158.4 Ų | 158.4 | 89% | 0.888 | 81% | 0.812 | S | S | * | * | trans | -81.8 | 126.7 | 172.8 | -55.7 | 171.4 | 131.6 | 0 | 0 | 110.4 | ||||
| 1316 | E | 22.6 | Very low | 22 | Very low | 189 Ų | 189 | 157.8 Ų | 157.8 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | trans | -130.8 | 123.5 | 156.5 | -75.1 | -160.7 | 154.5 | 0 | 0 | 110 | L1318 | E1316-L1318 PolarHBondContact O-N 3.27Š| ||
| 1317 | E | 21.7 | Very low | 22 | Very low | 193 Ų | 193 | 154.2 Ų | 154.2 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | trans | -79.8 | 111.6 | -173.3 | -63.4 | -172.2 | 104.8 | 0 | 0 | 112.6 | ||||
| 1318 | L | 23.5 | Very low | 22.3 | Very low | 159 Ų | 159 | 153.4 Ų | 153.4 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | trans | -135 | 73.9 | 170.7 | -111.4 | 165.9 | 0 | 0 | 0 | 114.9 | E1316 | E1316-L1318 PolarHBondContact O-N 3.27Š| ||
| 1319 | N | 23.5 | Very low | 22.5 | Very low | 134 Ų | 134 | 154.7 Ų | 154.7 | 72% | 0.717 | 80% | 0.801 | S | S | * | * | trans | 51 | 93.9 | 147.4 | -73 | -53.4 | 0 | 0 | 0 | 119.4 | N1321 | N1319-N1321 PolarHBondContact O-N 3.08Š| ||
| 1320 | K | 22.2 | Very low | 22.8 | Very low | 200 Ų | 200 | 155.3 Ų | 155.3 | 87% | 0.87 | 80% | 0.802 | S | S | * | * | trans | -14.2 | 111.7 | 143.2 | -62 | 167.6 | -173.6 | 169.8 | 0 | 114.1 | ||||
| 1321 | N | 24.4 | Very low | 23.2 | Very low | 155 Ų | 155 | 153.2 Ų | 153.2 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | trans | -134.4 | 124.8 | 156.3 | -101.7 | -53.8 | 0 | 0 | 0 | 109.8 | N1319 | N1319-N1321 PolarHBondContact O-N 3.08Š| ||
| 1322 | H | 21.4 | Very low | 23.6 | Very low | 149 Ų | 149 | 155.5 Ų | 155.5 | 69% | 0.69 | 80% | 0.796 | S | S | * | * | trans | -74 | 128.4 | -164.5 | -65 | 79.7 | 0 | 0 | 0 | 112.6 | ||||
| 1323 | F | 21.2 | Very low | 24.3 | Very low | 215 Ų | 215 | 150.7 Ų | 150.7 | 94% | 0.943 | 77% | 0.77 | S | S | * | * | trans | -129.1 | 107.8 | 146 | -93.5 | -82.1 | 0 | 0 | 0 | 108.8 | ||||
| 1324 | I | 21.1 | Very low | 25.1 | Very low | 134 Ų | 134 | 153 Ų | 153 | 69% | 0.687 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 123.6 | -176.4 | -62.5 | 167.8 | 0 | 0 | 0 | 108.7 | ||
| 1325 | L | 21.6 | Very low | 25.9 | Very low | 159 Ų | 159 | 144.9 Ų | 144.9 | 83% | 0.832 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -101.4 | 151.2 | 138.9 | -100.1 | 96.5 | 0 | 0 | 0 | 108.5 | ||
| 1326 | P | 22.4 | Very low | 26.9 | Very low | 107 Ų | 107 | 137 Ų | 137 | 70% | 0.695 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 148.8 | -172.1 | -14 | 30.4 | 0 | 0 | 0 | 112.5 | T1328 | P1326-T1328 PolarHBondContact O-N 3.35Š|
| 1327 | N | 22.9 | Very low | 27.6 | Very low | 144 Ų | 144 | 136.2 Ų | 136.2 | 77% | 0.77 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 128.7 | 168.3 | -63.2 | 12.3 | 0 | 0 | 0 | 110.3 | ||
| 1328 | T | 26.7 | Very low | 28.4 | Very low | 119 Ų | 119 | 129 Ų | 129 | 73% | 0.73 | 66% | 0.657 | S | S | * | * | trans | -119.3 | 118.1 | 149.7 | 53.1 | 0 | 0 | 0 | 0 | 106 | P1326 V1330 | P1326-T1328 PolarHBondContact O-N 3.35Å; T1328-V1330 PolarHBondContact O-N 3.35Å | ||
| 1329 | D | 26.6 | Very low | 29 | Very low | 137 Ų | 137 | 126.2 Ų | 126.2 | 73% | 0.733 | 64% | 0.643 | S | S | * | * | trans | -65.8 | 103.2 | -171.9 | -54.2 | -60.9 | 0 | 0 | 0 | 110.4 | N1331 | D1329-N1331 PolarHBondContact O-N 3.48Š| ||
| 1330 | V | 29.9 | Very low | 29.8 | Very low | 117 Ų | 117 | 124.9 Ų | 124.9 | 71% | 0.709 | 63% | 0.628 | S | S | * | * | trans | -75.2 | 98.8 | 174 | -178.1 | 0 | 0 | 0 | 0 | 106.9 | T1328 H1332 | T1328-V1330 PolarHBondContact O-N 3.35Å; V1330-H1332 PolarHBondContact O-N 2.92Å; V1330-H1332 VanDerWaalsContact O-N 3.11Å; V1330-H1332 PolarHBondContact O-ND1 2.55Å | ||
| 1331 | N | 31.5 | Very low | 30.4 | Very low | 150 Ų | 150 | 116.9 Ų | 116.9 | 80% | 0.802 | 59% | 0.594 | S | S | * | * | trans | -46 | 121 | 174 | -68.6 | -47.1 | 0 | 0 | 0 | 109.2 | D1329 | D1329-N1331 PolarHBondContact O-N 3.48Š| ||
| 1332 | H | 31.4 | Very low | 31.1 | Very low | 166 Ų | 166 | 112.2 Ų | 112.2 | 77% | 0.769 | 57% | 0.574 | S | S | * | * | trans | -66.3 | 152.3 | 179.2 | -65 | 18.6 | 0 | 0 | 0 | 109.3 | V1330 | V1330-H1332 PolarHBondContact O-N 2.92Å; V1330-H1332 VanDerWaalsContact O-N 3.11Å; V1330-H1332 PolarHBondContact O-ND1 2.55Å | ||
| 1333 | W | 34.6 | Very low | 31.9 | Very low | 92 Ų | 92 | 110.1 Ų | 110.1 | 35% | 0.348 | 57% | 0.571 | S | S | . | * | trans | -118.3 | 110.7 | -173.1 | 169.7 | 60.3 | 0 | 0 | 0 | 109 | G1335 P1336 Y1337 F1338 | W1333-G1335 PolarHBondContact O-N 3.14Å; W1333-P1336 WeakPolarHBondContact CH2-O 3.26Å; W1333-P1336 WeakPolarHBondContact CZ2-O 3.27Å; W1333-Y1337 HydrophobicContact CZ3-CD2 4.2Å; W1333-F1338 AromaticContact CH2-CD2 3.97Å; W1333-F1338 HydrophobicContact CH2-CD2 3.97Å; W1333-F1338 HydrophobicContact CH2-CE2 4.24Å; W1333-F1338 HydrophobicContact CZ2-CD2 4.13Å; W1333-F1338 AromaticContact CZ2-CE2 3.92Å; W1333-F1338 HydrophobicContact CZ2-CE2 3.92Å | ||
| 1334 | D | 38.1 | Very low | 32.5 | Very low | 112 Ų | 112 | 103 Ų | 103 | 60% | 0.599 | 55% | 0.546 | S | S | * | . | trans | -86.2 | 20.8 | -176.3 | -44.1 | -52.2 | 0 | 0 | 0 | 112.4 | N1654 | D1334-N1654 PolarHBondContact O-ND2 3.15Å; D1334-N1654 PolarHBondContact O-OD1 3.16Å | ||
| 1335 | G | 38.1 | Very low | 33.1 | Very low | 21 Ų | 21 | 107 Ų | 107 | 22% | 0.216 | 55% | 0.552 | C | S | . | * | S | Bend | trans | -102.9 | 169.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115 | W1333 N1654 | W1333-G1335 PolarHBondContact O-N 3.14Å; G1335-N1654 WeakPolarHBondContact CA-OD1 3.44Å |
| 1336 | P | 39.3 | Very low | 33.8 | Very low | 25 Ų | 25 | 103.4 Ų | 103.4 | 16% | 0.162 | 54% | 0.538 | C | S | . | . | P | Polyproline II helix | trans | -75.2 | 127 | -172.9 | 30.4 | -35.1 | 0 | 0 | 0 | 112.3 | W1333 F1338 N1654 W1715 | W1333-P1336 WeakPolarHBondContact CH2-O 3.26Å; W1333-P1336 WeakPolarHBondContact CZ2-O 3.27Å; P1336-F1338 PolarHBondContact O-N 3.39Å; P1336-N1654 WeakPolarHBondContact CD-OD1 3.38Å; P1336-W1715 HydrophobicContact CG-CH2 4.45Å |
| 1337 | Y | 37 | Very low | 34.5 | Very low | 172 Ų | 172 | 101.6 Ų | 101.6 | 68% | 0.675 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -66 | 116.9 | -176.8 | -167.7 | -97.1 | 0 | 0 | 0 | 112.2 | W1333 D1339 | W1333-Y1337 HydrophobicContact CZ3-CD2 4.2Å; Y1337-D1339 HydrophobicContact CD1-CB 4.08Å; Y1337-D1339 HydrophobicContact CE1-CB 4.39Å; Y1337-D1339 WeakPolarHBondContact CE1-OD1 3.45Å; Y1337-D1339 PolarHBondContact O-N 3.33Å |
| 1338 | F | 38.6 | Very low | 35.1 | Very low | 41 Ų | 41 | 96.2 Ų | 96.2 | 18% | 0.18 | 50% | 0.503 | C | S | . | . | trans | -76.9 | 64.3 | -177.3 | -67.2 | -83.3 | 0 | 0 | 0 | 112.6 | W1333 P1336 W1340 L1341 W1715 | W1333-F1338 AromaticContact CH2-CD2 3.97Å; W1333-F1338 HydrophobicContact CH2-CD2 3.97Å; W1333-F1338 HydrophobicContact CH2-CE2 4.24Å; W1333-F1338 HydrophobicContact CZ2-CD2 4.13Å; W1333-F1338 AromaticContact CZ2-CE2 3.92Å; W1333-F1338 HydrophobicContact CZ2-CE2 3.92Å; P1336-F1338 PolarHBondContact O-N 3.39Å; F1338-W1340 VanDerWaalsContact C-N 3.3Å; F1338-W1340 PolarHBondContact O-N 3.08Å; F1338-L1341 PolarHBondContact O-N 3.47Å; F1338-W1715 HydrophobicContact CE1-CZ2 4.03Å; F1338-W1715 HydrophobicContact CZ-CZ2 4.17Å | ||
| 1339 | D | 37.2 | Very low | 35.7 | Very low | 101 Ų | 101 | 91.9 Ų | 91.9 | 54% | 0.54 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -40.7 | -170.4 | -126.3 | -31.4 | 0 | 0 | 0 | 113.2 | Y1337 L1341 S1342 | Y1337-D1339 HydrophobicContact CD1-CB 4.08Å; Y1337-D1339 HydrophobicContact CE1-CB 4.39Å; Y1337-D1339 WeakPolarHBondContact CE1-OD1 3.45Å; Y1337-D1339 PolarHBondContact O-N 3.33Å; D1339-L1341 VanDerWaalsContact C-N 3.34Å; D1339-L1341 PolarHBondContact O-N 3.45Å; D1339-S1342 WeakPolarHBondContact O-CB 3.22Å; D1339-S1342 PolarHBondContact O-N 3.26Å; D1339-S1342 PolarHBondContact O-OG 2.81Å |
| 1340 | W | 39.4 | Very low | 36.7 | Very low | 107 Ų | 107 | 87.6 Ų | 87.6 | 41% | 0.405 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -69.5 | -26.7 | -173 | 82.6 | -105.6 | 0 | 0 | 0 | 114.2 | F1338 S1342 T1343 V1344 E1587 | F1338-W1340 VanDerWaalsContact C-N 3.3Å; F1338-W1340 PolarHBondContact O-N 3.08Å; W1340-S1342 PolarHBondContact O-N 2.89Å; W1340-S1342 VanDerWaalsContact O-N 3.14Å; W1340-T1343 PolarHBondContact O-N 3.41Å; W1340-T1343 PolarHBondContact O-OG1 2.83Å; W1340-V1344 HydrophobicContact CB-CG2 4.46Å; W1340-V1344 HydrophobicContact CE3-CB 3.91Å; W1340-V1344 HydrophobicContact CE3-CG2 3.89Å; W1340-V1344 HydrophobicContact CZ3-CB 4.23Å; W1340-V1344 PolarHBondContact O-N 3.31Å; W1340-E1587 HydrophobicContact CH2-CG 3.94Å; W1340-E1587 HydrophobicContact CZ2-CG 3.56Å; W1340-E1587 VanDerWaalsContact CZ2-OE2 3.28Å; W1340-E1587 WeakPolarHBondContact CZ2-OE2 3.4Å; W1340-E1587 PolarHBondContact NE1-OE2 3.28Å |
| 1341 | L | 35.8 | Very low | 38 | Very low | 32 Ų | 32 | 82.8 Ų | 82.8 | 17% | 0.168 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -62.5 | -20.6 | 173.5 | -125.6 | 103.5 | 0 | 0 | 0 | 112.2 | F1338 D1339 D1368 E1587 | F1338-L1341 PolarHBondContact O-N 3.47Å; D1339-L1341 VanDerWaalsContact C-N 3.34Å; D1339-L1341 PolarHBondContact O-N 3.45Å; L1341-D1368 HydrophobicContact CD2-CB 3.87Å; L1341-E1587 HydrophobicContact CD1-CB 4Å; L1341-E1587 HydrophobicContact CD1-CG 3.71Å |
| 1342 | S | 39.1 | Very low | 39.6 | Very low | 57 Ų | 57 | 79.6 Ų | 79.6 | 40% | 0.399 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -84.7 | -28.6 | 175.5 | 84 | 0 | 0 | 0 | 0 | 113.3 | D1339 W1340 K1372 | D1339-S1342 WeakPolarHBondContact O-CB 3.22Å; D1339-S1342 PolarHBondContact O-N 3.26Å; D1339-S1342 PolarHBondContact O-OG 2.81Å; W1340-S1342 PolarHBondContact O-N 2.89Å; W1340-S1342 VanDerWaalsContact O-N 3.14Å; S1342-K1372 WeakPolarHBondContact O-CE 3.47Å; S1342-K1372 PolarHBondContact O-NZ 3.25Å |
| 1343 | T | 37.5 | Very low | 41.7 | Very low | 104 Ų | 104 | 72 Ų | 72 | 64% | 0.638 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -102.5 | -27.8 | -168.5 | 63.6 | 0 | 0 | 0 | 0 | 114.4 | W1340 | W1340-T1343 PolarHBondContact O-N 3.41Å; W1340-T1343 PolarHBondContact O-OG1 2.83Å |
| 1344 | V | 33 | Very low | 43.9 | Very low | 66 Ų | 66 | 68.1 Ų | 68.1 | 40% | 0.4 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -98.8 | 139.3 | -174.4 | -171.9 | 0 | 0 | 0 | 0 | 111.9 | W1340 | W1340-V1344 HydrophobicContact CB-CG2 4.46Å; W1340-V1344 HydrophobicContact CE3-CB 3.91Å; W1340-V1344 HydrophobicContact CE3-CG2 3.89Å; W1340-V1344 HydrophobicContact CZ3-CB 4.23Å; W1340-V1344 PolarHBondContact O-N 3.31Å |
| 1345 | R | 35.3 | Very low | 46 | Very low | 219 Ų | 219 | 63.3 Ų | 63.3 | 83% | 0.826 | 34% | 0.335 | S | S | * | . | P | Polyproline II helix | trans | -83.8 | 127.9 | 172.2 | -155.6 | -179.8 | -162.6 | -169.8 | 2.9 | 107.9 | S1347 | R1345-S1347 PolarHBondContact O-N 3.43Š|
| 1346 | P | 35.4 | Very low | 47.9 | Very low | 82 Ų | 82 | 63.1 Ų | 63.1 | 53% | 0.532 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -54.7 | 135.3 | -167.9 | 18.6 | -32.2 | 0 | 0 | 0 | 113.5 | V1582 D1583 | P1346-V1582 HydrophobicContact CB-CG1 4.31Å; P1346-D1583 CarbonylContact C-O 3.44Å |
| 1347 | S | 36.8 | Very low | 50 | Low | 70 Ų | 70 | 62.1 Ų | 62.1 | 49% | 0.49 | 33% | 0.327 | S | S | . | . | trans | -151.5 | 122.5 | -167 | 59.5 | 0 | 0 | 0 | 0 | 115 | R1345 D1583 G1584 | R1345-S1347 PolarHBondContact O-N 3.43Å; S1347-D1583 CarbonylContact C-O 3.58Å; S1347-D1583 WeakPolarHBondContact CA-O 3.42Å; S1347-D1583 PolarHBondContact N-O 2.84Å; S1347-G1584 VanDerWaalsContact C-CA 3.49Å; S1347-G1584 WeakPolarHBondContact O-CA 3.44Å | ||
| 1348 | A | 36 | Very low | 52.3 | Low | 30 Ų | 30 | 59 Ų | 59 | 25% | 0.248 | 31% | 0.313 | C | S | . | . | trans | 43.7 | 116.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 119 | P1350 D1583 G1584 I1585 G1614 | A1348-P1350 VanDerWaalsContact O-CD 3.23Å; A1348-P1350 WeakPolarHBondContact O-CD 3.47Å; A1348-D1583 VanDerWaalsContact CA-C 3.49Å; A1348-D1583 PolarHBondContact N-O 2.96Å; A1348-G1584 VanDerWaalsContact C-CA 3.41Å; A1348-G1584 VanDerWaalsContact C-N 3.28Å; A1348-I1585 PolarHBondContact O-N 3.06Å; A1348-G1614 WeakPolarHBondContact CB-O 3.45Å; A1348-G1614 VanDerWaalsContact O-CA 3.31Å; A1348-G1614 WeakPolarHBondContact O-CA 3.47Å | ||
| 1349 | S | 40.3 | Very low | 54.5 | Low | 29 Ų | 29 | 57 Ų | 57 | 20% | 0.203 | 31% | 0.305 | C | S | . | . | trans | -101.5 | 108 | 178.7 | -169.5 | 0 | 0 | 0 | 0 | 112.8 | Y1351 G1584 | S1349-Y1351 PolarHBondContact O-N 2.99Å; S1349-Y1351 PolarHBondContact OG-N 3.32Å; S1349-Y1351 VanDerWaalsContact OG-N 3.11Å; S1349-Y1351 PolarHBondContact OG-O 3.5Å; S1349-G1584 VanDerWaalsContact CB-C 3.48Å; S1349-G1584 WeakPolarHBondContact CB-O 3.16Å; S1349-G1584 VanDerWaalsContact N-N 3.11Å; S1349-G1584 PolarHBondContact OG-O 3.25Å | ||
| 1350 | P | 45.7 | Very low | 56.6 | Low | 46 Ų | 46 | 52.2 Ų | 52.2 | 30% | 0.299 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -68.3 | -14.4 | 159 | 24.6 | -34.6 | 0 | 0 | 0 | 114 | A1348 I1585 | A1348-P1350 VanDerWaalsContact O-CD 3.23Å; A1348-P1350 WeakPolarHBondContact O-CD 3.47Å; P1350-I1585 HydrophobicContact CG-CD1 3.71Å; P1350-I1585 HydrophobicContact CG-CG1 3.68Å |
| 1351 | Y | 57.6 | Low | 58.7 | Low | 17 Ų | 17 | 47.1 Ų | 47.1 | 7% | 0.067 | 26% | 0.26 | C | S | . | . | trans | -100.9 | 91.8 | 178.1 | -177.9 | -115.1 | 0 | 0 | 0 | 112.7 | S1349 P1353 D1357 V1359 I1589 L1591 | S1349-Y1351 PolarHBondContact O-N 2.99Å; S1349-Y1351 PolarHBondContact OG-N 3.32Å; S1349-Y1351 VanDerWaalsContact OG-N 3.11Å; S1349-Y1351 PolarHBondContact OG-O 3.5Å; Y1351-P1353 HydrophobicContact CE1-CB 4.06Å; Y1351-D1357 PolarHBondContact OH-OD2 3.2Å; Y1351-V1359 VanDerWaalsContact OH-CG1 3.31Å; Y1351-V1359 WeakPolarHBondContact OH-CG1 3.37Å; Y1351-I1589 HydrophobicContact CE1-CB 4.45Å; Y1351-I1589 HydrophobicContact CE1-CG2 3.92Å; Y1351-L1591 HydrophobicContact CD2-CD1 3.84Å; Y1351-L1591 HydrophobicContact CD2-CG 4.04Å; Y1351-L1591 HydrophobicContact CE2-CD1 3.74Å; Y1351-L1591 HydrophobicContact CE2-CD2 3.83Å; Y1351-L1591 HydrophobicContact CE2-CG 3.59Å | ||
| 1352 | L | 64.9 | Low | 60.7 | Low | 83 Ų | 83 | 46.5 Ų | 46.5 | 44% | 0.435 | 26% | 0.256 | S | S | . | . | trans | -81.8 | 125.1 | 154.9 | -88.8 | 74.1 | 0 | 0 | 0 | 109.4 | R1834 | L1352-R1834 PolarHBondContact O-NH2 2.91Š| ||
| 1353 | P | 76.9 | Confident | 62.4 | Low | 7 Ų | 7 | 46 Ų | 46 | 5% | 0.045 | 25% | 0.246 | C | C | . | . | trans | -68.6 | 153.7 | 174 | 30.1 | -36.2 | 0 | 0 | 0 | 111.9 | Y1351 I1415 L1537 Y1579 | Y1351-P1353 HydrophobicContact CE1-CB 4.06Å; P1353-I1415 HydrophobicContact CB-CD1 4.12Å; P1353-I1415 HydrophobicContact CG-CD1 4.2Å; P1353-I1415 WeakPolarHBondContact O-CD1 3.45Å; P1353-L1537 HydrophobicContact CB-CD1 4.36Å; P1353-L1537 HydrophobicContact CB-CD2 4.1Å; P1353-L1537 HydrophobicContact CG-CD1 4.49Å; P1353-L1537 HydrophobicContact CG-CD2 3.92Å; P1353-Y1579 WeakPolarHBondContact CG-OH 3.43Å | ||
| 1354 | Q | 79.6 | Confident | 63.8 | Low | 10 Ų | 10 | 46.1 Ų | 46.1 | 5% | 0.047 | 24% | 0.235 | C | C | . | . | trans | -132.3 | 147.4 | 175.9 | -69.4 | 174.4 | 20.4 | 0 | 0 | 110 | G1356 D1357 Y1832 | Q1354-G1356 PolarHBondContact O-N 3.19Å; Q1354-D1357 WeakPolarHBondContact CA-OD2 3.34Å; Q1354-D1357 WeakPolarHBondContact CB-OD2 3.21Å; Q1354-D1357 PolarHBondContact N-OD2 2.84Å; Q1354-D1357 VanDerWaalsContact O-CB 3.31Å; Q1354-D1357 WeakPolarHBondContact O-CB 3.33Å; Q1354-D1357 PolarHBondContact O-N 2.76Å; Q1354-D1357 VanDerWaalsContact O-N 3.13Å; Q1354-Y1832 PolarHBondContact NE2-O 3.21Å; Q1354-Y1832 PolarHBondContact OE1-O 2.8Å | ||
| 1355 | T | 82.1 | Confident | 65.4 | Low | 11 Ų | 11 | 43.3 Ų | 43.3 | 7% | 0.067 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | 135 | 169.6 | 42.3 | 0 | 0 | 0 | 0 | 109.7 | Q1413 I1415 I1837 S1838 S1841 | T1355-Q1413 WeakPolarHBondContact CG2-O 3.42Å; T1355-I1415 HydrophobicContact CG2-CD1 4.43Å; T1355-I1415 HydrophobicContact CG2-CG1 4.04Å; T1355-I1837 WeakPolarHBondContact O-CG2 3.47Å; T1355-S1838 PolarHBondContact O-OG 3.34Å; T1355-S1841 WeakPolarHBondContact OG1-CB 3.46Å; T1355-S1841 PolarHBondContact OG1-OG 2.93Å; T1355-S1841 VanDerWaalsContact OG1-OG 3.09Å |
| 1356 | G | 78.6 | Confident | 67.5 | Low | 17 Ų | 17 | 32.9 Ų | 32.9 | 18% | 0.175 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 95.1 | -19.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q1354 V1412 Q1835 | Q1354-G1356 PolarHBondContact O-N 3.19Å; G1356-V1412 PolarHBondContact N-O 3.16Å; G1356-Q1835 PolarHBondContact O-NE2 2.94Å; G1356-Q1835 PolarHBondContact O-OE1 3.43Å |
| 1357 | D | 84.4 | Confident | 69.1 | Low | 4 Ų | 4 | 31 Ų | 31 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | trans | -56.8 | 140.4 | -179.1 | -79.9 | -26.3 | 0 | 0 | 0 | 112.4 | Y1351 Q1354 V1359 S1411 V1412 L1591 R1834 | Y1351-D1357 PolarHBondContact OH-OD2 3.2Å; Q1354-D1357 WeakPolarHBondContact CA-OD2 3.34Å; Q1354-D1357 WeakPolarHBondContact CB-OD2 3.21Å; Q1354-D1357 PolarHBondContact N-OD2 2.84Å; Q1354-D1357 VanDerWaalsContact O-CB 3.31Å; Q1354-D1357 WeakPolarHBondContact O-CB 3.33Å; Q1354-D1357 PolarHBondContact O-N 2.76Å; Q1354-D1357 VanDerWaalsContact O-N 3.13Å; D1357-V1359 HydrophobicContact CB-CG1 4.4Å; D1357-S1411 CarbonylContact O-C 3.6Å; D1357-S1411 VanDerWaalsContact O-CA 3.24Å; D1357-S1411 WeakPolarHBondContact O-CA 3.45Å; D1357-V1412 HydrophobicContact CB-CB 4.39Å; D1357-V1412 HydrophobicContact CB-CG2 3.99Å; D1357-V1412 PolarHBondContact O-N 3.12Å; D1357-L1591 HydrophobicContact CB-CD2 4.24Å; D1357-R1834 IonicContact OD1-CZ 3.24Å; D1357-R1834 IonicContact OD1-NE 3.33Å; D1357-R1834 PolarHBondContact OD1-NE 3.12Å; D1357-R1834 IonicContact OD1-NH2 3.7Å; D1357-R1834 IonicContact OD2-CZ 3.4Å; D1357-R1834 IonicContact OD2-NE 2.66Å; D1357-R1834 PolarHBondContact OD2-NE 3.24Å; D1357-R1834 IonicContact OD2-NH2 2.61Å; D1357-R1834 PolarHBondContact OD2-NH2 2.86Å | ||
| 1358 | R | 84.8 | Confident | 70.4 | Confident | 105 Ų | 105 | 29.5 Ų | 29.5 | 40% | 0.396 | 15% | 0.151 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 126 | 167.7 | -67.2 | -178.5 | -178.8 | -121.8 | 6.9 | 109.1 | C1410 E1542 R1592 | R1358-C1410 CarbonylContact C-O 3.5Å; R1358-C1410 WeakPolarHBondContact CA-O 3.48Å; R1358-E1542 IonicContact CZ-OE1 2.93Å; R1358-E1542 IonicContact NH1-OE1 3.35Å; R1358-E1542 PolarHBondContact NH1-OE1 2.92Å; R1358-E1542 IonicContact NH1-OE2 3.4Å; R1358-E1542 PolarHBondContact NH1-OE2 3.08Å; R1358-R1592 HydrophobicContact CB-CB 4.03Å; R1358-R1592 WeakPolarHBondContact O-CB 3.45Å; R1358-R1592 PolarHBondContact O-N 3.32Å |
| 1359 | V | 84.4 | Confident | 72 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 156 | -173.9 | -64.9 | 0 | 0 | 0 | 0 | 111.2 | Y1351 D1357 C1410 V1412 L1539 I1589 I1590 L1591 | Y1351-V1359 VanDerWaalsContact OH-CG1 3.31Å; Y1351-V1359 WeakPolarHBondContact OH-CG1 3.37Å; D1357-V1359 HydrophobicContact CB-CG1 4.4Å; V1359-C1410 HydrophobicContact CG2-CB 4.24Å; V1359-C1410 PolarHBondContact N-O 2.96Å; V1359-C1410 PolarHBondContact O-N 3.08Å; V1359-V1412 HydrophobicContact CG1-CG2 4.39Å; V1359-V1412 HydrophobicContact CG2-CG2 4.36Å; V1359-L1539 HydrophobicContact CG2-CD1 4.48Å; V1359-L1539 HydrophobicContact CG2-CD2 4.11Å; V1359-I1589 HydrophobicContact CB-CG2 3.81Å; V1359-I1589 HydrophobicContact CG1-CG2 3.73Å; V1359-I1589 HydrophobicContact CG2-CG2 4.16Å; V1359-I1590 CarbonylContact C-O 3.57Å; V1359-I1590 VanDerWaalsContact CA-O 3.26Å; V1359-I1590 WeakPolarHBondContact CA-O 3.42Å; V1359-L1591 HydrophobicContact CG1-CD2 4.37Å |
| 1360 | V | 80.6 | Confident | 73.3 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 113.2 | 162.9 | 178.2 | 0 | 0 | 0 | 0 | 106.8 | L1362 F1407 L1408 I1590 R1592 F1595 | V1360-L1362 HydrophobicContact CG1-CD2 3.97Å; V1360-F1407 HydrophobicContact CG1-CB 4.04Å; V1360-L1408 WeakPolarHBondContact CA-O 3.45Å; V1360-I1590 PolarHBondContact N-O 2.67Å; V1360-I1590 PolarHBondContact O-N 2.79Å; V1360-R1592 HydrophobicContact CG2-CB 4.1Å; V1360-R1592 HydrophobicContact CG2-CG 4Å; V1360-F1595 HydrophobicContact CB-CD1 4.49Å; V1360-F1595 HydrophobicContact CB-CG 4.33Å; V1360-F1595 HydrophobicContact CG1-CD1 4.42Å; V1360-F1595 HydrophobicContact CG1-CD2 4.46Å; V1360-F1595 HydrophobicContact CG1-CE1 4.32Å; V1360-F1595 HydrophobicContact CG1-CE2 4.39Å; V1360-F1595 HydrophobicContact CG1-CG 4.47Å; V1360-F1595 HydrophobicContact CG1-CZ 4.31Å; V1360-F1595 HydrophobicContact CG2-CB 4.06Å; V1360-F1595 HydrophobicContact CG2-CD1 3.78Å; V1360-F1595 HydrophobicContact CG2-CE1 4.35Å; V1360-F1595 HydrophobicContact CG2-CG 3.93Å |
| 1361 | Y | 83.9 | Confident | 74 | Confident | 1 Ų | 1 | 29.8 Ų | 29.8 | 0% | 0.004 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 126.7 | 174.4 | 165.7 | -95.2 | 0 | 0 | 0 | 109.3 | H1366 L1404 F1407 L1408 L1539 V1577 F1588 | Y1361-H1366 HydrophobicContact CE2-CB 3.87Å; Y1361-H1366 AromaticContact CE2-CG 3.94Å; Y1361-H1366 AromaticContact CE2-ND1 3.55Å; Y1361-H1366 AromaticContact CZ-ND1 3.67Å; Y1361-H1366 PolarHBondContact OH-ND1 3Å; Y1361-L1404 HydrophobicContact CE1-CD2 4Å; Y1361-F1407 CarbonylContact O-C 3.42Å; Y1361-F1407 VanDerWaalsContact O-CA 3.27Å; Y1361-F1407 WeakPolarHBondContact O-CA 3.43Å; Y1361-L1408 PolarHBondContact N-O 3.06Å; Y1361-L1408 PolarHBondContact O-N 2.51Å; Y1361-L1539 HydrophobicContact CD2-CD1 4.49Å; Y1361-L1539 HydrophobicContact CG-CD1 4.47Å; Y1361-V1577 HydrophobicContact CD2-CG1 4.17Å; Y1361-V1577 HydrophobicContact CD2-CG2 3.77Å; Y1361-V1577 HydrophobicContact CE2-CB 4.44Å; Y1361-V1577 HydrophobicContact CE2-CG1 3.84Å; Y1361-V1577 HydrophobicContact CE2-CG2 3.66Å; Y1361-V1577 HydrophobicContact CG-CG2 4.49Å; Y1361-F1588 CarbonylContact C-O 3.58Å; Y1361-F1588 WeakPolarHBondContact CA-O 3.43Å; Y1361-F1588 HydrophobicContact CD2-CD2 4.36Å; Y1361-F1588 HydrophobicContact CE2-CD2 4.21Å |
| 1362 | L | 77.5 | Confident | 74 | Confident | 18 Ų | 18 | 32.2 Ų | 32.2 | 9% | 0.094 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 115 | 175.1 | -51.8 | -178.7 | 0 | 0 | 0 | 109.8 | V1360 R1364 H1366 Q1406 F1407 F1588 I1590 | V1360-L1362 HydrophobicContact CG1-CD2 3.97Å; L1362-R1364 PolarHBondContact O-N 2.9Å; L1362-H1366 PolarHBondContact O-N 3.32Å; L1362-Q1406 WeakPolarHBondContact CA-O 3.46Å; L1362-F1407 HydrophobicContact CD2-CB 3.8Å; L1362-F1588 HydrophobicContact CB-CB 4.22Å; L1362-F1588 PolarHBondContact N-O 3.41Å; L1362-I1590 HydrophobicContact CD1-CD1 4.14Å |
| 1363 | Y | 74.6 | Confident | 73.7 | Confident | 46 Ų | 46 | 28.9 Ų | 28.9 | 18% | 0.18 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.5 | -48.3 | 179.9 | 163.3 | -138.2 | 0 | 0 | 0 | 111.8 | H1366 Q1367 W1398 L1404 Q1406 | Y1363-H1366 PolarHBondContact O-N 2.72Å; Y1363-Q1367 HydrophobicContact CD2-CG 3.97Å; Y1363-Q1367 HydrophobicContact CE2-CG 3.6Å; Y1363-Q1367 VanDerWaalsContact CE2-NE2 3.32Å; Y1363-Q1367 PolarHBondContact O-N 3.31Å; Y1363-Q1367 VanDerWaalsContact O-N 3.15Å; Y1363-Q1367 PolarHBondContact OH-NE2 3.32Å; Y1363-W1398 HydrophobicContact CD2-CD2 4.4Å; Y1363-W1398 AromaticContact CD2-CE3 3.72Å; Y1363-W1398 HydrophobicContact CD2-CE3 3.72Å; Y1363-W1398 HydrophobicContact CD2-CZ3 4.22Å; Y1363-W1398 HydrophobicContact CE2-CB 3.71Å; Y1363-W1398 AromaticContact CE2-CD2 3.73Å; Y1363-W1398 HydrophobicContact CE2-CD2 3.73Å; Y1363-W1398 AromaticContact CE2-CE3 3.52Å; Y1363-W1398 HydrophobicContact CE2-CE3 3.52Å; Y1363-W1398 AromaticContact CE2-CG 3.84Å; Y1363-W1398 HydrophobicContact CE2-CG 3.84Å; Y1363-W1398 HydrophobicContact CE2-CZ3 4.26Å; Y1363-L1404 HydrophobicContact CD1-CB 4.42Å; Y1363-L1404 HydrophobicContact CD2-CD2 3.79Å; Y1363-L1404 HydrophobicContact CE2-CD2 4.4Å; Y1363-L1404 HydrophobicContact CG-CB 4.44Å; Y1363-L1404 HydrophobicContact CG-CD2 3.98Å; Y1363-L1404 HydrophobicContact CG-CG 4.44Å; Y1363-Q1406 PolarHBondContact N-O 2.95Å |
| 1364 | R | 66.9 | Low | 72.5 | Confident | 108 Ų | 108 | 36.1 Ų | 36.1 | 41% | 0.408 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -66.1 | -50.5 | -173.7 | -172.9 | 63.7 | -135.2 | -172.2 | -13.8 | 112.2 | L1362 H1366 Q1367 D1368 | L1362-R1364 PolarHBondContact O-N 2.9Å; R1364-H1366 PolarHBondContact O-N 3.34Å; R1364-H1366 VanDerWaalsContact O-N 3.15Å; R1364-Q1367 WeakPolarHBondContact O-CA 3.32Å; R1364-Q1367 WeakPolarHBondContact O-CB 3.27Å; R1364-Q1367 PolarHBondContact O-N 2.94Å; R1364-D1368 WeakPolarHBondContact CG-OD2 3.34Å; R1364-D1368 IonicContact CZ-OD1 2.74Å; R1364-D1368 IonicContact CZ-OD2 2.77Å; R1364-D1368 IonicContact NE-OD1 3Å; R1364-D1368 PolarHBondContact NE-OD1 3.14Å; R1364-D1368 IonicContact NE-OD2 3.42Å; R1364-D1368 PolarHBondContact NE-OD2 3.25Å; R1364-D1368 IonicContact NH2-OD1 2.64Å; R1364-D1368 PolarHBondContact NH2-OD1 2.56Å; R1364-D1368 IonicContact NH2-OD2 3.5Å; R1364-D1368 PolarHBondContact O-N 3.48Å |
| 1365 | G | 67.4 | Low | 71 | Confident | 6 Ų | 6 | 42.3 Ų | 42.3 | 6% | 0.062 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.6 | -30.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y1369 | G1365-Y1369 VanDerWaalsContact O-CB 3.24Å; G1365-Y1369 WeakPolarHBondContact O-CB 3.4Å; G1365-Y1369 PolarHBondContact O-N 3.43Å |
| 1366 | H | 79 | Confident | 69.3 | Low | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -73.2 | -35.3 | 173 | -173.2 | -152.4 | 0 | 0 | 0 | 112.6 | Y1361 L1362 Y1363 R1364 L1370 W1398 F1588 | Y1361-H1366 HydrophobicContact CE2-CB 3.87Å; Y1361-H1366 AromaticContact CE2-CG 3.94Å; Y1361-H1366 AromaticContact CE2-ND1 3.55Å; Y1361-H1366 AromaticContact CZ-ND1 3.67Å; Y1361-H1366 PolarHBondContact OH-ND1 3Å; L1362-H1366 PolarHBondContact O-N 3.32Å; Y1363-H1366 PolarHBondContact O-N 2.72Å; R1364-H1366 PolarHBondContact O-N 3.34Å; R1364-H1366 VanDerWaalsContact O-N 3.15Å; H1366-L1370 WeakPolarHBondContact O-CG 3.33Å; H1366-L1370 PolarHBondContact O-N 2.94Å; H1366-L1370 VanDerWaalsContact O-N 3.09Å; H1366-W1398 HydrophobicContact CB-CZ3 4.5Å; H1366-W1398 AromaticContact ND1-CZ3 3.55Å; H1366-F1588 HydrophobicContact CB-CB 4.14Å; H1366-F1588 HydrophobicContact CB-CD1 4.48Å; H1366-F1588 HydrophobicContact CB-CD2 3.59Å; H1366-F1588 HydrophobicContact CB-CE2 4.07Å; H1366-F1588 HydrophobicContact CB-CG 3.83Å; H1366-F1588 AromaticContact CD2-CE2 3.56Å; H1366-F1588 AromaticContact CD2-CZ 3.74Å; H1366-F1588 AromaticContact CG-CD2 3.86Å; H1366-F1588 AromaticContact CG-CE2 3.81Å |
| 1367 | Q | 69.5 | Low | 67.8 | Low | 42 Ų | 42 | 46.6 Ų | 46.6 | 20% | 0.196 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63 | -44.3 | 170.6 | -64 | -168.3 | -53.8 | 0 | 0 | 111.5 | Y1363 R1364 L1370 S1371 W1398 | Y1363-Q1367 HydrophobicContact CD2-CG 3.97Å; Y1363-Q1367 HydrophobicContact CE2-CG 3.6Å; Y1363-Q1367 VanDerWaalsContact CE2-NE2 3.32Å; Y1363-Q1367 PolarHBondContact O-N 3.31Å; Y1363-Q1367 VanDerWaalsContact O-N 3.15Å; Y1363-Q1367 PolarHBondContact OH-NE2 3.32Å; R1364-Q1367 WeakPolarHBondContact O-CA 3.32Å; R1364-Q1367 WeakPolarHBondContact O-CB 3.27Å; R1364-Q1367 PolarHBondContact O-N 2.94Å; Q1367-L1370 PolarHBondContact O-N 3.05Å; Q1367-S1371 PolarHBondContact O-N 2.82Å; Q1367-W1398 HydrophobicContact CG-CE3 4.37Å; Q1367-W1398 HydrophobicContact CG-CH2 3.88Å; Q1367-W1398 HydrophobicContact CG-CZ2 4.09Å; Q1367-W1398 HydrophobicContact CG-CZ3 4.03Å |
| 1368 | D | 64.4 | Low | 66.1 | Low | 40 Ų | 40 | 50.8 Ų | 50.8 | 21% | 0.214 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -72.7 | -36.5 | -177.4 | -65.6 | -46.4 | 0 | 0 | 0 | 112.2 | L1341 R1364 L1370 S1371 K1372 | L1341-D1368 HydrophobicContact CD2-CB 3.87Å; R1364-D1368 WeakPolarHBondContact CG-OD2 3.34Å; R1364-D1368 IonicContact CZ-OD1 2.74Å; R1364-D1368 IonicContact CZ-OD2 2.77Å; R1364-D1368 IonicContact NE-OD1 3Å; R1364-D1368 PolarHBondContact NE-OD1 3.14Å; R1364-D1368 IonicContact NE-OD2 3.42Å; R1364-D1368 PolarHBondContact NE-OD2 3.25Å; R1364-D1368 IonicContact NH2-OD1 2.64Å; R1364-D1368 PolarHBondContact NH2-OD1 2.56Å; R1364-D1368 IonicContact NH2-OD2 3.5Å; R1364-D1368 PolarHBondContact O-N 3.48Å; D1368-L1370 PolarHBondContact O-N 2.86Å; D1368-S1371 WeakPolarHBondContact CA-OG 3.46Å; D1368-S1371 PolarHBondContact O-N 3Å; D1368-S1371 PolarHBondContact O-OG 3.27Å; D1368-K1372 WeakPolarHBondContact O-CB 3.34Å; D1368-K1372 PolarHBondContact O-N 2.77Å |
| 1369 | Y | 69.2 | Low | 64.2 | Low | 36 Ų | 36 | 47.4 Ų | 47.4 | 14% | 0.141 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.2 | -47.1 | 166.8 | 168 | -94.2 | 0 | 0 | 0 | 112 | G1365 K1372 A1373 H1580 L1586 F1588 | G1365-Y1369 VanDerWaalsContact O-CB 3.24Å; G1365-Y1369 WeakPolarHBondContact O-CB 3.4Å; G1365-Y1369 PolarHBondContact O-N 3.43Å; Y1369-K1372 PolarHBondContact O-N 2.84Å; Y1369-A1373 WeakPolarHBondContact O-CB 3.49Å; Y1369-A1373 PolarHBondContact O-N 3.47Å; Y1369-H1580 AromaticContact CE1-ND1 3.93Å; Y1369-H1580 AromaticContact CZ-ND1 3.78Å; Y1369-H1580 WeakPolarHBondContact OH-CB 3.42Å; Y1369-H1580 PolarHBondContact OH-N 2.73Å; Y1369-H1580 PolarHBondContact OH-ND1 2.87Å; Y1369-H1580 PolarHBondContact OH-O 3.18Å; Y1369-L1586 HydrophobicContact CE2-CD2 4.48Å; Y1369-F1588 AromaticContact CD1-CE1 3.84Å; Y1369-F1588 HydrophobicContact CD1-CE1 3.84Å; Y1369-F1588 HydrophobicContact CD1-CZ 4.09Å; Y1369-F1588 AromaticContact CD2-CE1 3.93Å; Y1369-F1588 HydrophobicContact CD2-CE1 3.93Å; Y1369-F1588 HydrophobicContact CE1-CE1 4.42Å; Y1369-F1588 HydrophobicContact CE1-CZ 4.42Å; Y1369-F1588 HydrophobicContact CE2-CE1 4.48Å; Y1369-F1588 HydrophobicContact CG-CD1 4.29Å; Y1369-F1588 AromaticContact CG-CE1 3.57Å; Y1369-F1588 HydrophobicContact CG-CE1 3.57Å; Y1369-F1588 HydrophobicContact CG-CZ 4.29Å |
| 1370 | L | 67.5 | Low | 62.3 | Low | 19 Ų | 19 | 48.8 Ų | 48.8 | 10% | 0.099 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -69.5 | -37.2 | 179.1 | -71.2 | -173.7 | 0 | 0 | 0 | 112.5 | H1366 Q1367 D1368 A1373 W1374 L1379 L1396 W1398 | H1366-L1370 WeakPolarHBondContact O-CG 3.33Å; H1366-L1370 PolarHBondContact O-N 2.94Å; H1366-L1370 VanDerWaalsContact O-N 3.09Å; Q1367-L1370 PolarHBondContact O-N 3.05Å; D1368-L1370 PolarHBondContact O-N 2.86Å; L1370-A1373 PolarHBondContact O-N 3.28Å; L1370-W1374 WeakPolarHBondContact O-CB 3.3Å; L1370-W1374 PolarHBondContact O-N 3.36Å; L1370-L1379 HydrophobicContact CD2-CD1 4.31Å; L1370-L1379 WeakPolarHBondContact O-CD1 3.47Å; L1370-L1396 HydrophobicContact CD1-CD1 4.02Å; L1370-L1396 HydrophobicContact CD1-CD2 3.67Å; L1370-L1396 HydrophobicContact CD1-CG 4.49Å; L1370-W1398 HydrophobicContact CD1-CH2 3.8Å; L1370-W1398 HydrophobicContact CD1-CZ2 4.18Å |
| 1371 | S | 61.4 | Low | 60.4 | Low | 56 Ų | 56 | 52.9 Ų | 52.9 | 39% | 0.392 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.1 | -44.1 | 176 | 74.1 | 0 | 0 | 0 | 0 | 110.6 | Q1367 D1368 W1374 E1375 | Q1367-S1371 PolarHBondContact O-N 2.82Å; D1368-S1371 WeakPolarHBondContact CA-OG 3.46Å; D1368-S1371 PolarHBondContact O-N 3Å; D1368-S1371 PolarHBondContact O-OG 3.27Å; S1371-W1374 WeakPolarHBondContact O-CB 3.3Å; S1371-W1374 PolarHBondContact O-N 3.09Å; S1371-W1374 VanDerWaalsContact O-N 3.14Å; S1371-E1375 PolarHBondContact O-N 3.14Å |
| 1372 | K | 57.5 | Low | 58.2 | Low | 67 Ų | 67 | 55.9 Ų | 55.9 | 29% | 0.291 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -67.6 | -37.4 | 176.6 | -150.1 | 75.9 | -168.4 | 164.4 | 0 | 113.3 | S1342 D1368 Y1369 W1374 E1375 C1376 | S1342-K1372 WeakPolarHBondContact O-CE 3.47Å; S1342-K1372 PolarHBondContact O-NZ 3.25Å; D1368-K1372 WeakPolarHBondContact O-CB 3.34Å; D1368-K1372 PolarHBondContact O-N 2.77Å; Y1369-K1372 PolarHBondContact O-N 2.84Å; K1372-W1374 PolarHBondContact O-N 3.09Å; K1372-E1375 WeakPolarHBondContact CD-OE2 3.3Å; K1372-E1375 WeakPolarHBondContact CE-OE2 3.43Å; K1372-E1375 IonicContact NZ-OE2 2.72Å; K1372-E1375 PolarHBondContact NZ-OE2 2.87Å; K1372-E1375 PolarHBondContact O-N 2.81Å; K1372-C1376 WeakPolarHBondContact O-CB 3.38Å; K1372-C1376 PolarHBondContact O-N 3Å; K1372-C1376 PolarHBondContact O-SG 3.46Å |
| 1373 | A | 58.2 | Low | 56.1 | Low | 13 Ų | 13 | 57.8 Ų | 57.8 | 11% | 0.107 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.4 | -32 | 172 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y1369 L1370 N1378 L1379 | Y1369-A1373 WeakPolarHBondContact O-CB 3.49Å; Y1369-A1373 PolarHBondContact O-N 3.47Å; L1370-A1373 PolarHBondContact O-N 3.28Å; A1373-N1378 PolarHBondContact O-N 3.4Å; A1373-N1378 VanDerWaalsContact O-N 3.11Å; A1373-L1379 HydrophobicContact CB-CD1 4.03Å; A1373-L1379 HydrophobicContact CB-CG 4.09Å |
| 1374 | W | 50.4 | Low | 53.8 | Low | 160 Ų | 160 | 59.5 Ų | 59.5 | 61% | 0.606 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -74.1 | -45.6 | 176.1 | -145 | -45.6 | 0 | 0 | 0 | 111.9 | L1370 S1371 K1372 C1376 G1377 L1379 | L1370-W1374 WeakPolarHBondContact O-CB 3.3Å; L1370-W1374 PolarHBondContact O-N 3.36Å; S1371-W1374 WeakPolarHBondContact O-CB 3.3Å; S1371-W1374 PolarHBondContact O-N 3.09Å; S1371-W1374 VanDerWaalsContact O-N 3.14Å; K1372-W1374 PolarHBondContact O-N 3.09Å; W1374-C1376 VanDerWaalsContact C-N 3.26Å; W1374-C1376 PolarHBondContact O-N 2.82Å; W1374-G1377 PolarHBondContact O-N 2.83Å; W1374-L1379 HydrophobicContact CB-CD1 3.9Å; W1374-L1379 HydrophobicContact CD2-CD1 4.06Å; W1374-L1379 HydrophobicContact CE3-CD1 3.8Å; W1374-L1379 HydrophobicContact CG-CD1 4.14Å |
| 1375 | E | 48.5 | Very low | 51.9 | Low | 139 Ų | 139 | 59.2 Ų | 59.2 | 65% | 0.65 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -57.5 | -39.2 | 173.3 | -73.5 | -172.8 | 165.9 | 0 | 0 | 112.2 | S1371 K1372 G1377 | S1371-E1375 PolarHBondContact O-N 3.14Å; K1372-E1375 WeakPolarHBondContact CD-OE2 3.3Å; K1372-E1375 WeakPolarHBondContact CE-OE2 3.43Å; K1372-E1375 IonicContact NZ-OE2 2.72Å; K1372-E1375 PolarHBondContact NZ-OE2 2.87Å; K1372-E1375 PolarHBondContact O-N 2.81Å; E1375-G1377 PolarHBondContact O-N 3.16Å |
| 1376 | C | 47.5 | Very low | 49.9 | Very low | 64 Ų | 64 | 65.3 Ų | 65.3 | 43% | 0.432 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -7.2 | 176.7 | -69.8 | 0 | 0 | 0 | 0 | 114.2 | K1372 W1374 N1378 | K1372-C1376 WeakPolarHBondContact O-CB 3.38Å; K1372-C1376 PolarHBondContact O-N 3Å; K1372-C1376 PolarHBondContact O-SG 3.46Å; W1374-C1376 VanDerWaalsContact C-N 3.26Å; W1374-C1376 PolarHBondContact O-N 2.82Å; C1376-N1378 PolarHBondContact O-N 2.93Å |
| 1377 | G | 47.5 | Very low | 47.4 | Very low | 54 Ų | 54 | 74.4 Ų | 74.4 | 56% | 0.557 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.7 | 7.2 | -176 | 0 | 0 | 0 | 0 | 0 | 115 | W1374 E1375 | W1374-G1377 PolarHBondContact O-N 2.83Å; E1375-G1377 PolarHBondContact O-N 3.16Å |
| 1378 | N | 47 | Very low | 45.3 | Very low | 92 Ų | 92 | 77.4 Ų | 77.4 | 49% | 0.492 | 42% | 0.418 | S | S | . | . | trans | -87.1 | -2.2 | -173 | -70.7 | -20.1 | 0 | 0 | 0 | 113.9 | A1373 C1376 I1422 | A1373-N1378 PolarHBondContact O-N 3.4Å; A1373-N1378 VanDerWaalsContact O-N 3.11Å; C1376-N1378 PolarHBondContact O-N 2.93Å; N1378-I1422 WeakPolarHBondContact O-CD1 3.39Å | ||
| 1379 | L | 45.5 | Very low | 43.7 | Very low | 34 Ų | 34 | 85.5 Ų | 85.5 | 18% | 0.178 | 45% | 0.452 | C | S | . | . | trans | -95 | 119.8 | -178.8 | -104.5 | 171.6 | 0 | 0 | 0 | 111.9 | L1370 A1373 W1374 | L1370-L1379 HydrophobicContact CD2-CD1 4.31Å; L1370-L1379 WeakPolarHBondContact O-CD1 3.47Å; A1373-L1379 HydrophobicContact CB-CD1 4.03Å; A1373-L1379 HydrophobicContact CB-CG 4.09Å; W1374-L1379 HydrophobicContact CB-CD1 3.9Å; W1374-L1379 HydrophobicContact CD2-CD1 4.06Å; W1374-L1379 HydrophobicContact CE3-CD1 3.8Å; W1374-L1379 HydrophobicContact CG-CD1 4.14Å | ||
| 1380 | P | 44.8 | Very low | 41.8 | Very low | 29 Ų | 29 | 89.9 Ų | 89.9 | 19% | 0.188 | 48% | 0.482 | C | S | . | . | trans | -67 | 146.7 | 166.8 | 27.6 | -32.4 | 0 | 0 | 0 | 111.1 | M1382 V1420 | P1380-M1382 PolarHBondContact O-N 3.47Å; P1380-V1420 HydrophobicContact CB-CG1 4.04Å; P1380-V1420 HydrophobicContact CG-CG1 3.71Å | ||
| 1381 | L | 39.6 | Very low | 40.2 | Very low | 86 Ų | 86 | 95.3 Ų | 95.3 | 45% | 0.45 | 51% | 0.511 | S | S | . | . | trans | -71.9 | 83.7 | -169.2 | -167.7 | 81.7 | 0 | 0 | 0 | 113.5 | G1383 N1384 | L1381-G1383 PolarHBondContact O-N 2.98Å; L1381-N1384 HydrophobicContact CD2-CB 4.34Å | ||
| 1382 | M | 38.8 | Very low | 38.8 | Very low | 65 Ų | 65 | 97 Ų | 97 | 32% | 0.32 | 52% | 0.523 | S | S | . | . | trans | -54.4 | -33.5 | 179.5 | -75 | -71.8 | -77.5 | 0 | 0 | 114.4 | P1380 N1384 P1393 P1394 | P1380-M1382 PolarHBondContact O-N 3.47Å; M1382-N1384 VanDerWaalsContact C-N 3.26Å; M1382-N1384 PolarHBondContact O-N 2.92Å; M1382-P1393 HydrophobicContact CE-CB 4.13Å; M1382-P1394 HydrophobicContact CE-CG 3.85Å; M1382-P1394 WeakPolarHBondContact CE-O 3.38Å | ||
| 1383 | G | 32.9 | Very low | 37.8 | Very low | 58 Ų | 58 | 95.8 Ų | 95.8 | 60% | 0.598 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | 38.9 | -172.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | L1381 | L1381-G1383 PolarHBondContact O-N 2.98Š|
| 1384 | N | 26.2 | Very low | 37.3 | Very low | 81 Ų | 81 | 97.8 Ų | 97.8 | 43% | 0.433 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -150.5 | 17.2 | 178 | -122.1 | -95.5 | 0 | 0 | 0 | 116.9 | L1381 M1382 D1386 K1460 | L1381-N1384 HydrophobicContact CD2-CB 4.34Å; M1382-N1384 VanDerWaalsContact C-N 3.26Å; M1382-N1384 PolarHBondContact O-N 2.92Å; N1384-D1386 PolarHBondContact O-N 3.14Å; N1384-K1460 PolarHBondContact O-NZ 3.48Å; N1384-K1460 PolarHBondContact OD1-NZ 3.29Å |
| 1385 | L | 26.9 | Very low | 37.7 | Very low | 103 Ų | 103 | 92 Ų | 92 | 54% | 0.539 | 52% | 0.518 | S | S | . | . | trans | -82 | 17.6 | 177 | -122.7 | 77.8 | 0 | 0 | 0 | 114.6 | Q1387 P1393 | L1385-Q1387 PolarHBondContact O-N 2.71Å; L1385-P1393 HydrophobicContact CB-CB 4.23Å; L1385-P1393 HydrophobicContact CB-CG 3.93Å; L1385-P1393 HydrophobicContact CD2-CB 4.17Å | ||
| 1386 | D | 25.4 | Very low | 38.8 | Very low | 133 Ų | 133 | 87.2 Ų | 87.2 | 71% | 0.711 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | 85.6 | 174.9 | -71.4 | -42.5 | 0 | 0 | 0 | 112.3 | N1384 | N1384-D1386 PolarHBondContact O-N 3.14Š|
| 1387 | Q | 27.4 | Very low | 40 | Very low | 192 Ų | 192 | 84.4 Ų | 84.4 | 90% | 0.897 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 167.4 | 21.8 | 144.9 | -90.3 | 157.5 | 63.6 | 0 | 0 | 116.1 | L1385 | L1385-Q1387 PolarHBondContact O-N 2.71Š|
| 1388 | Q | 25.5 | Very low | 41.3 | Very low | 104 Ų | 104 | 84.1 Ų | 84.1 | 49% | 0.486 | 46% | 0.46 | S | S | . | . | trans | -106.8 | 133.4 | 161.6 | -67.8 | -160.2 | 2.1 | 0 | 0 | 111.3 | N1464 | Q1388-N1464 PolarHBondContact OE1-ND2 3.19Å; Q1388-N1464 VanDerWaalsContact OE1-ND2 3.11Å | ||
| 1389 | K | 29.3 | Very low | 42.4 | Very low | 211 Ų | 211 | 84 Ų | 84 | 92% | 0.917 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -110.6 | 24.7 | -159 | -146.2 | 178 | -173.9 | 176.5 | 0 | 114.7 | ||
| 1390 | T | 31 | Very low | 43.5 | Very low | 127 Ų | 127 | 85.8 Ų | 85.8 | 78% | 0.779 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -136.7 | -30.7 | 179.7 | 43.5 | 0 | 0 | 0 | 0 | 113.8 | ||
| 1391 | N | 33.8 | Very low | 44.6 | Very low | 133 Ų | 133 | 85.8 Ų | 85.8 | 71% | 0.711 | 47% | 0.471 | S | S | * | . | trans | -127.9 | 108 | 168.2 | -70.1 | -40.3 | 0 | 0 | 0 | 108.6 | ||||
| 1392 | S | 31.4 | Very low | 45.9 | Very low | 91 Ų | 91 | 86 Ų | 86 | 64% | 0.636 | 48% | 0.478 | S | S | * | . | trans | -64.6 | 154.7 | 164.7 | 47.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1393 | P | 37 | Very low | 47.3 | Very low | 42 Ų | 42 | 89.6 Ų | 89.6 | 27% | 0.273 | 50% | 0.498 | S | S | . | . | S | Bend | trans | -54.8 | 144.6 | 161.6 | 27.4 | -32.9 | 0 | 0 | 0 | 108 | M1382 L1385 S1395 | M1382-P1393 HydrophobicContact CE-CB 4.13Å; L1385-P1393 HydrophobicContact CB-CB 4.23Å; L1385-P1393 HydrophobicContact CB-CG 3.93Å; L1385-P1393 HydrophobicContact CD2-CB 4.17Å; P1393-S1395 PolarHBondContact O-N 3.35Å |
| 1394 | P | 47.5 | Very low | 49.1 | Very low | 55 Ų | 55 | 87.4 Ų | 87.4 | 36% | 0.357 | 47% | 0.473 | S | S | . | . | trans | -56.5 | 115.9 | -176.4 | 18.1 | -29 | 0 | 0 | 0 | 110 | M1382 L1396 T1578 | M1382-P1394 HydrophobicContact CE-CG 3.85Å; M1382-P1394 WeakPolarHBondContact CE-O 3.38Å; P1394-L1396 PolarHBondContact O-N 3.28Å; P1394-T1578 HydrophobicContact CB-CG2 3.57Å; P1394-T1578 HydrophobicContact CG-CG2 3.97Å | ||
| 1395 | S | 59.1 | Low | 51.2 | Low | 38 Ų | 38 | 85.6 Ų | 85.6 | 27% | 0.266 | 47% | 0.466 | S | S | . | . | trans | -66.3 | 116.4 | -179.7 | 50.6 | 0 | 0 | 0 | 0 | 108.6 | P1393 T1400 | P1393-S1395 PolarHBondContact O-N 3.35Å; S1395-T1400 VanDerWaalsContact CB-OG1 3.26Å; S1395-T1400 WeakPolarHBondContact CB-OG1 3.34Å; S1395-T1400 PolarHBondContact OG-OG1 2.97Å | ||
| 1396 | L | 71.7 | Confident | 53.1 | Low | 40 Ų | 40 | 85.5 Ų | 85.5 | 21% | 0.209 | 46% | 0.462 | C | S | . | . | trans | -53.1 | 141.5 | 173.2 | -61.1 | 175.2 | 0 | 0 | 0 | 109 | L1370 P1394 W1398 T1399 | L1370-L1396 HydrophobicContact CD1-CD1 4.02Å; L1370-L1396 HydrophobicContact CD1-CD2 3.67Å; L1370-L1396 HydrophobicContact CD1-CG 4.49Å; P1394-L1396 PolarHBondContact O-N 3.28Å; L1396-W1398 HydrophobicContact CB-CD2 4.18Å; L1396-W1398 HydrophobicContact CB-CE3 4.45Å; L1396-W1398 HydrophobicContact CB-CH2 4.32Å; L1396-W1398 HydrophobicContact CB-CZ2 4Å; L1396-W1398 HydrophobicContact CD1-CH2 4.38Å; L1396-W1398 HydrophobicContact CD1-CZ2 3.7Å; L1396-W1398 HydrophobicContact CG-CZ2 4.36Å; L1396-W1398 PolarHBondContact O-N 3.46Å; L1396-T1399 HydrophobicContact CB-CG2 4.32Å; L1396-T1399 PolarHBondContact N-OG1 3.45Å; L1396-T1399 PolarHBondContact O-N 2.99Å; L1396-T1399 PolarHBondContact O-OG1 3.17Å | ||
| 1397 | P | 71.8 | Confident | 55.5 | Low | 5 Ų | 5 | 80.3 Ų | 80.3 | 3% | 0.032 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -47.1 | -41.4 | -169.5 | -35 | 38.1 | 0 | 0 | 0 | 115.2 | T1400 W1401 L1404 I1575 V1577 | P1397-T1400 PolarHBondContact O-N 3.05Å; P1397-W1401 PolarHBondContact O-N 2.87Å; P1397-L1404 HydrophobicContact CB-CD2 3.61Å; P1397-I1575 HydrophobicContact CB-CG2 3.64Å; P1397-I1575 HydrophobicContact CG-CG2 3.61Å; P1397-V1577 HydrophobicContact CG-CG2 4Å |
| 1398 | W | 74.6 | Confident | 58.1 | Low | 47 Ų | 47 | 71.2 Ų | 71.2 | 18% | 0.178 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -77.6 | -13.7 | -179.7 | 57.4 | 92.2 | 0 | 0 | 0 | 115.5 | Y1363 H1366 Q1367 L1370 L1396 W1401 P1402 | Y1363-W1398 HydrophobicContact CD2-CD2 4.4Å; Y1363-W1398 AromaticContact CD2-CE3 3.72Å; Y1363-W1398 HydrophobicContact CD2-CE3 3.72Å; Y1363-W1398 HydrophobicContact CD2-CZ3 4.22Å; Y1363-W1398 HydrophobicContact CE2-CB 3.71Å; Y1363-W1398 AromaticContact CE2-CD2 3.73Å; Y1363-W1398 HydrophobicContact CE2-CD2 3.73Å; Y1363-W1398 AromaticContact CE2-CE3 3.52Å; Y1363-W1398 HydrophobicContact CE2-CE3 3.52Å; Y1363-W1398 AromaticContact CE2-CG 3.84Å; Y1363-W1398 HydrophobicContact CE2-CG 3.84Å; Y1363-W1398 HydrophobicContact CE2-CZ3 4.26Å; H1366-W1398 HydrophobicContact CB-CZ3 4.5Å; H1366-W1398 AromaticContact ND1-CZ3 3.55Å; Q1367-W1398 HydrophobicContact CG-CE3 4.37Å; Q1367-W1398 HydrophobicContact CG-CH2 3.88Å; Q1367-W1398 HydrophobicContact CG-CZ2 4.09Å; Q1367-W1398 HydrophobicContact CG-CZ3 4.03Å; L1370-W1398 HydrophobicContact CD1-CH2 3.8Å; L1370-W1398 HydrophobicContact CD1-CZ2 4.18Å; L1396-W1398 HydrophobicContact CB-CD2 4.18Å; L1396-W1398 HydrophobicContact CB-CE3 4.45Å; L1396-W1398 HydrophobicContact CB-CH2 4.32Å; L1396-W1398 HydrophobicContact CB-CZ2 4Å; L1396-W1398 HydrophobicContact CD1-CH2 4.38Å; L1396-W1398 HydrophobicContact CD1-CZ2 3.7Å; L1396-W1398 HydrophobicContact CG-CZ2 4.36Å; L1396-W1398 PolarHBondContact O-N 3.46Å; W1398-W1401 WeakPolarHBondContact CA-O 3.46Å; W1398-W1401 CarbonylContact O-C 3.55Å; W1398-P1402 VanDerWaalsContact O-CA 3.3Å; W1398-P1402 WeakPolarHBondContact O-CA 3.35Å |
| 1399 | T | 70.7 | Confident | 60.9 | Low | 89 Ų | 89 | 66.2 Ų | 66.2 | 55% | 0.546 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -81.5 | -24.2 | 171.7 | 67.8 | 0 | 0 | 0 | 0 | 112.1 | L1396 | L1396-T1399 HydrophobicContact CB-CG2 4.32Å; L1396-T1399 PolarHBondContact N-OG1 3.45Å; L1396-T1399 PolarHBondContact O-N 2.99Å; L1396-T1399 PolarHBondContact O-OG1 3.17Å |
| 1400 | T | 67.7 | Low | 63.6 | Low | 72 Ų | 72 | 56.2 Ų | 56.2 | 44% | 0.442 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -85.4 | -35.3 | 170.9 | -56.6 | 0 | 0 | 0 | 0 | 112 | S1395 P1397 | S1395-T1400 VanDerWaalsContact CB-OG1 3.26Å; S1395-T1400 WeakPolarHBondContact CB-OG1 3.34Å; S1395-T1400 PolarHBondContact OG-OG1 2.97Å; P1397-T1400 PolarHBondContact O-N 3.05Å |
| 1401 | W | 68.5 | Low | 66.3 | Low | 29 Ų | 29 | 51.4 Ų | 51.4 | 11% | 0.11 | 30% | 0.296 | C | S | . | . | trans | -137.2 | 92.8 | 179.2 | -179.4 | 9.7 | 0 | 0 | 0 | 110.3 | P1397 W1398 D1403 L1404 P1405 L1408 I1541 Y1570 P1571 I1575 | P1397-W1401 PolarHBondContact O-N 2.87Å; W1398-W1401 WeakPolarHBondContact CA-O 3.46Å; W1398-W1401 CarbonylContact O-C 3.55Å; W1401-D1403 PolarHBondContact NE1-O 3.38Å; W1401-D1403 PolarHBondContact O-N 3.27Å; W1401-L1404 HydrophobicContact CB-CD1 4.43Å; W1401-L1404 HydrophobicContact CD2-CD1 3.8Å; W1401-L1404 HydrophobicContact CE3-CD1 3.37Å; W1401-L1404 HydrophobicContact CG-CD1 4.29Å; W1401-L1404 HydrophobicContact CZ3-CD1 3.76Å; W1401-L1404 WeakPolarHBondContact O-CB 3.34Å; W1401-L1404 PolarHBondContact O-N 2.9Å; W1401-P1405 VanDerWaalsContact CH2-CD 3.42Å; W1401-P1405 HydrophobicContact CH2-CG 3.9Å; W1401-P1405 VanDerWaalsContact CZ2-CD 3.47Å; W1401-P1405 HydrophobicContact CZ2-CG 4.04Å; W1401-L1408 HydrophobicContact CH2-CD2 4.42Å; W1401-L1408 HydrophobicContact CZ3-CD1 4.09Å; W1401-I1541 HydrophobicContact CE3-CD1 4.49Å; W1401-I1541 HydrophobicContact CZ3-CD1 3.79Å; W1401-Y1570 AromaticContact CH2-CD1 3.3Å; W1401-Y1570 HydrophobicContact CH2-CD1 3.3Å; W1401-Y1570 AromaticContact CH2-CE1 3.65Å; W1401-Y1570 HydrophobicContact CH2-CE1 3.65Å; W1401-Y1570 HydrophobicContact CH2-CG 4.27Å; W1401-Y1570 AromaticContact CZ2-CD1 3.71Å; W1401-Y1570 HydrophobicContact CZ2-CD1 3.71Å; W1401-Y1570 HydrophobicContact CZ2-CE1 4.15Å; W1401-Y1570 HydrophobicContact CZ3-CD1 4.03Å; W1401-P1571 HydrophobicContact CB-CG 3.74Å; W1401-P1571 HydrophobicContact CD2-CG 3.84Å; W1401-P1571 HydrophobicContact CE3-CG 4.39Å; W1401-P1571 HydrophobicContact CG-CG 3.51Å; W1401-I1575 HydrophobicContact CE3-CD1 4.38Å; W1401-I1575 HydrophobicContact CZ3-CD1 4.36Å | ||
| 1402 | P | 67.7 | Low | 68.9 | Low | 91 Ų | 91 | 45.1 Ų | 45.1 | 59% | 0.591 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -60.5 | -40.7 | -176.1 | -27.6 | 36.6 | 0 | 0 | 0 | 114.3 | W1398 L1404 | W1398-P1402 VanDerWaalsContact O-CA 3.3Å; W1398-P1402 WeakPolarHBondContact O-CA 3.35Å; P1402-L1404 PolarHBondContact O-N 3.31Å |
| 1403 | D | 67.1 | Low | 71.5 | Confident | 141 Ų | 141 | 45 Ų | 45 | 75% | 0.754 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -79.9 | 46.8 | 178.1 | -55.9 | -39.1 | 0 | 0 | 0 | 112.1 | W1401 P1405 | W1401-D1403 PolarHBondContact NE1-O 3.38Å; W1401-D1403 PolarHBondContact O-N 3.27Å; D1403-P1405 WeakPolarHBondContact O-CD 3.49Å |
| 1404 | L | 71.2 | Confident | 73.8 | Confident | 12 Ų | 12 | 48 Ų | 48 | 6% | 0.063 | 26% | 0.26 | C | S | . | . | trans | -71.9 | 126.6 | -176.8 | -162.1 | 65.2 | 0 | 0 | 0 | 110.7 | Y1361 Y1363 P1397 W1401 P1402 L1408 I1575 | Y1361-L1404 HydrophobicContact CE1-CD2 4Å; Y1363-L1404 HydrophobicContact CD1-CB 4.42Å; Y1363-L1404 HydrophobicContact CD2-CD2 3.79Å; Y1363-L1404 HydrophobicContact CE2-CD2 4.4Å; Y1363-L1404 HydrophobicContact CG-CB 4.44Å; Y1363-L1404 HydrophobicContact CG-CD2 3.98Å; Y1363-L1404 HydrophobicContact CG-CG 4.44Å; P1397-L1404 HydrophobicContact CB-CD2 3.61Å; W1401-L1404 HydrophobicContact CB-CD1 4.43Å; W1401-L1404 HydrophobicContact CD2-CD1 3.8Å; W1401-L1404 HydrophobicContact CE3-CD1 3.37Å; W1401-L1404 HydrophobicContact CG-CD1 4.29Å; W1401-L1404 HydrophobicContact CZ3-CD1 3.76Å; W1401-L1404 WeakPolarHBondContact O-CB 3.34Å; W1401-L1404 PolarHBondContact O-N 2.9Å; P1402-L1404 PolarHBondContact O-N 3.31Å; L1404-L1408 HydrophobicContact CD1-CD1 3.72Å; L1404-L1408 HydrophobicContact CG-CD1 4.33Å; L1404-I1575 HydrophobicContact CD1-CD1 4.08Å | ||
| 1405 | P | 69.5 | Low | 75.7 | Confident | 43 Ų | 43 | 46.4 Ų | 46.4 | 28% | 0.279 | 25% | 0.248 | S | C | . | . | trans | -58.8 | 147.7 | 173.9 | -27 | 37 | 0 | 0 | 0 | 112.4 | W1401 D1403 F1407 L1408 | W1401-P1405 VanDerWaalsContact CH2-CD 3.42Å; W1401-P1405 HydrophobicContact CH2-CG 3.9Å; W1401-P1405 VanDerWaalsContact CZ2-CD 3.47Å; W1401-P1405 HydrophobicContact CZ2-CG 4.04Å; D1403-P1405 WeakPolarHBondContact O-CD 3.49Å; P1405-F1407 WeakPolarHBondContact CB-O 3.39Å; P1405-F1407 PolarHBondContact O-N 3.31Å; P1405-L1408 HydrophobicContact CB-CD2 4.02Å; P1405-L1408 HydrophobicContact CB-CG 4.31Å; P1405-L1408 HydrophobicContact CG-CD2 3.88Å; P1405-L1408 HydrophobicContact CG-CG 4.5Å | ||
| 1406 | Q | 67 | Low | 76.8 | Confident | 100 Ų | 100 | 46.6 Ų | 46.6 | 47% | 0.467 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -59.2 | -34.1 | -177 | -65.1 | -175.4 | 15.7 | 0 | 0 | 112.8 | L1362 Y1363 | L1362-Q1406 WeakPolarHBondContact CA-O 3.46Å; Y1363-Q1406 PolarHBondContact N-O 2.95Å |
| 1407 | F | 75.5 | Confident | 77.2 | Confident | 24 Ų | 24 | 46.7 Ų | 46.7 | 11% | 0.105 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 151.1 | 170.9 | 50.5 | -103.8 | 0 | 0 | 0 | 110.7 | V1360 Y1361 L1362 P1405 L1550 L1653 | V1360-F1407 HydrophobicContact CG1-CB 4.04Å; Y1361-F1407 CarbonylContact O-C 3.42Å; Y1361-F1407 VanDerWaalsContact O-CA 3.27Å; Y1361-F1407 WeakPolarHBondContact O-CA 3.43Å; L1362-F1407 HydrophobicContact CD2-CB 3.8Å; P1405-F1407 WeakPolarHBondContact CB-O 3.39Å; P1405-F1407 PolarHBondContact O-N 3.31Å; F1407-L1550 HydrophobicContact CE1-CB 4.48Å; F1407-L1550 HydrophobicContact CZ-CB 3.99Å; F1407-L1653 HydrophobicContact CD1-CD1 4.35Å; F1407-L1653 HydrophobicContact CE1-CD1 3.74Å |
| 1408 | L | 82.1 | Confident | 77.1 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 126.7 | 174.8 | -75.6 | 173.9 | 0 | 0 | 0 | 111.4 | V1360 Y1361 W1401 L1404 P1405 I1575 | V1360-L1408 WeakPolarHBondContact CA-O 3.45Å; Y1361-L1408 PolarHBondContact N-O 3.06Å; Y1361-L1408 PolarHBondContact O-N 2.51Å; W1401-L1408 HydrophobicContact CH2-CD2 4.42Å; W1401-L1408 HydrophobicContact CZ3-CD1 4.09Å; L1404-L1408 HydrophobicContact CD1-CD1 3.72Å; L1404-L1408 HydrophobicContact CG-CD1 4.33Å; P1405-L1408 HydrophobicContact CB-CD2 4.02Å; P1405-L1408 HydrophobicContact CB-CG 4.31Å; P1405-L1408 HydrophobicContact CG-CD2 3.88Å; P1405-L1408 HydrophobicContact CG-CG 4.5Å; L1408-I1575 HydrophobicContact CD1-CD1 3.46Å; L1408-I1575 VanDerWaalsContact CD1-CD1 3.46Å |
| 1409 | C | 84 | Confident | 76.8 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 118.8 | 168.9 | -60.8 | 0 | 0 | 0 | 0 | 110 | E1542 Q1545 | C1409-E1542 PolarHBondContact O-N 3.42Å; C1409-Q1545 PolarHBondContact O-NE2 2.83Å |
| 1410 | C | 87.7 | Confident | 76.4 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 162.7 | -175.7 | -64.8 | 0 | 0 | 0 | 0 | 112.3 | R1358 V1359 L1539 Q1540 | R1358-C1410 CarbonylContact C-O 3.5Å; R1358-C1410 WeakPolarHBondContact CA-O 3.48Å; V1359-C1410 HydrophobicContact CG2-CB 4.24Å; V1359-C1410 PolarHBondContact N-O 2.96Å; V1359-C1410 PolarHBondContact O-N 3.08Å; C1410-L1539 HydrophobicContact CB-CB 3.92Å; C1410-L1539 HydrophobicContact CB-CD1 4.3Å; C1410-Q1540 CarbonylContact C-O 3.53Å; C1410-Q1540 WeakPolarHBondContact CA-O 3.37Å; C1410-Q1540 WeakPolarHBondContact CB-O 3.33Å |
| 1411 | S | 86.9 | Confident | 75.7 | Confident | 26 Ų | 26 | 53.5 Ų | 53.5 | 18% | 0.182 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 141.3 | 164.3 | 57.6 | 0 | 0 | 0 | 0 | 111.9 | D1357 Q1413 L1539 Q1540 | D1357-S1411 CarbonylContact O-C 3.6Å; D1357-S1411 VanDerWaalsContact O-CA 3.24Å; D1357-S1411 WeakPolarHBondContact O-CA 3.45Å; S1411-Q1413 PolarHBondContact O-N 3.04Å; S1411-L1539 CarbonylContact O-C 3.53Å; S1411-L1539 WeakPolarHBondContact O-CA 3.49Å; S1411-Q1540 PolarHBondContact N-O 3.1Å; S1411-Q1540 PolarHBondContact O-N 2.75Å |
| 1412 | V | 89.1 | Confident | 74.8 | Confident | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.012 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 101.9 | 176.2 | -177.1 | 0 | 0 | 0 | 0 | 108.9 | G1356 D1357 V1359 I1415 L1537 L1539 | G1356-V1412 PolarHBondContact N-O 3.16Å; D1357-V1412 HydrophobicContact CB-CB 4.39Å; D1357-V1412 HydrophobicContact CB-CG2 3.99Å; D1357-V1412 PolarHBondContact O-N 3.12Å; V1359-V1412 HydrophobicContact CG1-CG2 4.39Å; V1359-V1412 HydrophobicContact CG2-CG2 4.36Å; V1412-I1415 HydrophobicContact CG1-CD1 4.24Å; V1412-I1415 HydrophobicContact CG1-CG1 3.77Å; V1412-L1537 HydrophobicContact CG1-CD2 4.25Å; V1412-L1539 HydrophobicContact CB-CD2 4.4Å; V1412-L1539 HydrophobicContact CG2-CD2 3.74Å |
| 1413 | Q | 85.8 | Confident | 73.7 | Confident | 87 Ų | 87 | 51.4 Ų | 51.4 | 41% | 0.407 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | -44 | 174.8 | -74.1 | -164.8 | -13.8 | 0 | 0 | 112 | T1355 S1411 E1538 Q1540 | T1355-Q1413 WeakPolarHBondContact CG2-O 3.42Å; S1411-Q1413 PolarHBondContact O-N 3.04Å; Q1413-E1538 PolarHBondContact N-O 3.42Å; Q1413-Q1540 HydrophobicContact CG-CB 3.8Å; Q1413-Q1540 VanDerWaalsContact NE2-CD 3.3Å |
| 1414 | K | 85.4 | Confident | 72.3 | Confident | 106 Ų | 106 | 48.4 Ų | 48.4 | 46% | 0.461 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 147.7 | -172.9 | -164.2 | -178.8 | -178.9 | -176.9 | 0 | 111 | E1538 | K1414-E1538 HydrophobicContact CB-CB 3.75Å; K1414-E1538 WeakPolarHBondContact CB-OE2 2.99Å; K1414-E1538 WeakPolarHBondContact CD-OE2 3.43Å; K1414-E1538 PolarHBondContact O-N 2.7Å |
| 1415 | I | 85.9 | Confident | 70.4 | Confident | 21 Ų | 21 | 54 Ų | 54 | 11% | 0.108 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 136.4 | 171.1 | -53.8 | -178.7 | 0 | 0 | 0 | 106.8 | P1353 T1355 V1412 Y1417 I1535 L1537 | P1353-I1415 HydrophobicContact CB-CD1 4.12Å; P1353-I1415 HydrophobicContact CG-CD1 4.2Å; P1353-I1415 WeakPolarHBondContact O-CD1 3.45Å; T1355-I1415 HydrophobicContact CG2-CD1 4.43Å; T1355-I1415 HydrophobicContact CG2-CG1 4.04Å; V1412-I1415 HydrophobicContact CG1-CD1 4.24Å; V1412-I1415 HydrophobicContact CG1-CG1 3.77Å; I1415-Y1417 HydrophobicContact CG2-CD2 4.46Å; I1415-Y1417 HydrophobicContact CG2-CE1 4.03Å; I1415-Y1417 HydrophobicContact CG2-CE2 3.85Å; I1415-I1535 HydrophobicContact CG2-CG2 4.02Å; I1415-L1537 HydrophobicContact CB-CD2 4.27Å; I1415-L1537 HydrophobicContact CD1-CD2 4.28Å; I1415-L1537 HydrophobicContact CG1-CD2 3.74Å; I1415-L1537 HydrophobicContact CG2-CD2 4.03Å |
| 1416 | T | 82.1 | Confident | 68.3 | Low | 42 Ų | 42 | 61.8 Ų | 61.8 | 26% | 0.258 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 134.1 | 175.8 | 19.3 | 0 | 0 | 0 | 0 | 109.5 | H1418 T1536 | T1416-H1418 VanDerWaalsContact CB-NE2 3.28Å; T1416-H1418 WeakPolarHBondContact CB-NE2 3.5Å; T1416-H1418 PolarHBondContact OG1-NE2 3.02Å; T1416-T1536 WeakPolarHBondContact CB-OG1 3.38Å; T1416-T1536 PolarHBondContact N-O 3.28Å; T1416-T1536 PolarHBondContact O-N 3.25Å; T1416-T1536 PolarHBondContact O-OG1 2.82Å; T1416-T1536 PolarHBondContact OG1-O 3.48Å; T1416-T1536 PolarHBondContact OG1-OG1 2.84Å |
| 1417 | Y | 80.3 | Confident | 66.3 | Low | 43 Ų | 43 | 66 Ų | 66 | 17% | 0.169 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 133.2 | -175.7 | -56.8 | -85.3 | 0 | 0 | 0 | 109.7 | I1415 I1535 Y1817 | I1415-Y1417 HydrophobicContact CG2-CD2 4.46Å; I1415-Y1417 HydrophobicContact CG2-CE1 4.03Å; I1415-Y1417 HydrophobicContact CG2-CE2 3.85Å; Y1417-I1535 HydrophobicContact CD1-CG1 3.74Å; Y1417-I1535 HydrophobicContact CE1-CD1 4.18Å; Y1417-I1535 HydrophobicContact CE1-CG1 3.8Å; Y1417-Y1817 HydrophobicContact CD1-CD2 4.25Å; Y1417-Y1817 HydrophobicContact CD2-CD2 4.28Å; Y1417-Y1817 AromaticContact CD2-CG 3.93Å; Y1417-Y1817 HydrophobicContact CD2-CG 3.93Å; Y1417-Y1817 AromaticContact CE1-CD2 3.75Å; Y1417-Y1817 HydrophobicContact CE1-CD2 3.75Å; Y1417-Y1817 HydrophobicContact CE1-CE2 4.16Å; Y1417-Y1817 HydrophobicContact CE1-CG 4.35Å; Y1417-Y1817 AromaticContact CE2-CD1 3.97Å; Y1417-Y1817 HydrophobicContact CE2-CD1 3.97Å; Y1417-Y1817 AromaticContact CE2-CD2 3.78Å; Y1417-Y1817 HydrophobicContact CE2-CD2 3.78Å; Y1417-Y1817 HydrophobicContact CE2-CE1 4.5Å; Y1417-Y1817 HydrophobicContact CE2-CE2 4.34Å; Y1417-Y1817 AromaticContact CE2-CG 3.56Å; Y1417-Y1817 HydrophobicContact CE2-CG 3.56Å; Y1417-Y1817 HydrophobicContact CG-CD2 4.49Å; Y1417-Y1817 HydrophobicContact CG-CG 4.46Å; Y1417-Y1817 AromaticContact CZ-CD2 3.48Å; Y1417-Y1817 VanDerWaalsContact CZ-CD2 3.48Å; Y1417-Y1817 AromaticContact CZ-CE2 3.75Å; Y1417-Y1817 AromaticContact CZ-CG 3.79Å; Y1417-Y1817 WeakPolarHBondContact OH-CE2 3.39Å |
| 1418 | H | 71.2 | Confident | 63.8 | Low | 104 Ų | 104 | 70.6 Ų | 70.6 | 48% | 0.481 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 151.7 | 177.9 | -48.7 | -97.2 | 0 | 0 | 0 | 109.5 | T1416 R1533 L1534 T1536 | T1416-H1418 VanDerWaalsContact CB-NE2 3.28Å; T1416-H1418 WeakPolarHBondContact CB-NE2 3.5Å; T1416-H1418 PolarHBondContact OG1-NE2 3.02Å; H1418-R1533 CarbonylContact O-C 3.54Å; H1418-R1533 VanDerWaalsContact O-CA 3.32Å; H1418-R1533 WeakPolarHBondContact O-CA 3.25Å; H1418-L1534 HydrophobicContact CB-CB 4.47Å; H1418-L1534 PolarHBondContact N-O 3.39Å; H1418-L1534 PolarHBondContact O-N 2.92Å; H1418-T1536 WeakPolarHBondContact NE2-CB 3.28Å; H1418-T1536 VanDerWaalsContact NE2-CG2 3.29Å; H1418-T1536 WeakPolarHBondContact NE2-CG2 3.31Å; H1418-T1536 PolarHBondContact NE2-OG1 2.73Å |
| 1419 | I | 67.9 | Low | 60.9 | Low | 60 Ų | 60 | 76 Ų | 76 | 31% | 0.308 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 126.2 | 166.9 | -70.4 | 169.5 | 0 | 0 | 0 | 107.4 | F1531 R1533 L1812 V1816 | I1419-F1531 HydrophobicContact CG2-CB 3.95Å; I1419-F1531 HydrophobicContact CG2-CD1 3.56Å; I1419-F1531 HydrophobicContact CG2-CE1 4.47Å; I1419-F1531 HydrophobicContact CG2-CG 4.14Å; I1419-R1533 HydrophobicContact CG1-CG 4.13Å; I1419-L1812 VanDerWaalsContact CD1-O 3.27Å; I1419-L1812 WeakPolarHBondContact CD1-O 3.43Å; I1419-V1816 HydrophobicContact CD1-CB 4.39Å; I1419-V1816 HydrophobicContact CD1-CG1 4.11Å; I1419-V1816 HydrophobicContact CD1-CG2 3.93Å; I1419-V1816 HydrophobicContact CG1-CB 4.32Å; I1419-V1816 HydrophobicContact CG1-CG1 3.69Å; I1419-V1816 HydrophobicContact CG1-CG2 3.81Å |
| 1420 | V | 62.1 | Low | 57.9 | Low | 46 Ų | 46 | 83.8 Ų | 83.8 | 28% | 0.279 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 132.9 | 175.4 | -176.4 | 0 | 0 | 0 | 0 | 109.9 | P1380 V1532 L1534 | P1380-V1420 HydrophobicContact CB-CG1 4.04Å; P1380-V1420 HydrophobicContact CG-CG1 3.71Å; V1420-V1532 PolarHBondContact N-O 2.79Å; V1420-V1532 PolarHBondContact O-N 3.05Å; V1420-L1534 HydrophobicContact CB-CD1 4.3Å; V1420-L1534 HydrophobicContact CB-CG 4.45Å; V1420-L1534 HydrophobicContact CG2-CD1 3.54Å; V1420-L1534 HydrophobicContact CG2-CG 3.95Å |
| 1421 | R | 53.2 | Low | 54.5 | Low | 145 Ų | 145 | 90.4 Ų | 90.4 | 55% | 0.547 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 124.4 | 174.1 | 176.7 | 178.9 | 169.1 | 175.7 | 3.6 | 109.6 | D1529 F1531 | R1421-D1529 HydrophobicContact CG-CB 4.11Å; R1421-D1529 VanDerWaalsContact CZ-CG 3.41Å; R1421-D1529 IonicContact CZ-OD1 2.7Å; R1421-D1529 IonicContact CZ-OD2 3.84Å; R1421-D1529 IonicContact NE-OD1 3.78Å; R1421-D1529 PolarHBondContact NE-OD1 2.79Å; R1421-D1529 IonicContact NE-OD2 2.73Å; R1421-D1529 IonicContact NH2-OD1 3.99Å; R1421-D1529 PolarHBondContact NH2-OD1 2.93Å; R1421-D1529 IonicContact NH2-OD2 2.71Å; R1421-D1529 PolarHBondContact NH2-OD2 2.75Å; R1421-F1531 HydrophobicContact CB-CD1 4.05Å; R1421-F1531 HydrophobicContact CB-CE1 3.81Å; R1421-F1531 HydrophobicContact CG-CE1 4.24Å |
| 1422 | I | 48.3 | Very low | 51.3 | Low | 22 Ų | 22 | 93.9 Ų | 93.9 | 11% | 0.113 | 51% | 0.506 | C | S | . | . | trans | -88.9 | 137 | 170.7 | -57.5 | 173.1 | 0 | 0 | 0 | 108.4 | N1378 S1530 V1532 | N1378-I1422 WeakPolarHBondContact O-CD1 3.39Å; I1422-S1530 PolarHBondContact N-O 2.75Å; I1422-V1532 HydrophobicContact CD1-CB 4.23Å; I1422-V1532 HydrophobicContact CD1-CG2 3.52Å; I1422-V1532 HydrophobicContact CG1-CG2 4.42Å | ||
| 1423 | A | 46.4 | Very low | 47.9 | Very low | 55 Ų | 55 | 104.8 Ų | 104.8 | 46% | 0.455 | 55% | 0.547 | S | S | . | . | trans | -136.1 | 122.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | N1425 | A1423-N1425 PolarHBondContact O-ND2 3.31Å; A1423-N1425 VanDerWaalsContact O-ND2 3.1Å | ||
| 1424 | G | 36.3 | Very low | 44.6 | Very low | 78 Ų | 78 | 105 Ų | 105 | 80% | 0.804 | 56% | 0.558 | S | S | * | * | trans | -62.5 | 138.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1425 | N | 32.5 | Very low | 41.3 | Very low | 130 Ų | 130 | 105.1 Ų | 105.1 | 70% | 0.695 | 57% | 0.572 | S | S | * | * | trans | -133.1 | 134.6 | -179.6 | -85.4 | -79.9 | 0 | 0 | 0 | 111.6 | A1423 | A1423-N1425 PolarHBondContact O-ND2 3.31Å; A1423-N1425 VanDerWaalsContact O-ND2 3.1Å | ||
| 1426 | Y | 25.3 | Very low | 38.2 | Very low | 205 Ų | 205 | 109.5 Ų | 109.5 | 80% | 0.804 | 61% | 0.605 | S | S | * | * | trans | -100.3 | 137.1 | 177.6 | -78.9 | -97.5 | 0 | 0 | 0 | 111.6 | ||||
| 1427 | Y | 24.4 | Very low | 35.2 | Very low | 188 Ų | 188 | 113 Ų | 113 | 74% | 0.737 | 63% | 0.631 | S | S | * | * | trans | -122.4 | 123.7 | 171.4 | -81.6 | -81 | 0 | 0 | 0 | 111.3 | ||||
| 1428 | P | 23.8 | Very low | 32.3 | Very low | 121 Ų | 121 | 116.6 Ų | 116.6 | 79% | 0.786 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 131.9 | 174 | 33.5 | -31.5 | 0 | 0 | 0 | 111.9 | ||
| 1429 | S | 20.6 | Very low | 29.8 | Very low | 114 Ų | 114 | 117.1 Ų | 117.1 | 80% | 0.797 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 145.1 | -179.6 | 52.3 | 0 | 0 | 0 | 0 | 113.3 | ||
| 1430 | N | 19.7 | Very low | 27.6 | Very low | 164 Ų | 164 | 118.7 Ų | 118.7 | 88% | 0.877 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -101.3 | 119.6 | 175.3 | -70.6 | -70.9 | 0 | 0 | 0 | 110.3 | ||
| 1431 | V | 18.1 | Very low | 25.7 | Very low | 139 Ų | 139 | 123.2 Ų | 123.2 | 84% | 0.842 | 73% | 0.728 | S | S | * | * | trans | -134.3 | 154 | 166.2 | -177.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1432 | S | 18.7 | Very low | 24.2 | Very low | 99 Ų | 99 | 124.6 Ų | 124.6 | 69% | 0.692 | 74% | 0.74 | S | S | * | * | trans | -91.2 | -176.2 | -168.1 | 61.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1433 | R | 17 | Very low | 22.8 | Very low | 231 Ų | 231 | 131.8 Ų | 131.8 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | trans | 95.6 | 151.5 | 174.7 | -60.5 | 175.7 | 178.9 | 178.9 | -0.6 | 115.3 | ||||
| 1434 | S | 16.6 | Very low | 21.5 | Very low | 91 Ų | 91 | 138 Ų | 138 | 64% | 0.636 | 79% | 0.794 | S | S | * | * | cis | 160.9 | 144.3 | -41.5 | 51.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1435 | S | 17.8 | Very low | 20.7 | Very low | 109 Ų | 109 | 144.2 Ų | 144.2 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | trans | 63 | 154.2 | 163.5 | 49.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1436 | S | 19.4 | Very low | 20.1 | Very low | 114 Ų | 114 | 146 Ų | 146 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | trans | 68.7 | 160.9 | 176 | 78.2 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1437 | S | 19.1 | Very low | 19.8 | Very low | 115 Ų | 115 | 141.8 Ų | 141.8 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | -171.8 | 101.3 | -78.6 | 46 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 1438 | S | 19.5 | Very low | 19.5 | Very low | 119 Ų | 119 | 144.8 Ų | 144.8 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | trans | -155.8 | 155.5 | 172.5 | 63.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1439 | S | 20.2 | Very low | 19.3 | Very low | 114 Ų | 114 | 147.4 Ų | 147.4 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | trans | -57 | 142.7 | 174.7 | 45.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1440 | A | 19.9 | Very low | 19.4 | Very low | 94 Ų | 94 | 151.5 Ų | 151.5 | 78% | 0.777 | 81% | 0.81 | S | S | * | * | cis | 110.2 | 28.9 | 16.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1441 | V | 22.5 | Very low | 19.4 | Very low | 141 Ų | 141 | 152.5 Ų | 152.5 | 86% | 0.855 | 81% | 0.814 | S | S | * | * | trans | -144.4 | 134.3 | 162 | 174.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1442 | H | 21.7 | Very low | 19.5 | Very low | 173 Ų | 173 | 151.5 Ų | 151.5 | 80% | 0.801 | 80% | 0.804 | S | S | * | * | S | Bend | cis | -144.2 | 28.5 | -29.5 | -159.5 | -67.9 | 0 | 0 | 0 | 110.6 | ||
| 1443 | L | 19 | Very low | 19.6 | Very low | 173 Ų | 173 | 153 Ų | 153 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | trans | -92.7 | 116.7 | 177.7 | -143.8 | 78.6 | 0 | 0 | 0 | 111.9 | K1445 | L1443-K1445 PolarHBondContact O-N 3.46Š| ||
| 1444 | K | 20.1 | Very low | 19.8 | Very low | 185 Ų | 185 | 151.5 Ų | 151.5 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | -37.4 | 101.8 | 178.7 | -60.2 | 167 | -179.5 | 174 | 0 | 113.5 | M1446 | K1444-M1446 PolarHBondContact O-N 2.82Š| ||
| 1445 | K | 18.1 | Very low | 20 | Very low | 210 Ų | 210 | 154.7 Ų | 154.7 | 91% | 0.913 | 82% | 0.818 | S | S | * | * | trans | -71.1 | 77.8 | 145.3 | -94.8 | -174.4 | 177.3 | 173.7 | 0 | 107.8 | L1443 T1447 | L1443-K1445 PolarHBondContact O-N 3.46Å; K1445-T1447 PolarHBondContact O-N 3.23Å; K1445-T1447 VanDerWaalsContact O-N 3.14Å | ||
| 1446 | M | 19.8 | Very low | 20.2 | Very low | 167 Ų | 167 | 156.7 Ų | 156.7 | 82% | 0.823 | 82% | 0.819 | S | S | * | * | trans | -63.6 | 116.1 | 168.7 | -145.7 | 170.1 | -173.1 | 0 | 0 | 107.1 | K1444 | K1444-M1446 PolarHBondContact O-N 2.82Š| ||
| 1447 | T | 19 | Very low | 20.1 | Very low | 117 Ų | 117 | 163 Ų | 163 | 72% | 0.718 | 83% | 0.826 | S | S | * | * | trans | -41.3 | 134.4 | -178.6 | 47.7 | 0 | 0 | 0 | 0 | 113.6 | K1445 K1449 | K1445-T1447 PolarHBondContact O-N 3.23Å; K1445-T1447 VanDerWaalsContact O-N 3.14Å; T1447-K1449 PolarHBondContact O-N 2.85Å | ||
| 1448 | R | 18.8 | Very low | 20.2 | Very low | 251 Ų | 251 | 165.8 Ų | 165.8 | 95% | 0.947 | 83% | 0.826 | S | S | * | * | trans | -27.4 | 116.5 | 163.3 | -69.4 | 170 | 167.1 | 168.1 | -7 | 113 | ||||
| 1449 | K | 20.5 | Very low | 20.4 | Very low | 176 Ų | 176 | 164.8 Ų | 164.8 | 77% | 0.765 | 82% | 0.819 | S | S | * | * | trans | -137.1 | 145.4 | 146.9 | -70.8 | -166.8 | 176.4 | -178.1 | 0 | 108.2 | T1447 | T1447-K1449 PolarHBondContact O-N 2.85Š| ||
| 1450 | Y | 21.1 | Very low | 20.4 | Very low | 199 Ų | 199 | 166.7 Ų | 166.7 | 78% | 0.78 | 81% | 0.813 | S | S | * | * | trans | 59.9 | 59.6 | 175.4 | -57.2 | -77.9 | 0 | 0 | 0 | 117.6 | N1452 | Y1450-N1452 HydrophobicContact CD1-CB 3.9Š| ||
| 1451 | L | 20.6 | Very low | 20.4 | Very low | 185 Ų | 185 | 169.6 Ų | 169.6 | 97% | 0.969 | 81% | 0.811 | S | S | * | * | -79.6 | 98.6 | 117 | -90.7 | 173.6 | 0 | 0 | 0 | 106.6 | |||||
| 1452 | N | 19.9 | Very low | 20.4 | Very low | 118 Ų | 118 | 170.3 Ų | 170.3 | 63% | 0.631 | 81% | 0.809 | S | S | * | * | trans | -149.2 | 110.6 | 165.8 | -148 | -28.6 | 0 | 0 | 0 | 109.5 | Y1450 K1454 | Y1450-N1452 HydrophobicContact CD1-CB 3.9Å; N1452-K1454 PolarHBondContact O-N 2.85Å | ||
| 1453 | T | 21 | Very low | 20.4 | Very low | 132 Ų | 132 | 167.9 Ų | 167.9 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | trans | -66.9 | 107.4 | -170.6 | 48 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1454 | K | 20.6 | Very low | 20.6 | Very low | 198 Ų | 198 | 164.9 Ų | 164.9 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | trans | -153.6 | 19 | 177.1 | -123.8 | 167.9 | -170.4 | -179.9 | 0 | 120.1 | N1452 | N1452-K1454 PolarHBondContact O-N 2.85Š| ||
| 1455 | L | 21.1 | Very low | 20.7 | Very low | 159 Ų | 159 | 162.2 Ų | 162.2 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -143.8 | 41.5 | 168.8 | -147.1 | 91.1 | 0 | 0 | 0 | 115.8 | ||
| 1456 | L | 21.7 | Very low | 20.9 | Very low | 150 Ų | 150 | 161.4 Ų | 161.4 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | -144.1 | 48 | 167 | -116.5 | 145.1 | 0 | 0 | 0 | 112.7 | ||||
| 1457 | R | 18.8 | Very low | 21 | Very low | 248 Ų | 248 | 161.2 Ų | 161.2 | 94% | 0.936 | 78% | 0.778 | S | S | * | * | trans | -115.1 | 73 | 157 | -81.9 | -169.7 | 173.9 | -168.2 | -0.8 | 108.7 | ||||
| 1458 | Q | 20.9 | Very low | 21.1 | Very low | 172 Ų | 172 | 164.1 Ų | 164.1 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -153.2 | -18 | 172.5 | -120.8 | 162.8 | -2.2 | 0 | 0 | 115.3 | ||
| 1459 | S | 22.2 | Very low | 21.1 | Very low | 99 Ų | 99 | 161.5 Ų | 161.5 | 69% | 0.692 | 78% | 0.784 | S | S | * | * | trans | -80.9 | -4.2 | 174.4 | 49.7 | 0 | 0 | 0 | 0 | 115.1 | Q1461 | S1459-Q1461 PolarHBondContact O-N 2.76Š| ||
| 1460 | K | 20.1 | Very low | 21 | Very low | 154 Ų | 154 | 160.3 Ų | 160.3 | 67% | 0.67 | 79% | 0.785 | S | S | * | * | trans | -77 | 68.6 | 166.4 | -86 | -149.3 | 178.3 | -164.4 | 0 | 110.9 | N1384 | N1384-K1460 PolarHBondContact O-NZ 3.48Å; N1384-K1460 PolarHBondContact OD1-NZ 3.29Å | ||
| 1461 | Q | 20.6 | Very low | 20.8 | Very low | 155 Ų | 155 | 155 Ų | 155 | 72% | 0.724 | 78% | 0.777 | S | S | * | * | trans | -131.9 | 86.1 | 155.8 | -81.7 | -164.8 | -25.7 | 0 | 0 | 109.3 | S1459 I1463 | S1459-Q1461 PolarHBondContact O-N 2.76Å; Q1461-I1463 HydrophobicContact CB-CG1 4.23Å; Q1461-I1463 PolarHBondContact O-N 2.77Å; Q1461-I1463 VanDerWaalsContact O-N 3.15Å | ||
| 1462 | L | 22 | Very low | 20.7 | Very low | 156 Ų | 156 | 156.2 Ų | 156.2 | 82% | 0.817 | 77% | 0.77 | S | S | * | * | trans | -76 | 93.4 | 163.1 | -160.4 | 85.9 | 0 | 0 | 0 | 107 | N1464 | L1462-N1464 PolarHBondContact O-N 2.81Š| ||
| 1463 | I | 21.3 | Very low | 20.7 | Very low | 122 Ų | 122 | 159.4 Ų | 159.4 | 63% | 0.626 | 78% | 0.781 | S | S | * | * | trans | -73.6 | 96.8 | -172.6 | -57.1 | 179.8 | 0 | 0 | 0 | 109.5 | Q1461 L1465 | Q1461-I1463 HydrophobicContact CB-CG1 4.23Å; Q1461-I1463 PolarHBondContact O-N 2.77Å; Q1461-I1463 VanDerWaalsContact O-N 3.15Å; I1463-L1465 HydrophobicContact CG2-CD2 3.78Å; I1463-L1465 HydrophobicContact CG2-CG 4.08Å; I1463-L1465 PolarHBondContact O-N 2.91Å | ||
| 1464 | N | 24.5 | Very low | 20.5 | Very low | 109 Ų | 109 | 161 Ų | 161 | 58% | 0.583 | 78% | 0.777 | S | S | * | * | trans | -80.1 | 95.7 | 172.1 | -168.4 | -1.4 | 0 | 0 | 0 | 108.9 | Q1388 L1462 K1466 | Q1388-N1464 PolarHBondContact OE1-ND2 3.19Å; Q1388-N1464 VanDerWaalsContact OE1-ND2 3.11Å; L1462-N1464 PolarHBondContact O-N 2.81Å; N1464-K1466 PolarHBondContact O-N 2.9Å | ||
| 1465 | L | 22.7 | Very low | 20.4 | Very low | 130 Ų | 130 | 158.5 Ų | 158.5 | 68% | 0.681 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | 84.4 | -173.8 | -71.5 | 169.5 | 0 | 0 | 0 | 112.2 | I1463 | I1463-L1465 HydrophobicContact CG2-CD2 3.78Å; I1463-L1465 HydrophobicContact CG2-CG 4.08Å; I1463-L1465 PolarHBondContact O-N 2.91Å |
| 1466 | K | 21.8 | Very low | 20.2 | Very low | 192 Ų | 192 | 157.5 Ų | 157.5 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -154.7 | -12.7 | 162.6 | -120.2 | 156.5 | -170.4 | 169.5 | 0 | 118.7 | N1464 | N1464-K1466 PolarHBondContact O-N 2.9Š|
| 1467 | D | 22.6 | Very low | 20 | Very low | 163 Ų | 163 | 159.4 Ų | 159.4 | 87% | 0.872 | 77% | 0.774 | S | S | * | * | trans | -131 | 101.7 | 176.9 | -86.1 | -57 | 0 | 0 | 0 | 112.4 | ||||
| 1468 | L | 21.2 | Very low | 20 | Very low | 178 Ų | 178 | 152.6 Ų | 152.6 | 93% | 0.932 | 77% | 0.771 | S | S | * | * | trans | -138.9 | 92.3 | 161.9 | -104.6 | 175.4 | 0 | 0 | 0 | 110.5 | ||||
| 1469 | K | 18 | Very low | 19.9 | Very low | 197 Ų | 197 | 150.3 Ų | 150.3 | 86% | 0.857 | 77% | 0.769 | S | S | * | * | trans | -147 | 150.6 | 161.7 | -104 | -173.5 | -180 | -177.7 | 0 | 110.2 | ||||
| 1470 | L | 18.8 | Very low | 19.7 | Very low | 150 Ų | 150 | 152.6 Ų | 152.6 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | 76.1 | 95.2 | 168.5 | -89.2 | 74.6 | 0 | 0 | 0 | 120.2 | ||||
| 1471 | S | 16.9 | Very low | 19.7 | Very low | 87 Ų | 87 | 153.5 Ų | 153.5 | 61% | 0.608 | 78% | 0.784 | S | S | * | * | 64.2 | 121.6 | 107 | 69 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 1472 | Y | 17 | Very low | 19.6 | Very low | 211 Ų | 211 | 152 Ų | 152 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | trans | 47.7 | 128.3 | 137.5 | -69.9 | -78.3 | 0 | 0 | 0 | 121.6 | ||||
| 1473 | H | 20 | Very low | 19.5 | Very low | 186 Ų | 186 | 149.7 Ų | 149.7 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | -165.3 | 176.5 | 104.9 | -116.4 | -93.7 | 0 | 0 | 0 | 113.8 | |||||
| 1474 | K | 18.5 | Very low | 19.4 | Very low | 166 Ų | 166 | 149.8 Ų | 149.8 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | trans | -101.3 | 155.4 | -162.1 | -64.8 | -175.3 | 176.1 | -174.1 | 0 | 116.8 | ||||
| 1475 | E | 16.8 | Very low | 19.1 | Very low | 145 Ų | 145 | 149.1 Ų | 149.1 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | trans | 18.1 | 136.3 | 140.8 | -56.8 | 177.5 | 95.1 | 0 | 0 | 121.7 | ||||
| 1476 | C | 18 | Very low | 18.9 | Very low | 137 Ų | 137 | 148.2 Ų | 148.2 | 93% | 0.926 | 80% | 0.797 | S | S | * | * | trans | -147.9 | 153.3 | 140.7 | -95.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1477 | K | 17.3 | Very low | 18.8 | Very low | 191 Ų | 191 | 145 Ų | 145 | 83% | 0.83 | 80% | 0.799 | S | S | * | * | trans | -124.1 | 142.3 | -179.8 | -58.5 | 170.5 | -176.3 | 171.1 | 0 | 109.8 | ||||
| 1478 | A | 18.7 | Very low | 18.7 | Very low | 105 Ų | 105 | 141.9 Ų | 141.9 | 87% | 0.868 | 79% | 0.79 | S | S | * | * | trans | -159.4 | 142.6 | 158.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1479 | T | 18.4 | Very low | 18.6 | Very low | 123 Ų | 123 | 139.4 Ų | 139.4 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | -105.5 | 159.5 | -166.9 | 40.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1480 | N | 18.8 | Very low | 18.6 | Very low | 148 Ų | 148 | 136.3 Ų | 136.3 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | trans | 64.9 | 137.6 | 145.7 | -61.3 | -7.4 | 0 | 0 | 0 | 122.5 | ||||
| 1481 | I | 20.7 | Very low | 18.6 | Very low | 172 Ų | 172 | 135.7 Ų | 135.7 | 88% | 0.882 | 78% | 0.783 | S | S | * | * | trans | -160.4 | 164.8 | 131.5 | -102.8 | 157.4 | 0 | 0 | 0 | 109 | ||||
| 1482 | T | 18 | Very low | 18.8 | Very low | 125 Ų | 125 | 137.8 Ų | 137.8 | 77% | 0.767 | 79% | 0.792 | S | S | * | * | trans | -114.8 | -168.7 | -159.5 | 50.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1483 | S | 19.4 | Very low | 18.9 | Very low | 107 Ų | 107 | 134 Ų | 134 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | 91.6 | 146.7 | 167.4 | 84.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1484 | T | 18.9 | Very low | 18.8 | Very low | 124 Ų | 124 | 131.5 Ų | 131.5 | 76% | 0.761 | 79% | 0.789 | S | S | * | * | cis | -161.8 | 159 | -13.2 | 9.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1485 | S | 19 | Very low | 18.9 | Very low | 95 Ų | 95 | 128 Ų | 128 | 66% | 0.664 | 79% | 0.791 | S | S | * | * | trans | 61.8 | 127.4 | 141.3 | 66.1 | 0 | 0 | 0 | 0 | 125 | ||||
| 1486 | S | 19 | Very low | 19 | Very low | 110 Ų | 110 | 128.5 Ų | 128.5 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | trans | 64.3 | 152.6 | 134 | 64.5 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1487 | S | 19.2 | Very low | 19 | Very low | 124 Ų | 124 | 125.8 Ų | 125.8 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | cis | -162.2 | -172.9 | -20.5 | 54.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1488 | S | 19.4 | Very low | 19 | Very low | 98 Ų | 98 | 122.9 Ų | 122.9 | 69% | 0.685 | 79% | 0.79 | S | S | * | * | trans | -121.6 | 163.6 | -153.3 | 64.6 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1489 | T | 18.8 | Very low | 19 | Very low | 127 Ų | 127 | 123 Ų | 123 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | trans | 65.7 | 124.2 | 146.4 | 43.1 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1490 | T | 19.3 | Very low | 19 | Very low | 131 Ų | 131 | 123 Ų | 123 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -152 | 121.9 | 155.6 | -0.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1491 | T | 19.2 | Very low | 19 | Very low | 137 Ų | 137 | 121.3 Ų | 121.3 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | trans | 53.8 | 145.6 | 144.1 | 48.6 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 1492 | T | 19.3 | Very low | 18.9 | Very low | 132 Ų | 132 | 118 Ų | 118 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | trans | -121.4 | 155.9 | 179.9 | 46.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1493 | T | 19.5 | Very low | 18.9 | Very low | 132 Ų | 132 | 117.2 Ų | 117.2 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | trans | -175.2 | 111 | 156.4 | 22.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1494 | T | 19.4 | Very low | 18.9 | Very low | 133 Ų | 133 | 118.2 Ų | 118.2 | 82% | 0.816 | 78% | 0.777 | S | S | * | * | 79 | 119.8 | 72.5 | 59.6 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 1495 | A | 19.7 | Very low | 19.1 | Very low | 92 Ų | 92 | 115.9 Ų | 115.9 | 76% | 0.76 | 76% | 0.76 | S | S | * | * | trans | -67.3 | 170.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1496 | T | 19.2 | Very low | 19.1 | Very low | 156 Ų | 156 | 115.3 Ų | 115.3 | 96% | 0.957 | 75% | 0.749 | S | S | * | * | -166.4 | 176.5 | 125 | 15.4 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 1497 | A | 17.5 | Very low | 19.2 | Very low | 79 Ų | 79 | 113.4 Ų | 113.4 | 65% | 0.653 | 74% | 0.735 | S | S | * | * | trans | -119.2 | 172 | -153.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1498 | T | 17.7 | Very low | 19.3 | Very low | 131 Ų | 131 | 113.1 Ų | 113.1 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | trans | 58 | 129.4 | 152.8 | 51.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1499 | S | 18.1 | Very low | 19.4 | Very low | 107 Ų | 107 | 116.6 Ų | 116.6 | 75% | 0.748 | 74% | 0.739 | S | S | * | * | 170.5 | 167.5 | 88.5 | 54.6 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 1500 | S | 19.2 | Very low | 19.4 | Very low | 122 Ų | 122 | 114.5 Ų | 114.5 | 85% | 0.853 | 74% | 0.735 | S | S | * | * | trans | 71.9 | 145 | 163.4 | 75.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1501 | S | 18 | Very low | 19.4 | Very low | 114 Ų | 114 | 113.8 Ų | 113.8 | 80% | 0.797 | 74% | 0.735 | S | S | * | * | trans | -128.9 | 160.8 | 179 | 54.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1502 | S | 18.8 | Very low | 19.4 | Very low | 103 Ų | 103 | 112.1 Ų | 112.1 | 72% | 0.72 | 73% | 0.725 | S | S | * | * | trans | -178.4 | 149.9 | 142.5 | 38.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1503 | C | 18.3 | Very low | 19.4 | Very low | 108 Ų | 108 | 111.3 Ų | 111.3 | 73% | 0.73 | 73% | 0.725 | S | S | * | * | trans | 46.2 | 143.3 | 144.5 | 75 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1504 | N | 20.3 | Very low | 19.4 | Very low | 128 Ų | 128 | 113.5 Ų | 113.5 | 68% | 0.684 | 72% | 0.723 | S | S | * | * | cis | -171.9 | 169.1 | -17.2 | -121.4 | 14.4 | 0 | 0 | 0 | 106 | ||||
| 1505 | N | 21.1 | Very low | 19.3 | Very low | 75 Ų | 75 | 110.3 Ų | 110.3 | 40% | 0.401 | 72% | 0.717 | S | S | . | * | trans | 57.8 | 113.2 | 142.9 | -64.3 | 18.2 | 0 | 0 | 0 | 116.3 | S967 S968 | S967-N1505 WeakPolarHBondContact CB-OD1 3.19Å; S967-N1505 WeakPolarHBondContact OG-CA 3.47Å; S967-N1505 PolarHBondContact OG-N 3.11Å; S967-N1505 PolarHBondContact OG-OD1 2.88Å; S968-N1505 WeakPolarHBondContact OG-CB 3.07Å; S968-N1505 PolarHBondContact OG-ND2 2.93Å | ||
| 1506 | N | 19.8 | Very low | 19.3 | Very low | 83 Ų | 83 | 115.8 Ų | 115.8 | 44% | 0.444 | 72% | 0.72 | S | S | . | * | -179.9 | 147.9 | 79.8 | -79.5 | -50 | 0 | 0 | 0 | 109.8 | S967 S968 S969 | S967-N1506 CarbonylContact O-C 3.54Å; S967-N1506 VanDerWaalsContact O-C 3.25Å; S967-N1506 WeakPolarHBondContact O-CA 3.23Å; S967-N1506 PolarHBondContact O-N 3.08Å; S968-N1506 VanDerWaalsContact CB-OD1 3.26Å; S968-N1506 WeakPolarHBondContact CB-OD1 3.08Å; S968-N1506 PolarHBondContact OG-OD1 2.85Å; S969-N1506 WeakPolarHBondContact CB-OD1 3.36Å; S969-N1506 PolarHBondContact N-OD1 2.91Å; S969-N1506 CarbonylContact O-C 3.58Å; S969-N1506 WeakPolarHBondContact O-CB 3.27Å; S969-N1506 PolarHBondContact OG-ND2 3.23Å; S969-N1506 PolarHBondContact OG-OD1 3.47Å | |||
| 1507 | C | 21.2 | Very low | 19.3 | Very low | 69 Ų | 69 | 112 Ų | 112 | 47% | 0.466 | 71% | 0.711 | S | S | . | * | trans | -91.2 | -148.6 | -172.6 | -63.3 | 0 | 0 | 0 | 0 | 114.6 | S967 S968 S969 | S967-C1507 PolarHBondContact O-N 2.88Å; S967-C1507 PolarHBondContact O-SG 2.78Å; S968-C1507 WeakPolarHBondContact O-CB 3.23Å; S968-C1507 PolarHBondContact O-N 2.88Å; S969-C1507 CarbonylContact O-C 3.5Å; S969-C1507 PolarHBondContact O-N 3.27Å | ||
| 1508 | P | 21.3 | Very low | 19.4 | Very low | 118 Ų | 118 | 114.9 Ų | 114.9 | 77% | 0.766 | 72% | 0.716 | S | S | * | * | -122.6 | 132.3 | -103.4 | 36.3 | -19.6 | 0 | 0 | 0 | 114.6 | |||||
| 1509 | I | 20.9 | Very low | 19.4 | Very low | 171 Ų | 171 | 113.7 Ų | 113.7 | 88% | 0.877 | 72% | 0.72 | S | S | * | * | trans | -75.8 | 139.9 | 170.4 | -68 | 175.7 | 0 | 0 | 0 | 110.2 | S1511 | I1509-S1511 PolarHBondContact O-N 2.99Š| ||
| 1510 | A | 19.4 | Very low | 19.5 | Very low | 83 Ų | 83 | 113.2 Ų | 113.2 | 69% | 0.686 | 72% | 0.716 | S | S | * | * | trans | -63.3 | 119.3 | -169.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | T1512 | A1510-T1512 VanDerWaalsContact C-N 3.31Å; A1510-T1512 PolarHBondContact O-N 3.39Å | ||
| 1511 | S | 20.4 | Very low | 19.5 | Very low | 117 Ų | 117 | 113.6 Ų | 113.6 | 82% | 0.818 | 71% | 0.713 | S | S | * | * | trans | -88.7 | 62.6 | 162.6 | 64.2 | 0 | 0 | 0 | 0 | 111.3 | I1509 S1513 | I1509-S1511 PolarHBondContact O-N 2.99Å; S1511-S1513 VanDerWaalsContact C-N 3.34Å; S1511-S1513 PolarHBondContact O-N 3.05Å | ||
| 1512 | T | 18.5 | Very low | 19.5 | Very low | 102 Ų | 102 | 112.7 Ų | 112.7 | 63% | 0.626 | 71% | 0.707 | S | S | * | * | trans | -72.9 | 98.5 | 151.7 | 45.5 | 0 | 0 | 0 | 0 | 106.9 | A1510 F1514 | A1510-T1512 VanDerWaalsContact C-N 3.31Å; A1510-T1512 PolarHBondContact O-N 3.39Å; T1512-F1514 VanDerWaalsContact C-N 3.34Å; T1512-F1514 PolarHBondContact O-N 2.81Å | ||
| 1513 | S | 19 | Very low | 19.6 | Very low | 115 Ų | 115 | 114.2 Ų | 114.2 | 80% | 0.804 | 71% | 0.707 | S | S | * | * | trans | -64.4 | 93.1 | 176.4 | 53.4 | 0 | 0 | 0 | 0 | 109.9 | S1511 G1515 | S1511-S1513 VanDerWaalsContact C-N 3.34Å; S1511-S1513 PolarHBondContact O-N 3.05Å; S1513-G1515 PolarHBondContact O-N 3Å | ||
| 1514 | F | 18.6 | Very low | 19.7 | Very low | 177 Ų | 177 | 114.8 Ų | 114.8 | 78% | 0.776 | 71% | 0.712 | S | S | * | * | trans | -59.2 | 107.2 | 170.9 | -98.5 | -95.3 | 0 | 0 | 0 | 109 | T1512 Y1516 | T1512-F1514 VanDerWaalsContact C-N 3.34Å; T1512-F1514 PolarHBondContact O-N 2.81Å; F1514-Y1516 VanDerWaalsContact C-N 3.31Å; F1514-Y1516 PolarHBondContact O-N 2.81Å | ||
| 1515 | G | 18.8 | Very low | 19.9 | Very low | 67 Ų | 67 | 111.9 Ų | 111.9 | 69% | 0.691 | 70% | 0.702 | S | S | * | * | trans | -69.7 | 88.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | S1513 G1517 | S1513-G1515 PolarHBondContact O-N 3Å; G1515-G1517 PolarHBondContact O-N 2.97Å | ||
| 1516 | Y | 19.6 | Very low | 20.2 | Very low | 206 Ų | 206 | 116.5 Ų | 116.5 | 81% | 0.808 | 73% | 0.726 | S | S | * | * | trans | -61.3 | 100.3 | 171.1 | -102.2 | -88.9 | 0 | 0 | 0 | 109.6 | F1514 N1518 | F1514-Y1516 VanDerWaalsContact C-N 3.31Å; F1514-Y1516 PolarHBondContact O-N 2.81Å; Y1516-N1518 PolarHBondContact O-N 2.85Å | ||
| 1517 | G | 18.4 | Very low | 20.6 | Very low | 76 Ų | 76 | 118.6 Ų | 118.6 | 78% | 0.784 | 74% | 0.738 | S | S | * | * | trans | -71.2 | 75.8 | 171 | 0 | 0 | 0 | 0 | 0 | 110.8 | G1515 A1519 | G1515-G1517 PolarHBondContact O-N 2.97Å; G1517-A1519 PolarHBondContact O-N 3.4Å | ||
| 1518 | N | 19.9 | Very low | 21.1 | Very low | 140 Ų | 140 | 118.3 Ų | 118.3 | 75% | 0.749 | 75% | 0.746 | S | S | * | * | trans | -67.3 | 121.1 | 166.2 | -92.6 | 3 | 0 | 0 | 0 | 109.2 | Y1516 S1520 | Y1516-N1518 PolarHBondContact O-N 2.85Å; N1518-S1520 PolarHBondContact O-N 2.94Å | ||
| 1519 | A | 18.6 | Very low | 21.8 | Very low | 107 Ų | 107 | 116.2 Ų | 116.2 | 88% | 0.884 | 73% | 0.728 | S | S | * | * | trans | -76 | 114.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | G1517 | G1517-A1519 PolarHBondContact O-N 3.4Š| ||
| 1520 | S | 18.9 | Very low | 22.8 | Very low | 97 Ų | 97 | 110.8 Ų | 110.8 | 68% | 0.678 | 71% | 0.706 | S | S | * | * | trans | -145.7 | 112.8 | 168.7 | 60.2 | 0 | 0 | 0 | 0 | 111.6 | N1518 | N1518-S1520 PolarHBondContact O-N 2.94Š| ||
| 1521 | T | 19.2 | Very low | 24.6 | Very low | 129 Ų | 129 | 112.3 Ų | 112.3 | 79% | 0.791 | 70% | 0.697 | S | S | * | * | trans | 40.8 | 109.2 | 145.8 | 55.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1522 | S | 19.3 | Very low | 26.7 | Very low | 96 Ų | 96 | 108.4 Ų | 108.4 | 67% | 0.671 | 67% | 0.668 | S | S | * | * | trans | -73.8 | 119.3 | 145.4 | 51.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1523 | L | 20.6 | Very low | 29 | Very low | 134 Ų | 134 | 109.7 Ų | 109.7 | 70% | 0.702 | 66% | 0.662 | S | S | * | * | trans | -141.7 | 108 | 159.3 | -135.8 | 101.9 | 0 | 0 | 0 | 108.7 | ||||
| 1524 | S | 20.7 | Very low | 31.7 | Very low | 121 Ų | 121 | 105.3 Ų | 105.3 | 85% | 0.846 | 63% | 0.629 | S | S | * | * | trans | -163 | 41.1 | 171.5 | 71.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1525 | S | 24.6 | Very low | 34.5 | Very low | 67 Ų | 67 | 97.1 Ų | 97.1 | 47% | 0.469 | 59% | 0.593 | S | S | . | * | trans | -87.2 | 117.2 | 153.7 | 39.7 | 0 | 0 | 0 | 0 | 106 | D1527 | S1525-D1527 VanDerWaalsContact CB-OD2 3.23Å; S1525-D1527 WeakPolarHBondContact CB-OD2 3.36Å; S1525-D1527 PolarHBondContact O-N 3.39Å; S1525-D1527 PolarHBondContact OG-OD2 3.1Å | ||
| 1526 | D | 25.6 | Very low | 37.6 | Very low | 172 Ų | 172 | 94.4 Ų | 94.4 | 92% | 0.92 | 56% | 0.563 | S | S | * | * | trans | -75 | 77.9 | 163.4 | -77.9 | -33.5 | 0 | 0 | 0 | 107 | G1528 | D1526-G1528 PolarHBondContact O-N 3.27Š| ||
| 1527 | D | 29.8 | Very low | 40.8 | Very low | 127 Ų | 127 | 84.6 Ų | 84.6 | 68% | 0.679 | 53% | 0.525 | S | S | * | . | trans | -66.6 | 95.3 | -179 | -71.4 | -58.2 | 0 | 0 | 0 | 109.3 | S1525 | S1525-D1527 VanDerWaalsContact CB-OD2 3.23Å; S1525-D1527 WeakPolarHBondContact CB-OD2 3.36Å; S1525-D1527 PolarHBondContact O-N 3.39Å; S1525-D1527 PolarHBondContact OG-OD2 3.1Å | ||
| 1528 | G | 31.3 | Very low | 44.2 | Very low | 63 Ų | 63 | 83.2 Ų | 83.2 | 65% | 0.649 | 50% | 0.498 | S | S | * | . | trans | -56.6 | 145.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | D1526 S1530 | D1526-G1528 PolarHBondContact O-N 3.27Å; G1528-S1530 PolarHBondContact O-N 3.23Å | ||
| 1529 | D | 35 | Very low | 47.5 | Very low | 73 Ų | 73 | 76.6 Ų | 76.6 | 39% | 0.39 | 46% | 0.463 | S | S | . | . | trans | -37.2 | 98.3 | -168.3 | -65 | -70 | 0 | 0 | 0 | 114.7 | R1421 | R1421-D1529 HydrophobicContact CG-CB 4.11Å; R1421-D1529 VanDerWaalsContact CZ-CG 3.41Å; R1421-D1529 IonicContact CZ-OD1 2.7Å; R1421-D1529 IonicContact CZ-OD2 3.84Å; R1421-D1529 IonicContact NE-OD1 3.78Å; R1421-D1529 PolarHBondContact NE-OD1 2.79Å; R1421-D1529 IonicContact NE-OD2 2.73Å; R1421-D1529 IonicContact NH2-OD1 3.99Å; R1421-D1529 PolarHBondContact NH2-OD1 2.93Å; R1421-D1529 IonicContact NH2-OD2 2.71Å; R1421-D1529 PolarHBondContact NH2-OD2 2.75Å | ||
| 1530 | S | 43.6 | Very low | 50.7 | Low | 57 Ų | 57 | 75 Ų | 75 | 40% | 0.399 | 44% | 0.437 | S | S | . | . | trans | -77.6 | 127.2 | 176.7 | 56.1 | 0 | 0 | 0 | 0 | 110 | I1422 G1528 | I1422-S1530 PolarHBondContact N-O 2.75Å; G1528-S1530 PolarHBondContact O-N 3.23Å | ||
| 1531 | F | 56.8 | Low | 53.9 | Low | 116 Ų | 116 | 70.5 Ų | 70.5 | 51% | 0.509 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 117.8 | 173.5 | -69.7 | -80.6 | 0 | 0 | 0 | 108.8 | I1419 R1421 F1813 | I1419-F1531 HydrophobicContact CG2-CB 3.95Å; I1419-F1531 HydrophobicContact CG2-CD1 3.56Å; I1419-F1531 HydrophobicContact CG2-CE1 4.47Å; I1419-F1531 HydrophobicContact CG2-CG 4.14Å; R1421-F1531 HydrophobicContact CB-CD1 4.05Å; R1421-F1531 HydrophobicContact CB-CE1 3.81Å; R1421-F1531 HydrophobicContact CG-CE1 4.24Å; F1531-F1813 HydrophobicContact CZ-CE1 4.48Å |
| 1532 | V | 63.1 | Low | 56.7 | Low | 34 Ų | 34 | 66.1 Ų | 66.1 | 21% | 0.206 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 132.4 | 175.8 | 176.7 | 0 | 0 | 0 | 0 | 108.7 | V1420 I1422 H1580 | V1420-V1532 PolarHBondContact N-O 2.79Å; V1420-V1532 PolarHBondContact O-N 3.05Å; I1422-V1532 HydrophobicContact CD1-CB 4.23Å; I1422-V1532 HydrophobicContact CD1-CG2 3.52Å; I1422-V1532 HydrophobicContact CG1-CG2 4.42Å; V1532-H1580 HydrophobicContact CG1-CB 3.86Å |
| 1533 | R | 68.3 | Low | 59.1 | Low | 129 Ų | 129 | 68.8 Ų | 68.8 | 49% | 0.487 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 132.2 | 170.7 | -80.7 | -173.6 | -114.9 | 128 | -7.8 | 108.7 | H1418 I1419 D1581 V1816 | H1418-R1533 CarbonylContact O-C 3.54Å; H1418-R1533 VanDerWaalsContact O-CA 3.32Å; H1418-R1533 WeakPolarHBondContact O-CA 3.25Å; I1419-R1533 HydrophobicContact CG1-CG 4.13Å; R1533-D1581 HydrophobicContact CB-CB 3.57Å; R1533-D1581 WeakPolarHBondContact CD-OD2 3.46Å; R1533-D1581 IonicContact CZ-OD2 3.82Å; R1533-D1581 IonicContact NE-OD2 3.87Å; R1533-D1581 IonicContact NH1-OD2 3.8Å; R1533-D1581 PolarHBondContact NH1-OD2 3.45Å; R1533-D1581 WeakPolarHBondContact O-CB 3.45Å; R1533-D1581 PolarHBondContact O-N 3.49Å; R1533-V1816 HydrophobicContact CG-CG1 3.84Å |
| 1534 | L | 75.1 | Confident | 61.4 | Low | 23 Ų | 23 | 69 Ų | 69 | 12% | 0.12 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 131.7 | 168.7 | -63.4 | -174 | 0 | 0 | 0 | 109 | H1418 V1420 Y1579 H1580 | H1418-L1534 HydrophobicContact CB-CB 4.47Å; H1418-L1534 PolarHBondContact N-O 3.39Å; H1418-L1534 PolarHBondContact O-N 2.92Å; V1420-L1534 HydrophobicContact CB-CD1 4.3Å; V1420-L1534 HydrophobicContact CB-CG 4.45Å; V1420-L1534 HydrophobicContact CG2-CD1 3.54Å; V1420-L1534 HydrophobicContact CG2-CG 3.95Å; L1534-Y1579 WeakPolarHBondContact CA-O 3.07Å; L1534-H1580 HydrophobicContact CD2-CB 4.24Å; L1534-H1580 WeakPolarHBondContact CD2-CD2 3.33Å |
| 1535 | I | 77.2 | Confident | 63.7 | Low | 6 Ų | 6 | 64.1 Ų | 64.1 | 3% | 0.031 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 129.9 | 167.5 | -68.1 | 163.2 | 0 | 0 | 0 | 108 | I1415 Y1417 L1537 T1578 Y1579 D1581 | I1415-I1535 HydrophobicContact CG2-CG2 4.02Å; Y1417-I1535 HydrophobicContact CD1-CG1 3.74Å; Y1417-I1535 HydrophobicContact CE1-CD1 4.18Å; Y1417-I1535 HydrophobicContact CE1-CG1 3.8Å; I1535-L1537 HydrophobicContact CG2-CD2 3.71Å; I1535-L1537 HydrophobicContact CG2-CG 4.1Å; I1535-T1578 WeakPolarHBondContact O-CA 3.33Å; I1535-Y1579 HydrophobicContact CB-CD2 4.5Å; I1535-Y1579 HydrophobicContact CB-CE1 4.04Å; I1535-Y1579 HydrophobicContact CB-CE2 3.83Å; I1535-Y1579 HydrophobicContact CD1-CE2 3.9Å; I1535-Y1579 HydrophobicContact CG1-CE2 4.4Å; I1535-Y1579 HydrophobicContact CG2-CE1 3.83Å; I1535-Y1579 HydrophobicContact CG2-CE2 4.34Å; I1535-Y1579 WeakPolarHBondContact CG2-OH 3.47Å; I1535-Y1579 PolarHBondContact N-O 3.22Å; I1535-Y1579 PolarHBondContact O-N 3.39Å; I1535-D1581 HydrophobicContact CD1-CB 3.83Å; I1535-D1581 WeakPolarHBondContact CD1-OD1 3.48Å; I1535-D1581 HydrophobicContact CG1-CB 4.03Å |
| 1536 | T | 84.7 | Confident | 65.5 | Low | 10 Ų | 10 | 64.1 Ų | 64.1 | 6% | 0.061 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 112.7 | 175.5 | 62.5 | 0 | 0 | 0 | 0 | 109.5 | T1416 H1418 V1577 T1578 | T1416-T1536 WeakPolarHBondContact CB-OG1 3.38Å; T1416-T1536 PolarHBondContact N-O 3.28Å; T1416-T1536 PolarHBondContact O-N 3.25Å; T1416-T1536 PolarHBondContact O-OG1 2.82Å; T1416-T1536 PolarHBondContact OG1-O 3.48Å; T1416-T1536 PolarHBondContact OG1-OG1 2.84Å; H1418-T1536 WeakPolarHBondContact NE2-CB 3.28Å; H1418-T1536 VanDerWaalsContact NE2-CG2 3.29Å; H1418-T1536 WeakPolarHBondContact NE2-CG2 3.31Å; H1418-T1536 PolarHBondContact NE2-OG1 2.73Å; T1536-V1577 CarbonylContact C-O 3.59Å; T1536-V1577 WeakPolarHBondContact CA-O 3.27Å; T1536-T1578 HydrophobicContact CG2-CG2 3.37Å |
| 1537 | L | 86.9 | Confident | 67.1 | Low | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 132.8 | -178.5 | -57.8 | -178.6 | 0 | 0 | 0 | 110.6 | P1353 V1412 I1415 I1535 L1539 H1576 V1577 Y1579 I1589 | P1353-L1537 HydrophobicContact CB-CD1 4.36Å; P1353-L1537 HydrophobicContact CB-CD2 4.1Å; P1353-L1537 HydrophobicContact CG-CD1 4.49Å; P1353-L1537 HydrophobicContact CG-CD2 3.92Å; V1412-L1537 HydrophobicContact CG1-CD2 4.25Å; I1415-L1537 HydrophobicContact CB-CD2 4.27Å; I1415-L1537 HydrophobicContact CD1-CD2 4.28Å; I1415-L1537 HydrophobicContact CG1-CD2 3.74Å; I1415-L1537 HydrophobicContact CG2-CD2 4.03Å; I1535-L1537 HydrophobicContact CG2-CD2 3.71Å; I1535-L1537 HydrophobicContact CG2-CG 4.1Å; L1537-L1539 HydrophobicContact CB-CD2 3.98Å; L1537-L1539 HydrophobicContact CB-CG 4.28Å; L1537-L1539 HydrophobicContact CD1-CD2 4.38Å; L1537-H1576 WeakPolarHBondContact O-CA 3.28Å; L1537-V1577 PolarHBondContact N-O 3.23Å; L1537-V1577 PolarHBondContact O-N 3.37Å; L1537-Y1579 HydrophobicContact CD1-CE1 3.88Å; L1537-Y1579 HydrophobicContact CG-CE1 4.02Å; L1537-I1589 HydrophobicContact CD1-CD1 3.83Å |
| 1538 | E | 88.2 | Confident | 68.1 | Low | 46 Ų | 46 | 56.5 Ų | 56.5 | 22% | 0.215 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 100.2 | 169.4 | -168.3 | 165.1 | -173.1 | 0 | 0 | 108.2 | Q1413 K1414 I1574 H1576 | Q1413-E1538 PolarHBondContact N-O 3.42Å; K1414-E1538 HydrophobicContact CB-CB 3.75Å; K1414-E1538 WeakPolarHBondContact CB-OE2 2.99Å; K1414-E1538 WeakPolarHBondContact CD-OE2 3.43Å; K1414-E1538 PolarHBondContact O-N 2.7Å; E1538-I1574 HydrophobicContact CG-CG2 3.54Å; E1538-H1576 IonicContact OE1-CE1 3.42Å |
| 1539 | L | 89.3 | Confident | 68.8 | Low | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 114.4 | -176.6 | -62.6 | -168.6 | 0 | 0 | 0 | 110.1 | V1359 Y1361 C1410 S1411 V1412 L1537 I1574 I1575 V1577 | V1359-L1539 HydrophobicContact CG2-CD1 4.48Å; V1359-L1539 HydrophobicContact CG2-CD2 4.11Å; Y1361-L1539 HydrophobicContact CD2-CD1 4.49Å; Y1361-L1539 HydrophobicContact CG-CD1 4.47Å; C1410-L1539 HydrophobicContact CB-CB 3.92Å; C1410-L1539 HydrophobicContact CB-CD1 4.3Å; S1411-L1539 CarbonylContact O-C 3.53Å; S1411-L1539 WeakPolarHBondContact O-CA 3.49Å; V1412-L1539 HydrophobicContact CB-CD2 4.4Å; V1412-L1539 HydrophobicContact CG2-CD2 3.74Å; L1537-L1539 HydrophobicContact CB-CD2 3.98Å; L1537-L1539 HydrophobicContact CB-CG 4.28Å; L1537-L1539 HydrophobicContact CD1-CD2 4.38Å; L1539-I1574 CarbonylContact O-C 3.48Å; L1539-I1574 WeakPolarHBondContact O-CA 3.23Å; L1539-I1575 PolarHBondContact N-O 2.82Å; L1539-I1575 PolarHBondContact O-N 3.11Å; L1539-V1577 HydrophobicContact CD1-CB 4.28Å; L1539-V1577 HydrophobicContact CD1-CG2 3.53Å; L1539-V1577 HydrophobicContact CG-CG2 4.15Å |
| 1540 | Q | 86.6 | Confident | 69.1 | Low | 73 Ų | 73 | 58.5 Ų | 58.5 | 34% | 0.341 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 125.8 | 168 | 177.2 | -178.8 | 12.2 | 0 | 0 | 109.5 | C1410 S1411 Q1413 N1573 | C1410-Q1540 CarbonylContact C-O 3.53Å; C1410-Q1540 WeakPolarHBondContact CA-O 3.37Å; C1410-Q1540 WeakPolarHBondContact CB-O 3.33Å; S1411-Q1540 PolarHBondContact N-O 3.1Å; S1411-Q1540 PolarHBondContact O-N 2.75Å; Q1413-Q1540 HydrophobicContact CG-CB 3.8Å; Q1413-Q1540 VanDerWaalsContact NE2-CD 3.3Å; Q1540-N1573 WeakPolarHBondContact CA-O 3.16Å |
| 1541 | I | 85.1 | Confident | 68.7 | Low | 4 Ų | 4 | 60.3 Ų | 60.3 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 130.9 | 174.7 | -52.5 | 171.4 | 0 | 0 | 0 | 108.9 | W1401 Y1570 S1572 N1573 I1575 | W1401-I1541 HydrophobicContact CE3-CD1 4.49Å; W1401-I1541 HydrophobicContact CZ3-CD1 3.79Å; I1541-Y1570 HydrophobicContact CG2-CE2 4.3Å; I1541-S1572 WeakPolarHBondContact CD1-O 3.15Å; I1541-N1573 PolarHBondContact N-O 3.23Å; I1541-I1575 HydrophobicContact CD1-CD1 3.82Å; I1541-I1575 HydrophobicContact CD1-CG1 4.1Å; I1541-I1575 HydrophobicContact CG1-CD1 3.95Å; I1541-I1575 HydrophobicContact CG1-CG1 4.24Å |
| 1542 | E | 79.2 | Confident | 67.4 | Low | 37 Ų | 37 | 58.4 Ų | 58.4 | 17% | 0.173 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -71 | 131.6 | 171.1 | -69.8 | -164.1 | -138.8 | 0 | 0 | 110.9 | R1358 C1409 N1544 Q1545 R1592 | R1358-E1542 IonicContact CZ-OE1 2.93Å; R1358-E1542 IonicContact NH1-OE1 3.35Å; R1358-E1542 PolarHBondContact NH1-OE1 2.92Å; R1358-E1542 IonicContact NH1-OE2 3.4Å; R1358-E1542 PolarHBondContact NH1-OE2 3.08Å; C1409-E1542 PolarHBondContact O-N 3.42Å; E1542-N1544 VanDerWaalsContact C-N 3.25Å; E1542-N1544 PolarHBondContact O-N 3.05Å; E1542-Q1545 PolarHBondContact O-NE2 2.86Å; E1542-R1592 IonicContact OE1-CZ 3.56Å; E1542-R1592 IonicContact OE1-NH1 3.8Å; E1542-R1592 PolarHBondContact OE1-NH1 3.05Å; E1542-R1592 IonicContact OE2-NH1 3.94Å; E1542-R1592 PolarHBondContact OE2-NH1 2.81Å |
| 1543 | E | 69.6 | Low | 65.7 | Low | 151 Ų | 151 | 59.6 Ų | 59.6 | 71% | 0.706 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -60 | -36.6 | -177.6 | -60.1 | -172 | 158.4 | 0 | 0 | 112.6 | Q1545 | E1543-Q1545 PolarHBondContact O-N 2.87Š|
| 1544 | N | 68.5 | Low | 63.7 | Low | 138 Ų | 138 | 63 Ų | 63 | 74% | 0.738 | 33% | 0.332 | S | S | * | . | trans | -95.4 | 85.7 | 174.9 | -71.8 | -22.2 | 0 | 0 | 0 | 110.2 | E1542 P1546 | E1542-N1544 VanDerWaalsContact C-N 3.25Å; E1542-N1544 PolarHBondContact O-N 3.05Å; N1544-P1546 VanDerWaalsContact O-CD 3.24Å; N1544-P1546 WeakPolarHBondContact O-CD 3.04Å | ||
| 1545 | Q | 69.8 | Low | 61.4 | Low | 20 Ų | 20 | 68.1 Ų | 68.1 | 9% | 0.093 | 36% | 0.364 | C | S | . | . | trans | -72.1 | 107.4 | 165.9 | -63.3 | -63.3 | -52.1 | 0 | 0 | 109.3 | C1409 E1542 E1543 Y1547 R1548 Y1570 | C1409-Q1545 PolarHBondContact O-NE2 2.83Å; E1542-Q1545 PolarHBondContact O-NE2 2.86Å; E1543-Q1545 PolarHBondContact O-N 2.87Å; Q1545-Y1547 VanDerWaalsContact C-N 3.31Å; Q1545-Y1547 PolarHBondContact O-N 3.01Å; Q1545-R1548 HydrophobicContact CB-CB 4.33Å; Q1545-Y1570 WeakPolarHBondContact CG-OH 3.18Å | ||
| 1546 | P | 61.6 | Low | 58.8 | Low | 67 Ų | 67 | 75.2 Ų | 75.2 | 44% | 0.435 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -29.7 | -175.1 | 31.1 | -36.4 | 0 | 0 | 0 | 112.2 | N1544 R1548 | N1544-P1546 VanDerWaalsContact O-CD 3.24Å; N1544-P1546 WeakPolarHBondContact O-CD 3.04Å; P1546-R1548 VanDerWaalsContact C-N 3.28Å; P1546-R1548 PolarHBondContact O-N 2.71Å |
| 1547 | Y | 58.9 | Low | 56 | Low | 36 Ų | 36 | 80.8 Ų | 80.8 | 14% | 0.141 | 44% | 0.437 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 9.9 | -174.3 | -55.4 | -53.7 | 0 | 0 | 0 | 113.8 | Q1545 N1549 L1550 F1595 D1596 L1599 | Q1545-Y1547 VanDerWaalsContact C-N 3.31Å; Q1545-Y1547 PolarHBondContact O-N 3.01Å; Y1547-N1549 PolarHBondContact O-N 2.83Å; Y1547-L1550 HydrophobicContact CD1-CD1 4.01Å; Y1547-L1550 HydrophobicContact CG-CD1 4.42Å; Y1547-L1550 WeakPolarHBondContact O-CB 3.26Å; Y1547-L1550 PolarHBondContact O-N 2.91Å; Y1547-F1595 HydrophobicContact CD2-CD1 4.42Å; Y1547-F1595 AromaticContact CD2-CE1 3.84Å; Y1547-F1595 HydrophobicContact CD2-CE1 3.84Å; Y1547-F1595 AromaticContact CE2-CD1 3.74Å; Y1547-F1595 HydrophobicContact CE2-CD1 3.74Å; Y1547-F1595 AromaticContact CE2-CE1 3.59Å; Y1547-F1595 HydrophobicContact CE2-CE1 3.59Å; Y1547-F1595 HydrophobicContact CG-CE1 4.48Å; Y1547-D1596 PolarHBondContact OH-OD1 3.34Å; Y1547-L1599 HydrophobicContact CD1-CD1 4.06Å; Y1547-L1599 HydrophobicContact CE1-CD1 3.39Å; Y1547-L1599 HydrophobicContact CE2-CD1 4.32Å |
| 1548 | R | 51.1 | Low | 53 | Low | 102 Ų | 102 | 90.2 Ų | 90.2 | 39% | 0.385 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -15.3 | -173 | -158.7 | 173.6 | -170.9 | 157.7 | 5.6 | 114.6 | Q1545 P1546 V1551 Y1570 | Q1545-R1548 HydrophobicContact CB-CB 4.33Å; P1546-R1548 VanDerWaalsContact C-N 3.28Å; P1546-R1548 PolarHBondContact O-N 2.71Å; R1548-V1551 WeakPolarHBondContact O-CG2 3.15Å; R1548-Y1570 PolarHBondContact NH1-OH 2.94Å |
| 1549 | N | 46.2 | Very low | 50.1 | Low | 144 Ų | 144 | 94.5 Ų | 94.5 | 77% | 0.77 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -6.3 | 176.6 | -68 | 1.9 | 0 | 0 | 0 | 113.9 | Y1547 V1551 | Y1547-N1549 PolarHBondContact O-N 2.83Å; N1549-V1551 PolarHBondContact O-N 2.81Å |
| 1550 | L | 41.6 | Very low | 46.9 | Very low | 35 Ų | 35 | 99.6 Ų | 99.6 | 18% | 0.183 | 54% | 0.541 | C | S | . | . | trans | -84.9 | 23.1 | 173.5 | -73.9 | 153.8 | 0 | 0 | 0 | 112.2 | F1407 Y1547 T1649 M1650 L1653 | F1407-L1550 HydrophobicContact CE1-CB 4.48Å; F1407-L1550 HydrophobicContact CZ-CB 3.99Å; Y1547-L1550 HydrophobicContact CD1-CD1 4.01Å; Y1547-L1550 HydrophobicContact CG-CD1 4.42Å; Y1547-L1550 WeakPolarHBondContact O-CB 3.26Å; Y1547-L1550 PolarHBondContact O-N 2.91Å; L1550-T1649 WeakPolarHBondContact CD2-O 3.44Å; L1550-M1650 HydrophobicContact CD2-SD 4.21Å; L1550-L1653 HydrophobicContact CB-CD1 4.23Å; L1550-L1653 HydrophobicContact CD1-CD1 4.07Å; L1550-L1653 HydrophobicContact CD1-CG 4.47Å; L1550-L1653 HydrophobicContact CD2-CD1 4.26Å; L1550-L1653 HydrophobicContact CG-CD1 4.43Å | ||
| 1551 | V | 35.5 | Very low | 44 | Very low | 94 Ų | 94 | 104.6 Ų | 104.6 | 57% | 0.57 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -98.4 | 127.7 | -179.1 | 178.5 | 0 | 0 | 0 | 0 | 109.2 | R1548 N1549 | R1548-V1551 WeakPolarHBondContact O-CG2 3.15Å; N1549-V1551 PolarHBondContact O-N 2.81Å |
| 1552 | C | 29.9 | Very low | 41.1 | Very low | 77 Ų | 77 | 113.4 Ų | 113.4 | 52% | 0.52 | 60% | 0.602 | S | S | . | * | trans | -31.8 | 129 | -173.8 | -173.4 | 0 | 0 | 0 | 0 | 115.2 | K1554 | C1552-K1554 PolarHBondContact O-N 2.95Š| ||
| 1553 | G | 26.4 | Very low | 38.3 | Very low | 58 Ų | 58 | 117.4 Ų | 117.4 | 60% | 0.598 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 127.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V1555 | G1553-V1555 PolarHBondContact O-N 3.11Š|
| 1554 | K | 26.5 | Very low | 36.1 | Very low | 201 Ų | 201 | 118 Ų | 118 | 87% | 0.874 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 127.9 | 171.2 | -74.3 | -168.8 | 172.2 | -170.9 | 0 | 110 | C1552 | C1552-K1554 PolarHBondContact O-N 2.95Š|
| 1555 | V | 26.9 | Very low | 34 | Very low | 130 Ų | 130 | 122.9 Ų | 122.9 | 79% | 0.788 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 136.4 | 174 | 177.1 | 0 | 0 | 0 | 0 | 110.4 | G1553 T1557 | G1553-V1555 PolarHBondContact O-N 3.11Å; V1555-T1557 PolarHBondContact O-N 3.28Å |
| 1556 | N | 23 | Very low | 32 | Very low | 156 Ų | 156 | 130.1 Ų | 130.1 | 83% | 0.834 | 68% | 0.679 | S | S | * | * | trans | -65.7 | 99.9 | 178.7 | -70.3 | -29.3 | 0 | 0 | 0 | 111.3 | ||||
| 1557 | T | 25.4 | Very low | 30.7 | Very low | 127 Ų | 127 | 136.2 Ų | 136.2 | 78% | 0.779 | 70% | 0.698 | S | S | * | * | trans | -105.3 | 109.9 | 154.1 | 49.8 | 0 | 0 | 0 | 0 | 108.8 | V1555 D1559 | V1555-T1557 PolarHBondContact O-N 3.28Å; T1557-D1559 PolarHBondContact O-N 2.84Å | ||
| 1558 | E | 24.1 | Very low | 29.8 | Very low | 197 Ų | 197 | 141.9 Ų | 141.9 | 92% | 0.921 | 73% | 0.726 | S | S | * | * | trans | -71.6 | 87.4 | 179 | -63.9 | -173.4 | 141.4 | 0 | 0 | 111 | ||||
| 1559 | D | 26.8 | Very low | 29.3 | Very low | 136 Ų | 136 | 145.9 Ų | 145.9 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | -140.5 | 105.1 | 166 | -143.8 | -31.3 | 0 | 0 | 0 | 111.6 | T1557 K1561 | T1557-D1559 PolarHBondContact O-N 2.84Å; D1559-K1561 PolarHBondContact O-N 2.86Å | ||
| 1560 | S | 21.7 | Very low | 29.7 | Very low | 108 Ų | 108 | 140.8 Ų | 140.8 | 76% | 0.755 | 72% | 0.719 | S | S | * | * | trans | -76.3 | 116.6 | -166.2 | 60 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1561 | K | 25.7 | Very low | 30.4 | Very low | 179 Ų | 179 | 143.2 Ų | 143.2 | 78% | 0.778 | 74% | 0.737 | S | S | * | * | trans | -147.6 | 144.7 | 149.7 | -90.8 | 109.3 | -164.2 | 166.2 | 0 | 111.2 | D1559 C1563 | D1559-K1561 PolarHBondContact O-N 2.86Å; K1561-C1563 PolarHBondContact O-N 3.26Å; K1561-C1563 VanDerWaalsContact O-N 3.14Å | ||
| 1562 | H | 23.9 | Very low | 31.6 | Very low | 189 Ų | 189 | 140.7 Ų | 140.7 | 88% | 0.875 | 72% | 0.724 | S | S | * | * | trans | -64.2 | 110.2 | 173.8 | -74.9 | -57.5 | 0 | 0 | 0 | 111.4 | ||||
| 1563 | C | 21.4 | Very low | 33.8 | Very low | 120 Ų | 120 | 140.5 Ų | 140.5 | 81% | 0.811 | 72% | 0.718 | S | S | * | * | trans | -102.1 | 121.4 | 150.9 | -70.7 | 0 | 0 | 0 | 0 | 107.6 | K1561 | K1561-C1563 PolarHBondContact O-N 3.26Å; K1561-C1563 VanDerWaalsContact O-N 3.14Å | ||
| 1564 | H | 23.8 | Very low | 36.5 | Very low | 165 Ų | 165 | 140.3 Ų | 140.3 | 76% | 0.764 | 70% | 0.702 | S | S | * | * | trans | -65.1 | 144.7 | 171.3 | -78.1 | -94.3 | 0 | 0 | 0 | 109.7 | E1566 | H1564-E1566 PolarHBondContact O-N 3.41Š| ||
| 1565 | Y | 24.8 | Very low | 39.2 | Very low | 239 Ų | 239 | 131.3 Ų | 131.3 | 94% | 0.937 | 66% | 0.663 | S | S | * | * | trans | -68.6 | 77.6 | 163.6 | -80.1 | -93.5 | 0 | 0 | 0 | 109.3 | K1567 | Y1565-K1567 PolarHBondContact O-N 2.84Š| ||
| 1566 | E | 26.6 | Very low | 41.9 | Very low | 172 Ų | 172 | 129 Ų | 129 | 80% | 0.804 | 64% | 0.644 | S | S | * | * | trans | -60.6 | 132.7 | 161.8 | -68.2 | -160.4 | 138.4 | 0 | 0 | 108.3 | H1564 Q1568 | H1564-E1566 PolarHBondContact O-N 3.41Å; E1566-Q1568 PolarHBondContact O-N 2.89Å | ||
| 1567 | K | 34.2 | Very low | 44.8 | Very low | 196 Ų | 196 | 121.5 Ų | 121.5 | 85% | 0.852 | 60% | 0.604 | S | S | * | * | trans | -61.6 | 109.1 | 174 | -67 | -179.5 | 178.1 | -175.8 | 0 | 107.3 | Y1565 Q1569 | Y1565-K1567 PolarHBondContact O-N 2.84Å; K1567-Q1569 VanDerWaalsContact C-N 3.33Å; K1567-Q1569 PolarHBondContact O-N 2.76Å | ||
| 1568 | Q | 39.7 | Very low | 47.4 | Very low | 154 Ų | 154 | 116.1 Ų | 116.1 | 72% | 0.72 | 57% | 0.571 | S | S | * | * | trans | -54.8 | 102.5 | 168.3 | -80.4 | -179.6 | -28.8 | 0 | 0 | 108.3 | E1566 Y1570 | E1566-Q1568 PolarHBondContact O-N 2.89Å; Q1568-Y1570 PolarHBondContact O-N 2.57Å | ||
| 1569 | Q | 42.4 | Very low | 49.8 | Very low | 186 Ų | 186 | 107.1 Ų | 107.1 | 87% | 0.869 | 53% | 0.528 | S | S | * | . | trans | -85 | 111.6 | -174.6 | -173.3 | 167.9 | -2.3 | 0 | 0 | 107 | K1567 | K1567-Q1569 VanDerWaalsContact C-N 3.33Å; K1567-Q1569 PolarHBondContact O-N 2.76Å | ||
| 1570 | Y | 52.9 | Low | 51.9 | Low | 38 Ų | 38 | 101.1 Ų | 101.1 | 15% | 0.149 | 50% | 0.496 | C | S | . | . | trans | -55.2 | 135.2 | -175.9 | -54.8 | -56.7 | 0 | 0 | 0 | 110.3 | W1401 I1541 Q1545 R1548 Q1568 S1572 | W1401-Y1570 AromaticContact CH2-CD1 3.3Å; W1401-Y1570 HydrophobicContact CH2-CD1 3.3Å; W1401-Y1570 AromaticContact CH2-CE1 3.65Å; W1401-Y1570 HydrophobicContact CH2-CE1 3.65Å; W1401-Y1570 HydrophobicContact CH2-CG 4.27Å; W1401-Y1570 AromaticContact CZ2-CD1 3.71Å; W1401-Y1570 HydrophobicContact CZ2-CD1 3.71Å; W1401-Y1570 HydrophobicContact CZ2-CE1 4.15Å; W1401-Y1570 HydrophobicContact CZ3-CD1 4.03Å; I1541-Y1570 HydrophobicContact CG2-CE2 4.3Å; Q1545-Y1570 WeakPolarHBondContact CG-OH 3.18Å; R1548-Y1570 PolarHBondContact NH1-OH 2.94Å; Q1568-Y1570 PolarHBondContact O-N 2.57Å; Y1570-S1572 PolarHBondContact O-N 3.18Å | ||
| 1571 | P | 56.8 | Low | 54 | Low | 85 Ų | 85 | 98.5 Ų | 98.5 | 55% | 0.552 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -63.7 | -29.1 | -174.9 | 24.9 | -33.6 | 0 | 0 | 0 | 112.2 | W1401 | W1401-P1571 HydrophobicContact CB-CG 3.74Å; W1401-P1571 HydrophobicContact CD2-CG 3.84Å; W1401-P1571 HydrophobicContact CE3-CG 4.39Å; W1401-P1571 HydrophobicContact CG-CG 3.51Å |
| 1572 | S | 61.9 | Low | 55.4 | Low | 41 Ų | 41 | 93 Ų | 93 | 29% | 0.287 | 46% | 0.455 | S | S | . | . | trans | -144 | 144.3 | 164.5 | 54.3 | 0 | 0 | 0 | 0 | 109.7 | I1541 Y1570 I1574 | I1541-S1572 WeakPolarHBondContact CD1-O 3.15Å; Y1570-S1572 PolarHBondContact O-N 3.18Å; S1572-I1574 WeakPolarHBondContact CB-O 3.42Å; S1572-I1574 PolarHBondContact O-N 3.05Å; S1572-I1574 PolarHBondContact OG-O 2.73Å | ||
| 1573 | N | 74.2 | Confident | 56.3 | Low | 74 Ų | 74 | 89.8 Ų | 89.8 | 40% | 0.396 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -78.4 | 3.1 | 170.4 | -75.6 | 11.9 | 0 | 0 | 0 | 112.6 | Q1540 I1541 | Q1540-N1573 WeakPolarHBondContact CA-O 3.16Å; I1541-N1573 PolarHBondContact N-O 3.23Å |
| 1574 | I | 83.1 | Confident | 57.5 | Low | 54 Ų | 54 | 84.5 Ų | 84.5 | 28% | 0.277 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 138 | -177.5 | -61.9 | 176.9 | 0 | 0 | 0 | 108.6 | E1538 L1539 S1572 | E1538-I1574 HydrophobicContact CG-CG2 3.54Å; L1539-I1574 CarbonylContact O-C 3.48Å; L1539-I1574 WeakPolarHBondContact O-CA 3.23Å; S1572-I1574 WeakPolarHBondContact CB-O 3.42Å; S1572-I1574 PolarHBondContact O-N 3.05Å; S1572-I1574 PolarHBondContact OG-O 2.73Å |
| 1575 | I | 85.1 | Confident | 58.4 | Low | 11 Ų | 11 | 79.4 Ų | 79.4 | 6% | 0.056 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 138.5 | 176.6 | -64.4 | 173 | 0 | 0 | 0 | 108.3 | P1397 W1401 L1404 L1408 L1539 I1541 V1577 | P1397-I1575 HydrophobicContact CB-CG2 3.64Å; P1397-I1575 HydrophobicContact CG-CG2 3.61Å; W1401-I1575 HydrophobicContact CE3-CD1 4.38Å; W1401-I1575 HydrophobicContact CZ3-CD1 4.36Å; L1404-I1575 HydrophobicContact CD1-CD1 4.08Å; L1408-I1575 HydrophobicContact CD1-CD1 3.46Å; L1408-I1575 VanDerWaalsContact CD1-CD1 3.46Å; L1539-I1575 PolarHBondContact N-O 2.82Å; L1539-I1575 PolarHBondContact O-N 3.11Å; I1541-I1575 HydrophobicContact CD1-CD1 3.82Å; I1541-I1575 HydrophobicContact CD1-CG1 4.1Å; I1541-I1575 HydrophobicContact CG1-CD1 3.95Å; I1541-I1575 HydrophobicContact CG1-CG1 4.24Å; I1575-V1577 HydrophobicContact CG2-CG2 4Å |
| 1576 | H | 83.1 | Confident | 59.7 | Low | 81 Ų | 81 | 68.6 Ų | 68.6 | 38% | 0.375 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 119.1 | 170.1 | -61.6 | -71.7 | 0 | 0 | 0 | 110.2 | L1537 E1538 | L1537-H1576 WeakPolarHBondContact O-CA 3.28Å; E1538-H1576 IonicContact OE1-CE1 3.42Å |
| 1577 | V | 83.5 | Confident | 61.2 | Low | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 128.5 | 176.8 | 178.5 | 0 | 0 | 0 | 0 | 108.6 | Y1361 P1397 T1536 L1537 L1539 I1575 F1588 I1589 | Y1361-V1577 HydrophobicContact CD2-CG1 4.17Å; Y1361-V1577 HydrophobicContact CD2-CG2 3.77Å; Y1361-V1577 HydrophobicContact CE2-CB 4.44Å; Y1361-V1577 HydrophobicContact CE2-CG1 3.84Å; Y1361-V1577 HydrophobicContact CE2-CG2 3.66Å; Y1361-V1577 HydrophobicContact CG-CG2 4.49Å; P1397-V1577 HydrophobicContact CG-CG2 4Å; T1536-V1577 CarbonylContact C-O 3.59Å; T1536-V1577 WeakPolarHBondContact CA-O 3.27Å; L1537-V1577 PolarHBondContact N-O 3.23Å; L1537-V1577 PolarHBondContact O-N 3.37Å; L1539-V1577 HydrophobicContact CD1-CB 4.28Å; L1539-V1577 HydrophobicContact CD1-CG2 3.53Å; L1539-V1577 HydrophobicContact CG-CG2 4.15Å; I1575-V1577 HydrophobicContact CG2-CG2 4Å; V1577-F1588 HydrophobicContact CG1-CE2 4.11Å; V1577-I1589 HydrophobicContact CG1-CD1 4.32Å |
| 1578 | T | 79.5 | Confident | 62.9 | Low | 13 Ų | 13 | 52.3 Ų | 52.3 | 8% | 0.08 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 118 | -168.8 | 62.7 | 0 | 0 | 0 | 0 | 111.6 | P1394 I1535 T1536 | P1394-T1578 HydrophobicContact CB-CG2 3.57Å; P1394-T1578 HydrophobicContact CG-CG2 3.97Å; I1535-T1578 WeakPolarHBondContact O-CA 3.33Å; T1536-T1578 HydrophobicContact CG2-CG2 3.37Å |
| 1579 | Y | 75.6 | Confident | 64.7 | Low | 8 Ų | 8 | 45.1 Ų | 45.1 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 168.7 | -174.3 | 65.4 | -92 | 0 | 0 | 0 | 111 | P1353 L1534 I1535 L1537 L1586 F1588 I1589 | P1353-Y1579 WeakPolarHBondContact CG-OH 3.43Å; L1534-Y1579 WeakPolarHBondContact CA-O 3.07Å; I1535-Y1579 HydrophobicContact CB-CD2 4.5Å; I1535-Y1579 HydrophobicContact CB-CE1 4.04Å; I1535-Y1579 HydrophobicContact CB-CE2 3.83Å; I1535-Y1579 HydrophobicContact CD1-CE2 3.9Å; I1535-Y1579 HydrophobicContact CG1-CE2 4.4Å; I1535-Y1579 HydrophobicContact CG2-CE1 3.83Å; I1535-Y1579 HydrophobicContact CG2-CE2 4.34Å; I1535-Y1579 WeakPolarHBondContact CG2-OH 3.47Å; I1535-Y1579 PolarHBondContact N-O 3.22Å; I1535-Y1579 PolarHBondContact O-N 3.39Å; L1537-Y1579 HydrophobicContact CD1-CE1 3.88Å; L1537-Y1579 HydrophobicContact CG-CE1 4.02Å; Y1579-L1586 HydrophobicContact CD1-CD1 4.21Å; Y1579-L1586 HydrophobicContact CD2-CD1 3.67Å; Y1579-L1586 HydrophobicContact CD2-CD2 3.94Å; Y1579-L1586 HydrophobicContact CD2-CG 4.47Å; Y1579-L1586 HydrophobicContact CE1-CD1 3.8Å; Y1579-L1586 HydrophobicContact CE2-CD1 3.25Å; Y1579-L1586 HydrophobicContact CE2-CD2 4.26Å; Y1579-L1586 HydrophobicContact CE2-CG 4.35Å; Y1579-L1586 HydrophobicContact CG-CD1 4.14Å; Y1579-L1586 HydrophobicContact CG-CD2 4.46Å; Y1579-F1588 HydrophobicContact CD1-CZ 4.48Å; Y1579-F1588 HydrophobicContact CG-CZ 4.26Å; Y1579-I1589 HydrophobicContact CD1-CD1 4.29Å; Y1579-I1589 HydrophobicContact CE1-CD1 3.99Å |
| 1580 | H | 70.2 | Confident | 66.1 | Low | 10 Ų | 10 | 37.3 Ų | 37.3 | 5% | 0.046 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 131.9 | 179.6 | -45.9 | 85.9 | 0 | 0 | 0 | 110.1 | Y1369 V1532 L1534 V1582 | Y1369-H1580 AromaticContact CE1-ND1 3.93Å; Y1369-H1580 AromaticContact CZ-ND1 3.78Å; Y1369-H1580 WeakPolarHBondContact OH-CB 3.42Å; Y1369-H1580 PolarHBondContact OH-N 2.73Å; Y1369-H1580 PolarHBondContact OH-ND1 2.87Å; Y1369-H1580 PolarHBondContact OH-O 3.18Å; V1532-H1580 HydrophobicContact CG1-CB 3.86Å; L1534-H1580 HydrophobicContact CD2-CB 4.24Å; L1534-H1580 WeakPolarHBondContact CD2-CD2 3.33Å; H1580-V1582 HydrophobicContact CB-CG2 3.71Å; H1580-V1582 PolarHBondContact O-N 2.82Å |
| 1581 | D | 66.8 | Low | 67.2 | Low | 53 Ų | 53 | 36.3 Ų | 36.3 | 28% | 0.283 | 20% | 0.2 | S | C | . | . | trans | -69.6 | 73.3 | 171 | -174.2 | 33.8 | 0 | 0 | 0 | 109.3 | R1533 I1535 | R1533-D1581 HydrophobicContact CB-CB 3.57Å; R1533-D1581 WeakPolarHBondContact CD-OD2 3.46Å; R1533-D1581 IonicContact CZ-OD2 3.82Å; R1533-D1581 IonicContact NE-OD2 3.87Å; R1533-D1581 IonicContact NH1-OD2 3.8Å; R1533-D1581 PolarHBondContact NH1-OD2 3.45Å; R1533-D1581 WeakPolarHBondContact O-CB 3.45Å; R1533-D1581 PolarHBondContact O-N 3.49Å; I1535-D1581 HydrophobicContact CD1-CB 3.83Å; I1535-D1581 WeakPolarHBondContact CD1-OD1 3.48Å; I1535-D1581 HydrophobicContact CG1-CB 4.03Å | ||
| 1582 | V | 53.5 | Low | 68.3 | Low | 63 Ų | 63 | 33.8 Ų | 33.8 | 38% | 0.382 | 18% | 0.18 | S | C | . | . | trans | -110.9 | 139.5 | 177.5 | 174.7 | 0 | 0 | 0 | 0 | 106.7 | P1346 H1580 G1584 | P1346-V1582 HydrophobicContact CB-CG1 4.31Å; H1580-V1582 HydrophobicContact CB-CG2 3.71Å; H1580-V1582 PolarHBondContact O-N 2.82Å; V1582-G1584 PolarHBondContact O-N 3.47Å | ||
| 1583 | D | 43.7 | Very low | 68.6 | Low | 122 Ų | 122 | 36.5 Ų | 36.5 | 65% | 0.652 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -49.7 | 99.1 | 163.7 | -70.3 | -41.3 | 0 | 0 | 0 | 110.2 | P1346 S1347 A1348 | P1346-D1583 CarbonylContact C-O 3.44Å; S1347-D1583 CarbonylContact C-O 3.58Å; S1347-D1583 WeakPolarHBondContact CA-O 3.42Å; S1347-D1583 PolarHBondContact N-O 2.84Å; A1348-D1583 VanDerWaalsContact CA-C 3.49Å; A1348-D1583 PolarHBondContact N-O 2.96Å |
| 1584 | G | 45.3 | Very low | 68.3 | Low | 9 Ų | 9 | 33.8 Ų | 33.8 | 9% | 0.093 | 17% | 0.169 | C | C | . | . | S | Bend | trans | 176.4 | 139.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | S1347 A1348 S1349 V1582 L1586 | S1347-G1584 VanDerWaalsContact C-CA 3.49Å; S1347-G1584 WeakPolarHBondContact O-CA 3.44Å; A1348-G1584 VanDerWaalsContact C-CA 3.41Å; A1348-G1584 VanDerWaalsContact C-N 3.28Å; S1349-G1584 VanDerWaalsContact CB-C 3.48Å; S1349-G1584 WeakPolarHBondContact CB-O 3.16Å; S1349-G1584 VanDerWaalsContact N-N 3.11Å; S1349-G1584 PolarHBondContact OG-O 3.25Å; V1582-G1584 PolarHBondContact O-N 3.47Å; G1584-L1586 PolarHBondContact O-N 3.01Å |
| 1585 | I | 43.2 | Very low | 67.7 | Low | 59 Ų | 59 | 31.4 Ų | 31.4 | 30% | 0.303 | 16% | 0.157 | S | C | . | . | trans | -56.3 | 128.3 | 169.8 | -61.1 | -177.8 | 0 | 0 | 0 | 108.3 | A1348 P1350 E1587 P1612 | A1348-I1585 PolarHBondContact O-N 3.06Å; P1350-I1585 HydrophobicContact CG-CD1 3.71Å; P1350-I1585 HydrophobicContact CG-CG1 3.68Å; I1585-E1587 PolarHBondContact O-N 2.92Å; I1585-E1587 VanDerWaalsContact O-N 3.14Å; I1585-P1612 HydrophobicContact CD1-CB 4.28Å; I1585-P1612 HydrophobicContact CD1-CG 4.13Å | ||
| 1586 | L | 52.7 | Low | 66.9 | Low | 12 Ų | 12 | 33.3 Ų | 33.3 | 6% | 0.063 | 17% | 0.167 | C | C | . | . | trans | -84.3 | 87.5 | 173.1 | -55.6 | 168.3 | 0 | 0 | 0 | 107.2 | Y1369 Y1579 G1584 F1588 I1589 | Y1369-L1586 HydrophobicContact CE2-CD2 4.48Å; Y1579-L1586 HydrophobicContact CD1-CD1 4.21Å; Y1579-L1586 HydrophobicContact CD2-CD1 3.67Å; Y1579-L1586 HydrophobicContact CD2-CD2 3.94Å; Y1579-L1586 HydrophobicContact CD2-CG 4.47Å; Y1579-L1586 HydrophobicContact CE1-CD1 3.8Å; Y1579-L1586 HydrophobicContact CE2-CD1 3.25Å; Y1579-L1586 HydrophobicContact CE2-CD2 4.26Å; Y1579-L1586 HydrophobicContact CE2-CG 4.35Å; Y1579-L1586 HydrophobicContact CG-CD1 4.14Å; Y1579-L1586 HydrophobicContact CG-CD2 4.46Å; G1584-L1586 PolarHBondContact O-N 3.01Å; L1586-F1588 HydrophobicContact CB-CD1 4.35Å; L1586-F1588 HydrophobicContact CB-CE1 4.06Å; L1586-F1588 HydrophobicContact CB-CZ 4.28Å; L1586-F1588 HydrophobicContact CD2-CE1 3.79Å; L1586-F1588 HydrophobicContact CD2-CZ 3.94Å; L1586-F1588 HydrophobicContact CG-CE1 4.47Å; L1586-F1588 HydrophobicContact CG-CZ 4.5Å; L1586-F1588 PolarHBondContact O-N 3.29Å; L1586-I1589 HydrophobicContact CB-CB 4.34Å; L1586-I1589 HydrophobicContact CB-CG1 4.29Å; L1586-I1589 HydrophobicContact CD1-CD1 4.1Å; L1586-I1589 CarbonylContact O-C 3.46Å; L1586-I1589 PolarHBondContact O-N 3.31Å | ||
| 1587 | E | 57.1 | Low | 66 | Low | 21 Ų | 21 | 31.8 Ų | 31.8 | 10% | 0.098 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -41.5 | -35.5 | 173.1 | -69.6 | -74.9 | 94.1 | 0 | 0 | 112.7 | W1340 L1341 I1585 I1589 I1590 | W1340-E1587 HydrophobicContact CH2-CG 3.94Å; W1340-E1587 HydrophobicContact CZ2-CG 3.56Å; W1340-E1587 VanDerWaalsContact CZ2-OE2 3.28Å; W1340-E1587 WeakPolarHBondContact CZ2-OE2 3.4Å; W1340-E1587 PolarHBondContact NE1-OE2 3.28Å; L1341-E1587 HydrophobicContact CD1-CB 4Å; L1341-E1587 HydrophobicContact CD1-CG 3.71Å; I1585-E1587 PolarHBondContact O-N 2.92Å; I1585-E1587 VanDerWaalsContact O-N 3.14Å; E1587-I1589 VanDerWaalsContact C-N 3.31Å; E1587-I1589 PolarHBondContact O-N 3.13Å; E1587-I1590 WeakPolarHBondContact O-CG1 3.26Å |
| 1588 | F | 71.9 | Confident | 65.1 | Low | 4 Ų | 4 | 32.2 Ų | 32.2 | 2% | 0.018 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 4.1 | -179.8 | 68.1 | -92.2 | 0 | 0 | 0 | 115.5 | Y1361 L1362 H1366 Y1369 V1577 Y1579 L1586 | Y1361-F1588 CarbonylContact C-O 3.58Å; Y1361-F1588 WeakPolarHBondContact CA-O 3.43Å; Y1361-F1588 HydrophobicContact CD2-CD2 4.36Å; Y1361-F1588 HydrophobicContact CE2-CD2 4.21Å; L1362-F1588 HydrophobicContact CB-CB 4.22Å; L1362-F1588 PolarHBondContact N-O 3.41Å; H1366-F1588 HydrophobicContact CB-CB 4.14Å; H1366-F1588 HydrophobicContact CB-CD1 4.48Å; H1366-F1588 HydrophobicContact CB-CD2 3.59Å; H1366-F1588 HydrophobicContact CB-CE2 4.07Å; H1366-F1588 HydrophobicContact CB-CG 3.83Å; H1366-F1588 AromaticContact CD2-CE2 3.56Å; H1366-F1588 AromaticContact CD2-CZ 3.74Å; H1366-F1588 AromaticContact CG-CD2 3.86Å; H1366-F1588 AromaticContact CG-CE2 3.81Å; Y1369-F1588 AromaticContact CD1-CE1 3.84Å; Y1369-F1588 HydrophobicContact CD1-CE1 3.84Å; Y1369-F1588 HydrophobicContact CD1-CZ 4.09Å; Y1369-F1588 AromaticContact CD2-CE1 3.93Å; Y1369-F1588 HydrophobicContact CD2-CE1 3.93Å; Y1369-F1588 HydrophobicContact CE1-CE1 4.42Å; Y1369-F1588 HydrophobicContact CE1-CZ 4.42Å; Y1369-F1588 HydrophobicContact CE2-CE1 4.48Å; Y1369-F1588 HydrophobicContact CG-CD1 4.29Å; Y1369-F1588 AromaticContact CG-CE1 3.57Å; Y1369-F1588 HydrophobicContact CG-CE1 3.57Å; Y1369-F1588 HydrophobicContact CG-CZ 4.29Å; V1577-F1588 HydrophobicContact CG1-CE2 4.11Å; Y1579-F1588 HydrophobicContact CD1-CZ 4.48Å; Y1579-F1588 HydrophobicContact CG-CZ 4.26Å; L1586-F1588 HydrophobicContact CB-CD1 4.35Å; L1586-F1588 HydrophobicContact CB-CE1 4.06Å; L1586-F1588 HydrophobicContact CB-CZ 4.28Å; L1586-F1588 HydrophobicContact CD2-CE1 3.79Å; L1586-F1588 HydrophobicContact CD2-CZ 3.94Å; L1586-F1588 HydrophobicContact CG-CE1 4.47Å; L1586-F1588 HydrophobicContact CG-CZ 4.5Å; L1586-F1588 PolarHBondContact O-N 3.29Å |
| 1589 | I | 76 | Confident | 64.3 | Low | 4 Ų | 4 | 33.1 Ų | 33.1 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 78.5 | 174.7 | -46.8 | -174.9 | 0 | 0 | 0 | 109.7 | Y1351 V1359 L1537 V1577 Y1579 L1586 E1587 | Y1351-I1589 HydrophobicContact CE1-CB 4.45Å; Y1351-I1589 HydrophobicContact CE1-CG2 3.92Å; V1359-I1589 HydrophobicContact CB-CG2 3.81Å; V1359-I1589 HydrophobicContact CG1-CG2 3.73Å; V1359-I1589 HydrophobicContact CG2-CG2 4.16Å; L1537-I1589 HydrophobicContact CD1-CD1 3.83Å; V1577-I1589 HydrophobicContact CG1-CD1 4.32Å; Y1579-I1589 HydrophobicContact CD1-CD1 4.29Å; Y1579-I1589 HydrophobicContact CE1-CD1 3.99Å; L1586-I1589 HydrophobicContact CB-CB 4.34Å; L1586-I1589 HydrophobicContact CB-CG1 4.29Å; L1586-I1589 HydrophobicContact CD1-CD1 4.1Å; L1586-I1589 CarbonylContact O-C 3.46Å; L1586-I1589 PolarHBondContact O-N 3.31Å; E1587-I1589 VanDerWaalsContact C-N 3.31Å; E1587-I1589 PolarHBondContact O-N 3.13Å |
| 1590 | I | 72.1 | Confident | 63.7 | Low | 21 Ų | 21 | 38.4 Ų | 38.4 | 11% | 0.108 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 136.1 | 178.5 | -54.8 | 177.9 | 0 | 0 | 0 | 109.1 | V1359 V1360 L1362 E1587 R1592 I1594 F1595 W1715 | V1359-I1590 CarbonylContact C-O 3.57Å; V1359-I1590 VanDerWaalsContact CA-O 3.26Å; V1359-I1590 WeakPolarHBondContact CA-O 3.42Å; V1360-I1590 PolarHBondContact N-O 2.67Å; V1360-I1590 PolarHBondContact O-N 2.79Å; L1362-I1590 HydrophobicContact CD1-CD1 4.14Å; E1587-I1590 WeakPolarHBondContact O-CG1 3.26Å; I1590-R1592 PolarHBondContact O-N 3.28Å; I1590-I1594 HydrophobicContact CG2-CB 4.37Å; I1590-F1595 HydrophobicContact CD1-CD2 4.17Å; I1590-F1595 HydrophobicContact CG2-CB 4.08Å; I1590-W1715 HydrophobicContact CD1-CB 4.49Å; I1590-W1715 HydrophobicContact CD1-CD2 4.25Å; I1590-W1715 HydrophobicContact CD1-CG 3.99Å |
| 1591 | L | 77.2 | Confident | 63.5 | Low | 17 Ų | 17 | 40.5 Ų | 40.5 | 9% | 0.089 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 123.7 | 171.3 | -88.7 | 168.2 | 0 | 0 | 0 | 109.5 | Y1351 D1357 V1359 R1593 I1594 F1595 Y1761 | Y1351-L1591 HydrophobicContact CD2-CD1 3.84Å; Y1351-L1591 HydrophobicContact CD2-CG 4.04Å; Y1351-L1591 HydrophobicContact CE2-CD1 3.74Å; Y1351-L1591 HydrophobicContact CE2-CD2 3.83Å; Y1351-L1591 HydrophobicContact CE2-CG 3.59Å; D1357-L1591 HydrophobicContact CB-CD2 4.24Å; V1359-L1591 HydrophobicContact CG1-CD2 4.37Å; L1591-R1593 VanDerWaalsContact C-N 3.26Å; L1591-R1593 PolarHBondContact O-N 3.33Å; L1591-R1593 VanDerWaalsContact O-N 3.1Å; L1591-I1594 HydrophobicContact CB-CD1 3.78Å; L1591-I1594 HydrophobicContact CB-CG1 4.07Å; L1591-I1594 HydrophobicContact CD1-CD1 4.4Å; L1591-I1594 VanDerWaalsContact O-CB 3.31Å; L1591-I1594 WeakPolarHBondContact O-CB 3.23Å; L1591-I1594 PolarHBondContact O-N 2.78Å; L1591-F1595 PolarHBondContact O-N 2.74Å; L1591-Y1761 HydrophobicContact CD1-CD1 3.69Å; L1591-Y1761 HydrophobicContact CD1-CE1 4.3Å |
| 1592 | R | 78.3 | Confident | 63.5 | Low | 33 Ų | 33 | 44.1 Ų | 44.1 | 13% | 0.125 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.7 | -37 | -166.7 | 178.8 | 174.2 | 167.7 | -173.3 | -2.3 | 113.2 | R1358 V1360 E1542 I1590 I1594 F1595 D1596 | R1358-R1592 HydrophobicContact CB-CB 4.03Å; R1358-R1592 WeakPolarHBondContact O-CB 3.45Å; R1358-R1592 PolarHBondContact O-N 3.32Å; V1360-R1592 HydrophobicContact CG2-CB 4.1Å; V1360-R1592 HydrophobicContact CG2-CG 4Å; E1542-R1592 IonicContact OE1-CZ 3.56Å; E1542-R1592 IonicContact OE1-NH1 3.8Å; E1542-R1592 PolarHBondContact OE1-NH1 3.05Å; E1542-R1592 IonicContact OE2-NH1 3.94Å; E1542-R1592 PolarHBondContact OE2-NH1 2.81Å; I1590-R1592 PolarHBondContact O-N 3.28Å; R1592-I1594 PolarHBondContact O-N 3.27Å; R1592-F1595 PolarHBondContact O-N 3.24Å; R1592-D1596 WeakPolarHBondContact CG-OD1 3.43Å; R1592-D1596 IonicContact CZ-OD2 3.19Å; R1592-D1596 IonicContact NE-OD1 3.47Å; R1592-D1596 PolarHBondContact NE-OD1 3.46Å; R1592-D1596 IonicContact NE-OD2 3.18Å; R1592-D1596 PolarHBondContact NE-OD2 2.87Å; R1592-D1596 IonicContact NH2-OD2 3.16Å; R1592-D1596 WeakPolarHBondContact O-CB 3.37Å; R1592-D1596 VanDerWaalsContact O-CG 3.29Å; R1592-D1596 PolarHBondContact O-N 3.45Å; R1592-D1596 VanDerWaalsContact O-OD1 3.09Å |
| 1593 | R | 68.9 | Low | 64.3 | Low | 97 Ų | 97 | 41.8 Ų | 41.8 | 37% | 0.366 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -60.6 | -27.9 | 177.1 | 176.8 | 172.8 | 164.8 | 177 | -11 | 113.3 | L1591 A1597 L1759 G1762 | L1591-R1593 VanDerWaalsContact C-N 3.26Å; L1591-R1593 PolarHBondContact O-N 3.33Å; L1591-R1593 VanDerWaalsContact O-N 3.1Å; R1593-A1597 WeakPolarHBondContact O-CB 3.46Å; R1593-A1597 PolarHBondContact O-N 2.73Å; R1593-A1597 VanDerWaalsContact O-N 3.17Å; R1593-L1759 PolarHBondContact NH2-O 3.31Å; R1593-L1759 VanDerWaalsContact NH2-O 3.13Å; R1593-G1762 PolarHBondContact NH1-O 2.79Å |
| 1594 | I | 67.7 | Low | 65.7 | Low | 17 Ų | 17 | 41.8 Ų | 41.8 | 9% | 0.087 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -75 | -49 | 177.2 | -54.2 | 176.3 | 0 | 0 | 0 | 108.9 | I1590 L1591 R1592 A1597 S1598 Y1718 Y1761 | I1590-I1594 HydrophobicContact CG2-CB 4.37Å; L1591-I1594 HydrophobicContact CB-CD1 3.78Å; L1591-I1594 HydrophobicContact CB-CG1 4.07Å; L1591-I1594 HydrophobicContact CD1-CD1 4.4Å; L1591-I1594 VanDerWaalsContact O-CB 3.31Å; L1591-I1594 WeakPolarHBondContact O-CB 3.23Å; L1591-I1594 PolarHBondContact O-N 2.78Å; R1592-I1594 PolarHBondContact O-N 3.27Å; I1594-A1597 WeakPolarHBondContact O-CB 3.43Å; I1594-A1597 PolarHBondContact O-N 2.89Å; I1594-A1597 VanDerWaalsContact O-N 3.1Å; I1594-S1598 PolarHBondContact O-N 3.29Å; I1594-S1598 PolarHBondContact O-OG 2.88Å; I1594-Y1718 HydrophobicContact CD1-CE1 3.98Å; I1594-Y1718 HydrophobicContact CG1-CE1 4.25Å; I1594-Y1718 HydrophobicContact CG2-CD1 4.5Å; I1594-Y1718 HydrophobicContact CG2-CE1 3.61Å; I1594-Y1761 HydrophobicContact CD1-CD1 4.37Å; I1594-Y1761 HydrophobicContact CD1-CE1 4.31Å |
| 1595 | F | 70.8 | Confident | 67.1 | Low | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.018 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.8 | -46.2 | 176 | -168.6 | -95.2 | 0 | 0 | 0 | 113 | V1360 Y1547 I1590 L1591 R1592 A1597 S1598 L1599 L1653 W1715 | V1360-F1595 HydrophobicContact CB-CD1 4.49Å; V1360-F1595 HydrophobicContact CB-CG 4.33Å; V1360-F1595 HydrophobicContact CG1-CD1 4.42Å; V1360-F1595 HydrophobicContact CG1-CD2 4.46Å; V1360-F1595 HydrophobicContact CG1-CE1 4.32Å; V1360-F1595 HydrophobicContact CG1-CE2 4.39Å; V1360-F1595 HydrophobicContact CG1-CG 4.47Å; V1360-F1595 HydrophobicContact CG1-CZ 4.31Å; V1360-F1595 HydrophobicContact CG2-CB 4.06Å; V1360-F1595 HydrophobicContact CG2-CD1 3.78Å; V1360-F1595 HydrophobicContact CG2-CE1 4.35Å; V1360-F1595 HydrophobicContact CG2-CG 3.93Å; Y1547-F1595 HydrophobicContact CD2-CD1 4.42Å; Y1547-F1595 AromaticContact CD2-CE1 3.84Å; Y1547-F1595 HydrophobicContact CD2-CE1 3.84Å; Y1547-F1595 AromaticContact CE2-CD1 3.74Å; Y1547-F1595 HydrophobicContact CE2-CD1 3.74Å; Y1547-F1595 AromaticContact CE2-CE1 3.59Å; Y1547-F1595 HydrophobicContact CE2-CE1 3.59Å; Y1547-F1595 HydrophobicContact CG-CE1 4.48Å; I1590-F1595 HydrophobicContact CD1-CD2 4.17Å; I1590-F1595 HydrophobicContact CG2-CB 4.08Å; L1591-F1595 PolarHBondContact O-N 2.74Å; R1592-F1595 PolarHBondContact O-N 3.24Å; F1595-A1597 PolarHBondContact O-N 3.41Å; F1595-S1598 WeakPolarHBondContact CA-OG 3.49Å; F1595-S1598 PolarHBondContact O-N 3.44Å; F1595-S1598 PolarHBondContact O-OG 3.47Å; F1595-L1599 HydrophobicContact CD1-CD1 3.72Å; F1595-L1599 HydrophobicContact CE1-CD1 3.41Å; F1595-L1599 VanDerWaalsContact CE1-CD1 3.41Å; F1595-L1599 HydrophobicContact CE1-CG 4.44Å; F1595-L1599 HydrophobicContact CZ-CD1 4.04Å; F1595-L1599 WeakPolarHBondContact O-CG 3.45Å; F1595-L1599 PolarHBondContact O-N 2.9Å; F1595-L1599 VanDerWaalsContact O-N 3.12Å; F1595-L1653 HydrophobicContact CZ-CD2 4Å; F1595-W1715 HydrophobicContact CD2-CE3 4.15Å; F1595-W1715 AromaticContact CE2-CE3 3.79Å; F1595-W1715 HydrophobicContact CE2-CE3 3.79Å; F1595-W1715 HydrophobicContact CE2-CZ3 4.11Å |
| 1596 | D | 68.2 | Low | 68.4 | Low | 51 Ų | 51 | 45.6 Ų | 45.6 | 27% | 0.273 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.6 | -34.5 | 174.3 | -70.6 | 22.1 | 0 | 0 | 0 | 110.4 | Y1547 R1592 T1600 | Y1547-D1596 PolarHBondContact OH-OD1 3.34Å; R1592-D1596 WeakPolarHBondContact CG-OD1 3.43Å; R1592-D1596 IonicContact CZ-OD2 3.19Å; R1592-D1596 IonicContact NE-OD1 3.47Å; R1592-D1596 PolarHBondContact NE-OD1 3.46Å; R1592-D1596 IonicContact NE-OD2 3.18Å; R1592-D1596 PolarHBondContact NE-OD2 2.87Å; R1592-D1596 IonicContact NH2-OD2 3.16Å; R1592-D1596 WeakPolarHBondContact O-CB 3.37Å; R1592-D1596 VanDerWaalsContact O-CG 3.29Å; R1592-D1596 PolarHBondContact O-N 3.45Å; R1592-D1596 VanDerWaalsContact O-OD1 3.09Å; D1596-T1600 WeakPolarHBondContact O-CG2 3.34Å; D1596-T1600 PolarHBondContact O-OG1 3.36Å |
| 1597 | A | 64.9 | Low | 69.5 | Low | 49 Ų | 49 | 46.7 Ų | 46.7 | 41% | 0.405 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -75.4 | -45.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | R1593 I1594 F1595 L1599 T1600 Q1601 | R1593-A1597 WeakPolarHBondContact O-CB 3.46Å; R1593-A1597 PolarHBondContact O-N 2.73Å; R1593-A1597 VanDerWaalsContact O-N 3.17Å; I1594-A1597 WeakPolarHBondContact O-CB 3.43Å; I1594-A1597 PolarHBondContact O-N 2.89Å; I1594-A1597 VanDerWaalsContact O-N 3.1Å; F1595-A1597 PolarHBondContact O-N 3.41Å; A1597-L1599 VanDerWaalsContact C-N 3.27Å; A1597-L1599 PolarHBondContact O-N 3.32Å; A1597-T1600 CarbonylContact O-C 3.58Å; A1597-T1600 WeakPolarHBondContact O-CA 3.11Å; A1597-T1600 PolarHBondContact O-N 3.48Å; A1597-T1600 PolarHBondContact O-OG1 2.58Å; A1597-Q1601 PolarHBondContact O-N 2.84Å |
| 1598 | S | 63.3 | Low | 70.3 | Confident | 9 Ų | 9 | 47.4 Ų | 47.4 | 6% | 0.063 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.8 | -30.8 | 179.1 | 55.8 | 0 | 0 | 0 | 0 | 113.1 | I1594 F1595 T1600 Q1601 S1714 W1715 | I1594-S1598 PolarHBondContact O-N 3.29Å; I1594-S1598 PolarHBondContact O-OG 2.88Å; F1595-S1598 WeakPolarHBondContact CA-OG 3.49Å; F1595-S1598 PolarHBondContact O-N 3.44Å; F1595-S1598 PolarHBondContact O-OG 3.47Å; S1598-T1600 VanDerWaalsContact C-N 3.27Å; S1598-T1600 PolarHBondContact O-N 3.4Å; S1598-Q1601 PolarHBondContact O-N 3.24Å; S1598-S1714 WeakPolarHBondContact CB-O 3.27Å; S1598-S1714 PolarHBondContact O-OG 3.27Å; S1598-W1715 WeakPolarHBondContact OG-CB 3.25Å |
| 1599 | L | 62.7 | Low | 70.3 | Confident | 33 Ų | 33 | 47.3 Ų | 47.3 | 17% | 0.173 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -16.1 | 171.7 | -73.4 | 173.9 | 0 | 0 | 0 | 113.8 | Y1547 F1595 A1597 F1652 L1653 | Y1547-L1599 HydrophobicContact CD1-CD1 4.06Å; Y1547-L1599 HydrophobicContact CE1-CD1 3.39Å; Y1547-L1599 HydrophobicContact CE2-CD1 4.32Å; F1595-L1599 HydrophobicContact CD1-CD1 3.72Å; F1595-L1599 HydrophobicContact CE1-CD1 3.41Å; F1595-L1599 VanDerWaalsContact CE1-CD1 3.41Å; F1595-L1599 HydrophobicContact CE1-CG 4.44Å; F1595-L1599 HydrophobicContact CZ-CD1 4.04Å; F1595-L1599 WeakPolarHBondContact O-CG 3.45Å; F1595-L1599 PolarHBondContact O-N 2.9Å; F1595-L1599 VanDerWaalsContact O-N 3.12Å; A1597-L1599 VanDerWaalsContact C-N 3.27Å; A1597-L1599 PolarHBondContact O-N 3.32Å; L1599-F1652 HydrophobicContact CD2-CB 4.1Å; L1599-L1653 HydrophobicContact CD2-CD2 4.07Å |
| 1600 | T | 64.2 | Low | 69.9 | Low | 118 Ų | 118 | 47.3 Ų | 47.3 | 72% | 0.724 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | -5.8 | 172.8 | 58.8 | 0 | 0 | 0 | 0 | 113.7 | D1596 A1597 S1598 | D1596-T1600 WeakPolarHBondContact O-CG2 3.34Å; D1596-T1600 PolarHBondContact O-OG1 3.36Å; A1597-T1600 CarbonylContact O-C 3.58Å; A1597-T1600 WeakPolarHBondContact O-CA 3.11Å; A1597-T1600 PolarHBondContact O-N 3.48Å; A1597-T1600 PolarHBondContact O-OG1 2.58Å; S1598-T1600 VanDerWaalsContact C-N 3.27Å; S1598-T1600 PolarHBondContact O-N 3.4Å |
| 1601 | Q | 65.9 | Low | 69.5 | Low | 55 Ų | 55 | 47.2 Ų | 47.2 | 26% | 0.257 | 26% | 0.26 | S | S | . | . | trans | -95.8 | 98.1 | -178.4 | -175 | 57.5 | 64.8 | 0 | 0 | 110.5 | A1597 S1598 W1603 | A1597-Q1601 PolarHBondContact O-N 2.84Å; S1598-Q1601 PolarHBondContact O-N 3.24Å; Q1601-W1603 HydrophobicContact CG-CD2 3.98Å; Q1601-W1603 HydrophobicContact CG-CG 4.37Å; Q1601-W1603 HydrophobicContact CG-CZ2 3.92Å; Q1601-W1603 PolarHBondContact O-N 2.84Å | ||
| 1602 | E | 65.9 | Low | 68.5 | Low | 128 Ų | 128 | 47.2 Ų | 47.2 | 60% | 0.598 | 26% | 0.261 | S | S | * | . | trans | -63.3 | 115.2 | 160.8 | -68 | 178.8 | -178.3 | 0 | 0 | 109 | K1604 | E1602-K1604 IonicContact OE2-NZ 3.81Š| ||
| 1603 | W | 71.3 | Confident | 67.2 | Low | 15 Ų | 15 | 48.6 Ų | 48.6 | 6% | 0.057 | 27% | 0.272 | C | S | . | . | trans | -90.2 | 133.9 | 173 | -69.1 | 104.8 | 0 | 0 | 0 | 110.4 | Q1601 D1607 F1609 V1623 Y1657 S1714 M1717 K1719 | Q1601-W1603 HydrophobicContact CG-CD2 3.98Å; Q1601-W1603 HydrophobicContact CG-CG 4.37Å; Q1601-W1603 HydrophobicContact CG-CZ2 3.92Å; Q1601-W1603 PolarHBondContact O-N 2.84Å; W1603-D1607 HydrophobicContact CE3-CB 3.8Å; W1603-D1607 HydrophobicContact CZ3-CB 4.18Å; W1603-F1609 HydrophobicContact CH2-CB 3.61Å; W1603-F1609 HydrophobicContact CZ3-CB 3.72Å; W1603-V1623 HydrophobicContact CB-CG2 4.28Å; W1603-V1623 HydrophobicContact CD2-CG2 4.47Å; W1603-V1623 HydrophobicContact CE3-CG2 3.98Å; W1603-Y1657 HydrophobicContact CB-CD1 3.98Å; W1603-Y1657 HydrophobicContact CB-CE1 3.57Å; W1603-Y1657 HydrophobicContact CB-CE2 4.32Å; W1603-Y1657 AromaticContact CD1-CE2 3.73Å; W1603-Y1657 AromaticContact CD1-CZ 3.88Å; W1603-Y1657 HydrophobicContact CG-CE1 4.41Å; W1603-Y1657 HydrophobicContact CG-CE2 4.34Å; W1603-S1714 PolarHBondContact NE1-OG 3.17Å; W1603-M1717 HydrophobicContact CD2-CE 3.57Å; W1603-M1717 HydrophobicContact CE3-CE 3.83Å; W1603-M1717 HydrophobicContact CG-CE 3.93Å; W1603-M1717 HydrophobicContact CH2-CB 3.91Å; W1603-M1717 HydrophobicContact CH2-CE 4.35Å; W1603-M1717 HydrophobicContact CZ2-CB 3.41Å; W1603-M1717 VanDerWaalsContact CZ2-CB 3.41Å; W1603-M1717 HydrophobicContact CZ2-CE 4.17Å; W1603-M1717 WeakPolarHBondContact CZ2-O 3.26Å; W1603-M1717 HydrophobicContact CZ3-CE 4.21Å; W1603-K1719 HydrophobicContact CH2-CB 3.97Å; W1603-K1719 HydrophobicContact CH2-CG 4.42Å; W1603-K1719 HydrophobicContact CZ3-CB 4.38Å; W1603-K1719 HydrophobicContact CZ3-CG 4.32Å | ||
| 1604 | K | 73.2 | Confident | 66 | Low | 122 Ų | 122 | 45.6 Ų | 45.6 | 53% | 0.53 | 27% | 0.272 | S | S | . | . | trans | -116.8 | 145.4 | -178.7 | -62.5 | -178.6 | -176.9 | 179.6 | 0 | 110.5 | E1602 G1606 D1607 V1623 | E1602-K1604 IonicContact OE2-NZ 3.81Å; K1604-G1606 PolarHBondContact O-N 3.35Å; K1604-D1607 PolarHBondContact N-OD2 2.82Å; K1604-D1607 VanDerWaalsContact O-CB 3.31Å; K1604-D1607 WeakPolarHBondContact O-CB 3.4Å; K1604-D1607 PolarHBondContact O-N 3.26Å; K1604-V1623 WeakPolarHBondContact O-CB 3.24Å | ||
| 1605 | P | 73.1 | Confident | 64.8 | Low | 95 Ų | 95 | 46.4 Ų | 46.4 | 62% | 0.617 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.5 | 123 | 167.9 | -31.3 | 37.9 | 0 | 0 | 0 | 111.6 | V1623 I1624 | P1605-V1623 WeakPolarHBondContact CA-O 3.41Å; P1605-I1624 VanDerWaalsContact CB-O 3.29Å; P1605-I1624 WeakPolarHBondContact CB-O 3.46Å; P1605-I1624 WeakPolarHBondContact CG-O 3.46Å |
| 1606 | G | 72 | Confident | 63.6 | Low | 52 Ų | 52 | 53.1 Ų | 53.1 | 54% | 0.536 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.4 | -5.6 | -174 | 0 | 0 | 0 | 0 | 0 | 116.5 | K1604 L1622 V1623 | K1604-G1606 PolarHBondContact O-N 3.35Å; G1606-L1622 WeakPolarHBondContact O-CD2 3.34Å; G1606-V1623 PolarHBondContact N-O 2.9Å |
| 1607 | D | 75.1 | Confident | 62.7 | Low | 35 Ų | 35 | 52.2 Ų | 52.2 | 19% | 0.187 | 32% | 0.318 | C | S | . | . | trans | -64.1 | 135.6 | 170.9 | -92.7 | -42.5 | 0 | 0 | 0 | 110.8 | W1603 K1604 L1622 V1623 K1719 | W1603-D1607 HydrophobicContact CE3-CB 3.8Å; W1603-D1607 HydrophobicContact CZ3-CB 4.18Å; K1604-D1607 PolarHBondContact N-OD2 2.82Å; K1604-D1607 VanDerWaalsContact O-CB 3.31Å; K1604-D1607 WeakPolarHBondContact O-CB 3.4Å; K1604-D1607 PolarHBondContact O-N 3.26Å; D1607-L1622 WeakPolarHBondContact O-CA 3.11Å; D1607-V1623 HydrophobicContact CB-CG2 4.18Å; D1607-V1623 PolarHBondContact O-N 2.78Å; D1607-K1719 IonicContact OD1-NZ 3.14Å; D1607-K1719 PolarHBondContact OD1-NZ 3.42Å; D1607-K1719 IonicContact OD2-NZ 3.6Å; D1607-K1719 PolarHBondContact OD2-NZ 3.2Å; D1607-K1719 VanDerWaalsContact OD2-NZ 3.14Å | ||
| 1608 | L | 73.3 | Confident | 62.4 | Low | 37 Ų | 37 | 50.8 Ų | 50.8 | 19% | 0.194 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 132.1 | 173.2 | -76.8 | 163.8 | 0 | 0 | 0 | 111 | L1622 L1662 C1668 W1720 | L1608-L1622 HydrophobicContact CD2-CD2 3.48Å; L1608-L1622 VanDerWaalsContact CD2-CD2 3.48Å; L1608-L1622 HydrophobicContact CD2-CG 3.99Å; L1608-L1622 HydrophobicContact CG-CD2 3.75Å; L1608-L1662 HydrophobicContact CD2-CD1 3.58Å; L1608-C1668 HydrophobicContact CD1-CB 4.48Å; L1608-W1720 HydrophobicContact CB-CB 4.18Å; L1608-W1720 PolarHBondContact O-N 3.25Å |
| 1609 | F | 72.2 | Confident | 62.4 | Low | 1 Ų | 1 | 56.4 Ų | 56.4 | 0% | 0.004 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 160.9 | 173.1 | 75 | -82.5 | 0 | 0 | 0 | 112 | W1603 C1611 R1620 G1621 V1623 V1659 W1661 M1717 Y1718 | W1603-F1609 HydrophobicContact CH2-CB 3.61Å; W1603-F1609 HydrophobicContact CZ3-CB 3.72Å; F1609-C1611 HydrophobicContact CD2-CB 4.45Å; F1609-C1611 HydrophobicContact CE2-CB 4.2Å; F1609-R1620 WeakPolarHBondContact O-CA 3.43Å; F1609-G1621 VanDerWaalsContact CD1-C 3.45Å; F1609-G1621 VanDerWaalsContact CD1-O 3.28Å; F1609-G1621 WeakPolarHBondContact CD1-O 3.31Å; F1609-G1621 VanDerWaalsContact CE1-CA 3.48Å; F1609-G1621 PolarHBondContact N-O 2.8Å; F1609-G1621 PolarHBondContact O-N 2.86Å; F1609-V1623 HydrophobicContact CD1-CG2 4.38Å; F1609-V1659 HydrophobicContact CD1-CG1 4.43Å; F1609-V1659 HydrophobicContact CE1-CB 3.67Å; F1609-V1659 HydrophobicContact CE1-CG1 3.53Å; F1609-V1659 HydrophobicContact CE1-CG2 4.39Å; F1609-V1659 HydrophobicContact CZ-CB 3.7Å; F1609-V1659 HydrophobicContact CZ-CG1 3.77Å; F1609-V1659 HydrophobicContact CZ-CG2 3.91Å; F1609-W1661 HydrophobicContact CE2-CE3 4.44Å; F1609-W1661 AromaticContact CE2-CH2 3.86Å; F1609-W1661 HydrophobicContact CE2-CH2 3.86Å; F1609-W1661 AromaticContact CE2-CZ3 3.63Å; F1609-W1661 HydrophobicContact CE2-CZ3 3.63Å; F1609-W1661 HydrophobicContact CZ-CE3 4.29Å; F1609-W1661 HydrophobicContact CZ-CH2 4.19Å; F1609-W1661 AromaticContact CZ-CZ3 3.89Å; F1609-W1661 HydrophobicContact CZ-CZ3 3.89Å; F1609-M1717 HydrophobicContact CB-CB 4.14Å; F1609-M1717 HydrophobicContact CB-CE 4.42Å; F1609-M1717 HydrophobicContact CD1-CE 3.94Å; F1609-M1717 HydrophobicContact CD2-CB 3.95Å; F1609-M1717 HydrophobicContact CD2-CG 3.74Å; F1609-M1717 HydrophobicContact CE1-CE 4.36Å; F1609-M1717 HydrophobicContact CE2-CG 4.01Å; F1609-M1717 HydrophobicContact CG-CB 4.15Å; F1609-M1717 HydrophobicContact CG-CE 4.08Å; F1609-M1717 HydrophobicContact CG-CG 4.11Å; F1609-Y1718 CarbonylContact C-O 3.58Å; F1609-Y1718 VanDerWaalsContact CA-O 3.28Å; F1609-Y1718 WeakPolarHBondContact CA-O 3.45Å |
| 1610 | I | 66.6 | Low | 62.5 | Low | 5 Ų | 5 | 57 Ų | 57 | 3% | 0.026 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 152 | 162.4 | 56.8 | 172.4 | 0 | 0 | 0 | 109.8 | W1618 W1619 R1620 Y1718 W1720 I1752 | I1610-W1618 HydrophobicContact CB-CE3 4.4Å; I1610-W1618 HydrophobicContact CD1-CD2 4.46Å; I1610-W1618 HydrophobicContact CD1-CE3 3.85Å; I1610-W1618 HydrophobicContact CD1-CZ3 4.35Å; I1610-W1618 HydrophobicContact CG1-CE3 4.11Å; I1610-W1619 CarbonylContact C-O 3.59Å; I1610-W1619 WeakPolarHBondContact CA-O 3.4Å; I1610-W1619 WeakPolarHBondContact CB-O 3.43Å; I1610-R1620 HydrophobicContact CG2-CB 4.2Å; I1610-Y1718 PolarHBondContact N-O 2.83Å; I1610-Y1718 PolarHBondContact O-N 2.93Å; I1610-W1720 HydrophobicContact CD1-CE3 3.98Å; I1610-W1720 HydrophobicContact CD1-CZ3 4.35Å; I1610-W1720 HydrophobicContact CG1-CE3 4.49Å; I1610-W1720 HydrophobicContact CG2-CB 4.3Å; I1610-W1720 HydrophobicContact CG2-CD2 4.24Å; I1610-W1720 HydrophobicContact CG2-CE3 3.95Å; I1610-W1720 HydrophobicContact CG2-CG 4.41Å; I1610-I1752 HydrophobicContact CD1-CD1 3.51Å; I1610-I1752 HydrophobicContact CD1-CG1 4.45Å |
| 1611 | C | 63.8 | Low | 63 | Low | 18 Ų | 18 | 51.3 Ų | 51.3 | 12% | 0.122 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 133.8 | 177.2 | -178.6 | 0 | 0 | 0 | 0 | 108.7 | F1609 W1618 W1619 W1661 | F1609-C1611 HydrophobicContact CD2-CB 4.45Å; F1609-C1611 HydrophobicContact CE2-CB 4.2Å; C1611-W1618 CarbonylContact O-C 3.49Å; C1611-W1618 WeakPolarHBondContact O-CA 3.33Å; C1611-W1619 PolarHBondContact N-O 2.68Å; C1611-W1619 PolarHBondContact O-N 2.83Å; C1611-W1661 HydrophobicContact CB-CH2 3.65Å; C1611-W1661 HydrophobicContact CB-CZ3 3.9Å |
| 1612 | P | 57.6 | Low | 63.6 | Low | 17 Ų | 17 | 51 Ų | 51 | 11% | 0.11 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 141.1 | 174.4 | 28.3 | -32.9 | 0 | 0 | 0 | 109.9 | I1585 W1618 Y1718 | I1585-P1612 HydrophobicContact CD1-CB 4.28Å; I1585-P1612 HydrophobicContact CD1-CG 4.13Å; P1612-W1618 HydrophobicContact CB-CD2 4.16Å; P1612-W1618 HydrophobicContact CB-CE3 3.92Å; P1612-W1618 HydrophobicContact CB-CH2 3.8Å; P1612-W1618 HydrophobicContact CB-CZ2 4.05Å; P1612-W1618 HydrophobicContact CB-CZ3 3.75Å; P1612-W1618 HydrophobicContact CG-CE3 4.49Å; P1612-W1618 HydrophobicContact CG-CH2 4.26Å; P1612-W1618 HydrophobicContact CG-CZ3 4.03Å; P1612-Y1718 VanDerWaalsContact CD-CE2 3.43Å; P1612-Y1718 HydrophobicContact CG-CE2 3.94Å |
| 1613 | V | 51.2 | Low | 64.2 | Low | 62 Ų | 62 | 45.1 Ų | 45.1 | 38% | 0.376 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 131 | 169 | 172.6 | 0 | 0 | 0 | 0 | 108.1 | G1615 S1617 W1619 | V1613-G1615 PolarHBondContact O-N 3.3Å; V1613-S1617 PolarHBondContact N-O 3.47Å; V1613-W1619 HydrophobicContact CG2-CB 4.23Å; V1613-W1619 HydrophobicContact CG2-CG 3.76Å |
| 1614 | G | 43.3 | Very low | 64.4 | Low | 34 Ų | 34 | 47.3 Ų | 47.3 | 35% | 0.351 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -44.1 | 116.2 | -161.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | A1348 | A1348-G1614 WeakPolarHBondContact CB-O 3.45Å; A1348-G1614 VanDerWaalsContact O-CA 3.31Å; A1348-G1614 WeakPolarHBondContact O-CA 3.47Å |
| 1615 | G | 43.2 | Very low | 64.5 | Low | 34 Ų | 34 | 45 Ų | 45 | 35% | 0.351 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 124 | -162.7 | -171.7 | 0 | 0 | 0 | 0 | 0 | 111 | V1613 S1617 | V1613-G1615 PolarHBondContact O-N 3.3Å; G1615-S1617 PolarHBondContact O-N 3.02Å; G1615-S1617 VanDerWaalsContact O-N 3.1Å |
| 1616 | D | 45.7 | Very low | 64.1 | Low | 145 Ų | 145 | 43.9 Ų | 43.9 | 78% | 0.775 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | 24.4 | 176.8 | -65.5 | -33.4 | 0 | 0 | 0 | 112.8 | ||
| 1617 | S | 48.5 | Very low | 63.4 | Low | 33 Ų | 33 | 42.9 Ų | 42.9 | 23% | 0.231 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 142.8 | -166.1 | -68.7 | 0 | 0 | 0 | 0 | 113.1 | V1613 G1615 | V1613-S1617 PolarHBondContact N-O 3.47Å; G1615-S1617 PolarHBondContact O-N 3.02Å; G1615-S1617 VanDerWaalsContact O-N 3.1Å |
| 1618 | W | 58.7 | Low | 62.3 | Low | 19 Ų | 19 | 44.2 Ų | 44.2 | 7% | 0.072 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 127.8 | -179.2 | -65.1 | 73.8 | 0 | 0 | 0 | 109.8 | I1610 C1611 P1612 Y1718 I1752 L1760 Y1761 | I1610-W1618 HydrophobicContact CB-CE3 4.4Å; I1610-W1618 HydrophobicContact CD1-CD2 4.46Å; I1610-W1618 HydrophobicContact CD1-CE3 3.85Å; I1610-W1618 HydrophobicContact CD1-CZ3 4.35Å; I1610-W1618 HydrophobicContact CG1-CE3 4.11Å; C1611-W1618 CarbonylContact O-C 3.49Å; C1611-W1618 WeakPolarHBondContact O-CA 3.33Å; P1612-W1618 HydrophobicContact CB-CD2 4.16Å; P1612-W1618 HydrophobicContact CB-CE3 3.92Å; P1612-W1618 HydrophobicContact CB-CH2 3.8Å; P1612-W1618 HydrophobicContact CB-CZ2 4.05Å; P1612-W1618 HydrophobicContact CB-CZ3 3.75Å; P1612-W1618 HydrophobicContact CG-CE3 4.49Å; P1612-W1618 HydrophobicContact CG-CH2 4.26Å; P1612-W1618 HydrophobicContact CG-CZ3 4.03Å; W1618-Y1718 HydrophobicContact CZ3-CD1 4.47Å; W1618-Y1718 AromaticContact CZ3-CD2 3.95Å; W1618-Y1718 HydrophobicContact CZ3-CD2 3.95Å; W1618-Y1718 HydrophobicContact CZ3-CE2 4.17Å; W1618-Y1718 HydrophobicContact CZ3-CG 4.14Å; W1618-I1752 HydrophobicContact CB-CD1 4.14Å; W1618-I1752 HydrophobicContact CD2-CD1 3.36Å; W1618-I1752 HydrophobicContact CE3-CD1 3.9Å; W1618-I1752 HydrophobicContact CG-CD1 3.43Å; W1618-I1752 VanDerWaalsContact CG-CD1 3.43Å; W1618-I1752 HydrophobicContact CG-CG1 4.16Å; W1618-I1752 HydrophobicContact CZ2-CD1 4.21Å; W1618-L1760 HydrophobicContact CH2-CD2 3.45Å; W1618-L1760 VanDerWaalsContact CH2-CD2 3.45Å; W1618-L1760 HydrophobicContact CZ2-CD2 4.24Å; W1618-L1760 HydrophobicContact CZ3-CD2 3.7Å; W1618-Y1761 HydrophobicContact CZ2-CE2 4.46Å |
| 1619 | W | 62.4 | Low | 60.9 | Low | 126 Ų | 126 | 46.1 Ų | 46.1 | 48% | 0.477 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 160.9 | 172.7 | -79.2 | 51.4 | 0 | 0 | 0 | 109.9 | I1610 C1611 V1613 W1661 | I1610-W1619 CarbonylContact C-O 3.59Å; I1610-W1619 WeakPolarHBondContact CA-O 3.4Å; I1610-W1619 WeakPolarHBondContact CB-O 3.43Å; C1611-W1619 PolarHBondContact N-O 2.68Å; C1611-W1619 PolarHBondContact O-N 2.83Å; V1613-W1619 HydrophobicContact CG2-CB 4.23Å; V1613-W1619 HydrophobicContact CG2-CG 3.76Å; W1619-W1661 HydrophobicContact CB-CE3 3.95Å; W1619-W1661 HydrophobicContact CB-CH2 4.34Å; W1619-W1661 HydrophobicContact CB-CZ3 3.62Å; W1619-W1661 HydrophobicContact CE3-CB 4.42Å; W1619-W1661 AromaticContact CE3-CD2 3.88Å; W1619-W1661 HydrophobicContact CE3-CD2 3.88Å; W1619-W1661 AromaticContact CE3-CE3 3.93Å; W1619-W1661 HydrophobicContact CE3-CE3 3.93Å; W1619-W1661 HydrophobicContact CE3-CG 4.12Å; W1619-W1661 HydrophobicContact CZ3-CB 4.48Å; W1619-W1661 HydrophobicContact CZ3-CD2 4.47Å; W1619-W1661 HydrophobicContact CZ3-CG 4.29Å |
| 1620 | R | 64.8 | Low | 59.6 | Low | 45 Ų | 45 | 52.2 Ų | 52.2 | 17% | 0.17 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 144.3 | -177.6 | 55.6 | 163.1 | -165.6 | -159.1 | 8.8 | 111.5 | F1609 I1610 L1662 D1663 E1664 | F1609-R1620 WeakPolarHBondContact O-CA 3.43Å; I1610-R1620 HydrophobicContact CG2-CB 4.2Å; R1620-L1662 HydrophobicContact CG-CB 4.02Å; R1620-L1662 PolarHBondContact NE-O 2.8Å; R1620-L1662 PolarHBondContact O-N 2.85Å; R1620-D1663 PolarHBondContact NH2-O 3.42Å; R1620-E1664 PolarHBondContact NH2-O 2.87Å |
| 1621 | G | 75.7 | Confident | 58.2 | Low | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 175.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | F1609 R1660 | F1609-G1621 VanDerWaalsContact CD1-C 3.45Å; F1609-G1621 VanDerWaalsContact CD1-O 3.28Å; F1609-G1621 WeakPolarHBondContact CD1-O 3.31Å; F1609-G1621 VanDerWaalsContact CE1-CA 3.48Å; F1609-G1621 PolarHBondContact N-O 2.8Å; F1609-G1621 PolarHBondContact O-N 2.86Å; G1621-R1660 CarbonylContact C-O 3.53Å; G1621-R1660 WeakPolarHBondContact CA-O 3.37Å |
| 1622 | L | 78.4 | Confident | 57 | Low | 48 Ų | 48 | 62 Ų | 62 | 25% | 0.251 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 142.2 | 173.6 | -75.6 | 167.1 | 0 | 0 | 0 | 110 | G1606 D1607 L1608 V1659 R1660 L1662 | G1606-L1622 WeakPolarHBondContact O-CD2 3.34Å; D1607-L1622 WeakPolarHBondContact O-CA 3.11Å; L1608-L1622 HydrophobicContact CD2-CD2 3.48Å; L1608-L1622 VanDerWaalsContact CD2-CD2 3.48Å; L1608-L1622 HydrophobicContact CD2-CG 3.99Å; L1608-L1622 HydrophobicContact CG-CD2 3.75Å; L1622-V1659 CarbonylContact O-C 3.55Å; L1622-V1659 VanDerWaalsContact O-CA 3.32Å; L1622-V1659 WeakPolarHBondContact O-CA 3.38Å; L1622-R1660 PolarHBondContact N-O 3.46Å; L1622-R1660 PolarHBondContact O-N 2.8Å; L1622-L1662 HydrophobicContact CD1-CD1 4.39Å; L1622-L1662 HydrophobicContact CD1-CD2 3.87Å; L1622-L1662 HydrophobicContact CD1-CG 4.38Å; L1622-L1662 HydrophobicContact CG-CD1 4.04Å; L1622-L1662 HydrophobicContact CG-CD2 4.33Å; L1622-L1662 HydrophobicContact CG-CG 4.29Å |
| 1623 | V | 77.2 | Confident | 55.6 | Low | 4 Ų | 4 | 64.9 Ų | 64.9 | 2% | 0.024 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 131.6 | 168.6 | -178.1 | 0 | 0 | 0 | 0 | 109.9 | W1603 K1604 P1605 G1606 D1607 F1609 Y1657 V1659 M1717 | W1603-V1623 HydrophobicContact CB-CG2 4.28Å; W1603-V1623 HydrophobicContact CD2-CG2 4.47Å; W1603-V1623 HydrophobicContact CE3-CG2 3.98Å; K1604-V1623 WeakPolarHBondContact O-CB 3.24Å; P1605-V1623 WeakPolarHBondContact CA-O 3.41Å; G1606-V1623 PolarHBondContact N-O 2.9Å; D1607-V1623 HydrophobicContact CB-CG2 4.18Å; D1607-V1623 PolarHBondContact O-N 2.78Å; F1609-V1623 HydrophobicContact CD1-CG2 4.38Å; V1623-Y1657 HydrophobicContact CG1-CD1 3.91Å; V1623-V1659 HydrophobicContact CG2-CG1 4.46Å; V1623-M1717 HydrophobicContact CG2-CE 3.43Å; V1623-M1717 VanDerWaalsContact CG2-CE 3.43Å |
| 1624 | I | 76 | Confident | 54.5 | Low | 61 Ų | 61 | 67.5 Ų | 67.5 | 31% | 0.313 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | -58.8 | 176.2 | -51.9 | 157.1 | 0 | 0 | 0 | 109.7 | P1605 L1658 V1659 R1660 I1709 | P1605-I1624 VanDerWaalsContact CB-O 3.29Å; P1605-I1624 WeakPolarHBondContact CB-O 3.46Å; P1605-I1624 WeakPolarHBondContact CG-O 3.46Å; I1624-L1658 WeakPolarHBondContact CA-O 3.27Å; I1624-L1658 HydrophobicContact CB-CB 4.5Å; I1624-L1658 HydrophobicContact CB-CD2 4.38Å; I1624-L1658 VanDerWaalsContact CB-O 3.29Å; I1624-L1658 WeakPolarHBondContact CB-O 3.4Å; I1624-L1658 HydrophobicContact CD1-CD2 4.12Å; I1624-L1658 HydrophobicContact CD1-CG 4.02Å; I1624-L1658 HydrophobicContact CG2-CD2 4.34Å; I1624-L1658 PolarHBondContact N-O 3.22Å; I1624-V1659 VanDerWaalsContact CD1-C 3.47Å; I1624-R1660 HydrophobicContact CD1-CB 3.95Å; I1624-R1660 HydrophobicContact CG1-CB 4.03Å; I1624-I1709 HydrophobicContact CD1-CB 4.27Å; I1624-I1709 HydrophobicContact CD1-CD1 3.83Å; I1624-I1709 HydrophobicContact CD1-CG1 3.81Å; I1624-I1709 HydrophobicContact CD1-CG2 3.62Å |
| 1625 | Q | 75.3 | Confident | 53.5 | Low | 74 Ų | 74 | 71 Ų | 71 | 35% | 0.346 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 158.2 | 174.2 | 71.4 | 178.3 | 70.8 | 0 | 0 | 111.7 | D1631 L1658 | Q1625-D1631 PolarHBondContact NE2-OD2 2.96Å; Q1625-L1658 HydrophobicContact CG-CB 3.78Å; Q1625-L1658 HydrophobicContact CG-CD2 4.07Å; Q1625-L1658 PolarHBondContact N-O 3.33Å; Q1625-L1658 PolarHBondContact O-N 3.26Å |
| 1626 | N | 65.1 | Low | 52.5 | Low | 72 Ų | 72 | 78.2 Ų | 78.2 | 39% | 0.385 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 141.2 | 160 | -170.7 | 18.9 | 0 | 0 | 0 | 108.1 | T1655 Y1657 | N1626-T1655 WeakPolarHBondContact OD1-CG2 3.37Å; N1626-Y1657 HydrophobicContact CB-CD1 4.01Å; N1626-Y1657 HydrophobicContact CB-CE1 3.69Å |
| 1627 | L | 57.8 | Low | 51.3 | Low | 30 Ų | 30 | 76.5 Ų | 76.5 | 16% | 0.157 | 42% | 0.415 | C | S | . | . | P | Polyproline II helix | trans | -97.7 | 116.2 | 174.6 | -68.6 | 156.5 | 0 | 0 | 0 | 108.9 | T1656 L1658 H1711 | L1627-T1656 WeakPolarHBondContact CB-O 3.45Å; L1627-T1656 PolarHBondContact N-O 2.97Å; L1627-L1658 HydrophobicContact CD1-CB 4.32Å; L1627-H1711 WeakPolarHBondContact CD1-ND1 3.43Å |
| 1628 | S | 52.5 | Low | 49.9 | Very low | 63 Ų | 63 | 80.4 Ų | 80.4 | 44% | 0.441 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -84.4 | 148.2 | 168.7 | 37.6 | 0 | 0 | 0 | 0 | 110.6 | D1630 D1631 | S1628-D1630 PolarHBondContact O-N 3.46Å; S1628-D1631 PolarHBondContact O-N 3.27Å |
| 1629 | D | 43.4 | Very low | 48.1 | Very low | 78 Ų | 78 | 85.7 Ų | 85.7 | 42% | 0.417 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -54.9 | -27.5 | -173.6 | -51.9 | -87.2 | 0 | 0 | 0 | 113.5 | D1631 L1632 H1651 N1654 | D1629-D1631 PolarHBondContact O-N 3.01Å; D1629-L1632 PolarHBondContact O-N 2.94Å; D1629-H1651 IonicContact OD2-ND1 3.75Å; D1629-N1654 PolarHBondContact OD1-ND2 3.3Å |
| 1630 | D | 43.8 | Very low | 46.2 | Very low | 128 Ų | 128 | 85 Ų | 85 | 68% | 0.684 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -55.6 | -44.5 | 174.3 | -70.9 | -35.4 | 0 | 0 | 0 | 113 | S1628 L1632 S1633 | S1628-D1630 PolarHBondContact O-N 3.46Å; D1630-L1632 VanDerWaalsContact C-N 3.27Å; D1630-L1632 PolarHBondContact O-N 2.89Å; D1630-S1633 PolarHBondContact O-N 3.11Å; D1630-S1633 VanDerWaalsContact O-N 3.16Å; D1630-S1633 PolarHBondContact O-OG 2.9Å |
| 1631 | D | 38.6 | Very low | 44 | Very low | 83 Ų | 83 | 90.8 Ų | 90.8 | 44% | 0.444 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.7 | -30.7 | -178.2 | -78.7 | -19.5 | 0 | 0 | 0 | 111.8 | Q1625 S1628 D1629 S1633 | Q1625-D1631 PolarHBondContact NE2-OD2 2.96Å; S1628-D1631 PolarHBondContact O-N 3.27Å; D1629-D1631 PolarHBondContact O-N 3.01Å; D1631-S1633 PolarHBondContact O-N 2.87Å |
| 1632 | L | 36.8 | Very low | 41.4 | Very low | 145 Ų | 145 | 96.9 Ų | 96.9 | 76% | 0.759 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -77.8 | -12.6 | -179.6 | -146.9 | 76 | 0 | 0 | 0 | 112.5 | D1629 D1630 | D1629-L1632 PolarHBondContact O-N 2.94Å; D1630-L1632 VanDerWaalsContact C-N 3.27Å; D1630-L1632 PolarHBondContact O-N 2.89Å |
| 1633 | S | 30.1 | Very low | 38.7 | Very low | 78 Ų | 78 | 102.8 Ų | 102.8 | 55% | 0.545 | 59% | 0.587 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95 | -3 | -170.9 | 78 | 0 | 0 | 0 | 0 | 115 | D1630 D1631 S1635 | D1630-S1633 PolarHBondContact O-N 3.11Å; D1630-S1633 VanDerWaalsContact O-N 3.16Å; D1630-S1633 PolarHBondContact O-OG 2.9Å; D1631-S1633 PolarHBondContact O-N 2.87Å; S1633-S1635 PolarHBondContact O-N 2.83Å |
| 1634 | T | 26.1 | Very low | 36 | Very low | 118 Ų | 118 | 110 Ų | 110 | 72% | 0.724 | 63% | 0.625 | S | S | * | * | trans | -76.7 | 55.8 | -166.3 | 64.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1635 | S | 22.8 | Very low | 33.5 | Very low | 106 Ų | 106 | 113.2 Ų | 113.2 | 74% | 0.741 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -145.4 | 31.2 | 173.2 | 59.3 | 0 | 0 | 0 | 0 | 115.1 | S1633 | S1633-S1635 PolarHBondContact O-N 2.83Š|
| 1636 | K | 23.1 | Very low | 31.1 | Very low | 186 Ų | 186 | 116.1 Ų | 116.1 | 81% | 0.809 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -158.5 | 152.7 | 155.7 | -112.7 | 147.6 | -170.3 | 172.1 | 0 | 114.1 | ||
| 1637 | P | 20.1 | Very low | 29.2 | Very low | 110 Ų | 110 | 119.2 Ų | 119.2 | 71% | 0.714 | 68% | 0.678 | S | S | * | * | trans | -93.8 | 126.7 | -166.8 | 34.6 | -33.5 | 0 | 0 | 0 | 115.2 | ||||
| 1638 | S | 19.4 | Very low | 27.8 | Very low | 114 Ų | 114 | 124 Ų | 124 | 80% | 0.797 | 70% | 0.704 | S | S | * | * | trans | 34.4 | 100 | 142.9 | 64.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1639 | T | 21.6 | Very low | 26.7 | Very low | 130 Ų | 130 | 125.3 Ų | 125.3 | 80% | 0.798 | 71% | 0.709 | S | S | * | * | trans | -134.7 | 116.6 | 151 | 53 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1640 | S | 21.1 | Very low | 26 | Very low | 111 Ų | 111 | 125.4 Ų | 125.4 | 78% | 0.776 | 71% | 0.708 | S | S | * | * | trans | 44.7 | 105.9 | 158 | 57.8 | 0 | 0 | 0 | 0 | 119.8 | V1642 | S1640-V1642 PolarHBondContact O-N 2.83Š| ||
| 1641 | L | 19.2 | Very low | 25.6 | Very low | 167 Ų | 167 | 124.4 Ų | 124.4 | 87% | 0.874 | 70% | 0.699 | S | S | * | * | trans | -25.8 | 124.1 | 149.4 | -73.2 | 148.8 | 0 | 0 | 0 | 115.1 | ||||
| 1642 | V | 21.8 | Very low | 25.7 | Very low | 128 Ų | 128 | 126 Ų | 126 | 78% | 0.776 | 70% | 0.702 | S | S | * | * | trans | -138.2 | 115.9 | 144.7 | 179.1 | 0 | 0 | 0 | 0 | 107.6 | S1640 | S1640-V1642 PolarHBondContact O-N 2.83Š| ||
| 1643 | E | 20.5 | Very low | 26 | Very low | 172 Ų | 172 | 120.8 Ų | 120.8 | 80% | 0.804 | 68% | 0.675 | S | S | * | * | trans | -67.9 | 134.6 | 171.1 | -59.1 | 174.6 | 138.9 | 0 | 0 | 109.7 | ||||
| 1644 | N | 21.7 | Very low | 26.7 | Very low | 155 Ų | 155 | 119 Ų | 119 | 83% | 0.829 | 66% | 0.659 | S | S | * | * | trans | -148.7 | 133.7 | 160.5 | -119.1 | -35.9 | 0 | 0 | 0 | 111.6 | ||||
| 1645 | N | 22.6 | Very low | 28.1 | Very low | 130 Ų | 130 | 114.4 Ų | 114.4 | 70% | 0.695 | 63% | 0.631 | S | S | * | * | trans | -95.4 | 159.3 | -166.5 | -72.1 | -84.9 | 0 | 0 | 0 | 112.8 | ||||
| 1646 | N | 24.7 | Very low | 29.9 | Very low | 134 Ų | 134 | 110.8 Ų | 110.8 | 72% | 0.717 | 61% | 0.605 | S | S | * | * | trans | 68.3 | 88.8 | 158.9 | -52 | -41.4 | 0 | 0 | 0 | 117.6 | ||||
| 1647 | N | 25.9 | Very low | 32.2 | Very low | 137 Ų | 137 | 102.6 Ų | 102.6 | 73% | 0.733 | 57% | 0.569 | S | S | * | * | trans | -152.6 | 48.9 | 155.8 | -97.1 | -37.1 | 0 | 0 | 0 | 112.2 | T1649 | N1647-T1649 PolarHBondContact O-N 3.23Š| ||
| 1648 | N | 27.5 | Very low | 34.8 | Very low | 132 Ų | 132 | 98 Ų | 98 | 71% | 0.706 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | 32.7 | -170.9 | -64.9 | 24.6 | 0 | 0 | 0 | 115.8 | ||
| 1649 | T | 30.3 | Very low | 37.4 | Very low | 90 Ų | 90 | 92.6 Ų | 92.6 | 55% | 0.552 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.7 | -10.9 | -179.3 | 50.5 | 0 | 0 | 0 | 0 | 115.1 | L1550 N1647 | L1550-T1649 WeakPolarHBondContact CD2-O 3.44Å; N1647-T1649 PolarHBondContact O-N 3.23Å |
| 1650 | M | 28.4 | Very low | 40 | Very low | 80 Ų | 80 | 89.9 Ų | 89.9 | 39% | 0.394 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -83.9 | -27 | 179.9 | -75.5 | -61.9 | -167.7 | 0 | 0 | 114.7 | L1550 F1652 | L1550-M1650 HydrophobicContact CD2-SD 4.21Å; M1650-F1652 PolarHBondContact O-N 2.83Å |
| 1651 | H | 34.8 | Very low | 42.6 | Very low | 106 Ų | 106 | 86.2 Ų | 86.2 | 49% | 0.491 | 44% | 0.444 | S | S | . | . | G | 310 helix | trans | -61.6 | -18 | -167.7 | -62.7 | -69.6 | 0 | 0 | 0 | 116.2 | D1629 L1653 | D1629-H1651 IonicContact OD2-ND1 3.75Å; H1651-L1653 PolarHBondContact O-N 2.81Å |
| 1652 | F | 40.8 | Very low | 44.9 | Very low | 118 Ų | 118 | 79.2 Ų | 79.2 | 52% | 0.518 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -75.1 | -13.9 | -172 | -75.8 | -78.1 | 0 | 0 | 0 | 115.9 | L1599 M1650 | L1599-F1652 HydrophobicContact CD2-CB 4.1Å; M1650-F1652 PolarHBondContact O-N 2.83Å |
| 1653 | L | 43.8 | Very low | 46.6 | Very low | 35 Ų | 35 | 78.4 Ų | 78.4 | 18% | 0.183 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -98.5 | -14.2 | 177.2 | -70.1 | 176.3 | 0 | 0 | 0 | 114.3 | F1407 L1550 F1595 L1599 H1651 W1715 | F1407-L1653 HydrophobicContact CD1-CD1 4.35Å; F1407-L1653 HydrophobicContact CE1-CD1 3.74Å; L1550-L1653 HydrophobicContact CB-CD1 4.23Å; L1550-L1653 HydrophobicContact CD1-CD1 4.07Å; L1550-L1653 HydrophobicContact CD1-CG 4.47Å; L1550-L1653 HydrophobicContact CD2-CD1 4.26Å; L1550-L1653 HydrophobicContact CG-CD1 4.43Å; F1595-L1653 HydrophobicContact CZ-CD2 4Å; L1599-L1653 HydrophobicContact CD2-CD2 4.07Å; H1651-L1653 PolarHBondContact O-N 2.81Å; L1653-W1715 HydrophobicContact CD2-CZ3 4.08Å |
| 1654 | N | 45.6 | Very low | 48 | Very low | 41 Ų | 41 | 74.9 Ų | 74.9 | 22% | 0.219 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -7.7 | 177.7 | -85.8 | 16.4 | 0 | 0 | 0 | 114.6 | D1334 G1335 P1336 D1629 T1656 | D1334-N1654 PolarHBondContact O-ND2 3.15Å; D1334-N1654 PolarHBondContact O-OD1 3.16Å; G1335-N1654 WeakPolarHBondContact CA-OD1 3.44Å; P1336-N1654 WeakPolarHBondContact CD-OD1 3.38Å; D1629-N1654 PolarHBondContact OD1-ND2 3.3Å; N1654-T1656 VanDerWaalsContact C-N 3.3Å; N1654-T1656 PolarHBondContact O-N 2.89Å; N1654-T1656 PolarHBondContact O-OG1 2.84Å |
| 1655 | T | 55.4 | Low | 49.2 | Very low | 20 Ų | 20 | 73.7 Ų | 73.7 | 12% | 0.123 | 38% | 0.376 | C | S | . | . | trans | -65.3 | 86.2 | -178.8 | 54.1 | 0 | 0 | 0 | 0 | 112.8 | N1626 Y1657 | N1626-T1655 WeakPolarHBondContact OD1-CG2 3.37Å; T1655-Y1657 WeakPolarHBondContact O-CE2 3.48Å | ||
| 1656 | T | 60.8 | Low | 50.3 | Low | 31 Ų | 31 | 70.8 Ų | 70.8 | 19% | 0.19 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 128.2 | 157.4 | 21.3 | 0 | 0 | 0 | 0 | 107.8 | L1627 N1654 | L1627-T1656 WeakPolarHBondContact CB-O 3.45Å; L1627-T1656 PolarHBondContact N-O 2.97Å; N1654-T1656 VanDerWaalsContact C-N 3.3Å; N1654-T1656 PolarHBondContact O-N 2.89Å; N1654-T1656 PolarHBondContact O-OG1 2.84Å |
| 1657 | Y | 70.4 | Confident | 51.2 | Low | 14 Ų | 14 | 68.8 Ų | 68.8 | 6% | 0.055 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 133 | 176.7 | -66.7 | -87.5 | 0 | 0 | 0 | 109 | W1603 V1623 N1626 T1655 V1659 V1712 M1717 | W1603-Y1657 HydrophobicContact CB-CD1 3.98Å; W1603-Y1657 HydrophobicContact CB-CE1 3.57Å; W1603-Y1657 HydrophobicContact CB-CE2 4.32Å; W1603-Y1657 AromaticContact CD1-CE2 3.73Å; W1603-Y1657 AromaticContact CD1-CZ 3.88Å; W1603-Y1657 HydrophobicContact CG-CE1 4.41Å; W1603-Y1657 HydrophobicContact CG-CE2 4.34Å; V1623-Y1657 HydrophobicContact CG1-CD1 3.91Å; N1626-Y1657 HydrophobicContact CB-CD1 4.01Å; N1626-Y1657 HydrophobicContact CB-CE1 3.69Å; T1655-Y1657 WeakPolarHBondContact O-CE2 3.48Å; Y1657-V1659 PolarHBondContact O-N 2.96Å; Y1657-V1712 PolarHBondContact N-O 3.01Å; Y1657-V1712 PolarHBondContact O-N 2.91Å; Y1657-M1717 HydrophobicContact CD2-SD 3.99Å; Y1657-M1717 HydrophobicContact CG-CE 4.41Å; Y1657-M1717 HydrophobicContact CG-SD 4.28Å |
| 1658 | L | 74.3 | Confident | 52 | Low | 13 Ų | 13 | 66.2 Ų | 66.2 | 7% | 0.068 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 116.4 | 164.7 | -163.6 | 78.3 | 0 | 0 | 0 | 106.7 | I1624 Q1625 L1627 I1709 | I1624-L1658 WeakPolarHBondContact CA-O 3.27Å; I1624-L1658 HydrophobicContact CB-CB 4.5Å; I1624-L1658 HydrophobicContact CB-CD2 4.38Å; I1624-L1658 VanDerWaalsContact CB-O 3.29Å; I1624-L1658 WeakPolarHBondContact CB-O 3.4Å; I1624-L1658 HydrophobicContact CD1-CD2 4.12Å; I1624-L1658 HydrophobicContact CD1-CG 4.02Å; I1624-L1658 HydrophobicContact CG2-CD2 4.34Å; I1624-L1658 PolarHBondContact N-O 3.22Å; Q1625-L1658 HydrophobicContact CG-CB 3.78Å; Q1625-L1658 HydrophobicContact CG-CD2 4.07Å; Q1625-L1658 PolarHBondContact N-O 3.33Å; Q1625-L1658 PolarHBondContact O-N 3.26Å; L1627-L1658 HydrophobicContact CD1-CB 4.32Å; L1658-I1709 HydrophobicContact CD1-CG2 3.67Å; L1658-I1709 HydrophobicContact CD2-CG2 4.04Å; L1658-I1709 HydrophobicContact CG-CG2 3.61Å |
| 1659 | V | 74.5 | Confident | 52.3 | Low | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 149.8 | -173.4 | -68.1 | 0 | 0 | 0 | 0 | 111.4 | F1609 L1622 V1623 I1624 Y1657 I1709 D1710 V1712 M1717 | F1609-V1659 HydrophobicContact CD1-CG1 4.43Å; F1609-V1659 HydrophobicContact CE1-CB 3.67Å; F1609-V1659 HydrophobicContact CE1-CG1 3.53Å; F1609-V1659 HydrophobicContact CE1-CG2 4.39Å; F1609-V1659 HydrophobicContact CZ-CB 3.7Å; F1609-V1659 HydrophobicContact CZ-CG1 3.77Å; F1609-V1659 HydrophobicContact CZ-CG2 3.91Å; L1622-V1659 CarbonylContact O-C 3.55Å; L1622-V1659 VanDerWaalsContact O-CA 3.32Å; L1622-V1659 WeakPolarHBondContact O-CA 3.38Å; V1623-V1659 HydrophobicContact CG2-CG1 4.46Å; I1624-V1659 VanDerWaalsContact CD1-C 3.47Å; Y1657-V1659 PolarHBondContact O-N 2.96Å; V1659-I1709 CarbonylContact O-C 3.54Å; V1659-I1709 VanDerWaalsContact O-CA 3.28Å; V1659-I1709 WeakPolarHBondContact O-CA 3.08Å; V1659-D1710 HydrophobicContact CG2-CB 4.26Å; V1659-D1710 WeakPolarHBondContact CG2-O 3.08Å; V1659-D1710 PolarHBondContact N-O 2.76Å; V1659-D1710 PolarHBondContact O-N 3.47Å; V1659-V1712 HydrophobicContact CG2-CB 3.85Å; V1659-V1712 HydrophobicContact CG2-CG2 3.45Å; V1659-V1712 VanDerWaalsContact CG2-CG2 3.45Å; V1659-M1717 HydrophobicContact CG1-CE 4.06Å; V1659-M1717 HydrophobicContact CG1-SD 4.26Å |
| 1660 | R | 75.5 | Confident | 52.3 | Low | 73 Ų | 73 | 68.4 Ų | 68.4 | 28% | 0.275 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 122.3 | 172 | -175.2 | 179.1 | 169 | -139.3 | -14.1 | 110 | G1621 L1622 I1624 E1666 N1708 | G1621-R1660 CarbonylContact C-O 3.53Å; G1621-R1660 WeakPolarHBondContact CA-O 3.37Å; L1622-R1660 PolarHBondContact N-O 3.46Å; L1622-R1660 PolarHBondContact O-N 2.8Å; I1624-R1660 HydrophobicContact CD1-CB 3.95Å; I1624-R1660 HydrophobicContact CG1-CB 4.03Å; R1660-E1666 IonicContact CZ-OE1 2.8Å; R1660-E1666 IonicContact CZ-OE2 2.95Å; R1660-E1666 IonicContact NH1-OE1 3.77Å; R1660-E1666 PolarHBondContact NH1-OE1 3.17Å; R1660-E1666 VanDerWaalsContact NH1-OE1 3.16Å; R1660-E1666 IonicContact NH1-OE2 2.75Å; R1660-E1666 IonicContact NH2-OE1 3.73Å; R1660-E1666 PolarHBondContact NH2-OE1 3.31Å; R1660-E1666 IonicContact NH2-OE2 2.82Å; R1660-E1666 PolarHBondContact NH2-OE2 3.28Å; R1660-N1708 CarbonylContact C-O 3.51Å; R1660-N1708 WeakPolarHBondContact CA-O 3.49Å; R1660-N1708 PolarHBondContact NE-ND2 3.2Å; R1660-N1708 VanDerWaalsContact NE-ND2 3.16Å |
| 1661 | W | 75.6 | Confident | 52.2 | Low | 35 Ų | 35 | 71.7 Ų | 71.7 | 13% | 0.133 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 137.4 | 170.4 | -62.3 | 114.5 | 0 | 0 | 0 | 111 | F1609 C1611 W1619 N1708 D1710 V1712 | F1609-W1661 HydrophobicContact CE2-CE3 4.44Å; F1609-W1661 AromaticContact CE2-CH2 3.86Å; F1609-W1661 HydrophobicContact CE2-CH2 3.86Å; F1609-W1661 AromaticContact CE2-CZ3 3.63Å; F1609-W1661 HydrophobicContact CE2-CZ3 3.63Å; F1609-W1661 HydrophobicContact CZ-CE3 4.29Å; F1609-W1661 HydrophobicContact CZ-CH2 4.19Å; F1609-W1661 AromaticContact CZ-CZ3 3.89Å; F1609-W1661 HydrophobicContact CZ-CZ3 3.89Å; C1611-W1661 HydrophobicContact CB-CH2 3.65Å; C1611-W1661 HydrophobicContact CB-CZ3 3.9Å; W1619-W1661 HydrophobicContact CB-CE3 3.95Å; W1619-W1661 HydrophobicContact CB-CH2 4.34Å; W1619-W1661 HydrophobicContact CB-CZ3 3.62Å; W1619-W1661 HydrophobicContact CE3-CB 4.42Å; W1619-W1661 AromaticContact CE3-CD2 3.88Å; W1619-W1661 HydrophobicContact CE3-CD2 3.88Å; W1619-W1661 AromaticContact CE3-CE3 3.93Å; W1619-W1661 HydrophobicContact CE3-CE3 3.93Å; W1619-W1661 HydrophobicContact CE3-CG 4.12Å; W1619-W1661 HydrophobicContact CZ3-CB 4.48Å; W1619-W1661 HydrophobicContact CZ3-CD2 4.47Å; W1619-W1661 HydrophobicContact CZ3-CG 4.29Å; W1661-N1708 PolarHBondContact N-O 2.84Å; W1661-D1710 PolarHBondContact NE1-OD2 2.78Å; W1661-V1712 HydrophobicContact CH2-CG2 4.4Å; W1661-V1712 HydrophobicContact CZ2-CG2 3.9Å |
| 1662 | L | 68.4 | Low | 51.7 | Low | 20 Ų | 20 | 75.6 Ų | 75.6 | 11% | 0.105 | 40% | 0.395 | C | S | . | . | trans | -101 | 107.5 | -173.6 | -78.7 | 173.8 | 0 | 0 | 0 | 112.4 | L1608 R1620 L1622 E1666 | L1608-L1662 HydrophobicContact CD2-CD1 3.58Å; R1620-L1662 HydrophobicContact CG-CB 4.02Å; R1620-L1662 PolarHBondContact NE-O 2.8Å; R1620-L1662 PolarHBondContact O-N 2.85Å; L1622-L1662 HydrophobicContact CD1-CD1 4.39Å; L1622-L1662 HydrophobicContact CD1-CD2 3.87Å; L1622-L1662 HydrophobicContact CD1-CG 4.38Å; L1622-L1662 HydrophobicContact CG-CD1 4.04Å; L1622-L1662 HydrophobicContact CG-CD2 4.33Å; L1622-L1662 HydrophobicContact CG-CG 4.29Å; L1662-E1666 HydrophobicContact CD2-CB 4.3Å; L1662-E1666 WeakPolarHBondContact CD2-OE2 3.25Å | ||
| 1663 | D | 57.7 | Low | 50.9 | Low | 110 Ų | 110 | 76.6 Ų | 76.6 | 59% | 0.588 | 40% | 0.404 | S | S | * | . | trans | -50.7 | 145.5 | 175.2 | -83 | -34 | 0 | 0 | 0 | 112.3 | R1620 N1665 E1666 | R1620-D1663 PolarHBondContact NH2-O 3.42Å; D1663-N1665 PolarHBondContact O-N 3.12Å; D1663-E1666 PolarHBondContact O-N 3.26Å; D1663-E1666 VanDerWaalsContact O-N 3.08Å | ||
| 1664 | E | 50.2 | Low | 49.9 | Very low | 99 Ų | 99 | 81.7 Ų | 81.7 | 46% | 0.463 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -40.4 | -35.9 | -173.6 | -63.6 | 176.5 | -178.5 | 0 | 0 | 115.6 | R1620 | R1620-E1664 PolarHBondContact NH2-O 2.87Š|
| 1665 | N | 46.6 | Very low | 48.9 | Very low | 130 Ų | 130 | 85.6 Ų | 85.6 | 70% | 0.695 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.8 | 0.9 | -169.1 | -65.7 | -82.4 | 0 | 0 | 0 | 115.2 | D1663 P1667 | D1663-N1665 PolarHBondContact O-N 3.12Å; N1665-P1667 VanDerWaalsContact O-CD 3.31Å; N1665-P1667 WeakPolarHBondContact O-CD 3.47Å |
| 1666 | E | 44.6 | Very low | 47.4 | Very low | 69 Ų | 69 | 89.8 Ų | 89.8 | 32% | 0.322 | 49% | 0.493 | S | S | . | . | trans | -74.1 | 120.5 | 173.1 | -82.8 | -175.3 | 128.4 | 0 | 0 | 111.2 | R1660 L1662 D1663 | R1660-E1666 IonicContact CZ-OE1 2.8Å; R1660-E1666 IonicContact CZ-OE2 2.95Å; R1660-E1666 IonicContact NH1-OE1 3.77Å; R1660-E1666 PolarHBondContact NH1-OE1 3.17Å; R1660-E1666 VanDerWaalsContact NH1-OE1 3.16Å; R1660-E1666 IonicContact NH1-OE2 2.75Å; R1660-E1666 IonicContact NH2-OE1 3.73Å; R1660-E1666 PolarHBondContact NH2-OE1 3.31Å; R1660-E1666 IonicContact NH2-OE2 2.82Å; R1660-E1666 PolarHBondContact NH2-OE2 3.28Å; L1662-E1666 HydrophobicContact CD2-CB 4.3Å; L1662-E1666 WeakPolarHBondContact CD2-OE2 3.25Å; D1663-E1666 PolarHBondContact O-N 3.26Å; D1663-E1666 VanDerWaalsContact O-N 3.08Å | ||
| 1667 | P | 44.5 | Very low | 45.7 | Very low | 91 Ų | 91 | 96 Ų | 96 | 59% | 0.591 | 53% | 0.525 | S | S | * | . | trans | -91.8 | 140.2 | 178.1 | 35.3 | -31.4 | 0 | 0 | 0 | 111.9 | N1665 Y1669 | N1665-P1667 VanDerWaalsContact O-CD 3.31Å; N1665-P1667 WeakPolarHBondContact O-CD 3.47Å; P1667-Y1669 HydrophobicContact CG-CD2 4Å; P1667-Y1669 HydrophobicContact CG-CE2 3.88Å; P1667-Y1669 PolarHBondContact O-N 2.82Å | ||
| 1668 | C | 42.6 | Very low | 43.4 | Very low | 83 Ų | 83 | 98.4 Ų | 98.4 | 56% | 0.561 | 55% | 0.553 | S | S | * | * | trans | -73.2 | 85.8 | -179.7 | -54.7 | 0 | 0 | 0 | 0 | 112.4 | L1608 G1670 | L1608-C1668 HydrophobicContact CD1-CB 4.48Å; C1668-G1670 PolarHBondContact O-N 3.26Å | ||
| 1669 | Y | 33.2 | Very low | 41 | Very low | 200 Ų | 200 | 105.1 Ų | 105.1 | 78% | 0.784 | 59% | 0.589 | S | S | * | * | trans | -73.5 | 85.8 | 171.7 | -90.4 | -82.3 | 0 | 0 | 0 | 111.8 | P1667 D1671 | P1667-Y1669 HydrophobicContact CG-CD2 4Å; P1667-Y1669 HydrophobicContact CG-CE2 3.88Å; P1667-Y1669 PolarHBondContact O-N 2.82Å; Y1669-D1671 VanDerWaalsContact C-N 3.31Å | ||
| 1670 | G | 31.6 | Very low | 38.5 | Very low | 68 Ų | 68 | 110.3 Ų | 110.3 | 70% | 0.701 | 63% | 0.625 | S | S | * | * | trans | -79.6 | -3.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | C1668 M1672 | C1668-G1670 PolarHBondContact O-N 3.26Å; G1670-M1672 PolarHBondContact O-N 3.4Å | ||
| 1671 | D | 25.4 | Very low | 36 | Very low | 150 Ų | 150 | 112.9 Ų | 112.9 | 80% | 0.802 | 65% | 0.65 | S | S | * | * | trans | -91.2 | 70.2 | -173.1 | -75.5 | -34.1 | 0 | 0 | 0 | 113.3 | Y1669 | Y1669-D1671 VanDerWaalsContact C-N 3.31Š| ||
| 1672 | M | 23.6 | Very low | 33.5 | Very low | 187 Ų | 187 | 120.1 Ų | 120.1 | 92% | 0.921 | 69% | 0.687 | S | S | * | * | trans | -125.4 | 28.3 | 167.1 | -81.3 | -110.6 | -72.8 | 0 | 0 | 112.8 | G1670 | G1670-M1672 PolarHBondContact O-N 3.4Š| ||
| 1673 | I | 23.8 | Very low | 31.3 | Very low | 139 Ų | 139 | 126.8 Ų | 126.8 | 71% | 0.713 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -131.2 | 144.6 | 171.7 | -54.2 | -178.4 | 0 | 0 | 0 | 108.5 | ||
| 1674 | N | 23.6 | Very low | 29.5 | Very low | 143 Ų | 143 | 125.9 Ų | 125.9 | 77% | 0.765 | 73% | 0.725 | S | S | * | * | trans | 73.9 | 61 | 177.7 | -56.4 | -39.7 | 0 | 0 | 0 | 118.1 | ||||
| 1675 | S | 24.4 | Very low | 28.2 | Very low | 122 Ų | 122 | 126.9 Ų | 126.9 | 85% | 0.853 | 73% | 0.734 | S | S | * | * | trans | -109.9 | 62.9 | 144.7 | 50.7 | 0 | 0 | 0 | 0 | 110.9 | N1677 | S1675-N1677 VanDerWaalsContact C-N 3.29Å; S1675-N1677 PolarHBondContact O-N 3.07Å | ||
| 1676 | S | 23.5 | Very low | 27.1 | Very low | 109 Ų | 109 | 130.9 Ų | 130.9 | 76% | 0.762 | 74% | 0.741 | S | S | * | * | trans | -72.9 | 74 | 178.6 | 45.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1677 | N | 25.4 | Very low | 26.1 | Very low | 162 Ų | 162 | 131.9 Ų | 131.9 | 87% | 0.866 | 76% | 0.755 | S | S | * | * | trans | -141.3 | 106.1 | 175.3 | -106.7 | -34.1 | 0 | 0 | 0 | 114 | S1675 | S1675-N1677 VanDerWaalsContact C-N 3.29Å; S1675-N1677 PolarHBondContact O-N 3.07Å | ||
| 1678 | G | 23.5 | Very low | 25.2 | Very low | 63 Ų | 63 | 133.5 Ų | 133.5 | 65% | 0.649 | 76% | 0.755 | S | S | * | * | trans | 75.8 | 68.7 | 132 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1679 | N | 22.3 | Very low | 24.4 | Very low | 155 Ų | 155 | 136 Ų | 136 | 83% | 0.829 | 76% | 0.763 | S | S | * | * | trans | 70.7 | 144.8 | 141.9 | -57.3 | -31.6 | 0 | 0 | 0 | 121.4 | ||||
| 1680 | S | 22.6 | Very low | 24.1 | Very low | 108 Ų | 108 | 134.6 Ų | 134.6 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | trans | 82.3 | 142.2 | 147.9 | 71.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1681 | T | 23.6 | Very low | 23.7 | Very low | 128 Ų | 128 | 136.3 Ų | 136.3 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | trans | 53.8 | 83.4 | 165 | 50.4 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1682 | M | 22.3 | Very low | 23.7 | Very low | 187 Ų | 187 | 133 Ų | 133 | 92% | 0.921 | 75% | 0.754 | S | S | * | * | 17.2 | 109.8 | 122.4 | -65.3 | -69.2 | -165.1 | 0 | 0 | 116.8 | |||||
| 1683 | N | 21.8 | Very low | 23.8 | Very low | 159 Ų | 159 | 132.3 Ų | 132.3 | 85% | 0.85 | 75% | 0.753 | S | S | * | * | -154 | 137.8 | 125.1 | -134 | -11.6 | 0 | 0 | 0 | 111.6 | |||||
| 1684 | S | 21.6 | Very low | 23.7 | Very low | 91 Ų | 91 | 129.2 Ų | 129.2 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | trans | -78.5 | 123.6 | 175.1 | 49.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1685 | N | 21.7 | Very low | 23.7 | Very low | 121 Ų | 121 | 130.8 Ų | 130.8 | 65% | 0.647 | 75% | 0.746 | S | S | * | * | trans | -176.8 | 45.2 | 154.8 | -97.2 | -6.6 | 0 | 0 | 0 | 114.4 | ||||
| 1686 | Y | 24.1 | Very low | 23.7 | Very low | 214 Ų | 214 | 130.8 Ų | 130.8 | 84% | 0.839 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -133.7 | 2.6 | 169.9 | -93.2 | -74.5 | 0 | 0 | 0 | 115.6 | ||
| 1687 | S | 23.2 | Very low | 23.6 | Very low | 89 Ų | 89 | 132.9 Ų | 132.9 | 62% | 0.622 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -84.9 | -1.3 | 173.2 | 47.9 | 0 | 0 | 0 | 0 | 114.4 | ||
| 1688 | Q | 24.6 | Very low | 23.6 | Very low | 125 Ų | 125 | 133 Ų | 133 | 58% | 0.584 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -87.1 | -20.6 | -173.8 | -74.4 | -172.9 | -37 | 0 | 0 | 115.2 | L1690 L1691 A1692 | Q1688-L1690 VanDerWaalsContact C-N 3.26Å; Q1688-L1690 PolarHBondContact O-N 3.43Å; Q1688-L1691 PolarHBondContact O-N 3.45Å; Q1688-A1692 PolarHBondContact O-N 3.4Å; Q1688-A1692 VanDerWaalsContact O-N 3.15Å |
| 1689 | N | 26.5 | Very low | 23.6 | Very low | 137 Ų | 137 | 137.5 Ų | 137.5 | 73% | 0.733 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -5.3 | -174 | -74.3 | 4.1 | 0 | 0 | 0 | 115.3 | ||
| 1690 | L | 26.7 | Very low | 23.6 | Very low | 169 Ų | 169 | 133.3 Ų | 133.3 | 89% | 0.885 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.2 | -10.2 | 167.7 | -90.3 | 166 | 0 | 0 | 0 | 113.5 | Q1688 | Q1688-L1690 VanDerWaalsContact C-N 3.26Å; Q1688-L1690 PolarHBondContact O-N 3.43Å |
| 1691 | L | 23.9 | Very low | 23.6 | Very low | 104 Ų | 104 | 132.7 Ų | 132.7 | 55% | 0.545 | 74% | 0.743 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96 | 4 | 172.7 | -77.5 | 166.9 | 0 | 0 | 0 | 113 | Q1688 L1693 S1694 | Q1688-L1691 PolarHBondContact O-N 3.45Å; L1691-L1693 PolarHBondContact O-N 3.25Å; L1691-S1694 PolarHBondContact O-N 3.46Å; L1691-S1694 PolarHBondContact O-OG 3.2Å |
| 1692 | A | 25.2 | Very low | 23.6 | Very low | 82 Ų | 82 | 134.7 Ų | 134.7 | 68% | 0.678 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -6.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115 | Q1688 | Q1688-A1692 PolarHBondContact O-N 3.4Å; Q1688-A1692 VanDerWaalsContact O-N 3.15Å |
| 1693 | L | 24.6 | Very low | 24 | Very low | 172 Ų | 172 | 130.9 Ų | 130.9 | 90% | 0.901 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | -7.2 | 171.8 | -79.4 | 165.5 | 0 | 0 | 0 | 113.6 | L1691 | L1691-L1693 PolarHBondContact O-N 3.25Š|
| 1694 | S | 23.7 | Very low | 24.7 | Very low | 73 Ų | 73 | 131.5 Ų | 131.5 | 51% | 0.51 | 73% | 0.727 | S | S | . | * | S | Bend | trans | -137.9 | 44.7 | -170.5 | 70.8 | 0 | 0 | 0 | 0 | 114.5 | L1691 | L1691-S1694 PolarHBondContact O-N 3.46Å; L1691-S1694 PolarHBondContact O-OG 3.2Å |
| 1695 | E | 22.5 | Very low | 25.5 | Very low | 176 Ų | 176 | 132.6 Ų | 132.6 | 82% | 0.822 | 73% | 0.725 | S | S | * | * | trans | -171.6 | 70.2 | 156.9 | -111.7 | 172.2 | -139.9 | 0 | 0 | 113.2 | ||||
| 1696 | T | 24.1 | Very low | 26.5 | Very low | 122 Ų | 122 | 130.3 Ų | 130.3 | 75% | 0.748 | 72% | 0.717 | S | S | * | * | trans | -125.9 | 107 | 152.8 | 49.8 | 0 | 0 | 0 | 0 | 109.5 | H1698 | T1696-H1698 PolarHBondContact O-N 3.49Š| ||
| 1697 | N | 22.2 | Very low | 27.8 | Very low | 154 Ų | 154 | 125 Ų | 125 | 82% | 0.824 | 70% | 0.703 | S | S | * | * | trans | -77.2 | 59.9 | -177.1 | -82.1 | -59.2 | 0 | 0 | 0 | 112.2 | ||||
| 1698 | H | 25.1 | Very low | 29.4 | Very low | 164 Ų | 164 | 122.6 Ų | 122.6 | 76% | 0.759 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -130.6 | 122.7 | 169.8 | -70.1 | -48.1 | 0 | 0 | 0 | 110 | T1696 G1700 | T1696-H1698 PolarHBondContact O-N 3.49Å; H1698-G1700 PolarHBondContact O-N 3.49Å |
| 1699 | T | 22.8 | Very low | 31.4 | Very low | 157 Ų | 157 | 118.6 Ų | 118.6 | 96% | 0.963 | 67% | 0.665 | S | S | * | * | trans | -54.2 | 97.2 | -179.8 | 48.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1700 | G | 22.6 | Very low | 33 | Very low | 67 Ų | 67 | 115.7 Ų | 115.7 | 69% | 0.691 | 65% | 0.65 | S | S | * | * | trans | -155.9 | 101 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | H1698 | H1698-G1700 PolarHBondContact O-N 3.49Š| ||
| 1701 | S | 23.4 | Very low | 34.9 | Very low | 95 Ų | 95 | 112.6 Ų | 112.6 | 66% | 0.664 | 63% | 0.631 | S | S | * | * | trans | -21 | 127 | 176 | 179.7 | 0 | 0 | 0 | 0 | 116.3 | N1703 | S1701-N1703 PolarHBondContact O-N 3.03Å; S1701-N1703 PolarHBondContact OG-ND2 2.85Å; S1701-N1703 VanDerWaalsContact OG-ND2 3.1Å | ||
| 1702 | L | 23.3 | Very low | 36.7 | Very low | 170 Ų | 170 | 108.2 Ų | 108.2 | 89% | 0.89 | 61% | 0.608 | S | S | * | * | trans | -74.2 | 34.7 | -175.7 | -155.6 | 117.2 | 0 | 0 | 0 | 113.9 | ||||
| 1703 | N | 30.7 | Very low | 38.5 | Very low | 107 Ų | 107 | 105.2 Ų | 105.2 | 57% | 0.572 | 58% | 0.58 | S | S | * | * | trans | -104.8 | 78.4 | -165.6 | -76.3 | -4.2 | 0 | 0 | 0 | 113.1 | S1701 | S1701-N1703 PolarHBondContact O-N 3.03Å; S1701-N1703 PolarHBondContact OG-ND2 2.85Å; S1701-N1703 VanDerWaalsContact OG-ND2 3.1Å | ||
| 1704 | K | 35.7 | Very low | 40.5 | Very low | 172 Ų | 172 | 97.5 Ų | 97.5 | 75% | 0.748 | 54% | 0.541 | S | S | * | . | trans | 176.4 | 110 | 146.7 | -97 | 145.2 | -166.1 | 163.9 | 0 | 112.6 | ||||
| 1705 | L | 38.3 | Very low | 42.3 | Very low | 114 Ų | 114 | 95.1 Ų | 95.1 | 60% | 0.597 | 52% | 0.521 | S | S | * | . | trans | -77.1 | 149.2 | 156.5 | -74.9 | 162.5 | 0 | 0 | 0 | 109.6 | I1709 | L1705-I1709 HydrophobicContact CD2-CD1 4.08Š| ||
| 1706 | P | 43.6 | Very low | 44.2 | Very low | 74 Ų | 74 | 88 Ų | 88 | 48% | 0.481 | 49% | 0.488 | S | S | . | . | trans | -57.1 | 141.8 | 171.5 | -28.9 | 33.3 | 0 | 0 | 0 | 115.3 | N1708 I1709 | P1706-N1708 PolarHBondContact O-N 2.84Å; P1706-I1709 HydrophobicContact CB-CD1 4.21Å; P1706-I1709 HydrophobicContact CB-CG1 4.28Å; P1706-I1709 HydrophobicContact CG-CD1 4.05Å; P1706-I1709 PolarHBondContact O-N 2.73Å | ||
| 1707 | D | 50.2 | Low | 46.2 | Very low | 102 Ų | 102 | 82.6 Ų | 82.6 | 55% | 0.545 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -11 | -178.1 | -54.9 | 1.8 | 0 | 0 | 0 | 116.2 | I1301 | I1301-D1707 HydrophobicContact CB-CB 4.32Š|
| 1708 | N | 58.7 | Low | 48.2 | Very low | 39 Ų | 39 | 77 Ų | 77 | 21% | 0.209 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | 14.5 | 179.6 | 62.4 | -1.7 | 0 | 0 | 0 | 113.7 | R1660 W1661 P1706 | R1660-N1708 CarbonylContact C-O 3.51Å; R1660-N1708 WeakPolarHBondContact CA-O 3.49Å; R1660-N1708 PolarHBondContact NE-ND2 3.2Å; R1660-N1708 VanDerWaalsContact NE-ND2 3.16Å; W1661-N1708 PolarHBondContact N-O 2.84Å; P1706-N1708 PolarHBondContact O-N 2.84Å |
| 1709 | I | 64.7 | Low | 50.2 | Low | 41 Ų | 41 | 72 Ų | 72 | 21% | 0.21 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 137.2 | 174.6 | -59.3 | -176.7 | 0 | 0 | 0 | 110 | I1624 L1658 V1659 L1705 P1706 | I1624-I1709 HydrophobicContact CD1-CB 4.27Å; I1624-I1709 HydrophobicContact CD1-CD1 3.83Å; I1624-I1709 HydrophobicContact CD1-CG1 3.81Å; I1624-I1709 HydrophobicContact CD1-CG2 3.62Å; L1658-I1709 HydrophobicContact CD1-CG2 3.67Å; L1658-I1709 HydrophobicContact CD2-CG2 4.04Å; L1658-I1709 HydrophobicContact CG-CG2 3.61Å; V1659-I1709 CarbonylContact O-C 3.54Å; V1659-I1709 VanDerWaalsContact O-CA 3.28Å; V1659-I1709 WeakPolarHBondContact O-CA 3.08Å; L1705-I1709 HydrophobicContact CD2-CD1 4.08Å; P1706-I1709 HydrophobicContact CB-CD1 4.21Å; P1706-I1709 HydrophobicContact CB-CG1 4.28Å; P1706-I1709 HydrophobicContact CG-CD1 4.05Å; P1706-I1709 PolarHBondContact O-N 2.73Å |
| 1710 | D | 61.7 | Low | 52 | Low | 75 Ų | 75 | 68.3 Ų | 68.3 | 40% | 0.401 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 168.4 | -171.9 | -147.1 | -17.2 | 0 | 0 | 0 | 111.6 | V1659 W1661 | V1659-D1710 HydrophobicContact CG2-CB 4.26Å; V1659-D1710 WeakPolarHBondContact CG2-O 3.08Å; V1659-D1710 PolarHBondContact N-O 2.76Å; V1659-D1710 PolarHBondContact O-N 3.47Å; W1661-D1710 PolarHBondContact NE1-OD2 2.78Å |
| 1711 | H | 65.3 | Low | 53.3 | Low | 105 Ų | 105 | 73.6 Ų | 73.6 | 49% | 0.486 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 119.1 | 176.7 | -65.7 | -96.4 | 0 | 0 | 0 | 110.5 | L1627 | L1627-H1711 WeakPolarHBondContact CD1-ND1 3.43Å |
| 1712 | V | 61.5 | Low | 54.3 | Low | 11 Ų | 11 | 72.5 Ų | 72.5 | 7% | 0.067 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 141.9 | -174.9 | -179.4 | 0 | 0 | 0 | 0 | 111.1 | Y1657 V1659 W1661 D1716 M1717 | Y1657-V1712 PolarHBondContact N-O 3.01Å; Y1657-V1712 PolarHBondContact O-N 2.91Å; V1659-V1712 HydrophobicContact CG2-CB 3.85Å; V1659-V1712 HydrophobicContact CG2-CG2 3.45Å; V1659-V1712 VanDerWaalsContact CG2-CG2 3.45Å; W1661-V1712 HydrophobicContact CH2-CG2 4.4Å; W1661-V1712 HydrophobicContact CZ2-CG2 3.9Å; V1712-D1716 HydrophobicContact CG1-CB 3.65Å; V1712-M1717 HydrophobicContact CB-CG 4.43Å; V1712-M1717 HydrophobicContact CB-SD 4.42Å; V1712-M1717 HydrophobicContact CG1-CG 3.62Å; V1712-M1717 HydrophobicContact CG1-SD 4.15Å |
| 1713 | N | 64.3 | Low | 54.7 | Low | 19 Ų | 19 | 72.6 Ų | 72.6 | 10% | 0.102 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 153.3 | -179.8 | -46.9 | -78.3 | 0 | 0 | 0 | 111.5 | W1715 D1716 | N1713-W1715 HydrophobicContact CB-CD2 4.12Å; N1713-W1715 HydrophobicContact CB-CG 4.36Å; N1713-W1715 HydrophobicContact CB-CZ2 3.91Å; N1713-W1715 PolarHBondContact O-N 3.15Å; N1713-D1716 VanDerWaalsContact CB-OD2 3.31Å; N1713-D1716 WeakPolarHBondContact CB-OD2 3.2Å; N1713-D1716 PolarHBondContact N-OD2 2.77Å; N1713-D1716 PolarHBondContact ND2-OD2 3.07Å; N1713-D1716 PolarHBondContact O-N 3.45Å |
| 1714 | S | 65.1 | Low | 54.6 | Low | 10 Ų | 10 | 72.6 Ų | 72.6 | 7% | 0.07 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -30.8 | 179.3 | -165.9 | 0 | 0 | 0 | 0 | 114.5 | S1598 W1603 | S1598-S1714 WeakPolarHBondContact CB-O 3.27Å; S1598-S1714 PolarHBondContact O-OG 3.27Å; W1603-S1714 PolarHBondContact NE1-OG 3.17Å |
| 1715 | W | 62 | Low | 54.2 | Low | 24 Ų | 24 | 69.7 Ų | 69.7 | 9% | 0.091 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -16.3 | -178.6 | 54.9 | 63.1 | 0 | 0 | 0 | 114.7 | P1336 F1338 I1590 F1595 S1598 L1653 N1713 | P1336-W1715 HydrophobicContact CG-CH2 4.45Å; F1338-W1715 HydrophobicContact CE1-CZ2 4.03Å; F1338-W1715 HydrophobicContact CZ-CZ2 4.17Å; I1590-W1715 HydrophobicContact CD1-CB 4.49Å; I1590-W1715 HydrophobicContact CD1-CD2 4.25Å; I1590-W1715 HydrophobicContact CD1-CG 3.99Å; F1595-W1715 HydrophobicContact CD2-CE3 4.15Å; F1595-W1715 AromaticContact CE2-CE3 3.79Å; F1595-W1715 HydrophobicContact CE2-CE3 3.79Å; F1595-W1715 HydrophobicContact CE2-CZ3 4.11Å; S1598-W1715 WeakPolarHBondContact OG-CB 3.25Å; L1653-W1715 HydrophobicContact CD2-CZ3 4.08Å; N1713-W1715 HydrophobicContact CB-CD2 4.12Å; N1713-W1715 HydrophobicContact CB-CG 4.36Å; N1713-W1715 HydrophobicContact CB-CZ2 3.91Å; N1713-W1715 PolarHBondContact O-N 3.15Å |
| 1716 | D | 62.3 | Low | 53.6 | Low | 26 Ų | 26 | 71.2 Ų | 71.2 | 14% | 0.139 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -20 | 174.6 | -55.9 | -43.8 | 0 | 0 | 0 | 111.1 | V1712 N1713 Y1718 | V1712-D1716 HydrophobicContact CG1-CB 3.65Å; N1713-D1716 VanDerWaalsContact CB-OD2 3.31Å; N1713-D1716 WeakPolarHBondContact CB-OD2 3.2Å; N1713-D1716 PolarHBondContact N-OD2 2.77Å; N1713-D1716 PolarHBondContact ND2-OD2 3.07Å; N1713-D1716 PolarHBondContact O-N 3.45Å; D1716-Y1718 VanDerWaalsContact O-CD2 3.27Å; D1716-Y1718 WeakPolarHBondContact O-CD2 3.38Å; D1716-Y1718 WeakPolarHBondContact O-CE2 3.26Å |
| 1717 | M | 67 | Low | 52.7 | Low | 8 Ų | 8 | 74.6 Ų | 74.6 | 4% | 0.039 | 39% | 0.386 | C | S | . | . | trans | -93.3 | 128.3 | -177.4 | -60.2 | 163.8 | 61.7 | 0 | 0 | 111.2 | W1603 F1609 V1623 Y1657 V1659 V1712 | W1603-M1717 HydrophobicContact CD2-CE 3.57Å; W1603-M1717 HydrophobicContact CE3-CE 3.83Å; W1603-M1717 HydrophobicContact CG-CE 3.93Å; W1603-M1717 HydrophobicContact CH2-CB 3.91Å; W1603-M1717 HydrophobicContact CH2-CE 4.35Å; W1603-M1717 HydrophobicContact CZ2-CB 3.41Å; W1603-M1717 VanDerWaalsContact CZ2-CB 3.41Å; W1603-M1717 HydrophobicContact CZ2-CE 4.17Å; W1603-M1717 WeakPolarHBondContact CZ2-O 3.26Å; W1603-M1717 HydrophobicContact CZ3-CE 4.21Å; F1609-M1717 HydrophobicContact CB-CB 4.14Å; F1609-M1717 HydrophobicContact CB-CE 4.42Å; F1609-M1717 HydrophobicContact CD1-CE 3.94Å; F1609-M1717 HydrophobicContact CD2-CB 3.95Å; F1609-M1717 HydrophobicContact CD2-CG 3.74Å; F1609-M1717 HydrophobicContact CE1-CE 4.36Å; F1609-M1717 HydrophobicContact CE2-CG 4.01Å; F1609-M1717 HydrophobicContact CG-CB 4.15Å; F1609-M1717 HydrophobicContact CG-CE 4.08Å; F1609-M1717 HydrophobicContact CG-CG 4.11Å; V1623-M1717 HydrophobicContact CG2-CE 3.43Å; V1623-M1717 VanDerWaalsContact CG2-CE 3.43Å; Y1657-M1717 HydrophobicContact CD2-SD 3.99Å; Y1657-M1717 HydrophobicContact CG-CE 4.41Å; Y1657-M1717 HydrophobicContact CG-SD 4.28Å; V1659-M1717 HydrophobicContact CG1-CE 4.06Å; V1659-M1717 HydrophobicContact CG1-SD 4.26Å; V1712-M1717 HydrophobicContact CB-CG 4.43Å; V1712-M1717 HydrophobicContact CB-SD 4.42Å; V1712-M1717 HydrophobicContact CG1-CG 3.62Å; V1712-M1717 HydrophobicContact CG1-SD 4.15Å | ||
| 1718 | Y | 64.4 | Low | 51.5 | Low | 38 Ų | 38 | 76.4 Ų | 76.4 | 15% | 0.149 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 127.5 | 177.5 | -60 | -110.6 | 0 | 0 | 0 | 108.8 | I1594 F1609 I1610 P1612 W1618 D1716 W1720 L1760 | I1594-Y1718 HydrophobicContact CD1-CE1 3.98Å; I1594-Y1718 HydrophobicContact CG1-CE1 4.25Å; I1594-Y1718 HydrophobicContact CG2-CD1 4.5Å; I1594-Y1718 HydrophobicContact CG2-CE1 3.61Å; F1609-Y1718 CarbonylContact C-O 3.58Å; F1609-Y1718 VanDerWaalsContact CA-O 3.28Å; F1609-Y1718 WeakPolarHBondContact CA-O 3.45Å; I1610-Y1718 PolarHBondContact N-O 2.83Å; I1610-Y1718 PolarHBondContact O-N 2.93Å; P1612-Y1718 VanDerWaalsContact CD-CE2 3.43Å; P1612-Y1718 HydrophobicContact CG-CE2 3.94Å; W1618-Y1718 HydrophobicContact CZ3-CD1 4.47Å; W1618-Y1718 AromaticContact CZ3-CD2 3.95Å; W1618-Y1718 HydrophobicContact CZ3-CD2 3.95Å; W1618-Y1718 HydrophobicContact CZ3-CE2 4.17Å; W1618-Y1718 HydrophobicContact CZ3-CG 4.14Å; D1716-Y1718 VanDerWaalsContact O-CD2 3.27Å; D1716-Y1718 WeakPolarHBondContact O-CD2 3.38Å; D1716-Y1718 WeakPolarHBondContact O-CE2 3.26Å; Y1718-W1720 PolarHBondContact O-N 2.82Å; Y1718-L1760 HydrophobicContact CD1-CD2 3.55Å; Y1718-L1760 HydrophobicContact CD1-CG 3.99Å; Y1718-L1760 HydrophobicContact CE1-CD2 4.05Å; Y1718-L1760 HydrophobicContact CG-CD2 4.13Å |
| 1719 | K | 66.6 | Low | 49.9 | Very low | 59 Ų | 59 | 84.5 Ų | 84.5 | 26% | 0.257 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 123.5 | -172.1 | -163.5 | 172.6 | -164.8 | 91 | 0 | 111.6 | W1603 D1607 Y1721 | W1603-K1719 HydrophobicContact CH2-CB 3.97Å; W1603-K1719 HydrophobicContact CH2-CG 4.42Å; W1603-K1719 HydrophobicContact CZ3-CB 4.38Å; W1603-K1719 HydrophobicContact CZ3-CG 4.32Å; D1607-K1719 IonicContact OD1-NZ 3.14Å; D1607-K1719 PolarHBondContact OD1-NZ 3.42Å; D1607-K1719 IonicContact OD2-NZ 3.6Å; D1607-K1719 PolarHBondContact OD2-NZ 3.2Å; D1607-K1719 VanDerWaalsContact OD2-NZ 3.14Å; K1719-Y1721 HydrophobicContact CB-CE2 4.3Å; K1719-Y1721 HydrophobicContact CD-CE1 4.43Å |
| 1720 | W | 60.7 | Low | 47.9 | Very low | 78 Ų | 78 | 86.5 Ų | 86.5 | 30% | 0.295 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -91.8 | 126.7 | 176.8 | -177.8 | -106.4 | 0 | 0 | 0 | 110.5 | L1608 I1610 Y1718 V1750 | L1608-W1720 HydrophobicContact CB-CB 4.18Å; L1608-W1720 PolarHBondContact O-N 3.25Å; I1610-W1720 HydrophobicContact CD1-CE3 3.98Å; I1610-W1720 HydrophobicContact CD1-CZ3 4.35Å; I1610-W1720 HydrophobicContact CG1-CE3 4.49Å; I1610-W1720 HydrophobicContact CG2-CB 4.3Å; I1610-W1720 HydrophobicContact CG2-CD2 4.24Å; I1610-W1720 HydrophobicContact CG2-CE3 3.95Å; I1610-W1720 HydrophobicContact CG2-CG 4.41Å; Y1718-W1720 PolarHBondContact O-N 2.82Å; W1720-V1750 HydrophobicContact CH2-CG1 3.61Å; W1720-V1750 HydrophobicContact CZ2-CG1 4.28Å; W1720-V1750 HydrophobicContact CZ3-CG1 3.79Å |
| 1721 | Y | 49.7 | Very low | 46 | Very low | 178 Ų | 178 | 87.7 Ų | 87.7 | 70% | 0.698 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -101.8 | 116.2 | 179.2 | -63.2 | -90.6 | 0 | 0 | 0 | 109.8 | K1719 | K1719-Y1721 HydrophobicContact CB-CE2 4.3Å; K1719-Y1721 HydrophobicContact CD-CE1 4.43Å |
| 1722 | A | 45.4 | Very low | 44 | Very low | 73 Ų | 73 | 88.5 Ų | 88.5 | 60% | 0.603 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -86.1 | 133.6 | 162.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | S1724 | A1722-S1724 PolarHBondContact O-N 3.22Š|
| 1723 | E | 31.4 | Very low | 42.1 | Very low | 172 Ų | 172 | 94.4 Ų | 94.4 | 80% | 0.804 | 52% | 0.518 | S | S | * | . | P | Polyproline II helix | trans | -73.6 | 117.9 | -179.6 | -71.7 | -170.3 | 138 | 0 | 0 | 112 | V1725 | E1723-V1725 PolarHBondContact O-N 2.83Š|
| 1724 | S | 29 | Very low | 40.2 | Very low | 107 Ų | 107 | 99.4 Ų | 99.4 | 75% | 0.748 | 55% | 0.549 | S | S | * | . | trans | -81.7 | 102.4 | 166.6 | 56.1 | 0 | 0 | 0 | 0 | 110 | A1722 D1726 | A1722-S1724 PolarHBondContact O-N 3.22Å; S1724-D1726 PolarHBondContact O-N 3.01Å; S1724-D1726 VanDerWaalsContact O-N 3.11Å | ||
| 1725 | V | 27 | Very low | 38.1 | Very low | 110 Ų | 110 | 101.9 Ų | 101.9 | 67% | 0.667 | 57% | 0.57 | S | S | * | * | trans | -80.5 | 94.2 | -177.2 | -169.1 | 0 | 0 | 0 | 0 | 111 | E1723 I1727 | E1723-V1725 PolarHBondContact O-N 2.83Å; V1725-I1727 VanDerWaalsContact C-N 3.33Å; V1725-I1727 HydrophobicContact CB-CG1 4.45Å; V1725-I1727 HydrophobicContact CG1-CD1 4.29Å; V1725-I1727 HydrophobicContact CG1-CG1 3.7Å; V1725-I1727 PolarHBondContact O-N 3.43Å | ||
| 1726 | D | 24 | Very low | 36.2 | Very low | 146 Ų | 146 | 108.2 Ų | 108.2 | 78% | 0.781 | 61% | 0.606 | S | S | * | * | trans | -70.1 | 79.9 | 174.3 | -98.9 | -36.2 | 0 | 0 | 0 | 112 | S1724 N1728 | S1724-D1726 PolarHBondContact O-N 3.01Å; S1724-D1726 VanDerWaalsContact O-N 3.11Å; D1726-N1728 PolarHBondContact O-N 3.22Å | ||
| 1727 | I | 26 | Very low | 34.2 | Very low | 146 Ų | 146 | 110.9 Ų | 110.9 | 75% | 0.749 | 63% | 0.627 | S | S | * | * | trans | -75.5 | 62.8 | 176.5 | -46.9 | 179.2 | 0 | 0 | 0 | 110.7 | V1725 | V1725-I1727 VanDerWaalsContact C-N 3.33Å; V1725-I1727 HydrophobicContact CB-CG1 4.45Å; V1725-I1727 HydrophobicContact CG1-CD1 4.29Å; V1725-I1727 HydrophobicContact CG1-CG1 3.7Å; V1725-I1727 PolarHBondContact O-N 3.43Å | ||
| 1728 | N | 24.3 | Very low | 32 | Very low | 139 Ų | 139 | 119.1 Ų | 119.1 | 74% | 0.743 | 67% | 0.665 | S | S | * | * | trans | -148.2 | 49.5 | -176.4 | -104.9 | -42.4 | 0 | 0 | 0 | 115.8 | D1726 | D1726-N1728 PolarHBondContact O-N 3.22Š| ||
| 1729 | K | 26.4 | Very low | 29.9 | Very low | 209 Ų | 209 | 126 Ų | 126 | 91% | 0.909 | 70% | 0.696 | S | S | * | * | trans | -168.1 | 114.3 | 145.9 | -97.9 | 135 | -164.5 | 167.6 | 0 | 111.4 | ||||
| 1730 | G | 22.3 | Very low | 27.7 | Very low | 84 Ų | 84 | 128.3 Ų | 128.3 | 87% | 0.866 | 72% | 0.715 | S | S | * | * | trans | -99.8 | 113.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1731 | S | 22.2 | Very low | 25.8 | Very low | 100 Ų | 100 | 129.1 Ų | 129.1 | 70% | 0.699 | 73% | 0.725 | S | S | * | * | trans | -165.1 | 117.2 | 156.1 | 58.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1732 | T | 22.6 | Very low | 24.6 | Very low | 121 Ų | 121 | 129.9 Ų | 129.9 | 74% | 0.742 | 73% | 0.728 | S | S | * | * | trans | 61.2 | 137.4 | 143.9 | 59.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1733 | N | 22.4 | Very low | 23.6 | Very low | 136 Ų | 136 | 129 Ų | 129 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | trans | 92.7 | 100.2 | 147.7 | -62.4 | -12.8 | 0 | 0 | 0 | 120.9 | ||||
| 1734 | T | 22.9 | Very low | 23.5 | Very low | 124 Ų | 124 | 122.5 Ų | 122.5 | 76% | 0.761 | 71% | 0.705 | S | S | * | * | 64.9 | 85.4 | 127.7 | 60.7 | 0 | 0 | 0 | 0 | 120.4 | D1736 | T1734-D1736 PolarHBondContact O-N 3.28Š| |||
| 1735 | A | 21.1 | Very low | 23.4 | Very low | 62 Ų | 62 | 123.4 Ų | 123.4 | 51% | 0.512 | 70% | 0.701 | S | S | . | * | 75.4 | 21.5 | 106.7 | 0 | 0 | 0 | 0 | 0 | 120.4 | R2257 | A1735-R2257 PolarHBondContact O-NH2 3.33Š| |||
| 1736 | D | 21.7 | Very low | 23.6 | Very low | 156 Ų | 156 | 122.6 Ų | 122.6 | 83% | 0.834 | 70% | 0.696 | S | S | * | * | trans | -85.4 | 129 | 143.3 | -88 | -50.4 | 0 | 0 | 0 | 109.7 | T1734 | T1734-D1736 PolarHBondContact O-N 3.28Š| ||
| 1737 | S | 21.1 | Very low | 24.1 | Very low | 83 Ų | 83 | 122.2 Ų | 122.2 | 58% | 0.58 | 69% | 0.694 | S | S | * | * | trans | -102.2 | 81.6 | 177.8 | 59.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1738 | E | 20.8 | Very low | 24.5 | Very low | 181 Ų | 181 | 116.6 Ų | 116.6 | 85% | 0.846 | 67% | 0.672 | S | S | * | * | trans | -55.9 | 138.6 | 170.2 | -63.4 | -177.4 | 131.1 | 0 | 0 | 109.4 | T1740 | E1738-T1740 PolarHBondContact O-N 3.08Š| ||
| 1739 | F | 20.2 | Very low | 25 | Very low | 183 Ų | 183 | 116 Ų | 116 | 80% | 0.803 | 66% | 0.66 | S | S | * | * | trans | -79.6 | 106.5 | -177.2 | -103.8 | -108.3 | 0 | 0 | 0 | 109 | L1741 | F1739-L1741 PolarHBondContact O-N 3.1Š| ||
| 1740 | T | 21.2 | Very low | 25.8 | Very low | 107 Ų | 107 | 106.9 Ų | 106.9 | 66% | 0.656 | 62% | 0.622 | S | S | * | * | trans | -54.5 | 125.7 | 178.4 | 47.1 | 0 | 0 | 0 | 0 | 111.6 | E1738 Y1742 | E1738-T1740 PolarHBondContact O-N 3.08Å; T1740-Y1742 PolarHBondContact O-N 2.84Å | ||
| 1741 | L | 21 | Very low | 26.7 | Very low | 94 Ų | 94 | 109 Ų | 109 | 49% | 0.492 | 61% | 0.609 | S | S | . | * | trans | -57.7 | 129 | 169.7 | -91.3 | 68.4 | 0 | 0 | 0 | 109.9 | F1739 | F1739-L1741 PolarHBondContact O-N 3.1Š| ||
| 1742 | Y | 24 | Very low | 27.9 | Very low | 195 Ų | 195 | 104.8 Ų | 104.8 | 77% | 0.765 | 58% | 0.578 | S | S | * | * | trans | -116.9 | 85.6 | 167.8 | -89.9 | -93.5 | 0 | 0 | 0 | 109.1 | T1740 G1744 | T1740-Y1742 PolarHBondContact O-N 2.84Å; Y1742-G1744 PolarHBondContact O-N 2.8Å; Y1742-G1744 VanDerWaalsContact O-N 3.07Å | ||
| 1743 | G | 24.9 | Very low | 29.1 | Very low | 53 Ų | 53 | 99.9 Ų | 99.9 | 55% | 0.546 | 55% | 0.549 | S | S | . | . | trans | -75.6 | 76.9 | 159.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | L1745 | G1743-L1745 PolarHBondContact O-N 2.82Š| ||
| 1744 | G | 28 | Very low | 30.4 | Very low | 36 Ų | 36 | 97.2 Ų | 97.2 | 37% | 0.371 | 53% | 0.532 | S | S | . | . | trans | -78.3 | 118.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112 | Y1742 V1746 | Y1742-G1744 PolarHBondContact O-N 2.8Å; Y1742-G1744 VanDerWaalsContact O-N 3.07Å; G1744-V1746 PolarHBondContact O-N 2.77Å | ||
| 1745 | L | 27.4 | Very low | 31.6 | Very low | 127 Ų | 127 | 95.5 Ų | 95.5 | 67% | 0.665 | 52% | 0.515 | S | S | * | . | trans | -62.4 | 115.9 | 167.6 | -111.4 | 77.8 | 0 | 0 | 0 | 109.7 | G1743 | G1743-L1745 PolarHBondContact O-N 2.82Š| ||
| 1746 | V | 31.7 | Very low | 33.1 | Very low | 93 Ų | 93 | 94.9 Ų | 94.9 | 56% | 0.564 | 50% | 0.502 | S | S | * | . | B | Isolated β-bridge | trans | -137.5 | 126.3 | 168.5 | -176.8 | 0 | 0 | 0 | 0 | 107.1 | G1744 G1748 | G1744-V1746 PolarHBondContact O-N 2.77Å; V1746-G1748 VanDerWaalsContact C-N 3.35Å; V1746-G1748 PolarHBondContact O-N 3.38Å |
| 1747 | D | 33.3 | Very low | 34.6 | Very low | 138 Ų | 138 | 89.6 Ų | 89.6 | 74% | 0.738 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 43.6 | 172.3 | -54.9 | -22.5 | 0 | 0 | 0 | 115.4 | Y1749 | D1747-Y1749 VanDerWaalsContact C-N 3.26Å; D1747-Y1749 WeakPolarHBondContact O-CD2 3.19Å; D1747-Y1749 PolarHBondContact O-N 2.62Å; D1747-Y1749 VanDerWaalsContact O-N 3.08Å |
| 1748 | G | 36.1 | Very low | 35.9 | Very low | 28 Ų | 28 | 86.3 Ų | 86.3 | 29% | 0.289 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83 | -29.9 | 167 | 0 | 0 | 0 | 0 | 0 | 116.3 | V1746 | V1746-G1748 VanDerWaalsContact C-N 3.35Å; V1746-G1748 PolarHBondContact O-N 3.38Å |
| 1749 | Y | 34.3 | Very low | 37.4 | Very low | 127 Ų | 127 | 82.4 Ų | 82.4 | 50% | 0.498 | 43% | 0.434 | S | S | . | . | B | Isolated β-bridge | trans | -77.4 | 142.2 | -179.9 | -60.3 | -81 | 0 | 0 | 0 | 112.6 | D1747 H1751 | D1747-Y1749 VanDerWaalsContact C-N 3.26Å; D1747-Y1749 WeakPolarHBondContact O-CD2 3.19Å; D1747-Y1749 PolarHBondContact O-N 2.62Å; D1747-Y1749 VanDerWaalsContact O-N 3.08Å; Y1749-H1751 PolarHBondContact O-N 3.1Å |
| 1750 | V | 43 | Very low | 38.9 | Very low | 17 Ų | 17 | 76 Ų | 76 | 10% | 0.103 | 41% | 0.408 | C | S | . | . | trans | -75.7 | 94.8 | 169.1 | -177.8 | 0 | 0 | 0 | 0 | 108.2 | W1720 I1752 | W1720-V1750 HydrophobicContact CH2-CG1 3.61Å; W1720-V1750 HydrophobicContact CZ2-CG1 4.28Å; W1720-V1750 HydrophobicContact CZ3-CG1 3.79Å; V1750-I1752 VanDerWaalsContact C-N 3.3Å; V1750-I1752 HydrophobicContact CG1-CG1 4.18Å; V1750-I1752 PolarHBondContact O-N 3.04Å | ||
| 1751 | H | 41.9 | Very low | 40.6 | Very low | 129 Ų | 129 | 72.9 Ų | 72.9 | 60% | 0.597 | 39% | 0.385 | S | S | * | . | trans | -74.1 | 87 | 175.7 | -148.4 | -41.1 | 0 | 0 | 0 | 109.7 | Y1749 | Y1749-H1751 PolarHBondContact O-N 3.1Š| ||
| 1752 | I | 46.6 | Very low | 42 | Very low | 10 Ų | 10 | 68.5 Ų | 68.5 | 5% | 0.051 | 36% | 0.362 | C | S | . | . | trans | -57 | 136.9 | -180 | -57.6 | -172.5 | 0 | 0 | 0 | 109.6 | I1610 W1618 V1750 Q1756 I1757 | I1610-I1752 HydrophobicContact CD1-CD1 3.51Å; I1610-I1752 HydrophobicContact CD1-CG1 4.45Å; W1618-I1752 HydrophobicContact CB-CD1 4.14Å; W1618-I1752 HydrophobicContact CD2-CD1 3.36Å; W1618-I1752 HydrophobicContact CE3-CD1 3.9Å; W1618-I1752 HydrophobicContact CG-CD1 3.43Å; W1618-I1752 VanDerWaalsContact CG-CD1 3.43Å; W1618-I1752 HydrophobicContact CG-CG1 4.16Å; W1618-I1752 HydrophobicContact CZ2-CD1 4.21Å; V1750-I1752 VanDerWaalsContact C-N 3.3Å; V1750-I1752 HydrophobicContact CG1-CG1 4.18Å; V1750-I1752 PolarHBondContact O-N 3.04Å; I1752-Q1756 HydrophobicContact CG2-CB 3.31Å; I1752-Q1756 HydrophobicContact CG2-CG 4.39Å; I1752-I1757 HydrophobicContact CB-CG1 4.11Å; I1752-I1757 HydrophobicContact CG2-CG1 3.7Å | ||
| 1753 | S | 47.4 | Very low | 43.2 | Very low | 18 Ų | 18 | 59.4 Ų | 59.4 | 13% | 0.126 | 33% | 0.327 | C | S | . | . | trans | -67.2 | 151.2 | 178.5 | 90.2 | 0 | 0 | 0 | 0 | 110.7 | E1755 Q1756 I1757 | S1753-E1755 PolarHBondContact O-N 3.3Å; S1753-E1755 VanDerWaalsContact O-N 3.16Å; S1753-Q1756 WeakPolarHBondContact O-CA 3.48Å; S1753-Q1756 WeakPolarHBondContact O-CB 3.47Å; S1753-Q1756 PolarHBondContact O-N 3.14Å; S1753-Q1756 WeakPolarHBondContact OG-CG 3.49Å; S1753-Q1756 PolarHBondContact OG-N 2.94Å; S1753-Q1756 VanDerWaalsContact OG-N 3.1Å; S1753-I1757 PolarHBondContact O-N 3.09Å | ||
| 1754 | H | 50.3 | Low | 44.3 | Very low | 80 Ų | 80 | 57.9 Ų | 57.9 | 37% | 0.37 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59 | -33.1 | -180 | -166.5 | 69.4 | 0 | 0 | 0 | 112.7 | I1757 C1758 N1830 Y1832 | H1754-I1757 PolarHBondContact O-N 2.64Å; H1754-C1758 WeakPolarHBondContact O-CB 3.33Å; H1754-C1758 PolarHBondContact O-N 3.15Å; H1754-C1758 PolarHBondContact O-SG 3.44Å; H1754-C1758 VanDerWaalsContact O-SG 3.38Å; H1754-N1830 PolarHBondContact NE2-O 2.9Å; H1754-Y1832 AromaticContact NE2-CD1 3.72Å; H1754-Y1832 AromaticContact NE2-CE1 3.45Å; H1754-Y1832 WeakPolarHBondContact NE2-CE1 3.49Å |
| 1755 | E | 47.1 | Very low | 45.3 | Very low | 89 Ų | 89 | 62.5 Ų | 62.5 | 42% | 0.416 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -69 | -38.9 | 174.2 | -63.1 | -178.2 | 148.8 | 0 | 0 | 112 | S1753 C1758 L1759 | S1753-E1755 PolarHBondContact O-N 3.3Å; S1753-E1755 VanDerWaalsContact O-N 3.16Å; E1755-C1758 CarbonylContact O-C 3.46Å; E1755-C1758 WeakPolarHBondContact O-CB 3.39Å; E1755-C1758 PolarHBondContact O-N 3.44Å; E1755-L1759 WeakPolarHBondContact O-CB 3.31Å; E1755-L1759 WeakPolarHBondContact O-CG 3.39Å; E1755-L1759 PolarHBondContact O-N 2.69Å |
| 1756 | Q | 52.7 | Low | 46.3 | Very low | 48 Ų | 48 | 61.3 Ų | 61.3 | 22% | 0.224 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.5 | -39.3 | 172.9 | -76.3 | 172.6 | -33.2 | 0 | 0 | 112 | I1752 S1753 L1759 L1760 | I1752-Q1756 HydrophobicContact CG2-CB 3.31Å; I1752-Q1756 HydrophobicContact CG2-CG 4.39Å; S1753-Q1756 WeakPolarHBondContact O-CA 3.48Å; S1753-Q1756 WeakPolarHBondContact O-CB 3.47Å; S1753-Q1756 PolarHBondContact O-N 3.14Å; S1753-Q1756 WeakPolarHBondContact OG-CG 3.49Å; S1753-Q1756 PolarHBondContact OG-N 2.94Å; S1753-Q1756 VanDerWaalsContact OG-N 3.1Å; Q1756-L1759 PolarHBondContact O-N 3.35Å; Q1756-L1760 WeakPolarHBondContact O-CD1 3.48Å; Q1756-L1760 PolarHBondContact O-N 3.04Å |
| 1757 | I | 52.9 | Low | 47.3 | Very low | 45 Ų | 45 | 57.4 Ų | 57.4 | 23% | 0.231 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.1 | -46.6 | 172.5 | -64.7 | 177.3 | 0 | 0 | 0 | 110.4 | I1752 S1753 H1754 L1759 L1760 Y1761 | I1752-I1757 HydrophobicContact CB-CG1 4.11Å; I1752-I1757 HydrophobicContact CG2-CG1 3.7Å; S1753-I1757 PolarHBondContact O-N 3.09Å; H1754-I1757 PolarHBondContact O-N 2.64Å; I1757-L1759 VanDerWaalsContact C-N 3.27Å; I1757-L1759 PolarHBondContact O-N 3.42Å; I1757-L1760 PolarHBondContact O-N 2.98Å; I1757-Y1761 HydrophobicContact CG2-CD2 3.75Å; I1757-Y1761 HydrophobicContact CG2-CE2 4.03Å; I1757-Y1761 WeakPolarHBondContact O-CD2 3.43Å; I1757-Y1761 PolarHBondContact O-N 3.35Å |
| 1758 | C | 50.2 | Low | 48.1 | Very low | 14 Ų | 14 | 58.5 Ų | 58.5 | 10% | 0.095 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.7 | -31.4 | 174 | -75.9 | 0 | 0 | 0 | 0 | 113.4 | H1754 E1755 G1762 T1763 | H1754-C1758 WeakPolarHBondContact O-CB 3.33Å; H1754-C1758 PolarHBondContact O-N 3.15Å; H1754-C1758 PolarHBondContact O-SG 3.44Å; H1754-C1758 VanDerWaalsContact O-SG 3.38Å; E1755-C1758 CarbonylContact O-C 3.46Å; E1755-C1758 WeakPolarHBondContact O-CB 3.39Å; E1755-C1758 PolarHBondContact O-N 3.44Å; C1758-G1762 CarbonylContact O-C 3.55Å; C1758-G1762 WeakPolarHBondContact O-CA 3.11Å; C1758-G1762 PolarHBondContact O-N 3.24Å; C1758-T1763 HydrophobicContact CB-CG2 4.45Å; C1758-T1763 WeakPolarHBondContact CB-OG1 3.42Å; C1758-T1763 PolarHBondContact O-N 2.78Å; C1758-T1763 PolarHBondContact O-OG1 2.91Å |
| 1759 | L | 50.4 | Low | 48.7 | Very low | 100 Ų | 100 | 58.8 Ų | 58.8 | 52% | 0.524 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -76.5 | -41.5 | 176.9 | -75.5 | 164.6 | 0 | 0 | 0 | 112.6 | R1593 E1755 Q1756 I1757 G1762 | R1593-L1759 PolarHBondContact NH2-O 3.31Å; R1593-L1759 VanDerWaalsContact NH2-O 3.13Å; E1755-L1759 WeakPolarHBondContact O-CB 3.31Å; E1755-L1759 WeakPolarHBondContact O-CG 3.39Å; E1755-L1759 PolarHBondContact O-N 2.69Å; Q1756-L1759 PolarHBondContact O-N 3.35Å; I1757-L1759 VanDerWaalsContact C-N 3.27Å; I1757-L1759 PolarHBondContact O-N 3.42Å; L1759-G1762 PolarHBondContact O-N 3.28Å |
| 1760 | L | 52.3 | Low | 49.2 | Very low | 47 Ų | 47 | 58.2 Ų | 58.2 | 25% | 0.246 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.5 | -58.4 | 174.2 | -102.7 | 74.1 | 0 | 0 | 0 | 110.8 | W1618 Y1718 Q1756 I1757 G1762 | W1618-L1760 HydrophobicContact CH2-CD2 3.45Å; W1618-L1760 VanDerWaalsContact CH2-CD2 3.45Å; W1618-L1760 HydrophobicContact CZ2-CD2 4.24Å; W1618-L1760 HydrophobicContact CZ3-CD2 3.7Å; Y1718-L1760 HydrophobicContact CD1-CD2 3.55Å; Y1718-L1760 HydrophobicContact CD1-CG 3.99Å; Y1718-L1760 HydrophobicContact CE1-CD2 4.05Å; Y1718-L1760 HydrophobicContact CG-CD2 4.13Å; Q1756-L1760 WeakPolarHBondContact O-CD1 3.48Å; Q1756-L1760 PolarHBondContact O-N 3.04Å; I1757-L1760 PolarHBondContact O-N 2.98Å; L1760-G1762 PolarHBondContact O-N 2.79Å |
| 1761 | Y | 56.3 | Low | 49.4 | Very low | 43 Ų | 43 | 63.4 Ų | 63.4 | 17% | 0.169 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -1.7 | 178.3 | -62.6 | -62.8 | 0 | 0 | 0 | 113.3 | L1591 I1594 W1618 I1757 T1763 | L1591-Y1761 HydrophobicContact CD1-CD1 3.69Å; L1591-Y1761 HydrophobicContact CD1-CE1 4.3Å; I1594-Y1761 HydrophobicContact CD1-CD1 4.37Å; I1594-Y1761 HydrophobicContact CD1-CE1 4.31Å; W1618-Y1761 HydrophobicContact CZ2-CE2 4.46Å; I1757-Y1761 HydrophobicContact CG2-CD2 3.75Å; I1757-Y1761 HydrophobicContact CG2-CE2 4.03Å; I1757-Y1761 WeakPolarHBondContact O-CD2 3.43Å; I1757-Y1761 PolarHBondContact O-N 3.35Å; Y1761-T1763 PolarHBondContact O-N 2.88Å |
| 1762 | G | 50.6 | Low | 49.8 | Very low | 2 Ų | 2 | 62.9 Ų | 62.9 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | 20.2 | 158.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | R1593 C1758 L1759 L1760 S1764 K1765 | R1593-G1762 PolarHBondContact NH1-O 2.79Å; C1758-G1762 CarbonylContact O-C 3.55Å; C1758-G1762 WeakPolarHBondContact O-CA 3.11Å; C1758-G1762 PolarHBondContact O-N 3.24Å; L1759-G1762 PolarHBondContact O-N 3.28Å; L1760-G1762 PolarHBondContact O-N 2.79Å; G1762-S1764 PolarHBondContact O-N 2.89Å; G1762-S1764 VanDerWaalsContact O-N 3.14Å; G1762-K1765 PolarHBondContact O-N 2.89Å |
| 1763 | T | 50.5 | Low | 50.1 | Low | 4 Ų | 4 | 65.7 Ų | 65.7 | 3% | 0.025 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -54.3 | -37 | -170.6 | 61.5 | 0 | 0 | 0 | 0 | 113.2 | C1758 Y1761 K1765 W1767 Y1776 G1831 R1834 | C1758-T1763 HydrophobicContact CB-CG2 4.45Å; C1758-T1763 WeakPolarHBondContact CB-OG1 3.42Å; C1758-T1763 PolarHBondContact O-N 2.78Å; C1758-T1763 PolarHBondContact O-OG1 2.91Å; Y1761-T1763 PolarHBondContact O-N 2.88Å; T1763-K1765 PolarHBondContact O-N 2.98Å; T1763-K1765 VanDerWaalsContact O-N 3.08Å; T1763-W1767 VanDerWaalsContact O-CD1 3.25Å; T1763-Y1776 VanDerWaalsContact CB-CZ 3.5Å; T1763-Y1776 WeakPolarHBondContact CB-OH 3.49Å; T1763-Y1776 WeakPolarHBondContact OG1-CE1 3.4Å; T1763-Y1776 PolarHBondContact OG1-OH 2.97Å; T1763-G1831 WeakPolarHBondContact CG2-O 3.44Å; T1763-R1834 HydrophobicContact CG2-CG 3.91Å |
| 1764 | S | 47.3 | Very low | 50.6 | Low | 20 Ų | 20 | 69.8 Ų | 69.8 | 14% | 0.14 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -62.5 | -15.9 | -175.8 | 173.9 | 0 | 0 | 0 | 0 | 116.6 | G1762 P1773 | G1762-S1764 PolarHBondContact O-N 2.89Å; G1762-S1764 VanDerWaalsContact O-N 3.14Å; S1764-P1773 VanDerWaalsContact OG-CA 3.31Å; S1764-P1773 WeakPolarHBondContact OG-CA 3.44Å |
| 1765 | K | 48.6 | Very low | 51.2 | Low | 134 Ų | 134 | 67.4 Ų | 67.4 | 58% | 0.583 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -111.8 | -2.3 | -166.6 | -142.1 | -177.1 | -176 | -178.6 | 0 | 115.9 | G1762 T1763 N1771 | G1762-K1765 PolarHBondContact O-N 2.89Å; T1763-K1765 PolarHBondContact O-N 2.98Å; T1763-K1765 VanDerWaalsContact O-N 3.08Å; K1765-N1771 WeakPolarHBondContact CE-OD1 3.4Å |
| 1766 | Y | 49.5 | Very low | 52.1 | Low | 102 Ų | 102 | 63.5 Ų | 63.5 | 40% | 0.4 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -120.6 | 2.1 | -178.4 | -68.9 | -72.5 | 0 | 0 | 0 | 114.7 | ||
| 1767 | W | 53 | Low | 52.9 | Low | 10 Ų | 10 | 64.2 Ų | 64.2 | 4% | 0.038 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -78.2 | 137.7 | 153 | -62.4 | 68.6 | 0 | 0 | 0 | 106.4 | T1763 T1769 Y1776 E1779 L1783 Y1833 R1834 | T1763-W1767 VanDerWaalsContact O-CD1 3.25Å; W1767-T1769 PolarHBondContact O-N 3.45Å; W1767-T1769 PolarHBondContact O-OG1 3.37Å; W1767-Y1776 AromaticContact CD1-CD2 3.7Å; W1767-Y1776 AromaticContact CD1-CE2 3.73Å; W1767-Y1776 HydrophobicContact CD2-CD2 4.5Å; W1767-Y1776 HydrophobicContact CG-CD2 4.06Å; W1767-Y1776 HydrophobicContact CG-CE2 4.39Å; W1767-Y1776 AromaticContact NE1-CD2 3.95Å; W1767-Y1776 AromaticContact NE1-CE2 3.51Å; W1767-E1779 HydrophobicContact CE3-CG 3.86Å; W1767-E1779 HydrophobicContact CZ3-CG 4.19Å; W1767-L1783 HydrophobicContact CE3-CD1 4.46Å; W1767-L1783 HydrophobicContact CH2-CD1 3.82Å; W1767-L1783 HydrophobicContact CZ3-CD1 3.41Å; W1767-L1783 VanDerWaalsContact CZ3-CD1 3.41Å; W1767-Y1833 PolarHBondContact NE1-O 3.43Å; W1767-R1834 PolarHBondContact NE1-O 3.18Å |
| 1768 | D | 48.3 | Very low | 53.9 | Low | 161 Ų | 161 | 64.7 Ų | 64.7 | 86% | 0.861 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -64.2 | 3.6 | -174.4 | -72.4 | -54.9 | 0 | 0 | 0 | 114.5 | T1770 | D1768-T1770 PolarHBondContact O-N 2.93Å; D1768-T1770 VanDerWaalsContact O-N 3.1Å |
| 1769 | T | 49.9 | Very low | 55.1 | Low | 34 Ų | 34 | 65.5 Ų | 65.5 | 21% | 0.209 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -62.1 | 102.3 | 167.9 | 50.5 | 0 | 0 | 0 | 0 | 111.6 | W1767 N1771 A1775 E1779 | W1767-T1769 PolarHBondContact O-N 3.45Å; W1767-T1769 PolarHBondContact O-OG1 3.37Å; T1769-N1771 PolarHBondContact O-N 3.14Å; T1769-A1775 HydrophobicContact CG2-CB 4.23Å; T1769-E1779 HydrophobicContact CG2-CB 4.19Å |
| 1770 | T | 45.5 | Very low | 56.5 | Low | 115 Ų | 115 | 61.8 Ų | 61.8 | 71% | 0.706 | 33% | 0.334 | S | S | * | . | trans | -41.6 | 97.5 | -178.1 | 45.4 | 0 | 0 | 0 | 0 | 116.1 | D1768 H1772 | D1768-T1770 PolarHBondContact O-N 2.93Å; D1768-T1770 VanDerWaalsContact O-N 3.1Å; T1770-H1772 PolarHBondContact O-CD2 3.36Å; T1770-H1772 PolarHBondContact O-N 3.4Å | ||
| 1771 | N | 46.7 | Very low | 57.9 | Low | 126 Ų | 126 | 66.3 Ų | 66.3 | 67% | 0.674 | 35% | 0.352 | S | S | * | . | S | Bend | trans | 54.7 | -2.6 | 159.3 | -81.5 | -34.1 | 0 | 0 | 0 | 120.1 | K1765 T1769 | K1765-N1771 WeakPolarHBondContact CE-OD1 3.4Å; T1769-N1771 PolarHBondContact O-N 3.14Å |
| 1772 | H | 50.1 | Low | 59.4 | Low | 119 Ų | 119 | 65.5 Ų | 65.5 | 55% | 0.551 | 35% | 0.348 | S | S | * | . | trans | -112.2 | 129.6 | -178.3 | -71.3 | -77.6 | 0 | 0 | 0 | 112.8 | T1770 T1774 A1775 | T1770-H1772 PolarHBondContact O-CD2 3.36Å; T1770-H1772 PolarHBondContact O-N 3.4Å; H1772-T1774 PolarHBondContact O-N 2.81Å; H1772-A1775 WeakPolarHBondContact O-CB 3Å; H1772-A1775 PolarHBondContact O-N 2.83Å | ||
| 1773 | P | 52.4 | Low | 61.1 | Low | 69 Ų | 69 | 65.4 Ų | 65.4 | 45% | 0.448 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.4 | -24.4 | 179.4 | 26.5 | -34.5 | 0 | 0 | 0 | 113.3 | S1764 A1775 Y1776 L1777 | S1764-P1773 VanDerWaalsContact OG-CA 3.31Å; S1764-P1773 WeakPolarHBondContact OG-CA 3.44Å; P1773-A1775 PolarHBondContact O-N 2.94Å; P1773-Y1776 PolarHBondContact O-N 2.86Å; P1773-L1777 WeakPolarHBondContact O-CG 3.39Å; P1773-L1777 PolarHBondContact O-N 3.07Å |
| 1774 | T | 58.1 | Low | 62.8 | Low | 104 Ų | 104 | 66.5 Ų | 66.5 | 64% | 0.638 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -61.8 | -31.2 | 170.6 | 50.2 | 0 | 0 | 0 | 0 | 112.9 | H1772 A1778 | H1772-T1774 PolarHBondContact O-N 2.81Å; T1774-A1778 WeakPolarHBondContact O-CB 3.44Å; T1774-A1778 PolarHBondContact O-N 3Å |
| 1775 | A | 63.7 | Low | 64.7 | Low | 29 Ų | 29 | 70.1 Ų | 70.1 | 24% | 0.24 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -76.7 | -39.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | T1769 H1772 P1773 A1778 E1779 | T1769-A1775 HydrophobicContact CG2-CB 4.23Å; H1772-A1775 WeakPolarHBondContact O-CB 3Å; H1772-A1775 PolarHBondContact O-N 2.83Å; P1773-A1775 PolarHBondContact O-N 2.94Å; A1775-A1778 PolarHBondContact O-N 2.96Å; A1775-E1779 WeakPolarHBondContact O-CB 3.47Å; A1775-E1779 PolarHBondContact O-N 2.98Å |
| 1776 | Y | 64.8 | Low | 66.6 | Low | 8 Ų | 8 | 63.8 Ų | 63.8 | 3% | 0.031 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.8 | -48.5 | 169.3 | 169.1 | -116.3 | 0 | 0 | 0 | 111.4 | T1763 W1767 P1773 A1778 E1779 I1780 G1831 | T1763-Y1776 VanDerWaalsContact CB-CZ 3.5Å; T1763-Y1776 WeakPolarHBondContact CB-OH 3.49Å; T1763-Y1776 WeakPolarHBondContact OG1-CE1 3.4Å; T1763-Y1776 PolarHBondContact OG1-OH 2.97Å; W1767-Y1776 AromaticContact CD1-CD2 3.7Å; W1767-Y1776 AromaticContact CD1-CE2 3.73Å; W1767-Y1776 HydrophobicContact CD2-CD2 4.5Å; W1767-Y1776 HydrophobicContact CG-CD2 4.06Å; W1767-Y1776 HydrophobicContact CG-CE2 4.39Å; W1767-Y1776 AromaticContact NE1-CD2 3.95Å; W1767-Y1776 AromaticContact NE1-CE2 3.51Å; P1773-Y1776 PolarHBondContact O-N 2.86Å; Y1776-A1778 VanDerWaalsContact C-N 3.26Å; Y1776-A1778 PolarHBondContact O-N 3.32Å; Y1776-E1779 PolarHBondContact O-N 3.24Å; Y1776-I1780 HydrophobicContact CD1-CD1 4.07Å; Y1776-I1780 HydrophobicContact CD2-CD1 4.22Å; Y1776-I1780 HydrophobicContact CD2-CG1 4.28Å; Y1776-I1780 HydrophobicContact CE1-CD1 3.6Å; Y1776-I1780 HydrophobicContact CE2-CD1 3.75Å; Y1776-I1780 HydrophobicContact CE2-CG1 3.95Å; Y1776-I1780 HydrophobicContact CG-CD1 4.36Å; Y1776-I1780 VanDerWaalsContact CZ-CD1 3.41Å; Y1776-I1780 WeakPolarHBondContact O-CG1 3.31Å; Y1776-I1780 PolarHBondContact O-N 2.82Å; Y1776-G1831 PolarHBondContact OH-O 2.93Å |
| 1777 | L | 70.4 | Confident | 68.5 | Low | 63 Ų | 63 | 59.4 Ų | 59.4 | 33% | 0.33 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.1 | -23.8 | 176.9 | -69.6 | 175.5 | 0 | 0 | 0 | 113.9 | P1773 I1780 K1781 | P1773-L1777 WeakPolarHBondContact O-CG 3.39Å; P1773-L1777 PolarHBondContact O-N 3.07Å; L1777-I1780 HydrophobicContact CD2-CD1 4.24Å; L1777-K1781 WeakPolarHBondContact O-CD 3.42Å; L1777-K1781 WeakPolarHBondContact O-CE 3.33Å; L1777-K1781 VanDerWaalsContact O-CG 3.23Å; L1777-K1781 WeakPolarHBondContact O-CG 3.26Å |
| 1778 | A | 72.7 | Confident | 70.3 | Confident | 54 Ų | 54 | 61.3 Ų | 61.3 | 45% | 0.446 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -76 | -42.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | T1774 A1775 Y1776 K1781 R1782 | T1774-A1778 WeakPolarHBondContact O-CB 3.44Å; T1774-A1778 PolarHBondContact O-N 3Å; A1775-A1778 PolarHBondContact O-N 2.96Å; Y1776-A1778 VanDerWaalsContact C-N 3.26Å; Y1776-A1778 PolarHBondContact O-N 3.32Å; A1778-K1781 PolarHBondContact O-N 3.21Å; A1778-R1782 PolarHBondContact O-N 3.25Å |
| 1779 | E | 77 | Confident | 72.2 | Confident | 32 Ų | 32 | 56.1 Ų | 56.1 | 15% | 0.15 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.1 | -40.9 | 179.4 | -177.7 | 61.1 | -175.3 | 0 | 0 | 112.3 | W1767 T1769 A1775 Y1776 K1781 R1782 L1783 | W1767-E1779 HydrophobicContact CE3-CG 3.86Å; W1767-E1779 HydrophobicContact CZ3-CG 4.19Å; T1769-E1779 HydrophobicContact CG2-CB 4.19Å; A1775-E1779 WeakPolarHBondContact O-CB 3.47Å; A1775-E1779 PolarHBondContact O-N 2.98Å; Y1776-E1779 PolarHBondContact O-N 3.24Å; E1779-K1781 VanDerWaalsContact C-N 3.34Å; E1779-K1781 PolarHBondContact O-N 2.89Å; E1779-R1782 PolarHBondContact O-N 2.93Å; E1779-R1782 IonicContact OE1-CZ 3Å; E1779-R1782 IonicContact OE1-NE 2.68Å; E1779-R1782 IonicContact OE1-NH2 2.79Å; E1779-R1782 PolarHBondContact OE1-NH2 2.59Å; E1779-R1782 IonicContact OE2-CZ 2.86Å; E1779-R1782 IonicContact OE2-NE 3.4Å; E1779-R1782 PolarHBondContact OE2-NE 2.96Å; E1779-R1782 IonicContact OE2-NH2 2.82Å; E1779-R1782 PolarHBondContact OE2-NH2 2.78Å; E1779-L1783 HydrophobicContact CG-CD1 4.08Å; E1779-L1783 WeakPolarHBondContact O-CB 3.46Å; E1779-L1783 WeakPolarHBondContact O-CG 3.46Å; E1779-L1783 PolarHBondContact O-N 3.39Å |
| 1780 | I | 79.3 | Confident | 74.2 | Confident | 21 Ų | 21 | 54.8 Ų | 54.8 | 11% | 0.108 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -55.9 | -49.5 | 170.1 | -64.2 | 168.1 | 0 | 0 | 0 | 110.5 | Y1776 L1777 R1782 L1783 V1784 L1828 | Y1776-I1780 HydrophobicContact CD1-CD1 4.07Å; Y1776-I1780 HydrophobicContact CD2-CD1 4.22Å; Y1776-I1780 HydrophobicContact CD2-CG1 4.28Å; Y1776-I1780 HydrophobicContact CE1-CD1 3.6Å; Y1776-I1780 HydrophobicContact CE2-CD1 3.75Å; Y1776-I1780 HydrophobicContact CE2-CG1 3.95Å; Y1776-I1780 HydrophobicContact CG-CD1 4.36Å; Y1776-I1780 VanDerWaalsContact CZ-CD1 3.41Å; Y1776-I1780 WeakPolarHBondContact O-CG1 3.31Å; Y1776-I1780 PolarHBondContact O-N 2.82Å; L1777-I1780 HydrophobicContact CD2-CD1 4.24Å; I1780-R1782 VanDerWaalsContact C-N 3.32Å; I1780-R1782 PolarHBondContact O-N 3.39Å; I1780-L1783 PolarHBondContact O-N 3.1Å; I1780-V1784 HydrophobicContact CG2-CG2 4.11Å; I1780-V1784 WeakPolarHBondContact O-CB 3.49Å; I1780-V1784 VanDerWaalsContact O-CG2 3.29Å; I1780-V1784 WeakPolarHBondContact O-CG2 3.43Å; I1780-V1784 PolarHBondContact O-N 3.32Å; I1780-L1828 HydrophobicContact CG2-CD1 4.33Å; I1780-L1828 HydrophobicContact CG2-CG 4.22Å |
| 1781 | K | 82 | Confident | 76.4 | Confident | 143 Ų | 143 | 50.7 Ų | 50.7 | 62% | 0.622 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -61.8 | -41.5 | -177.7 | -73.3 | 166.5 | -169.2 | 161.2 | 0 | 111.5 | L1777 A1778 E1779 V1784 E1785 | L1777-K1781 WeakPolarHBondContact O-CD 3.42Å; L1777-K1781 WeakPolarHBondContact O-CE 3.33Å; L1777-K1781 VanDerWaalsContact O-CG 3.23Å; L1777-K1781 WeakPolarHBondContact O-CG 3.26Å; A1778-K1781 PolarHBondContact O-N 3.21Å; E1779-K1781 VanDerWaalsContact C-N 3.34Å; E1779-K1781 PolarHBondContact O-N 2.89Å; K1781-V1784 PolarHBondContact O-N 2.94Å; K1781-E1785 PolarHBondContact O-N 3.34Å |
| 1782 | R | 85.9 | Confident | 78.5 | Confident | 25 Ų | 25 | 51.1 Ų | 51.1 | 9% | 0.094 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.1 | -48.5 | 174.4 | -169.5 | -173.1 | 70.7 | 80 | -5.7 | 111.4 | A1778 E1779 I1780 E1785 C1786 C1874 N1877 N1878 V1879 | A1778-R1782 PolarHBondContact O-N 3.25Å; E1779-R1782 PolarHBondContact O-N 2.93Å; E1779-R1782 IonicContact OE1-CZ 3Å; E1779-R1782 IonicContact OE1-NE 2.68Å; E1779-R1782 IonicContact OE1-NH2 2.79Å; E1779-R1782 PolarHBondContact OE1-NH2 2.59Å; E1779-R1782 IonicContact OE2-CZ 2.86Å; E1779-R1782 IonicContact OE2-NE 3.4Å; E1779-R1782 PolarHBondContact OE2-NE 2.96Å; E1779-R1782 IonicContact OE2-NH2 2.82Å; E1779-R1782 PolarHBondContact OE2-NH2 2.78Å; I1780-R1782 VanDerWaalsContact C-N 3.32Å; I1780-R1782 PolarHBondContact O-N 3.39Å; R1782-E1785 WeakPolarHBondContact O-CB 3.46Å; R1782-E1785 PolarHBondContact O-N 2.92Å; R1782-C1786 PolarHBondContact O-N 3.46Å; R1782-C1786 PolarHBondContact O-SG 3.46Å; R1782-C1786 VanDerWaalsContact O-SG 3.37Å; R1782-C1874 VanDerWaalsContact CZ-O 3.29Å; R1782-C1874 PolarHBondContact NH1-O 2.76Å; R1782-C1874 PolarHBondContact NH2-O 3.11Å; R1782-N1877 PolarHBondContact NH1-O 3.32Å; R1782-N1877 PolarHBondContact NH2-O 2.81Å; R1782-N1878 WeakPolarHBondContact CD-OD1 3.24Å; R1782-V1879 WeakPolarHBondContact CG-O 3.35Å; R1782-V1879 VanDerWaalsContact NH1-N 3.17Å; R1782-V1879 PolarHBondContact NH1-O 3.23Å |
| 1783 | L | 86.8 | Confident | 80.4 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69.7 | -33.9 | -179.3 | -70.1 | 170.8 | 0 | 0 | 0 | 113 | W1767 E1779 I1780 C1786 I1787 L1828 M1839 C1874 I1875 | W1767-L1783 HydrophobicContact CE3-CD1 4.46Å; W1767-L1783 HydrophobicContact CH2-CD1 3.82Å; W1767-L1783 HydrophobicContact CZ3-CD1 3.41Å; W1767-L1783 VanDerWaalsContact CZ3-CD1 3.41Å; E1779-L1783 HydrophobicContact CG-CD1 4.08Å; E1779-L1783 WeakPolarHBondContact O-CB 3.46Å; E1779-L1783 WeakPolarHBondContact O-CG 3.46Å; E1779-L1783 PolarHBondContact O-N 3.39Å; I1780-L1783 PolarHBondContact O-N 3.1Å; L1783-C1786 PolarHBondContact O-N 3.14Å; L1783-I1787 VanDerWaalsContact O-CG1 3.31Å; L1783-I1787 WeakPolarHBondContact O-CG1 3.45Å; L1783-I1787 PolarHBondContact O-N 3.08Å; L1783-L1828 HydrophobicContact CB-CD2 3.66Å; L1783-M1839 HydrophobicContact CD1-SD 4.22Å; L1783-M1839 HydrophobicContact CD2-CE 4.49Å; L1783-C1874 HydrophobicContact CD2-CB 4.42Å; L1783-C1874 WeakPolarHBondContact CD2-O 3.38Å; L1783-I1875 HydrophobicContact CD2-CG1 4.21Å |
| 1784 | V | 87.7 | Confident | 82.1 | Confident | 27 Ų | 27 | 49.8 Ų | 49.8 | 16% | 0.164 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.9 | -44.5 | 170.3 | 166 | 0 | 0 | 0 | 0 | 110.7 | I1780 K1781 I1787 T1788 L1825 L1828 L1829 | I1780-V1784 HydrophobicContact CG2-CG2 4.11Å; I1780-V1784 WeakPolarHBondContact O-CB 3.49Å; I1780-V1784 VanDerWaalsContact O-CG2 3.29Å; I1780-V1784 WeakPolarHBondContact O-CG2 3.43Å; I1780-V1784 PolarHBondContact O-N 3.32Å; K1781-V1784 PolarHBondContact O-N 2.94Å; V1784-I1787 PolarHBondContact O-N 2.81Å; V1784-T1788 WeakPolarHBondContact O-CB 3.32Å; V1784-T1788 WeakPolarHBondContact O-CG2 3.4Å; V1784-T1788 PolarHBondContact O-N 3.4Å; V1784-T1788 PolarHBondContact O-OG1 3.26Å; V1784-L1825 HydrophobicContact CG1-CD1 4.16Å; V1784-L1825 HydrophobicContact CG2-CD1 4.34Å; V1784-L1828 HydrophobicContact CB-CD2 4.47Å; V1784-L1828 HydrophobicContact CG2-CD2 3.66Å; V1784-L1828 HydrophobicContact CG2-CG 3.9Å; V1784-L1829 HydrophobicContact CG1-CD2 4.02Å; V1784-L1829 HydrophobicContact CG2-CD2 3.82Å; V1784-L1829 HydrophobicContact CG2-CG 4.2Å |
| 1785 | E | 85.8 | Confident | 83.5 | Confident | 96 Ų | 96 | 45.5 Ų | 45.5 | 45% | 0.449 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.4 | -45 | 174.5 | -166.3 | -176 | 131.2 | 0 | 0 | 111.2 | K1781 R1782 T1788 Q1789 G1881 | K1781-E1785 PolarHBondContact O-N 3.34Å; R1782-E1785 WeakPolarHBondContact O-CB 3.46Å; R1782-E1785 PolarHBondContact O-N 2.92Å; E1785-T1788 WeakPolarHBondContact CA-OG1 3.39Å; E1785-T1788 PolarHBondContact O-N 3.08Å; E1785-T1788 PolarHBondContact O-OG1 2.95Å; E1785-T1788 VanDerWaalsContact O-OG1 3.07Å; E1785-Q1789 WeakPolarHBondContact O-CB 3.48Å; E1785-Q1789 WeakPolarHBondContact O-CG 3.48Å; E1785-Q1789 PolarHBondContact O-N 2.8Å; E1785-G1881 PolarHBondContact OE1-N 3.12Å |
| 1786 | C | 88.6 | Confident | 84.8 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.007 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.3 | -47 | 175.9 | -73.2 | 0 | 0 | 0 | 0 | 113.3 | R1782 L1783 Q1789 I1790 C1874 V1884 | R1782-C1786 PolarHBondContact O-N 3.46Å; R1782-C1786 PolarHBondContact O-SG 3.46Å; R1782-C1786 VanDerWaalsContact O-SG 3.37Å; L1783-C1786 PolarHBondContact O-N 3.14Å; C1786-Q1789 PolarHBondContact O-N 3.03Å; C1786-I1790 WeakPolarHBondContact O-CG1 3.42Å; C1786-I1790 PolarHBondContact O-N 3.29Å; C1786-C1874 HydrophobicContact CB-CB 3.68Å; C1786-V1884 HydrophobicContact CB-CG2 4.5Å |
| 1787 | I | 90.1 | Very high | 86 | Confident | 10 Ų | 10 | 51 Ų | 51 | 5% | 0.051 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.1 | -46.4 | 177.6 | -68 | 171.6 | 0 | 0 | 0 | 110.3 | L1783 V1784 Q1789 I1790 M1791 I1824 L1825 L1828 M1839 | L1783-I1787 VanDerWaalsContact O-CG1 3.31Å; L1783-I1787 WeakPolarHBondContact O-CG1 3.45Å; L1783-I1787 PolarHBondContact O-N 3.08Å; V1784-I1787 PolarHBondContact O-N 2.81Å; I1787-Q1789 PolarHBondContact O-N 3.05Å; I1787-I1790 WeakPolarHBondContact O-CB 3.29Å; I1787-I1790 PolarHBondContact O-N 3.22Å; I1787-M1791 HydrophobicContact CG2-CG 4.21Å; I1787-M1791 HydrophobicContact CG2-SD 3.66Å; I1787-M1791 WeakPolarHBondContact O-CG 3.47Å; I1787-M1791 PolarHBondContact O-N 3.35Å; I1787-I1824 HydrophobicContact CD1-CG2 3.97Å; I1787-L1825 HydrophobicContact CB-CD1 4.49Å; I1787-L1825 HydrophobicContact CG2-CB 4.25Å; I1787-L1825 HydrophobicContact CG2-CD1 4.23Å; I1787-L1828 HydrophobicContact CD1-CD2 3.58Å; I1787-M1839 HydrophobicContact CD1-CE 3.68Å; I1787-M1839 HydrophobicContact CG1-CE 4.05Å |
| 1788 | T | 89.5 | Confident | 86.7 | Confident | 51 Ų | 51 | 52.7 Ų | 52.7 | 31% | 0.313 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.2 | -24.3 | -179.9 | 53.3 | 0 | 0 | 0 | 0 | 112.9 | V1784 E1785 Q1792 L1825 | V1784-T1788 WeakPolarHBondContact O-CB 3.32Å; V1784-T1788 WeakPolarHBondContact O-CG2 3.4Å; V1784-T1788 PolarHBondContact O-N 3.4Å; V1784-T1788 PolarHBondContact O-OG1 3.26Å; E1785-T1788 WeakPolarHBondContact CA-OG1 3.39Å; E1785-T1788 PolarHBondContact O-N 3.08Å; E1785-T1788 PolarHBondContact O-OG1 2.95Å; E1785-T1788 VanDerWaalsContact O-OG1 3.07Å; T1788-Q1792 WeakPolarHBondContact O-CG 3.24Å; T1788-Q1792 PolarHBondContact O-NE2 3.19Å; T1788-L1825 HydrophobicContact CG2-CD1 4.16Å; T1788-L1825 HydrophobicContact CG2-CD2 4.05Å |
| 1789 | Q | 88.4 | Confident | 87.7 | Confident | 51 Ų | 51 | 50.7 Ų | 50.7 | 24% | 0.238 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -74.3 | -40 | 167.9 | -71.8 | -84 | 2.1 | 0 | 0 | 112.5 | E1785 C1786 I1787 M1791 Q1792 | E1785-Q1789 WeakPolarHBondContact O-CB 3.48Å; E1785-Q1789 WeakPolarHBondContact O-CG 3.48Å; E1785-Q1789 PolarHBondContact O-N 2.8Å; C1786-Q1789 PolarHBondContact O-N 3.03Å; I1787-Q1789 PolarHBondContact O-N 3.05Å; Q1789-M1791 VanDerWaalsContact C-N 3.32Å; Q1789-M1791 PolarHBondContact O-N 3.12Å; Q1789-Q1792 PolarHBondContact O-N 3.04Å; Q1789-Q1792 VanDerWaalsContact O-N 3.13Å |
| 1790 | I | 92.4 | Very high | 88.4 | Confident | 6 Ų | 6 | 51 Ų | 51 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.1 | -42.9 | 173.2 | -67.1 | 169.9 | 0 | 0 | 0 | 110.4 | C1786 I1787 Q1792 L1793 S1796 V1867 L1870 V1884 | C1786-I1790 WeakPolarHBondContact O-CG1 3.42Å; C1786-I1790 PolarHBondContact O-N 3.29Å; I1787-I1790 WeakPolarHBondContact O-CB 3.29Å; I1787-I1790 PolarHBondContact O-N 3.22Å; I1790-Q1792 PolarHBondContact O-N 3.48Å; I1790-Q1792 VanDerWaalsContact O-N 3.14Å; I1790-L1793 WeakPolarHBondContact O-CB 3.28Å; I1790-L1793 PolarHBondContact O-N 2.91Å; I1790-S1796 WeakPolarHBondContact O-CB 3.21Å; I1790-S1796 PolarHBondContact O-OG 3.44Å; I1790-S1796 VanDerWaalsContact O-OG 3.07Å; I1790-V1867 HydrophobicContact CG2-CG1 4.2Å; I1790-V1867 HydrophobicContact CG2-CG2 4.42Å; I1790-L1870 HydrophobicContact CD1-CB 3.91Å; I1790-L1870 HydrophobicContact CG1-CB 4.19Å; I1790-V1884 HydrophobicContact CG1-CG1 3.72Å |
| 1791 | M | 92.7 | Very high | 88.8 | Confident | 30 Ų | 30 | 54.9 Ų | 54.9 | 15% | 0.148 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -4.4 | 176.1 | -65.6 | 171 | 78.4 | 0 | 0 | 114.4 | I1787 Q1789 S1796 I1800 L1821 N1822 L1825 | I1787-M1791 HydrophobicContact CG2-CG 4.21Å; I1787-M1791 HydrophobicContact CG2-SD 3.66Å; I1787-M1791 WeakPolarHBondContact O-CG 3.47Å; I1787-M1791 PolarHBondContact O-N 3.35Å; Q1789-M1791 VanDerWaalsContact C-N 3.32Å; Q1789-M1791 PolarHBondContact O-N 3.12Å; M1791-S1796 WeakPolarHBondContact CA-OG 3.37Å; M1791-S1796 PolarHBondContact O-OG 3.17Å; M1791-I1800 HydrophobicContact CB-CG1 4.36Å; M1791-I1800 HydrophobicContact CE-CB 4.47Å; M1791-I1800 HydrophobicContact CE-CG1 4.36Å; M1791-I1800 HydrophobicContact CE-CG2 3.88Å; M1791-I1800 HydrophobicContact CG-CG1 4.42Å; M1791-I1800 WeakPolarHBondContact O-CD1 3.39Å; M1791-L1821 HydrophobicContact CE-CB 4.26Å; M1791-L1821 HydrophobicContact CG-CB 4Å; M1791-L1821 HydrophobicContact CG-CD1 3.88Å; M1791-L1821 HydrophobicContact SD-CB 4.11Å; M1791-N1822 WeakPolarHBondContact CE-OD1 3.2Å; M1791-L1825 HydrophobicContact CE-CD2 4.33Å; M1791-L1825 HydrophobicContact SD-CD2 3.94Å |
| 1792 | Q | 89.8 | Confident | 89.1 | Confident | 135 Ų | 135 | 52.1 Ų | 52.1 | 63% | 0.631 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | -0.6 | 172.1 | -76.5 | 169.1 | 72.8 | 0 | 0 | 112.8 | T1788 Q1789 I1790 | T1788-Q1792 WeakPolarHBondContact O-CG 3.24Å; T1788-Q1792 PolarHBondContact O-NE2 3.19Å; Q1789-Q1792 PolarHBondContact O-N 3.04Å; Q1789-Q1792 VanDerWaalsContact O-N 3.13Å; I1790-Q1792 PolarHBondContact O-N 3.48Å; I1790-Q1792 VanDerWaalsContact O-N 3.14Å |
| 1793 | L | 91.2 | Very high | 89.1 | Confident | 19 Ų | 19 | 53.4 Ų | 53.4 | 10% | 0.099 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -88 | 137.1 | 173.9 | -56.9 | 176.8 | 0 | 0 | 0 | 110.1 | I1790 I1795 S1796 L1870 L1885 Y1888 | I1790-L1793 WeakPolarHBondContact O-CB 3.28Å; I1790-L1793 PolarHBondContact O-N 2.91Å; L1793-I1795 HydrophobicContact CB-CG1 3.85Å; L1793-I1795 HydrophobicContact CD1-CD1 4.45Å; L1793-I1795 HydrophobicContact CD1-CG1 4.48Å; L1793-I1795 PolarHBondContact O-N 2.62Å; L1793-I1795 VanDerWaalsContact O-N 3.09Å; L1793-S1796 VanDerWaalsContact O-CB 3.32Å; L1793-S1796 WeakPolarHBondContact O-CB 3.44Å; L1793-S1796 PolarHBondContact O-N 3.34Å; L1793-S1796 PolarHBondContact O-OG 3.13Å; L1793-L1870 HydrophobicContact CD1-CD1 3.62Å; L1793-L1885 HydrophobicContact CD2-CD1 3.79Å; L1793-Y1888 HydrophobicContact CD1-CD1 4.18Å; L1793-Y1888 HydrophobicContact CD1-CD2 4.12Å; L1793-Y1888 HydrophobicContact CD1-CG 3.88Å; L1793-Y1888 HydrophobicContact CD2-CD1 3.83Å; L1793-Y1888 HydrophobicContact CD2-CE1 4.11Å; L1793-Y1888 HydrophobicContact CD2-CG 4.36Å |
| 1794 | D | 87.8 | Confident | 88.8 | Confident | 141 Ų | 141 | 58 Ų | 58 | 75% | 0.754 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -53.9 | -34.9 | -179.5 | -44.5 | -45 | 0 | 0 | 0 | 112.8 | S1796 E1797 | D1794-S1796 PolarHBondContact O-N 3.36Å; D1794-S1796 VanDerWaalsContact O-N 3.13Å; D1794-E1797 PolarHBondContact O-N 2.58Å |
| 1795 | I | 87.9 | Confident | 88.3 | Confident | 14 Ų | 14 | 60.3 Ų | 60.3 | 7% | 0.072 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -63.4 | -14.5 | 176.1 | 56.4 | 151.5 | 0 | 0 | 0 | 114.6 | L1793 F1799 N1863 L1866 V1867 L1870 Y1888 | L1793-I1795 HydrophobicContact CB-CG1 3.85Å; L1793-I1795 HydrophobicContact CD1-CD1 4.45Å; L1793-I1795 HydrophobicContact CD1-CG1 4.48Å; L1793-I1795 PolarHBondContact O-N 2.62Å; L1793-I1795 VanDerWaalsContact O-N 3.09Å; I1795-F1799 WeakPolarHBondContact O-CE2 3.41Å; I1795-N1863 HydrophobicContact CB-CB 4.25Å; I1795-L1866 HydrophobicContact CD1-CB 3.72Å; I1795-L1866 HydrophobicContact CD1-CD1 4.29Å; I1795-V1867 HydrophobicContact CD1-CG2 4.14Å; I1795-L1870 HydrophobicContact CD1-CD1 4.2Å; I1795-Y1888 HydrophobicContact CD1-CD2 3.89Å; I1795-Y1888 HydrophobicContact CD1-CE2 3.5Å; I1795-Y1888 VanDerWaalsContact CD1-CE2 3.5Å; I1795-Y1888 HydrophobicContact CG1-CD2 4.46Å; I1795-Y1888 HydrophobicContact CG1-CE2 3.73Å; I1795-Y1888 HydrophobicContact CG2-CE2 4.02Å; I1795-Y1888 WeakPolarHBondContact CG2-OH 3.29Å |
| 1796 | S | 90.8 | Very high | 87.8 | Confident | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.007 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -91.9 | -15.9 | -176.4 | 73.2 | 0 | 0 | 0 | 0 | 114 | I1790 M1791 L1793 D1794 Q1798 F1799 I1800 | I1790-S1796 WeakPolarHBondContact O-CB 3.21Å; I1790-S1796 PolarHBondContact O-OG 3.44Å; I1790-S1796 VanDerWaalsContact O-OG 3.07Å; M1791-S1796 WeakPolarHBondContact CA-OG 3.37Å; M1791-S1796 PolarHBondContact O-OG 3.17Å; L1793-S1796 VanDerWaalsContact O-CB 3.32Å; L1793-S1796 WeakPolarHBondContact O-CB 3.44Å; L1793-S1796 PolarHBondContact O-N 3.34Å; L1793-S1796 PolarHBondContact O-OG 3.13Å; D1794-S1796 PolarHBondContact O-N 3.36Å; D1794-S1796 VanDerWaalsContact O-N 3.13Å; S1796-Q1798 PolarHBondContact O-N 3.01Å; S1796-F1799 PolarHBondContact O-N 3.3Å; S1796-I1800 PolarHBondContact O-N 2.98Å |
| 1797 | E | 88.4 | Confident | 87.2 | Confident | 151 Ų | 151 | 61.5 Ų | 61.5 | 71% | 0.706 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -50.5 | -41.1 | -169.2 | -174.3 | 177.8 | -158.8 | 0 | 0 | 112.9 | D1794 F1799 | D1794-E1797 PolarHBondContact O-N 2.58Å; E1797-F1799 PolarHBondContact O-N 3.46Å |
| 1798 | Q | 86.6 | Confident | 86.8 | Confident | 98 Ų | 98 | 66.7 Ų | 66.7 | 46% | 0.458 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -69.4 | -12.3 | -179.1 | -65.2 | 173.3 | -25.4 | 0 | 0 | 114.6 | S1796 | S1796-Q1798 PolarHBondContact O-N 3.01Š|
| 1799 | F | 93.4 | Very high | 86.1 | Confident | 13 Ų | 13 | 68.4 Ų | 68.4 | 6% | 0.057 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -121.2 | 0.3 | -175.4 | -41.4 | -64.5 | 0 | 0 | 0 | 113.2 | I1795 S1796 E1797 N1801 L1821 L1846 T1850 I1860 N1863 A1864 V1867 | I1795-F1799 WeakPolarHBondContact O-CE2 3.41Å; S1796-F1799 PolarHBondContact O-N 3.3Å; E1797-F1799 PolarHBondContact O-N 3.46Å; F1799-N1801 VanDerWaalsContact C-N 3.35Å; F1799-L1821 HydrophobicContact CB-CD1 4.03Å; F1799-L1821 HydrophobicContact CB-CG 4.12Å; F1799-L1821 WeakPolarHBondContact O-CB 3.28Å; F1799-L1821 WeakPolarHBondContact O-CG 3.4Å; F1799-L1821 PolarHBondContact O-N 2.86Å; F1799-L1846 HydrophobicContact CB-CD1 4.45Å; F1799-L1846 HydrophobicContact CD1-CD2 4.16Å; F1799-L1846 HydrophobicContact CG-CD2 4.29Å; F1799-T1850 HydrophobicContact CD1-CG2 4.18Å; F1799-T1850 HydrophobicContact CE1-CG2 3.66Å; F1799-I1860 HydrophobicContact CE1-CG2 4.02Å; F1799-I1860 HydrophobicContact CZ-CG2 4.08Å; F1799-N1863 HydrophobicContact CE2-CB 3.94Å; F1799-N1863 HydrophobicContact CZ-CB 4.19Å; F1799-A1864 HydrophobicContact CE1-CB 4.14Å; F1799-A1864 HydrophobicContact CE2-CB 4.35Å; F1799-A1864 HydrophobicContact CZ-CB 3.77Å; F1799-V1867 HydrophobicContact CD2-CG2 4.02Å; F1799-V1867 HydrophobicContact CE2-CG2 4.23Å |
| 1800 | I | 90.9 | Very high | 85.6 | Confident | 39 Ų | 39 | 69.5 Ų | 69.5 | 20% | 0.2 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -65.5 | -38.1 | -179.1 | -73.3 | 173.5 | 0 | 0 | 0 | 111.7 | M1791 S1796 N1822 | M1791-I1800 HydrophobicContact CB-CG1 4.36Å; M1791-I1800 HydrophobicContact CE-CB 4.47Å; M1791-I1800 HydrophobicContact CE-CG1 4.36Å; M1791-I1800 HydrophobicContact CE-CG2 3.88Å; M1791-I1800 HydrophobicContact CG-CG1 4.42Å; M1791-I1800 WeakPolarHBondContact O-CD1 3.39Å; S1796-I1800 PolarHBondContact O-N 2.98Å; I1800-N1822 VanDerWaalsContact O-CB 3.22Å; I1800-N1822 WeakPolarHBondContact O-CB 3.33Å; I1800-N1822 PolarHBondContact O-N 3.01Å; I1800-N1822 PolarHBondContact O-ND2 3.31Å |
| 1801 | N | 89.2 | Confident | 85.2 | Confident | 101 Ų | 101 | 69.8 Ų | 69.8 | 54% | 0.54 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -118.2 | 157 | -175.3 | -64.9 | -52.5 | 0 | 0 | 0 | 110.8 | F1799 N1822 | F1799-N1801 VanDerWaalsContact C-N 3.35Å; N1801-N1822 PolarHBondContact OD1-ND2 2.97Å |
| 1802 | P | 88 | Confident | 84.5 | Confident | 86 Ų | 86 | 71.4 Ų | 71.4 | 56% | 0.558 | 39% | 0.387 | S | S | * | . | trans | -57.9 | 144.7 | 171.4 | 24.5 | -35 | 0 | 0 | 0 | 111.4 | D1804 | P1802-D1804 PolarHBondContact O-N 3Š| ||
| 1803 | V | 86.3 | Confident | 83.6 | Confident | 51 Ų | 51 | 71.7 Ų | 71.7 | 31% | 0.309 | 39% | 0.386 | S | S | . | . | trans | -61.6 | 129.4 | 179 | 178.4 | 0 | 0 | 0 | 0 | 110.1 | L1805 Y1808 Y1811 | V1803-L1805 PolarHBondContact O-N 3.21Å; V1803-Y1808 HydrophobicContact CG1-CD2 3.6Å; V1803-Y1808 HydrophobicContact CG1-CE2 4.44Å; V1803-Y1808 HydrophobicContact CG1-CG 4.11Å; V1803-Y1811 HydrophobicContact CB-CE1 4.48Å; V1803-Y1811 HydrophobicContact CB-CE2 4.49Å; V1803-Y1811 HydrophobicContact CG1-CD2 4.08Å; V1803-Y1811 HydrophobicContact CG1-CE2 4.28Å; V1803-Y1811 HydrophobicContact CG1-CG 4.26Å; V1803-Y1811 HydrophobicContact CG2-CE1 4.32Å; V1803-Y1811 HydrophobicContact CG2-CE2 3.98Å | ||
| 1804 | D | 80.1 | Confident | 83 | Confident | 97 Ų | 97 | 74.2 Ų | 74.2 | 52% | 0.519 | 40% | 0.399 | S | S | . | . | trans | -68.9 | 105.2 | 177.5 | -178.2 | 7.1 | 0 | 0 | 0 | 110.8 | P1802 A1806 A1807 Y1808 | P1802-D1804 PolarHBondContact O-N 3Å; D1804-A1806 PolarHBondContact O-N 3.07Å; D1804-A1806 VanDerWaalsContact OD1-CB 3.28Å; D1804-A1806 WeakPolarHBondContact OD1-CB 3.39Å; D1804-A1806 PolarHBondContact OD1-N 3.1Å; D1804-A1807 HydrophobicContact CB-CB 4.22Å; D1804-A1807 PolarHBondContact O-N 3.5Å; D1804-Y1808 PolarHBondContact O-N 2.91Å | ||
| 1805 | L | 77.5 | Confident | 82.8 | Confident | 76 Ų | 76 | 67.5 Ų | 67.5 | 40% | 0.398 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -13.1 | 178.8 | -57.7 | 179.5 | 0 | 0 | 0 | 113.3 | V1803 P1809 Y1811 L1812 | V1803-L1805 PolarHBondContact O-N 3.21Å; L1805-P1809 WeakPolarHBondContact O-CA 3.48Å; L1805-P1809 WeakPolarHBondContact O-CB 3.45Å; L1805-Y1811 HydrophobicContact CD2-CD1 4.45Å; L1805-L1812 HydrophobicContact CD1-CD1 3.63Å; L1805-L1812 HydrophobicContact CD1-CG 4.05Å; L1805-L1812 HydrophobicContact CD2-CD1 4.4Å; L1805-L1812 HydrophobicContact CD2-CD2 4.45Å; L1805-L1812 HydrophobicContact CD2-CG 3.92Å |
| 1806 | A | 73.6 | Confident | 82.2 | Confident | 64 Ų | 64 | 67.9 Ų | 67.9 | 53% | 0.529 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -30.1 | 169 | 0 | 0 | 0 | 0 | 0 | 111.9 | M360 D1804 | M360-A1806 HydrophobicContact CE-CB 3.76Å; D1804-A1806 PolarHBondContact O-N 3.07Å; D1804-A1806 VanDerWaalsContact OD1-CB 3.28Å; D1804-A1806 WeakPolarHBondContact OD1-CB 3.39Å; D1804-A1806 PolarHBondContact OD1-N 3.1Å |
| 1807 | A | 76.3 | Confident | 81.7 | Confident | 58 Ų | 58 | 69.5 Ų | 69.5 | 48% | 0.479 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -34.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | D1804 P1809 | D1804-A1807 HydrophobicContact CB-CB 4.22Å; D1804-A1807 PolarHBondContact O-N 3.5Å; A1807-P1809 VanDerWaalsContact C-CD 3.47Å; A1807-P1809 WeakPolarHBondContact O-CD 3.47Å |
| 1808 | Y | 82.2 | Confident | 81.5 | Confident | 118 Ų | 118 | 65 Ų | 65 | 46% | 0.463 | 36% | 0.356 | S | S | . | . | trans | -127 | 64.7 | -176.1 | -54.1 | -75.5 | 0 | 0 | 0 | 112 | V1803 D1804 D1810 Y1811 Y1853 | V1803-Y1808 HydrophobicContact CG1-CD2 3.6Å; V1803-Y1808 HydrophobicContact CG1-CE2 4.44Å; V1803-Y1808 HydrophobicContact CG1-CG 4.11Å; D1804-Y1808 PolarHBondContact O-N 2.91Å; Y1808-D1810 PolarHBondContact O-N 2.8Å; Y1808-Y1811 WeakPolarHBondContact O-CB 3.49Å; Y1808-Y1811 PolarHBondContact O-N 2.83Å; Y1808-Y1811 VanDerWaalsContact O-N 3.11Å; Y1808-Y1853 HydrophobicContact CD1-CE1 4.01Å; Y1808-Y1853 WeakPolarHBondContact CD1-OH 3.21Å | ||
| 1809 | P | 75.1 | Confident | 81.6 | Confident | 88 Ų | 88 | 60.8 Ų | 60.8 | 57% | 0.571 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -18.3 | -172.9 | 28.4 | -36.6 | 0 | 0 | 0 | 114.3 | L1805 A1807 | L1805-P1809 WeakPolarHBondContact O-CA 3.48Å; L1805-P1809 WeakPolarHBondContact O-CB 3.45Å; A1807-P1809 VanDerWaalsContact C-CD 3.47Å; A1807-P1809 WeakPolarHBondContact O-CD 3.47Å |
| 1810 | D | 77.7 | Confident | 81.6 | Confident | 74 Ų | 74 | 61 Ų | 61 | 40% | 0.396 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -15.3 | 174.3 | 65.1 | -28.8 | 0 | 0 | 0 | 113.1 | Y1808 L1812 F1813 Y1853 | Y1808-D1810 PolarHBondContact O-N 2.8Å; D1810-L1812 VanDerWaalsContact C-N 3.34Å; D1810-L1812 PolarHBondContact O-N 3.45Å; D1810-F1813 WeakPolarHBondContact O-CB 3.09Å; D1810-F1813 PolarHBondContact O-N 2.86Å; D1810-Y1853 WeakPolarHBondContact OD1-CE2 3.3Å; D1810-Y1853 PolarHBondContact OD1-OH 3.24Å; D1810-Y1853 PolarHBondContact OD2-OH 2.81Å |
| 1811 | Y | 83.2 | Confident | 81.7 | Confident | 12 Ų | 12 | 59.3 Ų | 59.3 | 5% | 0.047 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -54.7 | -43.7 | -174.8 | -170.6 | -88 | 0 | 0 | 0 | 113 | V1803 L1805 Y1808 F1813 I1814 N1815 P1818 Y1853 | V1803-Y1811 HydrophobicContact CB-CE1 4.48Å; V1803-Y1811 HydrophobicContact CB-CE2 4.49Å; V1803-Y1811 HydrophobicContact CG1-CD2 4.08Å; V1803-Y1811 HydrophobicContact CG1-CE2 4.28Å; V1803-Y1811 HydrophobicContact CG1-CG 4.26Å; V1803-Y1811 HydrophobicContact CG2-CE1 4.32Å; V1803-Y1811 HydrophobicContact CG2-CE2 3.98Å; L1805-Y1811 HydrophobicContact CD2-CD1 4.45Å; Y1808-Y1811 WeakPolarHBondContact O-CB 3.49Å; Y1808-Y1811 PolarHBondContact O-N 2.83Å; Y1808-Y1811 VanDerWaalsContact O-N 3.11Å; Y1811-F1813 VanDerWaalsContact C-N 3.3Å; Y1811-F1813 PolarHBondContact O-N 3.34Å; Y1811-I1814 PolarHBondContact O-N 3.5Å; Y1811-N1815 HydrophobicContact CD1-CB 4.05Å; Y1811-N1815 HydrophobicContact CE1-CB 3.73Å; Y1811-N1815 WeakPolarHBondContact CE2-ND2 3.39Å; Y1811-N1815 VanDerWaalsContact CZ-ND2 3.32Å; Y1811-N1815 WeakPolarHBondContact O-CB 3.06Å; Y1811-N1815 PolarHBondContact O-N 2.99Å; Y1811-P1818 HydrophobicContact CE1-CB 4.17Å; Y1811-Y1853 AromaticContact CD2-CD1 3.93Å; Y1811-Y1853 HydrophobicContact CD2-CD1 3.93Å; Y1811-Y1853 AromaticContact CD2-CD2 3.63Å; Y1811-Y1853 HydrophobicContact CD2-CD2 3.63Å; Y1811-Y1853 HydrophobicContact CD2-CE1 4.2Å; Y1811-Y1853 AromaticContact CD2-CE2 3.94Å; Y1811-Y1853 HydrophobicContact CD2-CE2 3.94Å; Y1811-Y1853 AromaticContact CD2-CG 3.65Å; Y1811-Y1853 HydrophobicContact CD2-CG 3.65Å; Y1811-Y1853 HydrophobicContact CE2-CD1 4.27Å; Y1811-Y1853 HydrophobicContact CE2-CD2 4.37Å; Y1811-Y1853 AromaticContact CE2-CG 4Å; Y1811-Y1853 HydrophobicContact CE2-CG 4Å; Y1811-Y1853 HydrophobicContact CG-CD2 4.31Å; Y1811-Y1853 HydrophobicContact CG-CE2 4.43Å |
| 1812 | L | 78.3 | Confident | 81.8 | Confident | 63 Ų | 63 | 56.7 Ų | 56.7 | 33% | 0.33 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -69.3 | -22.1 | 179.4 | -72.3 | -177.2 | 0 | 0 | 0 | 114.3 | I1419 L1805 D1810 I1814 P1818 | I1419-L1812 VanDerWaalsContact CD1-O 3.27Å; I1419-L1812 WeakPolarHBondContact CD1-O 3.43Å; L1805-L1812 HydrophobicContact CD1-CD1 3.63Å; L1805-L1812 HydrophobicContact CD1-CG 4.05Å; L1805-L1812 HydrophobicContact CD2-CD1 4.4Å; L1805-L1812 HydrophobicContact CD2-CD2 4.45Å; L1805-L1812 HydrophobicContact CD2-CG 3.92Å; D1810-L1812 VanDerWaalsContact C-N 3.34Å; D1810-L1812 PolarHBondContact O-N 3.45Å; L1812-I1814 VanDerWaalsContact C-N 3.27Å; L1812-P1818 HydrophobicContact CD2-CG 4.03Å |
| 1813 | F | 71.7 | Confident | 81.8 | Confident | 141 Ų | 141 | 56 Ų | 56 | 62% | 0.618 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -75.9 | -19.6 | 174.9 | -66.3 | -88 | 0 | 0 | 0 | 112.2 | F1531 D1810 Y1811 | F1531-F1813 HydrophobicContact CZ-CE1 4.48Å; D1810-F1813 WeakPolarHBondContact O-CB 3.09Å; D1810-F1813 PolarHBondContact O-N 2.86Å; Y1811-F1813 VanDerWaalsContact C-N 3.3Å; Y1811-F1813 PolarHBondContact O-N 3.34Å |
| 1814 | I | 79.1 | Confident | 81.9 | Confident | 72 Ų | 72 | 53.5 Ų | 53.5 | 37% | 0.369 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -100.4 | -43 | 177.9 | -63.7 | 168.7 | 0 | 0 | 0 | 110.6 | Y1811 L1812 R1852 Y1853 | Y1811-I1814 PolarHBondContact O-N 3.5Å; L1812-I1814 VanDerWaalsContact C-N 3.27Å; I1814-R1852 HydrophobicContact CG2-CB 3.99Å; I1814-Y1853 HydrophobicContact CB-CD2 4.45Å; I1814-Y1853 HydrophobicContact CD1-CD2 3.77Å; I1814-Y1853 HydrophobicContact CD1-CE2 4.04Å |
| 1815 | N | 82.1 | Confident | 82.4 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | trans | -118.5 | 87.4 | -174.6 | -67.5 | -28.5 | 0 | 0 | 0 | 110.5 | Y1811 Y1817 N1849 R1852 | Y1811-N1815 HydrophobicContact CD1-CB 4.05Å; Y1811-N1815 HydrophobicContact CE1-CB 3.73Å; Y1811-N1815 WeakPolarHBondContact CE2-ND2 3.39Å; Y1811-N1815 VanDerWaalsContact CZ-ND2 3.32Å; Y1811-N1815 WeakPolarHBondContact O-CB 3.06Å; Y1811-N1815 PolarHBondContact O-N 2.99Å; N1815-Y1817 PolarHBondContact O-N 2.91Å; N1815-N1849 HydrophobicContact CB-CB 4.33Å; N1815-N1849 PolarHBondContact ND2-O 3.4Å; N1815-N1849 WeakPolarHBondContact OD1-CA 3.39Å; N1815-N1849 PolarHBondContact OD1-OD1 3.5Å; N1815-R1852 WeakPolarHBondContact OD1-CB 3.48Å; N1815-R1852 WeakPolarHBondContact OD1-CD 3.42Å | ||
| 1816 | V | 74.8 | Confident | 82.6 | Confident | 22 Ų | 22 | 50 Ų | 50 | 13% | 0.133 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -60.6 | -29.6 | -175.1 | -176.2 | 0 | 0 | 0 | 0 | 113.6 | I1419 R1533 | I1419-V1816 HydrophobicContact CD1-CB 4.39Å; I1419-V1816 HydrophobicContact CD1-CG1 4.11Å; I1419-V1816 HydrophobicContact CD1-CG2 3.93Å; I1419-V1816 HydrophobicContact CG1-CB 4.32Å; I1419-V1816 HydrophobicContact CG1-CG1 3.69Å; I1419-V1816 HydrophobicContact CG1-CG2 3.81Å; R1533-V1816 HydrophobicContact CG-CG1 3.84Å |
| 1817 | Y | 80.3 | Confident | 82.8 | Confident | 35 Ų | 35 | 48 Ų | 48 | 14% | 0.137 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -122.3 | 90.3 | -179.2 | -169.2 | -98.7 | 0 | 0 | 0 | 109.4 | Y1417 N1815 V1819 F1823 R1827 Q1845 N1849 | Y1417-Y1817 HydrophobicContact CD1-CD2 4.25Å; Y1417-Y1817 HydrophobicContact CD2-CD2 4.28Å; Y1417-Y1817 AromaticContact CD2-CG 3.93Å; Y1417-Y1817 HydrophobicContact CD2-CG 3.93Å; Y1417-Y1817 AromaticContact CE1-CD2 3.75Å; Y1417-Y1817 HydrophobicContact CE1-CD2 3.75Å; Y1417-Y1817 HydrophobicContact CE1-CE2 4.16Å; Y1417-Y1817 HydrophobicContact CE1-CG 4.35Å; Y1417-Y1817 AromaticContact CE2-CD1 3.97Å; Y1417-Y1817 HydrophobicContact CE2-CD1 3.97Å; Y1417-Y1817 AromaticContact CE2-CD2 3.78Å; Y1417-Y1817 HydrophobicContact CE2-CD2 3.78Å; Y1417-Y1817 HydrophobicContact CE2-CE1 4.5Å; Y1417-Y1817 HydrophobicContact CE2-CE2 4.34Å; Y1417-Y1817 AromaticContact CE2-CG 3.56Å; Y1417-Y1817 HydrophobicContact CE2-CG 3.56Å; Y1417-Y1817 HydrophobicContact CG-CD2 4.49Å; Y1417-Y1817 HydrophobicContact CG-CG 4.46Å; Y1417-Y1817 AromaticContact CZ-CD2 3.48Å; Y1417-Y1817 VanDerWaalsContact CZ-CD2 3.48Å; Y1417-Y1817 AromaticContact CZ-CE2 3.75Å; Y1417-Y1817 AromaticContact CZ-CG 3.79Å; Y1417-Y1817 WeakPolarHBondContact OH-CE2 3.39Å; N1815-Y1817 PolarHBondContact O-N 2.91Å; Y1817-V1819 HydrophobicContact CD1-CG2 3.53Å; Y1817-V1819 HydrophobicContact CE1-CG2 3.63Å; Y1817-F1823 HydrophobicContact CE1-CE1 4.42Å; Y1817-R1827 PolarHBondContact OH-NH1 3.1Å; Y1817-Q1845 HydrophobicContact CD1-CG 4.15Å; Y1817-N1849 PolarHBondContact O-ND2 2.95Å |
| 1818 | P | 85.1 | Confident | 83 | Confident | 57 Ų | 57 | 45.3 Ų | 45.3 | 37% | 0.37 | 23% | 0.228 | S | C | . | . | trans | -67.9 | 143.4 | 177.9 | 29.2 | -35.4 | 0 | 0 | 0 | 110.9 | Y1811 L1812 | Y1811-P1818 HydrophobicContact CE1-CB 4.17Å; L1812-P1818 HydrophobicContact CD2-CG 4.03Å | ||
| 1819 | V | 88.7 | Confident | 82.8 | Confident | 10 Ų | 10 | 44 Ų | 44 | 6% | 0.061 | 23% | 0.228 | C | C | . | . | trans | -143.3 | 130.5 | -179.4 | -176.5 | 0 | 0 | 0 | 0 | 109.6 | Y1817 F1823 I1824 D1842 Q1845 L1846 | Y1817-V1819 HydrophobicContact CD1-CG2 3.53Å; Y1817-V1819 HydrophobicContact CE1-CG2 3.63Å; V1819-F1823 HydrophobicContact CG1-CD1 4.19Å; V1819-I1824 HydrophobicContact CG1-CD1 3.76Å; V1819-I1824 HydrophobicContact CG1-CG1 3.81Å; V1819-D1842 HydrophobicContact CG1-CB 4.22Å; V1819-Q1845 HydrophobicContact CG2-CB 4.21Å; V1819-Q1845 HydrophobicContact CG2-CG 4.03Å; V1819-L1846 HydrophobicContact CB-CB 4.28Å; V1819-L1846 HydrophobicContact CG1-CB 4.17Å | ||
| 1820 | D | 92.9 | Very high | 82.5 | Confident | 17 Ų | 17 | 43.1 Ų | 43.1 | 9% | 0.091 | 22% | 0.219 | C | C | . | . | trans | -131.7 | 168 | 176 | 65.6 | -88 | 0 | 0 | 0 | 111.3 | N1822 F1823 I1824 | D1820-N1822 PolarHBondContact O-N 3.31Å; D1820-N1822 WeakPolarHBondContact OD2-CA 3.46Å; D1820-N1822 VanDerWaalsContact OD2-CB 3.28Å; D1820-N1822 WeakPolarHBondContact OD2-CB 3.16Å; D1820-N1822 PolarHBondContact OD2-N 2.81Å; D1820-F1823 WeakPolarHBondContact O-CB 3.29Å; D1820-F1823 PolarHBondContact O-N 2.92Å; D1820-F1823 WeakPolarHBondContact OD1-CB 3.5Å; D1820-F1823 PolarHBondContact OD2-N 3.17Å; D1820-I1824 WeakPolarHBondContact O-CG1 3.36Å; D1820-I1824 PolarHBondContact O-N 3.39Å | ||
| 1821 | L | 93.5 | Very high | 82.1 | Confident | 4 Ų | 4 | 39.8 Ų | 39.8 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -69.4 | -30.9 | -176.6 | -64.6 | 174 | 0 | 0 | 0 | 112.8 | M1791 F1799 L1825 L1843 L1846 V1867 | M1791-L1821 HydrophobicContact CE-CB 4.26Å; M1791-L1821 HydrophobicContact CG-CB 4Å; M1791-L1821 HydrophobicContact CG-CD1 3.88Å; M1791-L1821 HydrophobicContact SD-CB 4.11Å; F1799-L1821 HydrophobicContact CB-CD1 4.03Å; F1799-L1821 HydrophobicContact CB-CG 4.12Å; F1799-L1821 WeakPolarHBondContact O-CB 3.28Å; F1799-L1821 WeakPolarHBondContact O-CG 3.4Å; F1799-L1821 PolarHBondContact O-N 2.86Å; L1821-L1825 WeakPolarHBondContact O-CB 3.38Å; L1821-L1825 PolarHBondContact O-N 3.39Å; L1821-L1843 HydrophobicContact CD2-CD2 4.49Å; L1821-L1846 HydrophobicContact CD2-CD1 4.12Å; L1821-L1846 HydrophobicContact CG-CD1 4.31Å; L1821-V1867 HydrophobicContact CD1-CG1 4.4Å; L1821-V1867 HydrophobicContact CD2-CG1 4.09Å |
| 1822 | N | 91.4 | Very high | 81.6 | Confident | 46 Ų | 46 | 44.3 Ų | 44.3 | 25% | 0.246 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -69.1 | -38.7 | 172.7 | -93.4 | -37.3 | 0 | 0 | 0 | 111.3 | M1791 I1800 N1801 D1820 L1825 N1826 | M1791-N1822 WeakPolarHBondContact CE-OD1 3.2Å; I1800-N1822 VanDerWaalsContact O-CB 3.22Å; I1800-N1822 WeakPolarHBondContact O-CB 3.33Å; I1800-N1822 PolarHBondContact O-N 3.01Å; I1800-N1822 PolarHBondContact O-ND2 3.31Å; N1801-N1822 PolarHBondContact OD1-ND2 2.97Å; D1820-N1822 PolarHBondContact O-N 3.31Å; D1820-N1822 WeakPolarHBondContact OD2-CA 3.46Å; D1820-N1822 VanDerWaalsContact OD2-CB 3.28Å; D1820-N1822 WeakPolarHBondContact OD2-CB 3.16Å; D1820-N1822 PolarHBondContact OD2-N 2.81Å; N1822-L1825 PolarHBondContact O-N 2.84Å; N1822-N1826 VanDerWaalsContact O-CB 3.28Å; N1822-N1826 WeakPolarHBondContact O-CB 3.42Å; N1822-N1826 VanDerWaalsContact O-CG 3.22Å; N1822-N1826 PolarHBondContact O-N 3.42Å; N1822-N1826 PolarHBondContact O-ND2 3.48Å |
| 1823 | F | 88.2 | Confident | 81.6 | Confident | 70 Ų | 70 | 41.4 Ų | 41.4 | 31% | 0.307 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -59.5 | -49.4 | 172.1 | 178.8 | -101.4 | 0 | 0 | 0 | 111.5 | Y1817 V1819 D1820 L1825 N1826 R1827 | Y1817-F1823 HydrophobicContact CE1-CE1 4.42Å; V1819-F1823 HydrophobicContact CG1-CD1 4.19Å; D1820-F1823 WeakPolarHBondContact O-CB 3.29Å; D1820-F1823 PolarHBondContact O-N 2.92Å; D1820-F1823 WeakPolarHBondContact OD1-CB 3.5Å; D1820-F1823 PolarHBondContact OD2-N 3.17Å; F1823-L1825 PolarHBondContact O-N 2.93Å; F1823-N1826 PolarHBondContact O-N 3.13Å; F1823-R1827 HydrophobicContact CE1-CG 4.4Å; F1823-R1827 HydrophobicContact CZ-CG 4.43Å; F1823-R1827 WeakPolarHBondContact O-CG 3.28Å; F1823-R1827 PolarHBondContact O-N 3.03Å |
| 1824 | I | 88.8 | Confident | 81.6 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.2 | -45.1 | 176.5 | -63.8 | 173.6 | 0 | 0 | 0 | 111.1 | I1787 V1819 D1820 N1826 R1827 L1828 Y1833 M1839 D1842 L1843 L1846 | I1787-I1824 HydrophobicContact CD1-CG2 3.97Å; V1819-I1824 HydrophobicContact CG1-CD1 3.76Å; V1819-I1824 HydrophobicContact CG1-CG1 3.81Å; D1820-I1824 WeakPolarHBondContact O-CG1 3.36Å; D1820-I1824 PolarHBondContact O-N 3.39Å; I1824-N1826 PolarHBondContact O-N 2.94Å; I1824-R1827 PolarHBondContact O-N 3.16Å; I1824-L1828 WeakPolarHBondContact O-CB 3.46Å; I1824-L1828 PolarHBondContact O-N 2.65Å; I1824-Y1833 HydrophobicContact CG2-CE2 4.21Å; I1824-M1839 HydrophobicContact CG2-CG 4.4Å; I1824-D1842 HydrophobicContact CD1-CB 4.11Å; I1824-D1842 HydrophobicContact CG1-CB 4.03Å; I1824-L1843 HydrophobicContact CD1-CD2 3.75Å; I1824-L1843 HydrophobicContact CD1-CG 4.08Å; I1824-L1846 HydrophobicContact CD1-CD1 4.34Å |
| 1825 | L | 90.5 | Very high | 81.5 | Confident | 17 Ų | 17 | 33.8 Ų | 33.8 | 9% | 0.089 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.3 | -43.3 | 177.9 | -179.8 | 61.5 | 0 | 0 | 0 | 111.8 | V1784 I1787 T1788 M1791 L1821 N1822 F1823 L1828 L1829 | V1784-L1825 HydrophobicContact CG1-CD1 4.16Å; V1784-L1825 HydrophobicContact CG2-CD1 4.34Å; I1787-L1825 HydrophobicContact CB-CD1 4.49Å; I1787-L1825 HydrophobicContact CG2-CB 4.25Å; I1787-L1825 HydrophobicContact CG2-CD1 4.23Å; T1788-L1825 HydrophobicContact CG2-CD1 4.16Å; T1788-L1825 HydrophobicContact CG2-CD2 4.05Å; M1791-L1825 HydrophobicContact CE-CD2 4.33Å; M1791-L1825 HydrophobicContact SD-CD2 3.94Å; L1821-L1825 WeakPolarHBondContact O-CB 3.38Å; L1821-L1825 PolarHBondContact O-N 3.39Å; N1822-L1825 PolarHBondContact O-N 2.84Å; F1823-L1825 PolarHBondContact O-N 2.93Å; L1825-L1828 PolarHBondContact O-N 3.41Å; L1825-L1829 HydrophobicContact CD1-CD1 4.15Å; L1825-L1829 HydrophobicContact CD1-CG 4.24Å; L1825-L1829 HydrophobicContact CG-CD1 3.95Å; L1825-L1829 HydrophobicContact CG-CG 4.47Å; L1825-L1829 WeakPolarHBondContact O-CB 3.39Å; L1825-L1829 VanDerWaalsContact O-CG 3.31Å; L1825-L1829 WeakPolarHBondContact O-CG 3.23Å; L1825-L1829 PolarHBondContact O-N 2.62Å |
| 1826 | N | 80.6 | Confident | 81.2 | Confident | 82 Ų | 82 | 35.4 Ų | 35.4 | 44% | 0.439 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -66.6 | -39.7 | 176.7 | -75 | -42.5 | 0 | 0 | 0 | 111.9 | N1822 F1823 I1824 L1828 N1830 | N1822-N1826 VanDerWaalsContact O-CB 3.28Å; N1822-N1826 WeakPolarHBondContact O-CB 3.42Å; N1822-N1826 VanDerWaalsContact O-CG 3.22Å; N1822-N1826 PolarHBondContact O-N 3.42Å; N1822-N1826 PolarHBondContact O-ND2 3.48Å; F1823-N1826 PolarHBondContact O-N 3.13Å; I1824-N1826 PolarHBondContact O-N 2.94Å; N1826-L1828 VanDerWaalsContact C-N 3.31Å; N1826-L1828 PolarHBondContact O-N 2.99Å; N1826-N1830 VanDerWaalsContact O-CB 3.26Å; N1826-N1830 WeakPolarHBondContact O-CB 3.39Å; N1826-N1830 PolarHBondContact O-N 3.16Å |
| 1827 | R | 79.4 | Confident | 81.5 | Confident | 21 Ų | 21 | 38.4 Ų | 38.4 | 8% | 0.079 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.9 | -35.6 | 173 | -69.5 | -173.2 | 91.2 | 176.6 | 15.8 | 112.4 | Y1817 F1823 I1824 N1830 G1831 Y1832 Y1833 D1842 | Y1817-R1827 PolarHBondContact OH-NH1 3.1Å; F1823-R1827 HydrophobicContact CE1-CG 4.4Å; F1823-R1827 HydrophobicContact CZ-CG 4.43Å; F1823-R1827 WeakPolarHBondContact O-CG 3.28Å; F1823-R1827 PolarHBondContact O-N 3.03Å; I1824-R1827 PolarHBondContact O-N 3.16Å; R1827-N1830 CarbonylContact O-C 3.57Å; R1827-G1831 PolarHBondContact O-N 2.61Å; R1827-Y1832 HydrophobicContact CB-CD2 4.39Å; R1827-Y1832 HydrophobicContact CG-CD2 4.23Å; R1827-Y1832 PolarHBondContact O-N 3.08Å; R1827-Y1833 HydrophobicContact CB-CD2 4.17Å; R1827-Y1833 HydrophobicContact CB-CE1 4.36Å; R1827-Y1833 HydrophobicContact CB-CE2 3.55Å; R1827-D1842 IonicContact CZ-OD2 3.79Å; R1827-D1842 IonicContact NH1-OD1 3.42Å; R1827-D1842 PolarHBondContact NH1-OD1 3.09Å; R1827-D1842 IonicContact NH1-OD2 3.47Å; R1827-D1842 PolarHBondContact NH1-OD2 3.45Å |
| 1828 | L | 80.4 | Confident | 81.6 | Confident | 3 Ų | 3 | 36.8 Ų | 36.8 | 2% | 0.016 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -74.6 | -42.5 | 177.9 | -174.9 | 65.9 | 0 | 0 | 0 | 112.5 | I1780 L1783 V1784 I1787 I1824 L1825 N1826 G1831 Y1833 M1839 | I1780-L1828 HydrophobicContact CG2-CD1 4.33Å; I1780-L1828 HydrophobicContact CG2-CG 4.22Å; L1783-L1828 HydrophobicContact CB-CD2 3.66Å; V1784-L1828 HydrophobicContact CB-CD2 4.47Å; V1784-L1828 HydrophobicContact CG2-CD2 3.66Å; V1784-L1828 HydrophobicContact CG2-CG 3.9Å; I1787-L1828 HydrophobicContact CD1-CD2 3.58Å; I1824-L1828 WeakPolarHBondContact O-CB 3.46Å; I1824-L1828 PolarHBondContact O-N 2.65Å; L1825-L1828 PolarHBondContact O-N 3.41Å; N1826-L1828 VanDerWaalsContact C-N 3.31Å; N1826-L1828 PolarHBondContact O-N 2.99Å; L1828-G1831 PolarHBondContact O-N 2.99Å; L1828-Y1833 HydrophobicContact CB-CD2 4.13Å; L1828-Y1833 HydrophobicContact CB-CE2 4.16Å; L1828-Y1833 HydrophobicContact CD1-CD2 4.16Å; L1828-M1839 HydrophobicContact CD1-SD 4.43Å |
| 1829 | L | 76.9 | Confident | 81.7 | Confident | 91 Ų | 91 | 34.2 Ų | 34.2 | 48% | 0.476 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -63.8 | -42.1 | 175.2 | -75.6 | 169.9 | 0 | 0 | 0 | 111.9 | V1784 L1825 G1831 | V1784-L1829 HydrophobicContact CG1-CD2 4.02Å; V1784-L1829 HydrophobicContact CG2-CD2 3.82Å; V1784-L1829 HydrophobicContact CG2-CG 4.2Å; L1825-L1829 HydrophobicContact CD1-CD1 4.15Å; L1825-L1829 HydrophobicContact CD1-CG 4.24Å; L1825-L1829 HydrophobicContact CG-CD1 3.95Å; L1825-L1829 HydrophobicContact CG-CG 4.47Å; L1825-L1829 WeakPolarHBondContact O-CB 3.39Å; L1825-L1829 VanDerWaalsContact O-CG 3.31Å; L1825-L1829 WeakPolarHBondContact O-CG 3.23Å; L1825-L1829 PolarHBondContact O-N 2.62Å; L1829-G1831 PolarHBondContact O-N 3.11Å |
| 1830 | N | 69.3 | Low | 81.7 | Confident | 69 Ų | 69 | 36.8 Ų | 36.8 | 37% | 0.369 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 27.9 | 174.6 | -59.7 | -19.2 | 0 | 0 | 0 | 112 | H1754 N1826 R1827 Y1832 | H1754-N1830 PolarHBondContact NE2-O 2.9Å; N1826-N1830 VanDerWaalsContact O-CB 3.26Å; N1826-N1830 WeakPolarHBondContact O-CB 3.39Å; N1826-N1830 PolarHBondContact O-N 3.16Å; R1827-N1830 CarbonylContact O-C 3.57Å; N1830-Y1832 HydrophobicContact CB-CD2 4.01Å; N1830-Y1832 HydrophobicContact CB-CE1 4.4Å; N1830-Y1832 HydrophobicContact CB-CE2 3.76Å; N1830-Y1832 HydrophobicContact CB-CG 4.44Å; N1830-Y1832 WeakPolarHBondContact O-CD1 3.48Å; N1830-Y1832 PolarHBondContact O-N 3.21Å |
| 1831 | G | 69 | Low | 81.5 | Confident | 4 Ų | 4 | 37.9 Ų | 37.9 | 4% | 0.041 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 7.8 | 166.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | T1763 Y1776 R1827 L1828 L1829 Y1833 | T1763-G1831 WeakPolarHBondContact CG2-O 3.44Å; Y1776-G1831 PolarHBondContact OH-O 2.93Å; R1827-G1831 PolarHBondContact O-N 2.61Å; L1828-G1831 PolarHBondContact O-N 2.99Å; L1829-G1831 PolarHBondContact O-N 3.11Å; G1831-Y1833 PolarHBondContact O-N 2.97Å |
| 1832 | Y | 73.2 | Confident | 81.3 | Confident | 107 Ų | 107 | 38.2 Ų | 38.2 | 42% | 0.42 | 19% | 0.192 | S | C | . | . | trans | -68.1 | -24.1 | -165.4 | -69.6 | -37.8 | 0 | 0 | 0 | 112.5 | Q1354 H1754 R1827 N1830 R1834 | Q1354-Y1832 PolarHBondContact NE2-O 3.21Å; Q1354-Y1832 PolarHBondContact OE1-O 2.8Å; H1754-Y1832 AromaticContact NE2-CD1 3.72Å; H1754-Y1832 AromaticContact NE2-CE1 3.45Å; H1754-Y1832 WeakPolarHBondContact NE2-CE1 3.49Å; R1827-Y1832 HydrophobicContact CB-CD2 4.39Å; R1827-Y1832 HydrophobicContact CG-CD2 4.23Å; R1827-Y1832 PolarHBondContact O-N 3.08Å; N1830-Y1832 HydrophobicContact CB-CD2 4.01Å; N1830-Y1832 HydrophobicContact CB-CE1 4.4Å; N1830-Y1832 HydrophobicContact CB-CE2 3.76Å; N1830-Y1832 HydrophobicContact CB-CG 4.44Å; N1830-Y1832 WeakPolarHBondContact O-CD1 3.48Å; N1830-Y1832 PolarHBondContact O-N 3.21Å; Y1832-R1834 PolarHBondContact O-N 2.84Å | ||
| 1833 | Y | 77.2 | Confident | 81.4 | Confident | 1 Ų | 1 | 36.4 Ų | 36.4 | 0% | 0.004 | 18% | 0.182 | C | C | . | . | trans | -71.1 | 106.9 | 175.7 | -66.5 | -57.8 | 0 | 0 | 0 | 111.8 | W1767 I1824 R1827 L1828 G1831 Q1835 M1839 D1842 | W1767-Y1833 PolarHBondContact NE1-O 3.43Å; I1824-Y1833 HydrophobicContact CG2-CE2 4.21Å; R1827-Y1833 HydrophobicContact CB-CD2 4.17Å; R1827-Y1833 HydrophobicContact CB-CE1 4.36Å; R1827-Y1833 HydrophobicContact CB-CE2 3.55Å; L1828-Y1833 HydrophobicContact CB-CD2 4.13Å; L1828-Y1833 HydrophobicContact CB-CE2 4.16Å; L1828-Y1833 HydrophobicContact CD1-CD2 4.16Å; G1831-Y1833 PolarHBondContact O-N 2.97Å; Y1833-Q1835 VanDerWaalsContact C-N 3.28Å; Y1833-Q1835 PolarHBondContact O-N 3.06Å; Y1833-M1839 HydrophobicContact CD1-CB 4.16Å; Y1833-M1839 HydrophobicContact CD2-CB 4.07Å; Y1833-M1839 HydrophobicContact CD2-CG 4.38Å; Y1833-M1839 HydrophobicContact CE1-CB 4.25Å; Y1833-M1839 HydrophobicContact CE2-CB 4.15Å; Y1833-M1839 HydrophobicContact CE2-CG 4.13Å; Y1833-M1839 HydrophobicContact CG-CB 4.08Å; Y1833-D1842 VanDerWaalsContact CE1-OD2 3.25Å; Y1833-D1842 WeakPolarHBondContact CE1-OD2 3.3Å; Y1833-D1842 VanDerWaalsContact CZ-OD2 3.32Å; Y1833-D1842 PolarHBondContact OH-OD2 3.02Å | ||
| 1834 | R | 72.4 | Confident | 81.6 | Confident | 24 Ų | 24 | 36.2 Ų | 36.2 | 9% | 0.091 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -70.4 | -24.5 | 176.6 | -71.8 | 179.1 | -71.4 | -94.5 | 4.8 | 112.7 | L1352 D1357 T1763 W1767 Y1832 | L1352-R1834 PolarHBondContact O-NH2 2.91Å; D1357-R1834 IonicContact OD1-CZ 3.24Å; D1357-R1834 IonicContact OD1-NE 3.33Å; D1357-R1834 PolarHBondContact OD1-NE 3.12Å; D1357-R1834 IonicContact OD1-NH2 3.7Å; D1357-R1834 IonicContact OD2-CZ 3.4Å; D1357-R1834 IonicContact OD2-NE 2.66Å; D1357-R1834 PolarHBondContact OD2-NE 3.24Å; D1357-R1834 IonicContact OD2-NH2 2.61Å; D1357-R1834 PolarHBondContact OD2-NH2 2.86Å; T1763-R1834 HydrophobicContact CG2-CG 3.91Å; W1767-R1834 PolarHBondContact NE1-O 3.18Å; Y1832-R1834 PolarHBondContact O-N 2.84Å |
| 1835 | Q | 76.4 | Confident | 81.6 | Confident | 30 Ų | 30 | 37.7 Ų | 37.7 | 14% | 0.14 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -145.1 | 158.8 | 178.2 | -58.6 | -176.3 | 12.7 | 0 | 0 | 112.1 | G1356 Y1833 I1837 S1838 | G1356-Q1835 PolarHBondContact O-NE2 2.94Å; G1356-Q1835 PolarHBondContact O-OE1 3.43Å; Y1833-Q1835 VanDerWaalsContact C-N 3.28Å; Y1833-Q1835 PolarHBondContact O-N 3.06Å; Q1835-I1837 VanDerWaalsContact C-N 3.29Å; Q1835-I1837 HydrophobicContact CB-CG2 4Å; Q1835-I1837 PolarHBondContact O-N 2.99Å; Q1835-S1838 WeakPolarHBondContact O-CB 3.47Å; Q1835-S1838 PolarHBondContact O-N 3.35Å; Q1835-S1838 PolarHBondContact O-OG 3.22Å |
| 1836 | S | 76.1 | Confident | 81.7 | Confident | 34 Ų | 34 | 37.2 Ų | 37.2 | 24% | 0.238 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.5 | -33.5 | 174.1 | 57.7 | 0 | 0 | 0 | 0 | 113.2 | S1838 M1839 K1840 | S1836-S1838 VanDerWaalsContact C-N 3.27Å; S1836-S1838 PolarHBondContact O-N 2.76Å; S1836-M1839 PolarHBondContact O-N 3.3Å; S1836-K1840 PolarHBondContact O-N 3.46Å |
| 1837 | I | 80.7 | Confident | 82.4 | Confident | 84 Ų | 84 | 34 Ų | 34 | 43% | 0.431 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -66.2 | -29.7 | 177.3 | -162.6 | 169.2 | 0 | 0 | 0 | 112.2 | T1355 Q1835 K1840 S1841 | T1355-I1837 WeakPolarHBondContact O-CG2 3.47Å; Q1835-I1837 VanDerWaalsContact C-N 3.29Å; Q1835-I1837 HydrophobicContact CB-CG2 4Å; Q1835-I1837 PolarHBondContact O-N 2.99Å; I1837-K1840 WeakPolarHBondContact O-CB 3.5Å; I1837-K1840 PolarHBondContact O-N 3.21Å; I1837-S1841 WeakPolarHBondContact O-CB 3.42Å; I1837-S1841 PolarHBondContact O-N 3.12Å |
| 1838 | S | 83.8 | Confident | 82.9 | Confident | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.014 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.9 | -41.4 | 175.9 | -40.1 | 0 | 0 | 0 | 0 | 111.3 | T1355 Q1835 S1836 S1841 D1842 | T1355-S1838 PolarHBondContact O-OG 3.34Å; Q1835-S1838 WeakPolarHBondContact O-CB 3.47Å; Q1835-S1838 PolarHBondContact O-N 3.35Å; Q1835-S1838 PolarHBondContact O-OG 3.22Å; S1836-S1838 VanDerWaalsContact C-N 3.27Å; S1836-S1838 PolarHBondContact O-N 2.76Å; S1838-S1841 VanDerWaalsContact O-CB 3.29Å; S1838-S1841 WeakPolarHBondContact O-CB 3.39Å; S1838-S1841 PolarHBondContact O-N 2.97Å; S1838-D1842 PolarHBondContact O-N 3.4Å |
| 1839 | M | 86.4 | Confident | 83.3 | Confident | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.5 | -39.9 | 172.7 | -179.5 | -175.6 | 158.6 | 0 | 0 | 112 | L1783 I1787 I1824 L1828 Y1833 S1836 S1841 D1842 L1843 I1875 | L1783-M1839 HydrophobicContact CD1-SD 4.22Å; L1783-M1839 HydrophobicContact CD2-CE 4.49Å; I1787-M1839 HydrophobicContact CD1-CE 3.68Å; I1787-M1839 HydrophobicContact CG1-CE 4.05Å; I1824-M1839 HydrophobicContact CG2-CG 4.4Å; L1828-M1839 HydrophobicContact CD1-SD 4.43Å; Y1833-M1839 HydrophobicContact CD1-CB 4.16Å; Y1833-M1839 HydrophobicContact CD2-CB 4.07Å; Y1833-M1839 HydrophobicContact CD2-CG 4.38Å; Y1833-M1839 HydrophobicContact CE1-CB 4.25Å; Y1833-M1839 HydrophobicContact CE2-CB 4.15Å; Y1833-M1839 HydrophobicContact CE2-CG 4.13Å; Y1833-M1839 HydrophobicContact CG-CB 4.08Å; S1836-M1839 PolarHBondContact O-N 3.3Å; M1839-S1841 PolarHBondContact O-N 3.3Å; M1839-D1842 PolarHBondContact O-N 3.01Å; M1839-L1843 HydrophobicContact CE-CD1 4.13Å; M1839-L1843 PolarHBondContact O-N 2.89Å; M1839-L1843 VanDerWaalsContact O-N 3.1Å; M1839-I1875 HydrophobicContact CB-CD1 4.36Å; M1839-I1875 HydrophobicContact CE-CD1 3.98Å; M1839-I1875 HydrophobicContact CE-CG1 3.97Å; M1839-I1875 HydrophobicContact CG-CD1 4.02Å; M1839-I1875 HydrophobicContact SD-CD1 4.08Å; M1839-I1875 HydrophobicContact SD-CG1 4.17Å |
| 1840 | K | 88.8 | Confident | 84 | Confident | 64 Ų | 64 | 32.3 Ų | 32.3 | 28% | 0.278 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -60.6 | -32.3 | 173 | -177.4 | 170.1 | 175.1 | 169.6 | 0 | 112 | S1836 I1837 L1844 L1872 I1875 E1876 | S1836-K1840 PolarHBondContact O-N 3.46Å; I1837-K1840 WeakPolarHBondContact O-CB 3.5Å; I1837-K1840 PolarHBondContact O-N 3.21Å; K1840-L1844 WeakPolarHBondContact O-CB 3.47Å; K1840-L1844 PolarHBondContact O-N 2.84Å; K1840-L1872 HydrophobicContact CD-CD1 3.6Å; K1840-L1872 HydrophobicContact CG-CD1 4.03Å; K1840-I1875 HydrophobicContact CB-CD1 4.09Å; K1840-E1876 IonicContact NZ-OE1 2.68Å; K1840-E1876 PolarHBondContact NZ-OE1 3.02Å |
| 1841 | S | 87.6 | Confident | 85 | Confident | 40 Ų | 40 | 32.9 Ų | 32.9 | 28% | 0.28 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -69.7 | -44.6 | 176.5 | -158.5 | 0 | 0 | 0 | 0 | 112.8 | T1355 I1837 S1838 M1839 L1844 Q1845 | T1355-S1841 WeakPolarHBondContact OG1-CB 3.46Å; T1355-S1841 PolarHBondContact OG1-OG 2.93Å; T1355-S1841 VanDerWaalsContact OG1-OG 3.09Å; I1837-S1841 WeakPolarHBondContact O-CB 3.42Å; I1837-S1841 PolarHBondContact O-N 3.12Å; S1838-S1841 VanDerWaalsContact O-CB 3.29Å; S1838-S1841 WeakPolarHBondContact O-CB 3.39Å; S1838-S1841 PolarHBondContact O-N 2.97Å; M1839-S1841 PolarHBondContact O-N 3.3Å; S1841-L1844 PolarHBondContact O-N 3.38Å; S1841-Q1845 WeakPolarHBondContact O-CB 3.42Å; S1841-Q1845 PolarHBondContact O-N 3.04Å |
| 1842 | D | 90.3 | Very high | 85.8 | Confident | 11 Ų | 11 | 38.8 Ų | 38.8 | 6% | 0.059 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.8 | -41.6 | 175.5 | -77.9 | 5 | 0 | 0 | 0 | 111.3 | V1819 I1824 R1827 Y1833 S1838 M1839 L1844 Q1845 L1846 | V1819-D1842 HydrophobicContact CG1-CB 4.22Å; I1824-D1842 HydrophobicContact CD1-CB 4.11Å; I1824-D1842 HydrophobicContact CG1-CB 4.03Å; R1827-D1842 IonicContact CZ-OD2 3.79Å; R1827-D1842 IonicContact NH1-OD1 3.42Å; R1827-D1842 PolarHBondContact NH1-OD1 3.09Å; R1827-D1842 IonicContact NH1-OD2 3.47Å; R1827-D1842 PolarHBondContact NH1-OD2 3.45Å; Y1833-D1842 VanDerWaalsContact CE1-OD2 3.25Å; Y1833-D1842 WeakPolarHBondContact CE1-OD2 3.3Å; Y1833-D1842 VanDerWaalsContact CZ-OD2 3.32Å; Y1833-D1842 PolarHBondContact OH-OD2 3.02Å; S1838-D1842 PolarHBondContact O-N 3.4Å; M1839-D1842 PolarHBondContact O-N 3.01Å; D1842-L1844 VanDerWaalsContact C-N 3.32Å; D1842-L1844 PolarHBondContact O-N 2.87Å; D1842-Q1845 PolarHBondContact O-N 3.12Å; D1842-L1846 PolarHBondContact O-N 3.22Å |
| 1843 | L | 93.3 | Very high | 86.5 | Confident | 9 Ų | 9 | 36.4 Ų | 36.4 | 5% | 0.047 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.8 | -37 | 174.1 | -75.5 | 170.6 | 0 | 0 | 0 | 112.8 | L1821 I1824 M1839 L1847 Y1868 I1875 | L1821-L1843 HydrophobicContact CD2-CD2 4.49Å; I1824-L1843 HydrophobicContact CD1-CD2 3.75Å; I1824-L1843 HydrophobicContact CD1-CG 4.08Å; M1839-L1843 HydrophobicContact CE-CD1 4.13Å; M1839-L1843 PolarHBondContact O-N 2.89Å; M1839-L1843 VanDerWaalsContact O-N 3.1Å; L1843-L1847 PolarHBondContact O-N 3Å; L1843-Y1868 HydrophobicContact CB-CD2 4.22Å; L1843-I1875 HydrophobicContact CD1-CD1 3.86Å |
| 1844 | L | 91.8 | Very high | 87.1 | Confident | 65 Ų | 65 | 38.3 Ų | 38.3 | 34% | 0.34 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -70.4 | -38.1 | 174 | -177.5 | 62.3 | 0 | 0 | 0 | 111.5 | K1840 S1841 D1842 L1846 L1847 E1848 Y1868 | K1840-L1844 WeakPolarHBondContact O-CB 3.47Å; K1840-L1844 PolarHBondContact O-N 2.84Å; S1841-L1844 PolarHBondContact O-N 3.38Å; D1842-L1844 VanDerWaalsContact C-N 3.32Å; D1842-L1844 PolarHBondContact O-N 2.87Å; L1844-L1846 VanDerWaalsContact C-N 3.34Å; L1844-L1847 WeakPolarHBondContact O-CB 3.48Å; L1844-L1847 PolarHBondContact O-N 3.43Å; L1844-E1848 PolarHBondContact O-N 2.78Å; L1844-Y1868 HydrophobicContact CB-CE2 3.98Å; L1844-Y1868 HydrophobicContact CD1-CE2 4.02Å |
| 1845 | Q | 89.8 | Confident | 87.4 | Confident | 32 Ų | 32 | 44 Ų | 44 | 15% | 0.15 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.1 | -34.9 | 177.5 | -169.6 | 60.5 | 72.8 | 0 | 0 | 112 | Y1817 V1819 S1841 D1842 E1848 N1849 | Y1817-Q1845 HydrophobicContact CD1-CG 4.15Å; V1819-Q1845 HydrophobicContact CG2-CB 4.21Å; V1819-Q1845 HydrophobicContact CG2-CG 4.03Å; S1841-Q1845 WeakPolarHBondContact O-CB 3.42Å; S1841-Q1845 PolarHBondContact O-N 3.04Å; D1842-Q1845 PolarHBondContact O-N 3.12Å; Q1845-E1848 PolarHBondContact O-N 3.23Å; Q1845-N1849 PolarHBondContact NE2-OD1 3.09Å; Q1845-N1849 VanDerWaalsContact O-CB 3.23Å; Q1845-N1849 WeakPolarHBondContact O-CB 3.43Å; Q1845-N1849 PolarHBondContact O-N 2.91Å; Q1845-N1849 PolarHBondContact O-ND2 3.34Å; Q1845-N1849 PolarHBondContact O-OD1 3.29Å |
| 1846 | L | 93.1 | Very high | 87.8 | Confident | 6 Ų | 6 | 47.9 Ų | 47.9 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.3 | -48.8 | 169.7 | -172.1 | 159.7 | 0 | 0 | 0 | 110.5 | F1799 V1819 L1821 I1824 D1842 L1844 N1849 T1850 | F1799-L1846 HydrophobicContact CB-CD1 4.45Å; F1799-L1846 HydrophobicContact CD1-CD2 4.16Å; F1799-L1846 HydrophobicContact CG-CD2 4.29Å; V1819-L1846 HydrophobicContact CB-CB 4.28Å; V1819-L1846 HydrophobicContact CG1-CB 4.17Å; L1821-L1846 HydrophobicContact CD2-CD1 4.12Å; L1821-L1846 HydrophobicContact CG-CD1 4.31Å; I1824-L1846 HydrophobicContact CD1-CD1 4.34Å; D1842-L1846 PolarHBondContact O-N 3.22Å; L1844-L1846 VanDerWaalsContact C-N 3.34Å; L1846-N1849 PolarHBondContact O-N 3.48Å; L1846-T1850 HydrophobicContact CD2-CG2 4.48Å; L1846-T1850 WeakPolarHBondContact O-CG2 3.23Å; L1846-T1850 PolarHBondContact O-N 3.21Å; L1846-T1850 VanDerWaalsContact O-N 3.1Å |
| 1847 | L | 94 | Very high | 87.9 | Confident | 15 Ų | 15 | 49.8 Ų | 49.8 | 8% | 0.079 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.9 | -52.5 | 175.6 | 174.6 | 59 | 0 | 0 | 0 | 111.9 | L1843 L1844 N1849 T1850 E1851 A1864 Q1865 Y1868 | L1843-L1847 PolarHBondContact O-N 3Å; L1844-L1847 WeakPolarHBondContact O-CB 3.48Å; L1844-L1847 PolarHBondContact O-N 3.43Å; L1847-N1849 VanDerWaalsContact C-N 3.29Å; L1847-N1849 PolarHBondContact O-N 3.04Å; L1847-T1850 PolarHBondContact O-N 3.42Å; L1847-T1850 PolarHBondContact O-OG1 3.18Å; L1847-E1851 HydrophobicContact CD1-CG 4.03Å; L1847-E1851 PolarHBondContact O-N 2.8Å; L1847-A1864 HydrophobicContact CD1-CB 3.93Å; L1847-Q1865 HydrophobicContact CD1-CB 4.42Å; L1847-Q1865 HydrophobicContact CD1-CG 3.58Å; L1847-Q1865 HydrophobicContact CD2-CG 4.3Å; L1847-Y1868 HydrophobicContact CD2-CD1 3.88Å; L1847-Y1868 HydrophobicContact CD2-CG 3.89Å |
| 1848 | E | 89.7 | Confident | 88.1 | Confident | 70 Ų | 70 | 47.3 Ų | 47.3 | 33% | 0.327 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -57.5 | -40.3 | 178.5 | -78.5 | -161.4 | -147.7 | 0 | 0 | 112.3 | L1844 Q1845 T1850 E1851 R1852 | L1844-E1848 PolarHBondContact O-N 2.78Å; Q1845-E1848 PolarHBondContact O-N 3.23Å; E1848-T1850 VanDerWaalsContact C-N 3.32Å; E1848-T1850 PolarHBondContact O-N 2.98Å; E1848-E1851 PolarHBondContact O-N 3.09Å; E1848-R1852 WeakPolarHBondContact O-CB 3.4Å; E1848-R1852 WeakPolarHBondContact O-CD 3.43Å; E1848-R1852 WeakPolarHBondContact O-CG 3.22Å; E1848-R1852 PolarHBondContact O-N 2.89Å; E1848-R1852 IonicContact OE2-CZ 3.14Å; E1848-R1852 IonicContact OE2-NE 2.73Å; E1848-R1852 IonicContact OE2-NH2 3.46Å; E1848-R1852 PolarHBondContact OE2-NH2 2.86Å |
| 1849 | N | 90.1 | Very high | 88.1 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.7 | -41 | 176.2 | -73.8 | -11.5 | 0 | 0 | 0 | 111.6 | N1815 Y1817 Q1845 L1846 L1847 Y1853 | N1815-N1849 HydrophobicContact CB-CB 4.33Å; N1815-N1849 PolarHBondContact ND2-O 3.4Å; N1815-N1849 WeakPolarHBondContact OD1-CA 3.39Å; N1815-N1849 PolarHBondContact OD1-OD1 3.5Å; Y1817-N1849 PolarHBondContact O-ND2 2.95Å; Q1845-N1849 PolarHBondContact NE2-OD1 3.09Å; Q1845-N1849 VanDerWaalsContact O-CB 3.23Å; Q1845-N1849 WeakPolarHBondContact O-CB 3.43Å; Q1845-N1849 PolarHBondContact O-N 2.91Å; Q1845-N1849 PolarHBondContact O-ND2 3.34Å; Q1845-N1849 PolarHBondContact O-OD1 3.29Å; L1846-N1849 PolarHBondContact O-N 3.48Å; L1847-N1849 VanDerWaalsContact C-N 3.29Å; L1847-N1849 PolarHBondContact O-N 3.04Å; N1849-Y1853 WeakPolarHBondContact O-CB 3.49Å; N1849-Y1853 PolarHBondContact O-N 3.06Å |
| 1850 | T | 91.1 | Very high | 88.2 | Confident | 8 Ų | 8 | 53.4 Ų | 53.4 | 5% | 0.049 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -68.2 | -39.2 | 176.7 | 62.7 | 0 | 0 | 0 | 0 | 112.4 | F1799 L1846 L1847 E1848 N1854 A1864 | F1799-T1850 HydrophobicContact CD1-CG2 4.18Å; F1799-T1850 HydrophobicContact CE1-CG2 3.66Å; L1846-T1850 HydrophobicContact CD2-CG2 4.48Å; L1846-T1850 WeakPolarHBondContact O-CG2 3.23Å; L1846-T1850 PolarHBondContact O-N 3.21Å; L1846-T1850 VanDerWaalsContact O-N 3.1Å; L1847-T1850 PolarHBondContact O-N 3.42Å; L1847-T1850 PolarHBondContact O-OG1 3.18Å; E1848-T1850 VanDerWaalsContact C-N 3.32Å; E1848-T1850 PolarHBondContact O-N 2.98Å; T1850-N1854 VanDerWaalsContact O-CB 3.3Å; T1850-N1854 WeakPolarHBondContact O-CB 3.18Å; T1850-N1854 PolarHBondContact O-N 3.47Å; T1850-N1854 PolarHBondContact O-ND2 3.13Å; T1850-A1864 HydrophobicContact CG2-CB 4Å; T1850-A1864 WeakPolarHBondContact OG1-CB 3.32Å |
| 1851 | E | 89.7 | Confident | 88.3 | Confident | 81 Ų | 81 | 50.5 Ų | 50.5 | 38% | 0.379 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -73.8 | -24.4 | 177.9 | -72.3 | -172.6 | 168.5 | 0 | 0 | 113.9 | L1847 E1848 V1861 Q1865 | L1847-E1851 HydrophobicContact CD1-CG 4.03Å; L1847-E1851 PolarHBondContact O-N 2.8Å; E1848-E1851 PolarHBondContact O-N 3.09Å; E1851-V1861 HydrophobicContact CG-CG1 3.7Å; E1851-V1861 HydrophobicContact CG-CG2 4.26Å; E1851-Q1865 PolarHBondContact OE1-NE2 2.67Å |
| 1852 | R | 85.7 | Confident | 88.5 | Confident | 128 Ų | 128 | 52.8 Ų | 52.8 | 48% | 0.483 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -79.4 | -34 | 174.6 | -73 | 167.3 | -172.7 | -152 | 10.9 | 113.5 | I1814 N1815 E1848 | I1814-R1852 HydrophobicContact CG2-CB 3.99Å; N1815-R1852 WeakPolarHBondContact OD1-CB 3.48Å; N1815-R1852 WeakPolarHBondContact OD1-CD 3.42Å; E1848-R1852 WeakPolarHBondContact O-CB 3.4Å; E1848-R1852 WeakPolarHBondContact O-CD 3.43Å; E1848-R1852 WeakPolarHBondContact O-CG 3.22Å; E1848-R1852 PolarHBondContact O-N 2.89Å; E1848-R1852 IonicContact OE2-CZ 3.14Å; E1848-R1852 IonicContact OE2-NE 2.73Å; E1848-R1852 IonicContact OE2-NH2 3.46Å; E1848-R1852 PolarHBondContact OE2-NH2 2.86Å |
| 1853 | Y | 88.8 | Confident | 88.6 | Confident | 57 Ų | 57 | 53.7 Ų | 53.7 | 22% | 0.224 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -94.5 | -38.2 | -175.6 | -169.4 | -96.2 | 0 | 0 | 0 | 113.4 | Y1808 D1810 Y1811 I1814 N1849 | Y1808-Y1853 HydrophobicContact CD1-CE1 4.01Å; Y1808-Y1853 WeakPolarHBondContact CD1-OH 3.21Å; D1810-Y1853 WeakPolarHBondContact OD1-CE2 3.3Å; D1810-Y1853 PolarHBondContact OD1-OH 3.24Å; D1810-Y1853 PolarHBondContact OD2-OH 2.81Å; Y1811-Y1853 AromaticContact CD2-CD1 3.93Å; Y1811-Y1853 HydrophobicContact CD2-CD1 3.93Å; Y1811-Y1853 AromaticContact CD2-CD2 3.63Å; Y1811-Y1853 HydrophobicContact CD2-CD2 3.63Å; Y1811-Y1853 HydrophobicContact CD2-CE1 4.2Å; Y1811-Y1853 AromaticContact CD2-CE2 3.94Å; Y1811-Y1853 HydrophobicContact CD2-CE2 3.94Å; Y1811-Y1853 AromaticContact CD2-CG 3.65Å; Y1811-Y1853 HydrophobicContact CD2-CG 3.65Å; Y1811-Y1853 HydrophobicContact CE2-CD1 4.27Å; Y1811-Y1853 HydrophobicContact CE2-CD2 4.37Å; Y1811-Y1853 AromaticContact CE2-CG 4Å; Y1811-Y1853 HydrophobicContact CE2-CG 4Å; Y1811-Y1853 HydrophobicContact CG-CD2 4.31Å; Y1811-Y1853 HydrophobicContact CG-CE2 4.43Å; I1814-Y1853 HydrophobicContact CB-CD2 4.45Å; I1814-Y1853 HydrophobicContact CD1-CD2 3.77Å; I1814-Y1853 HydrophobicContact CD1-CE2 4.04Å; N1849-Y1853 WeakPolarHBondContact O-CB 3.49Å; N1849-Y1853 PolarHBondContact O-N 3.06Å |
| 1854 | N | 89.1 | Confident | 88.6 | Confident | 42 Ų | 42 | 53.2 Ų | 53.2 | 23% | 0.225 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -97 | 159.8 | -176.9 | -56.9 | -88 | 0 | 0 | 0 | 111.4 | T1850 V1861 | T1850-N1854 VanDerWaalsContact O-CB 3.3Å; T1850-N1854 WeakPolarHBondContact O-CB 3.18Å; T1850-N1854 PolarHBondContact O-N 3.47Å; T1850-N1854 PolarHBondContact O-ND2 3.13Å; N1854-V1861 HydrophobicContact CB-CG2 3.98Å |
| 1855 | L | 80.4 | Confident | 88.7 | Confident | 142 Ų | 142 | 53.3 Ų | 53.3 | 74% | 0.743 | 29% | 0.289 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 133.1 | 173.5 | -70.6 | 169.4 | 0 | 0 | 0 | 111 | S1858 | L1855-S1858 WeakPolarHBondContact O-CB 3.22Å; L1855-S1858 PolarHBondContact O-N 3.18Å; L1855-S1858 VanDerWaalsContact O-N 3.11Å; L1855-S1858 PolarHBondContact O-OG 2.86Å |
| 1856 | P | 82.9 | Confident | 88.8 | Confident | 113 Ų | 113 | 51.8 Ų | 51.8 | 73% | 0.734 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | 137.3 | 177 | 27 | -34.5 | 0 | 0 | 0 | 110.4 | S1858 | P1856-S1858 VanDerWaalsContact C-N 3.28Å; P1856-S1858 PolarHBondContact O-N 3.28Å |
| 1857 | G | 80 | Confident | 88.8 | Confident | 74 Ų | 74 | 51.6 Ų | 51.6 | 76% | 0.763 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.2 | 0.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 1858 | S | 83.6 | Confident | 88.9 | Confident | 32 Ų | 32 | 53.2 Ų | 53.2 | 22% | 0.224 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -62.3 | 154.6 | 166.3 | 62.2 | 0 | 0 | 0 | 0 | 111.6 | L1855 P1856 I1860 V1861 Y1862 | L1855-S1858 WeakPolarHBondContact O-CB 3.22Å; L1855-S1858 PolarHBondContact O-N 3.18Å; L1855-S1858 VanDerWaalsContact O-N 3.11Å; L1855-S1858 PolarHBondContact O-OG 2.86Å; P1856-S1858 VanDerWaalsContact C-N 3.28Å; P1856-S1858 PolarHBondContact O-N 3.28Å; S1858-I1860 PolarHBondContact O-N 3.01Å; S1858-V1861 PolarHBondContact O-N 3.13Å; S1858-V1861 VanDerWaalsContact O-N 3.13Å; S1858-V1861 WeakPolarHBondContact OG-CG2 3.34Å; S1858-V1861 PolarHBondContact OG-N 3.26Å; S1858-Y1862 PolarHBondContact O-N 3.14Å |
| 1859 | S | 83.6 | Confident | 89 | Confident | 83 Ų | 83 | 53.1 Ų | 53.1 | 58% | 0.58 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -58.6 | -32 | 176.7 | 50.3 | 0 | 0 | 0 | 0 | 112.8 | Y1862 N1863 | S1859-Y1862 PolarHBondContact O-N 3.27Å; S1859-N1863 VanDerWaalsContact O-CB 3.32Å; S1859-N1863 WeakPolarHBondContact O-CB 3.39Å; S1859-N1863 PolarHBondContact O-N 3.49Å; S1859-N1863 PolarHBondContact O-ND2 3.06Å; S1859-N1863 PolarHBondContact O-OD1 3.5Å |
| 1860 | I | 89.3 | Confident | 89.1 | Confident | 48 Ų | 48 | 53 Ų | 53 | 25% | 0.246 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.4 | -49.5 | 175.2 | -52.2 | -175.2 | 0 | 0 | 0 | 110.3 | F1799 S1858 Y1862 N1863 A1864 | F1799-I1860 HydrophobicContact CE1-CG2 4.02Å; F1799-I1860 HydrophobicContact CZ-CG2 4.08Å; S1858-I1860 PolarHBondContact O-N 3.01Å; I1860-Y1862 PolarHBondContact O-N 3.21Å; I1860-N1863 PolarHBondContact O-N 2.86Å; I1860-A1864 WeakPolarHBondContact O-CB 3.49Å; I1860-A1864 PolarHBondContact O-N 3.35Å |
| 1861 | V | 91.5 | Very high | 89 | Confident | 3 Ų | 3 | 52.8 Ų | 52.8 | 2% | 0.018 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.5 | -42.4 | 176.6 | 166.8 | 0 | 0 | 0 | 0 | 111.4 | E1851 N1854 S1858 N1863 A1864 Q1865 | E1851-V1861 HydrophobicContact CG-CG1 3.7Å; E1851-V1861 HydrophobicContact CG-CG2 4.26Å; N1854-V1861 HydrophobicContact CB-CG2 3.98Å; S1858-V1861 PolarHBondContact O-N 3.13Å; S1858-V1861 VanDerWaalsContact O-N 3.13Å; S1858-V1861 WeakPolarHBondContact OG-CG2 3.34Å; S1858-V1861 PolarHBondContact OG-N 3.26Å; V1861-N1863 PolarHBondContact O-N 3.11Å; V1861-A1864 PolarHBondContact O-N 2.83Å; V1861-Q1865 WeakPolarHBondContact O-CG 3.49Å; V1861-Q1865 PolarHBondContact O-N 3.25Å |
| 1862 | Y | 89.9 | Confident | 89 | Confident | 89 Ų | 89 | 50.4 Ų | 50.4 | 35% | 0.349 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.1 | -42.8 | 176.1 | 178.2 | -103.1 | 0 | 0 | 0 | 112.4 | S1858 S1859 I1860 Q1865 L1866 | S1858-Y1862 PolarHBondContact O-N 3.14Å; S1859-Y1862 PolarHBondContact O-N 3.27Å; I1860-Y1862 PolarHBondContact O-N 3.21Å; Y1862-Q1865 PolarHBondContact O-N 2.91Å; Y1862-L1866 HydrophobicContact CD1-CD1 4.1Å; Y1862-L1866 HydrophobicContact CE1-CD1 3.53Å; Y1862-L1866 HydrophobicContact CE1-CG 4.26Å; Y1862-L1866 PolarHBondContact O-N 3.14Å |
| 1863 | N | 94.3 | Very high | 89.1 | Confident | 29 Ų | 29 | 46.3 Ų | 46.3 | 16% | 0.155 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.6 | -42.2 | 174.8 | -72 | -9.3 | 0 | 0 | 0 | 111.6 | I1795 F1799 S1859 I1860 V1861 Q1865 L1866 V1867 | I1795-N1863 HydrophobicContact CB-CB 4.25Å; F1799-N1863 HydrophobicContact CE2-CB 3.94Å; F1799-N1863 HydrophobicContact CZ-CB 4.19Å; S1859-N1863 VanDerWaalsContact O-CB 3.32Å; S1859-N1863 WeakPolarHBondContact O-CB 3.39Å; S1859-N1863 PolarHBondContact O-N 3.49Å; S1859-N1863 PolarHBondContact O-ND2 3.06Å; S1859-N1863 PolarHBondContact O-OD1 3.5Å; I1860-N1863 PolarHBondContact O-N 2.86Å; V1861-N1863 PolarHBondContact O-N 3.11Å; N1863-Q1865 VanDerWaalsContact C-N 3.34Å; N1863-Q1865 PolarHBondContact O-N 3.01Å; N1863-L1866 WeakPolarHBondContact O-CB 3.45Å; N1863-L1866 PolarHBondContact O-N 3.3Å; N1863-L1866 VanDerWaalsContact O-N 3.14Å; N1863-V1867 WeakPolarHBondContact O-CG2 3.49Å; N1863-V1867 PolarHBondContact O-N 2.8Å |
| 1864 | A | 93.4 | Very high | 89 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.5 | -40.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | F1799 L1847 T1850 I1860 V1861 L1866 V1867 Y1868 | F1799-A1864 HydrophobicContact CE1-CB 4.14Å; F1799-A1864 HydrophobicContact CE2-CB 4.35Å; F1799-A1864 HydrophobicContact CZ-CB 3.77Å; L1847-A1864 HydrophobicContact CD1-CB 3.93Å; T1850-A1864 HydrophobicContact CG2-CB 4Å; T1850-A1864 WeakPolarHBondContact OG1-CB 3.32Å; I1860-A1864 WeakPolarHBondContact O-CB 3.49Å; I1860-A1864 PolarHBondContact O-N 3.35Å; V1861-A1864 PolarHBondContact O-N 2.83Å; A1864-L1866 VanDerWaalsContact C-N 3.34Å; A1864-L1866 PolarHBondContact O-N 2.77Å; A1864-V1867 PolarHBondContact O-N 3.47Å; A1864-Y1868 WeakPolarHBondContact O-CB 3.47Å; A1864-Y1868 PolarHBondContact O-N 3.01Å |
| 1865 | Q | 92.3 | Very high | 88.8 | Confident | 66 Ų | 66 | 42.7 Ų | 42.7 | 31% | 0.308 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.6 | -36.5 | 173.5 | -72 | -177.5 | 5.9 | 0 | 0 | 112.3 | L1847 E1851 V1861 Y1862 N1863 K1869 | L1847-Q1865 HydrophobicContact CD1-CB 4.42Å; L1847-Q1865 HydrophobicContact CD1-CG 3.58Å; L1847-Q1865 HydrophobicContact CD2-CG 4.3Å; E1851-Q1865 PolarHBondContact OE1-NE2 2.67Å; V1861-Q1865 WeakPolarHBondContact O-CG 3.49Å; V1861-Q1865 PolarHBondContact O-N 3.25Å; Y1862-Q1865 PolarHBondContact O-N 2.91Å; N1863-Q1865 VanDerWaalsContact C-N 3.34Å; N1863-Q1865 PolarHBondContact O-N 3.01Å; Q1865-K1869 WeakPolarHBondContact O-CB 3.42Å; Q1865-K1869 WeakPolarHBondContact O-CD 3.4Å; Q1865-K1869 WeakPolarHBondContact O-CG 3.28Å; Q1865-K1869 PolarHBondContact O-N 3Å |
| 1866 | L | 92.1 | Very high | 88.9 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.8 | -44.5 | 172.8 | -72.9 | 176 | 0 | 0 | 0 | 112.2 | I1795 Y1862 N1863 A1864 Y1868 K1869 L1870 L1891 I1892 | I1795-L1866 HydrophobicContact CD1-CB 3.72Å; I1795-L1866 HydrophobicContact CD1-CD1 4.29Å; Y1862-L1866 HydrophobicContact CD1-CD1 4.1Å; Y1862-L1866 HydrophobicContact CE1-CD1 3.53Å; Y1862-L1866 HydrophobicContact CE1-CG 4.26Å; Y1862-L1866 PolarHBondContact O-N 3.14Å; N1863-L1866 WeakPolarHBondContact O-CB 3.45Å; N1863-L1866 PolarHBondContact O-N 3.3Å; N1863-L1866 VanDerWaalsContact O-N 3.14Å; A1864-L1866 VanDerWaalsContact C-N 3.34Å; A1864-L1866 PolarHBondContact O-N 2.77Å; L1866-Y1868 PolarHBondContact O-N 3.37Å; L1866-K1869 HydrophobicContact CD2-CD 4.49Å; L1866-K1869 PolarHBondContact O-N 3.31Å; L1866-L1870 WeakPolarHBondContact O-CB 3.09Å; L1866-L1870 VanDerWaalsContact O-CG 3.29Å; L1866-L1870 WeakPolarHBondContact O-CG 3.48Å; L1866-L1870 PolarHBondContact O-N 2.9Å; L1866-L1891 HydrophobicContact CD2-CB 3.96Å; L1866-L1891 HydrophobicContact CD2-CD1 4.32Å; L1866-I1892 HydrophobicContact CD1-CG1 4.47Å |
| 1867 | V | 93.8 | Very high | 88.8 | Confident | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.012 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.9 | -44.5 | 175.4 | 169.2 | 0 | 0 | 0 | 0 | 110.9 | I1790 I1795 F1799 L1821 N1863 A1864 L1870 G1871 | I1790-V1867 HydrophobicContact CG2-CG1 4.2Å; I1790-V1867 HydrophobicContact CG2-CG2 4.42Å; I1795-V1867 HydrophobicContact CD1-CG2 4.14Å; F1799-V1867 HydrophobicContact CD2-CG2 4.02Å; F1799-V1867 HydrophobicContact CE2-CG2 4.23Å; L1821-V1867 HydrophobicContact CD1-CG1 4.4Å; L1821-V1867 HydrophobicContact CD2-CG1 4.09Å; N1863-V1867 WeakPolarHBondContact O-CG2 3.49Å; N1863-V1867 PolarHBondContact O-N 2.8Å; A1864-V1867 PolarHBondContact O-N 3.47Å; V1867-L1870 PolarHBondContact O-N 3.37Å; V1867-G1871 PolarHBondContact O-N 2.71Å |
| 1868 | Y | 94.8 | Very high | 88.6 | Confident | 48 Ų | 48 | 42.4 Ų | 42.4 | 19% | 0.188 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.9 | -48.6 | 174.1 | 174.1 | -102.3 | 0 | 0 | 0 | 112.2 | L1843 L1844 L1847 A1864 L1866 L1870 G1871 L1872 | L1843-Y1868 HydrophobicContact CB-CD2 4.22Å; L1844-Y1868 HydrophobicContact CB-CE2 3.98Å; L1844-Y1868 HydrophobicContact CD1-CE2 4.02Å; L1847-Y1868 HydrophobicContact CD2-CD1 3.88Å; L1847-Y1868 HydrophobicContact CD2-CG 3.89Å; A1864-Y1868 WeakPolarHBondContact O-CB 3.47Å; A1864-Y1868 PolarHBondContact O-N 3.01Å; L1866-Y1868 PolarHBondContact O-N 3.37Å; Y1868-L1870 VanDerWaalsContact C-N 3.26Å; Y1868-L1870 PolarHBondContact O-N 3.07Å; Y1868-G1871 PolarHBondContact O-N 2.79Å; Y1868-L1872 HydrophobicContact CE1-CD2 4.25Å; Y1868-L1872 WeakPolarHBondContact O-CB 2.94Å; Y1868-L1872 PolarHBondContact O-N 3.12Å |
| 1869 | K | 92.5 | Very high | 88.2 | Confident | 68 Ų | 68 | 41 Ų | 41 | 30% | 0.296 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -57.1 | -37.7 | 175.8 | -76.9 | 165.9 | 178.7 | 171.3 | 0 | 112.2 | Q1865 L1866 Y1873 L1891 D1895 | Q1865-K1869 WeakPolarHBondContact O-CB 3.42Å; Q1865-K1869 WeakPolarHBondContact O-CD 3.4Å; Q1865-K1869 WeakPolarHBondContact O-CG 3.28Å; Q1865-K1869 PolarHBondContact O-N 3Å; L1866-K1869 HydrophobicContact CD2-CD 4.49Å; L1866-K1869 PolarHBondContact O-N 3.31Å; K1869-Y1873 WeakPolarHBondContact O-CB 3.48Å; K1869-Y1873 PolarHBondContact O-N 3.4Å; K1869-Y1873 VanDerWaalsContact O-N 3.13Å; K1869-L1891 HydrophobicContact CB-CD1 3.9Å; K1869-L1891 HydrophobicContact CD-CD2 4.21Å; K1869-D1895 IonicContact NZ-OD2 3.59Å; K1869-D1895 PolarHBondContact NZ-OD2 2.9Å |
| 1870 | L | 91.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -74.9 | -47 | 178 | -72 | 170 | 0 | 0 | 0 | 112.5 | I1790 L1793 I1795 L1866 V1867 Y1868 L1872 Y1873 C1874 V1884 R1887 Y1888 L1891 | I1790-L1870 HydrophobicContact CD1-CB 3.91Å; I1790-L1870 HydrophobicContact CG1-CB 4.19Å; L1793-L1870 HydrophobicContact CD1-CD1 3.62Å; I1795-L1870 HydrophobicContact CD1-CD1 4.2Å; L1866-L1870 WeakPolarHBondContact O-CB 3.09Å; L1866-L1870 VanDerWaalsContact O-CG 3.29Å; L1866-L1870 WeakPolarHBondContact O-CG 3.48Å; L1866-L1870 PolarHBondContact O-N 2.9Å; V1867-L1870 PolarHBondContact O-N 3.37Å; Y1868-L1870 VanDerWaalsContact C-N 3.26Å; Y1868-L1870 PolarHBondContact O-N 3.07Å; L1870-L1872 VanDerWaalsContact C-N 3.3Å; L1870-L1872 PolarHBondContact O-N 3.49Å; L1870-Y1873 WeakPolarHBondContact O-CB 3.18Å; L1870-Y1873 PolarHBondContact O-N 2.99Å; L1870-C1874 PolarHBondContact O-N 2.69Å; L1870-C1874 PolarHBondContact O-SG 2.82Å; L1870-V1884 HydrophobicContact CD2-CG1 4.34Å; L1870-R1887 HydrophobicContact CD2-CB 4.06Å; L1870-R1887 HydrophobicContact CD2-CG 4.07Å; L1870-Y1888 HydrophobicContact CD1-CD2 4.07Å; L1870-Y1888 HydrophobicContact CD1-CG 4.43Å; L1870-L1891 HydrophobicContact CD2-CD1 3.97Å; L1870-L1891 HydrophobicContact CG-CD1 4.13Å |
| 1871 | G | 89.2 | Confident | 86.4 | Confident | 3 Ų | 3 | 40.2 Ų | 40.2 | 3% | 0.031 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.8 | -42.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V1867 Y1868 C1874 I1875 | V1867-G1871 PolarHBondContact O-N 2.71Å; Y1868-G1871 PolarHBondContact O-N 2.79Å; G1871-C1874 WeakPolarHBondContact O-CB 3.42Å; G1871-C1874 PolarHBondContact O-N 3.45Å; G1871-I1875 WeakPolarHBondContact O-CG1 3.5Å; G1871-I1875 PolarHBondContact O-N 3.25Å |
| 1872 | L | 89.8 | Confident | 85.5 | Confident | 31 Ų | 31 | 46.3 Ų | 46.3 | 16% | 0.162 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.8 | -45.3 | 174 | -174.8 | 62.4 | 0 | 0 | 0 | 112.4 | K1840 Y1868 L1870 C1874 I1875 E1876 | K1840-L1872 HydrophobicContact CD-CD1 3.6Å; K1840-L1872 HydrophobicContact CG-CD1 4.03Å; Y1868-L1872 HydrophobicContact CE1-CD2 4.25Å; Y1868-L1872 WeakPolarHBondContact O-CB 2.94Å; Y1868-L1872 PolarHBondContact O-N 3.12Å; L1870-L1872 VanDerWaalsContact C-N 3.3Å; L1870-L1872 PolarHBondContact O-N 3.49Å; L1872-C1874 VanDerWaalsContact C-N 3.25Å; L1872-C1874 PolarHBondContact O-N 2.84Å; L1872-I1875 PolarHBondContact O-N 3.3Å; L1872-E1876 HydrophobicContact CD1-CG 3.97Å; L1872-E1876 VanDerWaalsContact CD1-OE1 3.31Å; L1872-E1876 WeakPolarHBondContact CD1-OE1 3.23Å; L1872-E1876 HydrophobicContact CG-CG 4.42Å; L1872-E1876 PolarHBondContact O-N 2.92Å |
| 1873 | Y | 87.2 | Confident | 85.1 | Confident | 41 Ų | 41 | 45.7 Ų | 45.7 | 16% | 0.161 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.3 | -38.4 | 174.8 | 174.6 | -110.9 | 0 | 0 | 0 | 111.9 | K1869 L1870 N1877 V1879 E1883 R1887 | K1869-Y1873 WeakPolarHBondContact O-CB 3.48Å; K1869-Y1873 PolarHBondContact O-N 3.4Å; K1869-Y1873 VanDerWaalsContact O-N 3.13Å; L1870-Y1873 WeakPolarHBondContact O-CB 3.18Å; L1870-Y1873 PolarHBondContact O-N 2.99Å; Y1873-N1877 HydrophobicContact CD2-CB 4.33Å; Y1873-N1877 VanDerWaalsContact CD2-ND2 3.3Å; Y1873-N1877 WeakPolarHBondContact CD2-ND2 3.19Å; Y1873-N1877 HydrophobicContact CE2-CB 4.16Å; Y1873-N1877 VanDerWaalsContact O-CB 3.3Å; Y1873-N1877 WeakPolarHBondContact O-CB 3.24Å; Y1873-N1877 PolarHBondContact O-N 3.47Å; Y1873-N1877 VanDerWaalsContact O-N 3.11Å; Y1873-N1877 PolarHBondContact O-ND2 2.81Å; Y1873-V1879 HydrophobicContact CD1-CG2 4.26Å; Y1873-V1879 HydrophobicContact CE1-CB 4.43Å; Y1873-V1879 HydrophobicContact CE1-CG1 4.02Å; Y1873-V1879 HydrophobicContact CE1-CG2 3.62Å; Y1873-V1879 HydrophobicContact CE2-CG2 4.27Å; Y1873-E1883 HydrophobicContact CE1-CG 4.41Å; Y1873-E1883 WeakPolarHBondContact OH-CG 3.19Å; Y1873-R1887 HydrophobicContact CD1-CB 3.77Å; Y1873-R1887 HydrophobicContact CD1-CG 3.56Å; Y1873-R1887 HydrophobicContact CD2-CG 4.24Å; Y1873-R1887 HydrophobicContact CE1-CB 3.53Å; Y1873-R1887 HydrophobicContact CE1-CG 3.68Å; Y1873-R1887 HydrophobicContact CE2-CG 4.38Å; Y1873-R1887 HydrophobicContact CG-CG 3.84Å |
| 1874 | C | 87.7 | Confident | 84.7 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.014 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -69.9 | -33.6 | 177.3 | -61 | 0 | 0 | 0 | 0 | 113.3 | R1782 L1783 C1786 L1870 G1871 L1872 N1877 | R1782-C1874 VanDerWaalsContact CZ-O 3.29Å; R1782-C1874 PolarHBondContact NH1-O 2.76Å; R1782-C1874 PolarHBondContact NH2-O 3.11Å; L1783-C1874 HydrophobicContact CD2-CB 4.42Å; L1783-C1874 WeakPolarHBondContact CD2-O 3.38Å; C1786-C1874 HydrophobicContact CB-CB 3.68Å; L1870-C1874 PolarHBondContact O-N 2.69Å; L1870-C1874 PolarHBondContact O-SG 2.82Å; G1871-C1874 WeakPolarHBondContact O-CB 3.42Å; G1871-C1874 PolarHBondContact O-N 3.45Å; L1872-C1874 VanDerWaalsContact C-N 3.25Å; L1872-C1874 PolarHBondContact O-N 2.84Å; C1874-N1877 VanDerWaalsContact O-O 3.07Å |
| 1875 | I | 84.8 | Confident | 84.3 | Confident | 21 Ų | 21 | 47.7 Ų | 47.7 | 11% | 0.108 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -72.8 | -49.8 | 174.4 | -64.6 | 169.5 | 0 | 0 | 0 | 110.8 | L1783 M1839 K1840 L1843 G1871 L1872 N1877 | L1783-I1875 HydrophobicContact CD2-CG1 4.21Å; M1839-I1875 HydrophobicContact CB-CD1 4.36Å; M1839-I1875 HydrophobicContact CE-CD1 3.98Å; M1839-I1875 HydrophobicContact CE-CG1 3.97Å; M1839-I1875 HydrophobicContact CG-CD1 4.02Å; M1839-I1875 HydrophobicContact SD-CD1 4.08Å; M1839-I1875 HydrophobicContact SD-CG1 4.17Å; K1840-I1875 HydrophobicContact CB-CD1 4.09Å; L1843-I1875 HydrophobicContact CD1-CD1 3.86Å; G1871-I1875 WeakPolarHBondContact O-CG1 3.5Å; G1871-I1875 PolarHBondContact O-N 3.25Å; L1872-I1875 PolarHBondContact O-N 3.3Å; I1875-N1877 VanDerWaalsContact C-N 3.33Å; I1875-N1877 PolarHBondContact O-N 3.49Å |
| 1876 | E | 82.8 | Confident | 83.9 | Confident | 116 Ų | 116 | 52.9 Ų | 52.9 | 54% | 0.542 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -80.5 | -10.6 | -170.5 | -66 | -178.2 | 166.4 | 0 | 0 | 113.9 | K1840 L1872 | K1840-E1876 IonicContact NZ-OE1 2.68Å; K1840-E1876 PolarHBondContact NZ-OE1 3.02Å; L1872-E1876 HydrophobicContact CD1-CG 3.97Å; L1872-E1876 VanDerWaalsContact CD1-OE1 3.31Å; L1872-E1876 WeakPolarHBondContact CD1-OE1 3.23Å; L1872-E1876 HydrophobicContact CG-CG 4.42Å; L1872-E1876 PolarHBondContact O-N 2.92Å |
| 1877 | N | 79.6 | Confident | 83.6 | Confident | 71 Ų | 71 | 56.6 Ų | 56.6 | 38% | 0.38 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -131.6 | 138.1 | -178.6 | -53.6 | -103.3 | 0 | 0 | 0 | 109.9 | R1782 Y1873 C1874 I1875 V1879 | R1782-N1877 PolarHBondContact NH1-O 3.32Å; R1782-N1877 PolarHBondContact NH2-O 2.81Å; Y1873-N1877 HydrophobicContact CD2-CB 4.33Å; Y1873-N1877 VanDerWaalsContact CD2-ND2 3.3Å; Y1873-N1877 WeakPolarHBondContact CD2-ND2 3.19Å; Y1873-N1877 HydrophobicContact CE2-CB 4.16Å; Y1873-N1877 VanDerWaalsContact O-CB 3.3Å; Y1873-N1877 WeakPolarHBondContact O-CB 3.24Å; Y1873-N1877 PolarHBondContact O-N 3.47Å; Y1873-N1877 VanDerWaalsContact O-N 3.11Å; Y1873-N1877 PolarHBondContact O-ND2 2.81Å; C1874-N1877 VanDerWaalsContact O-O 3.07Å; I1875-N1877 VanDerWaalsContact C-N 3.33Å; I1875-N1877 PolarHBondContact O-N 3.49Å; N1877-V1879 HydrophobicContact CB-CG2 3.6Å; N1877-V1879 PolarHBondContact O-N 3.28Å |
| 1878 | N | 76.3 | Confident | 83.2 | Confident | 136 Ų | 136 | 58 Ų | 58 | 73% | 0.727 | 27% | 0.274 | S | S | * | . | trans | -75.3 | 72.3 | 177.6 | -170.8 | 5.5 | 0 | 0 | 0 | 111 | R1782 | R1782-N1878 WeakPolarHBondContact CD-OD1 3.24Š| ||
| 1879 | V | 76 | Confident | 82.9 | Confident | 3 Ų | 3 | 61.8 Ų | 61.8 | 2% | 0.018 | 29% | 0.292 | C | S | . | . | trans | -99.8 | 140.1 | -169.5 | 163.3 | 0 | 0 | 0 | 0 | 110.8 | R1782 Y1873 N1877 E1883 V1884 | R1782-V1879 WeakPolarHBondContact CG-O 3.35Å; R1782-V1879 VanDerWaalsContact NH1-N 3.17Å; R1782-V1879 PolarHBondContact NH1-O 3.23Å; Y1873-V1879 HydrophobicContact CD1-CG2 4.26Å; Y1873-V1879 HydrophobicContact CE1-CB 4.43Å; Y1873-V1879 HydrophobicContact CE1-CG1 4.02Å; Y1873-V1879 HydrophobicContact CE1-CG2 3.62Å; Y1873-V1879 HydrophobicContact CE2-CG2 4.27Å; N1877-V1879 HydrophobicContact CB-CG2 3.6Å; N1877-V1879 PolarHBondContact O-N 3.28Å; V1879-E1883 HydrophobicContact CG1-CB 4.07Å; V1879-E1883 HydrophobicContact CG1-CG 4.26Å; V1879-V1884 HydrophobicContact CG1-CG2 3.98Å | ||
| 1880 | N | 71.6 | Confident | 82.4 | Confident | 114 Ų | 114 | 62.8 Ų | 62.8 | 61% | 0.61 | 30% | 0.299 | S | S | * | . | trans | -94.7 | 158.9 | 170.3 | -66 | -18.2 | 0 | 0 | 0 | 110.9 | D1882 E1883 | N1880-D1882 PolarHBondContact O-N 2.75Å; N1880-D1882 VanDerWaalsContact O-N 3.17Å; N1880-E1883 PolarHBondContact O-N 2.77Å | ||
| 1881 | G | 64.1 | Low | 82 | Confident | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -50.5 | -45.2 | -171.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | E1785 E1883 V1884 | E1785-G1881 PolarHBondContact OE1-N 3.12Å; G1881-E1883 PolarHBondContact O-N 2.88Å; G1881-E1883 VanDerWaalsContact O-N 3.13Å; G1881-V1884 WeakPolarHBondContact O-CB 3.4Å; G1881-V1884 WeakPolarHBondContact O-CG2 3.37Å; G1881-V1884 PolarHBondContact O-N 3.02Å |
| 1882 | D | 72.5 | Confident | 81.5 | Confident | 131 Ų | 131 | 66.1 Ų | 66.1 | 70% | 0.701 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -57.3 | -28.3 | -179.8 | -75.6 | -20.9 | 0 | 0 | 0 | 114.4 | N1880 | N1880-D1882 PolarHBondContact O-N 2.75Å; N1880-D1882 VanDerWaalsContact O-N 3.17Å |
| 1883 | E | 81.4 | Confident | 80.6 | Confident | 76 Ų | 76 | 68.4 Ų | 68.4 | 36% | 0.355 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -84.8 | -20.3 | -175.1 | 176.8 | 158.2 | -118.4 | 0 | 0 | 112.6 | Y1873 V1879 N1880 G1881 L1885 R1886 R1887 | Y1873-E1883 HydrophobicContact CE1-CG 4.41Å; Y1873-E1883 WeakPolarHBondContact OH-CG 3.19Å; V1879-E1883 HydrophobicContact CG1-CB 4.07Å; V1879-E1883 HydrophobicContact CG1-CG 4.26Å; N1880-E1883 PolarHBondContact O-N 2.77Å; G1881-E1883 PolarHBondContact O-N 2.88Å; G1881-E1883 VanDerWaalsContact O-N 3.13Å; E1883-L1885 VanDerWaalsContact C-N 3.32Å; E1883-L1885 PolarHBondContact O-N 3.45Å; E1883-R1886 WeakPolarHBondContact O-CB 3.36Å; E1883-R1886 PolarHBondContact O-N 2.84Å; E1883-R1887 PolarHBondContact O-N 3.29Å |
| 1884 | V | 84.8 | Confident | 79.3 | Confident | 1 Ų | 1 | 70 Ų | 70 | 1% | 0.006 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -57.3 | -46.6 | 167.7 | -174.7 | 0 | 0 | 0 | 0 | 110.4 | C1786 I1790 L1870 V1879 G1881 R1886 R1887 Y1888 | C1786-V1884 HydrophobicContact CB-CG2 4.5Å; I1790-V1884 HydrophobicContact CG1-CG1 3.72Å; L1870-V1884 HydrophobicContact CD2-CG1 4.34Å; V1879-V1884 HydrophobicContact CG1-CG2 3.98Å; G1881-V1884 WeakPolarHBondContact O-CB 3.4Å; G1881-V1884 WeakPolarHBondContact O-CG2 3.37Å; G1881-V1884 PolarHBondContact O-N 3.02Å; V1884-R1886 VanDerWaalsContact C-N 3.31Å; V1884-R1886 PolarHBondContact O-N 2.92Å; V1884-R1887 PolarHBondContact O-N 3.48Å; V1884-R1887 VanDerWaalsContact O-N 3.16Å; V1884-Y1888 PolarHBondContact O-N 2.75Å |
| 1885 | L | 84.4 | Confident | 77.3 | Confident | 69 Ų | 69 | 73.2 Ų | 73.2 | 36% | 0.361 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.4 | -31.9 | 178.1 | -177.8 | 62.7 | 0 | 0 | 0 | 112.6 | L1793 E1883 Y1888 K1889 | L1793-L1885 HydrophobicContact CD2-CD1 3.79Å; E1883-L1885 VanDerWaalsContact C-N 3.32Å; E1883-L1885 PolarHBondContact O-N 3.45Å; L1885-Y1888 HydrophobicContact CD1-CD1 4.21Å; L1885-K1889 WeakPolarHBondContact O-CG 3.41Å; L1885-K1889 PolarHBondContact O-N 2.71Å |
| 1886 | R | 84.5 | Confident | 75 | Confident | 176 Ų | 176 | 77.4 Ų | 77.4 | 66% | 0.664 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -68.4 | -44.7 | 171.1 | -70.3 | -176.4 | 179.3 | 156.6 | 3 | 111.4 | E1883 V1884 Y1888 K1889 L1890 | E1883-R1886 WeakPolarHBondContact O-CB 3.36Å; E1883-R1886 PolarHBondContact O-N 2.84Å; V1884-R1886 VanDerWaalsContact C-N 3.31Å; V1884-R1886 PolarHBondContact O-N 2.92Å; R1886-Y1888 VanDerWaalsContact C-N 3.35Å; R1886-Y1888 PolarHBondContact O-N 3.1Å; R1886-K1889 PolarHBondContact O-N 3.09Å; R1886-L1890 WeakPolarHBondContact O-CB 3.19Å; R1886-L1890 PolarHBondContact O-N 3.46Å |
| 1887 | R | 85.6 | Confident | 72.3 | Confident | 79 Ų | 79 | 77.9 Ų | 77.9 | 30% | 0.298 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.2 | -39.8 | 179.9 | -170.7 | 68.6 | 175.7 | 105.3 | -4.1 | 111.9 | L1870 Y1873 E1883 V1884 L1890 L1891 | L1870-R1887 HydrophobicContact CD2-CB 4.06Å; L1870-R1887 HydrophobicContact CD2-CG 4.07Å; Y1873-R1887 HydrophobicContact CD1-CB 3.77Å; Y1873-R1887 HydrophobicContact CD1-CG 3.56Å; Y1873-R1887 HydrophobicContact CD2-CG 4.24Å; Y1873-R1887 HydrophobicContact CE1-CB 3.53Å; Y1873-R1887 HydrophobicContact CE1-CG 3.68Å; Y1873-R1887 HydrophobicContact CE2-CG 4.38Å; Y1873-R1887 HydrophobicContact CG-CG 3.84Å; E1883-R1887 PolarHBondContact O-N 3.29Å; V1884-R1887 PolarHBondContact O-N 3.48Å; V1884-R1887 VanDerWaalsContact O-N 3.16Å; R1887-L1890 PolarHBondContact O-N 2.91Å; R1887-L1891 HydrophobicContact CG-CD1 4.36Å; R1887-L1891 VanDerWaalsContact NH1-CD2 3.32Å; R1887-L1891 WeakPolarHBondContact O-CG 3.25Å; R1887-L1891 PolarHBondContact O-N 2.98Å |
| 1888 | Y | 86.4 | Confident | 69.7 | Low | 30 Ų | 30 | 79.6 Ų | 79.6 | 12% | 0.118 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -57.9 | -52.3 | 173.7 | 170.2 | -120.9 | 0 | 0 | 0 | 112 | L1793 I1795 L1870 V1884 L1885 R1886 L1890 L1891 I1892 | L1793-Y1888 HydrophobicContact CD1-CD1 4.18Å; L1793-Y1888 HydrophobicContact CD1-CD2 4.12Å; L1793-Y1888 HydrophobicContact CD1-CG 3.88Å; L1793-Y1888 HydrophobicContact CD2-CD1 3.83Å; L1793-Y1888 HydrophobicContact CD2-CE1 4.11Å; L1793-Y1888 HydrophobicContact CD2-CG 4.36Å; I1795-Y1888 HydrophobicContact CD1-CD2 3.89Å; I1795-Y1888 HydrophobicContact CD1-CE2 3.5Å; I1795-Y1888 VanDerWaalsContact CD1-CE2 3.5Å; I1795-Y1888 HydrophobicContact CG1-CD2 4.46Å; I1795-Y1888 HydrophobicContact CG1-CE2 3.73Å; I1795-Y1888 HydrophobicContact CG2-CE2 4.02Å; I1795-Y1888 WeakPolarHBondContact CG2-OH 3.29Å; L1870-Y1888 HydrophobicContact CD1-CD2 4.07Å; L1870-Y1888 HydrophobicContact CD1-CG 4.43Å; V1884-Y1888 PolarHBondContact O-N 2.75Å; L1885-Y1888 HydrophobicContact CD1-CD1 4.21Å; R1886-Y1888 VanDerWaalsContact C-N 3.35Å; R1886-Y1888 PolarHBondContact O-N 3.1Å; Y1888-L1890 VanDerWaalsContact C-N 3.26Å; Y1888-L1890 PolarHBondContact O-N 2.76Å; Y1888-L1891 PolarHBondContact O-N 3.26Å; Y1888-I1892 HydrophobicContact CD2-CD1 4.02Å; Y1888-I1892 HydrophobicContact CD2-CG1 4.49Å; Y1888-I1892 HydrophobicContact CE1-CD1 4.07Å; Y1888-I1892 HydrophobicContact CE2-CD1 3.38Å; Y1888-I1892 HydrophobicContact CE2-CG1 4.17Å; Y1888-I1892 VanDerWaalsContact CZ-CD1 3.42Å; Y1888-I1892 PolarHBondContact O-N 2.94Å |
| 1889 | K | 86.9 | Confident | 67.2 | Low | 129 Ų | 129 | 78.7 Ų | 78.7 | 56% | 0.561 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -59.2 | -37.2 | 175.8 | -71.9 | 171.3 | -179.5 | 175.4 | 0 | 112.2 | L1885 R1886 S1893 | L1885-K1889 WeakPolarHBondContact O-CG 3.41Å; L1885-K1889 PolarHBondContact O-N 2.71Å; R1886-K1889 PolarHBondContact O-N 3.09Å; K1889-S1893 PolarHBondContact O-N 2.79Å |
| 1890 | L | 83.5 | Confident | 64.7 | Low | 88 Ų | 88 | 86 Ų | 86 | 46% | 0.461 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -70.2 | -42.2 | 176.7 | -165.7 | 145.5 | 0 | 0 | 0 | 112.2 | R1886 R1887 Y1888 I1892 S1893 T1894 | R1886-L1890 WeakPolarHBondContact O-CB 3.19Å; R1886-L1890 PolarHBondContact O-N 3.46Å; R1887-L1890 PolarHBondContact O-N 2.91Å; Y1888-L1890 VanDerWaalsContact C-N 3.26Å; Y1888-L1890 PolarHBondContact O-N 2.76Å; L1890-I1892 PolarHBondContact O-N 3.5Å; L1890-S1893 WeakPolarHBondContact CA-OG 3.47Å; L1890-S1893 CarbonylContact O-C 3.55Å; L1890-S1893 WeakPolarHBondContact O-CA 3.25Å; L1890-S1893 PolarHBondContact O-N 3.24Å; L1890-S1893 PolarHBondContact O-OG 3Å; L1890-T1894 HydrophobicContact CD2-CG2 3.71Å; L1890-T1894 HydrophobicContact CG-CG2 4.42Å; L1890-T1894 WeakPolarHBondContact O-CG2 3.31Å; L1890-T1894 PolarHBondContact O-N 3.28Å; L1890-T1894 PolarHBondContact O-OG1 3.06Å |
| 1891 | L | 83 | Confident | 62.4 | Low | 8 Ų | 8 | 87.6 Ų | 87.6 | 4% | 0.042 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -59.3 | -46.2 | 176.1 | -76.7 | 170.8 | 0 | 0 | 0 | 112 | L1866 K1869 L1870 R1887 Y1888 S1893 T1894 D1895 | L1866-L1891 HydrophobicContact CD2-CB 3.96Å; L1866-L1891 HydrophobicContact CD2-CD1 4.32Å; K1869-L1891 HydrophobicContact CB-CD1 3.9Å; K1869-L1891 HydrophobicContact CD-CD2 4.21Å; L1870-L1891 HydrophobicContact CD2-CD1 3.97Å; L1870-L1891 HydrophobicContact CG-CD1 4.13Å; R1887-L1891 HydrophobicContact CG-CD1 4.36Å; R1887-L1891 VanDerWaalsContact NH1-CD2 3.32Å; R1887-L1891 WeakPolarHBondContact O-CG 3.25Å; R1887-L1891 PolarHBondContact O-N 2.98Å; Y1888-L1891 PolarHBondContact O-N 3.26Å; L1891-S1893 PolarHBondContact O-N 3.03Å; L1891-T1894 PolarHBondContact O-N 3.4Å; L1891-T1894 VanDerWaalsContact O-N 3.14Å; L1891-T1894 PolarHBondContact O-OG1 3.39Å; L1891-D1895 PolarHBondContact O-N 2.77Å; L1891-D1895 VanDerWaalsContact O-N 3.1Å |
| 1892 | I | 79.3 | Confident | 60.3 | Low | 66 Ų | 66 | 94.6 Ų | 94.6 | 34% | 0.338 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.4 | -35 | 174 | -72.8 | 176.1 | 0 | 0 | 0 | 111.4 | L1866 Y1888 L1890 I1896 | L1866-I1892 HydrophobicContact CD1-CG1 4.47Å; Y1888-I1892 HydrophobicContact CD2-CD1 4.02Å; Y1888-I1892 HydrophobicContact CD2-CG1 4.49Å; Y1888-I1892 HydrophobicContact CE1-CD1 4.07Å; Y1888-I1892 HydrophobicContact CE2-CD1 3.38Å; Y1888-I1892 HydrophobicContact CE2-CG1 4.17Å; Y1888-I1892 VanDerWaalsContact CZ-CD1 3.42Å; Y1888-I1892 PolarHBondContact O-N 2.94Å; L1890-I1892 PolarHBondContact O-N 3.5Å; I1892-I1896 WeakPolarHBondContact O-CD1 3.5Å; I1892-I1896 WeakPolarHBondContact O-CG1 3.36Å |
| 1893 | S | 70.8 | Confident | 57.9 | Low | 78 Ų | 78 | 94.8 Ų | 94.8 | 55% | 0.545 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -78.1 | -21.5 | 177.1 | 74.1 | 0 | 0 | 0 | 0 | 114.9 | K1889 L1890 L1891 | K1889-S1893 PolarHBondContact O-N 2.79Å; L1890-S1893 WeakPolarHBondContact CA-OG 3.47Å; L1890-S1893 CarbonylContact O-C 3.55Å; L1890-S1893 WeakPolarHBondContact O-CA 3.25Å; L1890-S1893 PolarHBondContact O-N 3.24Å; L1890-S1893 PolarHBondContact O-OG 3Å; L1891-S1893 PolarHBondContact O-N 3.03Å |
| 1894 | T | 59.2 | Low | 55.1 | Low | 76 Ų | 76 | 96 Ų | 96 | 47% | 0.466 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -94.1 | -31.1 | -177 | 53 | 0 | 0 | 0 | 0 | 114.1 | L1890 L1891 I1896 | L1890-T1894 HydrophobicContact CD2-CG2 3.71Å; L1890-T1894 HydrophobicContact CG-CG2 4.42Å; L1890-T1894 WeakPolarHBondContact O-CG2 3.31Å; L1890-T1894 PolarHBondContact O-N 3.28Å; L1890-T1894 PolarHBondContact O-OG1 3.06Å; L1891-T1894 PolarHBondContact O-N 3.4Å; L1891-T1894 VanDerWaalsContact O-N 3.14Å; L1891-T1894 PolarHBondContact O-OG1 3.39Å; T1894-I1896 PolarHBondContact O-N 3.16Å |
| 1895 | D | 46.4 | Very low | 52 | Low | 68 Ų | 68 | 101.8 Ų | 101.8 | 36% | 0.364 | 55% | 0.547 | S | S | . | . | S | Bend | trans | -86.1 | 12.7 | -175.8 | -67.7 | -2.1 | 0 | 0 | 0 | 112.6 | K1869 L1891 P1897 | K1869-D1895 IonicContact NZ-OD2 3.59Å; K1869-D1895 PolarHBondContact NZ-OD2 2.9Å; L1891-D1895 PolarHBondContact O-N 2.77Å; L1891-D1895 VanDerWaalsContact O-N 3.1Å; D1895-P1897 WeakPolarHBondContact O-CD 3.49Å |
| 1896 | I | 36 | Very low | 48.9 | Very low | 110 Ų | 110 | 101.9 Ų | 101.9 | 56% | 0.564 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -89.2 | 110.2 | 168.4 | -60.1 | 170.8 | 0 | 0 | 0 | 109 | I1892 T1894 S1898 | I1892-I1896 WeakPolarHBondContact O-CD1 3.5Å; I1892-I1896 WeakPolarHBondContact O-CG1 3.36Å; T1894-I1896 PolarHBondContact O-N 3.16Å; I1896-S1898 PolarHBondContact O-N 3.35Å |
| 1897 | P | 26.1 | Very low | 45.9 | Very low | 125 Ų | 125 | 98.7 Ų | 98.7 | 81% | 0.812 | 54% | 0.541 | S | S | * | . | trans | -70 | 117.3 | -179.6 | 28.4 | -33.9 | 0 | 0 | 0 | 110.9 | D1895 | D1895-P1897 WeakPolarHBondContact O-CD 3.49Š| ||
| 1898 | S | 24.4 | Very low | 42.8 | Very low | 108 Ų | 108 | 99 Ų | 99 | 76% | 0.755 | 55% | 0.552 | S | S | * | * | trans | -120.6 | 120.5 | 175.2 | 38.5 | 0 | 0 | 0 | 0 | 110.4 | I1896 | I1896-S1898 PolarHBondContact O-N 3.35Š| ||
| 1899 | P | 24.2 | Very low | 39.7 | Very low | 117 Ų | 117 | 101.9 Ų | 101.9 | 76% | 0.76 | 58% | 0.582 | S | S | * | * | trans | -82.1 | 138.2 | -176.1 | 31.4 | -33.9 | 0 | 0 | 0 | 112.6 | ||||
| 1900 | N | 22.7 | Very low | 36.5 | Very low | 155 Ų | 155 | 102 Ų | 102 | 83% | 0.829 | 59% | 0.594 | S | S | * | * | trans | 30.2 | 118.5 | 156.4 | -55 | -29.7 | 0 | 0 | 0 | 117.7 | ||||
| 1901 | L | 24.2 | Very low | 33.5 | Very low | 149 Ų | 149 | 103.6 Ų | 103.6 | 78% | 0.78 | 61% | 0.607 | S | S | * | * | -172.6 | 131.5 | 76.6 | -165.3 | 72.5 | 0 | 0 | 0 | 113.6 | |||||
| 1902 | E | 20.6 | Very low | 30.5 | Very low | 147 Ų | 147 | 107.9 Ų | 107.9 | 69% | 0.687 | 64% | 0.638 | S | S | * | * | trans | 11.7 | 129.9 | 149.7 | -44.4 | 170.4 | 170.4 | 0 | 0 | 123.1 | ||||
| 1903 | N | 22.6 | Very low | 27.7 | Very low | 136 Ų | 136 | 109.5 Ų | 109.5 | 73% | 0.727 | 66% | 0.655 | S | S | * | * | 155.9 | 139.5 | 105.2 | -86.8 | -62.9 | 0 | 0 | 0 | 117.8 | |||||
| 1904 | S | 20.7 | Very low | 25.4 | Very low | 100 Ų | 100 | 112.5 Ų | 112.5 | 70% | 0.699 | 67% | 0.665 | S | S | * | * | trans | 76.5 | 83.3 | 147.8 | 62.6 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 1905 | D | 20.6 | Very low | 23.5 | Very low | 123 Ų | 123 | 113.7 Ų | 113.7 | 66% | 0.658 | 68% | 0.676 | S | S | * | * | 53.9 | 149.7 | 111.6 | -59 | 3.8 | 0 | 0 | 0 | 126.6 | |||||
| 1906 | Q | 20 | Very low | 22.2 | Very low | 71 Ų | 71 | 119.8 Ų | 119.8 | 33% | 0.332 | 70% | 0.7 | S | S | . | * | trans | 79.5 | 112.3 | 159 | -37.7 | -153.1 | 29.5 | 0 | 0 | 118.7 | Y1931 V1933 | Q1906-Y1931 HydrophobicContact CB-CD1 3.77Å; Q1906-Y1931 HydrophobicContact CB-CE1 4.29Å; Q1906-Y1931 HydrophobicContact CB-CG 4.01Å; Q1906-Y1931 HydrophobicContact CG-CD1 3.81Å; Q1906-Y1931 HydrophobicContact CG-CE1 4.1Å; Q1906-Y1931 VanDerWaalsContact OE1-CD1 3.28Å; Q1906-V1933 VanDerWaalsContact CD-CG2 3.46Å; Q1906-V1933 HydrophobicContact CG-CG2 3.89Å | ||
| 1907 | I | 21.4 | Very low | 21.5 | Very low | 109 Ų | 109 | 120.9 Ų | 120.9 | 56% | 0.559 | 71% | 0.707 | S | S | * | * | cis | 109.3 | 152.3 | 23.8 | -59.5 | 157.8 | 0 | 0 | 0 | 112.4 | Y1931 H1932 | I1907-Y1931 CarbonylContact O-C 3.57Å; I1907-Y1931 VanDerWaalsContact O-C 3.26Å; I1907-H1932 WeakPolarHBondContact CB-O 3.49Å; I1907-H1932 WeakPolarHBondContact CG2-O 3.37Å; I1907-H1932 PolarHBondContact O-N 3.04Å | ||
| 1908 | T | 19.8 | Very low | 21.3 | Very low | 86 Ų | 86 | 122.8 Ų | 122.8 | 53% | 0.528 | 70% | 0.704 | S | S | . | * | trans | 77.3 | 132.5 | -174.3 | 68.1 | 0 | 0 | 0 | 0 | 116.3 | H1932 | T1908-H1932 HydrophobicContact CG2-CB 3.42Å; T1908-H1932 VanDerWaalsContact CG2-CB 3.42Å | ||
| 1909 | A | 21.4 | Very low | 21.1 | Very low | 91 Ų | 91 | 124.3 Ų | 124.3 | 75% | 0.752 | 70% | 0.704 | S | S | * | * | cis | 84.3 | 108.7 | -2.3 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1910 | T | 20.4 | Very low | 20.9 | Very low | 132 Ų | 132 | 127 Ų | 127 | 81% | 0.81 | 71% | 0.711 | S | S | * | * | trans | -169.8 | 133.7 | 140 | 33.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1911 | T | 20 | Very low | 20.8 | Very low | 121 Ų | 121 | 125.2 Ų | 125.2 | 74% | 0.742 | 71% | 0.706 | S | S | * | * | trans | 55.5 | 125.6 | 141.7 | 61.9 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 1912 | S | 19.5 | Very low | 20.6 | Very low | 98 Ų | 98 | 124.5 Ų | 124.5 | 69% | 0.685 | 71% | 0.707 | S | S | * | * | 78.7 | 112.3 | 125.7 | 67.7 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 1913 | S | 20.4 | Very low | 20.6 | Very low | 100 Ų | 100 | 124.2 Ų | 124.2 | 70% | 0.699 | 71% | 0.706 | S | S | * | * | 85.7 | 150.6 | 126.1 | 74.1 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 1914 | N | 21.9 | Very low | 20.5 | Very low | 141 Ų | 141 | 125 Ų | 125 | 75% | 0.754 | 70% | 0.703 | S | S | * | * | trans | 80.5 | 93.2 | 158.1 | -63.8 | -6.1 | 0 | 0 | 0 | 121.5 | ||||
| 1915 | S | 20.7 | Very low | 20.5 | Very low | 100 Ų | 100 | 131.6 Ų | 131.6 | 70% | 0.699 | 71% | 0.713 | S | S | * | * | 62.1 | 111.3 | 120.7 | 67.3 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 1916 | F | 19.4 | Very low | 20.5 | Very low | 197 Ų | 197 | 131.5 Ų | 131.5 | 86% | 0.864 | 72% | 0.717 | S | S | * | * | trans | 69.6 | 148.2 | 131.7 | -91.2 | -88.8 | 0 | 0 | 0 | 122.8 | ||||
| 1917 | N | 21 | Very low | 20.5 | Very low | 132 Ų | 132 | 139.7 Ų | 139.7 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | trans | 71.4 | 92 | 161 | -66 | -26.2 | 0 | 0 | 0 | 119.5 | ||||
| 1918 | H | 21.5 | Very low | 20.5 | Very low | 165 Ų | 165 | 141.2 Ų | 141.2 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | 53.7 | 135.4 | 117.2 | -97.8 | -80.1 | 0 | 0 | 0 | 121.6 | |||||
| 1919 | N | 20.5 | Very low | 20.5 | Very low | 140 Ų | 140 | 145.7 Ų | 145.7 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | trans | 70.5 | 96.1 | 158 | -51.7 | -15.6 | 0 | 0 | 0 | 116.4 | ||||
| 1920 | L | 20.2 | Very low | 20.5 | Very low | 173 Ų | 173 | 148.1 Ų | 148.1 | 91% | 0.906 | 77% | 0.77 | S | S | * | * | trans | -154.8 | 144.4 | 131.1 | -112.5 | 168.4 | 0 | 0 | 0 | 111.4 | ||||
| 1921 | T | 19.9 | Very low | 20.4 | Very low | 119 Ų | 119 | 148 Ų | 148 | 73% | 0.73 | 76% | 0.756 | S | S | * | * | trans | -89.8 | 137.6 | -177.6 | 47.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1922 | V | 20.5 | Very low | 20.5 | Very low | 133 Ų | 133 | 148.2 Ų | 148.2 | 81% | 0.806 | 75% | 0.748 | S | S | * | * | trans | 27.8 | 104.8 | 138.7 | -170.4 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1923 | E | 20.6 | Very low | 20.6 | Very low | 142 Ų | 142 | 146.6 Ų | 146.6 | 66% | 0.664 | 73% | 0.734 | S | S | * | * | -172.7 | 133.8 | 113.5 | -93.3 | -145.5 | 169.4 | 0 | 0 | 114.3 | |||||
| 1924 | K | 20.7 | Very low | 20.9 | Very low | 152 Ų | 152 | 149 Ų | 149 | 66% | 0.661 | 74% | 0.739 | S | S | * | * | trans | 32 | 113.4 | 142.8 | -50.9 | 172.3 | -163.4 | 142.8 | 0 | 119.5 | ||||
| 1925 | R | 20.1 | Very low | 21 | Very low | 238 Ų | 238 | 152.1 Ų | 152.1 | 90% | 0.898 | 74% | 0.74 | S | S | * | * | 179.7 | 120.9 | 118.6 | -98.1 | 154.1 | -171.8 | 176.1 | 4.3 | 116.7 | |||||
| 1926 | T | 20.3 | Very low | 21.2 | Very low | 122 Ų | 122 | 158.8 Ų | 158.8 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | trans | 31.8 | 94.4 | 135.6 | 57.8 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1927 | R | 20.4 | Very low | 21.3 | Very low | 242 Ų | 242 | 155.7 Ų | 155.7 | 91% | 0.913 | 74% | 0.738 | S | S | * | * | 38.8 | 107.2 | 113.8 | -166.9 | -178.6 | -164.6 | 170.2 | 5.5 | 118.9 | |||||
| 1928 | T | 21.6 | Very low | 21.4 | Very low | 141 Ų | 141 | 157.2 Ų | 157.2 | 87% | 0.865 | 74% | 0.739 | S | S | * | * | trans | -133.3 | 169.2 | 160.2 | 42.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1929 | K | 20.4 | Very low | 21.5 | Very low | 180 Ų | 180 | 157 Ų | 157 | 78% | 0.783 | 74% | 0.742 | S | S | * | * | trans | -122.3 | 164.8 | -178.5 | -60 | -179.7 | 175.8 | -170.5 | 0 | 110.1 | ||||
| 1930 | I | 20 | Very low | 21.7 | Very low | 142 Ų | 142 | 157.2 Ų | 157.2 | 73% | 0.728 | 75% | 0.747 | S | S | * | * | 174.8 | 122.1 | 122.2 | -89.4 | 155 | 0 | 0 | 0 | 114.4 | |||||
| 1931 | Y | 19.8 | Very low | 21.8 | Very low | 130 Ų | 130 | 156.9 Ų | 156.9 | 51% | 0.51 | 75% | 0.747 | S | S | . | * | trans | 16.2 | 134.8 | 143.9 | -63.1 | -115.8 | 0 | 0 | 0 | 123.9 | Q1906 I1907 | Q1906-Y1931 HydrophobicContact CB-CD1 3.77Å; Q1906-Y1931 HydrophobicContact CB-CE1 4.29Å; Q1906-Y1931 HydrophobicContact CB-CG 4.01Å; Q1906-Y1931 HydrophobicContact CG-CD1 3.81Å; Q1906-Y1931 HydrophobicContact CG-CE1 4.1Å; Q1906-Y1931 VanDerWaalsContact OE1-CD1 3.28Å; I1907-Y1931 CarbonylContact O-C 3.57Å; I1907-Y1931 VanDerWaalsContact O-C 3.26Å | ||
| 1932 | H | 21 | Very low | 21.9 | Very low | 126 Ų | 126 | 160.9 Ų | 160.9 | 58% | 0.583 | 75% | 0.754 | S | S | * | * | -160.9 | 133.4 | 121.1 | -138.9 | -78.4 | 0 | 0 | 0 | 115.7 | I1907 T1908 | I1907-H1932 WeakPolarHBondContact CB-O 3.49Å; I1907-H1932 WeakPolarHBondContact CG2-O 3.37Å; I1907-H1932 PolarHBondContact O-N 3.04Å; T1908-H1932 HydrophobicContact CG2-CB 3.42Å; T1908-H1932 VanDerWaalsContact CG2-CB 3.42Å | |||
| 1933 | V | 21.7 | Very low | 21.9 | Very low | 63 Ų | 63 | 159.4 Ų | 159.4 | 38% | 0.382 | 75% | 0.749 | S | S | . | * | trans | -87.2 | 153.6 | 176.1 | 130.8 | 0 | 0 | 0 | 0 | 112.9 | Q1906 | Q1906-V1933 VanDerWaalsContact CD-CG2 3.46Å; Q1906-V1933 HydrophobicContact CG-CG2 3.89Å | ||
| 1934 | D | 26.5 | Very low | 22.1 | Very low | 152 Ų | 152 | 163 Ų | 163 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | trans | -149.1 | 158.8 | 137.3 | -146.3 | -22.4 | 0 | 0 | 0 | 112.3 | ||||
| 1935 | R | 23.8 | Very low | 22.2 | Very low | 205 Ų | 205 | 160.5 Ų | 160.5 | 77% | 0.774 | 76% | 0.759 | S | S | * | * | trans | -155.5 | 106.1 | -166.2 | 178.3 | -157.1 | -76.5 | -176.3 | -5.9 | 113.2 | ||||
| 1936 | R | 24.4 | Very low | 22.3 | Very low | 241 Ų | 241 | 154.2 Ų | 154.2 | 91% | 0.909 | 75% | 0.752 | S | S | * | * | trans | -145.6 | 119.5 | 161.4 | -82.4 | 171.1 | -179.5 | 166.8 | 0.5 | 109.2 | ||||
| 1937 | E | 23.6 | Very low | 22.7 | Very low | 132 Ų | 132 | 158 Ų | 158 | 62% | 0.617 | 76% | 0.758 | S | S | * | * | 89 | 87.2 | 55.3 | -75.1 | -96 | 110.4 | 0 | 0 | 114.8 | |||||
| 1938 | K | 22.9 | Very low | 23 | Very low | 164 Ų | 164 | 155.1 Ų | 155.1 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | trans | 71.1 | 168.3 | 137.9 | -61.7 | 163.9 | -179.1 | 147.4 | 0 | 120.5 | ||||
| 1939 | I | 22.7 | Very low | 23.2 | Very low | 160 Ų | 160 | 160 Ų | 160 | 82% | 0.821 | 76% | 0.757 | S | S | * | * | trans | 75.9 | 59.1 | 166.1 | -31 | -179.3 | 0 | 0 | 0 | 118.5 | ||||
| 1940 | V | 25.7 | Very low | 23.7 | Very low | 144 Ų | 144 | 159.6 Ų | 159.6 | 87% | 0.873 | 76% | 0.756 | S | S | * | * | -141.1 | 86.8 | 127.8 | -173.7 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 1941 | N | 21.3 | Very low | 24 | Very low | 166 Ų | 166 | 157.3 Ų | 157.3 | 89% | 0.888 | 74% | 0.742 | S | S | * | * | trans | -156.8 | 72.9 | 175 | -120 | -30.1 | 0 | 0 | 0 | 110.9 | ||||
| 1942 | K | 21.9 | Very low | 24.5 | Very low | 203 Ų | 203 | 158.4 Ų | 158.4 | 88% | 0.883 | 76% | 0.755 | S | S | * | * | trans | -155.6 | 61.3 | -177.3 | -137.2 | -176.7 | -171.9 | -174.2 | 0 | 114.2 | ||||
| 1943 | C | 21.7 | Very low | 24.9 | Very low | 103 Ų | 103 | 160.5 Ų | 160.5 | 70% | 0.696 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -159.8 | 146.5 | 157.3 | -100.5 | 0 | 0 | 0 | 0 | 110.6 | ||
| 1944 | Y | 22.8 | Very low | 25.2 | Very low | 216 Ų | 216 | 166.4 Ų | 166.4 | 85% | 0.847 | 78% | 0.78 | S | S | * | * | trans | 35 | 92.7 | 168.8 | -46.1 | -67.1 | 0 | 0 | 0 | 116.8 | ||||
| 1945 | S | 22.9 | Very low | 25.3 | Very low | 100 Ų | 100 | 168.6 Ų | 168.6 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | cis | 64.6 | 65.3 | 43.4 | -152.7 | 0 | 0 | 0 | 0 | 115.8 | K1947 | S1945-K1947 PolarHBondContact O-N 3.27Š| ||
| 1946 | S | 23.7 | Very low | 25.5 | Very low | 107 Ų | 107 | 170.7 Ų | 170.7 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | 48.7 | 54.7 | 114.5 | -52.5 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 1947 | K | 27.1 | Very low | 25.6 | Very low | 202 Ų | 202 | 164.2 Ų | 164.2 | 88% | 0.878 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -101.3 | -11.7 | 176.1 | -115.3 | -175.6 | -179.4 | -175.7 | 0 | 118 | S1945 | S1945-K1947 PolarHBondContact O-N 3.27Š|
| 1948 | Q | 26.7 | Very low | 25.7 | Very low | 181 Ų | 181 | 164 Ų | 164 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -110.2 | -31.6 | 177 | -79.5 | 175.4 | -25.1 | 0 | 0 | 114.7 | K1950 | Q1948-K1950 VanDerWaalsContact C-N 3.29Å; Q1948-K1950 PolarHBondContact O-N 3.13Å; Q1948-K1950 VanDerWaalsContact O-N 3.12Å |
| 1949 | R | 26.9 | Very low | 25.8 | Very low | 242 Ų | 242 | 167.8 Ų | 167.8 | 91% | 0.913 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | 16.1 | -171.3 | -143.1 | 177.6 | -171.5 | -177.3 | 2.9 | 116.3 | ||
| 1950 | K | 29.9 | Very low | 25.9 | Very low | 172 Ų | 172 | 168.2 Ų | 168.2 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135 | -6.2 | 179.1 | -84.4 | -165.1 | 173.9 | -175.4 | 0 | 117.3 | Q1948 | Q1948-K1950 VanDerWaalsContact C-N 3.29Å; Q1948-K1950 PolarHBondContact O-N 3.13Å; Q1948-K1950 VanDerWaalsContact O-N 3.12Å |
| 1951 | E | 27.5 | Very low | 25.8 | Very low | 95 Ų | 95 | 169.5 Ų | 169.5 | 44% | 0.444 | 79% | 0.794 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.4 | -38.3 | 179 | -170.7 | 64.2 | -176.6 | 0 | 0 | 112.4 | H1953 R1954 R1955 | E1951-H1953 PolarHBondContact O-N 2.73Å; E1951-R1954 PolarHBondContact O-N 3.32Å; E1951-R1955 IonicContact OE1-CZ 3.56Å; E1951-R1955 IonicContact OE1-NE 2.76Å; E1951-R1955 PolarHBondContact OE1-NE 2.98Å; E1951-R1955 IonicContact OE1-NH2 3.55Å; E1951-R1955 PolarHBondContact OE1-NH2 3.2Å |
| 1952 | I | 28.8 | Very low | 25.8 | Very low | 152 Ų | 152 | 170.9 Ų | 170.9 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | G | 310 helix | trans | -60.1 | -44.9 | -178.2 | -66.5 | 176.4 | 0 | 0 | 0 | 111.8 | R1954 | I1952-R1954 PolarHBondContact O-N 3.07Š|
| 1953 | H | 30.6 | Very low | 25.9 | Very low | 170 Ų | 170 | 166.4 Ų | 166.4 | 79% | 0.787 | 79% | 0.789 | S | S | * | * | G | 310 helix | trans | -70.5 | -12.2 | 177 | -81.8 | -53.7 | 0 | 0 | 0 | 114.5 | E1951 | E1951-H1953 PolarHBondContact O-N 2.73Š|
| 1954 | R | 27.3 | Very low | 26 | Very low | 188 Ų | 188 | 169.9 Ų | 169.9 | 71% | 0.709 | 80% | 0.8 | S | S | * | * | G | 310 helix | trans | -96.1 | -8.3 | -178.7 | -151.8 | 169.9 | -172.1 | 163.7 | 4.7 | 114.6 | E1951 I1952 | E1951-R1954 PolarHBondContact O-N 3.32Å; I1952-R1954 PolarHBondContact O-N 3.07Å |
| 1955 | R | 30.1 | Very low | 25.9 | Very low | 197 Ų | 197 | 164.6 Ų | 164.6 | 74% | 0.743 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -106 | 1.8 | -177.1 | -67.5 | -158.5 | -175.7 | -148 | 1.2 | 117.3 | E1951 | E1951-R1955 IonicContact OE1-CZ 3.56Å; E1951-R1955 IonicContact OE1-NE 2.76Å; E1951-R1955 PolarHBondContact OE1-NE 2.98Å; E1951-R1955 IonicContact OE1-NH2 3.55Å; E1951-R1955 PolarHBondContact OE1-NH2 3.2Å |
| 1956 | R | 28.1 | Very low | 25.9 | Very low | 250 Ų | 250 | 168.5 Ų | 168.5 | 94% | 0.943 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -124.1 | 1.6 | 173.6 | -89.7 | -172 | 173.1 | 179.1 | -1.8 | 117 | ||
| 1957 | S | 24.9 | Very low | 25.9 | Very low | 105 Ų | 105 | 171.3 Ų | 171.3 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -115 | 26.7 | 173.5 | -153.7 | 0 | 0 | 0 | 0 | 113.8 | ||
| 1958 | L | 26.2 | Very low | 25.6 | Very low | 128 Ų | 128 | 166 Ų | 166 | 67% | 0.67 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -146.9 | 69.1 | 177.3 | -77.2 | 179.7 | 0 | 0 | 0 | 112.3 | ||
| 1959 | R | 25.3 | Very low | 25.4 | Very low | 243 Ų | 243 | 168.8 Ų | 168.8 | 92% | 0.917 | 79% | 0.793 | S | S | * | * | S | Bend | trans | 178.9 | 73.4 | 149 | -103.7 | 172.5 | -177.1 | -172.6 | 1.2 | 112.9 | ||
| 1960 | L | 24.3 | Very low | 25.1 | Very low | 169 Ų | 169 | 160.4 Ų | 160.4 | 89% | 0.885 | 78% | 0.782 | S | S | * | * | S | Bend | trans | 177.8 | 70.2 | 143.3 | -100.5 | 162.1 | 0 | 0 | 0 | 110.2 | ||
| 1961 | N | 23.3 | Very low | 24.7 | Very low | 171 Ų | 171 | 156.3 Ų | 156.3 | 91% | 0.914 | 78% | 0.78 | S | S | * | * | trans | -171.8 | 70.8 | 156.1 | -100.2 | -29 | 0 | 0 | 0 | 109.6 | ||||
| 1962 | Q | 22.7 | Very low | 24.4 | Very low | 195 Ų | 195 | 162 Ų | 162 | 91% | 0.911 | 80% | 0.799 | S | S | * | * | trans | -140.2 | 63.1 | 172.4 | -85.2 | -162.9 | -24.3 | 0 | 0 | 111 | ||||
| 1963 | S | 24.1 | Very low | 24.2 | Very low | 109 Ų | 109 | 163.1 Ų | 163.1 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | trans | -172.9 | 71.2 | 159.8 | 56.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1964 | L | 23.1 | Very low | 24 | Very low | 176 Ų | 176 | 161.9 Ų | 161.9 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | trans | -162.8 | 54.4 | 152.3 | -110.4 | 162.1 | 0 | 0 | 0 | 112 | K1966 | L1964-K1966 PolarHBondContact O-N 3Š| ||
| 1965 | S | 20.2 | Very low | 23.8 | Very low | 105 Ų | 105 | 160.5 Ų | 160.5 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | trans | -68 | 123 | 158.4 | 55.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1966 | K | 22.4 | Very low | 23.7 | Very low | 181 Ų | 181 | 157.4 Ų | 157.4 | 79% | 0.787 | 81% | 0.809 | S | S | * | * | trans | 168.8 | 161.3 | 138.4 | -95 | 163.6 | -176.9 | -178.4 | 0 | 111.7 | L1964 | L1964-K1966 PolarHBondContact O-N 3Š| ||
| 1967 | H | 25.4 | Very low | 23.7 | Very low | 167 Ų | 167 | 151 Ų | 151 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | 66.3 | 108.4 | 171.4 | -56.4 | -58.6 | 0 | 0 | 0 | 116.3 | ||||
| 1968 | S | 19.5 | Very low | 23.9 | Very low | 89 Ų | 89 | 152.6 Ų | 152.6 | 62% | 0.622 | 80% | 0.799 | S | S | * | * | cis | 93.1 | 63.3 | 34.8 | 85.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1969 | Y | 22.1 | Very low | 24 | Very low | 241 Ų | 241 | 152.2 Ų | 152.2 | 95% | 0.945 | 80% | 0.797 | S | S | * | * | trans | -125.3 | 136.7 | 136.5 | -81.3 | -88.7 | 0 | 0 | 0 | 105.8 | ||||
| 1970 | G | 22.4 | Very low | 24.2 | Very low | 66 Ų | 66 | 146.7 Ų | 146.7 | 68% | 0.68 | 78% | 0.78 | S | S | * | * | 92.8 | 67.6 | 62.9 | 0 | 0 | 0 | 0 | 0 | 107 | |||||
| 1971 | A | 20.4 | Very low | 24.3 | Very low | 86 Ų | 86 | 144.4 Ų | 144.4 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | 66.3 | 119.7 | 64.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1972 | Y | 21.7 | Very low | 24.4 | Very low | 214 Ų | 214 | 142.8 Ų | 142.8 | 84% | 0.839 | 76% | 0.76 | S | S | * | * | trans | 62.7 | 108.3 | -179.8 | -58.6 | -82.8 | 0 | 0 | 0 | 117.4 | ||||
| 1973 | L | 24.7 | Very low | 24.6 | Very low | 175 Ų | 175 | 137.6 Ų | 137.6 | 92% | 0.916 | 74% | 0.738 | S | S | * | * | -159 | 134.5 | 104.9 | -98.6 | 164.7 | 0 | 0 | 0 | 108.3 | |||||
| 1974 | N | 25.5 | Very low | 24.7 | Very low | 144 Ų | 144 | 140.2 Ų | 140.2 | 77% | 0.77 | 74% | 0.736 | S | S | * | * | trans | -85.6 | 166.7 | -178 | -74.6 | -0.1 | 0 | 0 | 0 | 111.8 | D1976 | N1974-D1976 PolarHBondContact O-N 3.02Š| ||
| 1975 | D | 23.4 | Very low | 24.8 | Very low | 159 Ų | 159 | 139.2 Ų | 139.2 | 85% | 0.85 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -52.2 | 127 | 178.4 | -54.2 | -88.4 | 0 | 0 | 0 | 114.1 | ||
| 1976 | D | 27.5 | Very low | 25 | Very low | 133 Ų | 133 | 140.7 Ų | 140.7 | 71% | 0.711 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -163.4 | -36.8 | 150 | -121.6 | -30.7 | 0 | 0 | 0 | 113.7 | N1974 | N1974-D1976 PolarHBondContact O-N 3.02Š|
| 1977 | D | 28.8 | Very low | 25.1 | Very low | 114 Ų | 114 | 140.3 Ų | 140.3 | 61% | 0.61 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -94.5 | -13.9 | -167.1 | -92.7 | -35.5 | 0 | 0 | 0 | 117.7 | N1979 K1980 | D1977-N1979 PolarHBondContact O-N 3.18Å; D1977-K1980 WeakPolarHBondContact OD1-CD 3.45Å; D1977-K1980 WeakPolarHBondContact OD1-CE 2.95Å; D1977-K1980 IonicContact OD1-NZ 3.57Å; D1977-K1980 PolarHBondContact OD1-NZ 3.26Å |
| 1978 | V | 29.4 | Very low | 25 | Very low | 139 Ų | 139 | 141.4 Ų | 141.4 | 84% | 0.842 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -63.7 | -32.5 | 176.6 | -180 | 0 | 0 | 0 | 0 | 111.6 | K1980 | V1978-K1980 VanDerWaalsContact C-N 3.26Å; V1978-K1980 PolarHBondContact O-N 3.28Å |
| 1979 | N | 27.1 | Very low | 25 | Very low | 120 Ų | 120 | 148.7 Ų | 148.7 | 64% | 0.642 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -76.7 | -6.1 | -169.8 | -141 | -17.5 | 0 | 0 | 0 | 114.3 | D1977 N1983 | D1977-N1979 PolarHBondContact O-N 3.18Å; N1979-N1983 PolarHBondContact O-ND2 3.27Å |
| 1980 | K | 29.7 | Very low | 25 | Very low | 127 Ų | 127 | 148.9 Ų | 148.9 | 55% | 0.552 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -86 | -28 | -177.8 | -71.6 | 171.7 | -166.4 | 150.7 | 0 | 114.3 | D1977 V1978 | D1977-K1980 WeakPolarHBondContact OD1-CD 3.45Å; D1977-K1980 WeakPolarHBondContact OD1-CE 2.95Å; D1977-K1980 IonicContact OD1-NZ 3.57Å; D1977-K1980 PolarHBondContact OD1-NZ 3.26Å; V1978-K1980 VanDerWaalsContact C-N 3.26Å; V1978-K1980 PolarHBondContact O-N 3.28Å |
| 1981 | N | 27.1 | Very low | 24.9 | Very low | 122 Ų | 122 | 157 Ų | 157 | 65% | 0.652 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | -30 | -173.2 | -82.2 | -34.2 | 0 | 0 | 0 | 115 | N1983 K1984 | N1981-N1983 PolarHBondContact O-N 3.42Å; N1981-K1984 PolarHBondContact O-N 2.92Å |
| 1982 | L | 25.1 | Very low | 25 | Very low | 137 Ų | 137 | 163.2 Ų | 163.2 | 72% | 0.717 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -67.9 | -27.2 | 173.9 | -148.5 | 73.6 | 0 | 0 | 0 | 112.2 | K1984 L1985 | L1982-K1984 PolarHBondContact O-N 3.23Å; L1982-K1984 VanDerWaalsContact O-N 3.14Å; L1982-L1985 PolarHBondContact O-N 2.97Å |
| 1983 | N | 26.6 | Very low | 24.9 | Very low | 85 Ų | 85 | 162.2 Ų | 162.2 | 46% | 0.455 | 77% | 0.771 | S | S | . | * | G | 310 helix | trans | -70.7 | -1 | 178.8 | -86.4 | -62.4 | 0 | 0 | 0 | 115.3 | N1979 N1981 | N1979-N1983 PolarHBondContact O-ND2 3.27Å; N1981-N1983 PolarHBondContact O-N 3.42Å |
| 1984 | K | 27.6 | Very low | 24.7 | Very low | 165 Ų | 165 | 162.1 Ų | 162.1 | 72% | 0.717 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -83.4 | -24.8 | 171.6 | -80.3 | -178.9 | 176.1 | 171.1 | 0 | 114.1 | N1981 L1982 | N1981-K1984 PolarHBondContact O-N 2.92Å; L1982-K1984 PolarHBondContact O-N 3.23Å; L1982-K1984 VanDerWaalsContact O-N 3.14Å |
| 1985 | L | 23.8 | Very low | 24.4 | Very low | 154 Ų | 154 | 159.2 Ų | 159.2 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | G | 310 helix | trans | -79.6 | -26.6 | 179.9 | -109.6 | 154.5 | 0 | 0 | 0 | 113.3 | L1982 K1987 | L1982-L1985 PolarHBondContact O-N 2.97Å; L1985-K1987 VanDerWaalsContact C-N 3.34Å; L1985-K1987 PolarHBondContact O-N 3.32Å |
| 1986 | N | 24.5 | Very low | 24.4 | Very low | 136 Ų | 136 | 155.1 Ų | 155.1 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -86.1 | 12.1 | -177.3 | -84.6 | -37.6 | 0 | 0 | 0 | 115.8 | ||
| 1987 | K | 24 | Very low | 23.9 | Very low | 173 Ų | 173 | 159.6 Ų | 159.6 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | G | 310 helix | trans | -107.4 | 15.3 | -177.1 | -81.6 | -174.6 | 174.7 | 177.8 | 0 | 116 | L1985 | L1985-K1987 VanDerWaalsContact C-N 3.34Å; L1985-K1987 PolarHBondContact O-N 3.32Å |
| 1988 | H | 23.7 | Very low | 23.5 | Very low | 190 Ų | 190 | 160.9 Ų | 160.9 | 88% | 0.88 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -115.3 | 13.6 | 175.8 | -81.5 | 9.2 | 0 | 0 | 0 | 115.6 | ||
| 1989 | R | 20.8 | Very low | 23.1 | Very low | 243 Ų | 243 | 159 Ų | 159 | 92% | 0.917 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -134.2 | 36.8 | 173.7 | -134 | 176.9 | -170.6 | -168.5 | 2.7 | 116.6 | ||
| 1990 | R | 21.2 | Very low | 22.8 | Very low | 245 Ų | 245 | 157.9 Ų | 157.9 | 93% | 0.925 | 78% | 0.777 | S | S | * | * | trans | -139.5 | 71.8 | 162.4 | -73 | -165.7 | -179.1 | -178.5 | 2.6 | 112.2 | ||||
| 1991 | R | 21.1 | Very low | 22.3 | Very low | 236 Ų | 236 | 162.7 Ų | 162.7 | 89% | 0.891 | 79% | 0.792 | S | S | * | * | trans | -151 | 66 | 168.9 | -156.4 | 179.2 | -164.3 | 176.7 | 4.7 | 113.9 | ||||
| 1992 | F | 21.5 | Very low | 22 | Very low | 217 Ų | 217 | 166.6 Ų | 166.6 | 95% | 0.952 | 80% | 0.803 | S | S | * | * | trans | -157.6 | 117.9 | 140.5 | -96.6 | -65.5 | 0 | 0 | 0 | 108.1 | ||||
| 1993 | Q | 20.7 | Very low | 21.7 | Very low | 192 Ų | 192 | 167.4 Ų | 167.4 | 90% | 0.897 | 81% | 0.808 | S | S | * | * | trans | -97.5 | 132.2 | 172.5 | -68.6 | 166.3 | -71 | 0 | 0 | 108.1 | ||||
| 1994 | L | 20.2 | Very low | 21.4 | Very low | 173 Ų | 173 | 169.8 Ų | 169.8 | 91% | 0.906 | 82% | 0.819 | S | S | * | * | trans | -141.5 | 99.1 | 154.2 | -141 | 98.3 | 0 | 0 | 0 | 109.5 | G1996 | L1994-G1996 PolarHBondContact O-N 3.24Š| ||
| 1995 | G | 19.6 | Very low | 21.1 | Very low | 84 Ų | 84 | 170.7 Ų | 170.7 | 87% | 0.866 | 83% | 0.831 | S | S | * | * | trans | -84.1 | 88.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1996 | G | 22.3 | Very low | 21 | Very low | 73 Ų | 73 | 168.8 Ų | 168.8 | 75% | 0.753 | 83% | 0.826 | S | S | * | * | trans | -85.1 | 120.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1994 | L1994-G1996 PolarHBondContact O-N 3.24Š| ||
| 1997 | R | 17.5 | Very low | 20.8 | Very low | 227 Ų | 227 | 167.1 Ų | 167.1 | 86% | 0.857 | 83% | 0.825 | S | S | * | * | trans | -98.7 | 132.3 | -179.4 | -102 | -177.5 | 170.9 | 179.8 | -1.9 | 112 | ||||
| 1998 | I | 19.5 | Very low | 20.8 | Very low | 140 Ų | 140 | 166.5 Ų | 166.5 | 72% | 0.718 | 83% | 0.83 | S | S | * | * | trans | 75.5 | 143.7 | 140.5 | -62.9 | 167.1 | 0 | 0 | 0 | 118.4 | ||||
| 1999 | S | 21 | Very low | 20.8 | Very low | 100 Ų | 100 | 164.5 Ų | 164.5 | 70% | 0.699 | 83% | 0.825 | S | S | * | * | trans | 74.8 | 102.9 | 158.6 | -79.9 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 2000 | S | 21.6 | Very low | 21.1 | Very low | 97 Ų | 97 | 157.9 Ų | 157.9 | 68% | 0.678 | 82% | 0.816 | S | S | * | * | 86.9 | 154.6 | 119.3 | 83.4 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 2001 | R | 19.9 | Very low | 21.4 | Very low | 228 Ų | 228 | 151.9 Ų | 151.9 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | 63.7 | 106.9 | 177.5 | -54.3 | 176 | -173.5 | -172.9 | -0.3 | 111.7 | ||||
| 2002 | K | 19.8 | Very low | 21.9 | Very low | 204 Ų | 204 | 146.2 Ų | 146.2 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | cis | 54.7 | 65.7 | 34.4 | -124.3 | -165.9 | -171.4 | -170.5 | 0 | 111 | ||||
| 2003 | N | 20 | Very low | 22.8 | Very low | 153 Ų | 153 | 138.6 Ų | 138.6 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -174.3 | 173.6 | 144.6 | -91.9 | -9 | 0 | 0 | 0 | 109.1 | ||||
| 2004 | I | 20.2 | Very low | 24.2 | Very low | 135 Ų | 135 | 130.4 Ų | 130.4 | 69% | 0.692 | 73% | 0.734 | S | S | * | * | trans | 68.3 | 65.6 | 171.7 | -41.4 | -174.1 | 0 | 0 | 0 | 114.4 | T2006 | I2004-T2006 WeakPolarHBondContact CG2-OG1 3.41Å; I2004-T2006 PolarHBondContact O-N 3.32Å | ||
| 2005 | L | 20.4 | Very low | 25.9 | Very low | 184 Ų | 184 | 124.2 Ų | 124.2 | 96% | 0.963 | 71% | 0.705 | S | S | * | * | trans | -75.9 | 56.4 | 153.9 | -87 | 167.6 | 0 | 0 | 0 | 110.4 | ||||
| 2006 | T | 21 | Very low | 28.1 | Very low | 114 Ų | 114 | 122 Ų | 122 | 70% | 0.699 | 68% | 0.676 | S | S | * | * | trans | -146 | 56.2 | 176.6 | 61.8 | 0 | 0 | 0 | 0 | 111.3 | I2004 | I2004-T2006 WeakPolarHBondContact CG2-OG1 3.41Å; I2004-T2006 PolarHBondContact O-N 3.32Å | ||
| 2007 | S | 22.2 | Very low | 30.8 | Very low | 101 Ų | 101 | 118.5 Ų | 118.5 | 71% | 0.706 | 64% | 0.64 | S | S | * | * | trans | -114.1 | 105.9 | 166 | 47.3 | 0 | 0 | 0 | 0 | 109.7 | N2009 | S2007-N2009 PolarHBondContact O-N 2.91Š| ||
| 2008 | N | 22.3 | Very low | 33.9 | Very low | 160 Ų | 160 | 107.8 Ų | 107.8 | 86% | 0.856 | 60% | 0.6 | S | S | * | * | trans | -67.1 | 95.1 | 178.1 | -66.2 | -22.7 | 0 | 0 | 0 | 110.3 | ||||
| 2009 | N | 24.6 | Very low | 36.9 | Very low | 148 Ų | 148 | 103.2 Ų | 103.2 | 79% | 0.791 | 58% | 0.581 | S | S | * | * | trans | -125.5 | 78.5 | 159.6 | -92.3 | -21.9 | 0 | 0 | 0 | 108.1 | S2007 V2011 | S2007-N2009 PolarHBondContact O-N 2.91Å; N2009-V2011 VanDerWaalsContact C-N 3.32Å; N2009-V2011 PolarHBondContact O-N 3Å | ||
| 2010 | S | 26.2 | Very low | 39.8 | Very low | 104 Ų | 104 | 101.5 Ų | 101.5 | 73% | 0.727 | 56% | 0.564 | S | S | * | * | trans | -64.7 | 93.6 | 164.6 | 51.4 | 0 | 0 | 0 | 0 | 108.5 | T2012 | S2010-T2012 PolarHBondContact O-N 2.9Š| ||
| 2011 | V | 29 | Very low | 42.9 | Very low | 120 Ų | 120 | 97.1 Ų | 97.1 | 73% | 0.727 | 53% | 0.533 | S | S | * | . | trans | -60.5 | 119.8 | 170.7 | -176.3 | 0 | 0 | 0 | 0 | 107.2 | N2009 C2013 | N2009-V2011 VanDerWaalsContact C-N 3.32Å; N2009-V2011 PolarHBondContact O-N 3Å; V2011-C2013 VanDerWaalsContact C-N 3.26Å; V2011-C2013 PolarHBondContact O-N 2.67Å; V2011-C2013 PolarHBondContact O-SG 3.25Å | ||
| 2012 | T | 30.2 | Very low | 46.1 | Very low | 117 Ų | 117 | 87.1 Ų | 87.1 | 72% | 0.718 | 50% | 0.496 | S | S | * | . | trans | -83.1 | 67.5 | -170.2 | 51 | 0 | 0 | 0 | 0 | 111.1 | S2010 D2014 | S2010-T2012 PolarHBondContact O-N 2.9Å; T2012-D2014 PolarHBondContact O-N 2.99Å | ||
| 2013 | C | 40.9 | Very low | 49.3 | Very low | 56 Ų | 56 | 82.2 Ų | 82.2 | 38% | 0.378 | 48% | 0.48 | S | S | . | . | G | 310 helix | trans | -66.2 | -27.1 | -169.7 | -58.2 | 0 | 0 | 0 | 0 | 115.1 | V2011 S2015 S2016 | V2011-C2013 VanDerWaalsContact C-N 3.26Å; V2011-C2013 PolarHBondContact O-N 2.67Å; V2011-C2013 PolarHBondContact O-SG 3.25Å; C2013-S2015 PolarHBondContact O-N 3.48Å; C2013-S2016 PolarHBondContact O-N 3.2Å; C2013-S2016 PolarHBondContact O-OG 2.85Å |
| 2014 | D | 50.4 | Low | 52.6 | Low | 21 Ų | 21 | 76.2 Ų | 76.2 | 11% | 0.112 | 45% | 0.447 | C | S | . | . | G | 310 helix | trans | -64.6 | -15.2 | -169.1 | -58.4 | -83.7 | 0 | 0 | 0 | 114.4 | T2012 K2082 I2085 R2086 I2089 | T2012-D2014 PolarHBondContact O-N 2.99Å; D2014-K2082 WeakPolarHBondContact OD2-CE 3.38Å; D2014-K2082 WeakPolarHBondContact OD2-CG 3.41Å; D2014-I2085 HydrophobicContact CB-CG2 4.19Å; D2014-R2086 IonicContact OD1-CZ 2.7Å; D2014-R2086 IonicContact OD1-NE 3.65Å; D2014-R2086 PolarHBondContact OD1-NE 3.34Å; D2014-R2086 IonicContact OD1-NH2 3.64Å; D2014-R2086 PolarHBondContact OD1-NH2 2.96Å; D2014-I2089 HydrophobicContact CB-CD1 4.45Å; D2014-I2089 VanDerWaalsContact O-CD1 3.25Å; D2014-I2089 WeakPolarHBondContact O-CD1 3.35Å |
| 2015 | S | 55.1 | Low | 55.8 | Low | 43 Ų | 43 | 69.8 Ų | 69.8 | 30% | 0.301 | 41% | 0.414 | S | S | . | . | G | 310 helix | trans | -114.4 | -9.5 | 177.4 | -172.9 | 0 | 0 | 0 | 0 | 115.1 | C2013 W2017 I2018 | C2013-S2015 PolarHBondContact O-N 3.48Å; S2015-W2017 VanDerWaalsContact C-N 3.32Å; S2015-W2017 PolarHBondContact O-N 3.5Å; S2015-I2018 PolarHBondContact O-N 2.98Å |
| 2016 | S | 66.3 | Low | 59.1 | Low | 37 Ų | 37 | 66.9 Ų | 66.9 | 26% | 0.259 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -69.5 | -32.1 | -173.4 | 70 | 0 | 0 | 0 | 0 | 112.4 | C2013 I2018 S2019 D2020 | C2013-S2016 PolarHBondContact O-N 3.2Å; C2013-S2016 PolarHBondContact O-OG 2.85Å; S2016-I2018 PolarHBondContact O-N 2.82Å; S2016-S2019 PolarHBondContact O-N 2.95Å; S2016-S2019 VanDerWaalsContact O-N 3.15Å; S2016-S2019 PolarHBondContact O-OG 2.87Å; S2016-D2020 WeakPolarHBondContact O-CB 3.39Å; S2016-D2020 PolarHBondContact O-N 2.83Å |
| 2017 | W | 78.9 | Confident | 62.3 | Low | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -58.8 | -33.3 | 179 | 83.1 | -95.1 | 0 | 0 | 0 | 112.9 | S2015 S2021 L2066 I2089 Y2093 P2095 L2098 L2139 F2142 | S2015-W2017 VanDerWaalsContact C-N 3.32Å; S2015-W2017 PolarHBondContact O-N 3.5Å; W2017-S2021 WeakPolarHBondContact O-CB 3.32Å; W2017-S2021 PolarHBondContact O-N 2.97Å; W2017-S2021 PolarHBondContact O-OG 2.75Å; W2017-L2066 HydrophobicContact CH2-CD2 4.41Å; W2017-L2066 HydrophobicContact CZ3-CD2 4.13Å; W2017-I2089 HydrophobicContact CZ2-CG2 4.2Å; W2017-Y2093 WeakPolarHBondContact CH2-O 3.32Å; W2017-Y2093 WeakPolarHBondContact CZ2-O 3.42Å; W2017-P2095 HydrophobicContact CD2-CG 3.76Å; W2017-P2095 HydrophobicContact CE3-CB 4.27Å; W2017-P2095 HydrophobicContact CE3-CG 3.85Å; W2017-P2095 HydrophobicContact CG-CG 4.42Å; W2017-P2095 HydrophobicContact CH2-CG 3.94Å; W2017-P2095 HydrophobicContact CZ2-CG 3.83Å; W2017-P2095 HydrophobicContact CZ3-CB 4.22Å; W2017-P2095 HydrophobicContact CZ3-CG 3.94Å; W2017-L2098 HydrophobicContact CZ3-CD2 4.13Å; W2017-L2139 HydrophobicContact CE3-CD2 4.39Å; W2017-F2142 HydrophobicContact CB-CB 4.07Å; W2017-F2142 HydrophobicContact CB-CD1 3.57Å; W2017-F2142 HydrophobicContact CB-CD2 3.5Å; W2017-F2142 VanDerWaalsContact CB-CD2 3.5Å; W2017-F2142 HydrophobicContact CB-CE1 3.78Å; W2017-F2142 HydrophobicContact CB-CE2 3.71Å; W2017-F2142 HydrophobicContact CB-CG 3.43Å; W2017-F2142 VanDerWaalsContact CB-CG 3.43Å; W2017-F2142 HydrophobicContact CB-CZ 3.85Å; W2017-F2142 HydrophobicContact CG-CG 4.49Å |
| 2018 | I | 83.1 | Confident | 65.5 | Low | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.01 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -71.6 | -44.7 | 178.2 | -57.9 | 179.5 | 0 | 0 | 0 | 110.1 | S2015 S2016 S2021 L2022 L2066 A2069 Q2070 L2073 | S2015-I2018 PolarHBondContact O-N 2.98Å; S2016-I2018 PolarHBondContact O-N 2.82Å; I2018-S2021 PolarHBondContact O-N 2.95Å; I2018-L2022 HydrophobicContact CG2-CD1 4.05Å; I2018-L2022 WeakPolarHBondContact O-CB 3.08Å; I2018-L2022 VanDerWaalsContact O-CG 3.32Å; I2018-L2022 WeakPolarHBondContact O-CG 3.33Å; I2018-L2022 PolarHBondContact O-N 3.05Å; I2018-L2066 HydrophobicContact CG2-CD2 4.29Å; I2018-A2069 HydrophobicContact CD1-CB 4.26Å; I2018-Q2070 HydrophobicContact CG2-CB 4Å; I2018-Q2070 HydrophobicContact CG2-CG 4.48Å; I2018-L2073 HydrophobicContact CD1-CD1 3.67Å |
| 2019 | S | 82.2 | Confident | 68.7 | Low | 44 Ų | 44 | 56.5 Ų | 56.5 | 31% | 0.308 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.5 | -39.1 | 175.5 | 47.3 | 0 | 0 | 0 | 0 | 112.3 | S2016 L2022 N2023 | S2016-S2019 PolarHBondContact O-N 2.95Å; S2016-S2019 VanDerWaalsContact O-N 3.15Å; S2016-S2019 PolarHBondContact O-OG 2.87Å; S2019-L2022 PolarHBondContact O-N 2.64Å; S2019-N2023 WeakPolarHBondContact O-CB 3.39Å; S2019-N2023 PolarHBondContact O-N 3.38Å; S2019-N2023 PolarHBondContact O-ND2 3.27Å |
| 2020 | D | 82.6 | Confident | 71.7 | Confident | 64 Ų | 64 | 53.8 Ų | 53.8 | 34% | 0.342 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -70.3 | -39 | 179.2 | -62.9 | -24.6 | 0 | 0 | 0 | 110.9 | S2016 N2023 L2024 F2142 | S2016-D2020 WeakPolarHBondContact O-CB 3.39Å; S2016-D2020 PolarHBondContact O-N 2.83Å; D2020-N2023 PolarHBondContact O-N 3.49Å; D2020-L2024 WeakPolarHBondContact O-CG 3.47Å; D2020-L2024 PolarHBondContact O-N 3.32Å; D2020-F2142 HydrophobicContact CB-CE2 4.48Å; D2020-F2142 HydrophobicContact CB-CZ 4.47Å; D2020-F2142 WeakPolarHBondContact OD2-CZ 3.41Å |
| 2021 | S | 85.5 | Confident | 74.7 | Confident | 5 Ų | 5 | 52.5 Ų | 52.5 | 4% | 0.035 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.3 | -40 | 172.6 | -59 | 0 | 0 | 0 | 0 | 112.3 | W2017 I2018 N2023 L2024 I2025 | W2017-S2021 WeakPolarHBondContact O-CB 3.32Å; W2017-S2021 PolarHBondContact O-N 2.97Å; W2017-S2021 PolarHBondContact O-OG 2.75Å; I2018-S2021 PolarHBondContact O-N 2.95Å; S2021-N2023 VanDerWaalsContact C-N 3.35Å; S2021-L2024 PolarHBondContact O-N 3.48Å; S2021-I2025 WeakPolarHBondContact O-CB 3.26Å; S2021-I2025 VanDerWaalsContact O-CG1 3.26Å; S2021-I2025 WeakPolarHBondContact O-CG1 3.39Å; S2021-I2025 PolarHBondContact O-N 3.03Å |
| 2022 | L | 87 | Confident | 77.7 | Confident | 18 Ų | 18 | 57.5 Ų | 57.5 | 9% | 0.094 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.7 | -40.1 | 174 | -80 | 168.2 | 0 | 0 | 0 | 111.8 | I2018 S2019 I2025 Q2026 Q2063 L2066 I2067 Q2070 | I2018-L2022 HydrophobicContact CG2-CD1 4.05Å; I2018-L2022 WeakPolarHBondContact O-CB 3.08Å; I2018-L2022 VanDerWaalsContact O-CG 3.32Å; I2018-L2022 WeakPolarHBondContact O-CG 3.33Å; I2018-L2022 PolarHBondContact O-N 3.05Å; S2019-L2022 PolarHBondContact O-N 2.64Å; L2022-I2025 PolarHBondContact O-N 2.78Å; L2022-Q2026 VanDerWaalsContact O-CB 3.25Å; L2022-Q2026 WeakPolarHBondContact O-CB 3.3Å; L2022-Q2026 PolarHBondContact O-N 2.7Å; L2022-Q2063 HydrophobicContact CD2-CG 4.25Å; L2022-L2066 HydrophobicContact CD1-CB 4.41Å; L2022-L2066 HydrophobicContact CD2-CB 3.53Å; L2022-L2066 HydrophobicContact CD2-CD1 4.08Å; L2022-L2066 HydrophobicContact CD2-CG 4.45Å; L2022-L2066 HydrophobicContact CG-CB 3.87Å; L2022-L2066 HydrophobicContact CG-CD1 4.29Å; L2022-I2067 HydrophobicContact CD2-CG1 3.98Å; L2022-Q2070 VanDerWaalsContact CD1-OE1 3.22Å |
| 2023 | N | 86.8 | Confident | 80.5 | Confident | 100 Ų | 100 | 55.1 Ų | 55.1 | 54% | 0.535 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.6 | -45.5 | 173.4 | -71.6 | -36.3 | 0 | 0 | 0 | 111.6 | S2019 D2020 S2021 Q2026 E2027 | S2019-N2023 WeakPolarHBondContact O-CB 3.39Å; S2019-N2023 PolarHBondContact O-N 3.38Å; S2019-N2023 PolarHBondContact O-ND2 3.27Å; D2020-N2023 PolarHBondContact O-N 3.49Å; S2021-N2023 VanDerWaalsContact C-N 3.35Å; N2023-Q2026 PolarHBondContact O-N 3.3Å; N2023-E2027 PolarHBondContact O-N 3.37Å |
| 2024 | L | 88.9 | Confident | 82.9 | Confident | 27 Ų | 27 | 52.5 Ų | 52.5 | 14% | 0.141 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.1 | -43.1 | 177.4 | -72.3 | 169.1 | 0 | 0 | 0 | 112.4 | D2020 S2021 Q2026 E2027 L2028 W2130 V2134 I2135 C2138 | D2020-L2024 WeakPolarHBondContact O-CG 3.47Å; D2020-L2024 PolarHBondContact O-N 3.32Å; S2021-L2024 PolarHBondContact O-N 3.48Å; L2024-Q2026 VanDerWaalsContact C-N 3.29Å; L2024-Q2026 PolarHBondContact O-N 2.95Å; L2024-E2027 PolarHBondContact O-N 3.2Å; L2024-L2028 PolarHBondContact O-N 2.76Å; L2024-W2130 HydrophobicContact CB-CH2 4.3Å; L2024-W2130 WeakPolarHBondContact O-CH2 3.16Å; L2024-V2134 HydrophobicContact CD2-CG1 4Å; L2024-I2135 HydrophobicContact CB-CD1 4.44Å; L2024-I2135 HydrophobicContact CB-CG1 4.41Å; L2024-I2135 HydrophobicContact CD1-CG1 4.31Å; L2024-C2138 HydrophobicContact CD1-CB 4.12Å |
| 2025 | I | 89.2 | Confident | 84.7 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.7 | -39.1 | 173.2 | -69.9 | -69.9 | 0 | 0 | 0 | 110.6 | S2021 L2022 L2028 F2029 L2059 I2062 Q2063 L2066 L2102 I2135 | S2021-I2025 WeakPolarHBondContact O-CB 3.26Å; S2021-I2025 VanDerWaalsContact O-CG1 3.26Å; S2021-I2025 WeakPolarHBondContact O-CG1 3.39Å; S2021-I2025 PolarHBondContact O-N 3.03Å; L2022-I2025 PolarHBondContact O-N 2.78Å; I2025-L2028 WeakPolarHBondContact O-CB 3.34Å; I2025-L2028 PolarHBondContact O-N 3Å; I2025-F2029 HydrophobicContact CG2-CD2 3.85Å; I2025-F2029 HydrophobicContact CG2-CE2 3.96Å; I2025-F2029 WeakPolarHBondContact O-CD2 3.41Å; I2025-F2029 PolarHBondContact O-N 2.58Å; I2025-L2059 HydrophobicContact CD1-CD2 4.32Å; I2025-I2062 HydrophobicContact CD1-CG2 4.02Å; I2025-Q2063 HydrophobicContact CG2-CB 4.2Å; I2025-Q2063 HydrophobicContact CG2-CG 4.39Å; I2025-L2066 HydrophobicContact CG1-CD1 4Å; I2025-L2102 HydrophobicContact CD1-CD2 3.98Å; I2025-I2135 HydrophobicContact CD1-CD1 4.49Å |
| 2026 | Q | 87.9 | Confident | 86.2 | Confident | 124 Ų | 124 | 60.4 Ų | 60.4 | 58% | 0.579 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -71.2 | -32.8 | 177.6 | -170.6 | 164.1 | -9.6 | 0 | 0 | 112.9 | L2022 N2023 L2024 F2029 S2030 | L2022-Q2026 VanDerWaalsContact O-CB 3.25Å; L2022-Q2026 WeakPolarHBondContact O-CB 3.3Å; L2022-Q2026 PolarHBondContact O-N 2.7Å; N2023-Q2026 PolarHBondContact O-N 3.3Å; L2024-Q2026 VanDerWaalsContact C-N 3.29Å; L2024-Q2026 PolarHBondContact O-N 2.95Å; Q2026-F2029 PolarHBondContact O-N 3.33Å; Q2026-S2030 PolarHBondContact O-N 3.23Å |
| 2027 | E | 89.1 | Confident | 87.5 | Confident | 113 Ų | 113 | 59.3 Ų | 59.3 | 53% | 0.528 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64 | -45.6 | 168.6 | -174.4 | 173.5 | -179.6 | 0 | 0 | 110.9 | N2023 L2024 F2029 S2030 H2031 | N2023-E2027 PolarHBondContact O-N 3.37Å; L2024-E2027 PolarHBondContact O-N 3.2Å; E2027-F2029 PolarHBondContact O-N 3.46Å; E2027-S2030 WeakPolarHBondContact O-CA 3.41Å; E2027-S2030 WeakPolarHBondContact O-CB 3.15Å; E2027-S2030 PolarHBondContact O-N 3.45Å; E2027-S2030 PolarHBondContact O-OG 2.78Å; E2027-H2031 PolarHBondContact O-N 3.16Å |
| 2028 | L | 89.9 | Confident | 88.1 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.6 | -42.6 | 174.4 | -179.6 | 58.8 | 0 | 0 | 0 | 112 | L2024 I2025 S2030 H2031 S2034 L2059 W2126 L2127 W2130 | L2024-L2028 PolarHBondContact O-N 2.76Å; I2025-L2028 WeakPolarHBondContact O-CB 3.34Å; I2025-L2028 PolarHBondContact O-N 3Å; L2028-S2030 PolarHBondContact O-N 3.47Å; L2028-H2031 PolarHBondContact O-N 2.99Å; L2028-H2031 VanDerWaalsContact O-N 3.16Å; L2028-S2034 WeakPolarHBondContact O-CB 3.46Å; L2028-S2034 PolarHBondContact O-OG 3.4Å; L2028-L2059 HydrophobicContact CD2-CD1 3.7Å; L2028-L2059 HydrophobicContact CD2-CD2 3.56Å; L2028-L2059 HydrophobicContact CD2-CG 4.29Å; L2028-L2059 HydrophobicContact CG-CD1 3.83Å; L2028-W2126 HydrophobicContact CD1-CH2 3.51Å; L2028-W2126 HydrophobicContact CD1-CZ3 3.74Å; L2028-L2127 HydrophobicContact CD1-CD1 3.92Å; L2028-L2127 HydrophobicContact CD2-CD1 3.87Å; L2028-W2130 HydrophobicContact CB-CH2 3.75Å; L2028-W2130 HydrophobicContact CB-CZ2 4.29Å; L2028-W2130 HydrophobicContact CB-CZ3 3.87Å; L2028-W2130 HydrophobicContact CD1-CD2 4.3Å; L2028-W2130 HydrophobicContact CD1-CE3 3.99Å; L2028-W2130 HydrophobicContact CD1-CZ3 4.15Å; L2028-W2130 HydrophobicContact CD2-CE3 4.08Å; L2028-W2130 HydrophobicContact CD2-CH2 4.41Å; L2028-W2130 HydrophobicContact CD2-CZ3 3.67Å; L2028-W2130 HydrophobicContact CG-CE3 4.43Å; L2028-W2130 HydrophobicContact CG-CH2 4.47Å; L2028-W2130 HydrophobicContact CG-CZ3 4.1Å |
| 2029 | F | 89.9 | Confident | 88.5 | Confident | 44 Ų | 44 | 67.8 Ų | 67.8 | 19% | 0.193 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.3 | -25.7 | 172.3 | -97.7 | -75.7 | 0 | 0 | 0 | 113.6 | I2025 Q2026 E2027 R2038 L2059 Q2063 | I2025-F2029 HydrophobicContact CG2-CD2 3.85Å; I2025-F2029 HydrophobicContact CG2-CE2 3.96Å; I2025-F2029 WeakPolarHBondContact O-CD2 3.41Å; I2025-F2029 PolarHBondContact O-N 2.58Å; Q2026-F2029 PolarHBondContact O-N 3.33Å; E2027-F2029 PolarHBondContact O-N 3.46Å; F2029-R2038 HydrophobicContact CD1-CB 4.22Å; F2029-R2038 HydrophobicContact CD1-CG 3.85Å; F2029-R2038 HydrophobicContact CE1-CB 3.75Å; F2029-R2038 HydrophobicContact CE1-CG 3.89Å; F2029-R2038 WeakPolarHBondContact CE1-O 3.18Å; F2029-R2038 WeakPolarHBondContact CZ-O 3.43Å; F2029-R2038 PolarHBondContact O-NE 3.27Å; F2029-R2038 PolarHBondContact O-NH1 3.05Å; F2029-R2038 PolarHBondContact O-NH2 2.98Å; F2029-L2059 HydrophobicContact CD2-CB 4.33Å; F2029-L2059 HydrophobicContact CE1-CB 4.41Å; F2029-L2059 HydrophobicContact CE2-CB 3.59Å; F2029-L2059 WeakPolarHBondContact CE2-O 3.29Å; F2029-L2059 HydrophobicContact CZ-CB 3.63Å; F2029-Q2063 HydrophobicContact CE2-CB 4.27Å |
| 2030 | S | 87.1 | Confident | 88.8 | Confident | 91 Ų | 91 | 69.4 Ų | 69.4 | 64% | 0.636 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -79.6 | -31.5 | 175.2 | 83.2 | 0 | 0 | 0 | 0 | 112.9 | Q2026 E2027 L2028 | Q2026-S2030 PolarHBondContact O-N 3.23Å; E2027-S2030 WeakPolarHBondContact O-CA 3.41Å; E2027-S2030 WeakPolarHBondContact O-CB 3.15Å; E2027-S2030 PolarHBondContact O-N 3.45Å; E2027-S2030 PolarHBondContact O-OG 2.78Å; L2028-S2030 PolarHBondContact O-N 3.47Å |
| 2031 | H | 89.9 | Confident | 88.9 | Confident | 76 Ų | 76 | 69.1 Ų | 69.1 | 35% | 0.352 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -69.6 | 131.5 | -171.8 | -167.9 | -101.8 | 0 | 0 | 0 | 113 | E2027 L2028 R2033 S2034 R2038 W2126 | E2027-H2031 PolarHBondContact O-N 3.16Å; L2028-H2031 PolarHBondContact O-N 2.99Å; L2028-H2031 VanDerWaalsContact O-N 3.16Å; H2031-R2033 VanDerWaalsContact C-N 3.3Å; H2031-R2033 PolarHBondContact ND1-N 2.75Å; H2031-R2033 PolarHBondContact O-N 2.67Å; H2031-S2034 PolarHBondContact O-N 3.04Å; H2031-S2034 PolarHBondContact O-OG 3.27Å; H2031-R2038 PolarHBondContact O-NH2 2.87Å; H2031-W2126 HydrophobicContact CB-CH2 3.97Å; H2031-W2126 HydrophobicContact CB-CZ2 4.4Å; H2031-W2126 AromaticContact CE1-CE2 3.38Å; H2031-W2126 AromaticContact CE1-CH2 3.78Å; H2031-W2126 AromaticContact CE1-CZ2 3.24Å; H2031-W2126 WeakPolarHBondContact CE1-CZ2 3.31Å; H2031-W2126 AromaticContact CE1-NE1 3.78Å; H2031-W2126 AromaticContact CG-CH2 3.63Å; H2031-W2126 AromaticContact CG-CZ2 3.64Å; H2031-W2126 AromaticContact ND1-CE2 3.57Å; H2031-W2126 AromaticContact ND1-CH2 3.05Å; H2031-W2126 WeakPolarHBondContact ND1-CH2 3.27Å; H2031-W2126 AromaticContact ND1-CZ2 3.03Å; H2031-W2126 WeakPolarHBondContact ND1-CZ2 3.34Å; H2031-W2126 AromaticContact ND1-CZ3 3.6Å; H2031-W2126 AromaticContact NE2-CZ2 3.97Å |
| 2032 | R | 90.1 | Very high | 88.6 | Confident | 226 Ų | 226 | 72.6 Ų | 72.6 | 85% | 0.853 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -56.4 | -40 | -171.4 | -169.1 | -179.4 | -176.6 | -165.3 | 0.4 | 113.6 | S2034 F2035 | R2032-S2034 PolarHBondContact O-N 3.04Å; R2032-F2035 PolarHBondContact O-N 3.11Å |
| 2033 | R | 90.9 | Very high | 88.1 | Confident | 67 Ų | 67 | 75 Ų | 75 | 25% | 0.253 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -72.5 | -8.1 | -177.7 | -55.6 | -170.3 | 78 | 163.4 | 13.8 | 114.4 | H2031 F2035 D2122 D2123 W2126 | H2031-R2033 VanDerWaalsContact C-N 3.3Å; H2031-R2033 PolarHBondContact ND1-N 2.75Å; H2031-R2033 PolarHBondContact O-N 2.67Å; R2033-F2035 VanDerWaalsContact C-N 3.26Å; R2033-F2035 PolarHBondContact O-N 2.7Å; R2033-D2122 IonicContact CZ-OD2 3.49Å; R2033-D2122 IonicContact NH1-OD2 3.87Å; R2033-D2122 PolarHBondContact NH2-O 2.96Å; R2033-D2122 VanDerWaalsContact NH2-O 3.13Å; R2033-D2122 IonicContact NH2-OD2 3.18Å; R2033-D2122 PolarHBondContact NH2-OD2 2.91Å; R2033-D2123 WeakPolarHBondContact CA-OD2 3.4Å; R2033-D2123 HydrophobicContact CB-CB 4.35Å; R2033-D2123 IonicContact CZ-OD1 2.77Å; R2033-D2123 IonicContact NE-OD1 3.68Å; R2033-D2123 PolarHBondContact NE-OD1 3.26Å; R2033-D2123 IonicContact NH2-OD1 3.87Å; R2033-D2123 PolarHBondContact NH2-OD1 2.92Å; R2033-W2126 HydrophobicContact CB-CD2 3.82Å; R2033-W2126 HydrophobicContact CB-CE3 3.52Å; R2033-W2126 HydrophobicContact CB-CG 4.36Å; R2033-W2126 HydrophobicContact CB-CZ3 4.02Å; R2033-W2126 HydrophobicContact CG-CD2 4.43Å |
| 2034 | S | 90.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 77.7 Ų | 77.7 | 0% | 0 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -80.2 | -7.2 | 176.6 | 69.3 | 0 | 0 | 0 | 0 | 113.9 | L2028 H2031 R2032 Y2036 F2037 R2038 | L2028-S2034 WeakPolarHBondContact O-CB 3.46Å; L2028-S2034 PolarHBondContact O-OG 3.4Å; H2031-S2034 PolarHBondContact O-N 3.04Å; H2031-S2034 PolarHBondContact O-OG 3.27Å; R2032-S2034 PolarHBondContact O-N 3.04Å; S2034-Y2036 VanDerWaalsContact C-N 3.34Å; S2034-Y2036 PolarHBondContact O-N 3.16Å; S2034-Y2036 VanDerWaalsContact O-N 3.12Å; S2034-F2037 WeakPolarHBondContact O-CD2 3.31Å; S2034-F2037 PolarHBondContact O-N 3.05Å; S2034-R2038 WeakPolarHBondContact O-CG 3.47Å; S2034-R2038 PolarHBondContact OG-NE 3.49Å; S2034-R2038 PolarHBondContact OG-NH2 3.49Å; S2034-R2038 VanDerWaalsContact OG-NH2 3.14Å |
| 2035 | F | 88.7 | Confident | 87.2 | Confident | 133 Ų | 133 | 83.2 Ų | 83.2 | 58% | 0.583 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -41.9 | -53 | -166.9 | 178.8 | -102.7 | 0 | 0 | 0 | 114.4 | R2032 R2033 F2037 R2038 | R2032-F2035 PolarHBondContact O-N 3.11Å; R2033-F2035 VanDerWaalsContact C-N 3.26Å; R2033-F2035 PolarHBondContact O-N 2.7Å; F2035-F2037 PolarHBondContact O-N 3.07Å; F2035-R2038 PolarHBondContact O-N 3.42Å |
| 2036 | Y | 86.9 | Confident | 87.1 | Confident | 98 Ų | 98 | 88.1 Ų | 88.1 | 38% | 0.384 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -67.2 | -18.2 | -175.2 | -54.6 | -76.6 | 0 | 0 | 0 | 114.7 | S2034 V2120 | S2034-Y2036 VanDerWaalsContact C-N 3.34Å; S2034-Y2036 PolarHBondContact O-N 3.16Å; S2034-Y2036 VanDerWaalsContact O-N 3.12Å; Y2036-V2120 HydrophobicContact CD1-CG2 4.09Å; Y2036-V2120 HydrophobicContact CD2-CG1 4.29Å; Y2036-V2120 HydrophobicContact CD2-CG2 4.23Å; Y2036-V2120 HydrophobicContact CE1-CG2 3.85Å; Y2036-V2120 HydrophobicContact CE2-CG2 4.01Å; Y2036-V2120 HydrophobicContact CG-CG1 4.19Å; Y2036-V2120 HydrophobicContact CG-CG2 4.28Å |
| 2037 | F | 92.8 | Very high | 86.7 | Confident | 13 Ų | 13 | 86.9 Ų | 86.9 | 6% | 0.057 | 42% | 0.423 | C | S | . | . | G | 310 helix | trans | -103.6 | 1.2 | -173.3 | -40.6 | -64.5 | 0 | 0 | 0 | 113.3 | S2034 F2035 L2059 I2105 A2109 D2123 T2124 L2127 | S2034-F2037 WeakPolarHBondContact O-CD2 3.31Å; S2034-F2037 PolarHBondContact O-N 3.05Å; F2035-F2037 PolarHBondContact O-N 3.07Å; F2037-L2059 HydrophobicContact CB-CD1 4.19Å; F2037-L2059 HydrophobicContact CB-CG 4.36Å; F2037-L2059 WeakPolarHBondContact O-CB 3.47Å; F2037-L2059 WeakPolarHBondContact O-CG 3.5Å; F2037-L2059 PolarHBondContact O-N 3.27Å; F2037-I2105 HydrophobicContact CB-CG2 3.94Å; F2037-I2105 HydrophobicContact CD1-CG2 3.99Å; F2037-I2105 HydrophobicContact CG-CG2 4.14Å; F2037-A2109 HydrophobicContact CD1-CB 4.36Å; F2037-A2109 HydrophobicContact CE1-CB 3.72Å; F2037-D2123 HydrophobicContact CE2-CB 4.44Å; F2037-T2124 WeakPolarHBondContact CZ-OG1 3.47Å; F2037-L2127 HydrophobicContact CB-CD2 4.47Å; F2037-L2127 HydrophobicContact CD1-CD2 4.29Å; F2037-L2127 HydrophobicContact CD2-CD2 3.74Å; F2037-L2127 HydrophobicContact CE2-CB 4.2Å; F2037-L2127 HydrophobicContact CE2-CD2 4.02Å; F2037-L2127 HydrophobicContact CG-CD2 3.89Å; F2037-L2127 HydrophobicContact CZ-CD2 4.42Å |
| 2038 | R | 92.4 | Very high | 86.3 | Confident | 61 Ų | 61 | 85.1 Ų | 85.1 | 23% | 0.23 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -77 | -26.7 | -168.5 | -73.2 | 176.7 | -173.9 | -164.8 | -0.1 | 115.1 | F2029 H2031 S2034 F2035 S2060 | F2029-R2038 HydrophobicContact CD1-CB 4.22Å; F2029-R2038 HydrophobicContact CD1-CG 3.85Å; F2029-R2038 HydrophobicContact CE1-CB 3.75Å; F2029-R2038 HydrophobicContact CE1-CG 3.89Å; F2029-R2038 WeakPolarHBondContact CE1-O 3.18Å; F2029-R2038 WeakPolarHBondContact CZ-O 3.43Å; F2029-R2038 PolarHBondContact O-NE 3.27Å; F2029-R2038 PolarHBondContact O-NH1 3.05Å; F2029-R2038 PolarHBondContact O-NH2 2.98Å; H2031-R2038 PolarHBondContact O-NH2 2.87Å; S2034-R2038 WeakPolarHBondContact O-CG 3.47Å; S2034-R2038 PolarHBondContact OG-NE 3.49Å; S2034-R2038 PolarHBondContact OG-NH2 3.49Å; S2034-R2038 VanDerWaalsContact OG-NH2 3.14Å; F2035-R2038 PolarHBondContact O-N 3.42Å; R2038-S2060 WeakPolarHBondContact O-CB 3.45Å; R2038-S2060 PolarHBondContact O-N 3.41Å |
| 2039 | L | 90.9 | Very high | 86.3 | Confident | 119 Ų | 119 | 85.9 Ų | 85.9 | 62% | 0.623 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -136.2 | 158.4 | -172 | -65 | 175 | 0 | 0 | 0 | 109.3 | ||
| 2040 | P | 88.7 | Confident | 86 | Confident | 79 Ų | 79 | 88.2 Ų | 88.2 | 51% | 0.513 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 137.7 | 167.4 | -15.8 | 29.9 | 0 | 0 | 0 | 109.7 | D2058 | P2040-D2058 WeakPolarHBondContact CD-OD2 3.33Š|
| 2041 | I | 84.2 | Confident | 85.6 | Confident | 57 Ų | 57 | 88.7 Ų | 88.7 | 29% | 0.292 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 131.8 | 177.6 | -72.5 | 164.8 | 0 | 0 | 0 | 109.4 | P2043 Y2046 Y2049 | I2041-P2043 WeakPolarHBondContact O-CD 3.41Å; I2041-Y2046 HydrophobicContact CG2-CD2 3.54Å; I2041-Y2046 HydrophobicContact CG2-CE2 4.4Å; I2041-Y2046 HydrophobicContact CG2-CG 3.92Å; I2041-Y2049 HydrophobicContact CB-CD1 4.41Å; I2041-Y2049 HydrophobicContact CB-CE1 4.45Å; I2041-Y2049 HydrophobicContact CD1-CD2 3.94Å; I2041-Y2049 HydrophobicContact CD1-CE1 4.16Å; I2041-Y2049 HydrophobicContact CD1-CE2 3.39Å; I2041-Y2049 HydrophobicContact CG2-CD1 4.3Å; I2041-Y2049 HydrophobicContact CG2-CD2 4.21Å; I2041-Y2049 HydrophobicContact CG2-CG 4.01Å |
| 2042 | D | 79.5 | Confident | 85.5 | Confident | 79 Ų | 79 | 88.8 Ų | 88.8 | 42% | 0.422 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -73.9 | 121.2 | -178.4 | -164.3 | -32.4 | 0 | 0 | 0 | 110.5 | L2044 E2045 Y2046 | D2042-L2044 PolarHBondContact O-N 3.28Å; D2042-L2044 VanDerWaalsContact O-N 3.09Å; D2042-L2044 VanDerWaalsContact OD1-CB 3.3Å; D2042-L2044 WeakPolarHBondContact OD1-CB 3.27Å; D2042-L2044 WeakPolarHBondContact OD1-CG 3.4Å; D2042-L2044 PolarHBondContact OD1-N 2.97Å; D2042-E2045 PolarHBondContact O-N 3.22Å; D2042-E2045 VanDerWaalsContact O-N 3.14Å; D2042-Y2046 PolarHBondContact O-N 3.41Å |
| 2043 | P | 76 | Confident | 85.4 | Confident | 68 Ų | 68 | 78.2 Ų | 78.2 | 44% | 0.442 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -13.2 | 174.5 | -17 | 28.3 | 0 | 0 | 0 | 114.3 | I2041 P2047 | I2041-P2043 WeakPolarHBondContact O-CD 3.41Å; P2043-P2047 WeakPolarHBondContact O-CA 3.44Å |
| 2044 | L | 78 | Confident | 85.3 | Confident | 157 Ų | 157 | 82.3 Ų | 82.3 | 82% | 0.822 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -28.1 | 176.3 | -61 | 172.6 | 0 | 0 | 0 | 113 | D2042 | D2042-L2044 PolarHBondContact O-N 3.28Å; D2042-L2044 VanDerWaalsContact O-N 3.09Å; D2042-L2044 VanDerWaalsContact OD1-CB 3.3Å; D2042-L2044 WeakPolarHBondContact OD1-CB 3.27Å; D2042-L2044 WeakPolarHBondContact OD1-CG 3.4Å; D2042-L2044 PolarHBondContact OD1-N 2.97Å |
| 2045 | E | 79.8 | Confident | 85.2 | Confident | 143 Ų | 143 | 89.1 Ų | 89.1 | 67% | 0.668 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -33.8 | 171.1 | -69.9 | -168 | 157.8 | 0 | 0 | 111.7 | D2042 | D2042-E2045 PolarHBondContact O-N 3.22Å; D2042-E2045 VanDerWaalsContact O-N 3.14Å |
| 2046 | Y | 85.2 | Confident | 85.2 | Confident | 103 Ų | 103 | 85.8 Ų | 85.8 | 40% | 0.404 | 44% | 0.437 | S | S | . | . | trans | -131.8 | 74.4 | -176.3 | -53.3 | -90.8 | 0 | 0 | 0 | 110.8 | I2041 D2042 D2048 Y2049 Y2112 | I2041-Y2046 HydrophobicContact CG2-CD2 3.54Å; I2041-Y2046 HydrophobicContact CG2-CE2 4.4Å; I2041-Y2046 HydrophobicContact CG2-CG 3.92Å; D2042-Y2046 PolarHBondContact O-N 3.41Å; Y2046-D2048 VanDerWaalsContact C-N 3.27Å; Y2046-D2048 PolarHBondContact O-N 3.07Å; Y2046-Y2049 VanDerWaalsContact O-CB 3.26Å; Y2046-Y2049 WeakPolarHBondContact O-CB 3.46Å; Y2046-Y2049 PolarHBondContact O-N 2.87Å; Y2046-Y2049 VanDerWaalsContact O-N 3.13Å; Y2046-Y2112 HydrophobicContact CD1-CE1 4.44Å | ||
| 2047 | P | 79.8 | Confident | 85.5 | Confident | 98 Ų | 98 | 82.8 Ų | 82.8 | 64% | 0.636 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -24.7 | -172.9 | 27.5 | -35.5 | 0 | 0 | 0 | 113.9 | P2043 | P2043-P2047 WeakPolarHBondContact O-CA 3.44Š|
| 2048 | D | 82 | Confident | 85.6 | Confident | 76 Ų | 76 | 82.5 Ų | 82.5 | 41% | 0.406 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -18.5 | 174.2 | 53.9 | -30 | 0 | 0 | 0 | 113.6 | Y2046 H2050 S2051 I2052 Y2112 | Y2046-D2048 VanDerWaalsContact C-N 3.27Å; Y2046-D2048 PolarHBondContact O-N 3.07Å; D2048-H2050 VanDerWaalsContact C-N 3.25Å; D2048-H2050 PolarHBondContact O-N 3.39Å; D2048-S2051 PolarHBondContact O-N 3Å; D2048-S2051 PolarHBondContact O-OG 2.82Å; D2048-I2052 PolarHBondContact O-N 2.81Å; D2048-Y2112 PolarHBondContact OD1-OH 2.7Å; D2048-Y2112 PolarHBondContact OD2-OH 3.46Å |
| 2049 | Y | 88.3 | Confident | 85.6 | Confident | 15 Ų | 15 | 79.6 Ų | 79.6 | 6% | 0.059 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -55.2 | -40.9 | 179.5 | -168.2 | -91.3 | 0 | 0 | 0 | 112.8 | I2041 Y2046 S2051 I2052 I2053 P2056 Y2112 | I2041-Y2049 HydrophobicContact CB-CD1 4.41Å; I2041-Y2049 HydrophobicContact CB-CE1 4.45Å; I2041-Y2049 HydrophobicContact CD1-CD2 3.94Å; I2041-Y2049 HydrophobicContact CD1-CE1 4.16Å; I2041-Y2049 HydrophobicContact CD1-CE2 3.39Å; I2041-Y2049 HydrophobicContact CG2-CD1 4.3Å; I2041-Y2049 HydrophobicContact CG2-CD2 4.21Å; I2041-Y2049 HydrophobicContact CG2-CG 4.01Å; Y2046-Y2049 VanDerWaalsContact O-CB 3.26Å; Y2046-Y2049 WeakPolarHBondContact O-CB 3.46Å; Y2046-Y2049 PolarHBondContact O-N 2.87Å; Y2046-Y2049 VanDerWaalsContact O-N 3.13Å; Y2049-S2051 VanDerWaalsContact C-N 3.33Å; Y2049-S2051 PolarHBondContact O-N 3.14Å; Y2049-I2052 PolarHBondContact O-N 3.33Å; Y2049-I2053 HydrophobicContact CD1-CB 4.17Å; Y2049-I2053 HydrophobicContact CD1-CG1 4.23Å; Y2049-I2053 HydrophobicContact CD2-CG1 4.23Å; Y2049-I2053 HydrophobicContact CE1-CB 3.78Å; Y2049-I2053 HydrophobicContact CE1-CG1 3.82Å; Y2049-I2053 HydrophobicContact CE1-CG2 3.87Å; Y2049-I2053 HydrophobicContact CE2-CG1 3.82Å; Y2049-I2053 HydrophobicContact CG-CG1 4.41Å; Y2049-I2053 WeakPolarHBondContact O-CB 3.46Å; Y2049-I2053 PolarHBondContact O-N 2.81Å; Y2049-P2056 HydrophobicContact CE1-CB 4.29Å; Y2049-Y2112 HydrophobicContact CD2-CD1 4.01Å; Y2049-Y2112 AromaticContact CD2-CD2 3.51Å; Y2049-Y2112 HydrophobicContact CD2-CD2 3.51Å; Y2049-Y2112 HydrophobicContact CD2-CE1 4.09Å; Y2049-Y2112 AromaticContact CD2-CE2 3.6Å; Y2049-Y2112 HydrophobicContact CD2-CE2 3.6Å; Y2049-Y2112 AromaticContact CD2-CG 3.71Å; Y2049-Y2112 HydrophobicContact CD2-CG 3.71Å; Y2049-Y2112 AromaticContact CD2-CZ 3.89Å; Y2049-Y2112 HydrophobicContact CE2-CD1 4.21Å; Y2049-Y2112 HydrophobicContact CE2-CD2 4Å; Y2049-Y2112 AromaticContact CE2-CG 3.83Å; Y2049-Y2112 HydrophobicContact CE2-CG 3.83Å; Y2049-Y2112 HydrophobicContact CG-CD2 4.37Å; Y2049-Y2112 HydrophobicContact CG-CE2 4.24Å |
| 2050 | H | 84.1 | Confident | 85.7 | Confident | 94 Ų | 94 | 74.3 Ų | 74.3 | 44% | 0.435 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -82 | -4.5 | -178.9 | -73.3 | 78.7 | 0 | 0 | 0 | 114.4 | D2048 | D2048-H2050 VanDerWaalsContact C-N 3.25Å; D2048-H2050 PolarHBondContact O-N 3.39Å |
| 2051 | S | 79.8 | Confident | 85.9 | Confident | 101 Ų | 101 | 72.6 Ų | 72.6 | 71% | 0.706 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -92.5 | -21.6 | 167.6 | 72.4 | 0 | 0 | 0 | 0 | 112.4 | D2048 Y2049 | D2048-S2051 PolarHBondContact O-N 3Å; D2048-S2051 PolarHBondContact O-OG 2.82Å; Y2049-S2051 VanDerWaalsContact C-N 3.33Å; Y2049-S2051 PolarHBondContact O-N 3.14Å |
| 2052 | I | 87.5 | Confident | 86.3 | Confident | 78 Ų | 78 | 69.9 Ų | 69.9 | 40% | 0.4 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -96.4 | -37.1 | 180 | -62 | 168.3 | 0 | 0 | 0 | 111.9 | D2048 Y2049 L2111 Y2112 | D2048-I2052 PolarHBondContact O-N 2.81Å; Y2049-I2052 PolarHBondContact O-N 3.33Å; I2052-L2111 HydrophobicContact CG2-CD2 4.45Å; I2052-Y2112 HydrophobicContact CB-CD2 4.36Å; I2052-Y2112 HydrophobicContact CD1-CD2 4.07Å; I2052-Y2112 HydrophobicContact CD1-CE2 3.95Å; I2052-Y2112 HydrophobicContact CG2-CD2 4.31Å |
| 2053 | I | 88.7 | Confident | 86.9 | Confident | 3 Ų | 3 | 68.7 Ų | 68.7 | 2% | 0.015 | 35% | 0.354 | C | S | . | . | trans | -108.8 | 103.3 | -173.3 | -56.7 | -64.1 | 0 | 0 | 0 | 111.2 | Y2049 R2055 N2108 L2111 | Y2049-I2053 HydrophobicContact CD1-CB 4.17Å; Y2049-I2053 HydrophobicContact CD1-CG1 4.23Å; Y2049-I2053 HydrophobicContact CD2-CG1 4.23Å; Y2049-I2053 HydrophobicContact CE1-CB 3.78Å; Y2049-I2053 HydrophobicContact CE1-CG1 3.82Å; Y2049-I2053 HydrophobicContact CE1-CG2 3.87Å; Y2049-I2053 HydrophobicContact CE2-CG1 3.82Å; Y2049-I2053 HydrophobicContact CG-CG1 4.41Å; Y2049-I2053 WeakPolarHBondContact O-CB 3.46Å; Y2049-I2053 PolarHBondContact O-N 2.81Å; I2053-R2055 VanDerWaalsContact C-N 3.32Å; I2053-R2055 PolarHBondContact O-N 3.45Å; I2053-N2108 HydrophobicContact CD1-CB 4.14Å; I2053-N2108 HydrophobicContact CG2-CB 4.21Å; I2053-L2111 HydrophobicContact CD1-CB 3.99Å; I2053-L2111 HydrophobicContact CD1-CD2 3.85Å; I2053-L2111 HydrophobicContact CD1-CG 4.34Å | ||
| 2054 | E | 87.2 | Confident | 87.5 | Confident | 153 Ų | 153 | 70.7 Ų | 70.7 | 72% | 0.715 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -63.7 | -34.4 | 178.8 | -167.5 | -154.1 | 125.4 | 0 | 0 | 112.9 | ||
| 2055 | R | 88.5 | Confident | 88.1 | Confident | 144 Ų | 144 | 66.5 Ų | 66.5 | 54% | 0.543 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -131.1 | 74.7 | -170.8 | -62 | -174.3 | -167.3 | 162 | 14 | 111.9 | I2053 M2057 L2104 N2108 | I2053-R2055 VanDerWaalsContact C-N 3.32Å; I2053-R2055 PolarHBondContact O-N 3.45Å; R2055-M2057 PolarHBondContact O-N 3.22Å; R2055-L2104 HydrophobicContact CB-CD2 4.21Å; R2055-N2108 PolarHBondContact O-ND2 3.48Å |
| 2056 | P | 89.5 | Confident | 88.4 | Confident | 62 Ų | 62 | 59.7 Ų | 59.7 | 40% | 0.403 | 30% | 0.299 | S | S | . | . | trans | -56.4 | 137.4 | 173.9 | 23.6 | -33.9 | 0 | 0 | 0 | 111.2 | Y2049 | Y2049-P2056 HydrophobicContact CE1-CB 4.29Š| ||
| 2057 | M | 92.6 | Very high | 88.4 | Confident | 35 Ų | 35 | 58.5 Ų | 58.5 | 17% | 0.172 | 30% | 0.299 | C | S | . | . | trans | -146.5 | 144.9 | 178.8 | -165.1 | 60 | 56.9 | 0 | 0 | 108.3 | R2055 I2062 D2101 L2104 I2105 | R2055-M2057 PolarHBondContact O-N 3.22Å; M2057-I2062 HydrophobicContact CG-CD1 4.4Å; M2057-I2062 HydrophobicContact CG-CG1 4.38Å; M2057-I2062 HydrophobicContact SD-CG1 4.31Å; M2057-D2101 WeakPolarHBondContact CE-OD1 3.46Å; M2057-D2101 HydrophobicContact CG-CB 4.18Å; M2057-D2101 HydrophobicContact SD-CB 4.28Å; M2057-L2104 HydrophobicContact CB-CD2 4.03Å; M2057-L2104 HydrophobicContact CB-CG 4.16Å; M2057-L2104 HydrophobicContact CE-CD2 4.04Å; M2057-L2104 HydrophobicContact CG-CD2 4.42Å; M2057-I2105 HydrophobicContact CB-CG1 4.01Å; M2057-I2105 HydrophobicContact CG-CD1 4.47Å; M2057-I2105 HydrophobicContact CG-CG1 3.97Å | ||
| 2058 | D | 94.1 | Very high | 88.5 | Confident | 7 Ų | 7 | 58.7 Ų | 58.7 | 4% | 0.037 | 30% | 0.295 | C | S | . | . | trans | -149.7 | 161.9 | -176.1 | 74.8 | -71 | 0 | 0 | 0 | 111.4 | P2040 S2060 T2061 I2062 | P2040-D2058 WeakPolarHBondContact CD-OD2 3.33Å; D2058-S2060 PolarHBondContact O-N 2.98Å; D2058-S2060 VanDerWaalsContact OD2-CA 3.28Å; D2058-S2060 WeakPolarHBondContact OD2-CA 3.41Å; D2058-S2060 WeakPolarHBondContact OD2-CB 3.34Å; D2058-S2060 PolarHBondContact OD2-N 3.03Å; D2058-S2060 PolarHBondContact OD2-OG 2.97Å; D2058-T2061 PolarHBondContact N-OG1 2.71Å; D2058-T2061 PolarHBondContact O-N 3.45Å; D2058-T2061 PolarHBondContact O-OG1 3.42Å; D2058-T2061 VanDerWaalsContact OD1-CB 3.27Å; D2058-T2061 WeakPolarHBondContact OD1-CB 3.45Å; D2058-T2061 WeakPolarHBondContact OD1-CG2 3.47Å; D2058-T2061 PolarHBondContact OD1-N 3.33Å; D2058-T2061 PolarHBondContact OD1-OG1 3.45Å; D2058-T2061 PolarHBondContact OD2-N 2.84Å; D2058-I2062 PolarHBondContact O-N 3.13Å; D2058-I2062 VanDerWaalsContact O-N 3.14Å | ||
| 2059 | L | 94.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.5 | -26.5 | -177.6 | -63.1 | 173.3 | 0 | 0 | 0 | 112.9 | I2025 L2028 F2029 F2037 Q2063 L2102 I2105 | I2025-L2059 HydrophobicContact CD1-CD2 4.32Å; L2028-L2059 HydrophobicContact CD2-CD1 3.7Å; L2028-L2059 HydrophobicContact CD2-CD2 3.56Å; L2028-L2059 HydrophobicContact CD2-CG 4.29Å; L2028-L2059 HydrophobicContact CG-CD1 3.83Å; F2029-L2059 HydrophobicContact CD2-CB 4.33Å; F2029-L2059 HydrophobicContact CE1-CB 4.41Å; F2029-L2059 HydrophobicContact CE2-CB 3.59Å; F2029-L2059 WeakPolarHBondContact CE2-O 3.29Å; F2029-L2059 HydrophobicContact CZ-CB 3.63Å; F2037-L2059 HydrophobicContact CB-CD1 4.19Å; F2037-L2059 HydrophobicContact CB-CG 4.36Å; F2037-L2059 WeakPolarHBondContact O-CB 3.47Å; F2037-L2059 WeakPolarHBondContact O-CG 3.5Å; F2037-L2059 PolarHBondContact O-N 3.27Å; L2059-Q2063 VanDerWaalsContact O-CB 3.3Å; L2059-Q2063 WeakPolarHBondContact O-CB 3.3Å; L2059-Q2063 PolarHBondContact O-N 3.21Å; L2059-L2102 HydrophobicContact CD2-CD2 3.95Å; L2059-I2105 HydrophobicContact CD2-CD1 3.81Å; L2059-I2105 HydrophobicContact CG-CD1 4.16Å |
| 2060 | S | 92.2 | Very high | 87.8 | Confident | 8 Ų | 8 | 57.7 Ų | 57.7 | 6% | 0.056 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -75 | -32.8 | 177.1 | 89 | 0 | 0 | 0 | 0 | 112.4 | R2038 D2058 K2064 | R2038-S2060 WeakPolarHBondContact O-CB 3.45Å; R2038-S2060 PolarHBondContact O-N 3.41Å; D2058-S2060 PolarHBondContact O-N 2.98Å; D2058-S2060 VanDerWaalsContact OD2-CA 3.28Å; D2058-S2060 WeakPolarHBondContact OD2-CA 3.41Å; D2058-S2060 WeakPolarHBondContact OD2-CB 3.34Å; D2058-S2060 PolarHBondContact OD2-N 3.03Å; D2058-S2060 PolarHBondContact OD2-OG 2.97Å; S2060-K2064 WeakPolarHBondContact O-CB 2.97Å; S2060-K2064 WeakPolarHBondContact O-CD 3.27Å; S2060-K2064 WeakPolarHBondContact O-CE 3.38Å; S2060-K2064 WeakPolarHBondContact O-CG 3.4Å; S2060-K2064 PolarHBondContact O-N 3.39Å; S2060-K2064 PolarHBondContact OG-NZ 3.04Å |
| 2061 | T | 92.8 | Very high | 87.1 | Confident | 43 Ų | 43 | 56.4 Ų | 56.4 | 26% | 0.264 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -72 | -39.5 | 173.2 | 47.7 | 0 | 0 | 0 | 0 | 111.5 | D2058 K2064 K2065 | D2058-T2061 PolarHBondContact N-OG1 2.71Å; D2058-T2061 PolarHBondContact O-N 3.45Å; D2058-T2061 PolarHBondContact O-OG1 3.42Å; D2058-T2061 VanDerWaalsContact OD1-CB 3.27Å; D2058-T2061 WeakPolarHBondContact OD1-CB 3.45Å; D2058-T2061 WeakPolarHBondContact OD1-CG2 3.47Å; D2058-T2061 PolarHBondContact OD1-N 3.33Å; D2058-T2061 PolarHBondContact OD1-OG1 3.45Å; D2058-T2061 PolarHBondContact OD2-N 2.84Å; T2061-K2064 PolarHBondContact O-N 2.87Å; T2061-K2065 WeakPolarHBondContact O-CG 3.32Å; T2061-K2065 PolarHBondContact O-N 3.24Å |
| 2062 | I | 92.6 | Very high | 86.1 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.9 | -46.4 | 170.8 | -64.8 | 180 | 0 | 0 | 0 | 111.1 | I2025 M2057 D2058 K2064 K2065 L2066 L2098 D2101 L2102 I2105 | I2025-I2062 HydrophobicContact CD1-CG2 4.02Å; M2057-I2062 HydrophobicContact CG-CD1 4.4Å; M2057-I2062 HydrophobicContact CG-CG1 4.38Å; M2057-I2062 HydrophobicContact SD-CG1 4.31Å; D2058-I2062 PolarHBondContact O-N 3.13Å; D2058-I2062 VanDerWaalsContact O-N 3.14Å; I2062-K2064 VanDerWaalsContact C-N 3.32Å; I2062-K2064 PolarHBondContact O-N 2.98Å; I2062-K2065 WeakPolarHBondContact O-CB 3.44Å; I2062-K2065 PolarHBondContact O-N 3.48Å; I2062-L2066 HydrophobicContact CG2-CD1 4.27Å; I2062-L2066 PolarHBondContact O-N 3.02Å; I2062-L2098 HydrophobicContact CG2-CD1 3.41Å; I2062-L2098 VanDerWaalsContact CG2-CD1 3.41Å; I2062-D2101 HydrophobicContact CD1-CB 3.71Å; I2062-D2101 HydrophobicContact CG1-CB 3.89Å; I2062-L2102 HydrophobicContact CD1-CD2 3.83Å; I2062-L2102 HydrophobicContact CD1-CG 3.98Å; I2062-I2105 HydrophobicContact CD1-CD1 3.54Å; I2062-I2105 HydrophobicContact CD1-CG1 4.41Å |
| 2063 | Q | 91.8 | Very high | 84.8 | Confident | 54 Ų | 54 | 50.5 Ų | 50.5 | 25% | 0.252 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.5 | -40.7 | 177 | -167.1 | -173.6 | 28 | 0 | 0 | 111.9 | L2022 I2025 F2029 L2059 L2066 I2067 | L2022-Q2063 HydrophobicContact CD2-CG 4.25Å; I2025-Q2063 HydrophobicContact CG2-CB 4.2Å; I2025-Q2063 HydrophobicContact CG2-CG 4.39Å; F2029-Q2063 HydrophobicContact CE2-CB 4.27Å; L2059-Q2063 VanDerWaalsContact O-CB 3.3Å; L2059-Q2063 WeakPolarHBondContact O-CB 3.3Å; L2059-Q2063 PolarHBondContact O-N 3.21Å; Q2063-L2066 PolarHBondContact O-N 3.05Å; Q2063-I2067 HydrophobicContact CG-CD1 3.94Å; Q2063-I2067 WeakPolarHBondContact O-CB 3.04Å; Q2063-I2067 VanDerWaalsContact O-CG1 3.29Å; Q2063-I2067 WeakPolarHBondContact O-CG1 3.03Å; Q2063-I2067 PolarHBondContact O-N 3.15Å |
| 2064 | K | 88.5 | Confident | 83.3 | Confident | 111 Ų | 111 | 57.2 Ų | 57.2 | 48% | 0.483 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.5 | -41.1 | 175 | -70 | 156.3 | -164.9 | 151.4 | 0 | 112.1 | S2060 T2061 I2062 I2067 N2068 | S2060-K2064 WeakPolarHBondContact O-CB 2.97Å; S2060-K2064 WeakPolarHBondContact O-CD 3.27Å; S2060-K2064 WeakPolarHBondContact O-CE 3.38Å; S2060-K2064 WeakPolarHBondContact O-CG 3.4Å; S2060-K2064 PolarHBondContact O-N 3.39Å; S2060-K2064 PolarHBondContact OG-NZ 3.04Å; T2061-K2064 PolarHBondContact O-N 2.87Å; I2062-K2064 VanDerWaalsContact C-N 3.32Å; I2062-K2064 PolarHBondContact O-N 2.98Å; K2064-I2067 PolarHBondContact O-N 3.3Å; K2064-N2068 WeakPolarHBondContact O-CB 3.49Å; K2064-N2068 PolarHBondContact O-N 3.12Å; K2064-N2068 PolarHBondContact O-ND2 2.8Å |
| 2065 | K | 90.2 | Very high | 81.3 | Confident | 68 Ų | 68 | 54.4 Ų | 54.4 | 30% | 0.296 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58.5 | -49.1 | 174.1 | -72.6 | 173.2 | 175.9 | 174.1 | 0 | 111 | T2061 I2062 N2068 A2069 Y2093 D2101 | T2061-K2065 WeakPolarHBondContact O-CG 3.32Å; T2061-K2065 PolarHBondContact O-N 3.24Å; I2062-K2065 WeakPolarHBondContact O-CB 3.44Å; I2062-K2065 PolarHBondContact O-N 3.48Å; K2065-N2068 PolarHBondContact O-N 2.93Å; K2065-A2069 PolarHBondContact O-N 3.01Å; K2065-A2069 VanDerWaalsContact O-N 3.08Å; K2065-Y2093 HydrophobicContact CB-CD1 4.11Å; K2065-Y2093 HydrophobicContact CB-CD2 4.38Å; K2065-Y2093 HydrophobicContact CB-CE1 3.89Å; K2065-Y2093 HydrophobicContact CB-CE2 4.21Å; K2065-Y2093 HydrophobicContact CB-CG 4.33Å; K2065-Y2093 HydrophobicContact CD-CD2 4.3Å; K2065-Y2093 HydrophobicContact CD-CE2 3.63Å; K2065-Y2093 HydrophobicContact CG-CE2 4.45Å; K2065-D2101 WeakPolarHBondContact CD-OD2 3.42Å; K2065-D2101 IonicContact NZ-OD1 3.3Å; K2065-D2101 PolarHBondContact NZ-OD1 3.14Å; K2065-D2101 IonicContact NZ-OD2 3.03Å; K2065-D2101 PolarHBondContact NZ-OD2 3.24Å |
| 2066 | L | 87.2 | Confident | 79 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.7 | -43.2 | 177.9 | -74.7 | 169 | 0 | 0 | 0 | 113.5 | W2017 I2018 L2022 I2025 I2062 Q2063 N2068 A2069 Q2070 Y2093 L2098 | W2017-L2066 HydrophobicContact CH2-CD2 4.41Å; W2017-L2066 HydrophobicContact CZ3-CD2 4.13Å; I2018-L2066 HydrophobicContact CG2-CD2 4.29Å; L2022-L2066 HydrophobicContact CD1-CB 4.41Å; L2022-L2066 HydrophobicContact CD2-CB 3.53Å; L2022-L2066 HydrophobicContact CD2-CD1 4.08Å; L2022-L2066 HydrophobicContact CD2-CG 4.45Å; L2022-L2066 HydrophobicContact CG-CB 3.87Å; L2022-L2066 HydrophobicContact CG-CD1 4.29Å; I2025-L2066 HydrophobicContact CG1-CD1 4Å; I2062-L2066 HydrophobicContact CG2-CD1 4.27Å; I2062-L2066 PolarHBondContact O-N 3.02Å; Q2063-L2066 PolarHBondContact O-N 3.05Å; L2066-N2068 VanDerWaalsContact C-N 3.33Å; L2066-N2068 PolarHBondContact O-N 2.81Å; L2066-A2069 PolarHBondContact O-N 3.2Å; L2066-Q2070 PolarHBondContact O-N 3Å; L2066-Y2093 HydrophobicContact CD2-CD1 3.88Å; L2066-Y2093 HydrophobicContact CD2-CE1 3.92Å; L2066-Y2093 HydrophobicContact CG-CD1 4.22Å; L2066-Y2093 HydrophobicContact CG-CE1 3.93Å; L2066-L2098 HydrophobicContact CD1-CD1 4.08Å; L2066-L2098 HydrophobicContact CD1-CD2 4.43Å; L2066-L2098 HydrophobicContact CD2-CD2 4.3Å |
| 2067 | I | 86.1 | Confident | 76.7 | Confident | 78 Ų | 78 | 53 Ų | 53 | 40% | 0.4 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.9 | -39.6 | 177.2 | -71.3 | 169.9 | 0 | 0 | 0 | 110.9 | L2022 Q2063 K2064 Q2070 S2071 | L2022-I2067 HydrophobicContact CD2-CG1 3.98Å; Q2063-I2067 HydrophobicContact CG-CD1 3.94Å; Q2063-I2067 WeakPolarHBondContact O-CB 3.04Å; Q2063-I2067 VanDerWaalsContact O-CG1 3.29Å; Q2063-I2067 WeakPolarHBondContact O-CG1 3.03Å; Q2063-I2067 PolarHBondContact O-N 3.15Å; K2064-I2067 PolarHBondContact O-N 3.3Å; I2067-Q2070 PolarHBondContact O-N 3.17Å; I2067-S2071 WeakPolarHBondContact O-CB 3.46Å; I2067-S2071 PolarHBondContact O-N 3.19Å |
| 2068 | N | 80.2 | Confident | 74.3 | Confident | 102 Ų | 102 | 54.8 Ų | 54.8 | 55% | 0.545 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.2 | -49.1 | 175.4 | -72.2 | -14.9 | 0 | 0 | 0 | 111.1 | K2064 K2065 L2066 Q2070 S2071 S2072 | K2064-N2068 WeakPolarHBondContact O-CB 3.49Å; K2064-N2068 PolarHBondContact O-N 3.12Å; K2064-N2068 PolarHBondContact O-ND2 2.8Å; K2065-N2068 PolarHBondContact O-N 2.93Å; L2066-N2068 VanDerWaalsContact C-N 3.33Å; L2066-N2068 PolarHBondContact O-N 2.81Å; N2068-Q2070 VanDerWaalsContact C-N 3.27Å; N2068-Q2070 PolarHBondContact O-N 3.09Å; N2068-S2071 WeakPolarHBondContact O-CB 3.44Å; N2068-S2071 PolarHBondContact O-N 3.21Å; N2068-S2071 PolarHBondContact O-OG 3.17Å; N2068-S2072 PolarHBondContact O-N 2.83Å; N2068-S2072 VanDerWaalsContact O-N 3.14Å |
| 2069 | A | 76.9 | Confident | 71.6 | Confident | 8 Ų | 8 | 61 Ų | 61 | 7% | 0.066 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.6 | -29.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | I2018 K2065 L2066 S2072 L2073 | I2018-A2069 HydrophobicContact CD1-CB 4.26Å; K2065-A2069 PolarHBondContact O-N 3.01Å; K2065-A2069 VanDerWaalsContact O-N 3.08Å; L2066-A2069 PolarHBondContact O-N 3.2Å; A2069-S2072 PolarHBondContact O-OG 2.72Å; A2069-S2072 VanDerWaalsContact O-OG 3.14Å; A2069-L2073 WeakPolarHBondContact O-CD1 3.29Å; A2069-L2073 WeakPolarHBondContact O-CG 3.23Å |
| 2070 | Q | 79.2 | Confident | 69.2 | Low | 62 Ų | 62 | 63.1 Ų | 63.1 | 29% | 0.29 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -72 | -37.2 | 170.5 | -164.3 | -176.3 | 8.2 | 0 | 0 | 111.8 | I2018 L2022 L2066 I2067 N2068 L2073 H2074 | I2018-Q2070 HydrophobicContact CG2-CB 4Å; I2018-Q2070 HydrophobicContact CG2-CG 4.48Å; L2022-Q2070 VanDerWaalsContact CD1-OE1 3.22Å; L2066-Q2070 PolarHBondContact O-N 3Å; I2067-Q2070 PolarHBondContact O-N 3.17Å; N2068-Q2070 VanDerWaalsContact C-N 3.27Å; N2068-Q2070 PolarHBondContact O-N 3.09Å; Q2070-L2073 PolarHBondContact O-N 2.9Å; Q2070-H2074 PolarHBondContact O-CD2 3.15Å; Q2070-H2074 PolarHBondContact O-N 2.85Å |
| 2071 | S | 68.6 | Low | 67.1 | Low | 67 Ų | 67 | 66.9 Ų | 66.9 | 47% | 0.469 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -70 | -36.2 | -176 | 77.5 | 0 | 0 | 0 | 0 | 113.5 | I2067 N2068 L2073 H2074 S2075 | I2067-S2071 WeakPolarHBondContact O-CB 3.46Å; I2067-S2071 PolarHBondContact O-N 3.19Å; N2068-S2071 WeakPolarHBondContact O-CB 3.44Å; N2068-S2071 PolarHBondContact O-N 3.21Å; N2068-S2071 PolarHBondContact O-OG 3.17Å; S2071-L2073 VanDerWaalsContact C-N 3.3Å; S2071-L2073 PolarHBondContact O-N 3.36Å; S2071-H2074 PolarHBondContact O-N 3.3Å; S2071-S2075 PolarHBondContact O-N 2.74Å |
| 2072 | S | 60.6 | Low | 64.7 | Low | 18 Ų | 18 | 69.9 Ų | 69.9 | 13% | 0.126 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -70.4 | -24.5 | 177.6 | 60.9 | 0 | 0 | 0 | 0 | 113.5 | N2068 A2069 S2075 E2092 | N2068-S2072 PolarHBondContact O-N 2.83Å; N2068-S2072 VanDerWaalsContact O-N 3.14Å; A2069-S2072 PolarHBondContact O-OG 2.72Å; A2069-S2072 VanDerWaalsContact O-OG 3.14Å; S2072-S2075 PolarHBondContact O-OG 3.44Å; S2072-E2092 WeakPolarHBondContact CB-OE1 3.42Å; S2072-E2092 WeakPolarHBondContact CB-OE2 3.28Å; S2072-E2092 PolarHBondContact OG-OE2 2.88Å |
| 2073 | L | 59.8 | Low | 62.3 | Low | 38 Ų | 38 | 79.3 Ų | 79.3 | 20% | 0.199 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -73 | -35.3 | 172 | -70.3 | 169.8 | 0 | 0 | 0 | 112.3 | I2018 A2069 Q2070 S2071 I2085 I2089 | I2018-L2073 HydrophobicContact CD1-CD1 3.67Å; A2069-L2073 WeakPolarHBondContact O-CD1 3.29Å; A2069-L2073 WeakPolarHBondContact O-CG 3.23Å; Q2070-L2073 PolarHBondContact O-N 2.9Å; S2071-L2073 VanDerWaalsContact C-N 3.3Å; S2071-L2073 PolarHBondContact O-N 3.36Å; L2073-I2085 HydrophobicContact CD2-CG2 3.89Å; L2073-I2089 HydrophobicContact CD2-CG1 4.45Å |
| 2074 | H | 56.3 | Low | 60.2 | Low | 143 Ų | 143 | 81.4 Ų | 81.4 | 66% | 0.662 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -83.7 | -11.8 | -179.2 | -78 | -65.1 | 0 | 0 | 0 | 114.6 | Q2070 S2071 S2076 | Q2070-H2074 PolarHBondContact O-CD2 3.15Å; Q2070-H2074 PolarHBondContact O-N 2.85Å; S2071-H2074 PolarHBondContact O-N 3.3Å; H2074-S2076 VanDerWaalsContact C-N 3.3Å; H2074-S2076 PolarHBondContact O-N 2.75Å |
| 2075 | S | 45.2 | Very low | 58.4 | Low | 95 Ų | 95 | 78.3 Ų | 78.3 | 66% | 0.664 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -84.2 | 20.9 | -169.4 | 78.8 | 0 | 0 | 0 | 0 | 116 | S2071 S2072 | S2071-S2075 PolarHBondContact O-N 2.74Å; S2072-S2075 PolarHBondContact O-OG 3.44Å |
| 2076 | S | 41.3 | Very low | 56.4 | Low | 37 Ų | 37 | 77.5 Ų | 77.5 | 26% | 0.259 | 43% | 0.428 | S | S | . | . | trans | -137.4 | 110.5 | 175.3 | 58.4 | 0 | 0 | 0 | 0 | 113.1 | H2074 S2078 | H2074-S2076 VanDerWaalsContact C-N 3.3Å; H2074-S2076 PolarHBondContact O-N 2.75Å; S2076-S2078 PolarHBondContact O-N 2.98Å | ||
| 2077 | S | 40.7 | Very low | 54.5 | Low | 140 Ų | 140 | 79.7 Ų | 79.7 | 98% | 0.979 | 44% | 0.443 | S | S | * | . | trans | -79.2 | 32.2 | 177.8 | 51.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 2078 | S | 42.5 | Very low | 52.9 | Low | 72 Ų | 72 | 80.6 Ų | 80.6 | 50% | 0.503 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -135.2 | 145.4 | 176.7 | 54.5 | 0 | 0 | 0 | 0 | 110.1 | S2076 T2080 | S2076-S2078 PolarHBondContact O-N 2.98Å; S2078-T2080 PolarHBondContact O-N 3.18Å |
| 2079 | P | 37.8 | Very low | 51.6 | Low | 137 Ų | 137 | 76.2 Ų | 76.2 | 89% | 0.89 | 42% | 0.418 | S | S | * | . | trans | -72.5 | 91.4 | -175 | 29.2 | -34.8 | 0 | 0 | 0 | 110.9 | ||||
| 2080 | T | 43.2 | Very low | 50.4 | Low | 44 Ų | 44 | 83 Ų | 83 | 27% | 0.27 | 45% | 0.448 | S | S | . | . | trans | -72.2 | 142.5 | 173 | 45.2 | 0 | 0 | 0 | 0 | 110.5 | S2078 | S2078-T2080 PolarHBondContact O-N 3.18Š| ||
| 2081 | T | 48.3 | Very low | 49.1 | Very low | 87 Ų | 87 | 87.7 Ų | 87.7 | 53% | 0.534 | 47% | 0.47 | S | S | . | . | trans | -74.3 | 148.1 | -178.1 | 44.9 | 0 | 0 | 0 | 0 | 111.4 | Y2083 Q2084 I2085 | T2081-Y2083 PolarHBondContact O-N 2.86Å; T2081-Q2084 PolarHBondContact O-N 3.43Å; T2081-I2085 PolarHBondContact O-N 2.77Å | ||
| 2082 | K | 42.6 | Very low | 48.8 | Very low | 107 Ų | 107 | 89.3 Ų | 89.3 | 47% | 0.465 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -46.6 | -35.7 | -178.2 | -160.8 | -170.4 | -177.7 | -163.4 | 0 | 113.2 | D2014 I2085 R2086 D2149 | D2014-K2082 WeakPolarHBondContact OD2-CE 3.38Å; D2014-K2082 WeakPolarHBondContact OD2-CG 3.41Å; K2082-I2085 PolarHBondContact O-N 2.88Å; K2082-R2086 PolarHBondContact O-N 2.91Å; K2082-R2086 VanDerWaalsContact O-N 3.12Å; K2082-D2149 IonicContact NZ-OD2 3.48Å; K2082-D2149 PolarHBondContact NZ-OD2 3.12Å |
| 2083 | Y | 40.9 | Very low | 49.7 | Very low | 198 Ų | 198 | 89 Ų | 89 | 78% | 0.776 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -65.7 | -40.3 | 177.9 | -150.4 | -83.4 | 0 | 0 | 0 | 113.7 | T2081 I2085 R2086 S2087 | T2081-Y2083 PolarHBondContact O-N 2.86Å; Y2083-I2085 VanDerWaalsContact C-N 3.32Å; Y2083-R2086 PolarHBondContact O-N 2.81Å; Y2083-S2087 PolarHBondContact O-N 3.25Å; Y2083-S2087 PolarHBondContact O-OG 3.24Å |
| 2084 | Q | 49 | Very low | 50.6 | Low | 97 Ų | 97 | 89 Ų | 89 | 45% | 0.453 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -70.4 | -29.9 | 177.1 | -69.3 | -174.9 | -12.7 | 0 | 0 | 112.4 | T2081 S2087 R2088 | T2081-Q2084 PolarHBondContact O-N 3.43Å; Q2084-S2087 WeakPolarHBondContact CA-OG 3.48Å; Q2084-S2087 PolarHBondContact O-OG 3.48Å; Q2084-S2087 VanDerWaalsContact O-OG 3.08Å; Q2084-R2088 PolarHBondContact O-N 3.49Å |
| 2085 | I | 49.1 | Very low | 51.8 | Low | 46 Ų | 46 | 82.3 Ų | 82.3 | 24% | 0.236 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -66.4 | -51.2 | 173 | -65.1 | 171.4 | 0 | 0 | 0 | 109.3 | D2014 L2073 T2081 K2082 Y2083 S2087 R2088 I2089 | D2014-I2085 HydrophobicContact CB-CG2 4.19Å; L2073-I2085 HydrophobicContact CD2-CG2 3.89Å; T2081-I2085 PolarHBondContact O-N 2.77Å; K2082-I2085 PolarHBondContact O-N 2.88Å; Y2083-I2085 VanDerWaalsContact C-N 3.32Å; I2085-S2087 PolarHBondContact O-N 2.95Å; I2085-R2088 PolarHBondContact O-N 2.83Å; I2085-R2088 VanDerWaalsContact O-N 3.11Å; I2085-I2089 HydrophobicContact CG2-CD1 3.87Å; I2085-I2089 WeakPolarHBondContact O-CG1 3.39Å; I2085-I2089 PolarHBondContact O-N 3.08Å |
| 2086 | R | 49.3 | Very low | 53.6 | Low | 51 Ų | 51 | 84.3 Ų | 84.3 | 19% | 0.192 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -58 | -42.8 | 175.9 | -74.6 | -169.8 | 177.5 | 178 | -0.8 | 113 | D2014 K2082 Y2083 R2088 I2089 Q2090 D2149 | D2014-R2086 IonicContact OD1-CZ 2.7Å; D2014-R2086 IonicContact OD1-NE 3.65Å; D2014-R2086 PolarHBondContact OD1-NE 3.34Å; D2014-R2086 IonicContact OD1-NH2 3.64Å; D2014-R2086 PolarHBondContact OD1-NH2 2.96Å; K2082-R2086 PolarHBondContact O-N 2.91Å; K2082-R2086 VanDerWaalsContact O-N 3.12Å; Y2083-R2086 PolarHBondContact O-N 2.81Å; R2086-R2088 PolarHBondContact O-N 2.68Å; R2086-I2089 PolarHBondContact O-N 2.84Å; R2086-Q2090 PolarHBondContact O-N 3.35Å; R2086-Q2090 VanDerWaalsContact O-N 3.16Å; R2086-D2149 IonicContact CZ-OD2 3.25Å; R2086-D2149 IonicContact NH1-OD2 3.9Å; R2086-D2149 PolarHBondContact NH1-OD2 2.89Å; R2086-D2149 IonicContact NH2-OD2 2.67Å; R2086-D2149 PolarHBondContact NH2-OD2 3.19Å |
| 2087 | S | 48.1 | Very low | 55.8 | Low | 46 Ų | 46 | 86 Ų | 86 | 32% | 0.322 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -67.1 | -21 | 178.6 | 68.2 | 0 | 0 | 0 | 0 | 114.1 | Y2083 Q2084 I2085 Q2091 | Y2083-S2087 PolarHBondContact O-N 3.25Å; Y2083-S2087 PolarHBondContact O-OG 3.24Å; Q2084-S2087 WeakPolarHBondContact CA-OG 3.48Å; Q2084-S2087 PolarHBondContact O-OG 3.48Å; Q2084-S2087 VanDerWaalsContact O-OG 3.08Å; I2085-S2087 PolarHBondContact O-N 2.95Å; S2087-Q2091 VanDerWaalsContact O-CG 3.31Å; S2087-Q2091 WeakPolarHBondContact O-CG 3.49Å |
| 2088 | R | 51.8 | Low | 58.1 | Low | 97 Ų | 97 | 79.3 Ų | 79.3 | 37% | 0.366 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -84 | -39 | 171.3 | -75.4 | -173.5 | -173.8 | 167.5 | 5.6 | 112.7 | Q2084 I2085 R2086 Q2090 Q2091 E2092 | Q2084-R2088 PolarHBondContact O-N 3.49Å; I2085-R2088 PolarHBondContact O-N 2.83Å; I2085-R2088 VanDerWaalsContact O-N 3.11Å; R2086-R2088 PolarHBondContact O-N 2.68Å; R2088-Q2090 PolarHBondContact O-N 3.11Å; R2088-Q2091 WeakPolarHBondContact O-CA 3.29Å; R2088-Q2091 PolarHBondContact O-N 3.08Å; R2088-E2092 PolarHBondContact O-N 2.97Å |
| 2089 | I | 52.9 | Low | 60.4 | Low | 10 Ų | 10 | 77.6 Ų | 77.6 | 5% | 0.051 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -58.3 | -40.1 | 176.5 | -67.3 | 166.3 | 0 | 0 | 0 | 110.4 | D2014 W2017 L2073 I2085 R2086 Q2091 | D2014-I2089 HydrophobicContact CB-CD1 4.45Å; D2014-I2089 VanDerWaalsContact O-CD1 3.25Å; D2014-I2089 WeakPolarHBondContact O-CD1 3.35Å; W2017-I2089 HydrophobicContact CZ2-CG2 4.2Å; L2073-I2089 HydrophobicContact CD2-CG1 4.45Å; I2085-I2089 HydrophobicContact CG2-CD1 3.87Å; I2085-I2089 WeakPolarHBondContact O-CG1 3.39Å; I2085-I2089 PolarHBondContact O-N 3.08Å; R2086-I2089 PolarHBondContact O-N 2.84Å; I2089-Q2091 PolarHBondContact O-N 3.35Å |
| 2090 | Q | 51.2 | Low | 62.9 | Low | 150 Ų | 150 | 77.4 Ų | 77.4 | 70% | 0.701 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -68.5 | -10.1 | 172.9 | -74.9 | -174.1 | -28 | 0 | 0 | 115.3 | R2086 R2088 | R2086-Q2090 PolarHBondContact O-N 3.35Å; R2086-Q2090 VanDerWaalsContact O-N 3.16Å; R2088-Q2090 PolarHBondContact O-N 3.11Å |
| 2091 | Q | 51.2 | Low | 65.3 | Low | 161 Ų | 161 | 76 Ų | 76 | 75% | 0.752 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -105.6 | -14.7 | -177.6 | -76 | -179.5 | -2.8 | 0 | 0 | 114.3 | S2087 R2088 I2089 | S2087-Q2091 VanDerWaalsContact O-CG 3.31Å; S2087-Q2091 WeakPolarHBondContact O-CG 3.49Å; R2088-Q2091 WeakPolarHBondContact O-CA 3.29Å; R2088-Q2091 PolarHBondContact O-N 3.08Å; I2089-Q2091 PolarHBondContact O-N 3.35Å |
| 2092 | E | 62.6 | Low | 67.5 | Low | 101 Ų | 101 | 71.9 Ų | 71.9 | 47% | 0.472 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -115.8 | -53.5 | -176.4 | -68.8 | -173.3 | -175.7 | 0 | 0 | 114 | S2072 R2088 | S2072-E2092 WeakPolarHBondContact CB-OE1 3.42Å; S2072-E2092 WeakPolarHBondContact CB-OE2 3.28Å; S2072-E2092 PolarHBondContact OG-OE2 2.88Å; R2088-E2092 PolarHBondContact O-N 2.97Å |
| 2093 | Y | 79 | Confident | 70 | Confident | 13 Ų | 13 | 70 Ų | 70 | 5% | 0.051 | 32% | 0.318 | C | S | . | . | trans | -165.1 | 115.8 | 178.7 | -159.9 | -133.6 | 0 | 0 | 0 | 111.5 | W2017 K2065 L2066 D2097 L2098 D2101 | W2017-Y2093 WeakPolarHBondContact CH2-O 3.32Å; W2017-Y2093 WeakPolarHBondContact CZ2-O 3.42Å; K2065-Y2093 HydrophobicContact CB-CD1 4.11Å; K2065-Y2093 HydrophobicContact CB-CD2 4.38Å; K2065-Y2093 HydrophobicContact CB-CE1 3.89Å; K2065-Y2093 HydrophobicContact CB-CE2 4.21Å; K2065-Y2093 HydrophobicContact CB-CG 4.33Å; K2065-Y2093 HydrophobicContact CD-CD2 4.3Å; K2065-Y2093 HydrophobicContact CD-CE2 3.63Å; K2065-Y2093 HydrophobicContact CG-CE2 4.45Å; L2066-Y2093 HydrophobicContact CD2-CD1 3.88Å; L2066-Y2093 HydrophobicContact CD2-CE1 3.92Å; L2066-Y2093 HydrophobicContact CG-CD1 4.22Å; L2066-Y2093 HydrophobicContact CG-CE1 3.93Å; Y2093-D2097 HydrophobicContact CD2-CB 3.83Å; Y2093-D2097 HydrophobicContact CE2-CB 3.75Å; Y2093-L2098 HydrophobicContact CE1-CB 3.91Å; Y2093-L2098 HydrophobicContact CE1-CD1 4.17Å; Y2093-L2098 WeakPolarHBondContact OH-CA 3.42Å; Y2093-D2101 VanDerWaalsContact CE2-OD2 3.24Å; Y2093-D2101 WeakPolarHBondContact CE2-OD2 3.29Å; Y2093-D2101 PolarHBondContact OH-OD2 3.36Å | ||
| 2094 | H | 79.9 | Confident | 72.5 | Confident | 38 Ų | 38 | 62 Ų | 62 | 18% | 0.176 | 29% | 0.288 | C | S | . | . | trans | -95.5 | 154.7 | -176.2 | -168.9 | -112.6 | 0 | 0 | 0 | 111.8 | R2096 D2097 L2098 | H2094-R2096 PolarHBondContact O-N 3.07Å; H2094-R2096 VanDerWaalsContact O-N 3.13Å; H2094-D2097 VanDerWaalsContact CB-OD2 3.24Å; H2094-D2097 WeakPolarHBondContact CB-OD2 3.24Å; H2094-D2097 PolarHBondContact N-OD2 3.29Å; H2094-D2097 WeakPolarHBondContact O-CB 3.19Å; H2094-D2097 PolarHBondContact O-N 3.12Å; H2094-L2098 PolarHBondContact O-N 2.93Å | ||
| 2095 | P | 82.3 | Confident | 74.7 | Confident | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.006 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -56 | -30.2 | 176.9 | -27.9 | 35.1 | 0 | 0 | 0 | 114.7 | W2017 L2099 L2139 T2143 F2146 | W2017-P2095 HydrophobicContact CD2-CG 3.76Å; W2017-P2095 HydrophobicContact CE3-CB 4.27Å; W2017-P2095 HydrophobicContact CE3-CG 3.85Å; W2017-P2095 HydrophobicContact CG-CG 4.42Å; W2017-P2095 HydrophobicContact CH2-CG 3.94Å; W2017-P2095 HydrophobicContact CZ2-CG 3.83Å; W2017-P2095 HydrophobicContact CZ3-CB 4.22Å; W2017-P2095 HydrophobicContact CZ3-CG 3.94Å; P2095-L2099 PolarHBondContact O-N 3.4Å; P2095-L2139 HydrophobicContact CB-CD2 4.41Å; P2095-T2143 HydrophobicContact CB-CG2 4.2Å; P2095-F2146 HydrophobicContact CG-CE2 4.07Å |
| 2096 | R | 82.6 | Confident | 76.9 | Confident | 137 Ų | 137 | 55.7 Ų | 55.7 | 52% | 0.517 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -72.1 | -29.5 | 175.4 | -61.3 | -174.9 | -172.3 | 165.3 | 6.6 | 112.2 | H2094 L2099 F2100 T2143 D2147 | H2094-R2096 PolarHBondContact O-N 3.07Å; H2094-R2096 VanDerWaalsContact O-N 3.13Å; R2096-L2099 PolarHBondContact O-N 3.15Å; R2096-F2100 WeakPolarHBondContact O-CB 3.46Å; R2096-F2100 PolarHBondContact O-N 2.88Å; R2096-T2143 HydrophobicContact CG-CG2 4.04Å; R2096-D2147 IonicContact NH2-OD1 2.67Å; R2096-D2147 IonicContact NH2-OD2 2.72Å; R2096-D2147 PolarHBondContact NH2-OD2 3.07Å |
| 2097 | D | 86.1 | Confident | 79 | Confident | 72 Ų | 72 | 55.9 Ų | 55.9 | 39% | 0.385 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -73.4 | -39 | 178.1 | -46.7 | -19.7 | 0 | 0 | 0 | 110.7 | Y2093 H2094 L2099 F2100 D2101 | Y2093-D2097 HydrophobicContact CD2-CB 3.83Å; Y2093-D2097 HydrophobicContact CE2-CB 3.75Å; H2094-D2097 VanDerWaalsContact CB-OD2 3.24Å; H2094-D2097 WeakPolarHBondContact CB-OD2 3.24Å; H2094-D2097 PolarHBondContact N-OD2 3.29Å; H2094-D2097 WeakPolarHBondContact O-CB 3.19Å; H2094-D2097 PolarHBondContact O-N 3.12Å; D2097-L2099 VanDerWaalsContact C-N 3.35Å; D2097-L2099 PolarHBondContact O-N 2.83Å; D2097-F2100 WeakPolarHBondContact O-CB 3.48Å; D2097-F2100 PolarHBondContact O-N 3.2Å; D2097-D2101 PolarHBondContact O-N 2.92Å |
| 2098 | L | 89.8 | Confident | 81.2 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.6 | -45.1 | 171.6 | 172.6 | 62.2 | 0 | 0 | 0 | 111.8 | W2017 I2062 L2066 Y2093 H2094 F2100 L2102 L2139 | W2017-L2098 HydrophobicContact CZ3-CD2 4.13Å; I2062-L2098 HydrophobicContact CG2-CD1 3.41Å; I2062-L2098 VanDerWaalsContact CG2-CD1 3.41Å; L2066-L2098 HydrophobicContact CD1-CD1 4.08Å; L2066-L2098 HydrophobicContact CD1-CD2 4.43Å; L2066-L2098 HydrophobicContact CD2-CD2 4.3Å; Y2093-L2098 HydrophobicContact CE1-CB 3.91Å; Y2093-L2098 HydrophobicContact CE1-CD1 4.17Å; Y2093-L2098 WeakPolarHBondContact OH-CA 3.42Å; H2094-L2098 PolarHBondContact O-N 2.93Å; L2098-F2100 VanDerWaalsContact C-N 3.33Å; L2098-L2102 HydrophobicContact CD1-CD1 3.99Å; L2098-L2102 HydrophobicContact CD1-CG 4.3Å; L2098-L2102 HydrophobicContact CG-CD1 4.14Å; L2098-L2102 WeakPolarHBondContact O-CB 3.19Å; L2098-L2102 WeakPolarHBondContact O-CG 3.24Å; L2098-L2102 PolarHBondContact O-N 2.91Å; L2098-L2102 VanDerWaalsContact O-N 3.07Å; L2098-L2139 HydrophobicContact CB-CD1 4.48Å; L2098-L2139 HydrophobicContact CD2-CD1 3.94Å; L2098-L2139 HydrophobicContact CD2-CD2 3.89Å; L2098-L2139 HydrophobicContact CG-CD1 4.1Å |
| 2099 | L | 89.9 | Confident | 83 | Confident | 36 Ų | 36 | 50 Ų | 50 | 19% | 0.188 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.1 | -36.7 | 177 | -175.8 | 58.3 | 0 | 0 | 0 | 111.8 | P2095 R2096 D2097 N2103 V2131 T2136 L2139 | P2095-L2099 PolarHBondContact O-N 3.4Å; R2096-L2099 PolarHBondContact O-N 3.15Å; D2097-L2099 VanDerWaalsContact C-N 3.35Å; D2097-L2099 PolarHBondContact O-N 2.83Å; L2099-N2103 WeakPolarHBondContact O-CB 3.48Å; L2099-N2103 PolarHBondContact O-N 3.13Å; L2099-N2103 VanDerWaalsContact O-N 3.09Å; L2099-N2103 PolarHBondContact O-ND2 3.39Å; L2099-V2131 HydrophobicContact CD1-CG1 4.07Å; L2099-T2136 WeakPolarHBondContact CD1-OG1 3.46Å; L2099-T2136 HydrophobicContact CD2-CG2 4.28Å; L2099-L2139 HydrophobicContact CB-CD1 4.01Å |
| 2100 | F | 90.4 | Very high | 84.8 | Confident | 133 Ų | 133 | 53.1 Ų | 53.1 | 58% | 0.583 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -64.8 | -49.3 | 175.2 | -176.8 | -91.4 | 0 | 0 | 0 | 112.2 | R2096 D2097 L2098 L2102 N2103 L2104 | R2096-F2100 WeakPolarHBondContact O-CB 3.46Å; R2096-F2100 PolarHBondContact O-N 2.88Å; D2097-F2100 WeakPolarHBondContact O-CB 3.48Å; D2097-F2100 PolarHBondContact O-N 3.2Å; L2098-F2100 VanDerWaalsContact C-N 3.33Å; F2100-L2102 VanDerWaalsContact C-N 3.32Å; F2100-L2102 PolarHBondContact O-N 2.89Å; F2100-N2103 PolarHBondContact O-N 3.33Å; F2100-L2104 WeakPolarHBondContact O-CB 3.43Å; F2100-L2104 PolarHBondContact O-N 3.1Å |
| 2101 | D | 95.3 | Very high | 86.7 | Confident | 13 Ų | 13 | 51 Ų | 51 | 7% | 0.07 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.9 | -37.6 | 178.1 | -77.4 | -36.2 | 0 | 0 | 0 | 112.2 | M2057 I2062 K2065 Y2093 D2097 L2104 I2105 | M2057-D2101 WeakPolarHBondContact CE-OD1 3.46Å; M2057-D2101 HydrophobicContact CG-CB 4.18Å; M2057-D2101 HydrophobicContact SD-CB 4.28Å; I2062-D2101 HydrophobicContact CD1-CB 3.71Å; I2062-D2101 HydrophobicContact CG1-CB 3.89Å; K2065-D2101 WeakPolarHBondContact CD-OD2 3.42Å; K2065-D2101 IonicContact NZ-OD1 3.3Å; K2065-D2101 PolarHBondContact NZ-OD1 3.14Å; K2065-D2101 IonicContact NZ-OD2 3.03Å; K2065-D2101 PolarHBondContact NZ-OD2 3.24Å; Y2093-D2101 VanDerWaalsContact CE2-OD2 3.24Å; Y2093-D2101 WeakPolarHBondContact CE2-OD2 3.29Å; Y2093-D2101 PolarHBondContact OH-OD2 3.36Å; D2097-D2101 PolarHBondContact O-N 2.92Å; D2101-L2104 WeakPolarHBondContact O-CB 3.44Å; D2101-L2104 PolarHBondContact O-N 3.21Å; D2101-I2105 PolarHBondContact O-N 2.9Å |
| 2102 | L | 93.5 | Very high | 88.5 | Confident | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.2 | -43.4 | 175.9 | -77.6 | 168 | 0 | 0 | 0 | 112.5 | I2025 L2059 I2062 L2098 F2100 L2104 I2105 V2106 V2131 I2135 | I2025-L2102 HydrophobicContact CD1-CD2 3.98Å; L2059-L2102 HydrophobicContact CD2-CD2 3.95Å; I2062-L2102 HydrophobicContact CD1-CD2 3.83Å; I2062-L2102 HydrophobicContact CD1-CG 3.98Å; L2098-L2102 HydrophobicContact CD1-CD1 3.99Å; L2098-L2102 HydrophobicContact CD1-CG 4.3Å; L2098-L2102 HydrophobicContact CG-CD1 4.14Å; L2098-L2102 WeakPolarHBondContact O-CB 3.19Å; L2098-L2102 WeakPolarHBondContact O-CG 3.24Å; L2098-L2102 PolarHBondContact O-N 2.91Å; L2098-L2102 VanDerWaalsContact O-N 3.07Å; F2100-L2102 VanDerWaalsContact C-N 3.32Å; F2100-L2102 PolarHBondContact O-N 2.89Å; L2102-L2104 VanDerWaalsContact C-N 3.28Å; L2102-L2104 PolarHBondContact O-N 3.08Å; L2102-I2105 WeakPolarHBondContact O-CB 3.38Å; L2102-I2105 PolarHBondContact O-N 2.96Å; L2102-V2106 PolarHBondContact O-N 2.93Å; L2102-V2131 HydrophobicContact CB-CG1 4.29Å; L2102-V2131 HydrophobicContact CB-CG2 4.33Å; L2102-I2135 HydrophobicContact CD1-CD1 3.58Å; L2102-I2135 HydrophobicContact CD1-CG2 3.83Å |
| 2103 | N | 94.3 | Very high | 89.5 | Confident | 67 Ų | 67 | 42.9 Ų | 42.9 | 36% | 0.358 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -68.1 | -29.3 | 175.5 | -73.2 | -27.9 | 0 | 0 | 0 | 112.1 | L2099 F2100 V2106 A2107 | L2099-N2103 WeakPolarHBondContact O-CB 3.48Å; L2099-N2103 PolarHBondContact O-N 3.13Å; L2099-N2103 VanDerWaalsContact O-N 3.09Å; L2099-N2103 PolarHBondContact O-ND2 3.39Å; F2100-N2103 PolarHBondContact O-N 3.33Å; N2103-V2106 PolarHBondContact O-N 2.97Å; N2103-A2107 WeakPolarHBondContact O-CB 3.29Å; N2103-A2107 PolarHBondContact O-N 3.37Å |
| 2104 | L | 95.2 | Very high | 89.7 | Confident | 30 Ų | 30 | 47.6 Ų | 47.6 | 16% | 0.157 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.9 | -36.2 | 172.9 | -177.8 | 60.5 | 0 | 0 | 0 | 112.2 | R2055 M2057 F2100 D2101 L2102 A2107 N2108 | R2055-L2104 HydrophobicContact CB-CD2 4.21Å; M2057-L2104 HydrophobicContact CB-CD2 4.03Å; M2057-L2104 HydrophobicContact CB-CG 4.16Å; M2057-L2104 HydrophobicContact CE-CD2 4.04Å; M2057-L2104 HydrophobicContact CG-CD2 4.42Å; F2100-L2104 WeakPolarHBondContact O-CB 3.43Å; F2100-L2104 PolarHBondContact O-N 3.1Å; D2101-L2104 WeakPolarHBondContact O-CB 3.44Å; D2101-L2104 PolarHBondContact O-N 3.21Å; L2102-L2104 VanDerWaalsContact C-N 3.28Å; L2102-L2104 PolarHBondContact O-N 3.08Å; L2104-A2107 PolarHBondContact O-N 3.21Å; L2104-N2108 WeakPolarHBondContact O-CB 3.45Å; L2104-N2108 PolarHBondContact O-N 3.04Å; L2104-N2108 PolarHBondContact O-ND2 3.27Å |
| 2105 | I | 94.7 | Very high | 89.7 | Confident | 5 Ų | 5 | 49.7 Ų | 49.7 | 3% | 0.026 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.9 | -47.9 | 172 | -64.5 | 175.5 | 0 | 0 | 0 | 110.6 | F2037 M2057 L2059 I2062 D2101 L2102 N2108 A2109 L2127 | F2037-I2105 HydrophobicContact CB-CG2 3.94Å; F2037-I2105 HydrophobicContact CD1-CG2 3.99Å; F2037-I2105 HydrophobicContact CG-CG2 4.14Å; M2057-I2105 HydrophobicContact CB-CG1 4.01Å; M2057-I2105 HydrophobicContact CG-CD1 4.47Å; M2057-I2105 HydrophobicContact CG-CG1 3.97Å; L2059-I2105 HydrophobicContact CD2-CD1 3.81Å; L2059-I2105 HydrophobicContact CG-CD1 4.16Å; I2062-I2105 HydrophobicContact CD1-CD1 3.54Å; I2062-I2105 HydrophobicContact CD1-CG1 4.41Å; D2101-I2105 PolarHBondContact O-N 2.9Å; L2102-I2105 WeakPolarHBondContact O-CB 3.38Å; L2102-I2105 PolarHBondContact O-N 2.96Å; I2105-N2108 PolarHBondContact O-N 3.4Å; I2105-A2109 VanDerWaalsContact O-CB 3.29Å; I2105-A2109 WeakPolarHBondContact O-CB 3.28Å; I2105-A2109 PolarHBondContact O-N 2.99Å; I2105-L2127 HydrophobicContact CG2-CD2 3.77Å |
| 2106 | V | 95.3 | Very high | 89.6 | Confident | 6 Ų | 6 | 53.6 Ų | 53.6 | 4% | 0.036 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.6 | -43.4 | 178.8 | 176.2 | 0 | 0 | 0 | 0 | 111.2 | L2102 N2103 A2109 K2110 T2124 L2127 E2128 | L2102-V2106 PolarHBondContact O-N 2.93Å; N2103-V2106 PolarHBondContact O-N 2.97Å; V2106-A2109 PolarHBondContact O-N 2.75Å; V2106-K2110 HydrophobicContact CG1-CD 4.4Å; V2106-K2110 WeakPolarHBondContact O-CG 3.41Å; V2106-K2110 PolarHBondContact O-N 3Å; V2106-T2124 HydrophobicContact CG1-CG2 4.43Å; V2106-L2127 HydrophobicContact CG2-CD2 3.89Å; V2106-L2127 HydrophobicContact CG2-CG 3.92Å; V2106-E2128 HydrophobicContact CG1-CB 3.79Å; V2106-E2128 HydrophobicContact CG1-CG 4.1Å; V2106-E2128 HydrophobicContact CG2-CB 4.41Å |
| 2107 | A | 94 | Very high | 89.4 | Confident | 54 Ų | 54 | 54.5 Ų | 54.5 | 45% | 0.446 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.9 | -48.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | N2103 L2104 A2109 K2110 L2111 | N2103-A2107 WeakPolarHBondContact O-CB 3.29Å; N2103-A2107 PolarHBondContact O-N 3.37Å; L2104-A2107 PolarHBondContact O-N 3.21Å; A2107-A2109 VanDerWaalsContact C-N 3.34Å; A2107-A2109 PolarHBondContact O-N 3.13Å; A2107-K2110 PolarHBondContact O-N 2.61Å; A2107-L2111 WeakPolarHBondContact O-CB 3.3Å; A2107-L2111 PolarHBondContact O-N 3.16Å |
| 2108 | N | 93 | Very high | 89.3 | Confident | 13 Ų | 13 | 53.2 Ų | 53.2 | 7% | 0.07 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.8 | -44.1 | 176.4 | -71 | -16.1 | 0 | 0 | 0 | 111.5 | I2053 R2055 L2104 I2105 K2110 L2111 Y2112 | I2053-N2108 HydrophobicContact CD1-CB 4.14Å; I2053-N2108 HydrophobicContact CG2-CB 4.21Å; R2055-N2108 PolarHBondContact O-ND2 3.48Å; L2104-N2108 WeakPolarHBondContact O-CB 3.45Å; L2104-N2108 PolarHBondContact O-N 3.04Å; L2104-N2108 PolarHBondContact O-ND2 3.27Å; I2105-N2108 PolarHBondContact O-N 3.4Å; N2108-K2110 VanDerWaalsContact C-N 3.35Å; N2108-K2110 PolarHBondContact O-N 2.98Å; N2108-L2111 PolarHBondContact O-N 3.33Å; N2108-Y2112 PolarHBondContact O-N 3.2Å |
| 2109 | A | 89.9 | Confident | 89 | Confident | 7 Ų | 7 | 58.3 Ų | 58.3 | 6% | 0.058 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.2 | -39.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | F2037 I2105 V2106 A2107 N2113 T2124 | F2037-A2109 HydrophobicContact CD1-CB 4.36Å; F2037-A2109 HydrophobicContact CE1-CB 3.72Å; I2105-A2109 VanDerWaalsContact O-CB 3.29Å; I2105-A2109 WeakPolarHBondContact O-CB 3.28Å; I2105-A2109 PolarHBondContact O-N 2.99Å; V2106-A2109 PolarHBondContact O-N 2.75Å; A2107-A2109 VanDerWaalsContact C-N 3.34Å; A2107-A2109 PolarHBondContact O-N 3.13Å; A2109-N2113 WeakPolarHBondContact O-CB 3.12Å; A2109-N2113 PolarHBondContact O-N 3.08Å; A2109-N2113 PolarHBondContact O-ND2 3.08Å; A2109-T2124 HydrophobicContact CB-CG2 3.57Å |
| 2110 | K | 90.9 | Very high | 88.9 | Confident | 75 Ų | 75 | 57.9 Ų | 57.9 | 33% | 0.326 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -71.2 | -31.7 | 173.5 | -73.6 | -176.8 | 174 | -174.9 | 0 | 114 | V2106 A2107 N2108 T2124 E2128 | V2106-K2110 HydrophobicContact CG1-CD 4.4Å; V2106-K2110 WeakPolarHBondContact O-CG 3.41Å; V2106-K2110 PolarHBondContact O-N 3Å; A2107-K2110 PolarHBondContact O-N 2.61Å; N2108-K2110 VanDerWaalsContact C-N 3.35Å; N2108-K2110 PolarHBondContact O-N 2.98Å; K2110-T2124 HydrophobicContact CG-CG2 3.78Å; K2110-E2128 WeakPolarHBondContact CE-OE2 3.14Å; K2110-E2128 IonicContact NZ-OE1 3.5Å; K2110-E2128 PolarHBondContact NZ-OE1 2.94Å; K2110-E2128 IonicContact NZ-OE2 3.65Å; K2110-E2128 PolarHBondContact NZ-OE2 2.92Å |
| 2111 | L | 91.7 | Very high | 88.8 | Confident | 105 Ų | 105 | 54.2 Ų | 54.2 | 55% | 0.55 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -72.5 | -38.2 | 179.4 | -164.1 | 73.4 | 0 | 0 | 0 | 111.6 | I2052 I2053 A2107 N2108 | I2052-L2111 HydrophobicContact CG2-CD2 4.45Å; I2053-L2111 HydrophobicContact CD1-CB 3.99Å; I2053-L2111 HydrophobicContact CD1-CD2 3.85Å; I2053-L2111 HydrophobicContact CD1-CG 4.34Å; A2107-L2111 WeakPolarHBondContact O-CB 3.3Å; A2107-L2111 PolarHBondContact O-N 3.16Å; N2108-L2111 PolarHBondContact O-N 3.33Å |
| 2112 | Y | 88.6 | Confident | 88.5 | Confident | 50 Ų | 50 | 57.3 Ų | 57.3 | 20% | 0.196 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -84.6 | -44.3 | -179.9 | -167 | -97.1 | 0 | 0 | 0 | 113.1 | Y2046 D2048 Y2049 I2052 N2108 T2114 | Y2046-Y2112 HydrophobicContact CD1-CE1 4.44Å; D2048-Y2112 PolarHBondContact OD1-OH 2.7Å; D2048-Y2112 PolarHBondContact OD2-OH 3.46Å; Y2049-Y2112 HydrophobicContact CD2-CD1 4.01Å; Y2049-Y2112 AromaticContact CD2-CD2 3.51Å; Y2049-Y2112 HydrophobicContact CD2-CD2 3.51Å; Y2049-Y2112 HydrophobicContact CD2-CE1 4.09Å; Y2049-Y2112 AromaticContact CD2-CE2 3.6Å; Y2049-Y2112 HydrophobicContact CD2-CE2 3.6Å; Y2049-Y2112 AromaticContact CD2-CG 3.71Å; Y2049-Y2112 HydrophobicContact CD2-CG 3.71Å; Y2049-Y2112 AromaticContact CD2-CZ 3.89Å; Y2049-Y2112 HydrophobicContact CE2-CD1 4.21Å; Y2049-Y2112 HydrophobicContact CE2-CD2 4Å; Y2049-Y2112 AromaticContact CE2-CG 3.83Å; Y2049-Y2112 HydrophobicContact CE2-CG 3.83Å; Y2049-Y2112 HydrophobicContact CG-CD2 4.37Å; Y2049-Y2112 HydrophobicContact CG-CE2 4.24Å; I2052-Y2112 HydrophobicContact CB-CD2 4.36Å; I2052-Y2112 HydrophobicContact CD1-CD2 4.07Å; I2052-Y2112 HydrophobicContact CD1-CE2 3.95Å; I2052-Y2112 HydrophobicContact CG2-CD2 4.31Å; N2108-Y2112 PolarHBondContact O-N 3.2Å; Y2112-T2114 PolarHBondContact O-N 2.61Å |
| 2113 | N | 84.2 | Confident | 88.6 | Confident | 42 Ų | 42 | 57.6 Ų | 57.6 | 23% | 0.225 | 31% | 0.314 | C | S | . | . | trans | -94.4 | 87.9 | -179.9 | -53.4 | -85.9 | 0 | 0 | 0 | 109.6 | A2109 V2120 F2121 | A2109-N2113 WeakPolarHBondContact O-CB 3.12Å; A2109-N2113 PolarHBondContact O-N 3.08Å; A2109-N2113 PolarHBondContact O-ND2 3.08Å; N2113-V2120 HydrophobicContact CB-CG1 4.47Å; N2113-F2121 WeakPolarHBondContact O-CD2 3.21Å | ||
| 2114 | T | 81.9 | Confident | 88.5 | Confident | 112 Ų | 112 | 54.5 Ų | 54.5 | 69% | 0.687 | 30% | 0.298 | S | S | * | . | trans | -87.8 | -5 | -178.1 | 61.5 | 0 | 0 | 0 | 0 | 114.4 | Y2112 P2116 | Y2112-T2114 PolarHBondContact O-N 2.61Å; T2114-P2116 WeakPolarHBondContact O-CD 3.37Å | ||
| 2115 | D | 81.1 | Confident | 88.3 | Confident | 83 Ų | 83 | 56.5 Ų | 56.5 | 44% | 0.444 | 31% | 0.308 | S | S | . | . | trans | -95.8 | 111.1 | -176.6 | -174.5 | -2.9 | 0 | 0 | 0 | 111.7 | D2117 T2118 F2121 | D2115-D2117 VanDerWaalsContact C-N 3.26Å; D2115-D2117 PolarHBondContact O-N 3.39Å; D2115-D2117 PolarHBondContact OD1-N 3.01Å; D2115-D2117 VanDerWaalsContact OD1-N 3.07Å; D2115-T2118 HydrophobicContact CB-CG2 3.84Å; D2115-T2118 PolarHBondContact O-N 3.36Å; D2115-T2118 PolarHBondContact O-OG1 2.84Å; D2115-F2121 WeakPolarHBondContact O-CB 3.3Å | ||
| 2116 | P | 79.8 | Confident | 88.2 | Confident | 82 Ų | 82 | 58.4 Ų | 58.4 | 53% | 0.532 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -14.6 | -176.9 | 32.1 | -37.6 | 0 | 0 | 0 | 114.3 | T2114 T2118 F2121 | T2114-P2116 WeakPolarHBondContact O-CD 3.37Å; P2116-T2118 PolarHBondContact O-N 3.21Å; P2116-F2121 HydrophobicContact CB-CD1 4Å; P2116-F2121 HydrophobicContact CB-CE1 3.94Å; P2116-F2121 HydrophobicContact CB-CG 4.44Å; P2116-F2121 HydrophobicContact CB-CZ 4.33Å |
| 2117 | D | 78.6 | Confident | 88.2 | Confident | 156 Ų | 156 | 58.2 Ų | 58.2 | 83% | 0.834 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -0.2 | 176.8 | -69.6 | -23.2 | 0 | 0 | 0 | 112 | D2115 | D2115-D2117 VanDerWaalsContact C-N 3.26Å; D2115-D2117 PolarHBondContact O-N 3.39Å; D2115-D2117 PolarHBondContact OD1-N 3.01Å; D2115-D2117 VanDerWaalsContact OD1-N 3.07Å |
| 2118 | T | 84 | Confident | 88.3 | Confident | 46 Ų | 46 | 58.1 Ų | 58.1 | 28% | 0.282 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -90.2 | 141.1 | 179.9 | 67.7 | 0 | 0 | 0 | 0 | 113.7 | D2115 P2116 V2120 F2121 D2122 | D2115-T2118 HydrophobicContact CB-CG2 3.84Å; D2115-T2118 PolarHBondContact O-N 3.36Å; D2115-T2118 PolarHBondContact O-OG1 2.84Å; P2116-T2118 PolarHBondContact O-N 3.21Å; T2118-V2120 PolarHBondContact O-N 3.33Å; T2118-V2120 VanDerWaalsContact O-N 3.14Å; T2118-F2121 PolarHBondContact O-N 3.46Å; T2118-F2121 VanDerWaalsContact O-N 3.14Å; T2118-F2121 WeakPolarHBondContact OG1-CB 3.45Å; T2118-F2121 PolarHBondContact OG1-N 2.99Å; T2118-D2122 PolarHBondContact O-N 3.2Å |
| 2119 | Q | 83.1 | Confident | 88.2 | Confident | 108 Ų | 108 | 61.3 Ų | 61.3 | 51% | 0.505 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -57.8 | -28 | 173 | -173.1 | 64.2 | 70.8 | 0 | 0 | 112.6 | D2123 | Q2119-D2123 PolarHBondContact NE2-OD1 3.45Å; Q2119-D2123 VanDerWaalsContact O-CB 3.26Å; Q2119-D2123 WeakPolarHBondContact O-CB 3.3Å; Q2119-D2123 PolarHBondContact O-N 3.16Å |
| 2120 | V | 87.7 | Confident | 88.4 | Confident | 27 Ų | 27 | 62.5 Ų | 62.5 | 16% | 0.164 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -71.2 | -40.3 | 178.5 | -170.4 | 0 | 0 | 0 | 0 | 111.3 | Y2036 N2113 T2118 D2123 T2124 | Y2036-V2120 HydrophobicContact CD1-CG2 4.09Å; Y2036-V2120 HydrophobicContact CD2-CG1 4.29Å; Y2036-V2120 HydrophobicContact CD2-CG2 4.23Å; Y2036-V2120 HydrophobicContact CE1-CG2 3.85Å; Y2036-V2120 HydrophobicContact CE2-CG2 4.01Å; Y2036-V2120 HydrophobicContact CG-CG1 4.19Å; Y2036-V2120 HydrophobicContact CG-CG2 4.28Å; N2113-V2120 HydrophobicContact CB-CG1 4.47Å; T2118-V2120 PolarHBondContact O-N 3.33Å; T2118-V2120 VanDerWaalsContact O-N 3.14Å; V2120-D2123 PolarHBondContact O-N 3.29Å; V2120-T2124 WeakPolarHBondContact O-CB 3.43Å; V2120-T2124 PolarHBondContact O-N 3.28Å; V2120-T2124 PolarHBondContact O-OG1 3.28Å |
| 2121 | F | 88 | Confident | 88.4 | Confident | 56 Ų | 56 | 59 Ų | 59 | 25% | 0.246 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.2 | -44.7 | 173.2 | -171.8 | -88.4 | 0 | 0 | 0 | 111.1 | N2113 D2115 P2116 T2118 D2123 T2124 L2125 | N2113-F2121 WeakPolarHBondContact O-CD2 3.21Å; D2115-F2121 WeakPolarHBondContact O-CB 3.3Å; P2116-F2121 HydrophobicContact CB-CD1 4Å; P2116-F2121 HydrophobicContact CB-CE1 3.94Å; P2116-F2121 HydrophobicContact CB-CG 4.44Å; P2116-F2121 HydrophobicContact CB-CZ 4.33Å; T2118-F2121 PolarHBondContact O-N 3.46Å; T2118-F2121 VanDerWaalsContact O-N 3.14Å; T2118-F2121 WeakPolarHBondContact OG1-CB 3.45Å; T2118-F2121 PolarHBondContact OG1-N 2.99Å; F2121-D2123 VanDerWaalsContact C-N 3.34Å; F2121-D2123 PolarHBondContact O-N 3.23Å; F2121-T2124 WeakPolarHBondContact O-CB 3.42Å; F2121-T2124 PolarHBondContact O-N 2.66Å; F2121-T2124 VanDerWaalsContact O-N 3.14Å; F2121-L2125 PolarHBondContact O-N 3.41Å |
| 2122 | D | 89.1 | Confident | 88.3 | Confident | 77 Ų | 77 | 57.6 Ų | 57.6 | 41% | 0.412 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.5 | -37.4 | 178.8 | -154.6 | 53.7 | 0 | 0 | 0 | 112.1 | R2033 T2118 W2126 | R2033-D2122 IonicContact CZ-OD2 3.49Å; R2033-D2122 IonicContact NH1-OD2 3.87Å; R2033-D2122 PolarHBondContact NH2-O 2.96Å; R2033-D2122 VanDerWaalsContact NH2-O 3.13Å; R2033-D2122 IonicContact NH2-OD2 3.18Å; R2033-D2122 PolarHBondContact NH2-OD2 2.91Å; T2118-D2122 PolarHBondContact O-N 3.2Å; D2122-W2126 PolarHBondContact O-N 2.88Å; D2122-W2126 VanDerWaalsContact O-N 3.09Å |
| 2123 | D | 94.5 | Very high | 88.2 | Confident | 9 Ų | 9 | 61 Ų | 61 | 5% | 0.048 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -72.6 | -29.5 | 172.9 | -76.1 | 13.2 | 0 | 0 | 0 | 112.6 | R2033 F2037 Q2119 V2120 F2121 W2126 L2127 | R2033-D2123 WeakPolarHBondContact CA-OD2 3.4Å; R2033-D2123 HydrophobicContact CB-CB 4.35Å; R2033-D2123 IonicContact CZ-OD1 2.77Å; R2033-D2123 IonicContact NE-OD1 3.68Å; R2033-D2123 PolarHBondContact NE-OD1 3.26Å; R2033-D2123 IonicContact NH2-OD1 3.87Å; R2033-D2123 PolarHBondContact NH2-OD1 2.92Å; F2037-D2123 HydrophobicContact CE2-CB 4.44Å; Q2119-D2123 PolarHBondContact NE2-OD1 3.45Å; Q2119-D2123 VanDerWaalsContact O-CB 3.26Å; Q2119-D2123 WeakPolarHBondContact O-CB 3.3Å; Q2119-D2123 PolarHBondContact O-N 3.16Å; V2120-D2123 PolarHBondContact O-N 3.29Å; F2121-D2123 VanDerWaalsContact C-N 3.34Å; F2121-D2123 PolarHBondContact O-N 3.23Å; D2123-W2126 PolarHBondContact O-N 3.45Å; D2123-L2127 PolarHBondContact O-N 2.94Å |
| 2124 | T | 93.8 | Very high | 88.3 | Confident | 2 Ų | 2 | 61.3 Ų | 61.3 | 1% | 0.012 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -69.4 | -43.3 | 173.3 | -59.2 | 0 | 0 | 0 | 0 | 111 | F2037 V2106 A2109 K2110 V2120 F2121 W2126 L2127 E2128 | F2037-T2124 WeakPolarHBondContact CZ-OG1 3.47Å; V2106-T2124 HydrophobicContact CG1-CG2 4.43Å; A2109-T2124 HydrophobicContact CB-CG2 3.57Å; K2110-T2124 HydrophobicContact CG-CG2 3.78Å; V2120-T2124 WeakPolarHBondContact O-CB 3.43Å; V2120-T2124 PolarHBondContact O-N 3.28Å; V2120-T2124 PolarHBondContact O-OG1 3.28Å; F2121-T2124 WeakPolarHBondContact O-CB 3.42Å; F2121-T2124 PolarHBondContact O-N 2.66Å; F2121-T2124 VanDerWaalsContact O-N 3.14Å; T2124-W2126 VanDerWaalsContact C-N 3.27Å; T2124-W2126 PolarHBondContact O-N 3.44Å; T2124-L2127 PolarHBondContact O-N 3Å; T2124-E2128 PolarHBondContact O-N 3.21Å |
| 2125 | L | 89.9 | Confident | 88.4 | Confident | 71 Ų | 71 | 56.2 Ų | 56.2 | 37% | 0.372 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.8 | -33.7 | 174.3 | -156.8 | 76.6 | 0 | 0 | 0 | 111.2 | F2121 N2129 | F2121-L2125 PolarHBondContact O-N 3.41Å; L2125-N2129 PolarHBondContact O-N 3.35Å; L2125-N2129 PolarHBondContact O-ND2 3.34Å |
| 2126 | W | 93.9 | Very high | 88.5 | Confident | 45 Ų | 45 | 53.5 Ų | 53.5 | 17% | 0.17 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.7 | -44.1 | 170.3 | 173 | 79.5 | 0 | 0 | 0 | 112.7 | L2028 H2031 R2033 D2122 D2123 T2124 E2128 N2129 W2130 | L2028-W2126 HydrophobicContact CD1-CH2 3.51Å; L2028-W2126 HydrophobicContact CD1-CZ3 3.74Å; H2031-W2126 HydrophobicContact CB-CH2 3.97Å; H2031-W2126 HydrophobicContact CB-CZ2 4.4Å; H2031-W2126 AromaticContact CE1-CE2 3.38Å; H2031-W2126 AromaticContact CE1-CH2 3.78Å; H2031-W2126 AromaticContact CE1-CZ2 3.24Å; H2031-W2126 WeakPolarHBondContact CE1-CZ2 3.31Å; H2031-W2126 AromaticContact CE1-NE1 3.78Å; H2031-W2126 AromaticContact CG-CH2 3.63Å; H2031-W2126 AromaticContact CG-CZ2 3.64Å; H2031-W2126 AromaticContact ND1-CE2 3.57Å; H2031-W2126 AromaticContact ND1-CH2 3.05Å; H2031-W2126 WeakPolarHBondContact ND1-CH2 3.27Å; H2031-W2126 AromaticContact ND1-CZ2 3.03Å; H2031-W2126 WeakPolarHBondContact ND1-CZ2 3.34Å; H2031-W2126 AromaticContact ND1-CZ3 3.6Å; H2031-W2126 AromaticContact NE2-CZ2 3.97Å; R2033-W2126 HydrophobicContact CB-CD2 3.82Å; R2033-W2126 HydrophobicContact CB-CE3 3.52Å; R2033-W2126 HydrophobicContact CB-CG 4.36Å; R2033-W2126 HydrophobicContact CB-CZ3 4.02Å; R2033-W2126 HydrophobicContact CG-CD2 4.43Å; D2122-W2126 PolarHBondContact O-N 2.88Å; D2122-W2126 VanDerWaalsContact O-N 3.09Å; D2123-W2126 PolarHBondContact O-N 3.45Å; T2124-W2126 VanDerWaalsContact C-N 3.27Å; T2124-W2126 PolarHBondContact O-N 3.44Å; W2126-E2128 PolarHBondContact O-N 3.27Å; W2126-N2129 PolarHBondContact O-N 2.83Å; W2126-W2130 HydrophobicContact CH2-CB 4.36Å; W2126-W2130 HydrophobicContact CH2-CG 4.19Å; W2126-W2130 HydrophobicContact CZ2-CB 4.07Å; W2126-W2130 AromaticContact CZ2-CD1 3.81Å; W2126-W2130 AromaticContact CZ2-CG 3.94Å; W2126-W2130 HydrophobicContact CZ2-CG 3.94Å; W2126-W2130 WeakPolarHBondContact O-CB 3.4Å; W2126-W2130 PolarHBondContact O-N 3.18Å |
| 2127 | L | 95.2 | Very high | 88.4 | Confident | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.7 | -43.6 | 178.1 | 178.7 | 66 | 0 | 0 | 0 | 111.6 | L2028 F2037 I2105 V2106 D2123 T2124 N2129 W2130 V2131 | L2028-L2127 HydrophobicContact CD1-CD1 3.92Å; L2028-L2127 HydrophobicContact CD2-CD1 3.87Å; F2037-L2127 HydrophobicContact CB-CD2 4.47Å; F2037-L2127 HydrophobicContact CD1-CD2 4.29Å; F2037-L2127 HydrophobicContact CD2-CD2 3.74Å; F2037-L2127 HydrophobicContact CE2-CB 4.2Å; F2037-L2127 HydrophobicContact CE2-CD2 4.02Å; F2037-L2127 HydrophobicContact CG-CD2 3.89Å; F2037-L2127 HydrophobicContact CZ-CD2 4.42Å; I2105-L2127 HydrophobicContact CG2-CD2 3.77Å; V2106-L2127 HydrophobicContact CG2-CD2 3.89Å; V2106-L2127 HydrophobicContact CG2-CG 3.92Å; D2123-L2127 PolarHBondContact O-N 2.94Å; T2124-L2127 PolarHBondContact O-N 3Å; L2127-N2129 PolarHBondContact O-N 3.09Å; L2127-W2130 PolarHBondContact O-N 2.79Å; L2127-V2131 HydrophobicContact CD1-CG2 4.26Å; L2127-V2131 HydrophobicContact CG-CG2 4.46Å; L2127-V2131 WeakPolarHBondContact O-CG2 3.31Å; L2127-V2131 PolarHBondContact O-N 2.87Å |
| 2128 | E | 95 | Very high | 88.3 | Confident | 53 Ų | 53 | 46.9 Ų | 46.9 | 25% | 0.248 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56 | -50.8 | 176.4 | -179.3 | 170.5 | -126.2 | 0 | 0 | 112.1 | V2106 K2110 T2124 W2126 W2130 V2131 N2132 | V2106-E2128 HydrophobicContact CG1-CB 3.79Å; V2106-E2128 HydrophobicContact CG1-CG 4.1Å; V2106-E2128 HydrophobicContact CG2-CB 4.41Å; K2110-E2128 WeakPolarHBondContact CE-OE2 3.14Å; K2110-E2128 IonicContact NZ-OE1 3.5Å; K2110-E2128 PolarHBondContact NZ-OE1 2.94Å; K2110-E2128 IonicContact NZ-OE2 3.65Å; K2110-E2128 PolarHBondContact NZ-OE2 2.92Å; T2124-E2128 PolarHBondContact O-N 3.21Å; W2126-E2128 PolarHBondContact O-N 3.27Å; E2128-W2130 VanDerWaalsContact C-N 3.34Å; E2128-W2130 PolarHBondContact O-N 2.82Å; E2128-V2131 PolarHBondContact O-N 2.88Å; E2128-N2132 WeakPolarHBondContact O-CB 3.39Å; E2128-N2132 PolarHBondContact O-N 2.95Å; E2128-N2132 PolarHBondContact O-ND2 3.06Å; E2128-N2132 VanDerWaalsContact O-ND2 3.09Å |
| 2129 | N | 92.2 | Very high | 88 | Confident | 80 Ų | 80 | 45 Ų | 45 | 43% | 0.428 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.8 | -40.5 | 176.9 | -70.4 | -57.4 | 0 | 0 | 0 | 111.4 | L2125 W2126 L2127 V2131 N2132 D2133 | L2125-N2129 PolarHBondContact O-N 3.35Å; L2125-N2129 PolarHBondContact O-ND2 3.34Å; W2126-N2129 PolarHBondContact O-N 2.83Å; L2127-N2129 PolarHBondContact O-N 3.09Å; N2129-V2131 PolarHBondContact O-N 2.93Å; N2129-N2132 PolarHBondContact O-N 3.35Å; N2129-D2133 VanDerWaalsContact O-CB 3.27Å; N2129-D2133 WeakPolarHBondContact O-CB 3.41Å; N2129-D2133 PolarHBondContact O-N 3.29Å |
| 2130 | W | 92.6 | Very high | 87.5 | Confident | 32 Ų | 32 | 43.9 Ų | 43.9 | 12% | 0.121 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.4 | -38.3 | 178.8 | -169.8 | 88.6 | 0 | 0 | 0 | 113.1 | L2024 L2028 W2126 L2127 E2128 V2134 I2135 | L2024-W2130 HydrophobicContact CB-CH2 4.3Å; L2024-W2130 WeakPolarHBondContact O-CH2 3.16Å; L2028-W2130 HydrophobicContact CB-CH2 3.75Å; L2028-W2130 HydrophobicContact CB-CZ2 4.29Å; L2028-W2130 HydrophobicContact CB-CZ3 3.87Å; L2028-W2130 HydrophobicContact CD1-CD2 4.3Å; L2028-W2130 HydrophobicContact CD1-CE3 3.99Å; L2028-W2130 HydrophobicContact CD1-CZ3 4.15Å; L2028-W2130 HydrophobicContact CD2-CE3 4.08Å; L2028-W2130 HydrophobicContact CD2-CH2 4.41Å; L2028-W2130 HydrophobicContact CD2-CZ3 3.67Å; L2028-W2130 HydrophobicContact CG-CE3 4.43Å; L2028-W2130 HydrophobicContact CG-CH2 4.47Å; L2028-W2130 HydrophobicContact CG-CZ3 4.1Å; W2126-W2130 HydrophobicContact CH2-CB 4.36Å; W2126-W2130 HydrophobicContact CH2-CG 4.19Å; W2126-W2130 HydrophobicContact CZ2-CB 4.07Å; W2126-W2130 AromaticContact CZ2-CD1 3.81Å; W2126-W2130 AromaticContact CZ2-CG 3.94Å; W2126-W2130 HydrophobicContact CZ2-CG 3.94Å; W2126-W2130 WeakPolarHBondContact O-CB 3.4Å; W2126-W2130 PolarHBondContact O-N 3.18Å; L2127-W2130 PolarHBondContact O-N 2.79Å; E2128-W2130 VanDerWaalsContact C-N 3.34Å; E2128-W2130 PolarHBondContact O-N 2.82Å; W2130-V2134 HydrophobicContact CD2-CB 4.35Å; W2130-V2134 HydrophobicContact CD2-CG2 4.45Å; W2130-V2134 HydrophobicContact CG-CG2 4.21Å; W2130-V2134 HydrophobicContact CZ2-CB 4.4Å; W2130-V2134 HydrophobicContact CZ2-CG1 4.1Å; W2130-V2134 VanDerWaalsContact O-CB 3.25Å; W2130-V2134 WeakPolarHBondContact O-CB 3.44Å; W2130-V2134 PolarHBondContact O-N 3.32Å; W2130-I2135 HydrophobicContact CE3-CD1 4.38Å; W2130-I2135 HydrophobicContact CE3-CG1 4.41Å; W2130-I2135 HydrophobicContact CH2-CD1 3.76Å; W2130-I2135 HydrophobicContact CH2-CG1 3.84Å; W2130-I2135 HydrophobicContact CZ3-CD1 3.36Å; W2130-I2135 HydrophobicContact CZ3-CG1 3.62Å |
| 2131 | V | 92.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | I | π-helix | trans | -64 | -44.7 | 173.3 | 172.6 | 0 | 0 | 0 | 0 | 110.7 | L2099 L2102 L2127 E2128 N2129 I2135 T2136 | L2099-V2131 HydrophobicContact CD1-CG1 4.07Å; L2102-V2131 HydrophobicContact CB-CG1 4.29Å; L2102-V2131 HydrophobicContact CB-CG2 4.33Å; L2127-V2131 HydrophobicContact CD1-CG2 4.26Å; L2127-V2131 HydrophobicContact CG-CG2 4.46Å; L2127-V2131 WeakPolarHBondContact O-CG2 3.31Å; L2127-V2131 PolarHBondContact O-N 2.87Å; E2128-V2131 PolarHBondContact O-N 2.88Å; N2129-V2131 PolarHBondContact O-N 2.93Å; V2131-I2135 PolarHBondContact O-N 3.09Å; V2131-T2136 PolarHBondContact O-N 2.9Å; V2131-T2136 PolarHBondContact O-OG1 3.12Å |
| 2132 | N | 88.4 | Confident | 85.8 | Confident | 76 Ų | 76 | 50.4 Ų | 50.4 | 41% | 0.406 | 25% | 0.254 | S | S | . | . | I | π-helix | trans | -69.4 | -42.9 | -179.4 | -73 | -37.4 | 0 | 0 | 0 | 113.9 | E2128 N2129 P2137 | E2128-N2132 WeakPolarHBondContact O-CB 3.39Å; E2128-N2132 PolarHBondContact O-N 2.95Å; E2128-N2132 PolarHBondContact O-ND2 3.06Å; E2128-N2132 VanDerWaalsContact O-ND2 3.09Å; N2129-N2132 PolarHBondContact O-N 3.35Å; N2132-P2137 WeakPolarHBondContact O-CD 3.27Å |
| 2133 | D | 86.5 | Confident | 84.6 | Confident | 121 Ų | 121 | 47.3 Ų | 47.3 | 65% | 0.647 | 24% | 0.239 | S | C | * | . | I | π-helix | trans | -84.3 | -29.3 | -175.1 | -69.4 | -25 | 0 | 0 | 0 | 113.3 | N2129 | N2129-D2133 VanDerWaalsContact O-CB 3.27Å; N2129-D2133 WeakPolarHBondContact O-CB 3.41Å; N2129-D2133 PolarHBondContact O-N 3.29Å |
| 2134 | V | 87.1 | Confident | 82.9 | Confident | 50 Ų | 50 | 52.3 Ų | 52.3 | 30% | 0.303 | 26% | 0.262 | S | S | . | . | I | π-helix | trans | -112.5 | -53.1 | -170.9 | -170.8 | 0 | 0 | 0 | 0 | 112.9 | L2024 W2130 C2138 | L2024-V2134 HydrophobicContact CD2-CG1 4Å; W2130-V2134 HydrophobicContact CD2-CB 4.35Å; W2130-V2134 HydrophobicContact CD2-CG2 4.45Å; W2130-V2134 HydrophobicContact CG-CG2 4.21Å; W2130-V2134 HydrophobicContact CZ2-CB 4.4Å; W2130-V2134 HydrophobicContact CZ2-CG1 4.1Å; W2130-V2134 VanDerWaalsContact O-CB 3.25Å; W2130-V2134 WeakPolarHBondContact O-CB 3.44Å; W2130-V2134 PolarHBondContact O-N 3.32Å; V2134-C2138 PolarHBondContact O-SG 3.28Å |
| 2135 | I | 84.4 | Confident | 81 | Confident | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | I | π-helix | trans | -78.6 | -48.4 | -175.8 | -77.2 | -168.8 | 0 | 0 | 0 | 111.9 | L2024 I2025 L2102 W2130 V2131 C2138 L2139 | L2024-I2135 HydrophobicContact CB-CD1 4.44Å; L2024-I2135 HydrophobicContact CB-CG1 4.41Å; L2024-I2135 HydrophobicContact CD1-CG1 4.31Å; I2025-I2135 HydrophobicContact CD1-CD1 4.49Å; L2102-I2135 HydrophobicContact CD1-CD1 3.58Å; L2102-I2135 HydrophobicContact CD1-CG2 3.83Å; W2130-I2135 HydrophobicContact CE3-CD1 4.38Å; W2130-I2135 HydrophobicContact CE3-CG1 4.41Å; W2130-I2135 HydrophobicContact CH2-CD1 3.76Å; W2130-I2135 HydrophobicContact CH2-CG1 3.84Å; W2130-I2135 HydrophobicContact CZ3-CD1 3.36Å; W2130-I2135 HydrophobicContact CZ3-CG1 3.62Å; V2131-I2135 PolarHBondContact O-N 3.09Å; I2135-C2138 WeakPolarHBondContact O-CA 3.47Å; I2135-C2138 WeakPolarHBondContact O-CB 3.42Å; I2135-C2138 PolarHBondContact O-N 3.11Å; I2135-L2139 HydrophobicContact CG2-CD1 3.44Å; I2135-L2139 VanDerWaalsContact CG2-CD1 3.44Å; I2135-L2139 HydrophobicContact CG2-CG 3.85Å; I2135-L2139 PolarHBondContact O-N 2.81Å |
| 2136 | T | 82.4 | Confident | 79.1 | Confident | 26 Ų | 26 | 53.2 Ų | 53.2 | 16% | 0.16 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -56.5 | -45.1 | -175.1 | -59 | 0 | 0 | 0 | 0 | 112.8 | L2099 V2131 C2138 L2139 L2140 | L2099-T2136 WeakPolarHBondContact CD1-OG1 3.46Å; L2099-T2136 HydrophobicContact CD2-CG2 4.28Å; V2131-T2136 PolarHBondContact O-N 2.9Å; V2131-T2136 PolarHBondContact O-OG1 3.12Å; T2136-C2138 VanDerWaalsContact C-N 3.3Å; T2136-C2138 PolarHBondContact O-N 2.74Å; T2136-L2139 PolarHBondContact O-N 3.03Å; T2136-L2140 HydrophobicContact CG2-CD1 3.83Å; T2136-L2140 HydrophobicContact CG2-CG 4.26Å; T2136-L2140 WeakPolarHBondContact O-CB 3.24Å; T2136-L2140 VanDerWaalsContact O-CG 3.28Å; T2136-L2140 WeakPolarHBondContact O-CG 3.42Å; T2136-L2140 PolarHBondContact O-N 2.98Å |
| 2137 | P | 78.5 | Confident | 76.9 | Confident | 56 Ų | 56 | 55.6 Ų | 55.6 | 36% | 0.364 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -68.7 | -26.2 | 176.6 | -20.7 | 35.4 | 0 | 0 | 0 | 113.7 | N2132 R2141 | N2132-P2137 WeakPolarHBondContact O-CD 3.27Å; P2137-R2141 WeakPolarHBondContact O-CG 3.34Å |
| 2138 | C | 75.9 | Confident | 74.6 | Confident | 43 Ų | 43 | 60.3 Ų | 60.3 | 29% | 0.291 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -72.2 | -47.5 | 173.4 | -72.9 | 0 | 0 | 0 | 0 | 111.3 | L2024 V2134 I2135 T2136 R2141 F2142 | L2024-C2138 HydrophobicContact CD1-CB 4.12Å; V2134-C2138 PolarHBondContact O-SG 3.28Å; I2135-C2138 WeakPolarHBondContact O-CA 3.47Å; I2135-C2138 WeakPolarHBondContact O-CB 3.42Å; I2135-C2138 PolarHBondContact O-N 3.11Å; T2136-C2138 VanDerWaalsContact C-N 3.3Å; T2136-C2138 PolarHBondContact O-N 2.74Å; C2138-R2141 PolarHBondContact O-N 2.85Å; C2138-F2142 WeakPolarHBondContact O-CD2 3.48Å |
| 2139 | L | 78.3 | Confident | 71.8 | Confident | 7 Ų | 7 | 60.7 Ų | 60.7 | 4% | 0.037 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -69 | -36.5 | 179.6 | -63.7 | 179.9 | 0 | 0 | 0 | 112.5 | W2017 P2095 L2098 L2099 I2135 T2136 R2141 F2142 T2143 | W2017-L2139 HydrophobicContact CE3-CD2 4.39Å; P2095-L2139 HydrophobicContact CB-CD2 4.41Å; L2098-L2139 HydrophobicContact CB-CD1 4.48Å; L2098-L2139 HydrophobicContact CD2-CD1 3.94Å; L2098-L2139 HydrophobicContact CD2-CD2 3.89Å; L2098-L2139 HydrophobicContact CG-CD1 4.1Å; L2099-L2139 HydrophobicContact CB-CD1 4.01Å; I2135-L2139 HydrophobicContact CG2-CD1 3.44Å; I2135-L2139 VanDerWaalsContact CG2-CD1 3.44Å; I2135-L2139 HydrophobicContact CG2-CG 3.85Å; I2135-L2139 PolarHBondContact O-N 2.81Å; T2136-L2139 PolarHBondContact O-N 3.03Å; L2139-R2141 VanDerWaalsContact C-N 3.33Å; L2139-R2141 PolarHBondContact O-N 2.66Å; L2139-F2142 PolarHBondContact O-N 3.36Å; L2139-T2143 PolarHBondContact O-N 3.11Å |
| 2140 | L | 71.7 | Confident | 69.1 | Low | 85 Ų | 85 | 63.5 Ų | 63.5 | 45% | 0.445 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.8 | -40.1 | 176.8 | -77.3 | 172.5 | 0 | 0 | 0 | 112.5 | T2136 F2142 T2143 E2144 | T2136-L2140 HydrophobicContact CG2-CD1 3.83Å; T2136-L2140 HydrophobicContact CG2-CG 4.26Å; T2136-L2140 WeakPolarHBondContact O-CB 3.24Å; T2136-L2140 VanDerWaalsContact O-CG 3.28Å; T2136-L2140 WeakPolarHBondContact O-CG 3.42Å; T2136-L2140 PolarHBondContact O-N 2.98Å; L2140-F2142 PolarHBondContact O-N 3.02Å; L2140-T2143 WeakPolarHBondContact CA-OG1 3.28Å; L2140-T2143 PolarHBondContact O-N 3.13Å; L2140-T2143 PolarHBondContact O-OG1 3.37Å; L2140-E2144 WeakPolarHBondContact O-CB 3.11Å; L2140-E2144 WeakPolarHBondContact O-CG 3.45Å; L2140-E2144 PolarHBondContact O-N 2.96Å |
| 2141 | R | 72.5 | Confident | 66.1 | Low | 180 Ų | 180 | 67.5 Ų | 67.5 | 68% | 0.679 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -60.2 | -33.1 | 173.4 | -72.3 | 171.5 | -178.1 | -172.3 | 3.5 | 112.9 | P2137 C2138 L2139 S2145 | P2137-R2141 WeakPolarHBondContact O-CG 3.34Å; C2138-R2141 PolarHBondContact O-N 2.85Å; L2139-R2141 VanDerWaalsContact C-N 3.33Å; L2139-R2141 PolarHBondContact O-N 2.66Å; R2141-S2145 WeakPolarHBondContact O-CB 3.44Å; R2141-S2145 PolarHBondContact O-N 3.38Å; R2141-S2145 VanDerWaalsContact O-N 3.16Å |
| 2142 | F | 66.7 | Low | 62.9 | Low | 39 Ų | 39 | 71.7 Ų | 71.7 | 17% | 0.171 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -76.2 | -40.9 | 174.7 | -67.9 | -63.2 | 0 | 0 | 0 | 111.9 | W2017 D2020 C2138 L2139 L2140 E2144 S2145 F2146 | W2017-F2142 HydrophobicContact CB-CB 4.07Å; W2017-F2142 HydrophobicContact CB-CD1 3.57Å; W2017-F2142 HydrophobicContact CB-CD2 3.5Å; W2017-F2142 VanDerWaalsContact CB-CD2 3.5Å; W2017-F2142 HydrophobicContact CB-CE1 3.78Å; W2017-F2142 HydrophobicContact CB-CE2 3.71Å; W2017-F2142 HydrophobicContact CB-CG 3.43Å; W2017-F2142 VanDerWaalsContact CB-CG 3.43Å; W2017-F2142 HydrophobicContact CB-CZ 3.85Å; W2017-F2142 HydrophobicContact CG-CG 4.49Å; D2020-F2142 HydrophobicContact CB-CE2 4.48Å; D2020-F2142 HydrophobicContact CB-CZ 4.47Å; D2020-F2142 WeakPolarHBondContact OD2-CZ 3.41Å; C2138-F2142 WeakPolarHBondContact O-CD2 3.48Å; L2139-F2142 PolarHBondContact O-N 3.36Å; L2140-F2142 PolarHBondContact O-N 3.02Å; F2142-E2144 PolarHBondContact O-N 3.2Å; F2142-S2145 CarbonylContact O-C 3.47Å; F2142-S2145 WeakPolarHBondContact O-CA 3.44Å; F2142-S2145 WeakPolarHBondContact O-CB 2.86Å; F2142-S2145 PolarHBondContact O-N 3.38Å; F2142-S2145 VanDerWaalsContact O-N 3.09Å; F2142-F2146 WeakPolarHBondContact O-CD2 3.32Å; F2142-F2146 PolarHBondContact O-N 3.16Å |
| 2143 | T | 64.3 | Low | 59.8 | Low | 13 Ų | 13 | 73 Ų | 73 | 8% | 0.08 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -63.7 | -40.7 | 173.8 | 52.9 | 0 | 0 | 0 | 0 | 112.2 | P2095 R2096 L2139 L2140 S2145 F2146 D2147 | P2095-T2143 HydrophobicContact CB-CG2 4.2Å; R2096-T2143 HydrophobicContact CG-CG2 4.04Å; L2139-T2143 PolarHBondContact O-N 3.11Å; L2140-T2143 WeakPolarHBondContact CA-OG1 3.28Å; L2140-T2143 PolarHBondContact O-N 3.13Å; L2140-T2143 PolarHBondContact O-OG1 3.37Å; T2143-S2145 PolarHBondContact O-N 3.1Å; T2143-F2146 PolarHBondContact O-N 3.14Å; T2143-D2147 WeakPolarHBondContact O-CB 3.21Å; T2143-D2147 PolarHBondContact O-N 3.17Å |
| 2144 | E | 58.8 | Low | 56.8 | Low | 113 Ų | 113 | 73.3 Ų | 73.3 | 53% | 0.528 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -59 | -36.2 | 171.1 | -73.5 | 175.3 | -178.4 | 0 | 0 | 111.9 | L2140 F2142 F2146 N2148 | L2140-E2144 WeakPolarHBondContact O-CB 3.11Å; L2140-E2144 WeakPolarHBondContact O-CG 3.45Å; L2140-E2144 PolarHBondContact O-N 2.96Å; F2142-E2144 PolarHBondContact O-N 3.2Å; E2144-F2146 VanDerWaalsContact C-N 3.32Å; E2144-F2146 PolarHBondContact O-N 2.88Å; E2144-N2148 WeakPolarHBondContact O-CB 3.42Å; E2144-N2148 PolarHBondContact O-N 3.45Å; E2144-N2148 VanDerWaalsContact O-N 3.08Å; E2144-N2148 PolarHBondContact O-ND2 3.22Å |
| 2145 | S | 54 | Low | 53.7 | Low | 58 Ų | 58 | 77.6 Ų | 77.6 | 41% | 0.406 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -72.5 | -19.9 | 174.4 | -172.9 | 0 | 0 | 0 | 0 | 114.1 | R2141 F2142 T2143 | R2141-S2145 WeakPolarHBondContact O-CB 3.44Å; R2141-S2145 PolarHBondContact O-N 3.38Å; R2141-S2145 VanDerWaalsContact O-N 3.16Å; F2142-S2145 CarbonylContact O-C 3.47Å; F2142-S2145 WeakPolarHBondContact O-CA 3.44Å; F2142-S2145 WeakPolarHBondContact O-CB 2.86Å; F2142-S2145 PolarHBondContact O-N 3.38Å; F2142-S2145 VanDerWaalsContact O-N 3.09Å; T2143-S2145 PolarHBondContact O-N 3.1Å |
| 2146 | F | 50.2 | Low | 50.7 | Low | 34 Ų | 34 | 86.3 Ų | 86.3 | 15% | 0.149 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -83.6 | -46.7 | 170.5 | -72.8 | -66.1 | 0 | 0 | 0 | 110.8 | P2095 F2142 T2143 E2144 | P2095-F2146 HydrophobicContact CG-CE2 4.07Å; F2142-F2146 WeakPolarHBondContact O-CD2 3.32Å; F2142-F2146 PolarHBondContact O-N 3.16Å; T2143-F2146 PolarHBondContact O-N 3.14Å; E2144-F2146 VanDerWaalsContact C-N 3.32Å; E2144-F2146 PolarHBondContact O-N 2.88Å |
| 2147 | D | 49 | Very low | 47.8 | Very low | 95 Ų | 95 | 94.2 Ų | 94.2 | 51% | 0.508 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -73.2 | -27.9 | -173 | -66.5 | -39 | 0 | 0 | 0 | 113.4 | R2096 T2143 | R2096-D2147 IonicContact NH2-OD1 2.67Å; R2096-D2147 IonicContact NH2-OD2 2.72Å; R2096-D2147 PolarHBondContact NH2-OD2 3.07Å; T2143-D2147 WeakPolarHBondContact O-CB 3.21Å; T2143-D2147 PolarHBondContact O-N 3.17Å |
| 2148 | N | 45.8 | Very low | 45 | Very low | 101 Ų | 101 | 99.8 Ų | 99.8 | 54% | 0.54 | 53% | 0.533 | S | S | . | . | S | Bend | trans | -82.4 | -25.8 | -177.9 | -80.1 | -74.4 | 0 | 0 | 0 | 115.4 | E2144 D2150 T2151 | E2144-N2148 WeakPolarHBondContact O-CB 3.42Å; E2144-N2148 PolarHBondContact O-N 3.45Å; E2144-N2148 VanDerWaalsContact O-N 3.08Å; E2144-N2148 PolarHBondContact O-ND2 3.22Å; N2148-D2150 VanDerWaalsContact C-N 3.27Å; N2148-D2150 PolarHBondContact O-N 3.17Å; N2148-T2151 PolarHBondContact O-N 2.95Å; N2148-T2151 PolarHBondContact O-OG1 2.75Å |
| 2149 | D | 37.2 | Very low | 42.3 | Very low | 61 Ų | 61 | 105.3 Ų | 105.3 | 33% | 0.326 | 56% | 0.558 | S | S | . | * | G | 310 helix | trans | -63.6 | -31.4 | -169.8 | -125.2 | 10.7 | 0 | 0 | 0 | 112.3 | K2082 R2086 T2151 | K2082-D2149 IonicContact NZ-OD2 3.48Å; K2082-D2149 PolarHBondContact NZ-OD2 3.12Å; R2086-D2149 IonicContact CZ-OD2 3.25Å; R2086-D2149 IonicContact NH1-OD2 3.9Å; R2086-D2149 PolarHBondContact NH1-OD2 2.89Å; R2086-D2149 IonicContact NH2-OD2 2.67Å; R2086-D2149 PolarHBondContact NH2-OD2 3.19Å; D2149-T2151 PolarHBondContact O-N 3.23Å |
| 2150 | D | 34.7 | Very low | 39.7 | Very low | 139 Ų | 139 | 114 Ų | 114 | 74% | 0.743 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -72 | -11.8 | -175.3 | -76.4 | 0.9 | 0 | 0 | 0 | 114 | N2148 | N2148-D2150 VanDerWaalsContact C-N 3.27Å; N2148-D2150 PolarHBondContact O-N 3.17Å |
| 2151 | T | 29.4 | Very low | 37.3 | Very low | 116 Ų | 116 | 114.4 Ų | 114.4 | 71% | 0.712 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -92.1 | -12.4 | -171.2 | 64.6 | 0 | 0 | 0 | 0 | 115.5 | N2148 D2149 | N2148-T2151 PolarHBondContact O-N 2.95Å; N2148-T2151 PolarHBondContact O-OG1 2.75Å; D2149-T2151 PolarHBondContact O-N 3.23Å |
| 2152 | S | 24.7 | Very low | 34.9 | Very low | 88 Ų | 88 | 113.8 Ų | 113.8 | 62% | 0.615 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -121.5 | -2.8 | -156.7 | 68.6 | 0 | 0 | 0 | 0 | 117.4 | ||
| 2153 | S | 23.2 | Very low | 32.6 | Very low | 105 Ų | 105 | 115.9 Ų | 115.9 | 73% | 0.734 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -118.9 | 15.1 | -161 | 59.9 | 0 | 0 | 0 | 0 | 117.6 | ||
| 2154 | C | 23.4 | Very low | 30.8 | Very low | 126 Ų | 126 | 123 Ų | 123 | 85% | 0.851 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -138.2 | 29.4 | -177.8 | -146.1 | 0 | 0 | 0 | 0 | 117.2 | ||
| 2155 | T | 22.1 | Very low | 29 | Very low | 140 Ų | 140 | 125.9 Ų | 125.9 | 86% | 0.859 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -120.1 | 18.3 | 179.4 | 53 | 0 | 0 | 0 | 0 | 114.6 | ||
| 2156 | K | 21 | Very low | 27.5 | Very low | 188 Ų | 188 | 131.7 Ų | 131.7 | 82% | 0.817 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -145.9 | 72.2 | -176.7 | -126.7 | -175.5 | -174.4 | -174.4 | 0 | 114.8 | ||
| 2157 | M | 21.8 | Very low | 26 | Very low | 192 Ų | 192 | 136.8 Ų | 136.8 | 95% | 0.946 | 74% | 0.736 | S | S | * | * | trans | 179.2 | 109.3 | 138.8 | -99.1 | 169.4 | -69.9 | 0 | 0 | 110.4 | ||||
| 2158 | K | 20.2 | Very low | 24.9 | Very low | 172 Ų | 172 | 140 Ų | 140 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | trans | -145.7 | 147.4 | 161.2 | -165 | 171.6 | -175.1 | 175.5 | 0 | 105.2 | ||||
| 2159 | L | 19.5 | Very low | 23.7 | Very low | 159 Ų | 159 | 142.6 Ų | 142.6 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | trans | 73.7 | 136.1 | -138.1 | -51.4 | 167.1 | 0 | 0 | 0 | 109.8 | ||||
| 2160 | E | 24 | Very low | 23 | Very low | 190 Ų | 190 | 145.3 Ų | 145.3 | 89% | 0.888 | 78% | 0.776 | S | S | * | * | cis | -125.4 | 162 | 9.9 | -65.2 | 173.8 | 150.3 | 0 | 0 | 112.1 | ||||
| 2161 | A | 21.2 | Very low | 22.3 | Very low | 93 Ų | 93 | 150.6 Ų | 150.6 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | -150.1 | 120 | 168 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 2162 | I | 20.7 | Very low | 21.9 | Very low | 167 Ų | 167 | 155.3 Ų | 155.3 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | trans | -168.9 | 149.8 | 171.7 | -105.6 | 150.5 | 0 | 0 | 0 | 110.8 | ||||
| 2163 | S | 19.4 | Very low | 21.8 | Very low | 83 Ų | 83 | 156 Ų | 156 | 58% | 0.58 | 80% | 0.797 | S | S | * | * | trans | 65 | 153.8 | 163.3 | 69.2 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 2164 | H | 27.1 | Very low | 21.7 | Very low | 163 Ų | 163 | 158.3 Ų | 158.3 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | trans | 69.9 | 101.5 | 174.1 | -46.7 | -66.2 | 0 | 0 | 0 | 115.7 | ||||
| 2165 | Q | 19.4 | Very low | 21.7 | Very low | 174 Ų | 174 | 163.9 Ų | 163.9 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | cis | 86.4 | 149.1 | 24.5 | -150.6 | 174.7 | 8.1 | 0 | 0 | 114.7 | ||||
| 2166 | E | 23.2 | Very low | 21.6 | Very low | 180 Ų | 180 | 165.1 Ų | 165.1 | 84% | 0.841 | 80% | 0.799 | S | S | * | * | trans | 73.4 | 118.8 | -166.7 | -54.5 | -178.5 | -178.5 | 0 | 0 | 112.8 | ||||
| 2167 | I | 19.8 | Very low | 21.6 | Very low | 141 Ų | 141 | 161.3 Ų | 161.3 | 72% | 0.723 | 80% | 0.796 | S | S | * | * | cis | 74.6 | 101.2 | 27.3 | -47.3 | 175.9 | 0 | 0 | 0 | 114.4 | ||||
| 2168 | N | 24.1 | Very low | 21.5 | Very low | 163 Ų | 163 | 163.4 Ų | 163.4 | 87% | 0.872 | 79% | 0.793 | S | S | * | * | -163.6 | 158.8 | 123.9 | -108.4 | -63 | 0 | 0 | 0 | 113 | |||||
| 2169 | H | 22 | Very low | 21.6 | Very low | 155 Ų | 155 | 160.5 Ų | 160.5 | 72% | 0.718 | 79% | 0.794 | S | S | * | * | trans | -103 | 156.6 | -170.8 | -101.6 | -102.8 | 0 | 0 | 0 | 114 | ||||
| 2170 | D | 22.8 | Very low | 21.8 | Very low | 118 Ų | 118 | 159.4 Ų | 159.4 | 63% | 0.631 | 80% | 0.795 | S | S | * | * | trans | 34.1 | 132.2 | 145.1 | -54.8 | -37.5 | 0 | 0 | 0 | 122 | ||||
| 2171 | R | 20.3 | Very low | 21.6 | Very low | 249 Ų | 249 | 161.7 Ų | 161.7 | 94% | 0.94 | 80% | 0.795 | S | S | * | * | -161.1 | 144.1 | 117.4 | -105.5 | 157.1 | -157.3 | -140.7 | 3.4 | 113.8 | |||||
| 2172 | Y | 20.1 | Very low | 21.6 | Very low | 215 Ų | 215 | 162.5 Ų | 162.5 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | trans | -96.2 | 173.8 | -179.7 | -94.6 | -109.4 | 0 | 0 | 0 | 112.9 | ||||
| 2173 | S | 23.5 | Very low | 21.7 | Very low | 104 Ų | 104 | 158 Ų | 158 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | 94.6 | 95.1 | 148.3 | 73.8 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 2174 | I | 20.7 | Very low | 21.9 | Very low | 153 Ų | 153 | 161.3 Ų | 161.3 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | 49.1 | 112.3 | 114.8 | -55.9 | 157 | 0 | 0 | 0 | 119.7 | |||||
| 2175 | R | 21.9 | Very low | 21.7 | Very low | 243 Ų | 243 | 159.4 Ų | 159.4 | 92% | 0.917 | 80% | 0.802 | S | S | * | * | trans | -146.2 | 119.8 | 136.9 | -67.5 | -169.1 | 175.6 | 170.1 | -1.9 | 107.5 | ||||
| 2176 | Q | 20.1 | Very low | 21.8 | Very low | 165 Ų | 165 | 155.8 Ų | 155.8 | 77% | 0.771 | 80% | 0.796 | S | S | * | * | 73.3 | 107.3 | 67.8 | -81.3 | -161.3 | -12.2 | 0 | 0 | 116.8 | |||||
| 2177 | S | 21.7 | Very low | 21.8 | Very low | 108 Ų | 108 | 153.8 Ų | 153.8 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | trans | 63.3 | 149 | 145.1 | 74.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 2178 | R | 20.5 | Very low | 22 | Very low | 237 Ų | 237 | 154.2 Ų | 154.2 | 89% | 0.894 | 79% | 0.794 | S | S | * | * | cis | -152.1 | 167.4 | 34.9 | -90.3 | -179.1 | 162 | 137.6 | -5.2 | 112.3 | ||||
| 2179 | S | 22 | Very low | 22.1 | Very low | 110 Ų | 110 | 154.7 Ų | 154.7 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | -107 | 149.7 | 162.2 | 60.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 2180 | T | 22.6 | Very low | 22.1 | Very low | 137 Ų | 137 | 156.8 Ų | 156.8 | 84% | 0.84 | 80% | 0.798 | S | S | * | * | trans | 171.6 | 151.9 | 160.2 | 30.2 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 2181 | R | 19.7 | Very low | 22 | Very low | 237 Ų | 237 | 157 Ų | 157 | 89% | 0.894 | 81% | 0.809 | S | S | * | * | cis | -149 | 157.4 | 5.5 | -161.6 | 166.2 | 177.8 | 172.9 | -2.7 | 111.2 | ||||
| 2182 | S | 22 | Very low | 22 | Very low | 110 Ų | 110 | 150.7 Ų | 150.7 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | trans | -70.5 | 157.7 | -177.8 | 54.2 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 2183 | G | 23.7 | Very low | 21.9 | Very low | 74 Ų | 74 | 147.2 Ų | 147.2 | 76% | 0.763 | 80% | 0.796 | S | S | * | * | trans | 109.5 | 157.6 | 143.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 2184 | N | 22.8 | Very low | 21.7 | Very low | 151 Ų | 151 | 149.3 Ų | 149.3 | 81% | 0.807 | 80% | 0.798 | S | S | * | * | cis | -166.7 | -178.7 | -16.1 | -152 | 9.2 | 0 | 0 | 0 | 109.5 | ||||
| 2185 | T | 23.4 | Very low | 21.9 | Very low | 124 Ų | 124 | 147.9 Ų | 147.9 | 76% | 0.761 | 79% | 0.792 | S | S | * | * | trans | 69.5 | 154.2 | 170.5 | 72.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 2186 | S | 21.6 | Very low | 21.9 | Very low | 98 Ų | 98 | 141.5 Ų | 141.5 | 69% | 0.685 | 78% | 0.776 | S | S | * | * | cis | -166.3 | 163.4 | -33.6 | 51.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 2187 | N | 21.6 | Very low | 22.1 | Very low | 138 Ų | 138 | 136.8 Ų | 136.8 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | trans | -4 | 138 | 160.2 | -42.2 | -11.1 | 0 | 0 | 0 | 117.4 | ||||
| 2188 | D | 25 | Very low | 22.2 | Very low | 149 Ų | 149 | 135.8 Ų | 135.8 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | -171.1 | -178.8 | 78.6 | -99.2 | -41.6 | 0 | 0 | 0 | 113.7 | |||||
| 2189 | E | 25.3 | Very low | 22.3 | Very low | 173 Ų | 173 | 129.6 Ų | 129.6 | 81% | 0.808 | 75% | 0.745 | S | S | * | * | trans | 67.9 | 116.8 | 171.1 | -49.3 | -157.3 | 141 | 0 | 0 | 117.1 | ||||
| 2190 | K | 21.7 | Very low | 22.3 | Very low | 200 Ų | 200 | 129.9 Ų | 129.9 | 87% | 0.87 | 74% | 0.742 | S | S | * | * | 76.4 | 69.9 | 53.8 | -64.8 | 177.9 | -179.4 | 169 | 0 | 115.4 | |||||
| 2191 | S | 22 | Very low | 22.1 | Very low | 123 Ų | 123 | 131.8 Ų | 131.8 | 86% | 0.86 | 75% | 0.746 | S | S | * | * | trans | -143 | 130.1 | 142.9 | 47.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 2192 | C | 19.9 | Very low | 22.3 | Very low | 115 Ų | 115 | 125.1 Ų | 125.1 | 78% | 0.777 | 74% | 0.736 | S | S | * | * | trans | -89.9 | 174.8 | 176 | -62.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 2193 | I | 19 | Very low | 22.5 | Very low | 142 Ų | 142 | 125.4 Ų | 125.4 | 73% | 0.728 | 74% | 0.735 | S | S | * | * | cis | -169.8 | 159.6 | -17.2 | -98.5 | 164.4 | 0 | 0 | 0 | 104 | ||||
| 2194 | I | 19.5 | Very low | 22.5 | Very low | 149 Ų | 149 | 127.7 Ų | 127.7 | 76% | 0.764 | 74% | 0.736 | S | S | * | * | trans | 78.8 | 132.6 | 178 | -48.5 | -169.4 | 0 | 0 | 0 | 116.2 | ||||
| 2195 | N | 23 | Very low | 22.5 | Very low | 122 Ų | 122 | 124.9 Ų | 124.9 | 65% | 0.652 | 73% | 0.734 | S | S | * | * | cis | -155.5 | 156 | -20.1 | -112.2 | 27.2 | 0 | 0 | 0 | 111.9 | ||||
| 2196 | D | 23 | Very low | 22.4 | Very low | 110 Ų | 110 | 123.6 Ų | 123.6 | 59% | 0.588 | 74% | 0.736 | S | S | * | * | trans | 58.3 | 117.8 | 146.3 | -55.7 | -33 | 0 | 0 | 0 | 124.5 | R105 | R105-D2196 IonicContact CZ-OD1 3.61Å; R105-D2196 IonicContact NH1-OD1 2.66Å; R105-D2196 PolarHBondContact NH1-OD1 3Å; R105-D2196 IonicContact NH2-OD1 3.67Å | ||
| 2197 | G | 23.7 | Very low | 22.5 | Very low | 65 Ų | 65 | 125.3 Ų | 125.3 | 67% | 0.67 | 74% | 0.743 | S | S | * | * | trans | 119.5 | 108.5 | 163.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 2198 | T | 24.1 | Very low | 22.5 | Very low | 87 Ų | 87 | 123.6 Ų | 123.6 | 53% | 0.534 | 74% | 0.741 | S | S | . | * | cis | 63.9 | 149.4 | -1.2 | 67.6 | 0 | 0 | 0 | 0 | 119 | R105 | R105-T2198 PolarHBondContact NE-OG1 3.18Å; R105-T2198 PolarHBondContact NH2-OG1 3.11Å | ||
| 2199 | L | 22.2 | Very low | 22.3 | Very low | 107 Ų | 107 | 121.4 Ų | 121.4 | 56% | 0.56 | 74% | 0.738 | S | S | * | * | cis | -132.3 | 146.1 | 5.4 | -134.4 | -173.6 | 0 | 0 | 0 | 111.3 | R105 | R105-L2199 HydrophobicContact CG-CD1 4.34Š| ||
| 2200 | T | 22.2 | Very low | 22.1 | Very low | 116 Ų | 116 | 119.9 Ų | 119.9 | 71% | 0.712 | 74% | 0.74 | S | S | * | * | trans | -96.7 | 143.4 | -176 | 43.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 2201 | L | 19.8 | Very low | 22 | Very low | 178 Ų | 178 | 117 Ų | 117 | 93% | 0.932 | 74% | 0.74 | S | S | * | * | trans | -74.7 | 125.2 | 155.8 | -86.5 | 163.9 | 0 | 0 | 0 | 109.9 | ||||
| 2202 | S | 22.1 | Very low | 21.9 | Very low | 97 Ų | 97 | 117.5 Ų | 117.5 | 68% | 0.678 | 74% | 0.738 | S | S | * | * | trans | -159.4 | 99.4 | 161.2 | 55 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 2203 | P | 27.1 | Very low | 22 | Very low | 115 Ų | 115 | 123.8 Ų | 123.8 | 75% | 0.747 | 75% | 0.745 | S | S | * | * | trans | -70.9 | 157.3 | 168.6 | 31.4 | -34.2 | 0 | 0 | 0 | 111 | ||||
| 2204 | P | 23.3 | Very low | 22.1 | Very low | 122 Ų | 122 | 122.9 Ų | 122.9 | 79% | 0.792 | 75% | 0.746 | S | S | * | * | trans | -88.7 | 174.2 | -173.1 | 36.4 | -37.7 | 0 | 0 | 0 | 114.4 | ||||
| 2205 | A | 22.7 | Very low | 22.3 | Very low | 92 Ų | 92 | 120.9 Ų | 120.9 | 76% | 0.76 | 75% | 0.745 | S | S | * | * | trans | 64.9 | 70.8 | 151 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 2206 | A | 22.5 | Very low | 22.4 | Very low | 98 Ų | 98 | 121.3 Ų | 121.3 | 81% | 0.81 | 76% | 0.758 | S | S | * | * | 28.6 | 124 | 123.7 | 0 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 2207 | T | 23.8 | Very low | 22.5 | Very low | 134 Ų | 134 | 119.8 Ų | 119.8 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | trans | -148.1 | 128.9 | 132.2 | -8.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 2208 | S | 20.3 | Very low | 22.3 | Very low | 101 Ų | 101 | 128.4 Ų | 128.4 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | trans | 37.6 | 137.5 | 153.8 | 52.9 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 2209 | S | 22.2 | Very low | 22.2 | Very low | 103 Ų | 103 | 130.7 Ų | 130.7 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | trans | 63.3 | 89.7 | 145.4 | 56.4 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 2210 | T | 20 | Very low | 22.2 | Very low | 141 Ų | 141 | 131.5 Ų | 131.5 | 87% | 0.865 | 80% | 0.803 | S | S | * | * | trans | -56 | 126.4 | 135.6 | 27.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 2211 | T | 20.4 | Very low | 22.1 | Very low | 140 Ų | 140 | 137.2 Ų | 137.2 | 86% | 0.859 | 81% | 0.812 | S | S | * | * | trans | -156.6 | 145.5 | 136.9 | -14.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 2212 | V | 19.9 | Very low | 22.6 | Very low | 134 Ų | 134 | 134.3 Ų | 134.3 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | trans | -99.8 | 122.4 | -178.2 | 174.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 2213 | R | 20.6 | Very low | 23.2 | Very low | 246 Ų | 246 | 135.5 Ų | 135.5 | 93% | 0.928 | 81% | 0.809 | S | S | * | * | trans | -166.4 | 129.7 | 136.9 | -110.5 | 168.6 | -167.1 | -175 | 3.7 | 112.2 | ||||
| 2214 | T | 22.6 | Very low | 23.1 | Very low | 124 Ų | 124 | 135.8 Ų | 135.8 | 76% | 0.761 | 81% | 0.811 | S | S | * | * | trans | -96.7 | 143.9 | 173.8 | 46.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 2215 | S | 22.1 | Very low | 23.1 | Very low | 106 Ų | 106 | 142.2 Ų | 142.2 | 74% | 0.741 | 82% | 0.82 | S | S | * | * | trans | 41.2 | 102.6 | 145.3 | 62.5 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 2216 | S | 25.6 | Very low | 23 | Very low | 132 Ų | 132 | 141.5 Ų | 141.5 | 92% | 0.923 | 82% | 0.821 | S | S | * | * | 178.6 | 149.6 | 119.7 | 40.3 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 2217 | G | 26 | Very low | 22.9 | Very low | 78 Ų | 78 | 142 Ų | 142 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | 150.5 | 4.3 | 165.6 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 2218 | R | 19.1 | Very low | 22.8 | Very low | 246 Ų | 246 | 141.9 Ų | 141.9 | 93% | 0.928 | 81% | 0.808 | S | S | * | * | trans | -152.2 | 143.6 | 171.6 | -118.4 | 175 | -172.5 | -169.2 | 1.7 | 115.2 | ||||
| 2219 | V | 21.7 | Very low | 22.8 | Very low | 135 Ų | 135 | 143.7 Ų | 143.7 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | 85.7 | 95.5 | -161.3 | -172.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 2220 | V | 22.9 | Very low | 22.7 | Very low | 124 Ų | 124 | 147 Ų | 147 | 75% | 0.752 | 82% | 0.819 | S | S | * | * | cis | 83.9 | 109.7 | 47 | -176.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 2221 | R | 20.2 | Very low | 22.6 | Very low | 235 Ų | 235 | 146.5 Ų | 146.5 | 89% | 0.887 | 82% | 0.82 | S | S | * | * | trans | 73.1 | 98.4 | 170.3 | -71.5 | -172.6 | 175.2 | -165.1 | -1 | 120.4 | ||||
| 2222 | P | 30.3 | Very low | 22.7 | Very low | 117 Ų | 117 | 145.2 Ų | 145.2 | 76% | 0.76 | 82% | 0.817 | S | S | * | * | trans | -98.3 | 170.3 | 146.9 | 38.4 | -32 | 0 | 0 | 0 | 112.5 | ||||
| 2223 | P | 33.2 | Very low | 22.7 | Very low | 122 Ų | 122 | 143.3 Ų | 143.3 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | trans | -84.4 | 163.8 | 172 | 34.7 | -35.2 | 0 | 0 | 0 | 113.6 | ||||
| 2224 | P | 26.2 | Very low | 22.7 | Very low | 122 Ų | 122 | 141 Ų | 141 | 79% | 0.792 | 81% | 0.806 | S | S | * | * | trans | -112.5 | 147.4 | -162.9 | 39.3 | -31.3 | 0 | 0 | 0 | 117 | ||||
| 2225 | R | 23.7 | Very low | 22.7 | Very low | 257 Ų | 257 | 139.3 Ų | 139.3 | 97% | 0.97 | 80% | 0.799 | S | S | * | * | trans | -137.3 | 145.6 | 141.3 | -78 | -172.9 | 174.8 | 177.2 | -0.9 | 107 | ||||
| 2226 | G | 20 | Very low | 22.6 | Very low | 77 Ų | 77 | 142.3 Ų | 142.3 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | trans | -149.2 | 162.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 2227 | S | 20.1 | Very low | 22.4 | Very low | 107 Ų | 107 | 142.4 Ų | 142.4 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | -172.7 | 140.8 | 167.5 | 59.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 2228 | Q | 21.1 | Very low | 22.1 | Very low | 132 Ų | 132 | 148.7 Ų | 148.7 | 62% | 0.617 | 79% | 0.793 | S | S | * | * | trans | 70.1 | 102.7 | 165.5 | -56.1 | -177 | -17 | 0 | 0 | 114.7 | ||||
| 2229 | D | 20.5 | Very low | 22.2 | Very low | 139 Ų | 139 | 141.6 Ų | 141.6 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | 86.5 | 133.3 | 88.9 | -59.5 | -30.7 | 0 | 0 | 0 | 110.2 | |||||
| 2230 | L | 21.3 | Very low | 22.3 | Very low | 174 Ų | 174 | 144.5 Ų | 144.5 | 91% | 0.911 | 79% | 0.785 | S | S | * | * | cis | -144.8 | 168.5 | 47.4 | -77.3 | 159.2 | 0 | 0 | 0 | 113.8 | ||||
| 2231 | C | 17.6 | Very low | 22.2 | Very low | 130 Ų | 130 | 147.4 Ų | 147.4 | 88% | 0.878 | 79% | 0.788 | S | S | * | * | trans | -84.6 | 138.2 | -177.5 | -57.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 2232 | S | 21.2 | Very low | 22.3 | Very low | 113 Ų | 113 | 146.6 Ų | 146.6 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | trans | -170.9 | 148.1 | 144.6 | 68.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 2233 | S | 21.1 | Very low | 21.8 | Very low | 94 Ų | 94 | 147.2 Ų | 147.2 | 66% | 0.657 | 78% | 0.783 | S | S | * | * | cis | -150.3 | 152.8 | 0.4 | -34.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 2234 | F | 20.7 | Very low | 21.3 | Very low | 198 Ų | 198 | 147.9 Ų | 147.9 | 87% | 0.868 | 79% | 0.789 | S | S | * | * | trans | 55.2 | 107.6 | 165.8 | -68.5 | -81.9 | 0 | 0 | 0 | 117.6 | ||||
| 2235 | S | 21.3 | Very low | 21 | Very low | 87 Ų | 87 | 147.6 Ų | 147.6 | 61% | 0.608 | 79% | 0.79 | S | S | * | * | 92 | 106.6 | 88.5 | -169.9 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 2236 | E | 20.6 | Very low | 20.9 | Very low | 169 Ų | 169 | 139.4 Ų | 139.4 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | 62.9 | 120.8 | 69.5 | -59.5 | 175.2 | 149.4 | 0 | 0 | 109.9 | |||||
| 2237 | D | 22 | Very low | 20.9 | Very low | 134 Ų | 134 | 140.5 Ų | 140.5 | 72% | 0.717 | 76% | 0.757 | S | S | * | * | cis | -143.4 | 155.2 | 35.7 | -88.1 | -48.6 | 0 | 0 | 0 | 118.7 | ||||
| 2238 | Y | 20.1 | Very low | 21.1 | Very low | 211 Ų | 211 | 144.3 Ų | 144.3 | 83% | 0.827 | 76% | 0.763 | S | S | * | * | trans | 34.3 | 131.1 | 150.3 | -75 | -88.8 | 0 | 0 | 0 | 126.1 | ||||
| 2239 | S | 21.5 | Very low | 21.3 | Very low | 96 Ų | 96 | 147.7 Ų | 147.7 | 67% | 0.671 | 78% | 0.775 | S | S | * | * | trans | -74.3 | 154.8 | 172.3 | 50.8 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 2240 | Q | 23.3 | Very low | 21.5 | Very low | 196 Ų | 196 | 150.7 Ų | 150.7 | 92% | 0.916 | 79% | 0.785 | S | S | * | * | trans | -140.9 | 113.1 | 147.7 | -63.7 | -173.9 | -5.2 | 0 | 0 | 107.4 | ||||
| 2241 | K | 21.2 | Very low | 21.6 | Very low | 185 Ų | 185 | 147 Ų | 147 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | 71.4 | 78.7 | 73 | -82.1 | -167.3 | 172.3 | 179.8 | 0 | 116.5 | |||||
| 2242 | Y | 21.5 | Very low | 22 | Very low | 219 Ų | 219 | 149.3 Ų | 149.3 | 86% | 0.859 | 77% | 0.771 | S | S | * | * | -133 | 115.4 | 123.4 | -95.3 | -97.9 | 0 | 0 | 0 | 105.8 | |||||
| 2243 | N | 20.2 | Very low | 22.2 | Very low | 129 Ų | 129 | 153.4 Ų | 153.4 | 69% | 0.69 | 78% | 0.778 | S | S | * | * | 71.1 | 82.7 | 85 | -73.4 | -0.1 | 0 | 0 | 0 | 114.5 | |||||
| 2244 | C | 21.7 | Very low | 22.2 | Very low | 137 Ų | 137 | 159.8 Ų | 159.8 | 93% | 0.926 | 79% | 0.787 | S | S | * | * | trans | -153.3 | 103.1 | 146.4 | -105.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 2245 | S | 19.8 | Very low | 22.4 | Very low | 116 Ų | 116 | 160.2 Ų | 160.2 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | trans | -143.3 | 86.7 | 178.5 | 59.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 2246 | S | 21.8 | Very low | 22.7 | Very low | 84 Ų | 84 | 166 Ų | 166 | 59% | 0.587 | 80% | 0.797 | S | S | * | * | trans | -176.4 | 121.3 | 174.8 | 51.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 2247 | E | 21.1 | Very low | 22.7 | Very low | 100 Ų | 100 | 166.1 Ų | 166.1 | 47% | 0.467 | 79% | 0.791 | S | S | . | * | cis | -125.5 | 158 | -11.3 | -128.1 | 174.8 | -163.5 | 0 | 0 | 108.8 | I1024 A1025 | I1024-E2247 WeakPolarHBondContact CA-OE1 3.44Å; I1024-E2247 HydrophobicContact CB-CG 4.4Å; I1024-E2247 HydrophobicContact CD1-CB 4.28Å; I1024-E2247 HydrophobicContact CG1-CB 3.53Å; I1024-E2247 HydrophobicContact CG1-CG 3.64Å; I1024-E2247 HydrophobicContact CG2-CG 4.32Å; A1025-E2247 WeakPolarHBondContact CB-OE1 3.17Å; A1025-E2247 PolarHBondContact N-OE1 3.04Å | ||
| 2248 | Q | 24.4 | Very low | 22.6 | Very low | 187 Ų | 187 | 166.1 Ų | 166.1 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | trans | -134.3 | 137.8 | 150.2 | -79 | -161.1 | -12.8 | 0 | 0 | 111.5 | Q2250 | Q2248-Q2250 PolarHBondContact O-N 3.01Š| ||
| 2249 | K | 25.6 | Very low | 22.6 | Very low | 204 Ų | 204 | 162.9 Ų | 162.9 | 89% | 0.887 | 79% | 0.786 | S | S | * | * | trans | -64.1 | 125.2 | 175.9 | -61.8 | 165.9 | -179 | 173.2 | 0 | 109.2 | ||||
| 2250 | Q | 24.2 | Very low | 22.5 | Very low | 201 Ų | 201 | 161.6 Ų | 161.6 | 94% | 0.939 | 78% | 0.777 | S | S | * | * | trans | -91.3 | 137.4 | 162.9 | -72.7 | -170 | -8.5 | 0 | 0 | 110.6 | Q2248 | Q2248-Q2250 PolarHBondContact O-N 3.01Š| ||
| 2251 | S | 23.9 | Very low | 22.4 | Very low | 97 Ų | 97 | 157.3 Ų | 157.3 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | trans | -130.8 | 138.4 | -178.4 | 53.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 2252 | H | 26.1 | Very low | 22.4 | Very low | 178 Ų | 178 | 153.9 Ų | 153.9 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | cis | -141.7 | 146.9 | -3.9 | -82.7 | -79 | 0 | 0 | 0 | 107.9 | ||||
| 2253 | Q | 23.6 | Very low | 22.5 | Very low | 199 Ų | 199 | 148.7 Ų | 148.7 | 93% | 0.93 | 76% | 0.762 | S | S | * | * | trans | -164.8 | 96.5 | 138.6 | -110.9 | 164.2 | 36.6 | 0 | 0 | 114.3 | ||||
| 2254 | R | 22.4 | Very low | 22.7 | Very low | 228 Ų | 228 | 145.3 Ų | 145.3 | 86% | 0.86 | 76% | 0.758 | S | S | * | * | trans | -66.2 | 147 | 138.7 | -123.3 | 178.9 | 174.5 | 179.2 | -2.1 | 105.9 | ||||
| 2255 | R | 24.4 | Very low | 22.7 | Very low | 207 Ų | 207 | 145.4 Ų | 145.4 | 78% | 0.781 | 75% | 0.749 | S | S | * | * | cis | -142.4 | 136.9 | 10.8 | -57.8 | 161.4 | 163.6 | 143.6 | -10.2 | 108.8 | ||||
| 2256 | K | 26.9 | Very low | 22.8 | Very low | 208 Ų | 208 | 146 Ų | 146 | 90% | 0.904 | 74% | 0.743 | S | S | * | * | trans | -175.1 | 123.7 | 149.5 | -105.9 | 152.6 | -172.9 | 177.1 | 0 | 111.9 | ||||
| 2257 | R | 20.4 | Very low | 22.8 | Very low | 173 Ų | 173 | 147.2 Ų | 147.2 | 65% | 0.653 | 75% | 0.747 | S | S | * | * | trans | 45 | 104.2 | 160.4 | -60.5 | -163.2 | 168.6 | 171.8 | -3.5 | 117.5 | A1735 | A1735-R2257 PolarHBondContact O-NH2 3.33Š| ||
| 2258 | L | 20.4 | Very low | 22.9 | Very low | 133 Ų | 133 | 149.3 Ų | 149.3 | 70% | 0.696 | 76% | 0.757 | S | S | * | * | 83.7 | 121.6 | 78.7 | -78.6 | 170.6 | 0 | 0 | 0 | 113 | |||||
| 2259 | I | 20.8 | Very low | 22.7 | Very low | 144 Ų | 144 | 144.1 Ų | 144.1 | 74% | 0.738 | 74% | 0.741 | S | S | * | * | trans | 44.4 | 114.5 | 139.2 | -54.8 | 175 | 0 | 0 | 0 | 115.7 | ||||
| 2260 | S | 19.8 | Very low | 22.5 | Very low | 69 Ų | 69 | 140.4 Ų | 140.4 | 48% | 0.483 | 74% | 0.735 | S | S | . | * | -166.1 | 135.5 | 83.3 | 19.2 | 0 | 0 | 0 | 0 | 116.4 | F1029 | F1029-S2260 WeakPolarHBondContact CE2-O 3.37Š| |||
| 2261 | C | 19.7 | Very low | 22.5 | Very low | 106 Ų | 106 | 137.3 Ų | 137.3 | 72% | 0.716 | 73% | 0.725 | S | S | * | * | 59.8 | 134.8 | 129.1 | -53 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 2262 | S | 21.4 | Very low | 22.4 | Very low | 113 Ų | 113 | 140.8 Ų | 140.8 | 79% | 0.79 | 73% | 0.728 | S | S | * | * | trans | 67.3 | 150.5 | 153.9 | 68 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 2263 | S | 23.5 | Very low | 22.3 | Very low | 109 Ų | 109 | 138.7 Ų | 138.7 | 76% | 0.762 | 72% | 0.722 | S | S | * | * | cis | -92.9 | 160.7 | -5.7 | -137.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 2264 | G | 25 | Very low | 22.1 | Very low | 59 Ų | 59 | 139.3 Ų | 139.3 | 61% | 0.608 | 72% | 0.718 | S | S | * | * | 74.7 | 126.4 | 54.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 2265 | N | 22.6 | Very low | 22.2 | Very low | 138 Ų | 138 | 133.5 Ų | 133.5 | 74% | 0.738 | 71% | 0.712 | S | S | * | * | cis | -153.8 | 135.6 | 26.5 | -105.2 | -11.3 | 0 | 0 | 0 | 110.1 | ||||
| 2266 | N | 21.7 | Very low | 22.1 | Very low | 128 Ų | 128 | 134.6 Ų | 134.6 | 68% | 0.684 | 72% | 0.716 | S | S | * | * | 67.2 | 134.5 | 101.8 | -82.5 | -17.3 | 0 | 0 | 0 | 116.7 | |||||
| 2267 | T | 21.6 | Very low | 21.9 | Very low | 111 Ų | 111 | 132 Ų | 132 | 68% | 0.681 | 71% | 0.707 | S | S | * | * | trans | 66.7 | 145.9 | 150.8 | 58 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 2268 | H | 22.5 | Very low | 22 | Very low | 143 Ų | 143 | 129.5 Ų | 129.5 | 66% | 0.662 | 71% | 0.711 | S | S | * | * | cis | -154.7 | 170.3 | -10.2 | -120 | -35.9 | 0 | 0 | 0 | 112.4 | ||||
| 2269 | S | 21.3 | Very low | 22.1 | Very low | 78 Ų | 78 | 131 Ų | 131 | 55% | 0.545 | 72% | 0.719 | S | S | . | * | trans | 6.8 | 122.8 | 160.4 | 55.2 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 2270 | V | 21.4 | Very low | 22 | Very low | 127 Ų | 127 | 135.5 Ų | 135.5 | 77% | 0.77 | 73% | 0.727 | S | S | * | * | trans | -31.1 | 128.9 | 140 | 175.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 2271 | N | 22.3 | Very low | 22.1 | Very low | 135 Ų | 135 | 143.3 Ų | 143.3 | 72% | 0.722 | 75% | 0.746 | S | S | * | * | trans | -163.1 | 101.3 | 141.4 | -109.5 | -33.4 | 0 | 0 | 0 | 116.5 | ||||
| 2272 | K | 23.1 | Very low | 22.1 | Very low | 171 Ų | 171 | 149.5 Ų | 149.5 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | 26.6 | 132.4 | 123.1 | -94.7 | -176.4 | 175.7 | 178.7 | 0 | 121.9 | |||||
| 2273 | L | 23 | Very low | 22.1 | Very low | 133 Ų | 133 | 154.3 Ų | 154.3 | 70% | 0.696 | 76% | 0.755 | S | S | * | * | trans | 90.6 | 115.4 | 135.5 | -62.5 | 166.1 | 0 | 0 | 0 | 122.5 | ||||
| 2274 | Y | 20.7 | Very low | 22.1 | Very low | 213 Ų | 213 | 161 Ų | 161 | 84% | 0.835 | 76% | 0.764 | S | S | * | * | 84 | 125.9 | 125.6 | -88.6 | -130.8 | 0 | 0 | 0 | 124 | |||||
| 2275 | S | 23 | Very low | 22.1 | Very low | 106 Ų | 106 | 164.8 Ų | 164.8 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | trans | 64.8 | 113.5 | 132.2 | -161.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 2276 | R | 23.1 | Very low | 22.1 | Very low | 230 Ų | 230 | 163.2 Ų | 163.2 | 87% | 0.868 | 76% | 0.761 | S | S | * | * | trans | -141.1 | 127.5 | 148.9 | -85.7 | -167.3 | 170.6 | 166.9 | -0.9 | 113.2 | ||||
| 2277 | H | 23.6 | Very low | 22.1 | Very low | 152 Ų | 152 | 164.5 Ų | 164.5 | 70% | 0.704 | 77% | 0.768 | S | S | * | * | trans | 33.3 | 104.9 | 141.7 | -61.6 | -50.8 | 0 | 0 | 0 | 119.5 | ||||
| 2278 | T | 21.7 | Very low | 22.1 | Very low | 121 Ų | 121 | 168 Ų | 168 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | 56.7 | 103.3 | 82.3 | 67.6 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 2279 | N | 22.7 | Very low | 22.1 | Very low | 164 Ų | 164 | 166.7 Ų | 166.7 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | trans | -124.4 | 106.6 | 162.3 | -115.2 | -43.5 | 0 | 0 | 0 | 109.9 | ||||
| 2280 | R | 17.6 | Very low | 22.1 | Very low | 239 Ų | 239 | 172.6 Ų | 172.6 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | trans | -90.7 | 127.9 | 174 | -84.1 | 177.4 | 162.8 | 175.4 | -4.8 | 109.9 | ||||
| 2281 | R | 22.9 | Very low | 22.1 | Very low | 233 Ų | 233 | 171.6 Ų | 171.6 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | trans | -152.9 | 117.7 | 160.4 | -110.2 | 165.6 | -168.2 | -167.8 | 2.5 | 114.3 | ||||
| 2282 | R | 20 | Very low | 22 | Very low | 236 Ų | 236 | 172.7 Ų | 172.7 | 89% | 0.891 | 80% | 0.802 | S | S | * | * | trans | 21.5 | 112 | 150.4 | -59.6 | 172.9 | 177.1 | 166.9 | -3.3 | 117.3 | ||||
| 2283 | R | 20.5 | Very low | 21.9 | Very low | 215 Ų | 215 | 175.6 Ų | 175.6 | 81% | 0.811 | 81% | 0.808 | S | S | * | * | 49 | 115.7 | 74.2 | -75.8 | -168.1 | 175.6 | 169.9 | -0.6 | 115.9 | |||||
| 2284 | R | 23.1 | Very low | 21.8 | Very low | 249 Ų | 249 | 177 Ų | 177 | 94% | 0.94 | 81% | 0.813 | S | S | * | * | trans | -125.9 | 169.3 | 141.9 | -87 | -175.4 | 169.1 | 169.2 | -3.2 | 108.2 | ||||
| 2285 | H | 24.8 | Very low | 21.8 | Very low | 139 Ų | 139 | 170.8 Ų | 170.8 | 64% | 0.644 | 80% | 0.801 | S | S | * | * | trans | -126.4 | 135.6 | -150.2 | -94.7 | -104.1 | 0 | 0 | 0 | 115.9 | ||||
| 2286 | T | 24.5 | Very low | 21.7 | Very low | 105 Ų | 105 | 172.4 Ų | 172.4 | 64% | 0.644 | 80% | 0.801 | S | S | * | * | trans | 37.3 | 126.7 | 138.4 | 59.6 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 2287 | N | 20.9 | Very low | 21.6 | Very low | 155 Ų | 155 | 166.5 Ų | 166.5 | 83% | 0.829 | 80% | 0.796 | S | S | * | * | -173.4 | 137.3 | 117.3 | -82.2 | -18.6 | 0 | 0 | 0 | 107.3 | |||||
| 2288 | Q | 21.2 | Very low | 21.6 | Very low | 184 Ų | 184 | 164.2 Ų | 164.2 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | cis | 81.3 | 91.7 | 27.6 | -73.3 | -149.4 | 12.5 | 0 | 0 | 118.3 | ||||
| 2289 | S | 21.8 | Very low | 21.6 | Very low | 115 Ų | 115 | 167 Ų | 167 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | 172.1 | 127.5 | 141.2 | 49.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 2290 | K | 22.7 | Very low | 21.6 | Very low | 202 Ų | 202 | 166.3 Ų | 166.3 | 88% | 0.878 | 80% | 0.798 | S | S | * | * | cis | 94.4 | 150.9 | 50 | -87.8 | -166.5 | 173.6 | -176.2 | 0 | 114.1 | ||||
| 2291 | S | 20.5 | Very low | 21.8 | Very low | 107 Ų | 107 | 162.2 Ų | 162.2 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | trans | 71.4 | 132.2 | -167.7 | 74.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 2292 | I | 21.2 | Very low | 21.7 | Very low | 158 Ų | 158 | 156 Ų | 156 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | cis | 79.4 | 100.2 | 14.2 | -45.9 | 169.1 | 0 | 0 | 0 | 115.9 | ||||
| 2293 | R | 20.1 | Very low | 21.7 | Very low | 231 Ų | 231 | 151.6 Ų | 151.6 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | trans | -162.5 | 136 | 132.7 | -99.8 | 170.2 | -178.1 | 166.8 | 1.9 | 106.7 | ||||
| 2294 | M | 20.4 | Very low | 21.8 | Very low | 162 Ų | 162 | 147.3 Ų | 147.3 | 80% | 0.798 | 78% | 0.777 | S | S | * | * | 58.2 | 132.9 | 74.4 | -54.2 | -84.2 | -75.7 | 0 | 0 | 112.4 | |||||
| 2295 | S | 21.9 | Very low | 21.8 | Very low | 83 Ų | 83 | 140.7 Ų | 140.7 | 58% | 0.58 | 77% | 0.769 | S | S | * | * | cis | -172.7 | -175.6 | -8.9 | 53.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 2296 | N | 20.6 | Very low | 21.6 | Very low | 140 Ų | 140 | 143.2 Ų | 143.2 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | trans | 77.1 | 136.8 | 167.3 | -49.8 | 7.5 | 0 | 0 | 0 | 115.1 | ||||
| 2297 | S | 21.2 | Very low | 21.6 | Very low | 107 Ų | 107 | 145 Ų | 145 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | cis | 99.9 | 87.2 | 16.9 | 82.9 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 2298 | S | 22.8 | Very low | 21.7 | Very low | 103 Ų | 103 | 145.4 Ų | 145.4 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | trans | -166.7 | 133.2 | 150.2 | 60.7 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 2299 | E | 22.4 | Very low | 21.8 | Very low | 180 Ų | 180 | 144.7 Ų | 144.7 | 84% | 0.841 | 76% | 0.762 | S | S | * | * | 54.7 | 122.7 | 64.1 | -58 | 177.2 | 162.6 | 0 | 0 | 109.7 | |||||
| 2300 | D | 22.1 | Very low | 21.9 | Very low | 150 Ų | 150 | 142.4 Ų | 142.4 | 80% | 0.802 | 75% | 0.747 | S | S | * | * | cis | -156.3 | 177.4 | 34.6 | -150 | -18.5 | 0 | 0 | 0 | 113.3 | ||||
| 2301 | L | 21.7 | Very low | 22 | Very low | 152 Ų | 152 | 134.9 Ų | 134.9 | 80% | 0.796 | 72% | 0.722 | S | S | * | * | trans | -83.7 | 150.7 | 176.4 | -58.7 | 103.2 | 0 | 0 | 0 | 113 | ||||
| 2302 | S | 21.7 | Very low | 22.3 | Very low | 104 Ų | 104 | 139.4 Ų | 139.4 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | 159.7 | 133.2 | 116.4 | 56.4 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 2303 | N | 20.5 | Very low | 22.4 | Very low | 142 Ų | 142 | 140.1 Ų | 140.1 | 76% | 0.759 | 72% | 0.72 | S | S | * | * | trans | 48.8 | 96.5 | 134 | -56.9 | -17.5 | 0 | 0 | 0 | 122.3 | ||||
| 2304 | T | 22.7 | Very low | 22.6 | Very low | 125 Ų | 125 | 139.5 Ų | 139.5 | 77% | 0.767 | 72% | 0.718 | S | S | * | * | 26.1 | 122.3 | 115.9 | 62.2 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 2305 | S | 21.5 | Very low | 22.6 | Very low | 110 Ų | 110 | 141.1 Ų | 141.1 | 77% | 0.769 | 72% | 0.721 | S | S | * | * | 179.5 | 107.7 | 125.4 | 42.5 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 2306 | F | 21.7 | Very low | 22.7 | Very low | 192 Ų | 192 | 145.4 Ų | 145.4 | 84% | 0.842 | 74% | 0.735 | S | S | * | * | 42.4 | 135.2 | 127.3 | -79.7 | -75.7 | 0 | 0 | 0 | 125.2 | |||||
| 2307 | L | 24.1 | Very low | 23 | Very low | 142 Ų | 142 | 144.9 Ų | 144.9 | 74% | 0.743 | 74% | 0.737 | S | S | * | * | trans | 96 | 136.4 | 136.8 | -74 | 164.8 | 0 | 0 | 0 | 125.5 | ||||
| 2308 | R | 22.1 | Very low | 23.7 | Very low | 164 Ų | 164 | 145.6 Ų | 145.6 | 62% | 0.619 | 74% | 0.739 | S | S | * | * | trans | 88 | 149 | 150.1 | -74 | 173.2 | 173.1 | -165.9 | 1.5 | 121.3 | T556 | T556-R2308 WeakPolarHBondContact CA-O 3.43Å; T556-R2308 PolarHBondContact N-O 3.14Å | ||
| 2309 | R | 24 | Very low | 23.6 | Very low | 169 Ų | 169 | 145.7 Ų | 145.7 | 64% | 0.638 | 74% | 0.739 | S | S | * | * | cis | -167.2 | -73.5 | 18.3 | -132 | 179.7 | 179.6 | -174.4 | -3.1 | 124.8 | N553 T554 | N553-R2309 CarbonylContact C-O 3.6Å; T554-R2309 CarbonylContact O-C 2.74Å; T554-R2309 VanDerWaalsContact O-CA 3.28Å; T554-R2309 WeakPolarHBondContact O-CA 3.5Å; T554-R2309 PolarHBondContact O-N 3.46Å; T554-R2309 VanDerWaalsContact O-N 3.1Å | ||
| 2310 | S | 23.3 | Very low | 23.6 | Very low | 67 Ų | 67 | 147.3 Ų | 147.3 | 47% | 0.469 | 74% | 0.744 | S | S | . | * | trans | -161.4 | 99 | -150.6 | 60.7 | 0 | 0 | 0 | 0 | 128.5 | N553 T554 | N553-S2310 VanDerWaalsContact CB-CA 3.49Å; N553-S2310 WeakPolarHBondContact ND2-CB 3.38Å; T554-S2310 VanDerWaalsContact N-CA 3.34Å; T554-S2310 PolarHBondContact O-N 2.99Å; T554-S2310 WeakPolarHBondContact OG1-CA 3.24Å; T554-S2310 PolarHBondContact OG1-N 3.43Å | ||
| 2311 | A | 26.3 | Very low | 23.5 | Very low | 45 Ų | 45 | 144.4 Ų | 144.4 | 37% | 0.372 | 74% | 0.736 | S | S | . | * | trans | -156.4 | 138 | 144.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | N553 T554 | N553-A2311 CarbonylContact C-O 3.47Å; N553-A2311 WeakPolarHBondContact CA-O 3.39Å; N553-A2311 WeakPolarHBondContact OD1-CA 3.32Å; N553-A2311 PolarHBondContact OD1-N 3.11Å; N553-A2311 VanDerWaalsContact OD1-N 3.12Å; T554-A2311 HydrophobicContact CG2-CB 3.85Å; T554-A2311 VanDerWaalsContact CG2-O 3.3Å; T554-A2311 WeakPolarHBondContact CG2-O 3.46Å; T554-A2311 PolarHBondContact N-O 3.24Å; T554-A2311 PolarHBondContact OG1-N 2.77Å | ||
| 2312 | R | 25.2 | Very low | 23.4 | Very low | 202 Ų | 202 | 145.7 Ų | 145.7 | 76% | 0.762 | 74% | 0.738 | S | S | * | * | 75.7 | 119.8 | 53.5 | -80.3 | 159.6 | 168.2 | -169 | -4.9 | 117.7 | N553 | N553-R2312 WeakPolarHBondContact OD1-CG 3.5Å; N553-R2312 PolarHBondContact OD1-N 3.25Å; N553-R2312 VanDerWaalsContact OD1-N 3.11Å | |||
| 2313 | K | 25 | Very low | 23.5 | Very low | 172 Ų | 172 | 151 Ų | 151 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | 169.1 | 133.6 | 127.7 | -89.6 | 154.4 | -164.7 | 174.3 | 0 | 121.1 | |||||
| 2314 | R | 22.8 | Very low | 23.4 | Very low | 218 Ų | 218 | 155.6 Ų | 155.6 | 82% | 0.823 | 76% | 0.756 | S | S | * | * | trans | 60.8 | 131.1 | 138 | -60 | 167.8 | -179.7 | 176.5 | -4.5 | 120.2 | ||||
| 2315 | K | 21.9 | Very low | 23.4 | Very low | 197 Ų | 197 | 152.5 Ų | 152.5 | 86% | 0.857 | 75% | 0.749 | S | S | * | * | cis | 85.9 | 115.8 | 41.2 | -84.5 | -152 | 171.1 | -162.8 | 0 | 116.7 | ||||
| 2316 | I | 24.1 | Very low | 23.4 | Very low | 173 Ų | 173 | 153.3 Ų | 153.3 | 89% | 0.887 | 76% | 0.755 | S | S | * | * | trans | -156.2 | 153.1 | 149.6 | -97.7 | 156.8 | 0 | 0 | 0 | 108.5 | ||||
| 2317 | V | 25.6 | Very low | 23.6 | Very low | 129 Ų | 129 | 153.7 Ų | 153.7 | 78% | 0.782 | 76% | 0.759 | S | S | * | * | trans | -156.7 | 147.2 | -167.5 | 158.5 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 2318 | P | 36.6 | Very low | 23.6 | Very low | 121 Ų | 121 | 150 Ų | 150 | 79% | 0.786 | 76% | 0.755 | S | S | * | * | cis | -136.3 | -161.7 | 31.4 | 38.6 | -16.3 | 0 | 0 | 0 | 116.9 | ||||
| 2319 | S | 20.2 | Very low | 23.7 | Very low | 105 Ų | 105 | 148.9 Ų | 148.9 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | trans | -71.5 | 163.5 | 178.7 | 54.7 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 2320 | F | 23.2 | Very low | 23.7 | Very low | 214 Ų | 214 | 147.1 Ų | 147.1 | 94% | 0.939 | 77% | 0.765 | S | S | * | * | trans | -130 | 147 | 152.3 | -131.5 | -92.3 | 0 | 0 | 0 | 110.2 | ||||
| 2321 | S | 19.7 | Very low | 23.9 | Very low | 90 Ų | 90 | 153.4 Ų | 153.4 | 63% | 0.629 | 79% | 0.787 | S | S | * | * | trans | -126.1 | 145.3 | -169 | 57.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 2322 | Q | 19 | Very low | 23.6 | Very low | 179 Ų | 179 | 161 Ų | 161 | 84% | 0.836 | 81% | 0.812 | S | S | * | * | trans | 50.7 | 111.3 | 157.5 | -65.3 | 177.3 | -28.4 | 0 | 0 | 118 | ||||
| 2323 | F | 23.4 | Very low | 23.8 | Very low | 215 Ų | 215 | 162.8 Ų | 162.8 | 94% | 0.943 | 84% | 0.837 | S | S | * | * | trans | -145.8 | 146.1 | 139.9 | -116.6 | -79.7 | 0 | 0 | 0 | 111.6 | ||||
| 2324 | Y | 18.3 | Very low | 23.7 | Very low | 238 Ų | 238 | 162.3 Ų | 162.3 | 93% | 0.933 | 84% | 0.841 | S | S | * | * | trans | -87.2 | 149.8 | 173.6 | -97.8 | -105 | 0 | 0 | 0 | 110.8 | ||||
| 2325 | G | 23.6 | Very low | 23.7 | Very low | 60 Ų | 60 | 159.4 Ų | 159.4 | 62% | 0.619 | 84% | 0.842 | S | S | * | * | trans | 153.8 | 95.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 2326 | S | 20.8 | Very low | 23.8 | Very low | 128 Ų | 128 | 157.3 Ų | 157.3 | 90% | 0.895 | 84% | 0.841 | S | S | * | * | 68.7 | 44.2 | 63.1 | 89.3 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 2327 | E | 26.6 | Very low | 23.8 | Very low | 200 Ų | 200 | 156.4 Ų | 156.4 | 94% | 0.935 | 84% | 0.838 | S | S | * | * | trans | -82.4 | 139.2 | 153.4 | -68.9 | -172.6 | 152.2 | 0 | 0 | 109.6 | ||||
| 2328 | G | 23.8 | Very low | 23.7 | Very low | 64 Ų | 64 | 158.1 Ų | 158.1 | 66% | 0.66 | 84% | 0.842 | S | S | * | * | trans | -147.7 | 168.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 2329 | N | 23.6 | Very low | 22.9 | Very low | 140 Ų | 140 | 160.5 Ų | 160.5 | 75% | 0.749 | 85% | 0.846 | S | S | * | * | trans | 72.2 | 122.4 | -179.7 | -69.2 | 65.8 | 0 | 0 | 0 | 116.3 | ||||
| 2330 | D | 24.8 | Very low | 23 | Very low | 133 Ų | 133 | 164.5 Ų | 164.5 | 71% | 0.711 | 85% | 0.854 | S | S | * | * | 48.9 | 117.1 | 126 | -36.9 | -31.2 | 0 | 0 | 0 | 117.3 | |||||
| 2331 | E | 27.2 | Very low | 23 | Very low | 198 Ų | 198 | 160.7 Ų | 160.7 | 93% | 0.925 | 85% | 0.847 | S | S | * | * | -148 | -173.9 | 53.8 | -82.3 | -172 | 126.2 | 0 | 0 | 114.6 | |||||
| 2332 | F | 21 | Very low | 23.3 | Very low | 204 Ų | 204 | 166.6 Ų | 166.6 | 90% | 0.895 | 87% | 0.865 | S | S | * | * | trans | -87.5 | 148.8 | -178.4 | -94 | -111 | 0 | 0 | 0 | 113.6 | ||||
| 2333 | D | 27.6 | Very low | 23.7 | Very low | 240 Ų | 240 | 165.5 Ų | 165.5 | 100% | 1.283 | 87% | 0.868 | S | S | * | * | trans | -147.9 | 0 | 139.9 | -115.5 | -17.8 | 0 | 0 | 0 | 108.9 |
Retrieved 2,333 of 2,333 residues in 3329.7 ms
(Link to these results)