| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 41 | Very low | 45.2 | Very low | 210 Ų | 210 | 117.8 Ų | 117.8 | 100% | 1.034 | 61% | 0.614 | S | S | * | * | 0 | -45.1 | 0 | -79.8 | -179.8 | 167.9 | 0 | 0 | 112.5 | S3 F4 G5 | M1-S3 VanDerWaalsContact C-N 3.32Å; M1-S3 PolarHBondContact O-N 3.15Å; M1-F4 WeakPolarHBondContact O-CB 3.28Å; M1-F4 PolarHBondContact O-N 3.41Å; M1-G5 PolarHBondContact O-N 2.78Å; M1-G5 VanDerWaalsContact O-N 3.16Å | |||
| 2 | T | 47.5 | Very low | 45.6 | Very low | 128 Ų | 128 | 114.7 Ų | 114.7 | 79% | 0.785 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -46.6 | -42.9 | 179.7 | 42.3 | 0 | 0 | 0 | 0 | 115.8 | F4 G5 K6 | T2-F4 PolarHBondContact O-N 2.88Å; T2-G5 PolarHBondContact O-N 3.18Å; T2-K6 PolarHBondContact O-N 2.86Å |
| 3 | S | 41.2 | Very low | 45.9 | Very low | 92 Ų | 92 | 107.1 Ų | 107.1 | 64% | 0.643 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65.8 | -35.3 | 176.5 | 52.6 | 0 | 0 | 0 | 0 | 114.2 | M1 Y7 | M1-S3 VanDerWaalsContact C-N 3.32Å; M1-S3 PolarHBondContact O-N 3.15Å; S3-Y7 PolarHBondContact O-N 3.46Å |
| 4 | F | 41.8 | Very low | 45.9 | Very low | 156 Ų | 156 | 104.3 Ų | 104.3 | 68% | 0.684 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -72.4 | -36.5 | 178.9 | -155.1 | -95.7 | 0 | 0 | 0 | 111 | M1 T2 Y7 V8 | M1-F4 WeakPolarHBondContact O-CB 3.28Å; M1-F4 PolarHBondContact O-N 3.41Å; T2-F4 PolarHBondContact O-N 2.88Å; F4-Y7 PolarHBondContact O-N 3.17Å; F4-V8 HydrophobicContact CD1-CG2 4.07Å; F4-V8 HydrophobicContact CE1-CG2 4.03Å; F4-V8 WeakPolarHBondContact O-CG2 3.49Å; F4-V8 PolarHBondContact O-N 2.94Å |
| 5 | G | 47.7 | Very low | 45.9 | Very low | 44 Ų | 44 | 101.1 Ų | 101.1 | 45% | 0.454 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -58.5 | -47.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | M1 T2 Y7 V8 S9 | M1-G5 PolarHBondContact O-N 2.78Å; M1-G5 VanDerWaalsContact O-N 3.16Å; T2-G5 PolarHBondContact O-N 3.18Å; G5-Y7 VanDerWaalsContact C-N 3.34Å; G5-Y7 PolarHBondContact O-N 3.15Å; G5-V8 PolarHBondContact O-N 3.12Å; G5-S9 WeakPolarHBondContact O-CB 3.44Å; G5-S9 PolarHBondContact O-N 2.95Å |
| 6 | K | 45.2 | Very low | 46.1 | Very low | 112 Ų | 112 | 97 Ų | 97 | 49% | 0.487 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.9 | -34.5 | 176.6 | -66.3 | -149.6 | 174.9 | -151.6 | 0 | 113.1 | T2 N10 D38 | T2-K6 PolarHBondContact O-N 2.86Å; K6-N10 WeakPolarHBondContact O-CB 3.48Å; K6-N10 PolarHBondContact O-N 2.65Å; K6-D38 WeakPolarHBondContact CE-OD2 3.22Å; K6-D38 IonicContact NZ-OD1 3.17Å; K6-D38 PolarHBondContact NZ-OD1 3.37Å; K6-D38 IonicContact NZ-OD2 3.62Å; K6-D38 PolarHBondContact NZ-OD2 2.96Å |
| 7 | Y | 45.2 | Very low | 46.4 | Very low | 191 Ų | 191 | 96.4 Ų | 96.4 | 75% | 0.749 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -67.9 | -41.5 | 174.9 | -123.9 | -81.5 | 0 | 0 | 0 | 112.8 | S3 F4 G5 F11 | S3-Y7 PolarHBondContact O-N 3.46Å; F4-Y7 PolarHBondContact O-N 3.17Å; G5-Y7 VanDerWaalsContact C-N 3.34Å; G5-Y7 PolarHBondContact O-N 3.15Å; Y7-F11 WeakPolarHBondContact O-CB 3.42Å; Y7-F11 PolarHBondContact O-N 3.06Å |
| 8 | V | 50.3 | Low | 46.8 | Very low | 74 Ų | 74 | 96.9 Ų | 96.9 | 45% | 0.448 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -69.2 | -41.3 | 176.1 | 174.4 | 0 | 0 | 0 | 0 | 111.2 | F4 G5 F11 V12 | F4-V8 HydrophobicContact CD1-CG2 4.07Å; F4-V8 HydrophobicContact CE1-CG2 4.03Å; F4-V8 WeakPolarHBondContact O-CG2 3.49Å; F4-V8 PolarHBondContact O-N 2.94Å; G5-V8 PolarHBondContact O-N 3.12Å; V8-F11 PolarHBondContact O-N 3.4Å; V8-V12 HydrophobicContact CG1-CG2 4.43Å; V8-V12 WeakPolarHBondContact O-CG2 3.18Å; V8-V12 PolarHBondContact O-N 2.88Å |
| 9 | S | 48.6 | Very low | 47.5 | Very low | 44 Ų | 44 | 94.7 Ų | 94.7 | 31% | 0.308 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -57.8 | -49.9 | 174.6 | -179.5 | 0 | 0 | 0 | 0 | 111.4 | G5 F11 V12 K13 | G5-S9 WeakPolarHBondContact O-CB 3.44Å; G5-S9 PolarHBondContact O-N 2.95Å; S9-F11 VanDerWaalsContact C-N 3.32Å; S9-F11 PolarHBondContact O-N 2.92Å; S9-V12 PolarHBondContact O-N 3.41Å; S9-K13 WeakPolarHBondContact O-CB 3.49Å; S9-K13 WeakPolarHBondContact O-CG 3.21Å; S9-K13 PolarHBondContact O-N 3.3Å |
| 10 | N | 43.3 | Very low | 48.5 | Very low | 89 Ų | 89 | 93.3 Ų | 93.3 | 48% | 0.476 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.6 | -34 | 176 | -76.2 | -9.2 | 0 | 0 | 0 | 113.2 | K6 T14 | K6-N10 WeakPolarHBondContact O-CB 3.48Å; K6-N10 PolarHBondContact O-N 2.65Å; N10-T14 WeakPolarHBondContact O-CB 3.47Å; N10-T14 PolarHBondContact O-N 2.9Å; N10-T14 PolarHBondContact O-OG1 2.93Å |
| 11 | F | 45.6 | Very low | 49.5 | Very low | 156 Ų | 156 | 91.6 Ų | 91.6 | 68% | 0.684 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -68.3 | -40.5 | 174.7 | -166.4 | -96.3 | 0 | 0 | 0 | 112.1 | Y7 V8 S9 T14 A15 | Y7-F11 WeakPolarHBondContact O-CB 3.42Å; Y7-F11 PolarHBondContact O-N 3.06Å; V8-F11 PolarHBondContact O-N 3.4Å; S9-F11 VanDerWaalsContact C-N 3.32Å; S9-F11 PolarHBondContact O-N 2.92Å; F11-T14 WeakPolarHBondContact O-CB 3.43Å; F11-T14 PolarHBondContact O-N 3.21Å; F11-A15 PolarHBondContact O-N 3.45Å |
| 12 | V | 49.9 | Very low | 50.8 | Low | 80 Ų | 80 | 84.2 Ų | 84.2 | 49% | 0.485 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.7 | -47.7 | 173.8 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | V8 S9 T14 A15 V16 | V8-V12 HydrophobicContact CG1-CG2 4.43Å; V8-V12 WeakPolarHBondContact O-CG2 3.18Å; V8-V12 PolarHBondContact O-N 2.88Å; S9-V12 PolarHBondContact O-N 3.41Å; V12-T14 PolarHBondContact O-N 2.69Å; V12-A15 CarbonylContact O-C 3.56Å; V12-A15 PolarHBondContact O-N 3.19Å; V12-V16 WeakPolarHBondContact O-CG2 3.46Å; V12-V16 PolarHBondContact O-N 3.06Å |
| 13 | K | 49.5 | Very low | 52.5 | Low | 16 Ų | 16 | 83.1 Ų | 83.1 | 7% | 0.07 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -58.8 | -26.9 | 174.1 | -74.3 | 179.3 | 169 | -177.5 | 0 | 113.1 | S9 E35 C39 V54 | S9-K13 WeakPolarHBondContact O-CB 3.49Å; S9-K13 WeakPolarHBondContact O-CG 3.21Å; S9-K13 PolarHBondContact O-N 3.3Å; K13-E35 WeakPolarHBondContact CE-O 3.39Å; K13-E35 WeakPolarHBondContact CE-OE1 3.49Å; K13-E35 PolarHBondContact NZ-O 2.8Å; K13-E35 IonicContact NZ-OE1 2.78Å; K13-C39 PolarHBondContact NZ-SG 3.13Å; K13-V54 HydrophobicContact CD-CG1 4.14Å; K13-V54 HydrophobicContact CG-CG1 4.43Å |
| 14 | T | 45.3 | Very low | 54.7 | Low | 68 Ų | 68 | 78.7 Ų | 78.7 | 42% | 0.417 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -77.2 | -43.4 | 170.8 | -54.9 | 0 | 0 | 0 | 0 | 111.7 | N10 F11 V12 V16 S17 | N10-T14 WeakPolarHBondContact O-CB 3.47Å; N10-T14 PolarHBondContact O-N 2.9Å; N10-T14 PolarHBondContact O-OG1 2.93Å; F11-T14 WeakPolarHBondContact O-CB 3.43Å; F11-T14 PolarHBondContact O-N 3.21Å; V12-T14 PolarHBondContact O-N 2.69Å; T14-V16 VanDerWaalsContact C-N 3.26Å; T14-V16 PolarHBondContact O-N 3.32Å; T14-S17 WeakPolarHBondContact O-CB 3.39Å; T14-S17 PolarHBondContact O-N 2.72Å; T14-S17 VanDerWaalsContact O-N 3.14Å; T14-S17 PolarHBondContact O-OG 3.03Å; T14-S17 VanDerWaalsContact O-OG 3.09Å |
| 15 | A | 46.2 | Very low | 56.9 | Low | 56 Ų | 56 | 72.8 Ų | 72.8 | 46% | 0.463 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.2 | -26.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | F11 V12 S17 S18 | F11-A15 PolarHBondContact O-N 3.45Å; V12-A15 CarbonylContact O-C 3.56Å; V12-A15 PolarHBondContact O-N 3.19Å; A15-S17 PolarHBondContact O-N 3.11Å; A15-S17 VanDerWaalsContact O-N 3.16Å; A15-S18 WeakPolarHBondContact O-CB 3.38Å; A15-S18 PolarHBondContact O-N 3.21Å; A15-S18 VanDerWaalsContact O-N 3.11Å; A15-S18 PolarHBondContact O-OG 2.74Å |
| 16 | V | 49.5 | Very low | 58.8 | Low | 36 Ų | 36 | 72.2 Ų | 72.2 | 22% | 0.218 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -61.5 | -14.9 | 172.3 | 165.1 | 0 | 0 | 0 | 0 | 112.8 | V12 T14 S18 I19 | V12-V16 WeakPolarHBondContact O-CG2 3.46Å; V12-V16 PolarHBondContact O-N 3.06Å; T14-V16 VanDerWaalsContact C-N 3.26Å; T14-V16 PolarHBondContact O-N 3.32Å; V16-S18 PolarHBondContact O-N 3.47Å; V16-I19 HydrophobicContact CG1-CD1 4.21Å; V16-I19 WeakPolarHBondContact O-CB 3.46Å; V16-I19 PolarHBondContact O-N 2.94Å |
| 17 | S | 51.1 | Low | 60.8 | Low | 86 Ų | 86 | 68 Ų | 68 | 60% | 0.601 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -62.7 | -8.7 | 169.5 | 83 | 0 | 0 | 0 | 0 | 114.3 | T14 A15 I19 | T14-S17 WeakPolarHBondContact O-CB 3.39Å; T14-S17 PolarHBondContact O-N 2.72Å; T14-S17 VanDerWaalsContact O-N 3.14Å; T14-S17 PolarHBondContact O-OG 3.03Å; T14-S17 VanDerWaalsContact O-OG 3.09Å; A15-S17 PolarHBondContact O-N 3.11Å; A15-S17 VanDerWaalsContact O-N 3.16Å; S17-I19 VanDerWaalsContact C-N 3.34Å |
| 18 | S | 53.5 | Low | 62.7 | Low | 107 Ų | 107 | 59.7 Ų | 59.7 | 75% | 0.748 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -78.9 | -14.2 | 169.9 | 61.3 | 0 | 0 | 0 | 0 | 113.8 | A15 V16 | A15-S18 WeakPolarHBondContact O-CB 3.38Å; A15-S18 PolarHBondContact O-N 3.21Å; A15-S18 VanDerWaalsContact O-N 3.11Å; A15-S18 PolarHBondContact O-OG 2.74Å; V16-S18 PolarHBondContact O-N 3.47Å |
| 19 | I | 59.8 | Low | 64.3 | Low | 54 Ų | 54 | 59.8 Ų | 59.8 | 28% | 0.277 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -80.4 | 129.4 | 175.2 | -56.2 | -173.4 | 0 | 0 | 0 | 108.9 | V16 S17 K23 I25 | V16-I19 HydrophobicContact CG1-CD1 4.21Å; V16-I19 WeakPolarHBondContact O-CB 3.46Å; V16-I19 PolarHBondContact O-N 2.94Å; S17-I19 VanDerWaalsContact C-N 3.34Å; I19-K23 HydrophobicContact CG2-CB 4Å; I19-K23 HydrophobicContact CG2-CD 3.95Å; I19-K23 HydrophobicContact CG2-CG 4.43Å; I19-I25 HydrophobicContact CD1-CD1 3.87Å; I19-I25 HydrophobicContact CG2-CD1 4.42Å |
| 20 | S | 67.1 | Low | 65.9 | Low | 66 Ų | 66 | 61.3 Ų | 61.3 | 46% | 0.462 | 36% | 0.358 | S | S | . | . | trans | -48.3 | 130.5 | 176.2 | 174.3 | 0 | 0 | 0 | 0 | 111.3 | N22 K23 | S20-N22 PolarHBondContact O-N 2.89Å; S20-K23 WeakPolarHBondContact O-CB 3.41Å; S20-K23 PolarHBondContact O-N 3.42Å | ||
| 21 | P | 70.1 | Confident | 68 | Low | 58 Ų | 58 | 61.1 Ų | 61.1 | 38% | 0.377 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -14.5 | -174.5 | 23.8 | -33.8 | 0 | 0 | 0 | 114 | F82 R83 | P21-F82 CarbonylContact O-C 3.59Å; P21-F82 VanDerWaalsContact O-CA 3.23Å; P21-F82 WeakPolarHBondContact O-CA 3.42Å; P21-R83 HydrophobicContact CB-CB 4.32Å; P21-R83 WeakPolarHBondContact CB-O 3.45Å; P21-R83 PolarHBondContact O-N 3.41Å |
| 22 | N | 69.2 | Low | 70 | Confident | 56 Ų | 56 | 54.7 Ų | 54.7 | 30% | 0.299 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -2.3 | 176.4 | -56.4 | -15.9 | 0 | 0 | 0 | 113.2 | S20 V24 R129 | S20-N22 PolarHBondContact O-N 2.89Å; N22-V24 PolarHBondContact O-N 3.38Å; N22-R129 WeakPolarHBondContact OD1-CD 3.48Å; N22-R129 PolarHBondContact OD1-NH1 2.71Å |
| 23 | K | 82.5 | Confident | 71.6 | Confident | 104 Ų | 104 | 56.1 Ų | 56.1 | 45% | 0.452 | 33% | 0.327 | S | S | . | . | trans | -81 | 113.7 | -176.9 | -172.3 | -179.2 | -175.9 | -179 | 0 | 110.1 | I19 S20 R83 | I19-K23 HydrophobicContact CG2-CB 4Å; I19-K23 HydrophobicContact CG2-CD 3.95Å; I19-K23 HydrophobicContact CG2-CG 4.43Å; S20-K23 WeakPolarHBondContact O-CB 3.41Å; S20-K23 PolarHBondContact O-N 3.42Å; K23-R83 PolarHBondContact O-NH1 3.27Å; K23-R83 PolarHBondContact O-NH2 3.08Å | ||
| 24 | V | 87.6 | Confident | 73.4 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 36% | 0.355 | C | S | . | . | trans | -63.5 | 139.8 | 174.1 | 175.8 | 0 | 0 | 0 | 0 | 109.6 | N22 Y79 S80 L81 R118 L121 E122 | N22-V24 PolarHBondContact O-N 3.38Å; V24-Y79 HydrophobicContact CG1-CD1 3.65Å; V24-Y79 HydrophobicContact CG1-CE1 4.49Å; V24-Y79 HydrophobicContact CG1-CG 4.28Å; V24-S80 CarbonylContact C-O 3.47Å; V24-S80 WeakPolarHBondContact CA-O 3.39Å; V24-S80 WeakPolarHBondContact CG1-O 3.34Å; V24-L81 HydrophobicContact CG1-CD2 4.36Å; V24-L81 HydrophobicContact CG2-CD2 4.24Å; V24-R118 HydrophobicContact CB-CG 4.34Å; V24-R118 HydrophobicContact CG1-CG 4.15Å; V24-R118 PolarHBondContact O-NH1 3.27Å; V24-R118 PolarHBondContact O-NH2 3.08Å; V24-L121 HydrophobicContact CG1-CB 4.33Å; V24-L121 HydrophobicContact CG2-CB 4Å; V24-E122 HydrophobicContact CB-CG 3.58Å; V24-E122 HydrophobicContact CG2-CB 4.33Å; V24-E122 HydrophobicContact CG2-CG 3.43Å; V24-E122 VanDerWaalsContact CG2-CG 3.43Å; V24-E122 PolarHBondContact N-OE1 3.04Å | ||
| 25 | I | 87.7 | Confident | 75.2 | Confident | 32 Ų | 32 | 59 Ų | 59 | 16% | 0.164 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 115 | 174 | -63 | -178.9 | 0 | 0 | 0 | 108.6 | I19 Y27 Y79 S80 R83 | I19-I25 HydrophobicContact CD1-CD1 3.87Å; I19-I25 HydrophobicContact CG2-CD1 4.42Å; I25-Y27 HydrophobicContact CB-CE2 4.16Å; I25-Y27 HydrophobicContact CG2-CD1 4.39Å; I25-Y27 HydrophobicContact CG2-CD2 4.24Å; I25-Y27 HydrophobicContact CG2-CE1 4.02Å; I25-Y27 HydrophobicContact CG2-CE2 3.82Å; I25-Y79 WeakPolarHBondContact O-CA 3.37Å; I25-S80 PolarHBondContact N-O 2.86Å; I25-S80 PolarHBondContact O-N 3.35Å; I25-R83 VanDerWaalsContact CD1-NH2 3.34Å |
| 26 | P | 87.7 | Confident | 77.2 | Confident | 32 Ų | 32 | 57 Ų | 57 | 21% | 0.208 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 139.7 | 166.6 | 29.8 | -31.8 | 0 | 0 | 0 | 109.9 | V76 A78 Y79 | P26-V76 HydrophobicContact CB-CG1 3.6Å; P26-V76 HydrophobicContact CB-CG2 4.07Å; P26-A78 WeakPolarHBondContact CA-O 3.35Å; P26-Y79 HydrophobicContact CB-CD1 3.91Å; P26-Y79 HydrophobicContact CB-CE1 3.74Å |
| 27 | Y | 86.7 | Confident | 78.8 | Confident | 24 Ų | 24 | 63.6 Ų | 63.6 | 9% | 0.094 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 140 | 173.2 | -68.9 | -75.5 | 0 | 0 | 0 | 109.9 | I25 Q31 E35 Y36 Y77 A78 | I25-Y27 HydrophobicContact CB-CE2 4.16Å; I25-Y27 HydrophobicContact CG2-CD1 4.39Å; I25-Y27 HydrophobicContact CG2-CD2 4.24Å; I25-Y27 HydrophobicContact CG2-CE1 4.02Å; I25-Y27 HydrophobicContact CG2-CE2 3.82Å; Y27-Q31 HydrophobicContact CD1-CB 3.86Å; Y27-E35 HydrophobicContact CE1-CB 4.46Å; Y27-E35 HydrophobicContact CE1-CG 4.33Å; Y27-Y36 HydrophobicContact CD2-CE2 4.47Å; Y27-Y36 HydrophobicContact CE2-CE2 4.04Å; Y27-Y77 PolarHBondContact O-N 3.43Å; Y27-A78 PolarHBondContact N-O 3.01Å; Y27-A78 PolarHBondContact O-N 3.34Å; Y27-A78 VanDerWaalsContact O-N 3.16Å |
| 28 | T | 85.5 | Confident | 80.4 | Confident | 15 Ų | 15 | 64.3 Ų | 64.3 | 9% | 0.092 | 35% | 0.352 | C | S | . | . | trans | -77.3 | 166 | 162.8 | 65.6 | 0 | 0 | 0 | 0 | 110 | S30 Q31 Y32 E74 | T28-S30 PolarHBondContact O-N 2.84Å; T28-Q31 VanDerWaalsContact N-OE1 3.1Å; T28-Q31 PolarHBondContact O-N 3.18Å; T28-Q31 VanDerWaalsContact O-N 3.15Å; T28-Q31 VanDerWaalsContact OG1-CG 3.28Å; T28-Q31 WeakPolarHBondContact OG1-CG 3.28Å; T28-Y32 PolarHBondContact O-N 3.23Å; T28-E74 HydrophobicContact CG2-CB 3.63Å; T28-E74 HydrophobicContact CG2-CG 4.42Å | ||
| 29 | L | 83 | Confident | 81.9 | Confident | 76 Ų | 76 | 60.2 Ų | 60.2 | 40% | 0.398 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -53 | -50.4 | -176.5 | 174.7 | 60.5 | 0 | 0 | 0 | 112.4 | Q31 Y32 E33 Y77 | L29-Q31 VanDerWaalsContact C-N 3.32Å; L29-Q31 PolarHBondContact O-N 3.19Å; L29-Y32 PolarHBondContact O-N 2.98Å; L29-E33 HydrophobicContact CD1-CG 4.12Å; L29-E33 WeakPolarHBondContact O-CG 3.48Å; L29-E33 PolarHBondContact O-N 3.29Å; L29-Y77 HydrophobicContact CB-CD1 4.39Å; L29-Y77 HydrophobicContact CB-CD2 4.25Å; L29-Y77 HydrophobicContact CB-CG 4Å; L29-Y77 HydrophobicContact CD1-CD1 3.79Å; L29-Y77 HydrophobicContact CD1-CD2 4.06Å; L29-Y77 HydrophobicContact CD1-CE1 3.61Å; L29-Y77 HydrophobicContact CD1-CE2 3.89Å; L29-Y77 HydrophobicContact CD1-CG 4.02Å |
| 30 | S | 83.5 | Confident | 83.4 | Confident | 76 Ų | 76 | 62.6 Ų | 62.6 | 53% | 0.531 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.7 | -30.3 | -178.9 | 53.5 | 0 | 0 | 0 | 0 | 113.7 | T28 S34 | T28-S30 PolarHBondContact O-N 2.84Å; S30-S34 VanDerWaalsContact O-CB 3.29Å; S30-S34 WeakPolarHBondContact O-CB 3.44Å; S30-S34 PolarHBondContact O-N 2.87Å; S30-S34 VanDerWaalsContact O-N 3.14Å |
| 31 | Q | 87 | Confident | 84.5 | Confident | 85 Ų | 85 | 63.7 Ų | 63.7 | 40% | 0.397 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -73.4 | -41.8 | 173.5 | -63.4 | 166.7 | -1.3 | 0 | 0 | 111.1 | Y27 T28 L29 S34 E35 | Y27-Q31 HydrophobicContact CD1-CB 3.86Å; T28-Q31 VanDerWaalsContact N-OE1 3.1Å; T28-Q31 PolarHBondContact O-N 3.18Å; T28-Q31 VanDerWaalsContact O-N 3.15Å; T28-Q31 VanDerWaalsContact OG1-CG 3.28Å; T28-Q31 WeakPolarHBondContact OG1-CG 3.28Å; L29-Q31 VanDerWaalsContact C-N 3.32Å; L29-Q31 PolarHBondContact O-N 3.19Å; Q31-S34 PolarHBondContact O-N 3.5Å; Q31-E35 VanDerWaalsContact O-CB 3.27Å; Q31-E35 WeakPolarHBondContact O-CB 3.35Å; Q31-E35 PolarHBondContact O-N 3.3Å |
| 32 | Y | 86.6 | Confident | 85.4 | Confident | 21 Ų | 21 | 62.6 Ų | 62.6 | 8% | 0.082 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.4 | -48.2 | 177.3 | 174.8 | -108.6 | 0 | 0 | 0 | 111.5 | T28 L29 E35 Y36 Y52 V61 L63 Y77 A78 | T28-Y32 PolarHBondContact O-N 3.23Å; L29-Y32 PolarHBondContact O-N 2.98Å; Y32-E35 PolarHBondContact O-N 3.25Å; Y32-Y36 AromaticContact CD2-CD2 3.48Å; Y32-Y36 HydrophobicContact CD2-CD2 3.48Å; Y32-Y36 VanDerWaalsContact CD2-CD2 3.48Å; Y32-Y36 AromaticContact CD2-CE2 3.94Å; Y32-Y36 HydrophobicContact CD2-CE2 3.94Å; Y32-Y36 HydrophobicContact CD2-CG 4.32Å; Y32-Y36 AromaticContact CE2-CD2 3.6Å; Y32-Y36 HydrophobicContact CE2-CD2 3.6Å; Y32-Y36 HydrophobicContact CE2-CE2 4.15Å; Y32-Y36 HydrophobicContact CE2-CG 4.03Å; Y32-Y36 HydrophobicContact CG-CD2 4.44Å; Y32-Y36 WeakPolarHBondContact O-CD2 3.29Å; Y32-Y36 PolarHBondContact O-N 2.97Å; Y32-Y52 HydrophobicContact CE2-CE2 4.43Å; Y32-Y52 PolarHBondContact OH-OH 3.16Å; Y32-Y52 VanDerWaalsContact OH-OH 3.08Å; Y32-V61 HydrophobicContact CD2-CG1 4.22Å; Y32-V61 HydrophobicContact CE2-CB 4.46Å; Y32-V61 HydrophobicContact CE2-CG1 3.73Å; Y32-L63 HydrophobicContact CE1-CD2 4.31Å; Y32-L63 HydrophobicContact CE2-CD1 4.27Å; Y32-Y77 AromaticContact CD1-CD1 3.82Å; Y32-Y77 HydrophobicContact CD1-CD1 3.82Å; Y32-Y77 AromaticContact CD1-CE1 3.61Å; Y32-Y77 HydrophobicContact CD1-CE1 3.61Å; Y32-Y77 HydrophobicContact CE1-CE1 4.01Å; Y32-Y77 HydrophobicContact CG-CD1 4.16Å; Y32-Y77 HydrophobicContact CG-CE1 4.39Å; Y32-A78 HydrophobicContact CD2-CB 3.66Å; Y32-A78 HydrophobicContact CE2-CB 4.17Å; Y32-A78 HydrophobicContact CG-CB 3.92Å |
| 33 | E | 85.4 | Confident | 86.4 | Confident | 110 Ų | 110 | 62.7 Ų | 62.7 | 51% | 0.514 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -55.7 | -53.4 | 173.7 | -70.6 | 172.6 | 156.6 | 0 | 0 | 110.7 | L29 E35 Y36 E37 | L29-E33 HydrophobicContact CD1-CG 4.12Å; L29-E33 WeakPolarHBondContact O-CG 3.48Å; L29-E33 PolarHBondContact O-N 3.29Å; E33-E35 VanDerWaalsContact C-N 3.31Å; E33-E35 PolarHBondContact O-N 2.99Å; E33-Y36 PolarHBondContact O-N 3.23Å; E33-E37 VanDerWaalsContact O-CB 3.27Å; E33-E37 WeakPolarHBondContact O-CB 3.29Å; E33-E37 PolarHBondContact O-N 3.07Å |
| 34 | S | 85.8 | Confident | 86.7 | Confident | 94 Ų | 94 | 61.8 Ų | 61.8 | 66% | 0.657 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -66.5 | -24.5 | -177.7 | -175.2 | 0 | 0 | 0 | 0 | 115 | S30 Q31 | S30-S34 VanDerWaalsContact O-CB 3.29Å; S30-S34 WeakPolarHBondContact O-CB 3.44Å; S30-S34 PolarHBondContact O-N 2.87Å; S30-S34 VanDerWaalsContact O-N 3.14Å; Q31-S34 PolarHBondContact O-N 3.5Å |
| 35 | E | 83.3 | Confident | 86.7 | Confident | 52 Ų | 52 | 65.7 Ų | 65.7 | 24% | 0.243 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -85.8 | -36.2 | 179.3 | -168.8 | 71.1 | -117.1 | 0 | 0 | 111.3 | K13 Y27 Q31 Y32 E33 C39 | K13-E35 WeakPolarHBondContact CE-O 3.39Å; K13-E35 WeakPolarHBondContact CE-OE1 3.49Å; K13-E35 PolarHBondContact NZ-O 2.8Å; K13-E35 IonicContact NZ-OE1 2.78Å; Y27-E35 HydrophobicContact CE1-CB 4.46Å; Y27-E35 HydrophobicContact CE1-CG 4.33Å; Q31-E35 VanDerWaalsContact O-CB 3.27Å; Q31-E35 WeakPolarHBondContact O-CB 3.35Å; Q31-E35 PolarHBondContact O-N 3.3Å; Y32-E35 PolarHBondContact O-N 3.25Å; E33-E35 VanDerWaalsContact C-N 3.31Å; E33-E35 PolarHBondContact O-N 2.99Å; E35-C39 PolarHBondContact O-SG 2.9Å |
| 36 | Y | 88.2 | Confident | 86.3 | Confident | 12 Ų | 12 | 69.9 Ų | 69.9 | 5% | 0.047 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -108.1 | -8.4 | -170.9 | -65.9 | -85.8 | 0 | 0 | 0 | 115.9 | Y27 Y32 E33 D38 C39 Y52 V54 D59 V61 | Y27-Y36 HydrophobicContact CD2-CE2 4.47Å; Y27-Y36 HydrophobicContact CE2-CE2 4.04Å; Y32-Y36 AromaticContact CD2-CD2 3.48Å; Y32-Y36 HydrophobicContact CD2-CD2 3.48Å; Y32-Y36 VanDerWaalsContact CD2-CD2 3.48Å; Y32-Y36 AromaticContact CD2-CE2 3.94Å; Y32-Y36 HydrophobicContact CD2-CE2 3.94Å; Y32-Y36 HydrophobicContact CD2-CG 4.32Å; Y32-Y36 AromaticContact CE2-CD2 3.6Å; Y32-Y36 HydrophobicContact CE2-CD2 3.6Å; Y32-Y36 HydrophobicContact CE2-CE2 4.15Å; Y32-Y36 HydrophobicContact CE2-CG 4.03Å; Y32-Y36 HydrophobicContact CG-CD2 4.44Å; Y32-Y36 WeakPolarHBondContact O-CD2 3.29Å; Y32-Y36 PolarHBondContact O-N 2.97Å; E33-Y36 PolarHBondContact O-N 3.23Å; Y36-D38 VanDerWaalsContact C-N 3.28Å; Y36-D38 PolarHBondContact O-N 2.97Å; Y36-C39 HydrophobicContact CD1-CB 4.31Å; Y36-C39 WeakPolarHBondContact O-CB 3.34Å; Y36-C39 PolarHBondContact O-N 3.17Å; Y36-Y52 HydrophobicContact CD1-CD1 4.1Å; Y36-Y52 AromaticContact CD1-CD2 3.41Å; Y36-Y52 HydrophobicContact CD1-CD2 3.41Å; Y36-Y52 VanDerWaalsContact CD1-CD2 3.41Å; Y36-Y52 AromaticContact CD1-CE2 3.91Å; Y36-Y52 HydrophobicContact CD1-CE2 3.91Å; Y36-Y52 AromaticContact CD1-CG 3.53Å; Y36-Y52 HydrophobicContact CD1-CG 3.53Å; Y36-Y52 AromaticContact CE1-CD2 3.75Å; Y36-Y52 HydrophobicContact CE1-CD2 3.75Å; Y36-Y52 HydrophobicContact CE1-CG 4.01Å; Y36-Y52 HydrophobicContact CG-CD2 4.22Å; Y36-Y52 HydrophobicContact CG-CE2 4.28Å; Y36-V54 HydrophobicContact CE1-CG2 3.94Å; Y36-D59 PolarHBondContact OH-OD2 3.3Å; Y36-V61 HydrophobicContact CD1-CG2 4.48Å; Y36-V61 HydrophobicContact CE1-CG2 3.7Å; Y36-V61 HydrophobicContact CE2-CG2 4.15Å |
| 37 | E | 83.5 | Confident | 86 | Confident | 176 Ų | 176 | 72.1 Ų | 72.1 | 82% | 0.822 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.3 | -42.1 | 177.9 | 178.6 | -178.6 | -154.1 | 0 | 0 | 113.9 | E33 | E33-E37 VanDerWaalsContact O-CB 3.27Å; E33-E37 WeakPolarHBondContact O-CB 3.29Å; E33-E37 PolarHBondContact O-N 3.07Å |
| 38 | D | 83.8 | Confident | 86.1 | Confident | 100 Ų | 100 | 72.3 Ų | 72.3 | 54% | 0.535 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 5.8 | -177.1 | -113.4 | -13.2 | 0 | 0 | 0 | 113.3 | K6 Y36 | K6-D38 WeakPolarHBondContact CE-OD2 3.22Å; K6-D38 IonicContact NZ-OD1 3.17Å; K6-D38 PolarHBondContact NZ-OD1 3.37Å; K6-D38 IonicContact NZ-OD2 3.62Å; K6-D38 PolarHBondContact NZ-OD2 2.96Å; Y36-D38 VanDerWaalsContact C-N 3.28Å; Y36-D38 PolarHBondContact O-N 2.97Å |
| 39 | C | 87 | Confident | 86.4 | Confident | 22 Ų | 22 | 71.6 Ų | 71.6 | 15% | 0.149 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -98.7 | 141.3 | -171 | -68.5 | 0 | 0 | 0 | 0 | 113.4 | K13 E35 Y36 Q41 Y52 | K13-C39 PolarHBondContact NZ-SG 3.13Å; E35-C39 PolarHBondContact O-SG 2.9Å; Y36-C39 HydrophobicContact CD1-CB 4.31Å; Y36-C39 WeakPolarHBondContact O-CB 3.34Å; Y36-C39 PolarHBondContact O-N 3.17Å; C39-Q41 PolarHBondContact O-N 2.86Å; C39-Y52 HydrophobicContact CB-CD1 4.03Å |
| 40 | E | 89.6 | Confident | 86.8 | Confident | 104 Ų | 104 | 69.2 Ų | 69.2 | 49% | 0.486 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 112 | 178.1 | 179.4 | -179.8 | -168.1 | 0 | 0 | 110.2 | L42 Y52 K53 | E40-L42 HydrophobicContact CG-CD2 3.98Å; E40-L42 PolarHBondContact O-N 3.26Å; E40-Y52 WeakPolarHBondContact O-CA 3.42Å; E40-K53 HydrophobicContact CB-CB 4.21Å; E40-K53 HydrophobicContact CB-CD 4.31Å; E40-K53 HydrophobicContact CG-CD 4.49Å; E40-K53 PolarHBondContact O-N 2.91Å; E40-K53 IonicContact OE1-NZ 2.73Å; E40-K53 WeakPolarHBondContact OE2-CD 3.14Å; E40-K53 WeakPolarHBondContact OE2-CE 3.49Å; E40-K53 IonicContact OE2-NZ 3.49Å; E40-K53 PolarHBondContact OE2-NZ 3.47Å |
| 41 | Q | 90.7 | Very high | 87.3 | Confident | 88 Ų | 88 | 65.6 Ų | 65.6 | 41% | 0.411 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 110.9 | 173.8 | -170.1 | -174.8 | -78.9 | 0 | 0 | 109.8 | C39 Y52 | C39-Q41 PolarHBondContact O-N 2.86Å; Q41-Y52 HydrophobicContact CB-CD1 3.99Å; Q41-Y52 HydrophobicContact CB-CE1 3.66Å; Q41-Y52 HydrophobicContact CG-CD1 4.38Å; Q41-Y52 HydrophobicContact CG-CE1 3.89Å; Q41-Y52 PolarHBondContact OE1-OH 3.19Å |
| 42 | L | 89.3 | Confident | 87.5 | Confident | 36 Ų | 36 | 62.5 Ų | 62.5 | 19% | 0.188 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | -39.3 | -177.8 | -62.9 | 177.8 | 0 | 0 | 0 | 113 | E40 F51 K53 F58 Q88 | E40-L42 HydrophobicContact CG-CD2 3.98Å; E40-L42 PolarHBondContact O-N 3.26Å; L42-F51 HydrophobicContact CB-CD1 4.04Å; L42-F51 HydrophobicContact CD1-CD1 3.91Å; L42-F51 HydrophobicContact CD1-CE1 4Å; L42-F51 PolarHBondContact N-O 3.14Å; L42-K53 HydrophobicContact CD1-CB 4.02Å; L42-K53 HydrophobicContact CG-CB 4.19Å; L42-F58 HydrophobicContact CD1-CD1 3.49Å; L42-F58 VanDerWaalsContact CD1-CD1 3.49Å; L42-F58 HydrophobicContact CD1-CE1 3.61Å; L42-Q88 HydrophobicContact CD1-CG 3.75Å |
| 43 | L | 90.2 | Very high | 87.7 | Confident | 58 Ų | 58 | 64.8 Ų | 64.8 | 30% | 0.304 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 151.2 | 177.8 | -136.7 | 82.5 | 0 | 0 | 0 | 110.8 | F51 F95 L96 | L43-F51 HydrophobicContact CB-CB 4.04Å; L43-F51 PolarHBondContact N-O 3.17Å; L43-F51 PolarHBondContact O-N 3.34Å; L43-F95 HydrophobicContact CB-CD1 4.45Å; L43-F95 HydrophobicContact CB-CE1 3.94Å; L43-F95 HydrophobicContact CD2-CD1 4.06Å; L43-F95 HydrophobicContact CD2-CE1 3.77Å; L43-F95 HydrophobicContact CG-CE1 4.43Å; L43-L96 HydrophobicContact CD2-CD2 3.88Å; L43-L96 HydrophobicContact CD2-CG 4.48Å |
| 44 | Q | 89.8 | Confident | 87.7 | Confident | 85 Ų | 85 | 59.9 Ų | 59.9 | 40% | 0.397 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 127.6 | 173.9 | 179.3 | -177.9 | 17 | 0 | 0 | 107.9 | Y49 Y50 | Q44-Y49 CarbonylContact C-O 3.53Å; Q44-Y49 WeakPolarHBondContact CA-O 3.34Å; Q44-Y50 HydrophobicContact CB-CD1 4.34Å; Q44-Y50 HydrophobicContact CB-CE1 4.42Å; Q44-Y50 HydrophobicContact CG-CD1 3.94Å; Q44-Y50 HydrophobicContact CG-CE1 3.59Å; Q44-Y50 PolarHBondContact NE2-OH 2.97Å |
| 45 | Q | 86.2 | Confident | 87.6 | Confident | 81 Ų | 81 | 58 Ų | 58 | 38% | 0.379 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 125.4 | -176.1 | -162.7 | 72.3 | -29 | 0 | 0 | 109.7 | S47 I48 Y49 I99 | Q45-S47 PolarHBondContact O-N 3.12Å; Q45-I48 PolarHBondContact O-N 2.89Å; Q45-Y49 HydrophobicContact CB-CD2 4.49Å; Q45-Y49 PolarHBondContact N-O 3.33Å; Q45-Y49 PolarHBondContact O-N 3.37Å; Q45-Y49 VanDerWaalsContact O-N 3.07Å; Q45-I99 HydrophobicContact CB-CD1 3.87Å; Q45-I99 HydrophobicContact CG-CD1 4.13Å; Q45-I99 HydrophobicContact CG-CG2 4.42Å |
| 46 | K | 79.4 | Confident | 87.5 | Confident | 120 Ų | 120 | 61.6 Ų | 61.6 | 52% | 0.522 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 20.6 | -177.3 | -57.5 | -172.7 | -173.5 | -176.8 | 0 | 115.8 | I48 D103 | K46-I48 HydrophobicContact CB-CD1 4.46Å; K46-I48 HydrophobicContact CB-CG1 3.98Å; K46-I48 PolarHBondContact O-N 3.44Å; K46-I48 VanDerWaalsContact O-N 3.16Å; K46-D103 VanDerWaalsContact CD-OD1 3.31Å; K46-D103 WeakPolarHBondContact CD-OD1 3.3Å; K46-D103 WeakPolarHBondContact CE-OD1 3.43Å; K46-D103 IonicContact NZ-OD1 2.67Å; K46-D103 PolarHBondContact NZ-OD1 3.12Å; K46-D103 IonicContact NZ-OD2 3.95Å; K46-D103 PolarHBondContact NZ-OD2 3.38Å |
| 47 | S | 82.1 | Confident | 87.4 | Confident | 79 Ų | 79 | 61.8 Ų | 61.8 | 55% | 0.552 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | 12.3 | -175 | -51.1 | 0 | 0 | 0 | 0 | 116 | Q45 Y50 | Q45-S47 PolarHBondContact O-N 3.12Å; S47-Y50 VanDerWaalsContact C-OH 3.31Å; S47-Y50 WeakPolarHBondContact O-CE2 3.46Å; S47-Y50 PolarHBondContact O-OH 2.99Å |
| 48 | I | 88 | Confident | 87.7 | Confident | 29 Ų | 29 | 54.3 Ų | 54.3 | 15% | 0.149 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.9 | -19.2 | -179.5 | 54 | 167.7 | 0 | 0 | 0 | 113.5 | Q45 K46 Y62 L63 H106 | Q45-I48 PolarHBondContact O-N 2.89Å; K46-I48 HydrophobicContact CB-CD1 4.46Å; K46-I48 HydrophobicContact CB-CG1 3.98Å; K46-I48 PolarHBondContact O-N 3.44Å; K46-I48 VanDerWaalsContact O-N 3.16Å; I48-Y62 CarbonylContact O-C 3.59Å; I48-Y62 WeakPolarHBondContact O-CA 3.43Å; I48-L63 WeakPolarHBondContact CB-O 3.43Å; I48-L63 WeakPolarHBondContact CG2-O 3.38Å; I48-L63 PolarHBondContact O-N 2.96Å; I48-H106 WeakPolarHBondContact CD1-CD2 3.49Å; I48-H106 VanDerWaalsContact CD1-NE2 3.29Å; I48-H106 WeakPolarHBondContact CD1-NE2 3.2Å |
| 49 | Y | 91.1 | Very high | 88 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 133.3 | 172.4 | -50.6 | -72.6 | 0 | 0 | 0 | 110.4 | Q44 Q45 M60 V61 Y62 I99 L102 D103 | Q44-Y49 CarbonylContact C-O 3.53Å; Q44-Y49 WeakPolarHBondContact CA-O 3.34Å; Q45-Y49 HydrophobicContact CB-CD2 4.49Å; Q45-Y49 PolarHBondContact N-O 3.33Å; Q45-Y49 PolarHBondContact O-N 3.37Å; Q45-Y49 VanDerWaalsContact O-N 3.07Å; Y49-M60 HydrophobicContact CD1-CE 3.95Å; Y49-V61 WeakPolarHBondContact CA-O 3.48Å; Y49-Y62 AromaticContact CD1-CD2 3.66Å; Y49-Y62 HydrophobicContact CD1-CD2 3.66Å; Y49-Y62 HydrophobicContact CD1-CE2 4.46Å; Y49-Y62 HydrophobicContact CD1-CG 4.28Å; Y49-Y62 AromaticContact CE1-CD2 3.22Å; Y49-Y62 HydrophobicContact CE1-CD2 3.22Å; Y49-Y62 AromaticContact CE1-CE2 3.63Å; Y49-Y62 HydrophobicContact CE1-CE2 3.63Å; Y49-Y62 HydrophobicContact CE1-CG 4.01Å; Y49-I99 HydrophobicContact CD1-CG1 4.18Å; Y49-I99 HydrophobicContact CD2-CD1 4.08Å; Y49-I99 HydrophobicContact CD2-CG1 3.98Å; Y49-I99 HydrophobicContact CD2-CG2 3.81Å; Y49-I99 HydrophobicContact CE2-CG2 3.9Å; Y49-I99 HydrophobicContact CG-CD1 3.89Å; Y49-I99 HydrophobicContact CG-CG1 3.77Å; Y49-I99 HydrophobicContact CG-CG2 4.47Å; Y49-L102 HydrophobicContact CD1-CD2 4.45Å; Y49-L102 HydrophobicContact CE1-CD2 3.73Å; Y49-L102 HydrophobicContact CE1-CG 3.97Å; Y49-D103 HydrophobicContact CE2-CB 4.06Å; Y49-D103 WeakPolarHBondContact OH-CA 3.38Å |
| 50 | Y | 92.6 | Very high | 88.2 | Confident | 26 Ų | 26 | 48.6 Ų | 48.6 | 10% | 0.102 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 135.4 | -174.8 | -62.9 | -101 | 0 | 0 | 0 | 110 | Q44 S47 Y52 V61 L63 F95 | Q44-Y50 HydrophobicContact CB-CD1 4.34Å; Q44-Y50 HydrophobicContact CB-CE1 4.42Å; Q44-Y50 HydrophobicContact CG-CD1 3.94Å; Q44-Y50 HydrophobicContact CG-CE1 3.59Å; Q44-Y50 PolarHBondContact NE2-OH 2.97Å; S47-Y50 VanDerWaalsContact C-OH 3.31Å; S47-Y50 WeakPolarHBondContact O-CE2 3.46Å; S47-Y50 PolarHBondContact O-OH 2.99Å; Y50-Y52 HydrophobicContact CD1-CE2 4.29Å; Y50-Y52 WeakPolarHBondContact CD1-OH 3.46Å; Y50-Y52 HydrophobicContact CG-CE2 4.07Å; Y50-V61 PolarHBondContact N-O 3.47Å; Y50-V61 PolarHBondContact O-N 2.98Å; Y50-L63 HydrophobicContact CD2-CD1 3.98Å; Y50-L63 HydrophobicContact CE2-CD1 4.11Å; Y50-L63 HydrophobicContact CE2-CD2 4.11Å; Y50-F95 VanDerWaalsContact C-CE2 3.44Å; Y50-F95 WeakPolarHBondContact O-CE2 3.34Å |
| 51 | F | 93.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 109.9 | 174.5 | -164.2 | -125.8 | 0 | 0 | 0 | 109.2 | L42 L43 F58 G91 V92 F95 | L42-F51 HydrophobicContact CB-CD1 4.04Å; L42-F51 HydrophobicContact CD1-CD1 3.91Å; L42-F51 HydrophobicContact CD1-CE1 4Å; L42-F51 PolarHBondContact N-O 3.14Å; L43-F51 HydrophobicContact CB-CB 4.04Å; L43-F51 PolarHBondContact N-O 3.17Å; L43-F51 PolarHBondContact O-N 3.34Å; F51-F58 HydrophobicContact CE1-CB 3.95Å; F51-F58 HydrophobicContact CE1-CD1 4.12Å; F51-F58 HydrophobicContact CE1-CG 4.13Å; F51-F58 HydrophobicContact CE2-CB 3.68Å; F51-F58 HydrophobicContact CZ-CB 3.3Å; F51-F58 HydrophobicContact CZ-CD1 4.29Å; F51-F58 AromaticContact CZ-CG 3.84Å; F51-F58 HydrophobicContact CZ-CG 3.84Å; F51-G91 WeakPolarHBondContact CZ-O 3.43Å; F51-V92 HydrophobicContact CD1-CG2 3.81Å; F51-V92 HydrophobicContact CE1-CG2 3.73Å; F51-F95 HydrophobicContact CB-CD1 3.99Å; F51-F95 HydrophobicContact CB-CD2 3.72Å; F51-F95 HydrophobicContact CB-CE1 3.95Å; F51-F95 HydrophobicContact CB-CE2 3.69Å; F51-F95 HydrophobicContact CB-CG 3.87Å; F51-F95 HydrophobicContact CB-CZ 3.78Å; F51-F95 HydrophobicContact CD2-CB 3.75Å; F51-F95 AromaticContact CD2-CD2 3.56Å; F51-F95 HydrophobicContact CD2-CD2 3.56Å; F51-F95 HydrophobicContact CD2-CE2 4.29Å; F51-F95 AromaticContact CD2-CG 3.75Å; F51-F95 HydrophobicContact CD2-CG 3.75Å; F51-F95 HydrophobicContact CE2-CB 3.97Å; F51-F95 HydrophobicContact CE2-CD2 4.48Å; F51-F95 HydrophobicContact CE2-CG 4.47Å; F51-F95 HydrophobicContact CG-CB 4.11Å; F51-F95 HydrophobicContact CG-CD1 4.32Å; F51-F95 AromaticContact CG-CD2 3.93Å; F51-F95 HydrophobicContact CG-CD2 3.93Å; F51-F95 HydrophobicContact CG-CE2 4.39Å; F51-F95 AromaticContact CG-CG 3.88Å; F51-F95 HydrophobicContact CG-CG 3.88Å |
| 52 | Y | 92.4 | Very high | 88.3 | Confident | 19 Ų | 19 | 39.5 Ų | 39.5 | 8% | 0.075 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 145.3 | -177.5 | -71.3 | -76.6 | 0 | 0 | 0 | 111.5 | Y32 Y36 C39 E40 Q41 Y50 F58 D59 V61 | Y32-Y52 HydrophobicContact CE2-CE2 4.43Å; Y32-Y52 PolarHBondContact OH-OH 3.16Å; Y32-Y52 VanDerWaalsContact OH-OH 3.08Å; Y36-Y52 HydrophobicContact CD1-CD1 4.1Å; Y36-Y52 AromaticContact CD1-CD2 3.41Å; Y36-Y52 HydrophobicContact CD1-CD2 3.41Å; Y36-Y52 VanDerWaalsContact CD1-CD2 3.41Å; Y36-Y52 AromaticContact CD1-CE2 3.91Å; Y36-Y52 HydrophobicContact CD1-CE2 3.91Å; Y36-Y52 AromaticContact CD1-CG 3.53Å; Y36-Y52 HydrophobicContact CD1-CG 3.53Å; Y36-Y52 AromaticContact CE1-CD2 3.75Å; Y36-Y52 HydrophobicContact CE1-CD2 3.75Å; Y36-Y52 HydrophobicContact CE1-CG 4.01Å; Y36-Y52 HydrophobicContact CG-CD2 4.22Å; Y36-Y52 HydrophobicContact CG-CE2 4.28Å; C39-Y52 HydrophobicContact CB-CD1 4.03Å; E40-Y52 WeakPolarHBondContact O-CA 3.42Å; Q41-Y52 HydrophobicContact CB-CD1 3.99Å; Q41-Y52 HydrophobicContact CB-CE1 3.66Å; Q41-Y52 HydrophobicContact CG-CD1 4.38Å; Q41-Y52 HydrophobicContact CG-CE1 3.89Å; Q41-Y52 PolarHBondContact OE1-OH 3.19Å; Y50-Y52 HydrophobicContact CD1-CE2 4.29Å; Y50-Y52 WeakPolarHBondContact CD1-OH 3.46Å; Y50-Y52 HydrophobicContact CG-CE2 4.07Å; Y52-F58 CarbonylContact O-C 3.57Å; Y52-F58 WeakPolarHBondContact O-CA 3.32Å; Y52-D59 PolarHBondContact N-O 3.16Å; Y52-D59 PolarHBondContact O-N 2.83Å; Y52-V61 HydrophobicContact CD2-CB 4.45Å; Y52-V61 HydrophobicContact CD2-CG2 3.89Å; Y52-V61 HydrophobicContact CE2-CG2 4.34Å |
| 53 | K | 89.7 | Confident | 88.3 | Confident | 70 Ų | 70 | 38.5 Ų | 38.5 | 30% | 0.304 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 109.4 | 168.4 | -173.3 | -168.5 | -165.1 | 168.5 | 0 | 108.9 | E40 L42 F58 | E40-K53 HydrophobicContact CB-CB 4.21Å; E40-K53 HydrophobicContact CB-CD 4.31Å; E40-K53 HydrophobicContact CG-CD 4.49Å; E40-K53 PolarHBondContact O-N 2.91Å; E40-K53 IonicContact OE1-NZ 2.73Å; E40-K53 WeakPolarHBondContact OE2-CD 3.14Å; E40-K53 WeakPolarHBondContact OE2-CE 3.49Å; E40-K53 IonicContact OE2-NZ 3.49Å; E40-K53 PolarHBondContact OE2-NZ 3.47Å; L42-K53 HydrophobicContact CD1-CB 4.02Å; L42-K53 HydrophobicContact CG-CB 4.19Å; K53-F58 HydrophobicContact CB-CD1 3.95Å; K53-F58 HydrophobicContact CB-CE1 4.18Å; K53-F58 HydrophobicContact CD-CE1 4.35Å; K53-F58 HydrophobicContact CG-CD1 3.95Å; K53-F58 HydrophobicContact CG-CE1 3.77Å |
| 54 | V | 86.6 | Confident | 87.7 | Confident | 6 Ų | 6 | 36 Ų | 36 | 4% | 0.036 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 81 | -172.2 | -172.6 | 0 | 0 | 0 | 0 | 108.7 | K13 Y36 N56 H57 D59 | K13-V54 HydrophobicContact CD-CG1 4.14Å; K13-V54 HydrophobicContact CG-CG1 4.43Å; Y36-V54 HydrophobicContact CE1-CG2 3.94Å; V54-N56 PolarHBondContact O-N 3.03Å; V54-H57 CarbonylContact C-O 3.59Å; V54-H57 PolarHBondContact N-O 3.25Å; V54-H57 PolarHBondContact O-CE1 2.89Å; V54-H57 PolarHBondContact O-N 2.97Å; V54-H57 PolarHBondContact O-ND1 3.28Å; V54-D59 HydrophobicContact CG2-CB 3.9Å |
| 55 | A | 82.9 | Confident | 86.6 | Confident | 55 Ų | 55 | 35.2 Ų | 35.2 | 46% | 0.455 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | -88.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 56 | N | 82 | Confident | 85.1 | Confident | 128 Ų | 128 | 34 Ų | 34 | 68% | 0.684 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.9 | 9.4 | -173.1 | -62.6 | -9 | 0 | 0 | 0 | 113.5 | V54 | V54-N56 PolarHBondContact O-N 3.03Š|
| 57 | H | 86.2 | Confident | 83.7 | Confident | 16 Ų | 16 | 36.1 Ų | 36.1 | 7% | 0.074 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 172.2 | 177.3 | 73.1 | -74.3 | 0 | 0 | 0 | 110.7 | V54 D59 F84 Q85 | V54-H57 CarbonylContact C-O 3.59Å; V54-H57 PolarHBondContact N-O 3.25Å; V54-H57 PolarHBondContact O-CE1 2.89Å; V54-H57 PolarHBondContact O-N 2.97Å; V54-H57 PolarHBondContact O-ND1 3.28Å; H57-D59 IonicContact NE2-OD2 2.74Å; H57-F84 WeakPolarHBondContact CA-O 3.32Å; H57-F84 WeakPolarHBondContact CB-O 3.27Å; H57-Q85 HydrophobicContact CB-CG 3.8Å |
| 58 | F | 89.3 | Confident | 82.1 | Confident | 18 Ų | 18 | 33.1 Ų | 33.1 | 8% | 0.079 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 144.5 | 171.1 | -46.5 | -88.8 | 0 | 0 | 0 | 109.9 | L42 F51 Y52 K53 R83 F84 Q88 | L42-F58 HydrophobicContact CD1-CD1 3.49Å; L42-F58 VanDerWaalsContact CD1-CD1 3.49Å; L42-F58 HydrophobicContact CD1-CE1 3.61Å; F51-F58 HydrophobicContact CE1-CB 3.95Å; F51-F58 HydrophobicContact CE1-CD1 4.12Å; F51-F58 HydrophobicContact CE1-CG 4.13Å; F51-F58 HydrophobicContact CE2-CB 3.68Å; F51-F58 HydrophobicContact CZ-CB 3.3Å; F51-F58 HydrophobicContact CZ-CD1 4.29Å; F51-F58 AromaticContact CZ-CG 3.84Å; F51-F58 HydrophobicContact CZ-CG 3.84Å; Y52-F58 CarbonylContact O-C 3.57Å; Y52-F58 WeakPolarHBondContact O-CA 3.32Å; K53-F58 HydrophobicContact CB-CD1 3.95Å; K53-F58 HydrophobicContact CB-CE1 4.18Å; K53-F58 HydrophobicContact CD-CE1 4.35Å; K53-F58 HydrophobicContact CG-CD1 3.95Å; K53-F58 HydrophobicContact CG-CE1 3.77Å; F58-R83 CarbonylContact O-C 3.37Å; F58-R83 VanDerWaalsContact O-CA 3.3Å; F58-R83 WeakPolarHBondContact O-CA 3.49Å; F58-F84 HydrophobicContact CD2-CD1 4.02Å; F58-F84 PolarHBondContact N-O 2.86Å; F58-F84 PolarHBondContact O-N 2.98Å; F58-Q88 HydrophobicContact CE1-CB 4.06Å; F58-Q88 HydrophobicContact CE1-CG 3.73Å; F58-Q88 HydrophobicContact CZ-CB 3.74Å; F58-Q88 HydrophobicContact CZ-CG 3.95Å |
| 59 | D | 90.3 | Very high | 80.2 | Confident | 3 Ų | 3 | 36.8 Ų | 36.8 | 2% | 0.016 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 130.3 | -178.1 | -158.5 | -42.8 | 0 | 0 | 0 | 109.9 | Y36 Y52 V54 H57 S80 R83 | Y36-D59 PolarHBondContact OH-OD2 3.3Å; Y52-D59 PolarHBondContact N-O 3.16Å; Y52-D59 PolarHBondContact O-N 2.83Å; V54-D59 HydrophobicContact CG2-CB 3.9Å; H57-D59 IonicContact NE2-OD2 2.74Å; D59-S80 WeakPolarHBondContact OD1-CB 3.4Å; D59-S80 PolarHBondContact OD1-OG 3.14Å; D59-S80 PolarHBondContact OD2-OG 3.25Å; D59-R83 HydrophobicContact CB-CG 4.25Å; D59-R83 WeakPolarHBondContact OD2-CD 3.2Å; D59-R83 WeakPolarHBondContact OD2-CG 3.47Å; D59-R83 IonicContact OD2-CZ 3.28Å; D59-R83 IonicContact OD2-NE 2.71Å; D59-R83 PolarHBondContact OD2-NE 2.96Å; D59-R83 IonicContact OD2-NH2 3.18Å |
| 60 | M | 91 | Very high | 78.2 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 119.5 | 172.9 | 173 | 171.4 | -172 | 0 | 0 | 109.5 | Y49 L81 F82 F95 H98 I99 | Y49-M60 HydrophobicContact CD1-CE 3.95Å; M60-L81 HydrophobicContact CB-CB 4.43Å; M60-L81 HydrophobicContact CE-CD1 3.91Å; M60-L81 HydrophobicContact CG-CB 4.22Å; M60-L81 HydrophobicContact CG-CD1 4.1Å; M60-L81 WeakPolarHBondContact O-CB 3.32Å; M60-L81 PolarHBondContact O-N 3.11Å; M60-L81 HydrophobicContact SD-CD1 4.07Å; M60-F82 HydrophobicContact CB-CD1 3.93Å; M60-F82 HydrophobicContact CB-CE1 3.7Å; M60-F82 HydrophobicContact CB-CE2 4.44Å; M60-F82 HydrophobicContact CB-CG 4.4Å; M60-F82 HydrophobicContact CB-CZ 3.95Å; M60-F82 HydrophobicContact CG-CD1 4.46Å; M60-F82 HydrophobicContact CG-CE1 4.13Å; M60-F82 PolarHBondContact N-O 3.43Å; M60-F82 HydrophobicContact SD-CD1 3.93Å; M60-F82 HydrophobicContact SD-CE1 3.37Å; M60-F82 WeakPolarHBondContact SD-CE1 3.48Å; M60-F82 HydrophobicContact SD-CZ 4.21Å; M60-F95 HydrophobicContact CB-CD2 3.9Å; M60-F95 HydrophobicContact CB-CE2 4.39Å; M60-F95 HydrophobicContact CE-CD2 4.12Å; M60-F95 HydrophobicContact CE-CE2 4.13Å; M60-F95 HydrophobicContact CG-CD2 3.55Å; M60-F95 HydrophobicContact CG-CE2 3.76Å; M60-F95 HydrophobicContact SD-CD2 3.74Å; M60-F95 HydrophobicContact SD-CE2 4.24Å; M60-H98 HydrophobicContact CE-CB 4.08Å; M60-H98 HydrophobicContact SD-CB 3.72Å; M60-I99 HydrophobicContact CE-CD1 4.33Å; M60-I99 HydrophobicContact CE-CG1 3.53Å |
| 61 | V | 91.4 | Very high | 76.2 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 139.7 | 178.4 | -165.2 | 0 | 0 | 0 | 0 | 111.4 | Y32 Y36 Y49 Y50 Y52 L63 A78 Y79 | Y32-V61 HydrophobicContact CD2-CG1 4.22Å; Y32-V61 HydrophobicContact CE2-CB 4.46Å; Y32-V61 HydrophobicContact CE2-CG1 3.73Å; Y36-V61 HydrophobicContact CD1-CG2 4.48Å; Y36-V61 HydrophobicContact CE1-CG2 3.7Å; Y36-V61 HydrophobicContact CE2-CG2 4.15Å; Y49-V61 WeakPolarHBondContact CA-O 3.48Å; Y50-V61 PolarHBondContact N-O 3.47Å; Y50-V61 PolarHBondContact O-N 2.98Å; Y52-V61 HydrophobicContact CD2-CB 4.45Å; Y52-V61 HydrophobicContact CD2-CG2 3.89Å; Y52-V61 HydrophobicContact CE2-CG2 4.34Å; V61-L63 HydrophobicContact CG1-CD1 4.03Å; V61-A78 HydrophobicContact CG1-CB 3.96Å; V61-Y79 WeakPolarHBondContact CA-O 3.4Å |
| 62 | Y | 91 | Very high | 74.1 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 126.9 | -177.1 | 164.3 | -126.7 | 0 | 0 | 0 | 111 | I48 Y49 P64 A78 Y79 L81 L102 H106 I116 L121 | I48-Y62 CarbonylContact O-C 3.59Å; I48-Y62 WeakPolarHBondContact O-CA 3.43Å; Y49-Y62 AromaticContact CD1-CD2 3.66Å; Y49-Y62 HydrophobicContact CD1-CD2 3.66Å; Y49-Y62 HydrophobicContact CD1-CE2 4.46Å; Y49-Y62 HydrophobicContact CD1-CG 4.28Å; Y49-Y62 AromaticContact CE1-CD2 3.22Å; Y49-Y62 HydrophobicContact CE1-CD2 3.22Å; Y49-Y62 AromaticContact CE1-CE2 3.63Å; Y49-Y62 HydrophobicContact CE1-CE2 3.63Å; Y49-Y62 HydrophobicContact CE1-CG 4.01Å; Y62-P64 HydrophobicContact CE1-CB 3.91Å; Y62-P64 HydrophobicContact CE2-CB 4.36Å; Y62-A78 CarbonylContact O-C 3.5Å; Y62-A78 WeakPolarHBondContact O-CA 3.05Å; Y62-Y79 HydrophobicContact CD1-CD2 4.3Å; Y62-Y79 PolarHBondContact N-O 3.27Å; Y62-Y79 PolarHBondContact O-N 3.21Å; Y62-L81 HydrophobicContact CD1-CD2 4.49Å; Y62-L81 HydrophobicContact CG-CD1 4.37Å; Y62-L102 HydrophobicContact CD1-CD2 4.14Å; Y62-L102 HydrophobicContact CD2-CD2 4.43Å; Y62-L102 HydrophobicContact CE1-CD2 4.45Å; Y62-L102 HydrophobicContact CG-CD2 4.11Å; Y62-H106 HydrophobicContact CE2-CB 4.43Å; Y62-H106 AromaticContact CZ-ND1 3.94Å; Y62-H106 WeakPolarHBondContact OH-CB 3.21Å; Y62-H106 VanDerWaalsContact OH-CG 3.28Å; Y62-H106 PolarHBondContact OH-ND1 2.86Å; Y62-I116 HydrophobicContact CE1-CD1 4.47Å; Y62-I116 HydrophobicContact CE1-CG2 4.29Å; Y62-L121 HydrophobicContact CD1-CD1 4.07Å; Y62-L121 HydrophobicContact CD1-CD2 3.97Å; Y62-L121 HydrophobicContact CE1-CD1 4.22Å; Y62-L121 HydrophobicContact CE1-CD2 3.92Å |
| 63 | L | 89 | Confident | 72.2 | Confident | 16 Ų | 16 | 53.1 Ų | 53.1 | 8% | 0.084 | 33% | 0.329 | C | S | . | . | trans | -109.4 | 103.9 | 177.4 | -79.3 | 62.8 | 0 | 0 | 0 | 108.2 | Y32 I48 Y50 V61 G65 Y77 A78 | Y32-L63 HydrophobicContact CE1-CD2 4.31Å; Y32-L63 HydrophobicContact CE2-CD1 4.27Å; I48-L63 WeakPolarHBondContact CB-O 3.43Å; I48-L63 WeakPolarHBondContact CG2-O 3.38Å; I48-L63 PolarHBondContact O-N 2.96Å; Y50-L63 HydrophobicContact CD2-CD1 3.98Å; Y50-L63 HydrophobicContact CE2-CD1 4.11Å; Y50-L63 HydrophobicContact CE2-CD2 4.11Å; V61-L63 HydrophobicContact CG1-CD1 4.03Å; L63-G65 VanDerWaalsContact C-N 3.25Å; L63-G65 PolarHBondContact O-N 3.28Å; L63-Y77 HydrophobicContact CD2-CD1 4.46Å; L63-Y77 HydrophobicContact CD2-CE1 3.64Å; L63-Y77 HydrophobicContact CG-CE1 4.15Å; L63-A78 HydrophobicContact CD1-CB 3.7Å; L63-A78 HydrophobicContact CG-CB 4.01Å | ||
| 64 | P | 77.7 | Confident | 70.6 | Confident | 6 Ų | 6 | 55 Ų | 55 | 4% | 0.039 | 34% | 0.339 | C | S | . | . | trans | -71.1 | -9.3 | -170.1 | 27.6 | -36.5 | 0 | 0 | 0 | 115.6 | Y62 S66 Y79 H106 I116 | Y62-P64 HydrophobicContact CE1-CB 3.91Å; Y62-P64 HydrophobicContact CE2-CB 4.36Å; P64-S66 PolarHBondContact O-N 3.24Å; P64-Y79 HydrophobicContact CG-CD2 4.28Å; P64-Y79 HydrophobicContact CG-CE2 4.15Å; P64-H106 PolarHBondContact O-CE1 2.96Å; P64-H106 VanDerWaalsContact O-CE1 3.23Å; P64-I116 HydrophobicContact CB-CG2 4.31Å | ||
| 65 | G | 65.7 | Low | 69.7 | Low | 68 Ų | 68 | 58.7 Ų | 58.7 | 70% | 0.701 | 36% | 0.362 | S | S | * | . | trans | 71.5 | -24.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | L63 | L63-G65 VanDerWaalsContact C-N 3.25Å; L63-G65 PolarHBondContact O-N 3.28Å | ||
| 66 | S | 56 | Low | 69.2 | Low | 55 Ų | 55 | 56.6 Ų | 56.6 | 39% | 0.385 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -86.6 | 152.9 | 170.3 | 54.5 | 0 | 0 | 0 | 0 | 111.8 | P64 G68 | P64-S66 PolarHBondContact O-N 3.24Å; S66-G68 PolarHBondContact O-N 2.83Å |
| 67 | D | 50 | Low | 69 | Low | 164 Ų | 164 | 55.2 Ų | 55.2 | 88% | 0.877 | 33% | 0.329 | S | S | * | . | trans | -55.3 | 102.6 | 174.6 | -73 | -51.2 | 0 | 0 | 0 | 111.5 | ||||
| 68 | G | 47.8 | Very low | 69 | Low | 16 Ų | 16 | 54.5 Ų | 54.5 | 17% | 0.165 | 33% | 0.326 | C | S | . | . | trans | -66.6 | 140.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S66 P70 | S66-G68 PolarHBondContact O-N 2.83Å; G68-P70 VanDerWaalsContact O-N 3.15Å | ||
| 69 | I | 48.4 | Very low | 69 | Low | 107 Ų | 107 | 54.3 Ų | 54.3 | 55% | 0.549 | 33% | 0.325 | S | S | . | . | trans | -52 | 121.9 | 173.2 | -60.6 | 176 | 0 | 0 | 0 | 108.4 | I71 | I69-I71 PolarHBondContact O-N 3.43Å; I69-I71 VanDerWaalsContact O-N 3.14Å | ||
| 70 | P | 49.9 | Very low | 69.1 | Low | 77 Ų | 77 | 54.1 Ų | 54.1 | 50% | 0.5 | 32% | 0.324 | S | S | . | . | trans | -71.1 | 113.3 | -170 | 25.9 | -34 | 0 | 0 | 0 | 111.1 | G68 N72 E74 | G68-P70 VanDerWaalsContact O-N 3.15Å; P70-N72 PolarHBondContact O-N 3.22Å; P70-E74 CarbonylContact C-O 3.52Å; P70-E74 VanDerWaalsContact CA-O 3.29Å; P70-E74 WeakPolarHBondContact CA-O 3.44Å | ||
| 71 | I | 49.2 | Very low | 68.9 | Low | 78 Ų | 78 | 54.1 Ų | 54.1 | 40% | 0.4 | 32% | 0.324 | S | S | . | . | B | Isolated β-bridge | trans | -83.1 | 119 | 175 | -58.7 | -175.8 | 0 | 0 | 0 | 107.1 | I69 G73 E74 V76 | I69-I71 PolarHBondContact O-N 3.43Å; I69-I71 VanDerWaalsContact O-N 3.14Å; I71-G73 PolarHBondContact O-N 3.25Å; I71-G73 VanDerWaalsContact O-N 3.08Å; I71-E74 PolarHBondContact N-O 2.77Å; I71-E74 PolarHBondContact O-N 2.85Å; I71-E74 VanDerWaalsContact O-N 3.13Å; I71-V76 HydrophobicContact CB-CG2 4.28Å; I71-V76 HydrophobicContact CD1-CG2 3.6Å; I71-V76 HydrophobicContact CG1-CG2 3.77Å |
| 72 | N | 48.9 | Very low | 68.6 | Low | 166 Ų | 166 | 54.7 Ų | 54.7 | 89% | 0.888 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 19.2 | -175.5 | -56.2 | -28.4 | 0 | 0 | 0 | 115.2 | P70 | P70-N72 PolarHBondContact O-N 3.22Š|
| 73 | G | 54 | Low | 68.4 | Low | 66 Ų | 66 | 55.7 Ų | 55.7 | 68% | 0.68 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.2 | -4.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | I71 | I71-G73 PolarHBondContact O-N 3.25Å; I71-G73 VanDerWaalsContact O-N 3.08Å |
| 74 | E | 55.8 | Low | 68.2 | Low | 110 Ų | 110 | 57.2 Ų | 57.2 | 51% | 0.514 | 34% | 0.336 | S | S | . | . | B | Isolated β-bridge | trans | -102.7 | 137.1 | 172.5 | -59 | -172.5 | 125 | 0 | 0 | 110.3 | T28 P70 I71 | T28-E74 HydrophobicContact CG2-CB 3.63Å; T28-E74 HydrophobicContact CG2-CG 4.42Å; P70-E74 CarbonylContact C-O 3.52Å; P70-E74 VanDerWaalsContact CA-O 3.29Å; P70-E74 WeakPolarHBondContact CA-O 3.44Å; I71-E74 PolarHBondContact N-O 2.77Å; I71-E74 PolarHBondContact O-N 2.85Å; I71-E74 VanDerWaalsContact O-N 3.13Å |
| 75 | T | 66.8 | Low | 68.4 | Low | 83 Ų | 83 | 63.5 Ų | 63.5 | 51% | 0.509 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -75 | 129.2 | 176.3 | 43.2 | 0 | 0 | 0 | 0 | 110.4 | Y77 | T75-Y77 PolarHBondContact O-N 3.44Š|
| 76 | V | 71.8 | Confident | 69.3 | Low | 11 Ų | 11 | 62.9 Ų | 62.9 | 7% | 0.067 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 122 | 174.6 | -176.1 | 0 | 0 | 0 | 0 | 108.5 | P26 I71 Y79 | P26-V76 HydrophobicContact CB-CG1 3.6Å; P26-V76 HydrophobicContact CB-CG2 4.07Å; I71-V76 HydrophobicContact CB-CG2 4.28Å; I71-V76 HydrophobicContact CD1-CG2 3.6Å; I71-V76 HydrophobicContact CG1-CG2 3.77Å; V76-Y79 HydrophobicContact CG1-CD1 4.32Å; V76-Y79 HydrophobicContact CG1-CD2 4.34Å; V76-Y79 HydrophobicContact CG1-CE1 3.92Å; V76-Y79 HydrophobicContact CG1-CE2 3.94Å |
| 77 | Y | 78.4 | Confident | 70.8 | Confident | 100 Ų | 100 | 67.2 Ų | 67.2 | 39% | 0.392 | 37% | 0.373 | S | S | . | . | trans | -97.3 | -39 | -176.4 | -178.2 | -101.4 | 0 | 0 | 0 | 112.1 | Y27 L29 Y32 L63 T75 | Y27-Y77 PolarHBondContact O-N 3.43Å; L29-Y77 HydrophobicContact CB-CD1 4.39Å; L29-Y77 HydrophobicContact CB-CD2 4.25Å; L29-Y77 HydrophobicContact CB-CG 4Å; L29-Y77 HydrophobicContact CD1-CD1 3.79Å; L29-Y77 HydrophobicContact CD1-CD2 4.06Å; L29-Y77 HydrophobicContact CD1-CE1 3.61Å; L29-Y77 HydrophobicContact CD1-CE2 3.89Å; L29-Y77 HydrophobicContact CD1-CG 4.02Å; Y32-Y77 AromaticContact CD1-CD1 3.82Å; Y32-Y77 HydrophobicContact CD1-CD1 3.82Å; Y32-Y77 AromaticContact CD1-CE1 3.61Å; Y32-Y77 HydrophobicContact CD1-CE1 3.61Å; Y32-Y77 HydrophobicContact CE1-CE1 4.01Å; Y32-Y77 HydrophobicContact CG-CD1 4.16Å; Y32-Y77 HydrophobicContact CG-CE1 4.39Å; L63-Y77 HydrophobicContact CD2-CD1 4.46Å; L63-Y77 HydrophobicContact CD2-CE1 3.64Å; L63-Y77 HydrophobicContact CG-CE1 4.15Å; T75-Y77 PolarHBondContact O-N 3.44Å | ||
| 78 | A | 87.3 | Confident | 72.6 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 155.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | P26 Y27 Y32 V61 Y62 L63 | P26-A78 WeakPolarHBondContact CA-O 3.35Å; Y27-A78 PolarHBondContact N-O 3.01Å; Y27-A78 PolarHBondContact O-N 3.34Å; Y27-A78 VanDerWaalsContact O-N 3.16Å; Y32-A78 HydrophobicContact CD2-CB 3.66Å; Y32-A78 HydrophobicContact CE2-CB 4.17Å; Y32-A78 HydrophobicContact CG-CB 3.92Å; V61-A78 HydrophobicContact CG1-CB 3.96Å; Y62-A78 CarbonylContact O-C 3.5Å; Y62-A78 WeakPolarHBondContact O-CA 3.05Å; L63-A78 HydrophobicContact CD1-CB 3.7Å; L63-A78 HydrophobicContact CG-CB 4.01Å |
| 79 | Y | 89.3 | Confident | 74.6 | Confident | 14 Ų | 14 | 68.3 Ų | 68.3 | 6% | 0.055 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 117 | 170.7 | -69.6 | -80.7 | 0 | 0 | 0 | 109.3 | V24 I25 P26 V61 Y62 P64 V76 R118 L121 | V24-Y79 HydrophobicContact CG1-CD1 3.65Å; V24-Y79 HydrophobicContact CG1-CE1 4.49Å; V24-Y79 HydrophobicContact CG1-CG 4.28Å; I25-Y79 WeakPolarHBondContact O-CA 3.37Å; P26-Y79 HydrophobicContact CB-CD1 3.91Å; P26-Y79 HydrophobicContact CB-CE1 3.74Å; V61-Y79 WeakPolarHBondContact CA-O 3.4Å; Y62-Y79 HydrophobicContact CD1-CD2 4.3Å; Y62-Y79 PolarHBondContact N-O 3.27Å; Y62-Y79 PolarHBondContact O-N 3.21Å; P64-Y79 HydrophobicContact CG-CD2 4.28Å; P64-Y79 HydrophobicContact CG-CE2 4.15Å; V76-Y79 HydrophobicContact CG1-CD1 4.32Å; V76-Y79 HydrophobicContact CG1-CD2 4.34Å; V76-Y79 HydrophobicContact CG1-CE1 3.92Å; V76-Y79 HydrophobicContact CG1-CE2 3.94Å; Y79-R118 HydrophobicContact CE1-CB 3.98Å; Y79-L121 HydrophobicContact CD1-CD1 3.86Å; Y79-L121 HydrophobicContact CD2-CD1 3.47Å; Y79-L121 VanDerWaalsContact CD2-CD1 3.47Å; Y79-L121 HydrophobicContact CE1-CD1 4.15Å; Y79-L121 HydrophobicContact CE2-CD1 3.8Å; Y79-L121 HydrophobicContact CG-CD1 3.49Å; Y79-L121 VanDerWaalsContact CG-CD1 3.49Å |
| 80 | S | 90.8 | Very high | 76.5 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 127.9 | 159.3 | 158.6 | 0 | 0 | 0 | 0 | 108 | V24 I25 D59 R83 | V24-S80 CarbonylContact C-O 3.47Å; V24-S80 WeakPolarHBondContact CA-O 3.39Å; V24-S80 WeakPolarHBondContact CG1-O 3.34Å; I25-S80 PolarHBondContact N-O 2.86Å; I25-S80 PolarHBondContact O-N 3.35Å; D59-S80 WeakPolarHBondContact OD1-CB 3.4Å; D59-S80 PolarHBondContact OD1-OG 3.14Å; D59-S80 PolarHBondContact OD2-OG 3.25Å; S80-R83 PolarHBondContact OG-NH2 3.43Å |
| 81 | L | 87.4 | Confident | 78.2 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | -57.7 | -166.5 | -68 | -176 | 0 | 0 | 0 | 112.6 | V24 M60 Y62 L102 L121 N125 | V24-L81 HydrophobicContact CG1-CD2 4.36Å; V24-L81 HydrophobicContact CG2-CD2 4.24Å; M60-L81 HydrophobicContact CB-CB 4.43Å; M60-L81 HydrophobicContact CE-CD1 3.91Å; M60-L81 HydrophobicContact CG-CB 4.22Å; M60-L81 HydrophobicContact CG-CD1 4.1Å; M60-L81 WeakPolarHBondContact O-CB 3.32Å; M60-L81 PolarHBondContact O-N 3.11Å; M60-L81 HydrophobicContact SD-CD1 4.07Å; Y62-L81 HydrophobicContact CD1-CD2 4.49Å; Y62-L81 HydrophobicContact CG-CD1 4.37Å; L81-L102 HydrophobicContact CD1-CD2 3.46Å; L81-L102 VanDerWaalsContact CD1-CD2 3.46Å; L81-L121 HydrophobicContact CD2-CB 4.01Å; L81-L121 HydrophobicContact CD2-CD1 3.99Å; L81-L121 HydrophobicContact CD2-CD2 3.94Å; L81-L121 HydrophobicContact CD2-CG 4.19Å; L81-N125 WeakPolarHBondContact CB-ND2 3.29Å; L81-N125 PolarHBondContact O-ND2 3.14Å |
| 82 | F | 85.5 | Confident | 80.1 | Confident | 11 Ų | 11 | 59.2 Ų | 59.2 | 5% | 0.048 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 156 | 176.8 | 75.7 | -103.1 | 0 | 0 | 0 | 111.7 | P21 M60 F84 V94 F95 H98 | P21-F82 CarbonylContact O-C 3.59Å; P21-F82 VanDerWaalsContact O-CA 3.23Å; P21-F82 WeakPolarHBondContact O-CA 3.42Å; M60-F82 HydrophobicContact CB-CD1 3.93Å; M60-F82 HydrophobicContact CB-CE1 3.7Å; M60-F82 HydrophobicContact CB-CE2 4.44Å; M60-F82 HydrophobicContact CB-CG 4.4Å; M60-F82 HydrophobicContact CB-CZ 3.95Å; M60-F82 HydrophobicContact CG-CD1 4.46Å; M60-F82 HydrophobicContact CG-CE1 4.13Å; M60-F82 PolarHBondContact N-O 3.43Å; M60-F82 HydrophobicContact SD-CD1 3.93Å; M60-F82 HydrophobicContact SD-CE1 3.37Å; M60-F82 WeakPolarHBondContact SD-CE1 3.48Å; M60-F82 HydrophobicContact SD-CZ 4.21Å; F82-F84 HydrophobicContact CD2-CB 4.37Å; F82-F84 HydrophobicContact CE2-CB 4.05Å; F82-V94 HydrophobicContact CE1-CG1 4.18Å; F82-V94 HydrophobicContact CE2-CG1 3.91Å; F82-V94 HydrophobicContact CZ-CB 4.24Å; F82-V94 HydrophobicContact CZ-CG1 3.62Å; F82-F95 HydrophobicContact CZ-CB 4.44Å; F82-H98 AromaticContact CD1-CD2 3.76Å; F82-H98 AromaticContact CD1-CE1 3.92Å; F82-H98 AromaticContact CD1-CG 3.95Å; F82-H98 AromaticContact CD1-NE2 3.75Å; F82-H98 HydrophobicContact CE1-CB 4.04Å; F82-H98 AromaticContact CE1-CD2 3.85Å; F82-H98 AromaticContact CE1-CE1 3.75Å; F82-H98 AromaticContact CE1-CG 3.53Å; F82-H98 AromaticContact CE1-ND1 3.47Å; F82-H98 WeakPolarHBondContact CE1-ND1 3.31Å; F82-H98 AromaticContact CE1-NE2 3.99Å |
| 83 | R | 87.1 | Confident | 82 | Confident | 21 Ų | 21 | 54.1 Ų | 54.1 | 8% | 0.079 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 126.7 | 178.8 | -70.2 | 168.5 | -151.1 | 91.3 | 17.9 | 110.6 | P21 K23 I25 F58 D59 S80 | P21-R83 HydrophobicContact CB-CB 4.32Å; P21-R83 WeakPolarHBondContact CB-O 3.45Å; P21-R83 PolarHBondContact O-N 3.41Å; K23-R83 PolarHBondContact O-NH1 3.27Å; K23-R83 PolarHBondContact O-NH2 3.08Å; I25-R83 VanDerWaalsContact CD1-NH2 3.34Å; F58-R83 CarbonylContact O-C 3.37Å; F58-R83 VanDerWaalsContact O-CA 3.3Å; F58-R83 WeakPolarHBondContact O-CA 3.49Å; D59-R83 HydrophobicContact CB-CG 4.25Å; D59-R83 WeakPolarHBondContact OD2-CD 3.2Å; D59-R83 WeakPolarHBondContact OD2-CG 3.47Å; D59-R83 IonicContact OD2-CZ 3.28Å; D59-R83 IonicContact OD2-NE 2.71Å; D59-R83 PolarHBondContact OD2-NE 2.96Å; D59-R83 IonicContact OD2-NH2 3.18Å; S80-R83 PolarHBondContact OG-NH2 3.43Å |
| 84 | F | 83.7 | Confident | 83.5 | Confident | 49 Ų | 49 | 53.4 Ų | 53.4 | 22% | 0.215 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 138.5 | -176.3 | -174.5 | -96.7 | 0 | 0 | 0 | 111.6 | H57 F58 F82 E87 A90 G91 V94 | H57-F84 WeakPolarHBondContact CA-O 3.32Å; H57-F84 WeakPolarHBondContact CB-O 3.27Å; F58-F84 HydrophobicContact CD2-CD1 4.02Å; F58-F84 PolarHBondContact N-O 2.86Å; F58-F84 PolarHBondContact O-N 2.98Å; F82-F84 HydrophobicContact CD2-CB 4.37Å; F82-F84 HydrophobicContact CE2-CB 4.05Å; F84-E87 WeakPolarHBondContact CE1-O 3.41Å; F84-A90 HydrophobicContact CE1-CB 4.07Å; F84-A90 HydrophobicContact CZ-CB 3.79Å; F84-G91 VanDerWaalsContact CD1-CA 3.5Å; F84-V94 HydrophobicContact CE2-CG2 4.35Å |
| 85 | Q | 83 | Confident | 85.1 | Confident | 137 Ų | 137 | 48.1 Ų | 48.1 | 64% | 0.64 | 26% | 0.263 | S | S | * | . | trans | -126.1 | 122.9 | 174 | -70.5 | 178.2 | -11.8 | 0 | 0 | 107.9 | H57 | H57-Q85 HydrophobicContact CB-CG 3.8Š| ||
| 86 | G | 84.1 | Confident | 86.2 | Confident | 55 Ų | 55 | 47.1 Ų | 47.1 | 57% | 0.567 | 25% | 0.254 | S | S | * | . | S | Bend | trans | 156.4 | -156.9 | -172.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 87 | E | 88 | Confident | 86.9 | Confident | 147 Ų | 147 | 49.5 Ų | 49.5 | 69% | 0.687 | 26% | 0.262 | S | S | * | . | trans | -75 | 149.9 | 175.1 | -64.1 | 177.9 | 160.2 | 0 | 0 | 111.4 | F84 E89 A90 G91 | F84-E87 WeakPolarHBondContact CE1-O 3.41Å; E87-E89 VanDerWaalsContact C-N 3.3Å; E87-E89 PolarHBondContact O-N 3.43Å; E87-A90 PolarHBondContact O-N 3.13Å; E87-G91 PolarHBondContact O-N 3.37Å; E87-G91 VanDerWaalsContact O-N 3.08Å | ||
| 88 | Q | 88.2 | Confident | 87.4 | Confident | 66 Ų | 66 | 45.3 Ų | 45.3 | 31% | 0.308 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -66.2 | -37.7 | -173 | -172.1 | 172.2 | -75.5 | 0 | 0 | 111.4 | L42 F58 G91 V92 | L42-Q88 HydrophobicContact CD1-CG 3.75Å; F58-Q88 HydrophobicContact CE1-CB 4.06Å; F58-Q88 HydrophobicContact CE1-CG 3.73Å; F58-Q88 HydrophobicContact CZ-CB 3.74Å; F58-Q88 HydrophobicContact CZ-CG 3.95Å; Q88-G91 PolarHBondContact O-N 3.12Å; Q88-V92 WeakPolarHBondContact O-CG2 3.46Å; Q88-V92 PolarHBondContact O-N 3.06Å |
| 89 | E | 89.1 | Confident | 87.5 | Confident | 136 Ų | 136 | 45.9 Ų | 45.9 | 64% | 0.636 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -60.9 | -46 | 178.2 | -65 | 68.1 | -155.3 | 0 | 0 | 111 | E87 V92 A93 | E87-E89 VanDerWaalsContact C-N 3.3Å; E87-E89 PolarHBondContact O-N 3.43Å; E89-V92 PolarHBondContact O-N 3.07Å; E89-A93 PolarHBondContact O-N 3.38Å |
| 90 | A | 87.3 | Confident | 87.6 | Confident | 40 Ų | 40 | 50.7 Ų | 50.7 | 33% | 0.331 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.9 | -39.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | F84 E87 A93 V94 | F84-A90 HydrophobicContact CE1-CB 4.07Å; F84-A90 HydrophobicContact CZ-CB 3.79Å; E87-A90 PolarHBondContact O-N 3.13Å; A90-A93 PolarHBondContact O-N 2.86Å; A90-V94 WeakPolarHBondContact O-CG2 3.32Å; A90-V94 PolarHBondContact O-N 3.38Å; A90-V94 VanDerWaalsContact O-N 3.08Å |
| 91 | G | 87 | Confident | 87.7 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.7 | -45.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | F51 F84 E87 Q88 A93 V94 F95 | F51-G91 WeakPolarHBondContact CZ-O 3.43Å; F84-G91 VanDerWaalsContact CD1-CA 3.5Å; E87-G91 PolarHBondContact O-N 3.37Å; E87-G91 VanDerWaalsContact O-N 3.08Å; Q88-G91 PolarHBondContact O-N 3.12Å; G91-A93 PolarHBondContact O-N 3.49Å; G91-V94 PolarHBondContact O-N 2.79Å; G91-F95 WeakPolarHBondContact O-CB 3.09Å; G91-F95 PolarHBondContact O-N 3.34Å |
| 92 | V | 89.2 | Confident | 87.8 | Confident | 32 Ų | 32 | 50.8 Ų | 50.8 | 19% | 0.194 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.3 | -39.5 | 176.4 | 171 | 0 | 0 | 0 | 0 | 111.5 | F51 Q88 E89 F95 L96 | F51-V92 HydrophobicContact CD1-CG2 3.81Å; F51-V92 HydrophobicContact CE1-CG2 3.73Å; Q88-V92 WeakPolarHBondContact O-CG2 3.46Å; Q88-V92 PolarHBondContact O-N 3.06Å; E89-V92 PolarHBondContact O-N 3.07Å; V92-F95 WeakPolarHBondContact O-CB 3.43Å; V92-F95 PolarHBondContact O-N 3.42Å; V92-L96 HydrophobicContact CG1-CD1 4.05Å; V92-L96 HydrophobicContact CG1-CG 4.4Å; V92-L96 WeakPolarHBondContact O-CG 3.41Å; V92-L96 PolarHBondContact O-N 3.05Å |
| 93 | A | 88.3 | Confident | 88.1 | Confident | 58 Ų | 58 | 51.2 Ų | 51.2 | 48% | 0.479 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.7 | -44.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E89 A90 G91 R97 | E89-A93 PolarHBondContact O-N 3.38Å; A90-A93 PolarHBondContact O-N 2.86Å; G91-A93 PolarHBondContact O-N 3.49Å; A93-R97 WeakPolarHBondContact O-CB 3.48Å; A93-R97 PolarHBondContact O-N 2.77Å |
| 94 | V | 85.9 | Confident | 88.4 | Confident | 51 Ų | 51 | 51 Ų | 51 | 31% | 0.309 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.8 | -36.6 | 177 | 179.8 | 0 | 0 | 0 | 0 | 111.6 | F82 F84 A90 G91 R97 H98 | F82-V94 HydrophobicContact CE1-CG1 4.18Å; F82-V94 HydrophobicContact CE2-CG1 3.91Å; F82-V94 HydrophobicContact CZ-CB 4.24Å; F82-V94 HydrophobicContact CZ-CG1 3.62Å; F84-V94 HydrophobicContact CE2-CG2 4.35Å; A90-V94 WeakPolarHBondContact O-CG2 3.32Å; A90-V94 PolarHBondContact O-N 3.38Å; A90-V94 VanDerWaalsContact O-N 3.08Å; G91-V94 PolarHBondContact O-N 2.79Å; V94-R97 PolarHBondContact O-N 3.19Å; V94-H98 PolarHBondContact O-N 3.22Å; V94-H98 VanDerWaalsContact O-N 3.08Å; V94-H98 PolarHBondContact O-ND1 3.5Å |
| 95 | F | 89.2 | Confident | 88.9 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.4 | -51.9 | 174.8 | 170.7 | -102.1 | 0 | 0 | 0 | 112.1 | L43 Y50 F51 M60 F82 G91 V92 R97 H98 I99 | L43-F95 HydrophobicContact CB-CD1 4.45Å; L43-F95 HydrophobicContact CB-CE1 3.94Å; L43-F95 HydrophobicContact CD2-CD1 4.06Å; L43-F95 HydrophobicContact CD2-CE1 3.77Å; L43-F95 HydrophobicContact CG-CE1 4.43Å; Y50-F95 VanDerWaalsContact C-CE2 3.44Å; Y50-F95 WeakPolarHBondContact O-CE2 3.34Å; F51-F95 HydrophobicContact CB-CD1 3.99Å; F51-F95 HydrophobicContact CB-CD2 3.72Å; F51-F95 HydrophobicContact CB-CE1 3.95Å; F51-F95 HydrophobicContact CB-CE2 3.69Å; F51-F95 HydrophobicContact CB-CG 3.87Å; F51-F95 HydrophobicContact CB-CZ 3.78Å; F51-F95 HydrophobicContact CD2-CB 3.75Å; F51-F95 AromaticContact CD2-CD2 3.56Å; F51-F95 HydrophobicContact CD2-CD2 3.56Å; F51-F95 HydrophobicContact CD2-CE2 4.29Å; F51-F95 AromaticContact CD2-CG 3.75Å; F51-F95 HydrophobicContact CD2-CG 3.75Å; F51-F95 HydrophobicContact CE2-CB 3.97Å; F51-F95 HydrophobicContact CE2-CD2 4.48Å; F51-F95 HydrophobicContact CE2-CG 4.47Å; F51-F95 HydrophobicContact CG-CB 4.11Å; F51-F95 HydrophobicContact CG-CD1 4.32Å; F51-F95 AromaticContact CG-CD2 3.93Å; F51-F95 HydrophobicContact CG-CD2 3.93Å; F51-F95 HydrophobicContact CG-CE2 4.39Å; F51-F95 AromaticContact CG-CG 3.88Å; F51-F95 HydrophobicContact CG-CG 3.88Å; M60-F95 HydrophobicContact CB-CD2 3.9Å; M60-F95 HydrophobicContact CB-CE2 4.39Å; M60-F95 HydrophobicContact CE-CD2 4.12Å; M60-F95 HydrophobicContact CE-CE2 4.13Å; M60-F95 HydrophobicContact CG-CD2 3.55Å; M60-F95 HydrophobicContact CG-CE2 3.76Å; M60-F95 HydrophobicContact SD-CD2 3.74Å; M60-F95 HydrophobicContact SD-CE2 4.24Å; F82-F95 HydrophobicContact CZ-CB 4.44Å; G91-F95 WeakPolarHBondContact O-CB 3.09Å; G91-F95 PolarHBondContact O-N 3.34Å; V92-F95 WeakPolarHBondContact O-CB 3.43Å; V92-F95 PolarHBondContact O-N 3.42Å; F95-R97 VanDerWaalsContact C-N 3.31Å; F95-R97 PolarHBondContact O-N 3.03Å; F95-H98 PolarHBondContact O-N 3.1Å; F95-I99 HydrophobicContact CD1-CD1 3.92Å; F95-I99 HydrophobicContact CD2-CD1 4.38Å; F95-I99 HydrophobicContact CE1-CD1 3.44Å; F95-I99 VanDerWaalsContact CE1-CD1 3.44Å; F95-I99 HydrophobicContact CE2-CD1 3.97Å; F95-I99 HydrophobicContact CG-CD1 4.38Å; F95-I99 HydrophobicContact CZ-CD1 3.51Å; F95-I99 WeakPolarHBondContact O-CG1 3.49Å; F95-I99 PolarHBondContact O-N 3.47Å |
| 96 | L | 89.5 | Confident | 89.2 | Confident | 62 Ų | 62 | 42.5 Ų | 42.5 | 33% | 0.325 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -58.9 | -44 | 177.4 | -69.6 | 172.1 | 0 | 0 | 0 | 111.3 | L43 V92 H98 I99 E100 | L43-L96 HydrophobicContact CD2-CD2 3.88Å; L43-L96 HydrophobicContact CD2-CG 4.48Å; V92-L96 HydrophobicContact CG1-CD1 4.05Å; V92-L96 HydrophobicContact CG1-CG 4.4Å; V92-L96 WeakPolarHBondContact O-CG 3.41Å; V92-L96 PolarHBondContact O-N 3.05Å; L96-H98 VanDerWaalsContact C-N 3.34Å; L96-H98 PolarHBondContact O-N 3.42Å; L96-I99 WeakPolarHBondContact O-CB 3.26Å; L96-I99 PolarHBondContact O-N 3.14Å; L96-I99 VanDerWaalsContact O-N 3.09Å; L96-E100 PolarHBondContact O-N 3.25Å; L96-E100 VanDerWaalsContact O-N 3.16Å |
| 97 | R | 86.5 | Confident | 89.4 | Confident | 61 Ų | 61 | 42.7 Ų | 42.7 | 23% | 0.23 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.3 | -36.4 | 178.6 | -175.9 | 65.8 | -165.1 | 93.4 | 16.2 | 113.6 | A93 V94 F95 E100 C132 W134 | A93-R97 WeakPolarHBondContact O-CB 3.48Å; A93-R97 PolarHBondContact O-N 2.77Å; V94-R97 PolarHBondContact O-N 3.19Å; F95-R97 VanDerWaalsContact C-N 3.31Å; F95-R97 PolarHBondContact O-N 3.03Å; R97-E100 VanDerWaalsContact CD-OE2 3.31Å; R97-E100 WeakPolarHBondContact CD-OE2 3.31Å; R97-E100 IonicContact CZ-OE2 3.99Å; R97-E100 IonicContact NE-OE2 3.89Å; R97-E100 IonicContact NH1-OE2 3.78Å; R97-E100 PolarHBondContact NH1-OE2 3.06Å; R97-C132 VanDerWaalsContact CZ-O 3.26Å; R97-C132 PolarHBondContact NE-O 2.91Å; R97-C132 PolarHBondContact NH2-O 3.49Å; R97-W134 PolarHBondContact NH2-O 3.45Å |
| 98 | H | 88.7 | Confident | 89.6 | Confident | 11 Ų | 11 | 35.7 Ų | 35.7 | 5% | 0.051 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -70.4 | -34.2 | 174.4 | -79.3 | 71.9 | 0 | 0 | 0 | 112.3 | M60 F82 V94 F95 L96 E100 V101 L102 C128 | M60-H98 HydrophobicContact CE-CB 4.08Å; M60-H98 HydrophobicContact SD-CB 3.72Å; F82-H98 AromaticContact CD1-CD2 3.76Å; F82-H98 AromaticContact CD1-CE1 3.92Å; F82-H98 AromaticContact CD1-CG 3.95Å; F82-H98 AromaticContact CD1-NE2 3.75Å; F82-H98 HydrophobicContact CE1-CB 4.04Å; F82-H98 AromaticContact CE1-CD2 3.85Å; F82-H98 AromaticContact CE1-CE1 3.75Å; F82-H98 AromaticContact CE1-CG 3.53Å; F82-H98 AromaticContact CE1-ND1 3.47Å; F82-H98 WeakPolarHBondContact CE1-ND1 3.31Å; F82-H98 AromaticContact CE1-NE2 3.99Å; V94-H98 PolarHBondContact O-N 3.22Å; V94-H98 VanDerWaalsContact O-N 3.08Å; V94-H98 PolarHBondContact O-ND1 3.5Å; F95-H98 PolarHBondContact O-N 3.1Å; L96-H98 VanDerWaalsContact C-N 3.34Å; L96-H98 PolarHBondContact O-N 3.42Å; H98-E100 VanDerWaalsContact C-N 3.35Å; H98-V101 PolarHBondContact O-N 3.4Å; H98-L102 WeakPolarHBondContact O-CB 3.4Å; H98-L102 PolarHBondContact O-N 2.83Å; H98-C128 VanDerWaalsContact CD2-CB 3.48Å; H98-C128 WeakPolarHBondContact CD2-CB 3.39Å; H98-C128 WeakPolarHBondContact NE2-CB 3.5Å |
| 99 | I | 90 | Very high | 89.6 | Confident | 12 Ų | 12 | 32.9 Ų | 32.9 | 6% | 0.062 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.5 | -39.7 | 176.6 | -66.2 | 170.5 | 0 | 0 | 0 | 111 | Q45 Y49 M60 F95 L96 V101 L102 D103 | Q45-I99 HydrophobicContact CB-CD1 3.87Å; Q45-I99 HydrophobicContact CG-CD1 4.13Å; Q45-I99 HydrophobicContact CG-CG2 4.42Å; Y49-I99 HydrophobicContact CD1-CG1 4.18Å; Y49-I99 HydrophobicContact CD2-CD1 4.08Å; Y49-I99 HydrophobicContact CD2-CG1 3.98Å; Y49-I99 HydrophobicContact CD2-CG2 3.81Å; Y49-I99 HydrophobicContact CE2-CG2 3.9Å; Y49-I99 HydrophobicContact CG-CD1 3.89Å; Y49-I99 HydrophobicContact CG-CG1 3.77Å; Y49-I99 HydrophobicContact CG-CG2 4.47Å; M60-I99 HydrophobicContact CE-CD1 4.33Å; M60-I99 HydrophobicContact CE-CG1 3.53Å; F95-I99 HydrophobicContact CD1-CD1 3.92Å; F95-I99 HydrophobicContact CD2-CD1 4.38Å; F95-I99 HydrophobicContact CE1-CD1 3.44Å; F95-I99 VanDerWaalsContact CE1-CD1 3.44Å; F95-I99 HydrophobicContact CE2-CD1 3.97Å; F95-I99 HydrophobicContact CG-CD1 4.38Å; F95-I99 HydrophobicContact CZ-CD1 3.51Å; F95-I99 WeakPolarHBondContact O-CG1 3.49Å; F95-I99 PolarHBondContact O-N 3.47Å; L96-I99 WeakPolarHBondContact O-CB 3.26Å; L96-I99 PolarHBondContact O-N 3.14Å; L96-I99 VanDerWaalsContact O-N 3.09Å; I99-V101 PolarHBondContact O-N 3.37Å; I99-V101 VanDerWaalsContact O-N 3.15Å; I99-L102 PolarHBondContact O-N 2.91Å; I99-D103 HydrophobicContact CG2-CB 4.04Å; I99-D103 WeakPolarHBondContact O-CB 3.47Å; I99-D103 PolarHBondContact O-N 3.17Å |
| 100 | E | 90.6 | Very high | 89.4 | Confident | 116 Ų | 116 | 30.5 Ų | 30.5 | 54% | 0.542 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -58.1 | -27.6 | 177.4 | -68.1 | 166.3 | 174.7 | 0 | 0 | 113.6 | L96 R97 H98 P104 | L96-E100 PolarHBondContact O-N 3.25Å; L96-E100 VanDerWaalsContact O-N 3.16Å; R97-E100 VanDerWaalsContact CD-OE2 3.31Å; R97-E100 WeakPolarHBondContact CD-OE2 3.31Å; R97-E100 IonicContact CZ-OE2 3.99Å; R97-E100 IonicContact NE-OE2 3.89Å; R97-E100 IonicContact NH1-OE2 3.78Å; R97-E100 PolarHBondContact NH1-OE2 3.06Å; H98-E100 VanDerWaalsContact C-N 3.35Å; E100-P104 WeakPolarHBondContact O-CD 3.3Å |
| 101 | V | 92.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -90.2 | -44.4 | 174.7 | -174.2 | 0 | 0 | 0 | 0 | 111.7 | H98 I99 L105 I124 W134 A136 V139 | H98-V101 PolarHBondContact O-N 3.4Å; I99-V101 PolarHBondContact O-N 3.37Å; I99-V101 VanDerWaalsContact O-N 3.15Å; V101-L105 HydrophobicContact CG1-CD1 4.41Å; V101-L105 WeakPolarHBondContact O-CG 3.42Å; V101-I124 HydrophobicContact CG1-CG2 4.26Å; V101-W134 WeakPolarHBondContact CG2-O 3.49Å; V101-A136 WeakPolarHBondContact O-CB 3.4Å; V101-V139 HydrophobicContact CG1-CB 4.06Å; V101-V139 HydrophobicContact CG1-CG1 4.47Å; V101-V139 HydrophobicContact CG1-CG2 3.7Å |
| 102 | L | 91.4 | Very high | 89.2 | Confident | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -77.4 | -31.3 | -172.2 | -176.8 | 56.8 | 0 | 0 | 0 | 113.1 | Y49 Y62 L81 H98 I99 L105 H106 I116 L121 I124 | Y49-L102 HydrophobicContact CD1-CD2 4.45Å; Y49-L102 HydrophobicContact CE1-CD2 3.73Å; Y49-L102 HydrophobicContact CE1-CG 3.97Å; Y62-L102 HydrophobicContact CD1-CD2 4.14Å; Y62-L102 HydrophobicContact CD2-CD2 4.43Å; Y62-L102 HydrophobicContact CE1-CD2 4.45Å; Y62-L102 HydrophobicContact CG-CD2 4.11Å; L81-L102 HydrophobicContact CD1-CD2 3.46Å; L81-L102 VanDerWaalsContact CD1-CD2 3.46Å; H98-L102 WeakPolarHBondContact O-CB 3.4Å; H98-L102 PolarHBondContact O-N 2.83Å; I99-L102 PolarHBondContact O-N 2.91Å; L102-L105 PolarHBondContact O-N 3.27Å; L102-H106 VanDerWaalsContact O-CB 3.3Å; L102-H106 WeakPolarHBondContact O-CB 3.46Å; L102-H106 PolarHBondContact O-N 3.37Å; L102-I116 HydrophobicContact CD1-CD1 3.69Å; L102-L121 HydrophobicContact CD1-CD2 3.68Å; L102-L121 HydrophobicContact CD2-CD2 4.16Å; L102-I124 HydrophobicContact CD1-CD1 4.08Å |
| 103 | D | 91.4 | Very high | 89 | Confident | 19 Ų | 19 | 42.8 Ų | 42.8 | 10% | 0.102 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.9 | -46.1 | -176.9 | 178.4 | 88.3 | 0 | 0 | 0 | 114.1 | K46 Y49 I99 L105 H106 L107 | K46-D103 VanDerWaalsContact CD-OD1 3.31Å; K46-D103 WeakPolarHBondContact CD-OD1 3.3Å; K46-D103 WeakPolarHBondContact CE-OD1 3.43Å; K46-D103 IonicContact NZ-OD1 2.67Å; K46-D103 PolarHBondContact NZ-OD1 3.12Å; K46-D103 IonicContact NZ-OD2 3.95Å; K46-D103 PolarHBondContact NZ-OD2 3.38Å; Y49-D103 HydrophobicContact CE2-CB 4.06Å; Y49-D103 WeakPolarHBondContact OH-CA 3.38Å; I99-D103 HydrophobicContact CG2-CB 4.04Å; I99-D103 WeakPolarHBondContact O-CB 3.47Å; I99-D103 PolarHBondContact O-N 3.17Å; D103-L105 VanDerWaalsContact C-N 3.29Å; D103-L105 PolarHBondContact O-N 3.48Å; D103-H106 PolarHBondContact O-N 2.78Å; D103-L107 WeakPolarHBondContact O-CB 3.31Å; D103-L107 VanDerWaalsContact O-CG 3.28Å; D103-L107 WeakPolarHBondContact O-CG 3.45Å; D103-L107 PolarHBondContact O-N 3.3Å |
| 104 | P | 93.6 | Very high | 88.8 | Confident | 16 Ų | 16 | 42.3 Ų | 42.3 | 10% | 0.104 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.9 | -35.3 | 173.7 | -21.8 | 33.1 | 0 | 0 | 0 | 113.2 | E100 A108 A136 S153 V154 L157 | E100-P104 WeakPolarHBondContact O-CD 3.3Å; P104-A108 WeakPolarHBondContact O-CB 3.3Å; P104-A108 PolarHBondContact O-N 2.88Å; P104-A136 HydrophobicContact CB-CB 3.64Å; P104-A136 HydrophobicContact CG-CB 3.88Å; P104-S153 WeakPolarHBondContact O-CB 3.36Å; P104-S153 PolarHBondContact O-OG 2.71Å; P104-V154 HydrophobicContact CB-CG2 4.23Å; P104-L157 HydrophobicContact CB-CD1 3.87Å; P104-L157 HydrophobicContact CG-CD1 3.76Å |
| 105 | L | 93.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -68.4 | -46.6 | 176 | -64.9 | 175.7 | 0 | 0 | 0 | 111.5 | V101 L102 D103 L107 A108 C109 I124 A136 V139 A140 V148 V154 | V101-L105 HydrophobicContact CG1-CD1 4.41Å; V101-L105 WeakPolarHBondContact O-CG 3.42Å; L102-L105 PolarHBondContact O-N 3.27Å; D103-L105 VanDerWaalsContact C-N 3.29Å; D103-L105 PolarHBondContact O-N 3.48Å; L105-L107 VanDerWaalsContact C-N 3.35Å; L105-L107 PolarHBondContact O-N 3.2Å; L105-A108 WeakPolarHBondContact O-CB 3.41Å; L105-A108 PolarHBondContact O-N 3.22Å; L105-A108 VanDerWaalsContact O-N 3.15Å; L105-C109 PolarHBondContact O-N 3.37Å; L105-C109 PolarHBondContact O-SG 2.97Å; L105-I124 HydrophobicContact CD1-CD1 3.75Å; L105-I124 HydrophobicContact CD1-CG1 4Å; L105-A136 HydrophobicContact CD2-CB 4.21Å; L105-A136 HydrophobicContact CG-CB 3.96Å; L105-V139 HydrophobicContact CD1-CG1 4.43Å; L105-A140 HydrophobicContact CD2-CB 4.19Å; L105-V148 HydrophobicContact CD2-CG2 4.09Å; L105-V154 HydrophobicContact CD2-CG2 4.1Å |
| 106 | H | 89.3 | Confident | 88.2 | Confident | 8 Ų | 8 | 43.5 Ų | 43.5 | 4% | 0.037 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.4 | -44.4 | 175.5 | 164.2 | 55.6 | 0 | 0 | 0 | 111.8 | I48 Y62 P64 L102 D103 A108 C109 M110 | I48-H106 WeakPolarHBondContact CD1-CD2 3.49Å; I48-H106 VanDerWaalsContact CD1-NE2 3.29Å; I48-H106 WeakPolarHBondContact CD1-NE2 3.2Å; Y62-H106 HydrophobicContact CE2-CB 4.43Å; Y62-H106 AromaticContact CZ-ND1 3.94Å; Y62-H106 WeakPolarHBondContact OH-CB 3.21Å; Y62-H106 VanDerWaalsContact OH-CG 3.28Å; Y62-H106 PolarHBondContact OH-ND1 2.86Å; P64-H106 PolarHBondContact O-CE1 2.96Å; P64-H106 VanDerWaalsContact O-CE1 3.23Å; L102-H106 VanDerWaalsContact O-CB 3.3Å; L102-H106 WeakPolarHBondContact O-CB 3.46Å; L102-H106 PolarHBondContact O-N 3.37Å; D103-H106 PolarHBondContact O-N 2.78Å; H106-A108 VanDerWaalsContact C-N 3.32Å; H106-A108 PolarHBondContact O-N 3.23Å; H106-C109 WeakPolarHBondContact O-CB 3.25Å; H106-C109 PolarHBondContact O-N 3.21Å; H106-M110 VanDerWaalsContact CE1-CG 3.48Å; H106-M110 WeakPolarHBondContact CE1-CG 3.37Å; H106-M110 PolarHBondContact CE1-SD 3.39Å; H106-M110 WeakPolarHBondContact O-CG 3.41Å; H106-M110 PolarHBondContact O-N 3.38Å |
| 107 | L | 89.6 | Confident | 87.9 | Confident | 60 Ų | 60 | 43 Ų | 43 | 31% | 0.314 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.6 | -38.7 | 175.1 | -70.9 | 170.4 | 0 | 0 | 0 | 111.7 | D103 L105 M110 N111 | D103-L107 WeakPolarHBondContact O-CB 3.31Å; D103-L107 VanDerWaalsContact O-CG 3.28Å; D103-L107 WeakPolarHBondContact O-CG 3.45Å; D103-L107 PolarHBondContact O-N 3.3Å; L105-L107 VanDerWaalsContact C-N 3.35Å; L105-L107 PolarHBondContact O-N 3.2Å; L107-M110 PolarHBondContact O-N 3.01Å; L107-N111 VanDerWaalsContact O-CB 3.26Å; L107-N111 WeakPolarHBondContact O-CB 3.49Å; L107-N111 PolarHBondContact O-N 3.11Å; L107-N111 PolarHBondContact O-ND2 2.78Å; L107-N111 VanDerWaalsContact O-ND2 3.08Å |
| 108 | A | 90.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.9 | -44.6 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | P104 L105 H106 M110 N111 M112 V148 S151 S153 V154 | P104-A108 WeakPolarHBondContact O-CB 3.3Å; P104-A108 PolarHBondContact O-N 2.88Å; L105-A108 WeakPolarHBondContact O-CB 3.41Å; L105-A108 PolarHBondContact O-N 3.22Å; L105-A108 VanDerWaalsContact O-N 3.15Å; H106-A108 VanDerWaalsContact C-N 3.32Å; H106-A108 PolarHBondContact O-N 3.23Å; A108-M110 PolarHBondContact O-N 2.86Å; A108-N111 PolarHBondContact O-N 2.95Å; A108-M112 VanDerWaalsContact O-CB 3.28Å; A108-M112 WeakPolarHBondContact O-CB 3.43Å; A108-M112 WeakPolarHBondContact O-CG 3.47Å; A108-M112 PolarHBondContact O-N 3.06Å; A108-V148 HydrophobicContact CB-CB 3.77Å; A108-V148 HydrophobicContact CB-CG1 3.81Å; A108-S151 WeakPolarHBondContact CA-OG 3.4Å; A108-S151 VanDerWaalsContact CB-CB 3.45Å; A108-S153 PolarHBondContact N-OG 3.39Å; A108-V154 HydrophobicContact CB-CG2 3.98Å |
| 109 | C | 89.3 | Confident | 87.7 | Confident | 6 Ų | 6 | 46 Ų | 46 | 4% | 0.041 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.2 | -47.4 | 175.7 | -70.4 | 0 | 0 | 0 | 0 | 112.8 | L105 H106 N113 L114 W145 | L105-C109 PolarHBondContact O-N 3.37Å; L105-C109 PolarHBondContact O-SG 2.97Å; H106-C109 WeakPolarHBondContact O-CB 3.25Å; H106-C109 PolarHBondContact O-N 3.21Å; C109-N113 CarbonylContact O-C 3.6Å; C109-N113 WeakPolarHBondContact O-CA 3.11Å; C109-N113 PolarHBondContact O-N 3.12Å; C109-L114 HydrophobicContact CB-CB 4.5Å; C109-L114 VanDerWaalsContact CB-O 3.3Å; C109-L114 WeakPolarHBondContact CB-O 3.47Å; C109-L114 PolarHBondContact O-N 2.74Å; C109-W145 WeakPolarHBondContact SG-CH2 3.17Å; C109-W145 VanDerWaalsContact SG-CZ2 3.58Å |
| 110 | M | 84.6 | Confident | 87.6 | Confident | 87 Ų | 87 | 47.8 Ų | 47.8 | 43% | 0.429 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -65.3 | -47.3 | 177.1 | -62.9 | -150.7 | 95.1 | 0 | 0 | 112.1 | H106 L107 A108 M112 N113 | H106-M110 VanDerWaalsContact CE1-CG 3.48Å; H106-M110 WeakPolarHBondContact CE1-CG 3.37Å; H106-M110 PolarHBondContact CE1-SD 3.39Å; H106-M110 WeakPolarHBondContact O-CG 3.41Å; H106-M110 PolarHBondContact O-N 3.38Å; L107-M110 PolarHBondContact O-N 3.01Å; A108-M110 PolarHBondContact O-N 2.86Å; M110-M112 VanDerWaalsContact C-N 3.28Å; M110-M112 PolarHBondContact O-N 2.65Å; M110-N113 PolarHBondContact O-N 2.79Å |
| 111 | N | 84.9 | Confident | 87.6 | Confident | 115 Ų | 115 | 42.2 Ų | 42.2 | 62% | 0.615 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -65.4 | -29.7 | -177.3 | -71.2 | -26.1 | 0 | 0 | 0 | 113.2 | L107 A108 | L107-N111 VanDerWaalsContact O-CB 3.26Å; L107-N111 WeakPolarHBondContact O-CB 3.49Å; L107-N111 PolarHBondContact O-N 3.11Å; L107-N111 PolarHBondContact O-ND2 2.78Å; L107-N111 VanDerWaalsContact O-ND2 3.08Å; A108-N111 PolarHBondContact O-N 2.95Å |
| 112 | M | 85.6 | Confident | 87.4 | Confident | 60 Ų | 60 | 45 Ų | 45 | 30% | 0.296 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -106.1 | 3.2 | -177.1 | -61 | -174.3 | 63.7 | 0 | 0 | 113.8 | A108 M110 L114 E147 L150 | A108-M112 VanDerWaalsContact O-CB 3.28Å; A108-M112 WeakPolarHBondContact O-CB 3.43Å; A108-M112 WeakPolarHBondContact O-CG 3.47Å; A108-M112 PolarHBondContact O-N 3.06Å; M110-M112 VanDerWaalsContact C-N 3.28Å; M110-M112 PolarHBondContact O-N 2.65Å; M112-L114 VanDerWaalsContact C-N 3.29Å; M112-L114 HydrophobicContact CB-CD1 3.91Å; M112-L114 HydrophobicContact CB-CG 3.84Å; M112-L114 HydrophobicContact CE-CD1 4.48Å; M112-L114 PolarHBondContact O-N 3.19Å; M112-L114 HydrophobicContact SD-CD1 4.36Å; M112-E147 HydrophobicContact CE-CB 4.37Å; M112-E147 VanDerWaalsContact CE-O 3.22Å; M112-E147 WeakPolarHBondContact CE-O 3.37Å; M112-E147 VanDerWaalsContact SD-O 3.33Å; M112-L150 HydrophobicContact CE-CB 3.9Å; M112-L150 HydrophobicContact CE-CD1 4.17Å; M112-L150 HydrophobicContact SD-CB 4.16Å |
| 113 | N | 83.7 | Confident | 87.3 | Confident | 154 Ų | 154 | 50.2 Ų | 50.2 | 82% | 0.824 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 40.9 | -175.3 | -163.5 | 49.6 | 0 | 0 | 0 | 113.6 | C109 M110 | C109-N113 CarbonylContact O-C 3.6Å; C109-N113 WeakPolarHBondContact O-CA 3.11Å; C109-N113 PolarHBondContact O-N 3.12Å; M110-N113 PolarHBondContact O-N 2.79Å |
| 114 | L | 83.5 | Confident | 87.3 | Confident | 48 Ų | 48 | 49.3 Ų | 49.3 | 25% | 0.251 | 26% | 0.255 | S | S | . | . | trans | -96.1 | 137.8 | 176 | -54.7 | 169.7 | 0 | 0 | 0 | 109.9 | C109 M112 E147 V148 | C109-L114 HydrophobicContact CB-CB 4.5Å; C109-L114 VanDerWaalsContact CB-O 3.3Å; C109-L114 WeakPolarHBondContact CB-O 3.47Å; C109-L114 PolarHBondContact O-N 2.74Å; M112-L114 VanDerWaalsContact C-N 3.29Å; M112-L114 HydrophobicContact CB-CD1 3.91Å; M112-L114 HydrophobicContact CB-CG 3.84Å; M112-L114 HydrophobicContact CE-CD1 4.48Å; M112-L114 PolarHBondContact O-N 3.19Å; M112-L114 HydrophobicContact SD-CD1 4.36Å; L114-E147 HydrophobicContact CD1-CB 3.95Å; L114-V148 HydrophobicContact CD1-CG1 3.87Å | ||
| 115 | S | 79.7 | Confident | 87 | Confident | 63 Ų | 63 | 48.8 Ų | 48.8 | 44% | 0.441 | 25% | 0.251 | S | S | . | . | trans | -82.4 | 117.5 | 178.8 | 56.1 | 0 | 0 | 0 | 0 | 112.4 | D117 | S115-D117 PolarHBondContact O-N 2.93Š| ||
| 116 | I | 84.1 | Confident | 86.8 | Confident | 13 Ų | 13 | 50.6 Ų | 50.6 | 7% | 0.067 | 27% | 0.266 | C | S | . | . | trans | -86.9 | 103.5 | 168.1 | -170.7 | 165.5 | 0 | 0 | 0 | 110.1 | Y62 P64 L102 H120 L121 I124 W145 | Y62-I116 HydrophobicContact CE1-CD1 4.47Å; Y62-I116 HydrophobicContact CE1-CG2 4.29Å; P64-I116 HydrophobicContact CB-CG2 4.31Å; L102-I116 HydrophobicContact CD1-CD1 3.69Å; I116-H120 HydrophobicContact CG1-CB 4.27Å; I116-L121 HydrophobicContact CD1-CD2 3.73Å; I116-L121 HydrophobicContact CD1-CG 4.4Å; I116-L121 HydrophobicContact CG1-CD2 3.98Å; I116-L121 HydrophobicContact CG1-CG 4.09Å; I116-I124 HydrophobicContact CD1-CD1 4.14Å; I116-W145 HydrophobicContact CB-CH2 4.44Å; I116-W145 HydrophobicContact CD1-CH2 4.49Å; I116-W145 HydrophobicContact CG1-CH2 4.31Å | ||
| 117 | D | 82.8 | Confident | 86.8 | Confident | 52 Ų | 52 | 53.3 Ų | 53.3 | 28% | 0.278 | 28% | 0.277 | S | S | . | . | trans | -95.6 | 173.2 | -178.5 | 78.7 | 22.5 | 0 | 0 | 0 | 113.5 | S115 T119 H120 L121 | S115-D117 PolarHBondContact O-N 2.93Å; D117-T119 PolarHBondContact O-N 2.96Å; D117-T119 WeakPolarHBondContact OD1-CA 3.47Å; D117-T119 WeakPolarHBondContact OD1-CB 3.16Å; D117-T119 PolarHBondContact OD1-N 3.29Å; D117-T119 PolarHBondContact OD1-OG1 2.75Å; D117-H120 PolarHBondContact O-N 3.47Å; D117-H120 IonicContact OD1-CE1 2.66Å; D117-H120 IonicContact OD1-CG 2.68Å; D117-H120 PolarHBondContact OD1-N 2.9Å; D117-H120 IonicContact OD1-ND1 3.87Å; D117-H120 PolarHBondContact OD1-ND1 2.9Å; D117-H120 IonicContact OD2-CE1 3.83Å; D117-H120 IonicContact OD2-ND1 2.59Å; D117-L121 WeakPolarHBondContact O-CG 3.41Å; D117-L121 PolarHBondContact O-N 3.09Å; D117-L121 VanDerWaalsContact O-N 3.08Å | ||
| 118 | R | 85.4 | Confident | 86.6 | Confident | 64 Ų | 64 | 50.8 Ų | 50.8 | 24% | 0.242 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -46.6 | -43.8 | 173.9 | -175.1 | -154.7 | 168.3 | 95 | 19.2 | 113.4 | V24 Y79 L121 E122 | V24-R118 HydrophobicContact CB-CG 4.34Å; V24-R118 HydrophobicContact CG1-CG 4.15Å; V24-R118 PolarHBondContact O-NH1 3.27Å; V24-R118 PolarHBondContact O-NH2 3.08Å; Y79-R118 HydrophobicContact CE1-CB 3.98Å; R118-L121 PolarHBondContact O-N 2.7Å; R118-E122 IonicContact CZ-OE1 2.8Å; R118-E122 VanDerWaalsContact CZ-OE1 3.31Å; R118-E122 IonicContact CZ-OE2 3.17Å; R118-E122 IonicContact NE-OE1 3.54Å; R118-E122 PolarHBondContact NE-OE1 3.12Å; R118-E122 IonicContact NE-OE2 3.78Å; R118-E122 PolarHBondContact NE-OE2 2.96Å; R118-E122 VanDerWaalsContact NE-OE2 3.07Å; R118-E122 IonicContact NH2-OE1 3.81Å; R118-E122 PolarHBondContact NH2-OE1 3.05Å; R118-E122 IonicContact NH2-OE2 3.74Å; R118-E122 WeakPolarHBondContact O-CG 3.4Å; R118-E122 PolarHBondContact O-N 3.27Å |
| 119 | T | 85.5 | Confident | 86.1 | Confident | 72 Ų | 72 | 57.8 Ų | 57.8 | 44% | 0.442 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -75 | -32.5 | -173 | 75.2 | 0 | 0 | 0 | 0 | 112 | D117 K123 | D117-T119 PolarHBondContact O-N 2.96Å; D117-T119 WeakPolarHBondContact OD1-CA 3.47Å; D117-T119 WeakPolarHBondContact OD1-CB 3.16Å; D117-T119 PolarHBondContact OD1-N 3.29Å; D117-T119 PolarHBondContact OD1-OG1 2.75Å; T119-K123 WeakPolarHBondContact O-CG 3.38Å; T119-K123 PolarHBondContact O-N 3.17Å |
| 120 | H | 88.8 | Confident | 85.9 | Confident | 48 Ų | 48 | 63 Ų | 63 | 22% | 0.222 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.1 | -47.2 | 169.2 | -65.6 | 73.7 | 0 | 0 | 0 | 109.8 | I116 D117 E122 K123 I124 M143 W145 | I116-H120 HydrophobicContact CG1-CB 4.27Å; D117-H120 PolarHBondContact O-N 3.47Å; D117-H120 IonicContact OD1-CE1 2.66Å; D117-H120 IonicContact OD1-CG 2.68Å; D117-H120 PolarHBondContact OD1-N 2.9Å; D117-H120 IonicContact OD1-ND1 3.87Å; D117-H120 PolarHBondContact OD1-ND1 2.9Å; D117-H120 IonicContact OD2-CE1 3.83Å; D117-H120 IonicContact OD2-ND1 2.59Å; H120-E122 PolarHBondContact O-N 3.2Å; H120-K123 PolarHBondContact O-N 2.9Å; H120-I124 WeakPolarHBondContact O-CD1 3.37Å; H120-I124 VanDerWaalsContact O-CG1 3.24Å; H120-I124 WeakPolarHBondContact O-CG1 3.41Å; H120-I124 PolarHBondContact O-N 3.41Å; H120-M143 HydrophobicContact CB-CE 4.07Å; H120-W145 HydrophobicContact CB-CH2 4.49Å; H120-W145 HydrophobicContact CB-CZ3 4.41Å; H120-W145 AromaticContact CD2-CH2 3.75Å; H120-W145 AromaticContact CD2-CZ2 3.94Å; H120-W145 AromaticContact CD2-CZ3 3.8Å |
| 121 | L | 88.9 | Confident | 85.8 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63 | -40.2 | 178.2 | -65.6 | 168.9 | 0 | 0 | 0 | 112.9 | V24 Y62 Y79 L81 L102 I116 D117 R118 K123 I124 N125 | V24-L121 HydrophobicContact CG1-CB 4.33Å; V24-L121 HydrophobicContact CG2-CB 4Å; Y62-L121 HydrophobicContact CD1-CD1 4.07Å; Y62-L121 HydrophobicContact CD1-CD2 3.97Å; Y62-L121 HydrophobicContact CE1-CD1 4.22Å; Y62-L121 HydrophobicContact CE1-CD2 3.92Å; Y79-L121 HydrophobicContact CD1-CD1 3.86Å; Y79-L121 HydrophobicContact CD2-CD1 3.47Å; Y79-L121 VanDerWaalsContact CD2-CD1 3.47Å; Y79-L121 HydrophobicContact CE1-CD1 4.15Å; Y79-L121 HydrophobicContact CE2-CD1 3.8Å; Y79-L121 HydrophobicContact CG-CD1 3.49Å; Y79-L121 VanDerWaalsContact CG-CD1 3.49Å; L81-L121 HydrophobicContact CD2-CB 4.01Å; L81-L121 HydrophobicContact CD2-CD1 3.99Å; L81-L121 HydrophobicContact CD2-CD2 3.94Å; L81-L121 HydrophobicContact CD2-CG 4.19Å; L102-L121 HydrophobicContact CD1-CD2 3.68Å; L102-L121 HydrophobicContact CD2-CD2 4.16Å; I116-L121 HydrophobicContact CD1-CD2 3.73Å; I116-L121 HydrophobicContact CD1-CG 4.4Å; I116-L121 HydrophobicContact CG1-CD2 3.98Å; I116-L121 HydrophobicContact CG1-CG 4.09Å; D117-L121 WeakPolarHBondContact O-CG 3.41Å; D117-L121 PolarHBondContact O-N 3.09Å; D117-L121 VanDerWaalsContact O-N 3.08Å; R118-L121 PolarHBondContact O-N 2.7Å; L121-K123 VanDerWaalsContact C-N 3.32Å; L121-K123 PolarHBondContact O-N 3.24Å; L121-I124 PolarHBondContact O-N 3.25Å; L121-N125 WeakPolarHBondContact O-CB 3.45Å; L121-N125 PolarHBondContact O-N 2.93Å; L121-N125 PolarHBondContact O-ND2 2.78Å |
| 122 | E | 89.6 | Confident | 85.5 | Confident | 59 Ų | 59 | 60.5 Ų | 60.5 | 28% | 0.276 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.5 | -36.3 | 175.5 | -74.7 | 179.4 | 144.9 | 0 | 0 | 111.9 | V24 R118 H120 A126 | V24-E122 HydrophobicContact CB-CG 3.58Å; V24-E122 HydrophobicContact CG2-CB 4.33Å; V24-E122 HydrophobicContact CG2-CG 3.43Å; V24-E122 VanDerWaalsContact CG2-CG 3.43Å; V24-E122 PolarHBondContact N-OE1 3.04Å; R118-E122 IonicContact CZ-OE1 2.8Å; R118-E122 VanDerWaalsContact CZ-OE1 3.31Å; R118-E122 IonicContact CZ-OE2 3.17Å; R118-E122 IonicContact NE-OE1 3.54Å; R118-E122 PolarHBondContact NE-OE1 3.12Å; R118-E122 IonicContact NE-OE2 3.78Å; R118-E122 PolarHBondContact NE-OE2 2.96Å; R118-E122 VanDerWaalsContact NE-OE2 3.07Å; R118-E122 IonicContact NH2-OE1 3.81Å; R118-E122 PolarHBondContact NH2-OE1 3.05Å; R118-E122 IonicContact NH2-OE2 3.74Å; R118-E122 WeakPolarHBondContact O-CG 3.4Å; R118-E122 PolarHBondContact O-N 3.27Å; H120-E122 PolarHBondContact O-N 3.2Å; E122-A126 WeakPolarHBondContact O-CB 3.39Å; E122-A126 PolarHBondContact O-N 3.31Å |
| 123 | K | 89.5 | Confident | 85.5 | Confident | 111 Ų | 111 | 58.6 Ų | 58.6 | 48% | 0.483 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -70.4 | -47.1 | 172.4 | -71.9 | 177 | 178.6 | -176.5 | 0 | 112.5 | T119 H120 L121 N125 A126 Y127 M143 | T119-K123 WeakPolarHBondContact O-CG 3.38Å; T119-K123 PolarHBondContact O-N 3.17Å; H120-K123 PolarHBondContact O-N 2.9Å; L121-K123 VanDerWaalsContact C-N 3.32Å; L121-K123 PolarHBondContact O-N 3.24Å; K123-N125 VanDerWaalsContact C-N 3.33Å; K123-N125 PolarHBondContact O-N 3.26Å; K123-A126 WeakPolarHBondContact O-CB 3.36Å; K123-A126 PolarHBondContact O-N 3.13Å; K123-A126 VanDerWaalsContact O-N 3.13Å; K123-Y127 VanDerWaalsContact O-CD2 3.22Å; K123-Y127 WeakPolarHBondContact O-CD2 3.47Å; K123-Y127 PolarHBondContact O-N 3.45Å; K123-M143 HydrophobicContact CB-CE 4.01Å; K123-M143 HydrophobicContact CB-CG 4.29Å; K123-M143 HydrophobicContact CB-SD 3.82Å; K123-M143 HydrophobicContact CD-CE 4.15Å; K123-M143 HydrophobicContact CD-CG 4.33Å |
| 124 | I | 90.5 | Very high | 85.9 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.1 | -47.8 | 179.7 | -68.1 | 161 | 0 | 0 | 0 | 110 | V101 L102 L105 I116 H120 L121 A126 Y127 C128 V139 M143 W145 | V101-I124 HydrophobicContact CG1-CG2 4.26Å; L102-I124 HydrophobicContact CD1-CD1 4.08Å; L105-I124 HydrophobicContact CD1-CD1 3.75Å; L105-I124 HydrophobicContact CD1-CG1 4Å; I116-I124 HydrophobicContact CD1-CD1 4.14Å; H120-I124 WeakPolarHBondContact O-CD1 3.37Å; H120-I124 VanDerWaalsContact O-CG1 3.24Å; H120-I124 WeakPolarHBondContact O-CG1 3.41Å; H120-I124 PolarHBondContact O-N 3.41Å; L121-I124 PolarHBondContact O-N 3.25Å; I124-A126 VanDerWaalsContact C-N 3.32Å; I124-A126 PolarHBondContact O-N 2.93Å; I124-Y127 PolarHBondContact O-N 2.91Å; I124-C128 WeakPolarHBondContact O-CB 3.42Å; I124-C128 PolarHBondContact O-N 3.19Å; I124-C128 PolarHBondContact O-SG 3.12Å; I124-V139 HydrophobicContact CB-CG1 4.41Å; I124-V139 HydrophobicContact CG1-CG1 3.96Å; I124-V139 HydrophobicContact CG2-CG1 4.49Å; I124-M143 HydrophobicContact CG1-CE 4.13Å; I124-M143 HydrophobicContact CG1-SD 3.68Å; I124-W145 HydrophobicContact CD1-CZ3 4.39Å |
| 125 | N | 87.8 | Confident | 86.4 | Confident | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64 | -36.3 | 178.6 | -65.8 | -12.1 | 0 | 0 | 0 | 112.3 | L81 L121 K123 R129 | L81-N125 WeakPolarHBondContact CB-ND2 3.29Å; L81-N125 PolarHBondContact O-ND2 3.14Å; L121-N125 WeakPolarHBondContact O-CB 3.45Å; L121-N125 PolarHBondContact O-N 2.93Å; L121-N125 PolarHBondContact O-ND2 2.78Å; K123-N125 VanDerWaalsContact C-N 3.33Å; K123-N125 PolarHBondContact O-N 3.26Å; N125-R129 VanDerWaalsContact O-CB 3.29Å; N125-R129 WeakPolarHBondContact O-CB 3.45Å; N125-R129 PolarHBondContact O-N 2.86Å |
| 126 | A | 87.9 | Confident | 87.1 | Confident | 38 Ų | 38 | 47 Ų | 47 | 31% | 0.314 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.1 | -42.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | E122 K123 I124 N130 | E122-A126 WeakPolarHBondContact O-CB 3.39Å; E122-A126 PolarHBondContact O-N 3.31Å; K123-A126 WeakPolarHBondContact O-CB 3.36Å; K123-A126 PolarHBondContact O-N 3.13Å; K123-A126 VanDerWaalsContact O-N 3.13Å; I124-A126 VanDerWaalsContact C-N 3.32Å; I124-A126 PolarHBondContact O-N 2.93Å; A126-N130 VanDerWaalsContact O-CB 3.31Å; A126-N130 WeakPolarHBondContact O-CB 3.49Å; A126-N130 PolarHBondContact O-N 3.33Å; A126-N130 PolarHBondContact O-ND2 2.86Å |
| 127 | Y | 89.9 | Confident | 87.7 | Confident | 65 Ų | 65 | 46.4 Ų | 46.4 | 26% | 0.255 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -68.5 | -45.9 | 175.3 | -71.8 | -63 | 0 | 0 | 0 | 112.5 | K123 I124 R129 N130 Q131 W134 V139 A142 M143 | K123-Y127 VanDerWaalsContact O-CD2 3.22Å; K123-Y127 WeakPolarHBondContact O-CD2 3.47Å; K123-Y127 PolarHBondContact O-N 3.45Å; I124-Y127 PolarHBondContact O-N 2.91Å; Y127-R129 PolarHBondContact O-N 2.91Å; Y127-N130 PolarHBondContact O-N 3.49Å; Y127-N130 VanDerWaalsContact O-N 3.15Å; Y127-Q131 PolarHBondContact O-N 3.2Å; Y127-W134 HydrophobicContact CD1-CE3 4.03Å; Y127-W134 HydrophobicContact CD1-CH2 4.34Å; Y127-W134 AromaticContact CD1-CZ3 3.45Å; Y127-W134 HydrophobicContact CD1-CZ3 3.45Å; Y127-W134 VanDerWaalsContact CD1-CZ3 3.45Å; Y127-W134 HydrophobicContact CE1-CH2 4.41Å; Y127-W134 AromaticContact CE1-CZ3 3.8Å; Y127-W134 HydrophobicContact CE1-CZ3 3.8Å; Y127-W134 HydrophobicContact CG-CE3 4.43Å; Y127-W134 HydrophobicContact CG-CZ3 4.18Å; Y127-V139 HydrophobicContact CD2-CG1 4.1Å; Y127-A142 HydrophobicContact CD1-CB 4.29Å; Y127-A142 HydrophobicContact CE1-CB 3.75Å; Y127-A142 HydrophobicContact CE2-CB 4.01Å; Y127-A142 PolarHBondContact OH-O 3.01Å; Y127-M143 HydrophobicContact CD2-CG 4.14Å; Y127-M143 HydrophobicContact CD2-SD 4.39Å; Y127-M143 HydrophobicContact CE2-CG 3.7Å; Y127-M143 HydrophobicContact CE2-SD 4.49Å |
| 128 | C | 85.5 | Confident | 88.3 | Confident | 8 Ų | 8 | 44 Ų | 44 | 5% | 0.054 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -56.3 | -36.8 | 177.2 | -65.4 | 0 | 0 | 0 | 0 | 112.6 | H98 I124 | H98-C128 VanDerWaalsContact CD2-CB 3.48Å; H98-C128 WeakPolarHBondContact CD2-CB 3.39Å; H98-C128 WeakPolarHBondContact NE2-CB 3.5Å; I124-C128 WeakPolarHBondContact O-CB 3.42Å; I124-C128 PolarHBondContact O-N 3.19Å; I124-C128 PolarHBondContact O-SG 3.12Å |
| 129 | R | 81.4 | Confident | 88.7 | Confident | 146 Ų | 146 | 41 Ų | 41 | 55% | 0.551 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -76.5 | -37.1 | 177.9 | -177.7 | 174.5 | 176.8 | 134.3 | 13.8 | 113.5 | N22 N125 Y127 | N22-R129 WeakPolarHBondContact OD1-CD 3.48Å; N22-R129 PolarHBondContact OD1-NH1 2.71Å; N125-R129 VanDerWaalsContact O-CB 3.29Å; N125-R129 WeakPolarHBondContact O-CB 3.45Å; N125-R129 PolarHBondContact O-N 2.86Å; Y127-R129 PolarHBondContact O-N 2.91Å |
| 130 | N | 83.7 | Confident | 89.2 | Confident | 116 Ų | 116 | 37.5 Ų | 37.5 | 62% | 0.62 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -89.7 | -25.7 | -174.1 | -67.8 | -11 | 0 | 0 | 0 | 113.5 | A126 Y127 | A126-N130 VanDerWaalsContact O-CB 3.31Å; A126-N130 WeakPolarHBondContact O-CB 3.49Å; A126-N130 PolarHBondContact O-N 3.33Å; A126-N130 PolarHBondContact O-ND2 2.86Å; Y127-N130 PolarHBondContact O-N 3.49Å; Y127-N130 VanDerWaalsContact O-N 3.15Å |
| 131 | Q | 83.7 | Confident | 89.5 | Confident | 70 Ų | 70 | 35.3 Ų | 35.3 | 33% | 0.327 | 18% | 0.181 | S | C | . | . | trans | -128.6 | 77.8 | -173.8 | -59.8 | -66.5 | 0.9 | 0 | 0 | 109.6 | Y127 G133 W134 | Y127-Q131 PolarHBondContact O-N 3.2Å; Q131-G133 PolarHBondContact O-N 3.05Å; Q131-W134 HydrophobicContact CB-CB 4Å; Q131-W134 HydrophobicContact CB-CD2 3.43Å; Q131-W134 VanDerWaalsContact CB-CD2 3.43Å; Q131-W134 HydrophobicContact CB-CE3 3.89Å; Q131-W134 HydrophobicContact CB-CG 3.47Å; Q131-W134 VanDerWaalsContact CB-CG 3.47Å; Q131-W134 HydrophobicContact CB-CZ2 4.44Å; Q131-W134 HydrophobicContact CG-CD2 3.7Å; Q131-W134 HydrophobicContact CG-CE3 3.9Å; Q131-W134 HydrophobicContact CG-CG 4.26Å; Q131-W134 HydrophobicContact CG-CH2 4.04Å; Q131-W134 HydrophobicContact CG-CZ2 3.83Å; Q131-W134 HydrophobicContact CG-CZ3 4.06Å; Q131-W134 PolarHBondContact O-N 3.44Å | ||
| 132 | C | 78.3 | Confident | 89.8 | Confident | 79 Ų | 79 | 36 Ų | 36 | 53% | 0.534 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -17.4 | -166.2 | 66 | 0 | 0 | 0 | 0 | 115.4 | R97 | R97-C132 VanDerWaalsContact CZ-O 3.26Å; R97-C132 PolarHBondContact NE-O 2.91Å; R97-C132 PolarHBondContact NH2-O 3.49Å |
| 133 | G | 85.2 | Confident | 90 | Very high | 21 Ų | 21 | 34.2 Ų | 34.2 | 22% | 0.216 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -7.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q131 S135 D162 | Q131-G133 PolarHBondContact O-N 3.05Å; G133-S135 PolarHBondContact O-N 3.23Å; G133-D162 WeakPolarHBondContact CA-OD1 3.35Å |
| 134 | W | 92.2 | Very high | 90.3 | Very high | 8 Ų | 8 | 31.6 Ų | 31.6 | 3% | 0.03 | 17% | 0.174 | C | C | . | . | trans | -70.9 | 129.3 | -175.2 | -79.7 | 16.4 | 0 | 0 | 0 | 113.4 | R97 V101 Y127 Q131 H138 V139 A142 D162 S165 L167 V172 | R97-W134 PolarHBondContact NH2-O 3.45Å; V101-W134 WeakPolarHBondContact CG2-O 3.49Å; Y127-W134 HydrophobicContact CD1-CE3 4.03Å; Y127-W134 HydrophobicContact CD1-CH2 4.34Å; Y127-W134 AromaticContact CD1-CZ3 3.45Å; Y127-W134 HydrophobicContact CD1-CZ3 3.45Å; Y127-W134 VanDerWaalsContact CD1-CZ3 3.45Å; Y127-W134 HydrophobicContact CE1-CH2 4.41Å; Y127-W134 AromaticContact CE1-CZ3 3.8Å; Y127-W134 HydrophobicContact CE1-CZ3 3.8Å; Y127-W134 HydrophobicContact CG-CE3 4.43Å; Y127-W134 HydrophobicContact CG-CZ3 4.18Å; Q131-W134 HydrophobicContact CB-CB 4Å; Q131-W134 HydrophobicContact CB-CD2 3.43Å; Q131-W134 VanDerWaalsContact CB-CD2 3.43Å; Q131-W134 HydrophobicContact CB-CE3 3.89Å; Q131-W134 HydrophobicContact CB-CG 3.47Å; Q131-W134 VanDerWaalsContact CB-CG 3.47Å; Q131-W134 HydrophobicContact CB-CZ2 4.44Å; Q131-W134 HydrophobicContact CG-CD2 3.7Å; Q131-W134 HydrophobicContact CG-CE3 3.9Å; Q131-W134 HydrophobicContact CG-CG 4.26Å; Q131-W134 HydrophobicContact CG-CH2 4.04Å; Q131-W134 HydrophobicContact CG-CZ2 3.83Å; Q131-W134 HydrophobicContact CG-CZ3 4.06Å; Q131-W134 PolarHBondContact O-N 3.44Å; W134-H138 HydrophobicContact CB-CB 3.69Å; W134-H138 AromaticContact CD1-CD2 3.98Å; W134-H138 HydrophobicContact CD2-CB 3.86Å; W134-H138 HydrophobicContact CE3-CB 4.16Å; W134-H138 HydrophobicContact CG-CB 3.65Å; W134-V139 HydrophobicContact CB-CG2 4.35Å; W134-V139 HydrophobicContact CE3-CG2 4.28Å; W134-A142 HydrophobicContact CE3-CB 4.43Å; W134-A142 HydrophobicContact CH2-CB 4.06Å; W134-A142 HydrophobicContact CZ3-CB 3.49Å; W134-A142 VanDerWaalsContact CZ3-CB 3.49Å; W134-D162 VanDerWaalsContact CD1-OD2 3.22Å; W134-S165 PolarHBondContact NE1-OG 2.76Å; W134-L167 HydrophobicContact CZ2-CD1 4.1Å; W134-V172 HydrophobicContact CH2-CG1 3.99Å; W134-V172 HydrophobicContact CH2-CG2 4.22Å; W134-V172 HydrophobicContact CZ2-CG1 4.45Å; W134-V172 HydrophobicContact CZ2-CG2 3.88Å; W134-V172 HydrophobicContact CZ3-CG1 4.45Å | ||
| 135 | S | 94.2 | Very high | 90.4 | Very high | 14 Ų | 14 | 32.6 Ų | 32.6 | 10% | 0.098 | 18% | 0.178 | C | C | . | . | trans | -87.8 | 176.9 | 173.5 | 68.7 | 0 | 0 | 0 | 0 | 113.1 | G133 A137 H138 V139 E160 | G133-S135 PolarHBondContact O-N 3.23Å; S135-A137 PolarHBondContact O-N 3.49Å; S135-H138 PolarHBondContact N-ND1 3.19Å; S135-H138 WeakPolarHBondContact O-CB 3.36Å; S135-H138 PolarHBondContact O-N 2.9Å; S135-H138 PolarHBondContact OG-ND1 2.85Å; S135-V139 PolarHBondContact O-N 3.37Å; S135-V139 VanDerWaalsContact O-N 3.08Å; S135-E160 WeakPolarHBondContact CB-OE2 3.17Å; S135-E160 PolarHBondContact OG-OE2 3.06Å | ||
| 136 | A | 94.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -50.6 | -39.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | V101 P104 L105 V139 A140 L157 | V101-A136 WeakPolarHBondContact O-CB 3.4Å; P104-A136 HydrophobicContact CB-CB 3.64Å; P104-A136 HydrophobicContact CG-CB 3.88Å; L105-A136 HydrophobicContact CD2-CB 4.21Å; L105-A136 HydrophobicContact CG-CB 3.96Å; A136-V139 PolarHBondContact O-N 3.41Å; A136-A140 WeakPolarHBondContact O-CB 3.09Å; A136-A140 PolarHBondContact O-N 2.9Å; A136-L157 HydrophobicContact CB-CD1 3.87Å |
| 137 | A | 96 | Very high | 90.8 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68.6 | -38.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S135 A140 A141 F149 V154 L157 P169 | S135-A137 PolarHBondContact O-N 3.49Å; A137-A140 PolarHBondContact O-N 3.45Å; A137-A141 PolarHBondContact O-N 3.33Å; A137-F149 HydrophobicContact CB-CE1 3.88Å; A137-F149 VanDerWaalsContact O-CZ 3.28Å; A137-F149 WeakPolarHBondContact O-CZ 3.26Å; A137-V154 HydrophobicContact CB-CG1 4.08Å; A137-L157 HydrophobicContact CB-CB 3.85Å; A137-L157 VanDerWaalsContact CB-O 3.27Å; A137-L157 WeakPolarHBondContact CB-O 3.44Å; A137-P169 HydrophobicContact CB-CB 4.15Å; A137-P169 HydrophobicContact CB-CG 3.51Å |
| 138 | H | 95.2 | Very high | 91 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.2 | -44.4 | 174.7 | -69.5 | 83.3 | 0 | 0 | 0 | 111.3 | W134 S135 A141 A142 E160 L167 T168 | W134-H138 HydrophobicContact CB-CB 3.69Å; W134-H138 AromaticContact CD1-CD2 3.98Å; W134-H138 HydrophobicContact CD2-CB 3.86Å; W134-H138 HydrophobicContact CE3-CB 4.16Å; W134-H138 HydrophobicContact CG-CB 3.65Å; S135-H138 PolarHBondContact N-ND1 3.19Å; S135-H138 WeakPolarHBondContact O-CB 3.36Å; S135-H138 PolarHBondContact O-N 2.9Å; S135-H138 PolarHBondContact OG-ND1 2.85Å; H138-A141 PolarHBondContact O-N 3.01Å; H138-A142 WeakPolarHBondContact O-CB 3.46Å; H138-A142 PolarHBondContact O-N 3.19Å; H138-E160 PolarHBondContact CE1-O 3.05Å; H138-E160 VanDerWaalsContact CE1-O 3.24Å; H138-L167 PolarHBondContact NE2-O 2.76Å; H138-T168 WeakPolarHBondContact NE2-CA 3.49Å |
| 139 | V | 94.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68.5 | -38.7 | 178.3 | 176.2 | 0 | 0 | 0 | 0 | 111.7 | V101 L105 I124 Y127 W134 S135 A136 A141 A142 M143 | V101-V139 HydrophobicContact CG1-CB 4.06Å; V101-V139 HydrophobicContact CG1-CG1 4.47Å; V101-V139 HydrophobicContact CG1-CG2 3.7Å; L105-V139 HydrophobicContact CD1-CG1 4.43Å; I124-V139 HydrophobicContact CB-CG1 4.41Å; I124-V139 HydrophobicContact CG1-CG1 3.96Å; I124-V139 HydrophobicContact CG2-CG1 4.49Å; Y127-V139 HydrophobicContact CD2-CG1 4.1Å; W134-V139 HydrophobicContact CB-CG2 4.35Å; W134-V139 HydrophobicContact CE3-CG2 4.28Å; S135-V139 PolarHBondContact O-N 3.37Å; S135-V139 VanDerWaalsContact O-N 3.08Å; A136-V139 PolarHBondContact O-N 3.41Å; V139-A141 PolarHBondContact O-N 3.23Å; V139-A142 PolarHBondContact O-N 3.27Å; V139-M143 HydrophobicContact CG1-CG 4.43Å; V139-M143 HydrophobicContact CG1-SD 3.67Å; V139-M143 WeakPolarHBondContact O-CB 3.48Å; V139-M143 VanDerWaalsContact O-CG 3.27Å; V139-M143 WeakPolarHBondContact O-CG 3.29Å; V139-M143 PolarHBondContact O-N 3.45Å |
| 140 | A | 95.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.7 | -43.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L105 A136 A137 M143 S144 W145 V148 F149 | L105-A140 HydrophobicContact CD2-CB 4.19Å; A136-A140 WeakPolarHBondContact O-CB 3.09Å; A136-A140 PolarHBondContact O-N 2.9Å; A137-A140 PolarHBondContact O-N 3.45Å; A140-M143 PolarHBondContact O-N 3.14Å; A140-S144 PolarHBondContact O-N 3.03Å; A140-W145 PolarHBondContact O-N 3.01Å; A140-V148 HydrophobicContact CB-CG2 3.67Å; A140-F149 HydrophobicContact CB-CD2 4.33Å; A140-F149 HydrophobicContact CB-CE2 3.54Å; A140-F149 HydrophobicContact CB-CZ 3.67Å |
| 141 | A | 95.9 | Very high | 92.3 | Very high | 2 Ų | 2 | 27.4 Ų | 27.4 | 2% | 0.017 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.5 | -47.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | A137 H138 V139 M143 S144 F149 P169 V172 | A137-A141 PolarHBondContact O-N 3.33Å; H138-A141 PolarHBondContact O-N 3.01Å; V139-A141 PolarHBondContact O-N 3.23Å; A141-M143 PolarHBondContact O-N 2.9Å; A141-S144 PolarHBondContact O-N 2.94Å; A141-S144 VanDerWaalsContact O-N 3.13Å; A141-F149 HydrophobicContact CB-CZ 4.13Å; A141-P169 HydrophobicContact CB-CB 4.25Å; A141-P169 VanDerWaalsContact CB-O 3.24Å; A141-P169 WeakPolarHBondContact CB-O 3.41Å; A141-V172 HydrophobicContact CB-CB 4.2Å; A141-V172 HydrophobicContact CB-CG1 4.14Å |
| 142 | A | 94.7 | Very high | 92.7 | Very high | 13 Ų | 13 | 29.2 Ų | 29.2 | 11% | 0.107 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.4 | -15 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y127 W134 H138 V139 V172 | Y127-A142 HydrophobicContact CD1-CB 4.29Å; Y127-A142 HydrophobicContact CE1-CB 3.75Å; Y127-A142 HydrophobicContact CE2-CB 4.01Å; Y127-A142 PolarHBondContact OH-O 3.01Å; W134-A142 HydrophobicContact CE3-CB 4.43Å; W134-A142 HydrophobicContact CH2-CB 4.06Å; W134-A142 HydrophobicContact CZ3-CB 3.49Å; W134-A142 VanDerWaalsContact CZ3-CB 3.49Å; H138-A142 WeakPolarHBondContact O-CB 3.46Å; H138-A142 PolarHBondContact O-N 3.19Å; V139-A142 PolarHBondContact O-N 3.27Å; A142-V172 HydrophobicContact CB-CG1 3.77Å |
| 143 | M | 93.5 | Very high | 93.4 | Very high | 22 Ų | 22 | 26.5 Ų | 26.5 | 11% | 0.108 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 3 | 176.2 | -71.9 | 177.8 | 52.3 | 0 | 0 | 113.6 | H120 K123 I124 Y127 V139 A140 A141 W145 | H120-M143 HydrophobicContact CB-CE 4.07Å; K123-M143 HydrophobicContact CB-CE 4.01Å; K123-M143 HydrophobicContact CB-CG 4.29Å; K123-M143 HydrophobicContact CB-SD 3.82Å; K123-M143 HydrophobicContact CD-CE 4.15Å; K123-M143 HydrophobicContact CD-CG 4.33Å; I124-M143 HydrophobicContact CG1-CE 4.13Å; I124-M143 HydrophobicContact CG1-SD 3.68Å; Y127-M143 HydrophobicContact CD2-CG 4.14Å; Y127-M143 HydrophobicContact CD2-SD 4.39Å; Y127-M143 HydrophobicContact CE2-CG 3.7Å; Y127-M143 HydrophobicContact CE2-SD 4.49Å; V139-M143 HydrophobicContact CG1-CG 4.43Å; V139-M143 HydrophobicContact CG1-SD 3.67Å; V139-M143 WeakPolarHBondContact O-CB 3.48Å; V139-M143 VanDerWaalsContact O-CG 3.27Å; V139-M143 WeakPolarHBondContact O-CG 3.29Å; V139-M143 PolarHBondContact O-N 3.45Å; A140-M143 PolarHBondContact O-N 3.14Å; A141-M143 PolarHBondContact O-N 2.9Å; M143-W145 HydrophobicContact CB-CB 4.29Å; M143-W145 HydrophobicContact CE-CE3 4.03Å; M143-W145 HydrophobicContact CE-CZ3 4.34Å; M143-W145 PolarHBondContact O-N 3.35Å |
| 144 | S | 94.7 | Very high | 93.8 | Very high | 56 Ų | 56 | 25.5 Ų | 25.5 | 39% | 0.392 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | 21.3 | -170.9 | -51.9 | 0 | 0 | 0 | 0 | 114.2 | A140 A141 R146 D178 T181 | A140-S144 PolarHBondContact O-N 3.03Å; A141-S144 PolarHBondContact O-N 2.94Å; A141-S144 VanDerWaalsContact O-N 3.13Å; S144-R146 VanDerWaalsContact C-N 3.33Å; S144-R146 PolarHBondContact O-N 3.35Å; S144-R146 PolarHBondContact O-NE 2.75Å; S144-D178 WeakPolarHBondContact CB-OD2 3.48Å; S144-D178 PolarHBondContact OG-OD2 2.93Å; S144-T181 WeakPolarHBondContact CA-OG1 3.48Å |
| 145 | W | 92.9 | Very high | 93.8 | Very high | 21 Ų | 21 | 26.6 Ų | 26.6 | 8% | 0.08 | 14% | 0.138 | C | C | . | . | trans | -85 | 76.2 | -173.4 | -158.9 | 2.5 | 0 | 0 | 0 | 109.8 | C109 I116 H120 I124 A140 M143 V148 F149 | C109-W145 WeakPolarHBondContact SG-CH2 3.17Å; C109-W145 VanDerWaalsContact SG-CZ2 3.58Å; I116-W145 HydrophobicContact CB-CH2 4.44Å; I116-W145 HydrophobicContact CD1-CH2 4.49Å; I116-W145 HydrophobicContact CG1-CH2 4.31Å; H120-W145 HydrophobicContact CB-CH2 4.49Å; H120-W145 HydrophobicContact CB-CZ3 4.41Å; H120-W145 AromaticContact CD2-CH2 3.75Å; H120-W145 AromaticContact CD2-CZ2 3.94Å; H120-W145 AromaticContact CD2-CZ3 3.8Å; I124-W145 HydrophobicContact CD1-CZ3 4.39Å; A140-W145 PolarHBondContact O-N 3.01Å; M143-W145 HydrophobicContact CB-CB 4.29Å; M143-W145 HydrophobicContact CE-CE3 4.03Å; M143-W145 HydrophobicContact CE-CZ3 4.34Å; M143-W145 PolarHBondContact O-N 3.35Å; W145-V148 HydrophobicContact CB-CG2 4.35Å; W145-V148 HydrophobicContact CD2-CG1 3.92Å; W145-V148 HydrophobicContact CD2-CG2 4.25Å; W145-V148 HydrophobicContact CE3-CG1 4.47Å; W145-V148 HydrophobicContact CG-CG1 4.26Å; W145-V148 HydrophobicContact CG-CG2 4.08Å; W145-V148 HydrophobicContact CZ2-CG1 4.08Å; W145-V148 VanDerWaalsContact O-CG2 3.29Å; W145-V148 WeakPolarHBondContact O-CG2 3.31Å; W145-F149 WeakPolarHBondContact O-CD2 3.49Å | ||
| 146 | R | 93.8 | Very high | 93.7 | Very high | 73 Ų | 73 | 34.4 Ų | 34.4 | 28% | 0.275 | 17% | 0.165 | S | C | . | . | trans | -70.9 | -33.6 | -170.7 | -72.1 | 159.5 | -68.6 | 154.8 | 6.7 | 112.5 | S144 V148 F149 T181 F184 | S144-R146 VanDerWaalsContact C-N 3.33Å; S144-R146 PolarHBondContact O-N 3.35Å; S144-R146 PolarHBondContact O-NE 2.75Å; R146-V148 PolarHBondContact O-N 3.02Å; R146-F149 WeakPolarHBondContact O-CD2 3.43Å; R146-F149 PolarHBondContact O-N 3.43Å; R146-T181 WeakPolarHBondContact CD-OG1 3.44Å; R146-T181 HydrophobicContact CG-CG2 4.07Å; R146-T181 WeakPolarHBondContact CG-OG1 3.43Å; R146-F184 HydrophobicContact CB-CB 4.16Å; R146-F184 HydrophobicContact CB-CD1 4.02Å; R146-F184 HydrophobicContact CB-CD2 3.86Å; R146-F184 HydrophobicContact CB-CE1 4.4Å; R146-F184 HydrophobicContact CB-CE2 4.24Å; R146-F184 HydrophobicContact CB-CG 3.73Å; R146-F184 HydrophobicContact CB-CZ 4.49Å; R146-F184 HydrophobicContact CG-CB 3.86Å; R146-F184 HydrophobicContact CG-CD1 4.47Å; R146-F184 HydrophobicContact CG-CD2 4.44Å; R146-F184 HydrophobicContact CG-CG 4.02Å; R146-F184 WeakPolarHBondContact O-CE1 3.39Å; R146-F184 WeakPolarHBondContact O-CZ 3.44Å | ||
| 147 | E | 91 | Very high | 93.7 | Very high | 81 Ų | 81 | 35.9 Ų | 35.9 | 38% | 0.379 | 17% | 0.173 | S | C | . | . | G | 310 helix | trans | -59.8 | -43.1 | -174.2 | -63.4 | 74.6 | -167.8 | 0 | 0 | 112.1 | M112 L114 F149 L150 | M112-E147 HydrophobicContact CE-CB 4.37Å; M112-E147 VanDerWaalsContact CE-O 3.22Å; M112-E147 WeakPolarHBondContact CE-O 3.37Å; M112-E147 VanDerWaalsContact SD-O 3.33Å; L114-E147 HydrophobicContact CD1-CB 3.95Å; E147-F149 PolarHBondContact O-N 2.84Å; E147-F149 VanDerWaalsContact O-N 3.13Å; E147-L150 WeakPolarHBondContact O-CB 3.43Å; E147-L150 PolarHBondContact O-N 2.79Å |
| 148 | V | 93.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -64.7 | -20.7 | -174.5 | -66.6 | 0 | 0 | 0 | 0 | 114 | L105 A108 L114 A140 W145 R146 L150 S151 V154 | L105-V148 HydrophobicContact CD2-CG2 4.09Å; A108-V148 HydrophobicContact CB-CB 3.77Å; A108-V148 HydrophobicContact CB-CG1 3.81Å; L114-V148 HydrophobicContact CD1-CG1 3.87Å; A140-V148 HydrophobicContact CB-CG2 3.67Å; W145-V148 HydrophobicContact CB-CG2 4.35Å; W145-V148 HydrophobicContact CD2-CG1 3.92Å; W145-V148 HydrophobicContact CD2-CG2 4.25Å; W145-V148 HydrophobicContact CE3-CG1 4.47Å; W145-V148 HydrophobicContact CG-CG1 4.26Å; W145-V148 HydrophobicContact CG-CG2 4.08Å; W145-V148 HydrophobicContact CZ2-CG1 4.08Å; W145-V148 VanDerWaalsContact O-CG2 3.29Å; W145-V148 WeakPolarHBondContact O-CG2 3.31Å; R146-V148 PolarHBondContact O-N 3.02Å; V148-L150 PolarHBondContact O-N 3.1Å; V148-S151 WeakPolarHBondContact O-CB 3.47Å; V148-S151 PolarHBondContact O-N 3.07Å; V148-V154 HydrophobicContact CB-CG2 4.31Å |
| 149 | F | 93.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -67.1 | -14 | 174.8 | -69.5 | -86.4 | 0 | 0 | 0 | 113.8 | A137 A140 A141 W145 R146 E147 S151 V154 N155 L158 P169 F184 L185 L188 | A137-F149 HydrophobicContact CB-CE1 3.88Å; A137-F149 VanDerWaalsContact O-CZ 3.28Å; A137-F149 WeakPolarHBondContact O-CZ 3.26Å; A140-F149 HydrophobicContact CB-CD2 4.33Å; A140-F149 HydrophobicContact CB-CE2 3.54Å; A140-F149 HydrophobicContact CB-CZ 3.67Å; A141-F149 HydrophobicContact CB-CZ 4.13Å; W145-F149 WeakPolarHBondContact O-CD2 3.49Å; R146-F149 WeakPolarHBondContact O-CD2 3.43Å; R146-F149 PolarHBondContact O-N 3.43Å; E147-F149 PolarHBondContact O-N 2.84Å; E147-F149 VanDerWaalsContact O-N 3.13Å; F149-S151 VanDerWaalsContact C-N 3.29Å; F149-V154 HydrophobicContact CD1-CG1 3.99Å; F149-V154 HydrophobicContact CE1-CG1 4.25Å; F149-V154 HydrophobicContact CG-CG1 4.41Å; F149-N155 WeakPolarHBondContact O-CB 3.41Å; F149-N155 PolarHBondContact O-ND2 2.7Å; F149-L158 HydrophobicContact CD1-CD1 3.66Å; F149-L158 HydrophobicContact CE1-CD1 3.95Å; F149-P169 HydrophobicContact CE1-CB 4.32Å; F149-F184 HydrophobicContact CB-CE1 4.14Å; F149-L185 HydrophobicContact CD1-CD2 3.73Å; F149-L185 HydrophobicContact CD2-CD2 4.1Å; F149-L185 HydrophobicContact CE1-CD2 3.64Å; F149-L185 HydrophobicContact CE2-CD2 4.03Å; F149-L185 HydrophobicContact CG-CD2 3.94Å; F149-L185 HydrophobicContact CZ-CD2 3.79Å; F149-L188 HydrophobicContact CB-CD1 4.23Å |
| 150 | L | 92 | Very high | 93.4 | Very high | 108 Ų | 108 | 41.4 Ų | 41.4 | 57% | 0.565 | 20% | 0.2 | S | C | * | . | G | 310 helix | trans | -78.4 | -13 | 169.8 | -58.7 | 178.5 | 0 | 0 | 0 | 112.7 | M112 E147 V148 F184 L188 | M112-L150 HydrophobicContact CE-CB 3.9Å; M112-L150 HydrophobicContact CE-CD1 4.17Å; M112-L150 HydrophobicContact SD-CB 4.16Å; E147-L150 WeakPolarHBondContact O-CB 3.43Å; E147-L150 PolarHBondContact O-N 2.79Å; V148-L150 PolarHBondContact O-N 3.1Å; L150-F184 HydrophobicContact CD1-CZ 4.18Å; L150-F184 HydrophobicContact CD2-CE1 4.26Å; L150-F184 HydrophobicContact CD2-CZ 3.85Å; L150-F184 HydrophobicContact CG-CE1 4.41Å; L150-F184 HydrophobicContact CG-CZ 3.85Å; L150-L188 HydrophobicContact CD2-CD2 4.35Å |
| 151 | S | 92.4 | Very high | 93 | Very high | 7 Ų | 7 | 46 Ų | 46 | 5% | 0.049 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -86.2 | 130.6 | 174.1 | -154.6 | 0 | 0 | 0 | 0 | 111.1 | A108 V148 F149 S153 V154 N155 | A108-S151 WeakPolarHBondContact CA-OG 3.4Å; A108-S151 VanDerWaalsContact CB-CB 3.45Å; V148-S151 WeakPolarHBondContact O-CB 3.47Å; V148-S151 PolarHBondContact O-N 3.07Å; F149-S151 VanDerWaalsContact C-N 3.29Å; S151-S153 PolarHBondContact O-N 3.18Å; S151-V154 PolarHBondContact O-N 3.41Å; S151-N155 WeakPolarHBondContact O-CB 3.13Å; S151-N155 PolarHBondContact O-N 2.93Å |
| 152 | E | 92.1 | Very high | 92.6 | Very high | 107 Ų | 107 | 46 Ų | 46 | 50% | 0.5 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -48.3 | -30.4 | 176.1 | 179.3 | 66.2 | -179.7 | 0 | 0 | 113.7 | R156 | E152-R156 WeakPolarHBondContact O-CD 3.39Å; E152-R156 VanDerWaalsContact O-CG 3.22Å; E152-R156 WeakPolarHBondContact O-CG 3.31Å; E152-R156 PolarHBondContact O-N 3.24Å; E152-R156 IonicContact OE1-CZ 2.73Å; E152-R156 IonicContact OE1-NE 3.19Å; E152-R156 PolarHBondContact OE1-NE 2.8Å; E152-R156 IonicContact OE1-NH2 2.88Å; E152-R156 PolarHBondContact OE1-NH2 2.89Å |
| 153 | S | 93.1 | Very high | 92 | Very high | 23 Ų | 23 | 49.7 Ų | 49.7 | 16% | 0.161 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.7 | -38.5 | 177.6 | 55.5 | 0 | 0 | 0 | 0 | 113.5 | P104 A108 S151 | P104-S153 WeakPolarHBondContact O-CB 3.36Å; P104-S153 PolarHBondContact O-OG 2.71Å; A108-S153 PolarHBondContact N-OG 3.39Å; S151-S153 PolarHBondContact O-N 3.18Å |
| 154 | V | 93.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -94.9 | -32.8 | 179.2 | -178.8 | 0 | 0 | 0 | 0 | 110.9 | P104 L105 A108 A137 V148 F149 S151 R156 L157 L158 | P104-V154 HydrophobicContact CB-CG2 4.23Å; L105-V154 HydrophobicContact CD2-CG2 4.1Å; A108-V154 HydrophobicContact CB-CG2 3.98Å; A137-V154 HydrophobicContact CB-CG1 4.08Å; V148-V154 HydrophobicContact CB-CG2 4.31Å; F149-V154 HydrophobicContact CD1-CG1 3.99Å; F149-V154 HydrophobicContact CE1-CG1 4.25Å; F149-V154 HydrophobicContact CG-CG1 4.41Å; S151-V154 PolarHBondContact O-N 3.41Å; V154-R156 VanDerWaalsContact C-N 3.28Å; V154-R156 PolarHBondContact O-N 3.35Å; V154-L157 WeakPolarHBondContact O-CA 3.4Å; V154-L157 WeakPolarHBondContact O-CB 3.2Å; V154-L157 PolarHBondContact O-N 3.48Å; V154-L158 PolarHBondContact O-N 3.32Å |
| 155 | N | 92 | Very high | 90.5 | Very high | 30 Ų | 30 | 54.7 Ų | 54.7 | 16% | 0.16 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.8 | -35.4 | -180 | -164.4 | -81.9 | 0 | 0 | 0 | 112.6 | F149 S151 L157 L158 N190 | F149-N155 WeakPolarHBondContact O-CB 3.41Å; F149-N155 PolarHBondContact O-ND2 2.7Å; S151-N155 WeakPolarHBondContact O-CB 3.13Å; S151-N155 PolarHBondContact O-N 2.93Å; N155-L157 PolarHBondContact O-N 3.05Å; N155-L157 VanDerWaalsContact O-N 3.14Å; N155-L158 WeakPolarHBondContact O-CB 3.46Å; N155-L158 PolarHBondContact O-N 2.95Å; N155-L158 VanDerWaalsContact O-N 3.15Å; N155-N190 PolarHBondContact OD1-ND2 3.03Å |
| 156 | R | 93.4 | Very high | 89.9 | Confident | 178 Ų | 178 | 53.7 Ų | 53.7 | 67% | 0.672 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -23.9 | 171.4 | -75.6 | 171.1 | -176.7 | -174.1 | 4.9 | 114.3 | E152 V154 | E152-R156 WeakPolarHBondContact O-CD 3.39Å; E152-R156 VanDerWaalsContact O-CG 3.22Å; E152-R156 WeakPolarHBondContact O-CG 3.31Å; E152-R156 PolarHBondContact O-N 3.24Å; E152-R156 IonicContact OE1-CZ 2.73Å; E152-R156 IonicContact OE1-NE 3.19Å; E152-R156 PolarHBondContact OE1-NE 2.8Å; E152-R156 IonicContact OE1-NH2 2.88Å; E152-R156 PolarHBondContact OE1-NH2 2.89Å; V154-R156 VanDerWaalsContact C-N 3.28Å; V154-R156 PolarHBondContact O-N 3.35Å |
| 157 | L | 94.7 | Very high | 89.7 | Confident | 31 Ų | 31 | 50.7 Ų | 50.7 | 16% | 0.162 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | -0.4 | -175.2 | -50.3 | 176.3 | 0 | 0 | 0 | 112.1 | P104 A136 A137 V154 N155 N159 E160 | P104-L157 HydrophobicContact CB-CD1 3.87Å; P104-L157 HydrophobicContact CG-CD1 3.76Å; A136-L157 HydrophobicContact CB-CD1 3.87Å; A137-L157 HydrophobicContact CB-CB 3.85Å; A137-L157 VanDerWaalsContact CB-O 3.27Å; A137-L157 WeakPolarHBondContact CB-O 3.44Å; V154-L157 WeakPolarHBondContact O-CA 3.4Å; V154-L157 WeakPolarHBondContact O-CB 3.2Å; V154-L157 PolarHBondContact O-N 3.48Å; N155-L157 PolarHBondContact O-N 3.05Å; N155-L157 VanDerWaalsContact O-N 3.14Å; L157-N159 PolarHBondContact O-N 3.09Å; L157-N159 VanDerWaalsContact O-N 3.07Å; L157-E160 HydrophobicContact CB-CG 4.43Å; L157-E160 WeakPolarHBondContact CB-OE2 3.16Å; L157-E160 HydrophobicContact CD2-CG 4.47Å; L157-E160 WeakPolarHBondContact CD2-OE1 3.47Å; L157-E160 WeakPolarHBondContact CD2-OE2 3.46Å; L157-E160 PolarHBondContact O-N 3.46Å; L157-E160 VanDerWaalsContact O-N 3.13Å |
| 158 | L | 93.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -32.3 | -175.1 | 179.9 | 68.4 | 0 | 0 | 0 | 114.2 | F149 V154 N155 P169 L185 L188 N190 I191 | F149-L158 HydrophobicContact CD1-CD1 3.66Å; F149-L158 HydrophobicContact CE1-CD1 3.95Å; V154-L158 PolarHBondContact O-N 3.32Å; N155-L158 WeakPolarHBondContact O-CB 3.46Å; N155-L158 PolarHBondContact O-N 2.95Å; N155-L158 VanDerWaalsContact O-N 3.15Å; L158-P169 WeakPolarHBondContact O-CD 3.43Å; L158-P169 WeakPolarHBondContact O-CG 3.21Å; L158-L185 HydrophobicContact CD1-CD2 3.58Å; L158-L188 HydrophobicContact CD1-CD1 3.84Å; L158-L188 HydrophobicContact CD2-CB 4.25Å; L158-L188 HydrophobicContact CD2-CD1 3.93Å; L158-N190 VanDerWaalsContact CD2-OD1 3.26Å; L158-N190 WeakPolarHBondContact CD2-OD1 3.48Å; L158-I191 HydrophobicContact CD1-CD1 3.85Å; L158-I191 HydrophobicContact CD2-CB 4.45Å; L158-I191 HydrophobicContact CD2-CD1 3.98Å; L158-I191 HydrophobicContact CG-CD1 3.75Å |
| 159 | N | 92.8 | Very high | 89.8 | Confident | 39 Ų | 39 | 47 Ų | 47 | 21% | 0.209 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.4 | 27 | -175.6 | -52.5 | -62.2 | 0 | 0 | 0 | 112.4 | L157 N190 K192 | L157-N159 PolarHBondContact O-N 3.09Å; L157-N159 VanDerWaalsContact O-N 3.07Å; N159-N190 PolarHBondContact ND2-O 2.87Å; N159-K192 HydrophobicContact CB-CB 4.25Å; N159-K192 HydrophobicContact CB-CD 4.04Å; N159-K192 HydrophobicContact CB-CG 4.17Å; N159-K192 WeakPolarHBondContact OD1-CB 3.47Å; N159-K192 PolarHBondContact OD1-N 3.37Å |
| 160 | E | 91.9 | Very high | 89.9 | Confident | 78 Ų | 78 | 47.1 Ų | 47.1 | 36% | 0.364 | 23% | 0.228 | S | C | . | . | trans | -69.6 | 146 | 167.8 | -73.8 | -177.7 | 138.8 | 0 | 0 | 110.4 | S135 H138 L157 T168 P169 | S135-E160 WeakPolarHBondContact CB-OE2 3.17Å; S135-E160 PolarHBondContact OG-OE2 3.06Å; H138-E160 PolarHBondContact CE1-O 3.05Å; H138-E160 VanDerWaalsContact CE1-O 3.24Å; L157-E160 HydrophobicContact CB-CG 4.43Å; L157-E160 WeakPolarHBondContact CB-OE2 3.16Å; L157-E160 HydrophobicContact CD2-CG 4.47Å; L157-E160 WeakPolarHBondContact CD2-OE1 3.47Å; L157-E160 WeakPolarHBondContact CD2-OE2 3.46Å; L157-E160 PolarHBondContact O-N 3.46Å; L157-E160 VanDerWaalsContact O-N 3.13Å; E160-T168 WeakPolarHBondContact O-CA 3.4Å; E160-T168 WeakPolarHBondContact O-CB 3.29Å; E160-P169 WeakPolarHBondContact O-CD 3.24Å | ||
| 161 | Y | 88.3 | Confident | 90 | Very high | 97 Ų | 97 | 42 Ų | 42 | 38% | 0.38 | 20% | 0.202 | S | C | . | . | trans | -113.3 | 121.7 | 178.3 | 174.9 | -85 | 0 | 0 | 0 | 108.1 | P163 L167 T168 | Y161-P163 VanDerWaalsContact O-CD 3.28Å; Y161-P163 WeakPolarHBondContact O-CD 3.32Å; Y161-L167 WeakPolarHBondContact CA-O 3.38Å; Y161-T168 HydrophobicContact CD2-CG2 4.18Å | ||
| 162 | D | 87.9 | Confident | 90 | Very high | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.011 | 20% | 0.2 | C | C | . | . | trans | -76.9 | 114.4 | 174.5 | 172.9 | 15.5 | 0 | 0 | 0 | 110.7 | G133 W134 F164 S165 G166 L167 | G133-D162 WeakPolarHBondContact CA-OD1 3.35Å; W134-D162 VanDerWaalsContact CD1-OD2 3.22Å; D162-F164 PolarHBondContact O-N 3.28Å; D162-F164 VanDerWaalsContact O-N 3.12Å; D162-F164 PolarHBondContact OD1-N 3.16Å; D162-S165 VanDerWaalsContact OD2-CB 3.28Å; D162-S165 WeakPolarHBondContact OD2-CB 3.48Å; D162-S165 PolarHBondContact OD2-N 3.19Å; D162-S165 PolarHBondContact OD2-OG 2.74Å; D162-G166 WeakPolarHBondContact O-CA 3.46Å; D162-G166 PolarHBondContact O-N 2.77Å; D162-L167 PolarHBondContact N-O 2.76Å | ||
| 163 | P | 81.3 | Confident | 90.2 | Very high | 91 Ų | 91 | 36.7 Ų | 36.7 | 59% | 0.591 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -5.5 | 179.5 | -17.2 | 32.9 | 0 | 0 | 0 | 115.2 | Y161 | Y161-P163 VanDerWaalsContact O-CD 3.28Å; Y161-P163 WeakPolarHBondContact O-CD 3.32Å |
| 164 | F | 79.9 | Confident | 90.3 | Very high | 151 Ų | 151 | 35.6 Ų | 35.6 | 66% | 0.662 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.6 | -20.5 | -178.6 | -60.6 | -76.3 | 0 | 0 | 0 | 114.5 | D162 | D162-F164 PolarHBondContact O-N 3.28Å; D162-F164 VanDerWaalsContact O-N 3.12Å; D162-F164 PolarHBondContact OD1-N 3.16Å |
| 165 | S | 78.2 | Confident | 90.2 | Very high | 32 Ų | 32 | 41.2 Ų | 41.2 | 22% | 0.224 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.7 | -6.7 | 174.7 | 67.7 | 0 | 0 | 0 | 0 | 113.8 | W134 D162 L167 | W134-S165 PolarHBondContact NE1-OG 2.76Å; D162-S165 VanDerWaalsContact OD2-CB 3.28Å; D162-S165 WeakPolarHBondContact OD2-CB 3.48Å; D162-S165 PolarHBondContact OD2-N 3.19Å; D162-S165 PolarHBondContact OD2-OG 2.74Å; S165-L167 PolarHBondContact O-N 3.45Å |
| 166 | G | 79 | Confident | 90.2 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | 63.3 | 22 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | D162 R171 D197 | D162-G166 WeakPolarHBondContact O-CA 3.46Å; D162-G166 PolarHBondContact O-N 2.77Å; G166-R171 PolarHBondContact O-NH1 3.12Å; G166-D197 WeakPolarHBondContact O-CB 3.29Å | ||
| 167 | L | 88.8 | Confident | 90.3 | Very high | 9 Ų | 9 | 40.1 Ų | 40.1 | 5% | 0.047 | 20% | 0.196 | C | C | . | . | trans | -102.1 | 158.4 | -177.3 | -60.6 | -179.4 | 0 | 0 | 0 | 112 | W134 H138 Y161 D162 S165 R171 V172 K175 | W134-L167 HydrophobicContact CZ2-CD1 4.1Å; H138-L167 PolarHBondContact NE2-O 2.76Å; Y161-L167 WeakPolarHBondContact CA-O 3.38Å; D162-L167 PolarHBondContact N-O 2.76Å; S165-L167 PolarHBondContact O-N 3.45Å; L167-R171 HydrophobicContact CB-CB 4.43Å; L167-R171 HydrophobicContact CD2-CB 3.84Å; L167-V172 HydrophobicContact CB-CG2 4.12Å; L167-V172 HydrophobicContact CD1-CG2 3.97Å; L167-K175 HydrophobicContact CD1-CD 4.26Å; L167-K175 HydrophobicContact CD2-CD 4.36Å | ||
| 168 | T | 93.1 | Very high | 90.3 | Very high | 5 Ų | 5 | 40 Ų | 40 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | trans | -122.2 | 165.7 | 162.1 | 69.5 | 0 | 0 | 0 | 0 | 107.8 | H138 E160 Y161 L170 R171 V172 | H138-T168 WeakPolarHBondContact NE2-CA 3.49Å; E160-T168 WeakPolarHBondContact O-CA 3.4Å; E160-T168 WeakPolarHBondContact O-CB 3.29Å; Y161-T168 HydrophobicContact CD2-CG2 4.18Å; T168-L170 PolarHBondContact O-N 2.87Å; T168-L170 VanDerWaalsContact O-N 3.15Å; T168-R171 WeakPolarHBondContact O-CA 3.3Å; T168-R171 PolarHBondContact O-N 3.32Å; T168-V172 PolarHBondContact O-N 3.21Å | ||
| 169 | P | 94.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -52.9 | -37.4 | 178.8 | -29.6 | 37.5 | 0 | 0 | 0 | 114.1 | A137 A141 F149 L158 E160 V172 A173 | A137-P169 HydrophobicContact CB-CB 4.15Å; A137-P169 HydrophobicContact CB-CG 3.51Å; A141-P169 HydrophobicContact CB-CB 4.25Å; A141-P169 VanDerWaalsContact CB-O 3.24Å; A141-P169 WeakPolarHBondContact CB-O 3.41Å; F149-P169 HydrophobicContact CE1-CB 4.32Å; L158-P169 WeakPolarHBondContact O-CD 3.43Å; L158-P169 WeakPolarHBondContact O-CG 3.21Å; E160-P169 WeakPolarHBondContact O-CD 3.24Å; P169-V172 PolarHBondContact O-N 2.94Å; P169-A173 PolarHBondContact O-N 3.27Å |
| 170 | L | 95.4 | Very high | 90.6 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.5 | -41.4 | 174 | 179.9 | 60.2 | 0 | 0 | 0 | 112.4 | T168 V172 A173 I174 V182 L185 V186 I191 A193 V203 | T168-L170 PolarHBondContact O-N 2.87Å; T168-L170 VanDerWaalsContact O-N 3.15Å; L170-V172 VanDerWaalsContact C-N 3.34Å; L170-A173 PolarHBondContact O-N 2.93Å; L170-I174 HydrophobicContact CD1-CD1 4.26Å; L170-I174 HydrophobicContact CG-CD1 3.98Å; L170-I174 VanDerWaalsContact O-CG1 3.29Å; L170-I174 WeakPolarHBondContact O-CG1 3.49Å; L170-I174 PolarHBondContact O-N 2.95Å; L170-V182 HydrophobicContact CD1-CG1 4.38Å; L170-L185 HydrophobicContact CD1-CB 4.03Å; L170-L185 HydrophobicContact CD1-CD1 4.35Å; L170-V186 HydrophobicContact CD1-CG1 4Å; L170-I191 HydrophobicContact CB-CD1 4.29Å; L170-I191 HydrophobicContact CD2-CD1 4.39Å; L170-I191 HydrophobicContact CD2-CG1 4.02Å; L170-A193 HydrophobicContact CD2-CB 3.76Å; L170-V203 HydrophobicContact CD2-CG1 4.15Å |
| 171 | R | 93.6 | Very high | 90.8 | Very high | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.008 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.3 | -34.6 | 176.9 | -64.8 | -176.1 | -175.1 | 147.6 | 11 | 112.5 | G166 L167 T168 I174 K175 E195 K196 V203 L206 | G166-R171 PolarHBondContact O-NH1 3.12Å; L167-R171 HydrophobicContact CB-CB 4.43Å; L167-R171 HydrophobicContact CD2-CB 3.84Å; T168-R171 WeakPolarHBondContact O-CA 3.3Å; T168-R171 PolarHBondContact O-N 3.32Å; R171-I174 PolarHBondContact O-N 2.99Å; R171-K175 WeakPolarHBondContact O-CB 3.45Å; R171-K175 PolarHBondContact O-N 3.32Å; R171-E195 VanDerWaalsContact NH2-CB 3.29Å; R171-E195 PolarHBondContact NH2-O 3.43Å; R171-K196 VanDerWaalsContact CZ-C 3.45Å; R171-K196 VanDerWaalsContact CZ-O 3.29Å; R171-K196 VanDerWaalsContact NH1-C 3.33Å; R171-K196 PolarHBondContact NH1-O 3.37Å; R171-K196 VanDerWaalsContact NH2-CA 3.34Å; R171-K196 VanDerWaalsContact NH2-N 3.1Å; R171-K196 PolarHBondContact NH2-O 3.16Å; R171-V203 HydrophobicContact CG-CG1 4.44Å; R171-L206 HydrophobicContact CB-CD1 4.02Å; R171-L206 HydrophobicContact CG-CD1 3.71Å |
| 172 | V | 93.4 | Very high | 91.2 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.006 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58 | -53 | 172 | 174.8 | 0 | 0 | 0 | 0 | 109.4 | W134 A141 A142 L167 T168 P169 L170 I174 K175 E176 | W134-V172 HydrophobicContact CH2-CG1 3.99Å; W134-V172 HydrophobicContact CH2-CG2 4.22Å; W134-V172 HydrophobicContact CZ2-CG1 4.45Å; W134-V172 HydrophobicContact CZ2-CG2 3.88Å; W134-V172 HydrophobicContact CZ3-CG1 4.45Å; A141-V172 HydrophobicContact CB-CB 4.2Å; A141-V172 HydrophobicContact CB-CG1 4.14Å; A142-V172 HydrophobicContact CB-CG1 3.77Å; L167-V172 HydrophobicContact CB-CG2 4.12Å; L167-V172 HydrophobicContact CD1-CG2 3.97Å; T168-V172 PolarHBondContact O-N 3.21Å; P169-V172 PolarHBondContact O-N 2.94Å; L170-V172 VanDerWaalsContact C-N 3.34Å; V172-I174 VanDerWaalsContact C-N 3.32Å; V172-I174 PolarHBondContact O-N 3.35Å; V172-K175 PolarHBondContact O-N 3.41Å; V172-K175 VanDerWaalsContact O-N 3.13Å; V172-E176 HydrophobicContact CG1-CG 4.39Å; V172-E176 WeakPolarHBondContact O-CG 3.48Å; V172-E176 PolarHBondContact O-N 3.34Å |
| 173 | A | 95.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.008 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59 | -38.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | P169 L170 N177 D178 T181 V182 L185 | P169-A173 PolarHBondContact O-N 3.27Å; L170-A173 PolarHBondContact O-N 2.93Å; A173-N177 PolarHBondContact O-N 3.32Å; A173-D178 PolarHBondContact O-N 3.21Å; A173-T181 HydrophobicContact CB-CG2 3.78Å; A173-V182 HydrophobicContact CB-CG2 3.81Å; A173-L185 HydrophobicContact CB-CD1 4.01Å |
| 174 | I | 95.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.2 | -43.2 | 175.2 | -66.8 | 163.9 | 0 | 0 | 0 | 111.7 | L170 R171 V172 N177 V182 V203 L206 A207 N210 I215 L219 | L170-I174 HydrophobicContact CD1-CD1 4.26Å; L170-I174 HydrophobicContact CG-CD1 3.98Å; L170-I174 VanDerWaalsContact O-CG1 3.29Å; L170-I174 WeakPolarHBondContact O-CG1 3.49Å; L170-I174 PolarHBondContact O-N 2.95Å; R171-I174 PolarHBondContact O-N 2.99Å; V172-I174 VanDerWaalsContact C-N 3.32Å; V172-I174 PolarHBondContact O-N 3.35Å; I174-N177 WeakPolarHBondContact O-CA 3.47Å; I174-N177 PolarHBondContact O-N 3.06Å; I174-N177 VanDerWaalsContact O-N 3.07Å; I174-V182 HydrophobicContact CB-CG2 4.5Å; I174-V182 HydrophobicContact CG1-CG2 3.69Å; I174-V203 HydrophobicContact CD1-CB 3.67Å; I174-V203 HydrophobicContact CD1-CG1 3.78Å; I174-L206 HydrophobicContact CG2-CB 3.75Å; I174-A207 HydrophobicContact CG2-CB 4.13Å; I174-N210 PolarHBondContact O-ND2 3.14Å; I174-N210 VanDerWaalsContact O-ND2 3.15Å; I174-I215 HydrophobicContact CG1-CG2 4.04Å; I174-I215 HydrophobicContact CG2-CG2 4.21Å; I174-L219 HydrophobicContact CD1-CD1 4.04Å; I174-L219 HydrophobicContact CD1-CD2 4.17Å |
| 175 | K | 91.9 | Very high | 93 | Very high | 118 Ų | 118 | 31.8 Ų | 31.8 | 51% | 0.513 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -68.9 | -40.5 | -176.7 | -172.8 | 172.6 | -176.6 | 171.7 | 0 | 112.1 | L167 R171 V172 N177 N210 | L167-K175 HydrophobicContact CD1-CD 4.26Å; L167-K175 HydrophobicContact CD2-CD 4.36Å; R171-K175 WeakPolarHBondContact O-CB 3.45Å; R171-K175 PolarHBondContact O-N 3.32Å; V172-K175 PolarHBondContact O-N 3.41Å; V172-K175 VanDerWaalsContact O-N 3.13Å; K175-N177 PolarHBondContact O-N 2.81Å; K175-N210 PolarHBondContact O-ND2 2.84Å |
| 176 | E | 92.2 | Very high | 93.7 | Very high | 119 Ų | 119 | 30.7 Ų | 30.7 | 56% | 0.556 | 14% | 0.141 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -2 | 171 | -57.3 | -55.2 | 132.1 | 0 | 0 | 113 | V172 D178 | V172-E176 HydrophobicContact CG1-CG 4.39Å; V172-E176 WeakPolarHBondContact O-CG 3.48Å; V172-E176 PolarHBondContact O-N 3.34Å; E176-D178 VanDerWaalsContact C-N 3.28Å; E176-D178 PolarHBondContact O-N 3.06Å |
| 177 | N | 94.7 | Very high | 94.4 | Very high | 65 Ų | 65 | 34.1 Ų | 34.1 | 35% | 0.348 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 32.7 | -178.6 | -168.1 | 49.7 | 0 | 0 | 0 | 114.3 | A173 I174 K175 E179 S212 I215 | A173-N177 PolarHBondContact O-N 3.32Å; I174-N177 WeakPolarHBondContact O-CA 3.47Å; I174-N177 PolarHBondContact O-N 3.06Å; I174-N177 VanDerWaalsContact O-N 3.07Å; K175-N177 PolarHBondContact O-N 2.81Å; N177-E179 PolarHBondContact O-N 3.14Å; N177-E179 VanDerWaalsContact O-N 3.11Å; N177-S212 WeakPolarHBondContact OD1-CB 3.38Å; N177-S212 PolarHBondContact OD1-OG 3.14Å; N177-I215 HydrophobicContact CB-CD1 4.49Å; N177-I215 VanDerWaalsContact OD1-CD1 3.26Å; N177-I215 WeakPolarHBondContact OD1-CD1 3.3Å |
| 178 | D | 95.5 | Very high | 94.5 | Very high | 28 Ų | 28 | 34.8 Ų | 34.8 | 15% | 0.15 | 17% | 0.173 | C | C | . | . | trans | -82.1 | 88.6 | 177.9 | -172.7 | -16.4 | 0 | 0 | 0 | 111 | S144 A173 E176 E180 T181 V182 | S144-D178 WeakPolarHBondContact CB-OD2 3.48Å; S144-D178 PolarHBondContact OG-OD2 2.93Å; A173-D178 PolarHBondContact O-N 3.21Å; E176-D178 VanDerWaalsContact C-N 3.28Å; E176-D178 PolarHBondContact O-N 3.06Å; D178-E180 PolarHBondContact O-N 2.71Å; D178-E180 VanDerWaalsContact O-N 3.15Å; D178-E180 PolarHBondContact OD1-N 3.13Å; D178-T181 VanDerWaalsContact CG-CB 3.4Å; D178-T181 PolarHBondContact O-N 3.13Å; D178-T181 PolarHBondContact OD1-N 3.18Å; D178-T181 PolarHBondContact OD1-OG1 3.1Å; D178-T181 WeakPolarHBondContact OD2-CB 3.17Å; D178-T181 PolarHBondContact OD2-OG1 3.37Å; D178-V182 WeakPolarHBondContact O-CB 3.38Å; D178-V182 WeakPolarHBondContact O-CG2 3.24Å; D178-V182 PolarHBondContact O-N 3.39Å | ||
| 179 | E | 95.7 | Very high | 94.1 | Very high | 48 Ų | 48 | 43.1 Ų | 43.1 | 22% | 0.224 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -51 | -33.7 | 175.9 | -57.9 | 174.8 | -166 | 0 | 0 | 113.8 | N177 R183 K214 I215 L218 | N177-E179 PolarHBondContact O-N 3.14Å; N177-E179 VanDerWaalsContact O-N 3.11Å; E179-R183 WeakPolarHBondContact O-CB 3.21Å; E179-R183 PolarHBondContact O-N 3.45Å; E179-R183 VanDerWaalsContact O-N 3.09Å; E179-K214 HydrophobicContact CG-CD 4.29Å; E179-K214 VanDerWaalsContact OE1-CD 3.28Å; E179-K214 WeakPolarHBondContact OE1-CD 3.42Å; E179-K214 IonicContact OE1-NZ 2.9Å; E179-K214 PolarHBondContact OE1-NZ 2.71Å; E179-K214 WeakPolarHBondContact OE2-CD 3.28Å; E179-K214 WeakPolarHBondContact OE2-CE 3.33Å; E179-K214 IonicContact OE2-NZ 3.06Å; E179-K214 PolarHBondContact OE2-NZ 3.32Å; E179-I215 HydrophobicContact CG-CG1 4.23Å; E179-L218 WeakPolarHBondContact O-CD1 3.42Å |
| 180 | E | 96 | Very high | 93.8 | Very high | 79 Ų | 79 | 46.5 Ų | 46.5 | 37% | 0.369 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -84.6 | -38.8 | -173.7 | -66.4 | -61.6 | 130.2 | 0 | 0 | 111.5 | D178 R183 F184 | D178-E180 PolarHBondContact O-N 2.71Å; D178-E180 VanDerWaalsContact O-N 3.15Å; D178-E180 PolarHBondContact OD1-N 3.13Å; E180-R183 PolarHBondContact O-N 2.98Å; E180-R183 IonicContact OE1-CZ 3.07Å; E180-R183 IonicContact OE1-NH1 3.94Å; E180-R183 PolarHBondContact OE1-NH1 3.36Å; E180-R183 IonicContact OE1-NH2 3.31Å; E180-R183 PolarHBondContact OE1-NH2 3.19Å; E180-R183 IonicContact OE2-CZ 3.23Å; E180-R183 IonicContact OE2-NH1 2.72Å; E180-R183 PolarHBondContact OE2-NH1 3.27Å; E180-F184 PolarHBondContact O-N 3.35Å |
| 181 | T | 95.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -72.7 | -37.6 | 173.5 | -60.7 | 0 | 0 | 0 | 0 | 111.1 | S144 R146 A173 D178 F184 L185 | S144-T181 WeakPolarHBondContact CA-OG1 3.48Å; R146-T181 WeakPolarHBondContact CD-OG1 3.44Å; R146-T181 HydrophobicContact CG-CG2 4.07Å; R146-T181 WeakPolarHBondContact CG-OG1 3.43Å; A173-T181 HydrophobicContact CB-CG2 3.78Å; D178-T181 VanDerWaalsContact CG-CB 3.4Å; D178-T181 PolarHBondContact O-N 3.13Å; D178-T181 PolarHBondContact OD1-N 3.18Å; D178-T181 PolarHBondContact OD1-OG1 3.1Å; D178-T181 WeakPolarHBondContact OD2-CB 3.17Å; D178-T181 PolarHBondContact OD2-OG1 3.37Å; T181-F184 PolarHBondContact O-N 3.37Å; T181-L185 HydrophobicContact CG2-CD1 3.85Å; T181-L185 HydrophobicContact CG2-CG 4.21Å; T181-L185 WeakPolarHBondContact O-CB 3.2Å; T181-L185 VanDerWaalsContact O-CG 3.24Å; T181-L185 WeakPolarHBondContact O-CG 3.21Å; T181-L185 PolarHBondContact O-N 2.83Å |
| 182 | V | 96.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.4 | -50.1 | 168.7 | 172.8 | 0 | 0 | 0 | 0 | 110.5 | L170 A173 I174 D178 F184 L185 V186 I215 L218 | L170-V182 HydrophobicContact CD1-CG1 4.38Å; A173-V182 HydrophobicContact CB-CG2 3.81Å; I174-V182 HydrophobicContact CB-CG2 4.5Å; I174-V182 HydrophobicContact CG1-CG2 3.69Å; D178-V182 WeakPolarHBondContact O-CB 3.38Å; D178-V182 WeakPolarHBondContact O-CG2 3.24Å; D178-V182 PolarHBondContact O-N 3.39Å; V182-F184 PolarHBondContact O-N 3.48Å; V182-L185 PolarHBondContact O-N 2.87Å; V182-V186 HydrophobicContact CG1-CG1 4.05Å; V182-V186 WeakPolarHBondContact O-CG1 3.48Å; V182-V186 WeakPolarHBondContact O-CG2 3.45Å; V182-V186 PolarHBondContact O-N 2.7Å; V182-I215 HydrophobicContact CG1-CG2 4.27Å; V182-I215 HydrophobicContact CG2-CD1 4.27Å; V182-I215 HydrophobicContact CG2-CG1 4.49Å; V182-I215 HydrophobicContact CG2-CG2 4.35Å; V182-L218 HydrophobicContact CG1-CB 4.36Å; V182-L218 HydrophobicContact CG1-CD1 4.49Å |
| 183 | R | 96.4 | Very high | 93.3 | Very high | 99 Ų | 99 | 53.3 Ų | 53.3 | 37% | 0.374 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -57.1 | -38.9 | 179 | -169.1 | 178.7 | -44.5 | 119.9 | 17.1 | 112.6 | E179 E180 A187 L218 | E179-R183 WeakPolarHBondContact O-CB 3.21Å; E179-R183 PolarHBondContact O-N 3.45Å; E179-R183 VanDerWaalsContact O-N 3.09Å; E180-R183 PolarHBondContact O-N 2.98Å; E180-R183 IonicContact OE1-CZ 3.07Å; E180-R183 IonicContact OE1-NH1 3.94Å; E180-R183 PolarHBondContact OE1-NH1 3.36Å; E180-R183 IonicContact OE1-NH2 3.31Å; E180-R183 PolarHBondContact OE1-NH2 3.19Å; E180-R183 IonicContact OE2-CZ 3.23Å; E180-R183 IonicContact OE2-NH1 2.72Å; E180-R183 PolarHBondContact OE2-NH1 3.27Å; R183-A187 WeakPolarHBondContact O-CB 3.45Å; R183-L218 HydrophobicContact CB-CD1 3.93Å; R183-L218 HydrophobicContact CB-CD2 4.15Å; R183-L218 HydrophobicContact CG-CD2 3.85Å |
| 184 | F | 95.2 | Very high | 92.7 | Very high | 61 Ų | 61 | 57.4 Ų | 57.4 | 27% | 0.268 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -67.4 | -47.3 | 177.4 | -164.8 | -83.8 | 0 | 0 | 0 | 111.9 | R146 F149 L150 E180 T181 V182 A187 L188 | R146-F184 HydrophobicContact CB-CB 4.16Å; R146-F184 HydrophobicContact CB-CD1 4.02Å; R146-F184 HydrophobicContact CB-CD2 3.86Å; R146-F184 HydrophobicContact CB-CE1 4.4Å; R146-F184 HydrophobicContact CB-CE2 4.24Å; R146-F184 HydrophobicContact CB-CG 3.73Å; R146-F184 HydrophobicContact CB-CZ 4.49Å; R146-F184 HydrophobicContact CG-CB 3.86Å; R146-F184 HydrophobicContact CG-CD1 4.47Å; R146-F184 HydrophobicContact CG-CD2 4.44Å; R146-F184 HydrophobicContact CG-CG 4.02Å; R146-F184 WeakPolarHBondContact O-CE1 3.39Å; R146-F184 WeakPolarHBondContact O-CZ 3.44Å; F149-F184 HydrophobicContact CB-CE1 4.14Å; L150-F184 HydrophobicContact CD1-CZ 4.18Å; L150-F184 HydrophobicContact CD2-CE1 4.26Å; L150-F184 HydrophobicContact CD2-CZ 3.85Å; L150-F184 HydrophobicContact CG-CE1 4.41Å; L150-F184 HydrophobicContact CG-CZ 3.85Å; E180-F184 PolarHBondContact O-N 3.35Å; T181-F184 PolarHBondContact O-N 3.37Å; V182-F184 PolarHBondContact O-N 3.48Å; F184-A187 PolarHBondContact O-N 2.84Å; F184-L188 HydrophobicContact CE1-CD2 4.39Å |
| 185 | L | 95.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -68.4 | -37.6 | -176.8 | -66.9 | 172.8 | 0 | 0 | 0 | 112.9 | F149 L158 L170 A173 T181 V182 A187 L188 I191 | F149-L185 HydrophobicContact CD1-CD2 3.73Å; F149-L185 HydrophobicContact CD2-CD2 4.1Å; F149-L185 HydrophobicContact CE1-CD2 3.64Å; F149-L185 HydrophobicContact CE2-CD2 4.03Å; F149-L185 HydrophobicContact CG-CD2 3.94Å; F149-L185 HydrophobicContact CZ-CD2 3.79Å; L158-L185 HydrophobicContact CD1-CD2 3.58Å; L170-L185 HydrophobicContact CD1-CB 4.03Å; L170-L185 HydrophobicContact CD1-CD1 4.35Å; A173-L185 HydrophobicContact CB-CD1 4.01Å; T181-L185 HydrophobicContact CG2-CD1 3.85Å; T181-L185 HydrophobicContact CG2-CG 4.21Å; T181-L185 WeakPolarHBondContact O-CB 3.2Å; T181-L185 VanDerWaalsContact O-CG 3.24Å; T181-L185 WeakPolarHBondContact O-CG 3.21Å; T181-L185 PolarHBondContact O-N 2.83Å; V182-L185 PolarHBondContact O-N 2.87Å; L185-A187 PolarHBondContact O-N 3.31Å; L185-L188 HydrophobicContact CD2-CD1 4.31Å; L185-L188 PolarHBondContact O-N 2.72Å; L185-I191 HydrophobicContact CB-CD1 4.36Å; L185-I191 WeakPolarHBondContact O-CB 3.43Å; L185-I191 WeakPolarHBondContact O-CG1 3.3Å |
| 186 | V | 94.5 | Very high | 92 | Very high | 9 Ų | 9 | 58.9 Ų | 58.9 | 6% | 0.055 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -10.9 | 177.6 | -54.4 | 0 | 0 | 0 | 0 | 113.7 | L170 V182 L219 N222 L223 | L170-V186 HydrophobicContact CD1-CG1 4Å; V182-V186 HydrophobicContact CG1-CG1 4.05Å; V182-V186 WeakPolarHBondContact O-CG1 3.48Å; V182-V186 WeakPolarHBondContact O-CG2 3.45Å; V182-V186 PolarHBondContact O-N 2.7Å; V186-L219 HydrophobicContact CG1-CD2 4.05Å; V186-N222 HydrophobicContact CB-CB 4.3Å; V186-N222 HydrophobicContact CG2-CB 3.99Å; V186-L223 HydrophobicContact CB-CD1 4.32Å; V186-L223 HydrophobicContact CB-CD2 4.26Å; V186-L223 HydrophobicContact CB-CG 4.29Å; V186-L223 HydrophobicContact CG1-CD1 3.88Å; V186-L223 HydrophobicContact CG1-CG 4.36Å |
| 187 | A | 93.1 | Very high | 91.8 | Very high | 71 Ų | 71 | 54.4 Ų | 54.4 | 59% | 0.587 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | 5.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | R183 F184 L185 | R183-A187 WeakPolarHBondContact O-CB 3.45Å; F184-A187 PolarHBondContact O-N 2.84Å; L185-A187 PolarHBondContact O-N 3.31Å |
| 188 | L | 91.5 | Very high | 91.5 | Very high | 24 Ų | 24 | 57.5 Ų | 57.5 | 13% | 0.126 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -95.5 | 122.7 | 175.3 | -59.7 | 175.8 | 0 | 0 | 0 | 110.1 | F149 L150 L158 F184 L185 N190 I191 | F149-L188 HydrophobicContact CB-CD1 4.23Å; L150-L188 HydrophobicContact CD2-CD2 4.35Å; L158-L188 HydrophobicContact CD1-CD1 3.84Å; L158-L188 HydrophobicContact CD2-CB 4.25Å; L158-L188 HydrophobicContact CD2-CD1 3.93Å; F184-L188 HydrophobicContact CE1-CD2 4.39Å; L185-L188 HydrophobicContact CD2-CD1 4.31Å; L185-L188 PolarHBondContact O-N 2.72Å; L188-N190 PolarHBondContact O-N 3.39Å; L188-I191 WeakPolarHBondContact O-CB 3.45Å; L188-I191 VanDerWaalsContact O-CG2 3.28Å; L188-I191 WeakPolarHBondContact O-CG2 3.45Å; L188-I191 PolarHBondContact O-N 3.11Å |
| 189 | D | 84.1 | Confident | 91.2 | Very high | 180 Ų | 180 | 60.1 Ų | 60.1 | 96% | 0.963 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -22 | -175 | -67.2 | -39.1 | 0 | 0 | 0 | 115 | ||
| 190 | N | 87.5 | Confident | 91 | Very high | 70 Ų | 70 | 58 Ų | 58 | 37% | 0.374 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | 10.6 | -176.1 | 67.8 | -34.1 | 0 | 0 | 0 | 114.7 | N155 L158 N159 L188 | N155-N190 PolarHBondContact OD1-ND2 3.03Å; L158-N190 VanDerWaalsContact CD2-OD1 3.26Å; L158-N190 WeakPolarHBondContact CD2-OD1 3.48Å; N159-N190 PolarHBondContact ND2-O 2.87Å; L188-N190 PolarHBondContact O-N 3.39Å |
| 191 | I | 91.8 | Very high | 90.8 | Very high | 27 Ų | 27 | 55 Ų | 55 | 14% | 0.138 | 29% | 0.287 | C | S | . | . | trans | -68.4 | 139 | 178.2 | -164.7 | 64.8 | 0 | 0 | 0 | 112.5 | L158 L170 L185 L188 L223 | L158-I191 HydrophobicContact CD1-CD1 3.85Å; L158-I191 HydrophobicContact CD2-CB 4.45Å; L158-I191 HydrophobicContact CD2-CD1 3.98Å; L158-I191 HydrophobicContact CG-CD1 3.75Å; L170-I191 HydrophobicContact CB-CD1 4.29Å; L170-I191 HydrophobicContact CD2-CD1 4.39Å; L170-I191 HydrophobicContact CD2-CG1 4.02Å; L185-I191 HydrophobicContact CB-CD1 4.36Å; L185-I191 WeakPolarHBondContact O-CB 3.43Å; L185-I191 WeakPolarHBondContact O-CG1 3.3Å; L188-I191 WeakPolarHBondContact O-CB 3.45Å; L188-I191 VanDerWaalsContact O-CG2 3.28Å; L188-I191 WeakPolarHBondContact O-CG2 3.45Å; L188-I191 PolarHBondContact O-N 3.11Å; I191-L223 HydrophobicContact CG2-CD2 3.9Å | ||
| 192 | K | 90.1 | Very high | 90.7 | Very high | 108 Ų | 108 | 55.4 Ų | 55.4 | 47% | 0.47 | 29% | 0.29 | S | S | . | . | trans | -111.3 | 133.4 | 171.7 | -64.4 | -174.8 | -172 | 172.6 | 0 | 110.8 | N159 E195 | N159-K192 HydrophobicContact CB-CB 4.25Å; N159-K192 HydrophobicContact CB-CD 4.04Å; N159-K192 HydrophobicContact CB-CG 4.17Å; N159-K192 WeakPolarHBondContact OD1-CB 3.47Å; N159-K192 PolarHBondContact OD1-N 3.37Å; K192-E195 VanDerWaalsContact CD-OE1 3.32Å; K192-E195 WeakPolarHBondContact CD-OE1 3.5Å | ||
| 193 | A | 90 | Very high | 90.6 | Very high | 12 Ų | 12 | 55.5 Ų | 55.5 | 10% | 0.099 | 29% | 0.29 | C | S | . | . | trans | -138.3 | -3.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L170 V203 L223 L226 | L170-A193 HydrophobicContact CD2-CB 3.76Å; A193-V203 HydrophobicContact CB-CG1 4.15Å; A193-V203 HydrophobicContact CB-CG2 4.11Å; A193-L223 HydrophobicContact CB-CD1 3.62Å; A193-L226 HydrophobicContact CB-CD2 3.81Å | ||
| 194 | S | 84.2 | Confident | 90.6 | Very high | 88 Ų | 88 | 50.8 Ų | 50.8 | 62% | 0.615 | 27% | 0.273 | S | S | * | . | trans | -83.3 | -9.1 | -178 | 50.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 195 | E | 83.9 | Confident | 90.5 | Very high | 56 Ų | 56 | 48 Ų | 48 | 26% | 0.262 | 26% | 0.26 | S | S | . | . | trans | -68.3 | 160.2 | 177.2 | -65.3 | 167.6 | -166.9 | 0 | 0 | 110.9 | R171 K192 | R171-E195 VanDerWaalsContact NH2-CB 3.29Å; R171-E195 PolarHBondContact NH2-O 3.43Å; K192-E195 VanDerWaalsContact CD-OE1 3.32Å; K192-E195 WeakPolarHBondContact CD-OE1 3.5Å | ||
| 196 | K | 88.5 | Confident | 90.5 | Very high | 93 Ų | 93 | 49.5 Ų | 49.5 | 40% | 0.404 | 27% | 0.268 | S | S | . | . | trans | -109.1 | 160.5 | 174.2 | -68 | 179.5 | 172.7 | -168.4 | 0 | 113.1 | R171 G200 N201 T202 L231 | R171-K196 VanDerWaalsContact CZ-C 3.45Å; R171-K196 VanDerWaalsContact CZ-O 3.29Å; R171-K196 VanDerWaalsContact NH1-C 3.33Å; R171-K196 PolarHBondContact NH1-O 3.37Å; R171-K196 VanDerWaalsContact NH2-CA 3.34Å; R171-K196 VanDerWaalsContact NH2-N 3.1Å; R171-K196 PolarHBondContact NH2-O 3.16Å; K196-G200 WeakPolarHBondContact CD-O 3.4Å; K196-G200 WeakPolarHBondContact CG-O 3.46Å; K196-N201 WeakPolarHBondContact CA-O 3.32Å; K196-T202 HydrophobicContact CG-CG2 4.16Å; K196-L231 PolarHBondContact NZ-O 3.33Å | ||
| 197 | D | 88.2 | Confident | 90.5 | Very high | 25 Ų | 25 | 49 Ų | 49 | 13% | 0.134 | 27% | 0.266 | C | S | . | . | trans | -90.6 | -173.4 | 168.4 | 72.7 | 4.8 | 0 | 0 | 0 | 111.7 | G166 D199 G200 N201 | G166-D197 WeakPolarHBondContact O-CB 3.29Å; D197-D199 VanDerWaalsContact C-N 3.27Å; D197-D199 PolarHBondContact O-N 3.3Å; D197-D199 WeakPolarHBondContact OD1-CA 3.36Å; D197-D199 WeakPolarHBondContact OD1-CB 3.41Å; D197-D199 PolarHBondContact OD1-N 3.25Å; D197-G200 PolarHBondContact O-N 3.46Å; D197-G200 PolarHBondContact OD1-N 2.93Å; D197-N201 PolarHBondContact N-O 2.79Å; D197-N201 VanDerWaalsContact N-O 3.09Å; D197-N201 VanDerWaalsContact OD1-CB 3.32Å; D197-N201 WeakPolarHBondContact OD1-CB 3.4Å; D197-N201 PolarHBondContact OD1-N 3Å; D197-N201 PolarHBondContact OD1-ND2 2.84Å; D197-N201 WeakPolarHBondContact OD2-CB 3.41Å; D197-N201 PolarHBondContact OD2-ND2 2.84Å | ||
| 198 | E | 87.7 | Confident | 90.6 | Very high | 130 Ų | 130 | 45.8 Ų | 45.8 | 61% | 0.607 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -27.8 | 179.6 | -60.1 | -169.1 | 141.5 | 0 | 0 | 113.6 | G200 N233 | E198-G200 VanDerWaalsContact C-N 3.26Å; E198-N233 PolarHBondContact O-ND2 3.46Å |
| 199 | D | 89.6 | Confident | 90.5 | Very high | 82 Ų | 82 | 47.2 Ų | 47.2 | 44% | 0.439 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | 0.5 | 173.4 | -98 | -26.8 | 0 | 0 | 0 | 111.8 | D197 N201 N233 | D197-D199 VanDerWaalsContact C-N 3.27Å; D197-D199 PolarHBondContact O-N 3.3Å; D197-D199 WeakPolarHBondContact OD1-CA 3.36Å; D197-D199 WeakPolarHBondContact OD1-CB 3.41Å; D197-D199 PolarHBondContact OD1-N 3.25Å; D199-N201 VanDerWaalsContact C-N 3.31Å; D199-N201 WeakPolarHBondContact CB-ND2 3.47Å; D199-N201 PolarHBondContact O-N 3.17Å; D199-N233 VanDerWaalsContact C-CG 3.44Å; D199-N233 VanDerWaalsContact C-ND2 3.33Å; D199-N233 VanDerWaalsContact O-CB 3.24Å; D199-N233 WeakPolarHBondContact O-CB 3.3Å; D199-N233 PolarHBondContact O-N 3.48Å |
| 200 | G | 90.8 | Very high | 90.6 | Very high | 3 Ų | 3 | 42 Ų | 42 | 3% | 0.031 | 23% | 0.231 | C | C | . | . | trans | 79.9 | 5.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | K196 D197 E198 N232 N233 | K196-G200 WeakPolarHBondContact CD-O 3.4Å; K196-G200 WeakPolarHBondContact CG-O 3.46Å; D197-G200 PolarHBondContact O-N 3.46Å; D197-G200 PolarHBondContact OD1-N 2.93Å; E198-G200 VanDerWaalsContact C-N 3.26Å; G200-N232 WeakPolarHBondContact O-CA 3.49Å; G200-N233 WeakPolarHBondContact CA-OD1 3.44Å; G200-N233 PolarHBondContact N-ND2 3.24Å | ||
| 201 | N | 92.9 | Very high | 90.6 | Very high | 17 Ų | 17 | 41.8 Ų | 41.8 | 9% | 0.091 | 23% | 0.232 | C | C | . | . | trans | -70.2 | 134.6 | -176.4 | -58.4 | -55.6 | 0 | 0 | 0 | 111.6 | K196 D197 D199 H205 L206 N232 | K196-N201 WeakPolarHBondContact CA-O 3.32Å; D197-N201 PolarHBondContact N-O 2.79Å; D197-N201 VanDerWaalsContact N-O 3.09Å; D197-N201 VanDerWaalsContact OD1-CB 3.32Å; D197-N201 WeakPolarHBondContact OD1-CB 3.4Å; D197-N201 PolarHBondContact OD1-N 3Å; D197-N201 PolarHBondContact OD1-ND2 2.84Å; D197-N201 WeakPolarHBondContact OD2-CB 3.41Å; D197-N201 PolarHBondContact OD2-ND2 2.84Å; D199-N201 VanDerWaalsContact C-N 3.31Å; D199-N201 WeakPolarHBondContact CB-ND2 3.47Å; D199-N201 PolarHBondContact O-N 3.17Å; N201-H205 HydrophobicContact CB-CB 3.79Å; N201-L206 HydrophobicContact CB-CD2 4.15Å; N201-L206 HydrophobicContact CB-CG 4.22Å; N201-N232 PolarHBondContact OD1-ND2 2.72Å | ||
| 202 | T | 93.4 | Very high | 90.6 | Very high | 9 Ų | 9 | 41 Ų | 41 | 6% | 0.055 | 23% | 0.229 | C | C | . | . | trans | -84.4 | 170.2 | 163.6 | 69.7 | 0 | 0 | 0 | 0 | 111 | K196 L204 H205 L206 A230 | K196-T202 HydrophobicContact CG-CG2 4.16Å; T202-L204 PolarHBondContact O-N 2.85Å; T202-H205 PolarHBondContact N-ND1 2.85Å; T202-H205 VanDerWaalsContact N-ND1 3.19Å; T202-H205 WeakPolarHBondContact O-CB 3.27Å; T202-H205 PolarHBondContact O-N 2.97Å; T202-H205 PolarHBondContact OG1-CE1 2.94Å; T202-H205 PolarHBondContact OG1-ND1 3.03Å; T202-L206 PolarHBondContact O-N 3.33Å; T202-A230 HydrophobicContact CG2-CB 3.68Å | ||
| 203 | V | 94.4 | Very high | 90.8 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -51.8 | -31.1 | 175.3 | -66.9 | 0 | 0 | 0 | 0 | 114.1 | L170 R171 I174 A193 L206 A207 L219 L226 | L170-V203 HydrophobicContact CD2-CG1 4.15Å; R171-V203 HydrophobicContact CG-CG1 4.44Å; I174-V203 HydrophobicContact CD1-CB 3.67Å; I174-V203 HydrophobicContact CD1-CG1 3.78Å; A193-V203 HydrophobicContact CB-CG1 4.15Å; A193-V203 HydrophobicContact CB-CG2 4.11Å; V203-L206 PolarHBondContact O-N 3.32Å; V203-A207 PolarHBondContact O-N 2.86Å; V203-A207 VanDerWaalsContact O-N 3.08Å; V203-L219 HydrophobicContact CB-CD1 4.08Å; V203-L219 HydrophobicContact CB-CD2 4.18Å; V203-L219 HydrophobicContact CG2-CD1 4.19Å; V203-L219 HydrophobicContact CG2-CD2 4.03Å; V203-L226 HydrophobicContact CG2-CD1 3.84Å; V203-L226 HydrophobicContact CG2-CD2 3.59Å; V203-L226 HydrophobicContact CG2-CG 4.4Å |
| 204 | L | 95.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.8 | -40.5 | 178.3 | -62.2 | 176.5 | 0 | 0 | 0 | 112.1 | T202 A207 L208 L216 L219 L220 L226 V228 P238 | T202-L204 PolarHBondContact O-N 2.85Å; L204-A207 PolarHBondContact O-N 3.39Å; L204-L208 WeakPolarHBondContact O-CD1 3.49Å; L204-L208 VanDerWaalsContact O-CG 3.23Å; L204-L208 WeakPolarHBondContact O-CG 3.41Å; L204-L208 PolarHBondContact O-N 3.19Å; L204-L216 HydrophobicContact CD2-CD1 3.9Å; L204-L219 HydrophobicContact CD2-CB 3.96Å; L204-L219 HydrophobicContact CD2-CD1 4.3Å; L204-L220 HydrophobicContact CD1-CD2 4.12Å; L204-L220 HydrophobicContact CD2-CD2 3.74Å; L204-L220 HydrophobicContact CD2-CG 4.04Å; L204-L226 HydrophobicContact CD1-CB 4.31Å; L204-L226 HydrophobicContact CD2-CD1 3.91Å; L204-L226 HydrophobicContact CG-CD1 4.16Å; L204-V228 HydrophobicContact CD1-CB 4.47Å; L204-V228 HydrophobicContact CD1-CG2 4.31Å; L204-P238 HydrophobicContact CB-CB 4.13Å; L204-P238 HydrophobicContact CB-CG 3.81Å; L204-P238 HydrophobicContact CD1-CG 4.31Å |
| 205 | H | 94.5 | Very high | 91.6 | Very high | 3 Ų | 3 | 38 Ų | 38 | 1% | 0.014 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.7 | -43.8 | 176 | -62.4 | 80.3 | 0 | 0 | 0 | 110.9 | N201 T202 L208 G209 A230 E236 P238 I241 | N201-H205 HydrophobicContact CB-CB 3.79Å; T202-H205 PolarHBondContact N-ND1 2.85Å; T202-H205 VanDerWaalsContact N-ND1 3.19Å; T202-H205 WeakPolarHBondContact O-CB 3.27Å; T202-H205 PolarHBondContact O-N 2.97Å; T202-H205 PolarHBondContact OG1-CE1 2.94Å; T202-H205 PolarHBondContact OG1-ND1 3.03Å; H205-L208 PolarHBondContact O-N 3.28Å; H205-G209 PolarHBondContact O-N 3.03Å; H205-A230 PolarHBondContact CE1-O 3.12Å; H205-A230 PolarHBondContact NE2-O 2.83Å; H205-E236 PolarHBondContact NE2-O 3.2Å; H205-P238 VanDerWaalsContact CE1-CD 3.49Å; H205-P238 WeakPolarHBondContact CE1-CD 3.3Å; H205-I241 HydrophobicContact CB-CD1 3.98Å |
| 206 | L | 93.4 | Very high | 92.2 | Very high | 31 Ų | 31 | 35.3 Ų | 35.3 | 16% | 0.162 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.4 | -40.9 | 179.9 | -63.8 | 174.8 | 0 | 0 | 0 | 112 | R171 I174 N201 T202 V203 L208 G209 | R171-L206 HydrophobicContact CB-CD1 4.02Å; R171-L206 HydrophobicContact CG-CD1 3.71Å; I174-L206 HydrophobicContact CG2-CB 3.75Å; N201-L206 HydrophobicContact CB-CD2 4.15Å; N201-L206 HydrophobicContact CB-CG 4.22Å; T202-L206 PolarHBondContact O-N 3.33Å; V203-L206 PolarHBondContact O-N 3.32Å; L206-L208 VanDerWaalsContact C-N 3.26Å; L206-L208 PolarHBondContact O-N 3.13Å; L206-G209 PolarHBondContact O-N 3.47Å |
| 207 | A | 94.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.3 | -34.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | I174 V203 L204 T211 S212 I215 L219 | I174-A207 HydrophobicContact CG2-CB 4.13Å; V203-A207 PolarHBondContact O-N 2.86Å; V203-A207 VanDerWaalsContact O-N 3.08Å; L204-A207 PolarHBondContact O-N 3.39Å; A207-T211 PolarHBondContact O-N 2.89Å; A207-S212 PolarHBondContact O-N 3.43Å; A207-I215 HydrophobicContact CB-CB 4.38Å; A207-I215 HydrophobicContact CB-CG2 3.66Å; A207-L219 HydrophobicContact CB-CD1 3.91Å |
| 208 | L | 95.6 | Very high | 92.9 | Very high | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -79 | -24.5 | 179 | -67.5 | 166.5 | 0 | 0 | 0 | 113.6 | L204 H205 L206 N210 T211 L216 P238 I241 A242 N245 C250 L254 | L204-L208 WeakPolarHBondContact O-CD1 3.49Å; L204-L208 VanDerWaalsContact O-CG 3.23Å; L204-L208 WeakPolarHBondContact O-CG 3.41Å; L204-L208 PolarHBondContact O-N 3.19Å; H205-L208 PolarHBondContact O-N 3.28Å; L206-L208 VanDerWaalsContact C-N 3.26Å; L206-L208 PolarHBondContact O-N 3.13Å; L208-N210 PolarHBondContact O-N 2.99Å; L208-T211 WeakPolarHBondContact O-CA 3.44Å; L208-T211 PolarHBondContact O-N 2.85Å; L208-L216 HydrophobicContact CD2-CD1 4.4Å; L208-L216 HydrophobicContact CD2-CD2 3.96Å; L208-L216 HydrophobicContact CG-CD1 4.4Å; L208-P238 HydrophobicContact CD1-CB 3.59Å; L208-P238 WeakPolarHBondContact CD1-O 3.4Å; L208-I241 HydrophobicContact CB-CB 4.26Å; L208-I241 HydrophobicContact CB-CG2 3.74Å; L208-I241 HydrophobicContact CD1-CB 4.48Å; L208-A242 HydrophobicContact CD1-CB 4.39Å; L208-A242 HydrophobicContact CD2-CB 4.02Å; L208-N245 PolarHBondContact O-ND2 3.14Å; L208-C250 HydrophobicContact CD2-CB 3.64Å; L208-L254 HydrophobicContact CD1-CD1 3.93Å; L208-L254 HydrophobicContact CD2-CD1 4.44Å |
| 209 | G | 90.2 | Very high | 93.3 | Very high | 54 Ų | 54 | 25.4 Ų | 25.4 | 56% | 0.557 | 15% | 0.149 | S | C | * | . | H | α-helix | trans | -58.3 | -38 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | H205 L206 T211 | H205-G209 PolarHBondContact O-N 3.03Å; L206-G209 PolarHBondContact O-N 3.47Å; G209-T211 VanDerWaalsContact C-N 3.34Å |
| 210 | N | 86 | Confident | 93.5 | Very high | 70 Ų | 70 | 22.8 Ų | 22.8 | 37% | 0.374 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 3.1 | 171.4 | -73.7 | -26.3 | 0 | 0 | 0 | 113.4 | I174 K175 L208 S212 | I174-N210 PolarHBondContact O-ND2 3.14Å; I174-N210 VanDerWaalsContact O-ND2 3.15Å; K175-N210 PolarHBondContact O-ND2 2.84Å; L208-N210 PolarHBondContact O-N 2.99Å; N210-S212 PolarHBondContact O-N 3.22Å; N210-S212 VanDerWaalsContact O-N 3.13Å |
| 211 | T | 86.5 | Confident | 93.6 | Very high | 67 Ų | 67 | 28.1 Ų | 28.1 | 41% | 0.411 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 27 | -172.4 | 58.3 | 0 | 0 | 0 | 0 | 114.8 | A207 L208 G209 V213 N245 | A207-T211 PolarHBondContact O-N 2.89Å; L208-T211 WeakPolarHBondContact O-CA 3.44Å; L208-T211 PolarHBondContact O-N 2.85Å; G209-T211 VanDerWaalsContact C-N 3.34Å; T211-V213 PolarHBondContact O-N 2.86Å; T211-N245 HydrophobicContact CG2-CB 3.78Å |
| 212 | S | 91.4 | Very high | 93.5 | Very high | 11 Ų | 11 | 31.3 Ų | 31.3 | 8% | 0.077 | 18% | 0.18 | C | C | . | . | trans | -83.9 | 85.9 | -166.1 | -168.1 | 0 | 0 | 0 | 0 | 112.2 | N177 A207 N210 K214 I215 L216 | N177-S212 WeakPolarHBondContact OD1-CB 3.38Å; N177-S212 PolarHBondContact OD1-OG 3.14Å; A207-S212 PolarHBondContact O-N 3.43Å; N210-S212 PolarHBondContact O-N 3.22Å; N210-S212 VanDerWaalsContact O-N 3.13Å; S212-K214 PolarHBondContact O-N 3.41Å; S212-K214 VanDerWaalsContact O-N 3.13Å; S212-I215 PolarHBondContact O-N 3.39Å; S212-I215 VanDerWaalsContact O-N 3.1Å; S212-I215 WeakPolarHBondContact OG-CG1 3.28Å; S212-L216 PolarHBondContact O-N 2.72Å | ||
| 213 | V | 94.8 | Very high | 93.4 | Very high | 30 Ų | 30 | 31.8 Ų | 31.8 | 18% | 0.182 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -49.1 | -39.6 | -179.9 | -172.4 | 0 | 0 | 0 | 0 | 112.7 | T211 S217 E249 K253 | T211-V213 PolarHBondContact O-N 2.86Å; V213-S217 WeakPolarHBondContact O-CB 3.32Å; V213-S217 PolarHBondContact O-N 3.4Å; V213-S217 PolarHBondContact O-OG 3.3Å; V213-E249 HydrophobicContact CG1-CB 4.12Å; V213-E249 VanDerWaalsContact CG1-CD 3.48Å; V213-E249 HydrophobicContact CG1-CG 3.79Å; V213-E249 WeakPolarHBondContact CG1-OE1 3.48Å; V213-E249 HydrophobicContact CG2-CB 4.37Å; V213-K253 HydrophobicContact CG1-CD 3.79Å |
| 214 | K | 95.6 | Very high | 92.6 | Very high | 114 Ų | 114 | 40.8 Ų | 40.8 | 50% | 0.496 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -71.9 | -43.8 | -179.2 | -61.3 | 171.6 | -175.5 | 169.4 | 0 | 112.2 | E179 S212 L216 S217 L218 | E179-K214 HydrophobicContact CG-CD 4.29Å; E179-K214 VanDerWaalsContact OE1-CD 3.28Å; E179-K214 WeakPolarHBondContact OE1-CD 3.42Å; E179-K214 IonicContact OE1-NZ 2.9Å; E179-K214 PolarHBondContact OE1-NZ 2.71Å; E179-K214 WeakPolarHBondContact OE2-CD 3.28Å; E179-K214 WeakPolarHBondContact OE2-CE 3.33Å; E179-K214 IonicContact OE2-NZ 3.06Å; E179-K214 PolarHBondContact OE2-NZ 3.32Å; S212-K214 PolarHBondContact O-N 3.41Å; S212-K214 VanDerWaalsContact O-N 3.13Å; K214-L216 VanDerWaalsContact C-N 3.32Å; K214-S217 WeakPolarHBondContact O-CB 3.35Å; K214-S217 PolarHBondContact O-N 2.92Å; K214-L218 VanDerWaalsContact O-CG 3.32Å; K214-L218 WeakPolarHBondContact O-CG 3.44Å; K214-L218 PolarHBondContact O-N 3.16Å |
| 215 | I | 96.2 | Very high | 92 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.3 | -43.1 | 175.3 | -69.6 | -178.2 | 0 | 0 | 0 | 109.7 | I174 N177 E179 V182 A207 S212 S217 L218 L219 | I174-I215 HydrophobicContact CG1-CG2 4.04Å; I174-I215 HydrophobicContact CG2-CG2 4.21Å; N177-I215 HydrophobicContact CB-CD1 4.49Å; N177-I215 VanDerWaalsContact OD1-CD1 3.26Å; N177-I215 WeakPolarHBondContact OD1-CD1 3.3Å; E179-I215 HydrophobicContact CG-CG1 4.23Å; V182-I215 HydrophobicContact CG1-CG2 4.27Å; V182-I215 HydrophobicContact CG2-CD1 4.27Å; V182-I215 HydrophobicContact CG2-CG1 4.49Å; V182-I215 HydrophobicContact CG2-CG2 4.35Å; A207-I215 HydrophobicContact CB-CB 4.38Å; A207-I215 HydrophobicContact CB-CG2 3.66Å; S212-I215 PolarHBondContact O-N 3.39Å; S212-I215 VanDerWaalsContact O-N 3.1Å; S212-I215 WeakPolarHBondContact OG-CG1 3.28Å; I215-S217 VanDerWaalsContact C-N 3.29Å; I215-S217 PolarHBondContact O-N 2.92Å; I215-L218 PolarHBondContact O-N 3.44Å; I215-L219 HydrophobicContact CG2-CD1 3.99Å; I215-L219 HydrophobicContact CG2-CG 4.46Å; I215-L219 VanDerWaalsContact O-CG 3.29Å; I215-L219 WeakPolarHBondContact O-CG 3.3Å; I215-L219 PolarHBondContact O-N 3.01Å |
| 216 | L | 96.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -55.9 | -43.9 | 172.4 | -179.8 | 70.6 | 0 | 0 | 0 | 111.8 | L204 L208 S212 K214 L219 L220 C250 K253 L254 | L204-L216 HydrophobicContact CD2-CD1 3.9Å; L208-L216 HydrophobicContact CD2-CD1 4.4Å; L208-L216 HydrophobicContact CD2-CD2 3.96Å; L208-L216 HydrophobicContact CG-CD1 4.4Å; S212-L216 PolarHBondContact O-N 2.72Å; K214-L216 VanDerWaalsContact C-N 3.32Å; L216-L219 PolarHBondContact O-N 3.25Å; L216-L220 HydrophobicContact CD1-CD1 4.01Å; L216-L220 HydrophobicContact CD1-CG 4.39Å; L216-L220 HydrophobicContact CG-CD1 3.94Å; L216-L220 WeakPolarHBondContact O-CB 3.36Å; L216-L220 VanDerWaalsContact O-CG 3.29Å; L216-L220 WeakPolarHBondContact O-CG 3.39Å; L216-L220 PolarHBondContact O-N 3.33Å; L216-C250 HydrophobicContact CD2-CB 3.72Å; L216-K253 HydrophobicContact CD2-CB 4.3Å; L216-L254 HydrophobicContact CD1-CD2 4.03Å; L216-L254 HydrophobicContact CD1-CG 4.49Å; L216-L254 HydrophobicContact CD2-CG 4.33Å |
| 217 | S | 95.3 | Very high | 91.9 | Very high | 16 Ų | 16 | 49.4 Ų | 49.4 | 11% | 0.112 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.7 | -51.2 | 175.7 | -52.3 | 0 | 0 | 0 | 0 | 111.3 | V213 K214 I215 L219 L220 D221 K253 | V213-S217 WeakPolarHBondContact O-CB 3.32Å; V213-S217 PolarHBondContact O-N 3.4Å; V213-S217 PolarHBondContact O-OG 3.3Å; K214-S217 WeakPolarHBondContact O-CB 3.35Å; K214-S217 PolarHBondContact O-N 2.92Å; I215-S217 VanDerWaalsContact C-N 3.29Å; I215-S217 PolarHBondContact O-N 2.92Å; S217-L219 PolarHBondContact O-N 3.3Å; S217-L220 PolarHBondContact O-N 2.97Å; S217-L220 VanDerWaalsContact O-N 3.15Å; S217-D221 VanDerWaalsContact O-CB 3.23Å; S217-D221 WeakPolarHBondContact O-CB 3.44Å; S217-D221 PolarHBondContact O-N 2.7Å; S217-D221 VanDerWaalsContact O-OD2 3.1Å; S217-K253 VanDerWaalsContact OG-CE 3.28Å; S217-K253 WeakPolarHBondContact OG-CE 3.23Å; S217-K253 PolarHBondContact OG-NZ 2.71Å |
| 218 | L | 95.4 | Very high | 91.9 | Very high | 23 Ų | 23 | 50.2 Ų | 50.2 | 12% | 0.12 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.1 | -36.8 | 179.2 | -70.5 | 170.5 | 0 | 0 | 0 | 112.7 | E179 V182 R183 K214 I215 N222 | E179-L218 WeakPolarHBondContact O-CD1 3.42Å; V182-L218 HydrophobicContact CG1-CB 4.36Å; V182-L218 HydrophobicContact CG1-CD1 4.49Å; R183-L218 HydrophobicContact CB-CD1 3.93Å; R183-L218 HydrophobicContact CB-CD2 4.15Å; R183-L218 HydrophobicContact CG-CD2 3.85Å; K214-L218 VanDerWaalsContact O-CG 3.32Å; K214-L218 WeakPolarHBondContact O-CG 3.44Å; K214-L218 PolarHBondContact O-N 3.16Å; I215-L218 PolarHBondContact O-N 3.44Å; L218-N222 WeakPolarHBondContact O-CB 3.36Å; L218-N222 PolarHBondContact O-N 2.85Å; L218-N222 PolarHBondContact O-ND2 2.77Å |
| 219 | L | 95.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.7 | -52.1 | 174.5 | -68.3 | 168.8 | 0 | 0 | 0 | 111.6 | I174 V186 V203 L204 A207 I215 L216 S217 L223 L226 | I174-L219 HydrophobicContact CD1-CD1 4.04Å; I174-L219 HydrophobicContact CD1-CD2 4.17Å; V186-L219 HydrophobicContact CG1-CD2 4.05Å; V203-L219 HydrophobicContact CB-CD1 4.08Å; V203-L219 HydrophobicContact CB-CD2 4.18Å; V203-L219 HydrophobicContact CG2-CD1 4.19Å; V203-L219 HydrophobicContact CG2-CD2 4.03Å; L204-L219 HydrophobicContact CD2-CB 3.96Å; L204-L219 HydrophobicContact CD2-CD1 4.3Å; A207-L219 HydrophobicContact CB-CD1 3.91Å; I215-L219 HydrophobicContact CG2-CD1 3.99Å; I215-L219 HydrophobicContact CG2-CG 4.46Å; I215-L219 VanDerWaalsContact O-CG 3.29Å; I215-L219 WeakPolarHBondContact O-CG 3.3Å; I215-L219 PolarHBondContact O-N 3.01Å; L216-L219 PolarHBondContact O-N 3.25Å; S217-L219 PolarHBondContact O-N 3.3Å; L219-L223 HydrophobicContact CD2-CD1 3.92Å; L219-L223 VanDerWaalsContact O-CB 3.27Å; L219-L223 WeakPolarHBondContact O-CB 3.45Å; L219-L223 PolarHBondContact O-N 2.93Å; L219-L226 HydrophobicContact CB-CD1 3.97Å |
| 220 | L | 94.5 | Very high | 92.1 | Very high | 28 Ų | 28 | 49.8 Ų | 49.8 | 15% | 0.147 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.5 | -38.4 | -177.3 | -66.7 | 172.7 | 0 | 0 | 0 | 113.3 | L204 L216 S217 V228 K253 L254 A257 | L204-L220 HydrophobicContact CD1-CD2 4.12Å; L204-L220 HydrophobicContact CD2-CD2 3.74Å; L204-L220 HydrophobicContact CD2-CG 4.04Å; L216-L220 HydrophobicContact CD1-CD1 4.01Å; L216-L220 HydrophobicContact CD1-CG 4.39Å; L216-L220 HydrophobicContact CG-CD1 3.94Å; L216-L220 WeakPolarHBondContact O-CB 3.36Å; L216-L220 VanDerWaalsContact O-CG 3.29Å; L216-L220 WeakPolarHBondContact O-CG 3.39Å; L216-L220 PolarHBondContact O-N 3.33Å; S217-L220 PolarHBondContact O-N 2.97Å; S217-L220 VanDerWaalsContact O-N 3.15Å; L220-V228 HydrophobicContact CD2-CG2 3.87Å; L220-K253 HydrophobicContact CD1-CB 4.43Å; L220-L254 HydrophobicContact CD1-CD2 4.49Å; L220-A257 HydrophobicContact CD1-CB 4.08Å; L220-A257 HydrophobicContact CD2-CB 3.95Å; L220-A257 HydrophobicContact CG-CB 4.49Å |
| 221 | D | 92.1 | Very high | 92.5 | Very high | 115 Ų | 115 | 48.3 Ų | 48.3 | 62% | 0.615 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -75 | -29.6 | -175.1 | -64.4 | -32 | 0 | 0 | 0 | 112.4 | S217 | S217-D221 VanDerWaalsContact O-CB 3.23Å; S217-D221 WeakPolarHBondContact O-CB 3.44Å; S217-D221 PolarHBondContact O-N 2.7Å; S217-D221 VanDerWaalsContact O-OD2 3.1Å |
| 222 | N | 92.3 | Very high | 92.9 | Very high | 84 Ų | 84 | 45.4 Ų | 45.4 | 45% | 0.449 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -103.3 | -30.4 | -177.3 | -62.2 | -86.4 | 0 | 0 | 0 | 113.6 | V186 L218 | V186-N222 HydrophobicContact CB-CB 4.3Å; V186-N222 HydrophobicContact CG2-CB 3.99Å; L218-N222 WeakPolarHBondContact O-CB 3.36Å; L218-N222 PolarHBondContact O-N 2.85Å; L218-N222 PolarHBondContact O-ND2 2.77Å |
| 223 | L | 89.9 | Confident | 92.9 | Very high | 19 Ų | 19 | 49.9 Ų | 49.9 | 10% | 0.099 | 27% | 0.266 | C | S | . | . | trans | -111.4 | 73.8 | -170.5 | -52.9 | 178.3 | 0 | 0 | 0 | 111.9 | V186 I191 A193 L219 S225 L226 | V186-L223 HydrophobicContact CB-CD1 4.32Å; V186-L223 HydrophobicContact CB-CD2 4.26Å; V186-L223 HydrophobicContact CB-CG 4.29Å; V186-L223 HydrophobicContact CG1-CD1 3.88Å; V186-L223 HydrophobicContact CG1-CG 4.36Å; I191-L223 HydrophobicContact CG2-CD2 3.9Å; A193-L223 HydrophobicContact CB-CD1 3.62Å; L219-L223 HydrophobicContact CD2-CD1 3.92Å; L219-L223 VanDerWaalsContact O-CB 3.27Å; L219-L223 WeakPolarHBondContact O-CB 3.45Å; L219-L223 PolarHBondContact O-N 2.93Å; L223-S225 PolarHBondContact O-N 3.13Å; L223-L226 HydrophobicContact CB-CD1 3.8Å; L223-L226 HydrophobicContact CB-CG 3.8Å; L223-L226 HydrophobicContact CD1-CD1 4.19Å; L223-L226 WeakPolarHBondContact O-CB 3.39Å; L223-L226 WeakPolarHBondContact O-CG 3.41Å; L223-L226 PolarHBondContact O-N 3.42Å | ||
| 224 | Q | 78.2 | Confident | 92.8 | Very high | 189 Ų | 189 | 53.9 Ų | 53.9 | 88% | 0.883 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -10.3 | -178.7 | -61.9 | -178.5 | 6.7 | 0 | 0 | 115.1 | ||
| 225 | S | 82.5 | Confident | 92.6 | Very high | 102 Ų | 102 | 48.6 Ų | 48.6 | 71% | 0.713 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | 2 | 177.4 | 55.2 | 0 | 0 | 0 | 0 | 114.3 | L223 | L223-S225 PolarHBondContact O-N 3.13Š|
| 226 | L | 92.3 | Very high | 92.5 | Very high | 18 Ų | 18 | 49.7 Ų | 49.7 | 9% | 0.094 | 26% | 0.264 | C | S | . | . | trans | -74.7 | 126 | 176.8 | -69.7 | 179.3 | 0 | 0 | 0 | 111.9 | A193 V203 L204 L219 L223 V228 | A193-L226 HydrophobicContact CB-CD2 3.81Å; V203-L226 HydrophobicContact CG2-CD1 3.84Å; V203-L226 HydrophobicContact CG2-CD2 3.59Å; V203-L226 HydrophobicContact CG2-CG 4.4Å; L204-L226 HydrophobicContact CD1-CB 4.31Å; L204-L226 HydrophobicContact CD2-CD1 3.91Å; L204-L226 HydrophobicContact CG-CD1 4.16Å; L219-L226 HydrophobicContact CB-CD1 3.97Å; L223-L226 HydrophobicContact CB-CD1 3.8Å; L223-L226 HydrophobicContact CB-CG 3.8Å; L223-L226 HydrophobicContact CD1-CD1 4.19Å; L223-L226 WeakPolarHBondContact O-CB 3.39Å; L223-L226 WeakPolarHBondContact O-CG 3.41Å; L223-L226 PolarHBondContact O-N 3.42Å; L226-V228 PolarHBondContact O-N 3.46Å; L226-V228 VanDerWaalsContact O-N 3.17Å | ||
| 227 | D | 93.8 | Very high | 92.4 | Very high | 96 Ų | 96 | 49.7 Ų | 49.7 | 51% | 0.513 | 26% | 0.264 | S | S | . | . | trans | -73.4 | 104 | 167.4 | -179.9 | 8.3 | 0 | 0 | 0 | 110 | N229 A230 | D227-N229 PolarHBondContact O-N 3.18Å; D227-N229 WeakPolarHBondContact OD1-CA 3.46Å; D227-N229 PolarHBondContact OD1-N 3.17Å; D227-A230 HydrophobicContact CB-CB 4.03Å; D227-A230 VanDerWaalsContact CG-N 3.27Å; D227-A230 PolarHBondContact OD1-N 3.48Å; D227-A230 VanDerWaalsContact OD1-N 3.13Å; D227-A230 WeakPolarHBondContact OD2-CA 3.19Å; D227-A230 WeakPolarHBondContact OD2-CB 3.28Å; D227-A230 PolarHBondContact OD2-N 3.43Å | ||
| 228 | V | 95.5 | Very high | 92.5 | Very high | 16 Ų | 16 | 48.9 Ų | 48.9 | 10% | 0.097 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -17.2 | 177.3 | -173.3 | 0 | 0 | 0 | 0 | 111.9 | L204 L220 L226 P238 L254 A257 | L204-V228 HydrophobicContact CD1-CB 4.47Å; L204-V228 HydrophobicContact CD1-CG2 4.31Å; L220-V228 HydrophobicContact CD2-CG2 3.87Å; L226-V228 PolarHBondContact O-N 3.46Å; L226-V228 VanDerWaalsContact O-N 3.17Å; V228-P238 VanDerWaalsContact O-CD 3.32Å; V228-P238 WeakPolarHBondContact O-CD 3.25Å; V228-L254 HydrophobicContact CG1-CD2 3.84Å; V228-A257 HydrophobicContact CG1-CB 4.38Å; V228-A257 HydrophobicContact CG2-CB 4.13Å |
| 229 | N | 95.3 | Very high | 92.5 | Very high | 38 Ų | 38 | 47.9 Ų | 47.9 | 20% | 0.203 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | -0.2 | -175.9 | -68.2 | -48.2 | 0 | 0 | 0 | 113.9 | D227 L231 G258 G259 D260 I263 | D227-N229 PolarHBondContact O-N 3.18Å; D227-N229 WeakPolarHBondContact OD1-CA 3.46Å; D227-N229 PolarHBondContact OD1-N 3.17Å; N229-L231 PolarHBondContact O-N 3.16Å; N229-G258 PolarHBondContact ND2-O 2.91Å; N229-G259 WeakPolarHBondContact OD1-CA 3.47Å; N229-D260 PolarHBondContact OD1-N 3.46Å; N229-I263 HydrophobicContact CB-CD1 3.82Å |
| 230 | A | 94.9 | Very high | 92.5 | Very high | 9 Ų | 9 | 48.1 Ų | 48.1 | 7% | 0.074 | 26% | 0.255 | C | S | . | . | trans | -52.8 | 132.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | T202 H205 D227 | T202-A230 HydrophobicContact CG2-CB 3.68Å; H205-A230 PolarHBondContact CE1-O 3.12Å; H205-A230 PolarHBondContact NE2-O 2.83Å; D227-A230 HydrophobicContact CB-CB 4.03Å; D227-A230 VanDerWaalsContact CG-N 3.27Å; D227-A230 PolarHBondContact OD1-N 3.48Å; D227-A230 VanDerWaalsContact OD1-N 3.13Å; D227-A230 WeakPolarHBondContact OD2-CA 3.19Å; D227-A230 WeakPolarHBondContact OD2-CB 3.28Å; D227-A230 PolarHBondContact OD2-N 3.43Å | ||
| 231 | L | 94.8 | Very high | 92.5 | Very high | 40 Ų | 40 | 47.9 Ų | 47.9 | 21% | 0.209 | 25% | 0.253 | C | S | . | . | trans | -87.9 | 140.9 | 174.6 | -60.8 | -173.9 | 0 | 0 | 0 | 112.5 | K196 N229 G235 E236 I263 E265 | K196-L231 PolarHBondContact NZ-O 3.33Å; N229-L231 PolarHBondContact O-N 3.16Å; L231-G235 WeakPolarHBondContact CD2-O 3.49Å; L231-E236 CarbonylContact C-O 3.58Å; L231-E236 WeakPolarHBondContact CA-O 3.39Å; L231-I263 HydrophobicContact CD2-CG2 3.88Å; L231-I263 HydrophobicContact CG-CG2 4.37Å; L231-E265 HydrophobicContact CD1-CB 4.01Å | ||
| 232 | N | 93.7 | Very high | 92.7 | Very high | 6 Ų | 6 | 42.4 Ų | 42.4 | 3% | 0.032 | 22% | 0.224 | C | C | . | . | trans | -80.8 | -179.2 | 164.8 | 74.6 | 4.4 | 0 | 0 | 0 | 111.7 | G200 N201 K234 G235 E236 | G200-N232 WeakPolarHBondContact O-CA 3.49Å; N201-N232 PolarHBondContact OD1-ND2 2.72Å; N232-K234 PolarHBondContact O-N 2.94Å; N232-K234 VanDerWaalsContact O-N 3.1Å; N232-K234 WeakPolarHBondContact OD1-CA 3.41Å; N232-K234 WeakPolarHBondContact OD1-CB 3.36Å; N232-K234 PolarHBondContact OD1-N 2.76Å; N232-G235 PolarHBondContact O-N 2.94Å; N232-G235 PolarHBondContact OD1-N 3.14Å; N232-E236 PolarHBondContact N-O 3.27Å; N232-E236 PolarHBondContact ND2-OE2 3.3Å; N232-E236 WeakPolarHBondContact OD1-CB 3.34Å; N232-E236 PolarHBondContact OD1-N 3.17Å; N232-E236 PolarHBondContact OD1-O 2.9Å | ||
| 233 | N | 92.4 | Very high | 92.8 | Very high | 104 Ų | 104 | 38.4 Ų | 38.4 | 56% | 0.556 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -3.2 | -178.8 | -64.1 | -9.2 | 0 | 0 | 0 | 114 | E198 D199 G200 | E198-N233 PolarHBondContact O-ND2 3.46Å; D199-N233 VanDerWaalsContact C-CG 3.44Å; D199-N233 VanDerWaalsContact C-ND2 3.33Å; D199-N233 VanDerWaalsContact O-CB 3.24Å; D199-N233 WeakPolarHBondContact O-CB 3.3Å; D199-N233 PolarHBondContact O-N 3.48Å; G200-N233 WeakPolarHBondContact CA-OD1 3.44Å; G200-N233 PolarHBondContact N-ND2 3.24Å |
| 234 | K | 91.5 | Very high | 93 | Very high | 115 Ų | 115 | 42 Ų | 42 | 50% | 0.5 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 8.9 | 170.6 | -60.3 | 168 | -170.3 | 159.4 | 0 | 111.5 | N232 E236 F266 | N232-K234 PolarHBondContact O-N 2.94Å; N232-K234 VanDerWaalsContact O-N 3.1Å; N232-K234 WeakPolarHBondContact OD1-CA 3.41Å; N232-K234 WeakPolarHBondContact OD1-CB 3.36Å; N232-K234 PolarHBondContact OD1-N 2.76Å; K234-E236 HydrophobicContact CB-CG 3.81Å; K234-E236 PolarHBondContact O-N 3.12Å; K234-F266 VanDerWaalsContact C-CD2 3.42Å; K234-F266 VanDerWaalsContact O-CD2 3.31Å; K234-F266 WeakPolarHBondContact O-CD2 3.34Å |
| 235 | G | 92.4 | Very high | 93.7 | Very high | 3 Ų | 3 | 36.2 Ų | 36.2 | 3% | 0.031 | 19% | 0.19 | C | C | . | . | S | Bend | trans | 65.8 | 24.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | L231 N232 E265 | L231-G235 WeakPolarHBondContact CD2-O 3.49Å; N232-G235 PolarHBondContact O-N 2.94Å; N232-G235 PolarHBondContact OD1-N 3.14Å; G235-E265 PolarHBondContact O-N 2.73Å |
| 236 | E | 94.2 | Very high | 94.3 | Very high | 22 Ų | 22 | 34.9 Ų | 34.9 | 10% | 0.103 | 18% | 0.175 | C | C | . | . | trans | -100.4 | 133.7 | -178.4 | -49.3 | 179.9 | 110.8 | 0 | 0 | 109.8 | H205 L231 N232 K234 H240 R244 | H205-E236 PolarHBondContact NE2-O 3.2Å; L231-E236 CarbonylContact C-O 3.58Å; L231-E236 WeakPolarHBondContact CA-O 3.39Å; N232-E236 PolarHBondContact N-O 3.27Å; N232-E236 PolarHBondContact ND2-OE2 3.3Å; N232-E236 WeakPolarHBondContact OD1-CB 3.34Å; N232-E236 PolarHBondContact OD1-N 3.17Å; N232-E236 PolarHBondContact OD1-O 2.9Å; K234-E236 HydrophobicContact CB-CG 3.81Å; K234-E236 PolarHBondContact O-N 3.12Å; E236-H240 HydrophobicContact CB-CB 4.09Å; E236-R244 IonicContact OE1-CZ 2.76Å; E236-R244 IonicContact OE1-NH1 3.1Å; E236-R244 PolarHBondContact OE1-NH1 3.47Å; E236-R244 IonicContact OE1-NH2 2.8Å; E236-R244 PolarHBondContact OE1-NH2 3.33Å | ||
| 237 | S | 95.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -85.7 | 165 | 164 | 76.2 | 0 | 0 | 0 | 0 | 110.8 | L239 H240 | S237-L239 PolarHBondContact O-N 2.87Å; S237-L239 PolarHBondContact OG-N 3.5Å; S237-H240 PolarHBondContact N-CE1 3.49Å; S237-H240 PolarHBondContact N-ND1 3.4Å; S237-H240 WeakPolarHBondContact O-CB 3.47Å; S237-H240 PolarHBondContact O-N 3.38Å; S237-H240 PolarHBondContact O-ND1 3.14Å; S237-H240 PolarHBondContact OG-CE1 2.88Å; S237-H240 PolarHBondContact OG-ND1 3.17Å | ||
| 238 | P | 95.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -50.2 | -36.4 | 173.7 | -27.6 | 35.7 | 0 | 0 | 0 | 113 | L204 H205 L208 V228 H240 I241 A242 L254 | L204-P238 HydrophobicContact CB-CB 4.13Å; L204-P238 HydrophobicContact CB-CG 3.81Å; L204-P238 HydrophobicContact CD1-CG 4.31Å; H205-P238 VanDerWaalsContact CE1-CD 3.49Å; H205-P238 WeakPolarHBondContact CE1-CD 3.3Å; L208-P238 HydrophobicContact CD1-CB 3.59Å; L208-P238 WeakPolarHBondContact CD1-O 3.4Å; V228-P238 VanDerWaalsContact O-CD 3.32Å; V228-P238 WeakPolarHBondContact O-CD 3.25Å; P238-H240 VanDerWaalsContact C-N 3.28Å; P238-H240 PolarHBondContact O-N 3.33Å; P238-I241 PolarHBondContact O-N 3.25Å; P238-A242 PolarHBondContact O-N 3.29Å; P238-L254 HydrophobicContact CB-CD1 4.22Å; P238-L254 HydrophobicContact CB-CD2 3.91Å |
| 239 | L | 96.4 | Very high | 94.5 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63 | -30.9 | 179.9 | -170.9 | 58.4 | 0 | 0 | 0 | 113.1 | S237 C243 I251 L254 L255 P261 P270 L286 | S237-L239 PolarHBondContact O-N 2.87Å; S237-L239 PolarHBondContact OG-N 3.5Å; L239-C243 WeakPolarHBondContact O-CB 3.39Å; L239-C243 PolarHBondContact O-N 2.94Å; L239-C243 PolarHBondContact O-SG 2.97Å; L239-I251 HydrophobicContact CD1-CG2 4.03Å; L239-L254 HydrophobicContact CD1-CB 4.14Å; L239-L254 HydrophobicContact CD1-CD1 4.29Å; L239-L255 HydrophobicContact CD1-CD2 4.4Å; L239-L255 HydrophobicContact CD1-CG 4.28Å; L239-L255 HydrophobicContact CD2-CD2 3.88Å; L239-P261 HydrophobicContact CD2-CB 3.97Å; L239-P270 HydrophobicContact CB-CG 4.28Å; L239-P270 HydrophobicContact CD2-CB 4.47Å; L239-P270 HydrophobicContact CD2-CG 4.22Å; L239-P270 HydrophobicContact CG-CB 4.15Å; L239-P270 HydrophobicContact CG-CG 4.03Å; L239-L286 HydrophobicContact CD1-CD2 4.42Å; L239-L286 HydrophobicContact CD2-CD2 4.25Å; L239-L286 HydrophobicContact CG-CD2 4.49Å |
| 240 | H | 95.2 | Very high | 94.5 | Very high | 6 Ų | 6 | 35 Ų | 35 | 3% | 0.028 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66 | -45.3 | 174.2 | -63.3 | 72.8 | 0 | 0 | 0 | 111.3 | E236 S237 P238 A242 C243 R244 I263 S268 I273 | E236-H240 HydrophobicContact CB-CB 4.09Å; S237-H240 PolarHBondContact N-CE1 3.49Å; S237-H240 PolarHBondContact N-ND1 3.4Å; S237-H240 WeakPolarHBondContact O-CB 3.47Å; S237-H240 PolarHBondContact O-N 3.38Å; S237-H240 PolarHBondContact O-ND1 3.14Å; S237-H240 PolarHBondContact OG-CE1 2.88Å; S237-H240 PolarHBondContact OG-ND1 3.17Å; P238-H240 VanDerWaalsContact C-N 3.28Å; P238-H240 PolarHBondContact O-N 3.33Å; H240-A242 VanDerWaalsContact C-N 3.35Å; H240-C243 PolarHBondContact O-N 3.02Å; H240-R244 WeakPolarHBondContact O-CB 3.33Å; H240-R244 PolarHBondContact O-N 2.96Å; H240-I263 PolarHBondContact CE1-O 3.44Å; H240-S268 PolarHBondContact CD2-O 3.06Å; H240-S268 VanDerWaalsContact CD2-O 3.22Å; H240-S268 PolarHBondContact NE2-O 2.89Å; H240-I273 HydrophobicContact CB-CD1 3.87Å |
| 241 | I | 94.5 | Very high | 94.6 | Very high | 22 Ų | 22 | 34.6 Ų | 34.6 | 11% | 0.113 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.9 | -41.9 | 179.1 | -57.4 | -177.7 | 0 | 0 | 0 | 110 | H205 L208 P238 C243 R244 N245 | H205-I241 HydrophobicContact CB-CD1 3.98Å; L208-I241 HydrophobicContact CB-CB 4.26Å; L208-I241 HydrophobicContact CB-CG2 3.74Å; L208-I241 HydrophobicContact CD1-CB 4.48Å; P238-I241 PolarHBondContact O-N 3.25Å; I241-C243 PolarHBondContact O-N 3.45Å; I241-R244 PolarHBondContact O-N 2.88Å; I241-N245 WeakPolarHBondContact O-CB 3.5Å; I241-N245 VanDerWaalsContact O-CG 3.31Å; I241-N245 PolarHBondContact O-N 2.87Å |
| 242 | A | 95.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.8 | -41.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L208 P238 H240 N246 S247 C250 I251 L254 | L208-A242 HydrophobicContact CD1-CB 4.39Å; L208-A242 HydrophobicContact CD2-CB 4.02Å; P238-A242 PolarHBondContact O-N 3.29Å; H240-A242 VanDerWaalsContact C-N 3.35Å; A242-N246 PolarHBondContact O-N 3.23Å; A242-N246 VanDerWaalsContact O-N 3.14Å; A242-S247 PolarHBondContact O-N 3.41Å; A242-C250 HydrophobicContact CB-CB 4.08Å; A242-I251 HydrophobicContact CB-CG1 3.73Å; A242-L254 HydrophobicContact CB-CD1 3.61Å |
| 243 | C | 95.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69.7 | -39.6 | 175.4 | -66.5 | 0 | 0 | 0 | 0 | 112.7 | L239 H240 I241 N246 P270 I273 N277 C282 | L239-C243 WeakPolarHBondContact O-CB 3.39Å; L239-C243 PolarHBondContact O-N 2.94Å; L239-C243 PolarHBondContact O-SG 2.97Å; H240-C243 PolarHBondContact O-N 3.02Å; I241-C243 PolarHBondContact O-N 3.45Å; C243-N246 WeakPolarHBondContact O-CA 3.39Å; C243-N246 PolarHBondContact O-N 3.14Å; C243-P270 HydrophobicContact CB-CB 4.41Å; C243-I273 HydrophobicContact CB-CB 4.41Å; C243-I273 HydrophobicContact CB-CG2 4.24Å; C243-N277 PolarHBondContact O-ND2 2.9Å; C243-N277 VanDerWaalsContact O-ND2 3.16Å; C243-C282 VanDerWaalsContact SG-SG 3.62Å |
| 244 | R | 93.8 | Very high | 94.9 | Very high | 95 Ų | 95 | 33.3 Ų | 33.3 | 36% | 0.358 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -63.4 | -42.7 | 176.1 | -173.5 | 176.3 | -65.2 | 110.3 | -7.1 | 111.5 | E236 H240 I241 N246 I273 N277 | E236-R244 IonicContact OE1-CZ 2.76Å; E236-R244 IonicContact OE1-NH1 3.1Å; E236-R244 PolarHBondContact OE1-NH1 3.47Å; E236-R244 IonicContact OE1-NH2 2.8Å; E236-R244 PolarHBondContact OE1-NH2 3.33Å; H240-R244 WeakPolarHBondContact O-CB 3.33Å; H240-R244 PolarHBondContact O-N 2.96Å; I241-R244 PolarHBondContact O-N 2.88Å; R244-N246 PolarHBondContact O-N 3.32Å; R244-I273 HydrophobicContact CB-CG2 3.92Å; R244-N277 PolarHBondContact O-ND2 2.74Å; R244-N277 VanDerWaalsContact O-ND2 3.13Å |
| 245 | N | 93.7 | Very high | 95.2 | Very high | 68 Ų | 68 | 28.3 Ų | 28.3 | 36% | 0.364 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | 1.8 | 176 | -64 | -6.5 | 0 | 0 | 0 | 112.7 | L208 T211 I241 S247 | L208-N245 PolarHBondContact O-ND2 3.14Å; T211-N245 HydrophobicContact CG2-CB 3.78Å; I241-N245 WeakPolarHBondContact O-CB 3.5Å; I241-N245 VanDerWaalsContact O-CG 3.31Å; I241-N245 PolarHBondContact O-N 2.87Å; N245-S247 PolarHBondContact O-N 3.49Å; N245-S247 VanDerWaalsContact O-N 3.09Å |
| 246 | N | 93.4 | Very high | 95.3 | Very high | 74 Ų | 74 | 34 Ų | 34 | 40% | 0.396 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | 34 | -179 | -161.5 | 34.5 | 0 | 0 | 0 | 114.2 | A242 C243 R244 M248 S279 | A242-N246 PolarHBondContact O-N 3.23Å; A242-N246 VanDerWaalsContact O-N 3.14Å; C243-N246 WeakPolarHBondContact O-CA 3.39Å; C243-N246 PolarHBondContact O-N 3.14Å; R244-N246 PolarHBondContact O-N 3.32Å; N246-M248 PolarHBondContact O-N 3.1Å; N246-S279 VanDerWaalsContact OD1-CB 3.28Å; N246-S279 WeakPolarHBondContact OD1-CB 3.27Å; N246-S279 PolarHBondContact OD1-OG 3.14Å |
| 247 | S | 94.9 | Very high | 95.3 | Very high | 23 Ų | 23 | 35 Ų | 35 | 16% | 0.161 | 17% | 0.173 | C | C | . | . | trans | -90.1 | 84.6 | -171.5 | -172.9 | 0 | 0 | 0 | 0 | 110.5 | A242 N245 E249 C250 I251 | A242-S247 PolarHBondContact O-N 3.41Å; N245-S247 PolarHBondContact O-N 3.49Å; N245-S247 VanDerWaalsContact O-N 3.09Å; S247-E249 VanDerWaalsContact C-N 3.29Å; S247-E249 PolarHBondContact O-N 3.33Å; S247-E249 VanDerWaalsContact O-N 3.17Å; S247-C250 WeakPolarHBondContact O-CA 3.48Å; S247-C250 WeakPolarHBondContact O-CB 3.48Å; S247-C250 PolarHBondContact O-N 2.83Å; S247-C250 PolarHBondContact OG-SG 2.9Å; S247-I251 WeakPolarHBondContact O-CG1 3.45Å; S247-I251 PolarHBondContact O-N 2.8Å | ||
| 248 | M | 95 | Very high | 95.2 | Very high | 38 Ų | 38 | 37.2 Ų | 37.2 | 19% | 0.187 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -50.9 | -40.8 | -172.8 | -68.6 | -54.7 | -51.4 | 0 | 0 | 114.5 | N246 I251 E252 E281 C282 L285 | N246-M248 PolarHBondContact O-N 3.1Å; M248-I251 PolarHBondContact O-N 3.04Å; M248-I251 HydrophobicContact SD-CD1 4.09Å; M248-E252 PolarHBondContact O-N 3.27Å; M248-E281 HydrophobicContact CE-CB 4.09Å; M248-E281 HydrophobicContact CE-CG 3.74Å; M248-E281 HydrophobicContact SD-CB 4Å; M248-E281 HydrophobicContact SD-CG 4.21Å; M248-C282 HydrophobicContact SD-CB 3.91Å; M248-L285 HydrophobicContact CE-CB 3.96Å; M248-L285 HydrophobicContact CE-CD2 3.54Å; M248-L285 HydrophobicContact CE-CG 4.39Å |
| 249 | E | 95.7 | Very high | 95.1 | Very high | 110 Ų | 110 | 37.5 Ų | 37.5 | 51% | 0.514 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -71.5 | -34.5 | 178.6 | -159 | -176.7 | 159.6 | 0 | 0 | 112.6 | V213 S247 K253 | V213-E249 HydrophobicContact CG1-CB 4.12Å; V213-E249 VanDerWaalsContact CG1-CD 3.48Å; V213-E249 HydrophobicContact CG1-CG 3.79Å; V213-E249 WeakPolarHBondContact CG1-OE1 3.48Å; V213-E249 HydrophobicContact CG2-CB 4.37Å; S247-E249 VanDerWaalsContact C-N 3.29Å; S247-E249 PolarHBondContact O-N 3.33Å; S247-E249 VanDerWaalsContact O-N 3.17Å; E249-K253 HydrophobicContact CG-CD 4.4Å; E249-K253 WeakPolarHBondContact O-CB 3.38Å; E249-K253 WeakPolarHBondContact O-CG 3.4Å; E249-K253 PolarHBondContact O-N 3.37Å; E249-K253 WeakPolarHBondContact OE1-CE 3.26Å |
| 250 | C | 96.4 | Very high | 95 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.1 | -43.7 | 171.3 | -69.6 | 0 | 0 | 0 | 0 | 111.5 | L208 L216 A242 S247 K253 L254 | L208-C250 HydrophobicContact CD2-CB 3.64Å; L216-C250 HydrophobicContact CD2-CB 3.72Å; A242-C250 HydrophobicContact CB-CB 4.08Å; S247-C250 WeakPolarHBondContact O-CA 3.48Å; S247-C250 WeakPolarHBondContact O-CB 3.48Å; S247-C250 PolarHBondContact O-N 2.83Å; S247-C250 PolarHBondContact OG-SG 2.9Å; C250-K253 PolarHBondContact O-N 3.14Å; C250-L254 WeakPolarHBondContact O-CB 3.34Å; C250-L254 VanDerWaalsContact O-CG 3.3Å; C250-L254 WeakPolarHBondContact O-CG 3.4Å; C250-L254 PolarHBondContact O-N 2.92Å |
| 251 | I | 96.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60 | -47.7 | 177.6 | -62.9 | 159.9 | 0 | 0 | 0 | 109.6 | L239 A242 S247 M248 K253 L254 L255 C282 L285 L286 | L239-I251 HydrophobicContact CD1-CG2 4.03Å; A242-I251 HydrophobicContact CB-CG1 3.73Å; S247-I251 WeakPolarHBondContact O-CG1 3.45Å; S247-I251 PolarHBondContact O-N 2.8Å; M248-I251 PolarHBondContact O-N 3.04Å; M248-I251 HydrophobicContact SD-CD1 4.09Å; I251-K253 PolarHBondContact O-N 3.39Å; I251-L254 PolarHBondContact O-N 3.29Å; I251-L255 HydrophobicContact CG2-CD1 3.83Å; I251-L255 HydrophobicContact CG2-CG 4.45Å; I251-L255 WeakPolarHBondContact O-CB 3.2Å; I251-L255 VanDerWaalsContact O-CG 3.27Å; I251-L255 WeakPolarHBondContact O-CG 3.43Å; I251-L255 PolarHBondContact O-N 2.74Å; I251-C282 HydrophobicContact CD1-CB 4.4Å; I251-L285 HydrophobicContact CB-CD2 4.29Å; I251-L285 HydrophobicContact CG2-CD2 3.79Å; I251-L285 HydrophobicContact CG2-CG 4.47Å; I251-L286 HydrophobicContact CG2-CD2 4.4Å |
| 252 | E | 96 | Very high | 94.8 | Very high | 67 Ų | 67 | 42.4 Ų | 42.4 | 31% | 0.313 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.8 | -40 | 179.3 | -153.7 | -155.4 | -171.1 | 0 | 0 | 112.5 | M248 K256 L285 | M248-E252 PolarHBondContact O-N 3.27Å; E252-K256 HydrophobicContact CG-CD 4.36Å; E252-K256 WeakPolarHBondContact O-CB 3.41Å; E252-K256 VanDerWaalsContact O-CG 3.25Å; E252-K256 WeakPolarHBondContact O-CG 3.27Å; E252-K256 PolarHBondContact O-N 2.92Å; E252-K256 WeakPolarHBondContact OE1-CE 3.45Å; E252-K256 IonicContact OE1-NZ 2.73Å; E252-K256 PolarHBondContact OE1-NZ 3.38Å; E252-K256 IonicContact OE2-NZ 3.31Å; E252-K256 PolarHBondContact OE2-NZ 2.86Å; E252-L285 HydrophobicContact CB-CD2 3.91Å; E252-L285 HydrophobicContact CG-CD1 4.23Å; E252-L285 HydrophobicContact CG-CD2 4.16Å |
| 253 | K | 95.5 | Very high | 94.6 | Very high | 54 Ų | 54 | 44.9 Ų | 44.9 | 24% | 0.235 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66 | -42.2 | 176.8 | -78.6 | 167.4 | 174.9 | -78.8 | 0 | 112.6 | V213 L216 S217 L220 E249 C250 I251 K256 A257 | V213-K253 HydrophobicContact CG1-CD 3.79Å; L216-K253 HydrophobicContact CD2-CB 4.3Å; S217-K253 VanDerWaalsContact OG-CE 3.28Å; S217-K253 WeakPolarHBondContact OG-CE 3.23Å; S217-K253 PolarHBondContact OG-NZ 2.71Å; L220-K253 HydrophobicContact CD1-CB 4.43Å; E249-K253 HydrophobicContact CG-CD 4.4Å; E249-K253 WeakPolarHBondContact O-CB 3.38Å; E249-K253 WeakPolarHBondContact O-CG 3.4Å; E249-K253 PolarHBondContact O-N 3.37Å; E249-K253 WeakPolarHBondContact OE1-CE 3.26Å; C250-K253 PolarHBondContact O-N 3.14Å; I251-K253 PolarHBondContact O-N 3.39Å; K253-K256 PolarHBondContact O-N 3.46Å; K253-A257 WeakPolarHBondContact O-CB 3.35Å; K253-A257 PolarHBondContact O-N 2.95Å |
| 254 | L | 96.7 | Very high | 94.2 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.4 | -45.8 | 175.8 | -71.5 | 165.8 | 0 | 0 | 0 | 111.8 | L208 L216 L220 V228 P238 L239 A242 C250 I251 K256 A257 G258 G259 | L208-L254 HydrophobicContact CD1-CD1 3.93Å; L208-L254 HydrophobicContact CD2-CD1 4.44Å; L216-L254 HydrophobicContact CD1-CD2 4.03Å; L216-L254 HydrophobicContact CD1-CG 4.49Å; L216-L254 HydrophobicContact CD2-CG 4.33Å; L220-L254 HydrophobicContact CD1-CD2 4.49Å; V228-L254 HydrophobicContact CG1-CD2 3.84Å; P238-L254 HydrophobicContact CB-CD1 4.22Å; P238-L254 HydrophobicContact CB-CD2 3.91Å; L239-L254 HydrophobicContact CD1-CB 4.14Å; L239-L254 HydrophobicContact CD1-CD1 4.29Å; A242-L254 HydrophobicContact CB-CD1 3.61Å; C250-L254 WeakPolarHBondContact O-CB 3.34Å; C250-L254 VanDerWaalsContact O-CG 3.3Å; C250-L254 WeakPolarHBondContact O-CG 3.4Å; C250-L254 PolarHBondContact O-N 2.92Å; I251-L254 PolarHBondContact O-N 3.29Å; L254-K256 PolarHBondContact O-N 2.88Å; L254-A257 CarbonylContact O-C 3.54Å; L254-A257 PolarHBondContact O-N 3.17Å; L254-A257 VanDerWaalsContact O-N 3.1Å; L254-G258 PolarHBondContact O-N 3.25Å; L254-G259 WeakPolarHBondContact O-CA 3.24Å; L254-G259 PolarHBondContact O-N 3.4Å |
| 255 | L | 96.1 | Very high | 93.5 | Very high | 10 Ų | 10 | 46.8 Ų | 46.8 | 5% | 0.052 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.6 | -41.9 | 176.9 | -69.9 | 169.5 | 0 | 0 | 0 | 111.8 | L239 I251 A257 G258 G259 L285 L286 Y289 | L239-L255 HydrophobicContact CD1-CD2 4.4Å; L239-L255 HydrophobicContact CD1-CG 4.28Å; L239-L255 HydrophobicContact CD2-CD2 3.88Å; I251-L255 HydrophobicContact CG2-CD1 3.83Å; I251-L255 HydrophobicContact CG2-CG 4.45Å; I251-L255 WeakPolarHBondContact O-CB 3.2Å; I251-L255 VanDerWaalsContact O-CG 3.27Å; I251-L255 WeakPolarHBondContact O-CG 3.43Å; I251-L255 PolarHBondContact O-N 2.74Å; L255-A257 VanDerWaalsContact C-N 3.26Å; L255-A257 PolarHBondContact O-N 2.79Å; L255-G258 PolarHBondContact O-N 3.24Å; L255-G259 WeakPolarHBondContact CD2-O 3.32Å; L255-L285 HydrophobicContact CD1-CD2 4.19Å; L255-L285 HydrophobicContact CD1-CG 3.77Å; L255-L286 HydrophobicContact CD1-CD2 4.36Å; L255-L286 HydrophobicContact CD2-CD2 4.36Å; L255-Y289 HydrophobicContact CB-CD1 3.8Å; L255-Y289 HydrophobicContact CB-CD2 4.2Å; L255-Y289 HydrophobicContact CB-CE1 4Å; L255-Y289 HydrophobicContact CB-CE2 4.39Å; L255-Y289 HydrophobicContact CB-CG 3.9Å; L255-Y289 HydrophobicContact CD1-CD2 3.89Å; L255-Y289 HydrophobicContact CD1-CE2 4.4Å; L255-Y289 HydrophobicContact CD1-CG 4.13Å; L255-Y289 HydrophobicContact CD2-CG 4.41Å; L255-Y289 HydrophobicContact CG-CG 4.38Å |
| 256 | K | 94.3 | Very high | 92.4 | Very high | 123 Ų | 123 | 48.7 Ų | 48.7 | 54% | 0.535 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.4 | -29.5 | 173.4 | -75.4 | 170.6 | -179.7 | 169.5 | 0 | 113.4 | E252 K253 L254 G258 Y289 | E252-K256 HydrophobicContact CG-CD 4.36Å; E252-K256 WeakPolarHBondContact O-CB 3.41Å; E252-K256 VanDerWaalsContact O-CG 3.25Å; E252-K256 WeakPolarHBondContact O-CG 3.27Å; E252-K256 PolarHBondContact O-N 2.92Å; E252-K256 WeakPolarHBondContact OE1-CE 3.45Å; E252-K256 IonicContact OE1-NZ 2.73Å; E252-K256 PolarHBondContact OE1-NZ 3.38Å; E252-K256 IonicContact OE2-NZ 3.31Å; E252-K256 PolarHBondContact OE2-NZ 2.86Å; K253-K256 PolarHBondContact O-N 3.46Å; L254-K256 PolarHBondContact O-N 2.88Å; K256-G258 VanDerWaalsContact C-N 3.31Å; K256-Y289 WeakPolarHBondContact CE-OH 3.41Å; K256-Y289 HydrophobicContact CG-CE1 4.3Å; K256-Y289 WeakPolarHBondContact CG-OH 3.34Å |
| 257 | A | 94.2 | Very high | 91.3 | Very high | 44 Ų | 44 | 51.4 Ų | 51.4 | 36% | 0.364 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 5.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | L220 V228 K253 L254 L255 | L220-A257 HydrophobicContact CD1-CB 4.08Å; L220-A257 HydrophobicContact CD2-CB 3.95Å; L220-A257 HydrophobicContact CG-CB 4.49Å; V228-A257 HydrophobicContact CG1-CB 4.38Å; V228-A257 HydrophobicContact CG2-CB 4.13Å; K253-A257 WeakPolarHBondContact O-CB 3.35Å; K253-A257 PolarHBondContact O-N 2.95Å; L254-A257 CarbonylContact O-C 3.54Å; L254-A257 PolarHBondContact O-N 3.17Å; L254-A257 VanDerWaalsContact O-N 3.1Å; L255-A257 VanDerWaalsContact C-N 3.26Å; L255-A257 PolarHBondContact O-N 2.79Å |
| 258 | G | 93.2 | Very high | 90.9 | Very high | 45 Ų | 45 | 51.4 Ų | 51.4 | 46% | 0.464 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90 | 19.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115 | N229 L254 L255 K256 D260 | N229-G258 PolarHBondContact ND2-O 2.91Å; L254-G258 PolarHBondContact O-N 3.25Å; L255-G258 PolarHBondContact O-N 3.24Å; K256-G258 VanDerWaalsContact C-N 3.31Å; G258-D260 PolarHBondContact O-N 2.81Å |
| 259 | G | 95 | Very high | 90.9 | Very high | 6 Ų | 6 | 50.2 Ų | 50.2 | 6% | 0.062 | 26% | 0.264 | C | S | . | . | trans | -64.1 | 122.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | N229 L254 L255 | N229-G259 WeakPolarHBondContact OD1-CA 3.47Å; L254-G259 WeakPolarHBondContact O-CA 3.24Å; L254-G259 PolarHBondContact O-N 3.4Å; L255-G259 WeakPolarHBondContact CD2-O 3.32Å | ||
| 260 | D | 93.9 | Very high | 90.8 | Very high | 58 Ų | 58 | 45 Ų | 45 | 31% | 0.31 | 24% | 0.239 | S | C | . | . | trans | -95.8 | 120 | -176.9 | -172.7 | -8.3 | 0 | 0 | 0 | 111.2 | N229 G258 M262 I263 | N229-D260 PolarHBondContact OD1-N 3.46Å; G258-D260 PolarHBondContact O-N 2.81Å; D260-M262 PolarHBondContact O-N 2.89Å; D260-M262 WeakPolarHBondContact OD1-CB 3.39Å; D260-M262 PolarHBondContact OD1-N 2.91Å; D260-I263 HydrophobicContact CB-CD1 3.82Å; D260-I263 HydrophobicContact CB-CG1 4.03Å | ||
| 261 | P | 93.4 | Very high | 90.8 | Very high | 4 Ų | 4 | 45 Ų | 45 | 3% | 0.026 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | 5.1 | 175.4 | 34.2 | -37.7 | 0 | 0 | 0 | 114.4 | L239 L286 C290 | L239-P261 HydrophobicContact CD2-CB 3.97Å; P261-L286 HydrophobicContact CB-CD2 3.95Å; P261-C290 HydrophobicContact CG-CB 3.45Å; P261-C290 VanDerWaalsContact CG-CB 3.45Å |
| 262 | M | 92.5 | Very high | 90.7 | Very high | 70 Ų | 70 | 45 Ų | 45 | 35% | 0.345 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | 9.4 | 175.3 | -55.9 | -167.1 | 65.7 | 0 | 0 | 114 | D260 F269 N292 C293 L296 | D260-M262 PolarHBondContact O-N 2.89Å; D260-M262 WeakPolarHBondContact OD1-CB 3.39Å; D260-M262 PolarHBondContact OD1-N 2.91Å; M262-F269 WeakPolarHBondContact O-CE1 3.47Å; M262-N292 HydrophobicContact CE-CB 4.37Å; M262-N292 HydrophobicContact SD-CB 3.87Å; M262-C293 HydrophobicContact CG-CB 4.26Å; M262-L296 HydrophobicContact CB-CD2 4.11Å; M262-L296 HydrophobicContact CE-CD1 4.07Å; M262-L296 HydrophobicContact CE-CD2 4.21Å; M262-L296 HydrophobicContact CG-CD2 4.1Å |
| 263 | I | 90.3 | Very high | 90.6 | Very high | 53 Ų | 53 | 42.3 Ų | 42.3 | 27% | 0.272 | 23% | 0.227 | S | C | . | . | trans | -104.2 | 141.8 | 176.2 | -67 | 178.7 | 0 | 0 | 0 | 110 | N229 L231 H240 D260 F269 | N229-I263 HydrophobicContact CB-CD1 3.82Å; L231-I263 HydrophobicContact CD2-CG2 3.88Å; L231-I263 HydrophobicContact CG-CG2 4.37Å; H240-I263 PolarHBondContact CE1-O 3.44Å; D260-I263 HydrophobicContact CB-CD1 3.82Å; D260-I263 HydrophobicContact CB-CG1 4.03Å; I263-F269 WeakPolarHBondContact O-CD1 3.21Å | ||
| 264 | G | 87.5 | Confident | 90.6 | Very high | 19 Ų | 19 | 39.8 Ų | 39.8 | 20% | 0.196 | 22% | 0.216 | C | C | . | . | trans | 163.6 | 163.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 265 | E | 80.2 | Confident | 90.5 | Very high | 115 Ų | 115 | 39.8 Ų | 39.8 | 54% | 0.537 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -129.4 | -39.9 | -175.6 | -174.4 | 177 | -162.3 | 0 | 0 | 116.6 | L231 G235 L299 | L231-E265 HydrophobicContact CD1-CB 4.01Å; G235-E265 PolarHBondContact O-N 2.73Å; E265-L299 VanDerWaalsContact C-CD1 3.47Å; E265-L299 VanDerWaalsContact O-CD1 3.28Å; E265-L299 WeakPolarHBondContact O-CD1 3.31Å |
| 266 | F | 70.7 | Confident | 90.4 | Very high | 108 Ų | 108 | 43.2 Ų | 43.2 | 47% | 0.474 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -105.1 | -81.3 | -173.7 | -62 | -88.5 | 0 | 0 | 0 | 114.2 | K234 I300 | K234-F266 VanDerWaalsContact C-CD2 3.42Å; K234-F266 VanDerWaalsContact O-CD2 3.31Å; K234-F266 WeakPolarHBondContact O-CD2 3.34Å; F266-I300 WeakPolarHBondContact O-CG1 3.37Å |
| 267 | E | 70.4 | Confident | 90.3 | Very high | 132 Ų | 132 | 40.7 Ų | 40.7 | 62% | 0.617 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -80 | -60.5 | -165.4 | -64.3 | -172.4 | 153.4 | 0 | 0 | 113.4 | I300 | E267-I300 HydrophobicContact CB-CD1 4.46Å; E267-I300 HydrophobicContact CG-CD1 4.36Å |
| 268 | S | 85.3 | Confident | 90.3 | Very high | 22 Ų | 22 | 42 Ų | 42 | 15% | 0.154 | 23% | 0.227 | C | C | . | . | trans | -168.1 | 148.1 | -175.3 | 73 | 0 | 0 | 0 | 0 | 113.3 | H240 H272 | H240-S268 PolarHBondContact CD2-O 3.06Å; H240-S268 VanDerWaalsContact CD2-O 3.22Å; H240-S268 PolarHBondContact NE2-O 2.89Å; S268-H272 VanDerWaalsContact CB-CB 3.5Å | ||
| 269 | F | 94.3 | Very high | 90.3 | Very high | 14 Ų | 14 | 40.3 Ų | 40.3 | 6% | 0.061 | 21% | 0.209 | C | C | . | . | trans | -67.6 | 158.1 | 174.3 | -58.8 | -83 | 0 | 0 | 0 | 112.9 | M262 I263 I271 H272 L296 P297 L299 | M262-F269 WeakPolarHBondContact O-CE1 3.47Å; I263-F269 WeakPolarHBondContact O-CD1 3.21Å; F269-I271 VanDerWaalsContact C-N 3.25Å; F269-I271 PolarHBondContact O-N 3.03Å; F269-H272 AromaticContact CD2-CE1 3.92Å; F269-H272 PolarHBondContact N-ND1 2.72Å; F269-H272 WeakPolarHBondContact O-CB 3.25Å; F269-H272 PolarHBondContact O-N 3.29Å; F269-H272 PolarHBondContact O-ND1 3.49Å; F269-L296 HydrophobicContact CB-CD2 3.88Å; F269-L296 HydrophobicContact CD1-CD2 3.81Å; F269-L296 HydrophobicContact CD2-CD1 4.3Å; F269-L296 HydrophobicContact CD2-CD2 3.55Å; F269-L296 HydrophobicContact CD2-CG 3.65Å; F269-L296 HydrophobicContact CE1-CD2 4.21Å; F269-L296 HydrophobicContact CE2-CD1 3.98Å; F269-L296 HydrophobicContact CE2-CD2 3.97Å; F269-L296 HydrophobicContact CE2-CG 3.84Å; F269-L296 HydrophobicContact CG-CD2 3.46Å; F269-L296 VanDerWaalsContact CG-CD2 3.46Å; F269-L296 HydrophobicContact CG-CG 4.11Å; F269-L296 HydrophobicContact CZ-CD1 4.29Å; F269-L296 HydrophobicContact CZ-CD2 4.27Å; F269-L296 HydrophobicContact CZ-CG 4.45Å; F269-P297 WeakPolarHBondContact CD2-O 3.38Å; F269-P297 VanDerWaalsContact CE2-O 3.25Å; F269-P297 WeakPolarHBondContact CE2-O 3.41Å; F269-L299 HydrophobicContact CE1-CD1 4.48Å; F269-L299 HydrophobicContact CE2-CD1 4.08Å; F269-L299 HydrophobicContact CE2-CD2 3.87Å; F269-L299 HydrophobicContact CE2-CG 3.71Å; F269-L299 HydrophobicContact CZ-CD1 3.83Å; F269-L299 HydrophobicContact CZ-CD2 3.86Å; F269-L299 HydrophobicContact CZ-CG 3.88Å | ||
| 270 | P | 95.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -52 | -31.5 | -173.1 | -30.8 | 37 | 0 | 0 | 0 | 116.6 | L239 C243 H272 I273 A274 L286 | L239-P270 HydrophobicContact CB-CG 4.28Å; L239-P270 HydrophobicContact CD2-CB 4.47Å; L239-P270 HydrophobicContact CD2-CG 4.22Å; L239-P270 HydrophobicContact CG-CB 4.15Å; L239-P270 HydrophobicContact CG-CG 4.03Å; C243-P270 HydrophobicContact CB-CB 4.41Å; P270-H272 VanDerWaalsContact C-N 3.35Å; P270-H272 PolarHBondContact O-N 3.03Å; P270-I273 PolarHBondContact O-N 3.14Å; P270-A274 PolarHBondContact O-N 2.91Å; P270-L286 HydrophobicContact CB-CD1 4.43Å; P270-L286 HydrophobicContact CB-CD2 4.42Å |
| 271 | I | 95.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.3 | -32.4 | 176 | -176.1 | 163.3 | 0 | 0 | 0 | 113.5 | F269 A274 V275 L286 C293 P305 | F269-I271 VanDerWaalsContact C-N 3.25Å; F269-I271 PolarHBondContact O-N 3.03Å; I271-A274 WeakPolarHBondContact O-CB 3.38Å; I271-A274 PolarHBondContact O-N 3.33Å; I271-V275 WeakPolarHBondContact O-CG2 3.18Å; I271-V275 PolarHBondContact O-N 3.02Å; I271-L286 HydrophobicContact CB-CD1 4.15Å; I271-C293 HydrophobicContact CG2-CB 4.16Å; I271-P305 HydrophobicContact CD1-CB 4.39Å; I271-P305 HydrophobicContact CD1-CG 4.09Å; I271-P305 HydrophobicContact CG1-CB 4.15Å; I271-P305 HydrophobicContact CG1-CG 4.03Å; I271-P305 HydrophobicContact CG2-CG 3.86Å |
| 272 | H | 95.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.8 | -41 | 175.8 | -59.3 | 96.1 | 0 | 0 | 0 | 110.9 | S268 F269 P270 A274 V275 N276 L296 N303 L308 | S268-H272 VanDerWaalsContact CB-CB 3.5Å; F269-H272 AromaticContact CD2-CE1 3.92Å; F269-H272 PolarHBondContact N-ND1 2.72Å; F269-H272 WeakPolarHBondContact O-CB 3.25Å; F269-H272 PolarHBondContact O-N 3.29Å; F269-H272 PolarHBondContact O-ND1 3.49Å; P270-H272 VanDerWaalsContact C-N 3.35Å; P270-H272 PolarHBondContact O-N 3.03Å; H272-A274 VanDerWaalsContact C-N 3.3Å; H272-A274 PolarHBondContact O-N 2.93Å; H272-V275 PolarHBondContact O-N 2.73Å; H272-N276 WeakPolarHBondContact O-CB 3.45Å; H272-N276 PolarHBondContact O-N 2.88Å; H272-L296 PolarHBondContact CE1-O 3.38Å; H272-L296 PolarHBondContact NE2-O 2.73Å; H272-N303 PolarHBondContact NE2-O 3.02Å; H272-L308 HydrophobicContact CB-CD1 3.69Å |
| 273 | I | 94 | Very high | 90.6 | Very high | 11 Ų | 11 | 43.1 Ų | 43.1 | 6% | 0.056 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.3 | -43.3 | 172.1 | -56.1 | 178.2 | 0 | 0 | 0 | 110 | H240 C243 R244 P270 V275 N276 N277 | H240-I273 HydrophobicContact CB-CD1 3.87Å; C243-I273 HydrophobicContact CB-CB 4.41Å; C243-I273 HydrophobicContact CB-CG2 4.24Å; R244-I273 HydrophobicContact CB-CG2 3.92Å; P270-I273 PolarHBondContact O-N 3.14Å; I273-V275 PolarHBondContact O-N 2.91Å; I273-N276 PolarHBondContact O-N 3.49Å; I273-N277 VanDerWaalsContact O-CB 3.26Å; I273-N277 WeakPolarHBondContact O-CB 3.39Å; I273-N277 PolarHBondContact O-N 3.12Å |
| 274 | A | 94.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.9 | -38.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113.4 | P270 I271 H272 D278 S279 C282 V283 L286 | P270-A274 PolarHBondContact O-N 2.91Å; I271-A274 WeakPolarHBondContact O-CB 3.38Å; I271-A274 PolarHBondContact O-N 3.33Å; H272-A274 VanDerWaalsContact C-N 3.3Å; H272-A274 PolarHBondContact O-N 2.93Å; A274-D278 PolarHBondContact O-N 2.85Å; A274-S279 PolarHBondContact O-N 3.44Å; A274-C282 HydrophobicContact CB-CB 3.93Å; A274-C282 WeakPolarHBondContact CB-SG 3.45Å; A274-V283 HydrophobicContact CB-CG2 3.75Å; A274-L286 HydrophobicContact CB-CD1 3.82Å |
| 275 | V | 95.4 | Very high | 91.3 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -72 | -45.7 | 175.3 | 170.7 | 0 | 0 | 0 | 0 | 111.8 | I271 H272 I273 N277 D278 V283 P305 L308 V309 I314 L318 | I271-V275 WeakPolarHBondContact O-CG2 3.18Å; I271-V275 PolarHBondContact O-N 3.02Å; H272-V275 PolarHBondContact O-N 2.73Å; I273-V275 PolarHBondContact O-N 2.91Å; V275-N277 PolarHBondContact O-N 3.18Å; V275-D278 PolarHBondContact O-N 3.28Å; V275-V283 HydrophobicContact CG2-CG2 3.83Å; V275-P305 HydrophobicContact CG2-CB 4.1Å; V275-L308 HydrophobicContact CG1-CB 4.02Å; V275-V309 HydrophobicContact CG1-CG2 3.84Å; V275-I314 HydrophobicContact CG1-CG2 4.13Å; V275-I314 HydrophobicContact CG2-CG2 4.15Å; V275-L318 HydrophobicContact CG2-CD1 4Å; V275-L318 HydrophobicContact CG2-CD2 4.34Å |
| 276 | N | 93 | Very high | 92 | Very high | 83 Ų | 83 | 37.4 Ų | 37.4 | 44% | 0.444 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -60.8 | -32.1 | 176.7 | -75.9 | -18.5 | 0 | 0 | 0 | 112.4 | H272 I273 D278 | H272-N276 WeakPolarHBondContact O-CB 3.45Å; H272-N276 PolarHBondContact O-N 2.88Å; I273-N276 PolarHBondContact O-N 3.49Å; N276-D278 VanDerWaalsContact C-N 3.27Å; N276-D278 PolarHBondContact O-N 3.2Å |
| 277 | N | 91.8 | Very high | 93.2 | Very high | 70 Ų | 70 | 32.8 Ų | 32.8 | 37% | 0.374 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 4.2 | 174 | -78.4 | -6.9 | 0 | 0 | 0 | 113.9 | C243 R244 I273 V275 S279 | C243-N277 PolarHBondContact O-ND2 2.9Å; C243-N277 VanDerWaalsContact O-ND2 3.16Å; R244-N277 PolarHBondContact O-ND2 2.74Å; R244-N277 VanDerWaalsContact O-ND2 3.13Å; I273-N277 VanDerWaalsContact O-CB 3.26Å; I273-N277 WeakPolarHBondContact O-CB 3.39Å; I273-N277 PolarHBondContact O-N 3.12Å; V275-N277 PolarHBondContact O-N 3.18Å; N277-S279 PolarHBondContact O-N 3.37Å |
| 278 | D | 93.9 | Very high | 94.3 | Very high | 70 Ų | 70 | 31.4 Ų | 31.4 | 37% | 0.374 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 23.6 | -175.2 | -100.2 | -0.9 | 0 | 0 | 0 | 114 | A274 V275 N276 L280 N311 | A274-D278 PolarHBondContact O-N 2.85Å; V275-D278 PolarHBondContact O-N 3.28Å; N276-D278 VanDerWaalsContact C-N 3.27Å; N276-D278 PolarHBondContact O-N 3.2Å; D278-L280 PolarHBondContact O-N 2.86Å; D278-N311 VanDerWaalsContact CG-CB 3.46Å; D278-N311 WeakPolarHBondContact OD1-CB 3.45Å; D278-N311 VanDerWaalsContact OD2-CB 3.27Å; D278-N311 WeakPolarHBondContact OD2-CB 3.22Å; D278-N311 PolarHBondContact OD2-ND2 3.03Å |
| 279 | S | 95 | Very high | 94.7 | Very high | 10 Ų | 10 | 35.2 Ų | 35.2 | 7% | 0.07 | 18% | 0.181 | C | C | . | . | trans | -87.8 | 84.5 | -170.2 | -172.1 | 0 | 0 | 0 | 0 | 112 | N246 A274 N277 E281 C282 V283 | N246-S279 VanDerWaalsContact OD1-CB 3.28Å; N246-S279 WeakPolarHBondContact OD1-CB 3.27Å; N246-S279 PolarHBondContact OD1-OG 3.14Å; A274-S279 PolarHBondContact O-N 3.44Å; N277-S279 PolarHBondContact O-N 3.37Å; S279-E281 PolarHBondContact O-N 3.11Å; S279-C282 PolarHBondContact O-N 3.31Å; S279-C282 VanDerWaalsContact O-N 3.15Å; S279-C282 VanDerWaalsContact OG-CB 3.22Å; S279-C282 WeakPolarHBondContact OG-CB 3.45Å; S279-C282 PolarHBondContact OG-N 2.71Å; S279-V283 WeakPolarHBondContact O-CG2 3.45Å; S279-V283 PolarHBondContact O-N 2.9Å | ||
| 280 | L | 94.4 | Very high | 94.7 | Very high | 71 Ų | 71 | 35.6 Ų | 35.6 | 37% | 0.372 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -52 | -37 | 176.5 | -172.7 | 72.6 | 0 | 0 | 0 | 112.7 | D278 N284 I314 R317 | D278-L280 PolarHBondContact O-N 2.86Å; L280-N284 WeakPolarHBondContact O-CB 3.43Å; L280-N284 PolarHBondContact O-N 2.88Å; L280-N284 PolarHBondContact O-ND2 3.04Å; L280-I314 HydrophobicContact CB-CD1 3.82Å; L280-I314 HydrophobicContact CD1-CD1 3.96Å; L280-R317 HydrophobicContact CD1-CB 3.5Å; L280-R317 HydrophobicContact CD1-CG 3.65Å |
| 281 | E | 95.1 | Very high | 94.6 | Very high | 126 Ų | 126 | 39.6 Ų | 39.6 | 59% | 0.589 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -73 | -42 | -179.5 | -154.3 | -174.5 | 141 | 0 | 0 | 111.8 | M248 S279 N284 L285 | M248-E281 HydrophobicContact CE-CB 4.09Å; M248-E281 HydrophobicContact CE-CG 3.74Å; M248-E281 HydrophobicContact SD-CB 4Å; M248-E281 HydrophobicContact SD-CG 4.21Å; S279-E281 PolarHBondContact O-N 3.11Å; E281-N284 WeakPolarHBondContact O-CB 3.49Å; E281-N284 PolarHBondContact O-N 3.29Å; E281-L285 WeakPolarHBondContact O-CB 3.34Å; E281-L285 PolarHBondContact O-N 3.35Å |
| 282 | C | 95.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.9 | -46.4 | 174.9 | -176.9 | 0 | 0 | 0 | 0 | 111.4 | C243 M248 I251 A274 S279 N284 L285 L286 | C243-C282 VanDerWaalsContact SG-SG 3.62Å; M248-C282 HydrophobicContact SD-CB 3.91Å; I251-C282 HydrophobicContact CD1-CB 4.4Å; A274-C282 HydrophobicContact CB-CB 3.93Å; A274-C282 WeakPolarHBondContact CB-SG 3.45Å; S279-C282 PolarHBondContact O-N 3.31Å; S279-C282 VanDerWaalsContact O-N 3.15Å; S279-C282 VanDerWaalsContact OG-CB 3.22Å; S279-C282 WeakPolarHBondContact OG-CB 3.45Å; S279-C282 PolarHBondContact OG-N 2.71Å; C282-N284 VanDerWaalsContact C-N 3.29Å; C282-N284 PolarHBondContact O-N 2.59Å; C282-L285 PolarHBondContact O-N 3.05Å; C282-L285 VanDerWaalsContact O-N 3.14Å; C282-L286 VanDerWaalsContact O-CG 3.28Å; C282-L286 WeakPolarHBondContact O-CG 3.36Å; C282-L286 PolarHBondContact O-N 3.19Å |
| 283 | V | 95.8 | Very high | 94.2 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -55.8 | -44.4 | 174.1 | 170.9 | 0 | 0 | 0 | 0 | 111 | A274 V275 S279 C287 L318 L321 | A274-V283 HydrophobicContact CB-CG2 3.75Å; V275-V283 HydrophobicContact CG2-CG2 3.83Å; S279-V283 WeakPolarHBondContact O-CG2 3.45Å; S279-V283 PolarHBondContact O-N 2.9Å; V283-C287 WeakPolarHBondContact O-CB 3.46Å; V283-C287 PolarHBondContact O-N 2.77Å; V283-C287 VanDerWaalsContact O-N 3.1Å; V283-C287 PolarHBondContact O-SG 2.84Å; V283-L318 HydrophobicContact CG1-CD2 3.61Å; V283-L318 HydrophobicContact CG1-CG 4.49Å; V283-L321 HydrophobicContact CG1-CD1 4.15Å |
| 284 | N | 95.5 | Very high | 94.3 | Very high | 39 Ų | 39 | 45.4 Ų | 45.4 | 21% | 0.209 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.5 | -49.9 | 175.2 | -80.9 | -40.5 | 0 | 0 | 0 | 112.2 | L280 E281 C282 C287 T288 R317 | L280-N284 WeakPolarHBondContact O-CB 3.43Å; L280-N284 PolarHBondContact O-N 2.88Å; L280-N284 PolarHBondContact O-ND2 3.04Å; E281-N284 WeakPolarHBondContact O-CB 3.49Å; E281-N284 PolarHBondContact O-N 3.29Å; C282-N284 VanDerWaalsContact C-N 3.29Å; C282-N284 PolarHBondContact O-N 2.59Å; N284-C287 PolarHBondContact O-N 3.09Å; N284-T288 WeakPolarHBondContact O-CB 3.45Å; N284-T288 PolarHBondContact O-N 2.88Å; N284-T288 PolarHBondContact O-OG1 3.28Å; N284-T288 VanDerWaalsContact O-OG1 3.05Å; N284-R317 PolarHBondContact OD1-NE 3.21Å; N284-R317 PolarHBondContact OD1-NH2 3.46Å |
| 285 | L | 95.8 | Very high | 94.2 | Very high | 28 Ų | 28 | 48.1 Ų | 48.1 | 15% | 0.147 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.8 | -43.9 | -174.5 | -173.4 | 60.8 | 0 | 0 | 0 | 111.9 | M248 I251 E252 L255 E281 C282 T288 Y289 | M248-L285 HydrophobicContact CE-CB 3.96Å; M248-L285 HydrophobicContact CE-CD2 3.54Å; M248-L285 HydrophobicContact CE-CG 4.39Å; I251-L285 HydrophobicContact CB-CD2 4.29Å; I251-L285 HydrophobicContact CG2-CD2 3.79Å; I251-L285 HydrophobicContact CG2-CG 4.47Å; E252-L285 HydrophobicContact CB-CD2 3.91Å; E252-L285 HydrophobicContact CG-CD1 4.23Å; E252-L285 HydrophobicContact CG-CD2 4.16Å; L255-L285 HydrophobicContact CD1-CD2 4.19Å; L255-L285 HydrophobicContact CD1-CG 3.77Å; E281-L285 WeakPolarHBondContact O-CB 3.34Å; E281-L285 PolarHBondContact O-N 3.35Å; C282-L285 PolarHBondContact O-N 3.05Å; C282-L285 VanDerWaalsContact O-N 3.14Å; L285-T288 PolarHBondContact O-N 2.59Å; L285-Y289 HydrophobicContact CD1-CD2 4.04Å; L285-Y289 HydrophobicContact CD1-CE2 3.68Å; L285-Y289 WeakPolarHBondContact O-CD2 3.29Å; L285-Y289 PolarHBondContact O-N 2.85Å |
| 286 | L | 96.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.9 | -47.8 | 175.2 | -65.3 | 170.5 | 0 | 0 | 0 | 111.3 | L239 I251 L255 P261 P270 I271 A274 C282 T288 Y289 C290 | L239-L286 HydrophobicContact CD1-CD2 4.42Å; L239-L286 HydrophobicContact CD2-CD2 4.25Å; L239-L286 HydrophobicContact CG-CD2 4.49Å; I251-L286 HydrophobicContact CG2-CD2 4.4Å; L255-L286 HydrophobicContact CD1-CD2 4.36Å; L255-L286 HydrophobicContact CD2-CD2 4.36Å; P261-L286 HydrophobicContact CB-CD2 3.95Å; P270-L286 HydrophobicContact CB-CD1 4.43Å; P270-L286 HydrophobicContact CB-CD2 4.42Å; I271-L286 HydrophobicContact CB-CD1 4.15Å; A274-L286 HydrophobicContact CB-CD1 3.82Å; C282-L286 VanDerWaalsContact O-CG 3.28Å; C282-L286 WeakPolarHBondContact O-CG 3.36Å; C282-L286 PolarHBondContact O-N 3.19Å; L286-T288 VanDerWaalsContact C-N 3.28Å; L286-T288 PolarHBondContact O-N 3.05Å; L286-Y289 PolarHBondContact O-N 3.28Å; L286-C290 PolarHBondContact O-N 2.99Å |
| 287 | C | 94.3 | Very high | 94.2 | Very high | 10 Ų | 10 | 47.6 Ų | 47.6 | 7% | 0.068 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.1 | -24.1 | 178.7 | -61.7 | 0 | 0 | 0 | 0 | 113.4 | V283 N284 C290 P291 L321 | V283-C287 WeakPolarHBondContact O-CB 3.46Å; V283-C287 PolarHBondContact O-N 2.77Å; V283-C287 VanDerWaalsContact O-N 3.1Å; V283-C287 PolarHBondContact O-SG 2.84Å; N284-C287 PolarHBondContact O-N 3.09Å; C287-C290 CarbonylContact O-C 3.48Å; C287-P291 WeakPolarHBondContact O-CA 3.48Å; C287-P291 WeakPolarHBondContact O-CG 3.38Å; C287-L321 HydrophobicContact CB-CD1 4.04Å; C287-L321 HydrophobicContact CB-CD2 4.38Å |
| 288 | T | 94.8 | Very high | 94.3 | Very high | 104 Ų | 104 | 44.7 Ų | 44.7 | 64% | 0.638 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -72.5 | -37.5 | 175 | -70.1 | 0 | 0 | 0 | 0 | 112.2 | N284 L285 L286 | N284-T288 WeakPolarHBondContact O-CB 3.45Å; N284-T288 PolarHBondContact O-N 2.88Å; N284-T288 PolarHBondContact O-OG1 3.28Å; N284-T288 VanDerWaalsContact O-OG1 3.05Å; L285-T288 PolarHBondContact O-N 2.59Å; L286-T288 VanDerWaalsContact C-N 3.28Å; L286-T288 PolarHBondContact O-N 3.05Å |
| 289 | Y | 94.2 | Very high | 94.1 | Very high | 101 Ų | 101 | 45 Ų | 45 | 40% | 0.396 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -85 | -36.9 | 177.8 | -79.5 | -103.6 | 0 | 0 | 0 | 112.4 | L255 K256 L285 L286 | L255-Y289 HydrophobicContact CB-CD1 3.8Å; L255-Y289 HydrophobicContact CB-CD2 4.2Å; L255-Y289 HydrophobicContact CB-CE1 4Å; L255-Y289 HydrophobicContact CB-CE2 4.39Å; L255-Y289 HydrophobicContact CB-CG 3.9Å; L255-Y289 HydrophobicContact CD1-CD2 3.89Å; L255-Y289 HydrophobicContact CD1-CE2 4.4Å; L255-Y289 HydrophobicContact CD1-CG 4.13Å; L255-Y289 HydrophobicContact CD2-CG 4.41Å; L255-Y289 HydrophobicContact CG-CG 4.38Å; K256-Y289 WeakPolarHBondContact CE-OH 3.41Å; K256-Y289 HydrophobicContact CG-CE1 4.3Å; K256-Y289 WeakPolarHBondContact CG-OH 3.34Å; L285-Y289 HydrophobicContact CD1-CD2 4.04Å; L285-Y289 HydrophobicContact CD1-CE2 3.68Å; L285-Y289 WeakPolarHBondContact O-CD2 3.29Å; L285-Y289 PolarHBondContact O-N 2.85Å; L286-Y289 PolarHBondContact O-N 3.28Å |
| 290 | C | 92.9 | Very high | 93.9 | Very high | 22 Ų | 22 | 49.3 Ų | 49.3 | 15% | 0.149 | 26% | 0.264 | C | S | . | . | trans | -134.8 | 90.7 | 175.1 | -172.9 | 0 | 0 | 0 | 0 | 111.3 | P261 L286 C287 N292 C293 | P261-C290 HydrophobicContact CG-CB 3.45Å; P261-C290 VanDerWaalsContact CG-CB 3.45Å; L286-C290 PolarHBondContact O-N 2.99Å; C287-C290 CarbonylContact O-C 3.48Å; C290-N292 PolarHBondContact O-N 3.08Å; C290-N292 VanDerWaalsContact O-N 3.11Å; C290-C293 PolarHBondContact O-N 3.29Å; C290-C293 PolarHBondContact O-SG 2.73Å | ||
| 291 | P | 92.7 | Very high | 93.7 | Very high | 84 Ų | 84 | 49.3 Ų | 49.3 | 55% | 0.545 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -58 | -25.7 | 177.4 | -26.7 | 34.9 | 0 | 0 | 0 | 114.1 | C287 C293 I294 | C287-P291 WeakPolarHBondContact O-CA 3.48Å; C287-P291 WeakPolarHBondContact O-CG 3.38Å; P291-C293 VanDerWaalsContact C-N 3.3Å; P291-C293 PolarHBondContact O-N 2.91Å; P291-I294 WeakPolarHBondContact O-CG2 3.37Å; P291-I294 PolarHBondContact O-N 2.93Å |
| 292 | N | 90.3 | Very high | 93.7 | Very high | 123 Ų | 123 | 47.3 Ų | 47.3 | 66% | 0.658 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -69 | -23.7 | -176.7 | -65.6 | -16.6 | 0 | 0 | 0 | 113.5 | M262 C290 I294 | M262-N292 HydrophobicContact CE-CB 4.37Å; M262-N292 HydrophobicContact SD-CB 3.87Å; C290-N292 PolarHBondContact O-N 3.08Å; C290-N292 VanDerWaalsContact O-N 3.11Å; N292-I294 PolarHBondContact O-N 3.24Å |
| 293 | C | 93.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -68.1 | -16.7 | -178.6 | 72.4 | 0 | 0 | 0 | 0 | 113.5 | M262 I271 C290 P291 N295 L296 | M262-C293 HydrophobicContact CG-CB 4.26Å; I271-C293 HydrophobicContact CG2-CB 4.16Å; C290-C293 PolarHBondContact O-N 3.29Å; C290-C293 PolarHBondContact O-SG 2.73Å; P291-C293 VanDerWaalsContact C-N 3.3Å; P291-C293 PolarHBondContact O-N 2.91Å; C293-N295 PolarHBondContact O-N 2.79Å; C293-L296 WeakPolarHBondContact O-CB 3.39Å; C293-L296 PolarHBondContact O-N 2.81Å; C293-L296 VanDerWaalsContact O-N 3.13Å |
| 294 | I | 94.5 | Very high | 93.6 | Very high | 10 Ų | 10 | 48.4 Ų | 48.4 | 5% | 0.051 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -55.6 | -25.1 | -179.2 | -166.8 | 65.3 | 0 | 0 | 0 | 114.4 | P291 N292 P305 L318 L321 A323 | P291-I294 WeakPolarHBondContact O-CG2 3.37Å; P291-I294 PolarHBondContact O-N 2.93Å; N292-I294 PolarHBondContact O-N 3.24Å; I294-P305 WeakPolarHBondContact O-CD 3.31Å; I294-L318 HydrophobicContact CD1-CB 4.37Å; I294-L318 HydrophobicContact CD1-CD2 3.38Å; I294-L318 HydrophobicContact CD1-CG 4.47Å; I294-L321 HydrophobicContact CD1-CB 3.72Å; I294-L321 HydrophobicContact CD1-CD1 4.36Å; I294-L321 HydrophobicContact CG1-CB 4.19Å; I294-A323 HydrophobicContact CD1-CB 4.26Å; I294-A323 HydrophobicContact CG1-CB 3.96Å |
| 295 | N | 94.4 | Very high | 93.6 | Very high | 58 Ų | 58 | 46.6 Ų | 46.6 | 31% | 0.31 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -123.9 | 13.2 | -178.2 | -73.5 | -48.1 | 0 | 0 | 0 | 113.3 | C293 P297 T304 G322 A323 N324 | C293-N295 PolarHBondContact O-N 2.79Å; N295-P297 WeakPolarHBondContact O-CD 3.14Å; N295-T304 WeakPolarHBondContact O-CG2 3.29Å; N295-G322 PolarHBondContact ND2-O 3.22Å; N295-G322 VanDerWaalsContact ND2-O 3.1Å; N295-A323 WeakPolarHBondContact OD1-CA 3.49Å; N295-N324 WeakPolarHBondContact OD1-CB 3.44Å; N295-N324 PolarHBondContact OD1-N 2.86Å |
| 296 | L | 94.2 | Very high | 93.5 | Very high | 27 Ų | 27 | 45.2 Ų | 45.2 | 14% | 0.141 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -72.4 | 117.5 | 179.8 | 176.3 | 60.7 | 0 | 0 | 0 | 110.1 | M262 F269 H272 C293 P305 | M262-L296 HydrophobicContact CB-CD2 4.11Å; M262-L296 HydrophobicContact CE-CD1 4.07Å; M262-L296 HydrophobicContact CE-CD2 4.21Å; M262-L296 HydrophobicContact CG-CD2 4.1Å; F269-L296 HydrophobicContact CB-CD2 3.88Å; F269-L296 HydrophobicContact CD1-CD2 3.81Å; F269-L296 HydrophobicContact CD2-CD1 4.3Å; F269-L296 HydrophobicContact CD2-CD2 3.55Å; F269-L296 HydrophobicContact CD2-CG 3.65Å; F269-L296 HydrophobicContact CE1-CD2 4.21Å; F269-L296 HydrophobicContact CE2-CD1 3.98Å; F269-L296 HydrophobicContact CE2-CD2 3.97Å; F269-L296 HydrophobicContact CE2-CG 3.84Å; F269-L296 HydrophobicContact CG-CD2 3.46Å; F269-L296 VanDerWaalsContact CG-CD2 3.46Å; F269-L296 HydrophobicContact CG-CG 4.11Å; F269-L296 HydrophobicContact CZ-CD1 4.29Å; F269-L296 HydrophobicContact CZ-CD2 4.27Å; F269-L296 HydrophobicContact CZ-CG 4.45Å; H272-L296 PolarHBondContact CE1-O 3.38Å; H272-L296 PolarHBondContact NE2-O 2.73Å; C293-L296 WeakPolarHBondContact O-CB 3.39Å; C293-L296 PolarHBondContact O-N 2.81Å; C293-L296 VanDerWaalsContact O-N 3.13Å; L296-P305 WeakPolarHBondContact O-CD 3.44Å |
| 297 | P | 94.2 | Very high | 93.4 | Very high | 46 Ų | 46 | 45.5 Ų | 45.5 | 30% | 0.299 | 25% | 0.245 | S | C | . | . | P | Polyproline II helix | trans | -63.7 | 151.6 | 175.9 | 23.8 | -33.8 | 0 | 0 | 0 | 113.5 | F269 N295 H302 T304 | F269-P297 WeakPolarHBondContact CD2-O 3.38Å; F269-P297 VanDerWaalsContact CE2-O 3.25Å; F269-P297 WeakPolarHBondContact CE2-O 3.41Å; N295-P297 WeakPolarHBondContact O-CD 3.14Å; P297-H302 HydrophobicContact CB-CB 3.97Å; P297-T304 HydrophobicContact CB-CG2 4.39Å |
| 298 | D | 93.4 | Very high | 93.4 | Very high | 9 Ų | 9 | 46.2 Ų | 46.2 | 5% | 0.048 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -66 | 162.5 | 162.6 | 80.6 | 11.1 | 0 | 0 | 0 | 111.8 | N301 H302 N303 | D298-N301 WeakPolarHBondContact OD1-CA 3.45Å; D298-N301 PolarHBondContact OD1-N 2.72Å; D298-N301 PolarHBondContact OD2-ND2 3.29Å; D298-H302 WeakPolarHBondContact O-CA 3.38Å; D298-H302 PolarHBondContact O-N 3.27Å; D298-H302 PolarHBondContact OD1-N 2.74Å; D298-N303 PolarHBondContact N-O 2.54Å; D298-N303 PolarHBondContact OD1-N 2.95Å; D298-N303 WeakPolarHBondContact OD2-CB 3.39Å; D298-N303 PolarHBondContact OD2-ND2 2.78Å |
| 299 | L | 90.3 | Very high | 93.2 | Very high | 75 Ų | 75 | 41.3 Ų | 41.3 | 39% | 0.393 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -7 | -171.9 | -64.7 | 172.5 | 0 | 0 | 0 | 113.8 | E265 F269 | E265-L299 VanDerWaalsContact C-CD1 3.47Å; E265-L299 VanDerWaalsContact O-CD1 3.28Å; E265-L299 WeakPolarHBondContact O-CD1 3.31Å; F269-L299 HydrophobicContact CE1-CD1 4.48Å; F269-L299 HydrophobicContact CE2-CD1 4.08Å; F269-L299 HydrophobicContact CE2-CD2 3.87Å; F269-L299 HydrophobicContact CE2-CG 3.71Å; F269-L299 HydrophobicContact CZ-CD1 3.83Å; F269-L299 HydrophobicContact CZ-CD2 3.86Å; F269-L299 HydrophobicContact CZ-CG 3.88Å |
| 300 | I | 89.6 | Confident | 92.8 | Very high | 101 Ų | 101 | 43.6 Ų | 43.6 | 52% | 0.518 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | -35.9 | -177 | -61 | -174.6 | 0 | 0 | 0 | 112.3 | F266 E267 | F266-I300 WeakPolarHBondContact O-CG1 3.37Å; E267-I300 HydrophobicContact CB-CD1 4.46Å; E267-I300 HydrophobicContact CG-CD1 4.36Å |
| 301 | N | 91.1 | Very high | 92.5 | Very high | 72 Ų | 72 | 44.8 Ų | 44.8 | 39% | 0.385 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -134.5 | 1.5 | -172.6 | -47.3 | -91.5 | 0 | 0 | 0 | 113 | D298 N303 N329 D330 | D298-N301 WeakPolarHBondContact OD1-CA 3.45Å; D298-N301 PolarHBondContact OD1-N 2.72Å; D298-N301 PolarHBondContact OD2-ND2 3.29Å; N301-N303 WeakPolarHBondContact CB-ND2 3.35Å; N301-N303 PolarHBondContact O-N 2.67Å; N301-N329 VanDerWaalsContact O-CB 3.27Å; N301-N329 WeakPolarHBondContact O-CB 3.24Å; N301-D330 WeakPolarHBondContact CA-OD2 3.45Å; N301-D330 WeakPolarHBondContact O-CB 3.45Å; N301-D330 PolarHBondContact O-N 3.16Å |
| 302 | H | 93.7 | Very high | 91.9 | Very high | 83 Ų | 83 | 44.5 Ų | 44.5 | 38% | 0.384 | 24% | 0.237 | S | C | . | . | trans | 53.5 | 30.5 | -166.9 | -63.7 | 80.5 | 0 | 0 | 0 | 115 | P297 D298 T304 D330 | P297-H302 HydrophobicContact CB-CB 3.97Å; D298-H302 WeakPolarHBondContact O-CA 3.38Å; D298-H302 PolarHBondContact O-N 3.27Å; D298-H302 PolarHBondContact OD1-N 2.74Å; H302-T304 PolarHBondContact O-N 3.14Å; H302-D330 IonicContact CE1-OD1 2.71Å; H302-D330 IonicContact CE1-OD2 3.74Å; H302-D330 IonicContact CG-OD1 2.71Å; H302-D330 IonicContact CG-OD2 2.69Å; H302-D330 PolarHBondContact N-OD2 2.79Å; H302-D330 IonicContact ND1-OD1 3.1Å; H302-D330 PolarHBondContact ND1-OD1 2.89Å; H302-D330 IonicContact ND1-OD2 2.69Å; H302-D330 PolarHBondContact ND1-OD2 3.33Å | ||
| 303 | N | 94.7 | Very high | 91.8 | Very high | 16 Ų | 16 | 46 Ų | 46 | 9% | 0.086 | 24% | 0.238 | C | C | . | . | trans | -71.1 | 112.8 | 173 | -63 | -51.6 | 0 | 0 | 0 | 109.8 | H272 D298 N301 H307 L308 N329 | H272-N303 PolarHBondContact NE2-O 3.02Å; D298-N303 PolarHBondContact N-O 2.54Å; D298-N303 PolarHBondContact OD1-N 2.95Å; D298-N303 WeakPolarHBondContact OD2-CB 3.39Å; D298-N303 PolarHBondContact OD2-ND2 2.78Å; N301-N303 WeakPolarHBondContact CB-ND2 3.35Å; N301-N303 PolarHBondContact O-N 2.67Å; N303-H307 HydrophobicContact CB-CB 3.93Å; N303-L308 HydrophobicContact CB-CD2 4.02Å; N303-L308 HydrophobicContact CB-CG 4.49Å; N303-N329 WeakPolarHBondContact OD1-CB 3.43Å; N303-N329 PolarHBondContact OD1-ND2 2.88Å | ||
| 304 | T | 95.2 | Very high | 91.7 | Very high | 9 Ų | 9 | 46.2 Ų | 46.2 | 6% | 0.055 | 24% | 0.239 | C | C | . | . | trans | -66.4 | 161.3 | 165 | 65.8 | 0 | 0 | 0 | 0 | 110.7 | N295 P297 H302 I306 H307 A327 | N295-T304 WeakPolarHBondContact O-CG2 3.29Å; P297-T304 HydrophobicContact CB-CG2 4.39Å; H302-T304 PolarHBondContact O-N 3.14Å; T304-I306 PolarHBondContact O-N 3.02Å; T304-H307 PolarHBondContact N-ND1 3.44Å; T304-H307 WeakPolarHBondContact O-CB 3.38Å; T304-H307 PolarHBondContact O-N 3.14Å; T304-H307 PolarHBondContact O-ND1 3.4Å; T304-H307 PolarHBondContact OG1-CE1 2.91Å; T304-H307 PolarHBondContact OG1-ND1 3.44Å; T304-A327 HydrophobicContact CG2-CB 3.89Å | ||
| 305 | P | 95.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -57.6 | -25.7 | -170.4 | -25.5 | 34.9 | 0 | 0 | 0 | 113.9 | I271 V275 I294 L296 H307 L308 | I271-P305 HydrophobicContact CD1-CB 4.39Å; I271-P305 HydrophobicContact CD1-CG 4.09Å; I271-P305 HydrophobicContact CG1-CB 4.15Å; I271-P305 HydrophobicContact CG1-CG 4.03Å; I271-P305 HydrophobicContact CG2-CG 3.86Å; V275-P305 HydrophobicContact CG2-CB 4.1Å; I294-P305 WeakPolarHBondContact O-CD 3.31Å; L296-P305 WeakPolarHBondContact O-CD 3.44Å; P305-H307 VanDerWaalsContact C-N 3.33Å; P305-H307 PolarHBondContact O-N 3.28Å; P305-L308 PolarHBondContact O-N 2.97Å |
| 306 | I | 94.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -68.2 | -28.6 | 178.4 | -143.2 | -173.8 | 0 | 0 | 0 | 113.3 | T304 L308 V309 F315 L318 A323 L325 I335 | T304-I306 PolarHBondContact O-N 3.02Å; I306-L308 VanDerWaalsContact C-N 3.26Å; I306-L308 PolarHBondContact O-N 3.47Å; I306-V309 HydrophobicContact CG1-CG2 4.36Å; I306-V309 WeakPolarHBondContact O-CB 3.37Å; I306-V309 VanDerWaalsContact O-CG2 3.23Å; I306-V309 WeakPolarHBondContact O-CG2 3.49Å; I306-V309 PolarHBondContact O-N 2.93Å; I306-F315 HydrophobicContact CD1-CD2 4.24Å; I306-F315 HydrophobicContact CD1-CE2 3.92Å; I306-F315 HydrophobicContact CG1-CD2 4.31Å; I306-F315 HydrophobicContact CG1-CE2 4.46Å; I306-L318 HydrophobicContact CG1-CB 4.47Å; I306-L318 HydrophobicContact CG1-CD1 4.34Å; I306-A323 HydrophobicContact CB-CB 4.31Å; I306-A323 HydrophobicContact CD1-CB 3.88Å; I306-A323 HydrophobicContact CG1-CB 4.21Å; I306-L325 HydrophobicContact CD1-CD2 3.34Å; I306-I335 HydrophobicContact CD1-CD1 4.43Å; I306-I335 HydrophobicContact CG1-CD1 4.06Å; I306-I335 HydrophobicContact CG2-CB 4.34Å; I306-I335 HydrophobicContact CG2-CG2 4.27Å; I306-I335 WeakPolarHBondContact O-CD1 3.38Å |
| 307 | H | 94.5 | Very high | 90.6 | Very high | 5 Ų | 5 | 47.9 Ų | 47.9 | 2% | 0.023 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -67.9 | -27.5 | 178.3 | -68.5 | 88.9 | 0 | 0 | 0 | 112.5 | N303 T304 P305 V309 A327 L333 I335 M338 | N303-H307 HydrophobicContact CB-CB 3.93Å; T304-H307 PolarHBondContact N-ND1 3.44Å; T304-H307 WeakPolarHBondContact O-CB 3.38Å; T304-H307 PolarHBondContact O-N 3.14Å; T304-H307 PolarHBondContact O-ND1 3.4Å; T304-H307 PolarHBondContact OG1-CE1 2.91Å; T304-H307 PolarHBondContact OG1-ND1 3.44Å; P305-H307 VanDerWaalsContact C-N 3.33Å; P305-H307 PolarHBondContact O-N 3.28Å; H307-V309 VanDerWaalsContact C-N 3.28Å; H307-V309 PolarHBondContact O-N 3.36Å; H307-A327 PolarHBondContact CE1-O 2.74Å; H307-A327 PolarHBondContact NE2-O 3.19Å; H307-L333 PolarHBondContact NE2-O 3.15Å; H307-I335 PolarHBondContact CD2-N 3.31Å; H307-I335 PolarHBondContact NE2-N 2.87Å; H307-M338 HydrophobicContact CB-SD 4.07Å; H307-M338 VanDerWaalsContact O-CE 3.3Å; H307-M338 WeakPolarHBondContact O-CE 3.31Å |
| 308 | L | 93.1 | Very high | 90.5 | Very high | 25 Ų | 25 | 45.7 Ų | 45.7 | 13% | 0.131 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -84.4 | 2.6 | -178.5 | -54.8 | -174 | 0 | 0 | 0 | 113.5 | H272 V275 N303 P305 I306 H310 | H272-L308 HydrophobicContact CB-CD1 3.69Å; V275-L308 HydrophobicContact CG1-CB 4.02Å; N303-L308 HydrophobicContact CB-CD2 4.02Å; N303-L308 HydrophobicContact CB-CG 4.49Å; P305-L308 PolarHBondContact O-N 2.97Å; I306-L308 VanDerWaalsContact C-N 3.26Å; I306-L308 PolarHBondContact O-N 3.47Å; L308-H310 PolarHBondContact O-CD2 3.25Å; L308-H310 PolarHBondContact O-N 3.15Å |
| 309 | V | 91.5 | Very high | 90 | Very high | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.012 | 25% | 0.245 | C | C | . | . | trans | -80.1 | 115.6 | -169.5 | -178.7 | 0 | 0 | 0 | 0 | 112 | V275 I306 H307 N311 I314 F315 L318 K339 | V275-V309 HydrophobicContact CG1-CG2 3.84Å; I306-V309 HydrophobicContact CG1-CG2 4.36Å; I306-V309 WeakPolarHBondContact O-CB 3.37Å; I306-V309 VanDerWaalsContact O-CG2 3.23Å; I306-V309 WeakPolarHBondContact O-CG2 3.49Å; I306-V309 PolarHBondContact O-N 2.93Å; H307-V309 VanDerWaalsContact C-N 3.28Å; H307-V309 PolarHBondContact O-N 3.36Å; V309-N311 VanDerWaalsContact CG1-O 3.24Å; V309-N311 WeakPolarHBondContact CG1-O 3.27Å; V309-I314 HydrophobicContact CG1-CB 4.13Å; V309-I314 HydrophobicContact CG1-CG2 4.24Å; V309-I314 HydrophobicContact CG2-CG2 4.21Å; V309-F315 HydrophobicContact CG1-CB 3.75Å; V309-L318 HydrophobicContact CG2-CD1 3.36Å; V309-K339 WeakPolarHBondContact O-CE 3.37Å; V309-K339 PolarHBondContact O-NZ 2.56Å | ||
| 310 | H | 85.9 | Confident | 89.8 | Confident | 149 Ų | 149 | 49.5 Ų | 49.5 | 69% | 0.69 | 25% | 0.254 | S | S | * | . | trans | -95.3 | -21.3 | 170.8 | -60.8 | -65.9 | 0 | 0 | 0 | 113.5 | L308 | L308-H310 PolarHBondContact O-CD2 3.25Å; L308-H310 PolarHBondContact O-N 3.15Å | ||
| 311 | N | 86.8 | Confident | 89.8 | Confident | 47 Ų | 47 | 47.2 Ų | 47.2 | 25% | 0.251 | 24% | 0.243 | S | C | . | . | trans | -112.1 | 127.8 | -172 | -171.8 | -37.8 | 0 | 0 | 0 | 113.3 | D278 V309 K313 I314 F315 | D278-N311 VanDerWaalsContact CG-CB 3.46Å; D278-N311 WeakPolarHBondContact OD1-CB 3.45Å; D278-N311 VanDerWaalsContact OD2-CB 3.27Å; D278-N311 WeakPolarHBondContact OD2-CB 3.22Å; D278-N311 PolarHBondContact OD2-ND2 3.03Å; V309-N311 VanDerWaalsContact CG1-O 3.24Å; V309-N311 WeakPolarHBondContact CG1-O 3.27Å; N311-K313 PolarHBondContact O-N 3.02Å; N311-K313 WeakPolarHBondContact OD1-CB 3.36Å; N311-K313 PolarHBondContact OD1-N 2.86Å; N311-I314 HydrophobicContact CB-CB 4.44Å; N311-I314 HydrophobicContact CB-CG1 4.11Å; N311-I314 PolarHBondContact O-N 3.22Å; N311-F315 PolarHBondContact O-N 3.4Å | ||
| 312 | S | 80.4 | Confident | 89.7 | Confident | 78 Ų | 78 | 46 Ų | 46 | 55% | 0.545 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62 | -24.7 | -177.6 | 59.1 | 0 | 0 | 0 | 0 | 114.3 | G316 | S312-G316 PolarHBondContact O-N 2.94Å |
| 313 | K | 87.3 | Confident | 89.7 | Confident | 155 Ų | 155 | 42.4 Ų | 42.4 | 67% | 0.674 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -70.8 | -40.1 | 173.1 | -63.8 | 179.8 | -178.5 | 175.3 | 0 | 112.1 | N311 R317 | N311-K313 PolarHBondContact O-N 3.02Å; N311-K313 WeakPolarHBondContact OD1-CB 3.36Å; N311-K313 PolarHBondContact OD1-N 2.86Å; K313-R317 WeakPolarHBondContact O-CB 3.28Å; K313-R317 PolarHBondContact O-N 3.01Å; K313-R317 VanDerWaalsContact O-N 3.12Å |
| 314 | I | 91.4 | Very high | 89.7 | Confident | 3 Ų | 3 | 45.1 Ų | 45.1 | 2% | 0.015 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.5 | -43.6 | 175.1 | -58.8 | -64.4 | 0 | 0 | 0 | 109.3 | V275 L280 V309 N311 G316 R317 L318 | V275-I314 HydrophobicContact CG1-CG2 4.13Å; V275-I314 HydrophobicContact CG2-CG2 4.15Å; L280-I314 HydrophobicContact CB-CD1 3.82Å; L280-I314 HydrophobicContact CD1-CD1 3.96Å; V309-I314 HydrophobicContact CG1-CB 4.13Å; V309-I314 HydrophobicContact CG1-CG2 4.24Å; V309-I314 HydrophobicContact CG2-CG2 4.21Å; N311-I314 HydrophobicContact CB-CB 4.44Å; N311-I314 HydrophobicContact CB-CG1 4.11Å; N311-I314 PolarHBondContact O-N 3.22Å; I314-G316 PolarHBondContact O-N 2.93Å; I314-R317 PolarHBondContact O-N 3.01Å; I314-L318 HydrophobicContact CG2-CD1 3.76Å; I314-L318 HydrophobicContact CG2-CG 4.1Å; I314-L318 WeakPolarHBondContact O-CG 3.34Å; I314-L318 PolarHBondContact O-N 3.38Å |
| 315 | F | 87.4 | Confident | 89.6 | Confident | 12 Ų | 12 | 45.3 Ų | 45.3 | 5% | 0.053 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -54.2 | -56.3 | 175 | 175.1 | -105.2 | 0 | 0 | 0 | 111.9 | I306 V309 N311 R317 L318 F319 L325 I335 A350 L351 | I306-F315 HydrophobicContact CD1-CD2 4.24Å; I306-F315 HydrophobicContact CD1-CE2 3.92Å; I306-F315 HydrophobicContact CG1-CD2 4.31Å; I306-F315 HydrophobicContact CG1-CE2 4.46Å; V309-F315 HydrophobicContact CG1-CB 3.75Å; N311-F315 PolarHBondContact O-N 3.4Å; F315-R317 PolarHBondContact O-N 2.86Å; F315-L318 PolarHBondContact O-N 3.48Å; F315-F319 PolarHBondContact O-N 2.76Å; F315-L325 HydrophobicContact CE2-CD2 4.04Å; F315-L325 HydrophobicContact CZ-CD2 4.24Å; F315-I335 HydrophobicContact CD2-CD1 4.09Å; F315-I335 HydrophobicContact CE2-CD1 4.14Å; F315-A350 HydrophobicContact CD1-CB 4.5Å; F315-A350 HydrophobicContact CE1-CB 3.9Å; F315-L351 HydrophobicContact CE2-CD2 3.51Å; F315-L351 HydrophobicContact CE2-CG 3.97Å; F315-L351 HydrophobicContact CZ-CD2 3.61Å; F315-L351 HydrophobicContact CZ-CG 3.81Å |
| 316 | G | 83.5 | Confident | 89.6 | Confident | 29 Ų | 29 | 48 Ų | 48 | 30% | 0.299 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.3 | -32 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | S312 I314 V320 | S312-G316 PolarHBondContact O-N 2.94Å; I314-G316 PolarHBondContact O-N 2.93Å; G316-V320 WeakPolarHBondContact O-CG2 3.32Å; G316-V320 PolarHBondContact O-N 3.13Å |
| 317 | R | 89.2 | Confident | 89.6 | Confident | 89 Ų | 89 | 48.5 Ų | 48.5 | 34% | 0.336 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -77 | -43.2 | 176.7 | -173.6 | 55.4 | 172.4 | 173.3 | 0.9 | 113.3 | L280 N284 K313 I314 F315 F319 V320 L321 | L280-R317 HydrophobicContact CD1-CB 3.5Å; L280-R317 HydrophobicContact CD1-CG 3.65Å; N284-R317 PolarHBondContact OD1-NE 3.21Å; N284-R317 PolarHBondContact OD1-NH2 3.46Å; K313-R317 WeakPolarHBondContact O-CB 3.28Å; K313-R317 PolarHBondContact O-N 3.01Å; K313-R317 VanDerWaalsContact O-N 3.12Å; I314-R317 PolarHBondContact O-N 3.01Å; F315-R317 PolarHBondContact O-N 2.86Å; R317-F319 VanDerWaalsContact C-N 3.28Å; R317-F319 PolarHBondContact O-N 3.4Å; R317-V320 PolarHBondContact O-N 3.19Å; R317-V320 VanDerWaalsContact O-N 3.14Å; R317-L321 HydrophobicContact CG-CD1 3.97Å; R317-L321 HydrophobicContact CG-CG 4.42Å; R317-L321 WeakPolarHBondContact O-CG 3.4Å; R317-L321 PolarHBondContact O-N 3.14Å |
| 318 | L | 91.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.2 | -40.8 | 175.5 | -69.9 | 172 | 0 | 0 | 0 | 110.8 | V275 V283 I294 I306 V309 I314 F315 L321 G322 A323 | V275-L318 HydrophobicContact CG2-CD1 4Å; V275-L318 HydrophobicContact CG2-CD2 4.34Å; V283-L318 HydrophobicContact CG1-CD2 3.61Å; V283-L318 HydrophobicContact CG1-CG 4.49Å; I294-L318 HydrophobicContact CD1-CB 4.37Å; I294-L318 HydrophobicContact CD1-CD2 3.38Å; I294-L318 HydrophobicContact CD1-CG 4.47Å; I306-L318 HydrophobicContact CG1-CB 4.47Å; I306-L318 HydrophobicContact CG1-CD1 4.34Å; V309-L318 HydrophobicContact CG2-CD1 3.36Å; I314-L318 HydrophobicContact CG2-CD1 3.76Å; I314-L318 HydrophobicContact CG2-CG 4.1Å; I314-L318 WeakPolarHBondContact O-CG 3.34Å; I314-L318 PolarHBondContact O-N 3.38Å; F315-L318 PolarHBondContact O-N 3.48Å; L318-L321 CarbonylContact O-C 3.5Å; L318-L321 PolarHBondContact O-N 3.39Å; L318-L321 VanDerWaalsContact O-N 3.15Å; L318-G322 PolarHBondContact O-N 2.89Å; L318-A323 HydrophobicContact CB-CB 3.87Å; L318-A323 WeakPolarHBondContact O-CB 3.3Å; L318-A323 PolarHBondContact O-N 3.25Å |
| 319 | F | 83.3 | Confident | 89.9 | Confident | 69 Ų | 69 | 53.3 Ų | 53.3 | 30% | 0.303 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -57.3 | -48.9 | 171.3 | 173.6 | -95.9 | 0 | 0 | 0 | 112.2 | F315 R317 L321 G322 L325 H354 | F315-F319 PolarHBondContact O-N 2.76Å; R317-F319 VanDerWaalsContact C-N 3.28Å; R317-F319 PolarHBondContact O-N 3.4Å; F319-L321 PolarHBondContact O-N 3.06Å; F319-G322 PolarHBondContact O-N 3.1Å; F319-L325 HydrophobicContact CD2-CD1 4.2Å; F319-L325 HydrophobicContact CD2-CD2 4.13Å; F319-L325 HydrophobicContact CD2-CG 4.4Å; F319-L325 HydrophobicContact CE2-CD1 4.32Å; F319-H354 AromaticContact CD1-CE1 3.75Å; F319-H354 AromaticContact CD1-ND1 3.38Å; F319-H354 WeakPolarHBondContact CD1-ND1 3.13Å; F319-H354 HydrophobicContact CD2-CB 4Å; F319-H354 AromaticContact CD2-ND1 4Å; F319-H354 AromaticContact CE1-CE1 3.61Å; F319-H354 AromaticContact CE1-ND1 3.04Å; F319-H354 WeakPolarHBondContact CE1-ND1 3.12Å; F319-H354 HydrophobicContact CE2-CB 3.73Å; F319-H354 AromaticContact CE2-ND1 3.68Å; F319-H354 AromaticContact CG-ND1 3.86Å; F319-H354 HydrophobicContact CZ-CB 4.09Å; F319-H354 AromaticContact CZ-ND1 3.2Å; F319-H354 WeakPolarHBondContact CZ-ND1 3.41Å |
| 320 | V | 85.7 | Confident | 90.1 | Very high | 96 Ų | 96 | 57.1 Ų | 57.1 | 58% | 0.582 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -62.9 | -25.7 | 176.9 | 167.2 | 0 | 0 | 0 | 0 | 112.8 | G316 R317 | G316-V320 WeakPolarHBondContact O-CG2 3.32Å; G316-V320 PolarHBondContact O-N 3.13Å; R317-V320 PolarHBondContact O-N 3.19Å; R317-V320 VanDerWaalsContact O-N 3.14Å |
| 321 | L | 89.9 | Confident | 90.6 | Very high | 53 Ų | 53 | 55.3 Ų | 55.3 | 28% | 0.277 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -0.6 | 175.1 | -67 | 170.2 | 0 | 0 | 0 | 113.8 | V283 C287 I294 R317 L318 F319 | V283-L321 HydrophobicContact CG1-CD1 4.15Å; C287-L321 HydrophobicContact CB-CD1 4.04Å; C287-L321 HydrophobicContact CB-CD2 4.38Å; I294-L321 HydrophobicContact CD1-CB 3.72Å; I294-L321 HydrophobicContact CD1-CD1 4.36Å; I294-L321 HydrophobicContact CG1-CB 4.19Å; R317-L321 HydrophobicContact CG-CD1 3.97Å; R317-L321 HydrophobicContact CG-CG 4.42Å; R317-L321 WeakPolarHBondContact O-CG 3.4Å; R317-L321 PolarHBondContact O-N 3.14Å; L318-L321 CarbonylContact O-C 3.5Å; L318-L321 PolarHBondContact O-N 3.39Å; L318-L321 VanDerWaalsContact O-N 3.15Å; F319-L321 PolarHBondContact O-N 3.06Å |
| 322 | G | 89.6 | Confident | 91.1 | Very high | 46 Ų | 46 | 53.2 Ų | 53.2 | 47% | 0.474 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.8 | 24 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | N295 L318 F319 | N295-G322 PolarHBondContact ND2-O 3.22Å; N295-G322 VanDerWaalsContact ND2-O 3.1Å; L318-G322 PolarHBondContact O-N 2.89Å; F319-G322 PolarHBondContact O-N 3.1Å |
| 323 | A | 93.7 | Very high | 91.9 | Very high | 8 Ų | 8 | 50 Ų | 50 | 7% | 0.066 | 26% | 0.264 | C | S | . | . | trans | -63.2 | 134 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I294 N295 I306 L318 L325 | I294-A323 HydrophobicContact CD1-CB 4.26Å; I294-A323 HydrophobicContact CG1-CB 3.96Å; N295-A323 WeakPolarHBondContact OD1-CA 3.49Å; I306-A323 HydrophobicContact CB-CB 4.31Å; I306-A323 HydrophobicContact CD1-CB 3.88Å; I306-A323 HydrophobicContact CG1-CB 4.21Å; L318-A323 HydrophobicContact CB-CB 3.87Å; L318-A323 WeakPolarHBondContact O-CB 3.3Å; L318-A323 PolarHBondContact O-N 3.25Å; A323-L325 PolarHBondContact O-N 2.98Å | ||
| 324 | N | 93.7 | Very high | 92.4 | Very high | 72 Ų | 72 | 42.6 Ų | 42.6 | 39% | 0.385 | 23% | 0.232 | S | C | . | . | trans | -80.3 | 108.8 | -178.3 | 179.5 | 16.6 | 0 | 0 | 0 | 110.8 | N295 D326 A327 | N295-N324 WeakPolarHBondContact OD1-CB 3.44Å; N295-N324 PolarHBondContact OD1-N 2.86Å; N324-D326 PolarHBondContact O-N 2.94Å; N324-D326 PolarHBondContact OD1-N 2.98Å; N324-A327 HydrophobicContact CB-CB 4.2Å; N324-A327 PolarHBondContact ND2-N 3.24Å; N324-A327 WeakPolarHBondContact O-CB 3.46Å; N324-A327 PolarHBondContact O-N 2.96Å | ||
| 325 | L | 92.7 | Very high | 92.6 | Very high | 13 Ų | 13 | 42.5 Ų | 42.5 | 7% | 0.068 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -25.4 | 177.7 | -50.4 | -173.8 | 0 | 0 | 0 | 113 | I306 F315 F319 A323 L351 H354 A356 | I306-L325 HydrophobicContact CD1-CD2 3.34Å; F315-L325 HydrophobicContact CE2-CD2 4.04Å; F315-L325 HydrophobicContact CZ-CD2 4.24Å; F319-L325 HydrophobicContact CD2-CD1 4.2Å; F319-L325 HydrophobicContact CD2-CD2 4.13Å; F319-L325 HydrophobicContact CD2-CG 4.4Å; F319-L325 HydrophobicContact CE2-CD1 4.32Å; A323-L325 PolarHBondContact O-N 2.98Å; L325-L351 HydrophobicContact CB-CD2 4.3Å; L325-L351 HydrophobicContact CD1-CD2 4.31Å; L325-L351 HydrophobicContact CD2-CD2 3.96Å; L325-L351 HydrophobicContact CG-CD2 4.41Å; L325-H354 HydrophobicContact CD1-CB 3.92Å; L325-A356 HydrophobicContact CB-CB 3.8Å; L325-A356 HydrophobicContact CD1-CB 3.98Å |
| 326 | D | 95.2 | Very high | 93.1 | Very high | 57 Ų | 57 | 41.9 Ų | 41.9 | 31% | 0.305 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 7.7 | -175.2 | -64.5 | -24.8 | 0 | 0 | 0 | 112.7 | N324 A356 D357 L360 | N324-D326 PolarHBondContact O-N 2.94Å; N324-D326 PolarHBondContact OD1-N 2.98Å; D326-A356 WeakPolarHBondContact OD1-CA 3.4Å; D326-D357 PolarHBondContact OD1-N 3.26Å; D326-L360 HydrophobicContact CB-CD1 3.54Å; D326-L360 WeakPolarHBondContact OD1-CD1 3.15Å |
| 327 | A | 95.9 | Very high | 93.8 | Very high | 11 Ų | 11 | 40.5 Ų | 40.5 | 9% | 0.091 | 22% | 0.215 | C | C | . | . | trans | -59.2 | 147.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | T304 H307 N324 T334 | T304-A327 HydrophobicContact CG2-CB 3.89Å; H307-A327 PolarHBondContact CE1-O 2.74Å; H307-A327 PolarHBondContact NE2-O 3.19Å; N324-A327 HydrophobicContact CB-CB 4.2Å; N324-A327 PolarHBondContact ND2-N 3.24Å; N324-A327 WeakPolarHBondContact O-CB 3.46Å; N324-A327 PolarHBondContact O-N 2.96Å; A327-T334 WeakPolarHBondContact O-CA 3.36Å; A327-T334 WeakPolarHBondContact O-CG2 3.42Å | ||
| 328 | R | 97 | Very high | 94.1 | Very high | 113 Ų | 113 | 37.8 Ų | 37.8 | 43% | 0.426 | 21% | 0.206 | S | C | . | . | trans | -124 | 140.4 | -179.2 | -63.5 | -178.5 | -175 | -160.6 | -3.7 | 111 | G332 L333 T334 R361 | R328-G332 WeakPolarHBondContact CD-O 3.45Å; R328-L333 VanDerWaalsContact CA-O 3.32Å; R328-L333 WeakPolarHBondContact CA-O 3.29Å; R328-T334 HydrophobicContact CG-CG2 3.88Å; R328-R361 PolarHBondContact NH1-O 3.47Å; R328-R361 PolarHBondContact NH2-O 2.97Å | ||
| 329 | N | 96.4 | Very high | 94.3 | Very high | 18 Ų | 18 | 38.6 Ų | 38.6 | 10% | 0.096 | 21% | 0.21 | C | C | . | . | trans | -89.8 | -177 | 172.4 | 83.7 | -4.4 | 0 | 0 | 0 | 111.6 | N301 N303 L331 G332 L333 | N301-N329 VanDerWaalsContact O-CB 3.27Å; N301-N329 WeakPolarHBondContact O-CB 3.24Å; N303-N329 WeakPolarHBondContact OD1-CB 3.43Å; N303-N329 PolarHBondContact OD1-ND2 2.88Å; N329-L331 PolarHBondContact O-N 3Å; N329-L331 VanDerWaalsContact O-N 3.13Å; N329-L331 PolarHBondContact OD1-N 2.86Å; N329-L331 VanDerWaalsContact OD1-N 3.1Å; N329-G332 WeakPolarHBondContact O-CA 3.33Å; N329-G332 PolarHBondContact O-N 3.47Å; N329-L333 PolarHBondContact N-O 3.39Å; N329-L333 WeakPolarHBondContact OD1-CB 3.4Å; N329-L333 PolarHBondContact OD1-N 3.04Å | ||
| 330 | D | 95.9 | Very high | 94.9 | Very high | 81 Ų | 81 | 35.3 Ų | 35.3 | 43% | 0.433 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -23.9 | -175.8 | -84 | -46.1 | 0 | 0 | 0 | 114.8 | N301 H302 G332 N363 | N301-D330 WeakPolarHBondContact CA-OD2 3.45Å; N301-D330 WeakPolarHBondContact O-CB 3.45Å; N301-D330 PolarHBondContact O-N 3.16Å; H302-D330 IonicContact CE1-OD1 2.71Å; H302-D330 IonicContact CE1-OD2 3.74Å; H302-D330 IonicContact CG-OD1 2.71Å; H302-D330 IonicContact CG-OD2 2.69Å; H302-D330 PolarHBondContact N-OD2 2.79Å; H302-D330 IonicContact ND1-OD1 3.1Å; H302-D330 PolarHBondContact ND1-OD1 2.89Å; H302-D330 IonicContact ND1-OD2 2.69Å; H302-D330 PolarHBondContact ND1-OD2 3.33Å; D330-G332 PolarHBondContact O-N 3.41Å; D330-N363 PolarHBondContact O-ND2 3.36Å |
| 331 | L | 96.7 | Very high | 95.4 | Very high | 112 Ų | 112 | 35.1 Ų | 35.1 | 59% | 0.586 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | 1.7 | 174.3 | -61.8 | 177.4 | 0 | 0 | 0 | 112.5 | N329 L333 N363 | N329-L331 PolarHBondContact O-N 3Å; N329-L331 VanDerWaalsContact O-N 3.13Å; N329-L331 PolarHBondContact OD1-N 2.86Å; N329-L331 VanDerWaalsContact OD1-N 3.1Å; L331-L333 HydrophobicContact CB-CD1 3.85Å; L331-L333 HydrophobicContact CB-CG 3.78Å; L331-L333 HydrophobicContact CD1-CD1 3.94Å; L331-L333 PolarHBondContact O-N 3.13Å; L331-N363 VanDerWaalsContact C-CG 3.41Å; L331-N363 WeakPolarHBondContact O-CB 3.48Å; L331-N363 PolarHBondContact O-N 3.06Å |
| 332 | G | 96.9 | Very high | 95.6 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | S | Bend | trans | 76.5 | 4.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | R328 N329 D330 N363 | R328-G332 WeakPolarHBondContact CD-O 3.45Å; N329-G332 WeakPolarHBondContact O-CA 3.33Å; N329-G332 PolarHBondContact O-N 3.47Å; D330-G332 PolarHBondContact O-N 3.41Å; G332-N363 WeakPolarHBondContact CA-OD1 3.47Å; G332-N363 PolarHBondContact N-OD1 3.18Å |
| 333 | L | 98 | Very high | 95.7 | Very high | 10 Ų | 10 | 37.9 Ų | 37.9 | 5% | 0.052 | 19% | 0.188 | C | C | . | . | trans | -77.3 | 137.1 | -173.3 | -57.6 | 172.4 | 0 | 0 | 0 | 110.7 | H307 R328 N329 L331 H337 D362 Y371 | H307-L333 PolarHBondContact NE2-O 3.15Å; R328-L333 VanDerWaalsContact CA-O 3.32Å; R328-L333 WeakPolarHBondContact CA-O 3.29Å; N329-L333 PolarHBondContact N-O 3.39Å; N329-L333 WeakPolarHBondContact OD1-CB 3.4Å; N329-L333 PolarHBondContact OD1-N 3.04Å; L331-L333 HydrophobicContact CB-CD1 3.85Å; L331-L333 HydrophobicContact CB-CG 3.78Å; L331-L333 HydrophobicContact CD1-CD1 3.94Å; L331-L333 PolarHBondContact O-N 3.13Å; L333-H337 HydrophobicContact CB-CB 4.26Å; L333-H337 HydrophobicContact CD2-CB 3.83Å; L333-D362 HydrophobicContact CD2-CB 3.66Å; L333-Y371 HydrophobicContact CD2-CE1 4.22Å; L333-Y371 HydrophobicContact CD2-CE2 4.33Å; L333-Y371 VanDerWaalsContact CD2-OH 3.3Å; L333-Y371 WeakPolarHBondContact CD2-OH 3.48Å | ||
| 334 | T | 97.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -92.4 | 162.8 | 163.2 | 67.6 | 0 | 0 | 0 | 0 | 110.2 | A327 R328 L336 H337 M338 L360 | A327-T334 WeakPolarHBondContact O-CA 3.36Å; A327-T334 WeakPolarHBondContact O-CG2 3.42Å; R328-T334 HydrophobicContact CG-CG2 3.88Å; T334-L336 PolarHBondContact O-N 3.02Å; T334-L336 VanDerWaalsContact O-N 3.09Å; T334-L336 PolarHBondContact OG1-N 3.14Å; T334-H337 PolarHBondContact N-ND1 3.11Å; T334-H337 WeakPolarHBondContact O-CB 3.43Å; T334-H337 PolarHBondContact O-N 2.68Å; T334-H337 PolarHBondContact OG1-ND1 3.19Å; T334-M338 PolarHBondContact O-N 3.31Å; T334-L360 HydrophobicContact CG2-CB 4.23Å; T334-L360 HydrophobicContact CG2-CD1 3.81Å | ||
| 335 | I | 95.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -50.2 | -34.8 | 170.8 | -172.5 | -173.6 | 0 | 0 | 0 | 112.6 | I306 H307 F315 H337 M338 K339 L351 | I306-I335 HydrophobicContact CD1-CD1 4.43Å; I306-I335 HydrophobicContact CG1-CD1 4.06Å; I306-I335 HydrophobicContact CG2-CB 4.34Å; I306-I335 HydrophobicContact CG2-CG2 4.27Å; I306-I335 WeakPolarHBondContact O-CD1 3.38Å; H307-I335 PolarHBondContact CD2-N 3.31Å; H307-I335 PolarHBondContact NE2-N 2.87Å; F315-I335 HydrophobicContact CD2-CD1 4.09Å; F315-I335 HydrophobicContact CE2-CD1 4.14Å; I335-H337 VanDerWaalsContact C-N 3.34Å; I335-H337 PolarHBondContact O-N 3.19Å; I335-M338 WeakPolarHBondContact O-CB 3.04Å; I335-M338 PolarHBondContact O-N 3.12Å; I335-M338 VanDerWaalsContact O-N 3.14Å; I335-K339 HydrophobicContact CG1-CG 4.04Å; I335-K339 WeakPolarHBondContact O-CG 3.39Å; I335-K339 PolarHBondContact O-N 3.38Å; I335-L351 HydrophobicContact CD1-CD1 4.29Å; I335-L351 HydrophobicContact CD1-CD2 4.32Å; I335-L351 HydrophobicContact CG1-CD1 4.19Å; I335-L351 HydrophobicContact CG2-CD1 4.08Å; I335-L351 HydrophobicContact CG2-CD2 3.56Å |
| 336 | L | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.3 | -36.3 | 177.4 | -177.7 | 60.2 | 0 | 0 | 0 | 112.6 | T334 V340 V348 L351 L352 A356 P358 P368 L385 | T334-L336 PolarHBondContact O-N 3.02Å; T334-L336 VanDerWaalsContact O-N 3.09Å; T334-L336 PolarHBondContact OG1-N 3.14Å; L336-V340 HydrophobicContact CD1-CG2 4.27Å; L336-V340 WeakPolarHBondContact O-CB 3.46Å; L336-V340 VanDerWaalsContact O-CG2 3.24Å; L336-V340 WeakPolarHBondContact O-CG2 2.92Å; L336-V340 PolarHBondContact O-N 3.26Å; L336-V340 VanDerWaalsContact O-N 3.09Å; L336-V348 HydrophobicContact CD1-CB 4.46Å; L336-V348 HydrophobicContact CD1-CG1 3.95Å; L336-V348 HydrophobicContact CD1-CG2 4.42Å; L336-L351 HydrophobicContact CB-CD1 4.27Å; L336-L351 HydrophobicContact CD1-CB 4.11Å; L336-L351 HydrophobicContact CD1-CD1 4.16Å; L336-L352 HydrophobicContact CD1-CD2 4.4Å; L336-L352 HydrophobicContact CD1-CG 4.33Å; L336-L352 HydrophobicContact CD2-CD2 3.88Å; L336-A356 HydrophobicContact CD2-CB 4.25Å; L336-P358 HydrophobicContact CD2-CB 4.23Å; L336-P368 HydrophobicContact CB-CG 4.41Å; L336-P368 HydrophobicContact CD2-CB 4.27Å; L336-P368 HydrophobicContact CD2-CG 3.9Å; L336-P368 HydrophobicContact CG-CB 4.01Å; L336-P368 HydrophobicContact CG-CG 3.86Å; L336-L385 HydrophobicContact CD2-CD2 4.46Å |
| 337 | H | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.9 | -43.2 | 172.5 | -68 | 78.8 | 0 | 0 | 0 | 111.4 | L333 T334 I335 R341 L360 A366 P368 Y371 | L333-H337 HydrophobicContact CB-CB 4.26Å; L333-H337 HydrophobicContact CD2-CB 3.83Å; T334-H337 PolarHBondContact N-ND1 3.11Å; T334-H337 WeakPolarHBondContact O-CB 3.43Å; T334-H337 PolarHBondContact O-N 2.68Å; T334-H337 PolarHBondContact OG1-ND1 3.19Å; I335-H337 VanDerWaalsContact C-N 3.34Å; I335-H337 PolarHBondContact O-N 3.19Å; H337-R341 WeakPolarHBondContact O-CB 3.14Å; H337-R341 PolarHBondContact O-N 3.1Å; H337-L360 PolarHBondContact CE1-O 3.31Å; H337-L360 PolarHBondContact NE2-O 3.22Å; H337-A366 PolarHBondContact NE2-O 3.15Å; H337-P368 WeakPolarHBondContact NE2-CD 3.4Å; H337-Y371 AromaticContact CD2-CD2 3.81Å; H337-Y371 AromaticContact CD2-CE2 3.87Å |
| 338 | M | 95.4 | Very high | 95.3 | Very high | 31 Ų | 31 | 39.8 Ų | 39.8 | 15% | 0.153 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.7 | -49.8 | 179.4 | -62.2 | 172.1 | 66.5 | 0 | 0 | 111.1 | H307 T334 I335 V340 R341 D342 | H307-M338 HydrophobicContact CB-SD 4.07Å; H307-M338 VanDerWaalsContact O-CE 3.3Å; H307-M338 WeakPolarHBondContact O-CE 3.31Å; T334-M338 PolarHBondContact O-N 3.31Å; I335-M338 WeakPolarHBondContact O-CB 3.04Å; I335-M338 PolarHBondContact O-N 3.12Å; I335-M338 VanDerWaalsContact O-N 3.14Å; M338-V340 VanDerWaalsContact C-N 3.31Å; M338-V340 PolarHBondContact O-N 3.03Å; M338-R341 WeakPolarHBondContact O-CB 3.43Å; M338-R341 PolarHBondContact O-N 3.07Å; M338-D342 WeakPolarHBondContact O-CB 3.34Å; M338-D342 PolarHBondContact O-N 2.66Å |
| 339 | K | 95.4 | Very high | 95.2 | Very high | 18 Ų | 18 | 34.7 Ų | 34.7 | 8% | 0.078 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.1 | -28.9 | -179 | -61.2 | -61.3 | -175.3 | 162.9 | 0 | 113.6 | V309 I335 N343 N344 D347 V348 L351 | V309-K339 WeakPolarHBondContact O-CE 3.37Å; V309-K339 PolarHBondContact O-NZ 2.56Å; I335-K339 HydrophobicContact CG1-CG 4.04Å; I335-K339 WeakPolarHBondContact O-CG 3.39Å; I335-K339 PolarHBondContact O-N 3.38Å; K339-N343 PolarHBondContact O-N 2.99Å; K339-N344 PolarHBondContact O-N 2.89Å; K339-D347 HydrophobicContact CB-CB 4.2Å; K339-D347 HydrophobicContact CD-CB 3.85Å; K339-D347 WeakPolarHBondContact CD-OD2 3.45Å; K339-D347 WeakPolarHBondContact CE-OD2 3.34Å; K339-D347 HydrophobicContact CG-CB 3.97Å; K339-D347 IonicContact NZ-OD2 2.69Å; K339-D347 PolarHBondContact NZ-OD2 3.3Å; K339-V348 VanDerWaalsContact C-CG2 3.45Å; K339-V348 HydrophobicContact CB-CG2 3.71Å; K339-L351 HydrophobicContact CB-CD1 4.2Å; K339-L351 HydrophobicContact CG-CD1 3.93Å |
| 340 | V | 97.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -71.8 | -45 | 170.4 | 172.7 | 0 | 0 | 0 | 0 | 111.7 | L336 M338 D342 N343 V348 P368 A372 A377 T381 L385 | L336-V340 HydrophobicContact CD1-CG2 4.27Å; L336-V340 WeakPolarHBondContact O-CB 3.46Å; L336-V340 VanDerWaalsContact O-CG2 3.24Å; L336-V340 WeakPolarHBondContact O-CG2 2.92Å; L336-V340 PolarHBondContact O-N 3.26Å; L336-V340 VanDerWaalsContact O-N 3.09Å; M338-V340 VanDerWaalsContact C-N 3.31Å; M338-V340 PolarHBondContact O-N 3.03Å; V340-D342 VanDerWaalsContact C-N 3.27Å; V340-D342 PolarHBondContact O-N 2.88Å; V340-N343 WeakPolarHBondContact O-CA 3.15Å; V340-N343 PolarHBondContact O-N 3.32Å; V340-V348 HydrophobicContact CB-CG2 4.36Å; V340-V348 HydrophobicContact CG2-CB 4.47Å; V340-V348 HydrophobicContact CG2-CG1 3.97Å; V340-V348 HydrophobicContact CG2-CG2 3.57Å; V340-P368 WeakPolarHBondContact CG1-O 3.39Å; V340-P368 HydrophobicContact CG2-CB 4.23Å; V340-A372 HydrophobicContact CG1-CB 3.71Å; V340-A377 HydrophobicContact CG1-CB 4.37Å; V340-T381 HydrophobicContact CG1-CG2 4.36Å; V340-T381 HydrophobicContact CG2-CG2 4.15Å; V340-L385 HydrophobicContact CG2-CD1 4.16Å |
| 341 | R | 96 | Very high | 94.7 | Very high | 91 Ų | 91 | 31.4 Ų | 31.4 | 34% | 0.343 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -55.7 | -44.4 | 174 | -176.1 | -164.4 | 64.3 | -156.9 | -9.7 | 111.4 | H337 M338 N343 Y371 Y375 | H337-R341 WeakPolarHBondContact O-CB 3.14Å; H337-R341 PolarHBondContact O-N 3.1Å; M338-R341 WeakPolarHBondContact O-CB 3.43Å; M338-R341 PolarHBondContact O-N 3.07Å; R341-N343 PolarHBondContact O-N 2.97Å; R341-Y371 HydrophobicContact CB-CD1 4.08Å; R341-Y375 HydrophobicContact CB-CD2 4.3Å; R341-Y375 HydrophobicContact CG-CD1 3.99Å; R341-Y375 HydrophobicContact CG-CD2 3.97Å; R341-Y375 HydrophobicContact CG-CE1 3.94Å; R341-Y375 HydrophobicContact CG-CE2 3.95Å; R341-Y375 HydrophobicContact CG-CG 4.01Å |
| 342 | D | 93.2 | Very high | 94.5 | Very high | 88 Ų | 88 | 26.1 Ų | 26.1 | 47% | 0.471 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 2.4 | -178.3 | -55 | -16 | 0 | 0 | 0 | 112.1 | M338 V340 N344 | M338-D342 WeakPolarHBondContact O-CB 3.34Å; M338-D342 PolarHBondContact O-N 2.66Å; V340-D342 VanDerWaalsContact C-N 3.27Å; V340-D342 PolarHBondContact O-N 2.88Å; D342-N344 PolarHBondContact O-N 3.25Å; D342-N344 VanDerWaalsContact O-N 3.15Å |
| 343 | N | 92.3 | Very high | 94.1 | Very high | 70 Ų | 70 | 26.5 Ų | 26.5 | 37% | 0.374 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 28.3 | 177.6 | -160.5 | 17.7 | 0 | 0 | 0 | 115.4 | K339 V340 R341 F345 A377 S378 T381 | K339-N343 PolarHBondContact O-N 2.99Å; V340-N343 WeakPolarHBondContact O-CA 3.15Å; V340-N343 PolarHBondContact O-N 3.32Å; R341-N343 PolarHBondContact O-N 2.97Å; N343-F345 PolarHBondContact O-N 3.34Å; N343-F345 VanDerWaalsContact O-N 3.13Å; N343-A377 WeakPolarHBondContact OD1-CA 3.43Å; N343-S378 PolarHBondContact OD1-N 3.02Å; N343-T381 PolarHBondContact OD1-OG1 2.99Å |
| 344 | N | 91.1 | Very high | 93.5 | Very high | 61 Ų | 61 | 29.2 Ų | 29.2 | 33% | 0.326 | 15% | 0.146 | S | C | . | . | trans | -83.3 | 90.3 | 175.8 | -172.9 | -5.6 | 0 | 0 | 0 | 110.7 | K339 D342 E346 D347 V348 | K339-N344 PolarHBondContact O-N 2.89Å; D342-N344 PolarHBondContact O-N 3.25Å; D342-N344 VanDerWaalsContact O-N 3.15Å; N344-E346 VanDerWaalsContact C-N 3.3Å; N344-E346 PolarHBondContact O-N 3.42Å; N344-E346 PolarHBondContact OD1-N 3.42Å; N344-D347 HydrophobicContact CB-CB 4.17Å; N344-D347 PolarHBondContact ND2-OD1 3.11Å; N344-D347 PolarHBondContact ND2-OD2 3.16Å; N344-D347 PolarHBondContact O-N 3.11Å; N344-D347 PolarHBondContact OD1-N 3.11Å; N344-V348 WeakPolarHBondContact O-CG2 3.36Å; N344-V348 PolarHBondContact O-N 3.1Å | ||
| 345 | F | 94.2 | Very high | 93 | Very high | 17 Ų | 17 | 30.8 Ų | 30.8 | 8% | 0.075 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -52.8 | -40.9 | 179.7 | 168.7 | -108.5 | 0 | 0 | 0 | 113.9 | N343 V348 L349 H380 A384 K1101 L1104 | N343-F345 PolarHBondContact O-N 3.34Å; N343-F345 VanDerWaalsContact O-N 3.13Å; F345-V348 PolarHBondContact O-N 3.35Å; F345-L349 HydrophobicContact CE1-CD2 4.32Å; F345-L349 HydrophobicContact CE2-CB 4.47Å; F345-L349 HydrophobicContact CZ-CD2 3.96Å; F345-L349 VanDerWaalsContact O-CB 3.28Å; F345-L349 WeakPolarHBondContact O-CB 3.3Å; F345-L349 PolarHBondContact O-N 3.43Å; F345-H380 HydrophobicContact CD2-CB 3.54Å; F345-H380 HydrophobicContact CE1-CB 4.45Å; F345-H380 HydrophobicContact CE2-CB 3.46Å; F345-H380 VanDerWaalsContact CE2-CB 3.46Å; F345-H380 WeakPolarHBondContact CE2-O 3.35Å; F345-H380 HydrophobicContact CG-CB 4.09Å; F345-H380 HydrophobicContact CZ-CB 3.95Å; F345-A384 HydrophobicContact CE2-CB 4.31Å; F345-K1101 HydrophobicContact CE1-CG 4.29Å; F345-K1101 HydrophobicContact CZ-CG 4.33Å; F345-L1104 HydrophobicContact CE2-CD1 3.7Å; F345-L1104 HydrophobicContact CZ-CD1 3.83Å |
| 346 | E | 91.6 | Very high | 92.9 | Very high | 104 Ų | 104 | 30.8 Ų | 30.8 | 49% | 0.486 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -73.4 | -40 | -175.9 | -60 | -61 | 156.8 | 0 | 0 | 111.7 | N344 L349 A350 | N344-E346 VanDerWaalsContact C-N 3.3Å; N344-E346 PolarHBondContact O-N 3.42Å; N344-E346 PolarHBondContact OD1-N 3.42Å; E346-L349 PolarHBondContact O-N 2.74Å; E346-A350 VanDerWaalsContact O-CB 3.32Å; E346-A350 WeakPolarHBondContact O-CB 3.3Å; E346-A350 PolarHBondContact O-N 2.77Å |
| 347 | D | 90.5 | Very high | 92.7 | Very high | 19 Ų | 19 | 33.5 Ų | 33.5 | 10% | 0.102 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.2 | -41.2 | 173.4 | -76.1 | 6.6 | 0 | 0 | 0 | 111.3 | K339 N344 A350 L351 | K339-D347 HydrophobicContact CB-CB 4.2Å; K339-D347 HydrophobicContact CD-CB 3.85Å; K339-D347 WeakPolarHBondContact CD-OD2 3.45Å; K339-D347 WeakPolarHBondContact CE-OD2 3.34Å; K339-D347 HydrophobicContact CG-CB 3.97Å; K339-D347 IonicContact NZ-OD2 2.69Å; K339-D347 PolarHBondContact NZ-OD2 3.3Å; N344-D347 HydrophobicContact CB-CB 4.17Å; N344-D347 PolarHBondContact ND2-OD1 3.11Å; N344-D347 PolarHBondContact ND2-OD2 3.16Å; N344-D347 PolarHBondContact O-N 3.11Å; N344-D347 PolarHBondContact OD1-N 3.11Å; D347-A350 PolarHBondContact O-N 2.81Å; D347-L351 WeakPolarHBondContact O-CB 3.38Å; D347-L351 WeakPolarHBondContact O-CG 3.45Å; D347-L351 PolarHBondContact O-N 3.47Å |
| 348 | V | 95.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.3 | -45.5 | 175.6 | 169 | 0 | 0 | 0 | 0 | 111 | L336 K339 V340 N344 F345 L351 L352 T381 | L336-V348 HydrophobicContact CD1-CB 4.46Å; L336-V348 HydrophobicContact CD1-CG1 3.95Å; L336-V348 HydrophobicContact CD1-CG2 4.42Å; K339-V348 VanDerWaalsContact C-CG2 3.45Å; K339-V348 HydrophobicContact CB-CG2 3.71Å; V340-V348 HydrophobicContact CB-CG2 4.36Å; V340-V348 HydrophobicContact CG2-CB 4.47Å; V340-V348 HydrophobicContact CG2-CG1 3.97Å; V340-V348 HydrophobicContact CG2-CG2 3.57Å; N344-V348 WeakPolarHBondContact O-CG2 3.36Å; N344-V348 PolarHBondContact O-N 3.1Å; F345-V348 PolarHBondContact O-N 3.35Å; V348-L351 PolarHBondContact O-N 2.71Å; V348-L352 HydrophobicContact CG1-CD1 3.9Å; V348-L352 VanDerWaalsContact O-CG 3.28Å; V348-L352 WeakPolarHBondContact O-CG 3.47Å; V348-L352 PolarHBondContact O-N 3.39Å; V348-L352 VanDerWaalsContact O-N 3.08Å; V348-T381 HydrophobicContact CB-CG2 4.34Å; V348-T381 HydrophobicContact CG1-CG2 3.95Å; V348-T381 HydrophobicContact CG2-CG2 4.21Å |
| 349 | L | 94 | Very high | 92.7 | Very high | 5 Ų | 5 | 34.8 Ų | 34.8 | 3% | 0.026 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.7 | -42.8 | 177.6 | 178.9 | 63.3 | 0 | 0 | 0 | 111.5 | F345 E346 L352 V353 F388 F792 S1100 L1104 | F345-L349 HydrophobicContact CE1-CD2 4.32Å; F345-L349 HydrophobicContact CE2-CB 4.47Å; F345-L349 HydrophobicContact CZ-CD2 3.96Å; F345-L349 VanDerWaalsContact O-CB 3.28Å; F345-L349 WeakPolarHBondContact O-CB 3.3Å; F345-L349 PolarHBondContact O-N 3.43Å; E346-L349 PolarHBondContact O-N 2.74Å; L349-L352 PolarHBondContact O-N 2.9Å; L349-V353 HydrophobicContact CD1-CG2 3.91Å; L349-V353 HydrophobicContact CG-CG2 4.2Å; L349-V353 WeakPolarHBondContact O-CB 3.44Å; L349-V353 VanDerWaalsContact O-CG2 3.23Å; L349-V353 WeakPolarHBondContact O-CG2 3.43Å; L349-V353 PolarHBondContact O-N 3.39Å; L349-F388 HydrophobicContact CD1-CE2 4.25Å; L349-F792 HydrophobicContact CD1-CE1 3.97Å; L349-F792 HydrophobicContact CD1-CZ 4.22Å; L349-F792 HydrophobicContact CD2-CE1 4.2Å; L349-F792 HydrophobicContact CG-CE1 4.49Å; L349-S1100 WeakPolarHBondContact CD2-OG 3.38Å; L349-L1104 HydrophobicContact CD1-CD1 4.32Å |
| 350 | A | 89.2 | Confident | 92.8 | Very high | 30 Ų | 30 | 35.3 Ų | 35.3 | 25% | 0.248 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.5 | -49.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | F315 E346 D347 L352 V353 H354 | F315-A350 HydrophobicContact CD1-CB 4.5Å; F315-A350 HydrophobicContact CE1-CB 3.9Å; E346-A350 VanDerWaalsContact O-CB 3.32Å; E346-A350 WeakPolarHBondContact O-CB 3.3Å; E346-A350 PolarHBondContact O-N 2.77Å; D347-A350 PolarHBondContact O-N 2.81Å; A350-L352 VanDerWaalsContact C-N 3.35Å; A350-L352 PolarHBondContact O-N 3.33Å; A350-V353 PolarHBondContact O-N 2.97Å; A350-H354 VanDerWaalsContact O-CB 3.3Å; A350-H354 WeakPolarHBondContact O-CB 3.49Å; A350-H354 PolarHBondContact O-CD2 3Å; A350-H354 PolarHBondContact O-N 3.32Å |
| 351 | L | 92.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -53.7 | -47.3 | 175.7 | -81.5 | 163.7 | 0 | 0 | 0 | 113 | F315 L325 I335 L336 K339 D347 V348 H354 G355 A356 | F315-L351 HydrophobicContact CE2-CD2 3.51Å; F315-L351 HydrophobicContact CE2-CG 3.97Å; F315-L351 HydrophobicContact CZ-CD2 3.61Å; F315-L351 HydrophobicContact CZ-CG 3.81Å; L325-L351 HydrophobicContact CB-CD2 4.3Å; L325-L351 HydrophobicContact CD1-CD2 4.31Å; L325-L351 HydrophobicContact CD2-CD2 3.96Å; L325-L351 HydrophobicContact CG-CD2 4.41Å; I335-L351 HydrophobicContact CD1-CD1 4.29Å; I335-L351 HydrophobicContact CD1-CD2 4.32Å; I335-L351 HydrophobicContact CG1-CD1 4.19Å; I335-L351 HydrophobicContact CG2-CD1 4.08Å; I335-L351 HydrophobicContact CG2-CD2 3.56Å; L336-L351 HydrophobicContact CB-CD1 4.27Å; L336-L351 HydrophobicContact CD1-CB 4.11Å; L336-L351 HydrophobicContact CD1-CD1 4.16Å; K339-L351 HydrophobicContact CB-CD1 4.2Å; K339-L351 HydrophobicContact CG-CD1 3.93Å; D347-L351 WeakPolarHBondContact O-CB 3.38Å; D347-L351 WeakPolarHBondContact O-CG 3.45Å; D347-L351 PolarHBondContact O-N 3.47Å; V348-L351 PolarHBondContact O-N 2.71Å; L351-H354 CarbonylContact O-C 3.58Å; L351-H354 PolarHBondContact O-N 3.45Å; L351-G355 PolarHBondContact O-N 3.46Å; L351-A356 HydrophobicContact CB-CB 4.14Å; L351-A356 HydrophobicContact CD2-CB 4.26Å; L351-A356 WeakPolarHBondContact O-CB 3.47Å; L351-A356 PolarHBondContact O-N 3.32Å |
| 352 | L | 93.2 | Very high | 92.9 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68.8 | -40 | 179.9 | -66.2 | 168.5 | 0 | 0 | 0 | 112.6 | L336 V348 L349 A350 H354 G355 P358 A384 L385 F388 | L336-L352 HydrophobicContact CD1-CD2 4.4Å; L336-L352 HydrophobicContact CD1-CG 4.33Å; L336-L352 HydrophobicContact CD2-CD2 3.88Å; V348-L352 HydrophobicContact CG1-CD1 3.9Å; V348-L352 VanDerWaalsContact O-CG 3.28Å; V348-L352 WeakPolarHBondContact O-CG 3.47Å; V348-L352 PolarHBondContact O-N 3.39Å; V348-L352 VanDerWaalsContact O-N 3.08Å; L349-L352 PolarHBondContact O-N 2.9Å; A350-L352 VanDerWaalsContact C-N 3.35Å; A350-L352 PolarHBondContact O-N 3.33Å; L352-H354 VanDerWaalsContact C-N 3.28Å; L352-H354 PolarHBondContact O-N 2.91Å; L352-G355 PolarHBondContact O-N 3.18Å; L352-P358 HydrophobicContact CD2-CB 3.88Å; L352-P358 HydrophobicContact CD2-CG 4.21Å; L352-A384 HydrophobicContact CD1-CB 3.79Å; L352-L385 HydrophobicContact CD1-CD2 4.12Å; L352-L385 HydrophobicContact CD1-CG 4.46Å; L352-L385 HydrophobicContact CD2-CD2 4.24Å; L352-F388 HydrophobicContact CB-CB 4.17Å; L352-F388 HydrophobicContact CB-CD1 3.99Å; L352-F388 HydrophobicContact CB-CD2 4.09Å; L352-F388 HydrophobicContact CB-CE1 4.44Å; L352-F388 HydrophobicContact CB-CG 3.82Å; L352-F388 HydrophobicContact CD1-CB 4.48Å; L352-F388 HydrophobicContact CD2-CB 4.1Å; L352-F388 HydrophobicContact CG-CB 4.48Å; L352-F388 WeakPolarHBondContact O-CD1 3.22Å; L352-F388 WeakPolarHBondContact O-CE1 3.31Å |
| 353 | V | 89.9 | Confident | 93.1 | Very high | 9 Ų | 9 | 37 Ų | 37 | 6% | 0.055 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.3 | -32 | 174.8 | 170.2 | 0 | 0 | 0 | 0 | 111.6 | L349 A350 G355 F388 T789 F792 R793 | L349-V353 HydrophobicContact CD1-CG2 3.91Å; L349-V353 HydrophobicContact CG-CG2 4.2Å; L349-V353 WeakPolarHBondContact O-CB 3.44Å; L349-V353 VanDerWaalsContact O-CG2 3.23Å; L349-V353 WeakPolarHBondContact O-CG2 3.43Å; L349-V353 PolarHBondContact O-N 3.39Å; A350-V353 PolarHBondContact O-N 2.97Å; V353-G355 VanDerWaalsContact C-N 3.34Å; V353-F388 HydrophobicContact CG2-CE1 4.25Å; V353-F388 HydrophobicContact CG2-CE2 4.44Å; V353-F388 HydrophobicContact CG2-CZ 3.68Å; V353-T789 VanDerWaalsContact O-CB 3.31Å; V353-T789 WeakPolarHBondContact O-CB 3.24Å; V353-T789 WeakPolarHBondContact O-CG2 3.45Å; V353-F792 HydrophobicContact CG2-CB 4.24Å; V353-F792 HydrophobicContact CG2-CD1 3.67Å; V353-F792 HydrophobicContact CG2-CE1 4.32Å; V353-F792 HydrophobicContact CG2-CG 4.09Å; V353-R793 HydrophobicContact CG1-CG 3.45Å; V353-R793 VanDerWaalsContact CG1-CG 3.45Å |
| 354 | H | 85.1 | Confident | 93.3 | Very high | 68 Ų | 68 | 36.1 Ų | 36.1 | 32% | 0.315 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | -3.2 | 175 | -77.5 | -78.2 | 0 | 0 | 0 | 114.1 | F319 L325 A350 L351 L352 | F319-H354 AromaticContact CD1-CE1 3.75Å; F319-H354 AromaticContact CD1-ND1 3.38Å; F319-H354 WeakPolarHBondContact CD1-ND1 3.13Å; F319-H354 HydrophobicContact CD2-CB 4Å; F319-H354 AromaticContact CD2-ND1 4Å; F319-H354 AromaticContact CE1-CE1 3.61Å; F319-H354 AromaticContact CE1-ND1 3.04Å; F319-H354 WeakPolarHBondContact CE1-ND1 3.12Å; F319-H354 HydrophobicContact CE2-CB 3.73Å; F319-H354 AromaticContact CE2-ND1 3.68Å; F319-H354 AromaticContact CG-ND1 3.86Å; F319-H354 HydrophobicContact CZ-CB 4.09Å; F319-H354 AromaticContact CZ-ND1 3.2Å; F319-H354 WeakPolarHBondContact CZ-ND1 3.41Å; L325-H354 HydrophobicContact CD1-CB 3.92Å; A350-H354 VanDerWaalsContact O-CB 3.3Å; A350-H354 WeakPolarHBondContact O-CB 3.49Å; A350-H354 PolarHBondContact O-CD2 3Å; A350-H354 PolarHBondContact O-N 3.32Å; L351-H354 CarbonylContact O-C 3.58Å; L351-H354 PolarHBondContact O-N 3.45Å; L352-H354 VanDerWaalsContact C-N 3.28Å; L352-H354 PolarHBondContact O-N 2.91Å |
| 355 | G | 86.9 | Confident | 93.6 | Very high | 32 Ų | 32 | 33.4 Ų | 33.4 | 33% | 0.33 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 99.3 | 19.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | L351 L352 V353 | L351-G355 PolarHBondContact O-N 3.46Å; L352-G355 PolarHBondContact O-N 3.18Å; V353-G355 VanDerWaalsContact C-N 3.34Å |
| 356 | A | 92.1 | Very high | 93.8 | Very high | 2 Ų | 2 | 32.9 Ų | 32.9 | 2% | 0.017 | 18% | 0.181 | C | C | . | . | trans | -61.7 | 137.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | L325 D326 L336 L351 P358 | L325-A356 HydrophobicContact CB-CB 3.8Å; L325-A356 HydrophobicContact CD1-CB 3.98Å; D326-A356 WeakPolarHBondContact OD1-CA 3.4Å; L336-A356 HydrophobicContact CD2-CB 4.25Å; L351-A356 HydrophobicContact CB-CB 4.14Å; L351-A356 HydrophobicContact CD2-CB 4.26Å; L351-A356 WeakPolarHBondContact O-CB 3.47Å; L351-A356 PolarHBondContact O-N 3.32Å; A356-P358 VanDerWaalsContact O-CD 3.31Å; A356-P358 WeakPolarHBondContact O-CD 3.38Å | ||
| 357 | D | 93.5 | Very high | 94.1 | Very high | 56 Ų | 56 | 28 Ų | 28 | 30% | 0.299 | 16% | 0.159 | S | C | . | . | trans | -80.3 | 114.5 | -178.2 | 177.3 | 11.7 | 0 | 0 | 0 | 111.9 | D326 N359 L360 | D326-D357 PolarHBondContact OD1-N 3.26Å; D357-N359 PolarHBondContact O-N 3.16Å; D357-N359 VanDerWaalsContact OD1-CB 3.32Å; D357-N359 WeakPolarHBondContact OD1-CB 3.1Å; D357-N359 PolarHBondContact OD1-N 3.47Å; D357-N359 PolarHBondContact OD1-ND2 3.32Å; D357-L360 HydrophobicContact CB-CD1 3.95Å; D357-L360 HydrophobicContact CB-CG 3.85Å | ||
| 358 | P | 96.1 | Very high | 94.5 | Very high | 4 Ų | 4 | 27.1 Ų | 27.1 | 3% | 0.026 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | 4.2 | -179.7 | 34.7 | -37.4 | 0 | 0 | 0 | 114.3 | L336 L352 A356 P368 L385 A390 | L336-P358 HydrophobicContact CD2-CB 4.23Å; L352-P358 HydrophobicContact CD2-CB 3.88Å; L352-P358 HydrophobicContact CD2-CG 4.21Å; A356-P358 VanDerWaalsContact O-CD 3.31Å; A356-P358 WeakPolarHBondContact O-CD 3.38Å; P358-P368 WeakPolarHBondContact O-CD 3.36Å; P358-L385 HydrophobicContact CB-CD2 3.89Å; P358-A390 HydrophobicContact CB-CB 3.81Å; P358-A390 HydrophobicContact CG-CB 4.06Å |
| 359 | N | 96.9 | Very high | 94.6 | Very high | 55 Ų | 55 | 27.1 Ų | 27.1 | 29% | 0.294 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | -4.1 | -179 | -56.8 | -74.6 | 0 | 0 | 0 | 113.8 | D357 E389 D391 | D357-N359 PolarHBondContact O-N 3.16Å; D357-N359 VanDerWaalsContact OD1-CB 3.32Å; D357-N359 WeakPolarHBondContact OD1-CB 3.1Å; D357-N359 PolarHBondContact OD1-N 3.47Å; D357-N359 PolarHBondContact OD1-ND2 3.32Å; N359-E389 PolarHBondContact ND2-O 3.47Å; N359-E389 PolarHBondContact OD1-O 2.87Å; N359-D391 WeakPolarHBondContact OD1-CB 3.35Å; N359-D391 PolarHBondContact OD1-N 2.91Å |
| 360 | L | 97.2 | Very high | 94.8 | Very high | 29 Ų | 29 | 27 Ų | 27 | 15% | 0.152 | 15% | 0.153 | C | C | . | . | trans | -60.3 | 144.8 | 172.8 | -62.5 | 172.1 | 0 | 0 | 0 | 109.9 | D326 T334 H337 D357 T367 P368 | D326-L360 HydrophobicContact CB-CD1 3.54Å; D326-L360 WeakPolarHBondContact OD1-CD1 3.15Å; T334-L360 HydrophobicContact CG2-CB 4.23Å; T334-L360 HydrophobicContact CG2-CD1 3.81Å; H337-L360 PolarHBondContact CE1-O 3.31Å; H337-L360 PolarHBondContact NE2-O 3.22Å; D357-L360 HydrophobicContact CB-CD1 3.95Å; D357-L360 HydrophobicContact CB-CG 3.85Å; L360-T367 WeakPolarHBondContact O-CA 3.33Å; L360-P368 WeakPolarHBondContact O-CD 3.44Å | ||
| 361 | R | 97.6 | Very high | 95.2 | Very high | 91 Ų | 91 | 27 Ų | 27 | 34% | 0.343 | 15% | 0.147 | S | C | . | . | trans | -116.9 | 137.2 | -173.4 | -67.7 | 174.8 | 174.7 | -126.1 | -5 | 111 | R328 G365 A366 T367 L395 | R328-R361 PolarHBondContact NH1-O 3.47Å; R328-R361 PolarHBondContact NH2-O 2.97Å; R361-G365 WeakPolarHBondContact CD-O 3.39Å; R361-G365 WeakPolarHBondContact CG-O 3.34Å; R361-G365 PolarHBondContact NH1-O 3.39Å; R361-A366 VanDerWaalsContact CA-O 3.29Å; R361-A366 WeakPolarHBondContact CA-O 3.28Å; R361-T367 HydrophobicContact CG-CG2 3.77Å; R361-L395 VanDerWaalsContact CZ-O 3.29Å; R361-L395 PolarHBondContact NH1-O 3.02Å; R361-L395 PolarHBondContact NH2-O 2.84Å; R361-L395 VanDerWaalsContact NH2-O 3.13Å | ||
| 362 | D | 97.8 | Very high | 95.4 | Very high | 17 Ų | 17 | 27 Ų | 27 | 9% | 0.091 | 15% | 0.147 | C | C | . | . | trans | -69.3 | -176.4 | 167.9 | 83.4 | -31.1 | 0 | 0 | 0 | 112.1 | L333 S364 G365 A366 | L333-D362 HydrophobicContact CD2-CB 3.66Å; D362-S364 PolarHBondContact O-N 3.23Å; D362-S364 VanDerWaalsContact OD1-C 3.27Å; D362-S364 WeakPolarHBondContact OD1-CA 3.32Å; D362-S364 PolarHBondContact OD1-N 2.94Å; D362-S364 PolarHBondContact OD1-OG 3.1Å; D362-S364 WeakPolarHBondContact OD2-CB 3.43Å; D362-S364 PolarHBondContact OD2-N 3.04Å; D362-S364 PolarHBondContact OD2-OG 2.95Å; D362-G365 PolarHBondContact O-N 3.15Å; D362-G365 PolarHBondContact OD1-N 3.4Å; D362-A366 PolarHBondContact N-O 3.47Å; D362-A366 WeakPolarHBondContact OD1-CA 3.33Å; D362-A366 WeakPolarHBondContact OD1-CB 3.46Å; D362-A366 PolarHBondContact OD1-N 2.91Å | ||
| 363 | N | 97.6 | Very high | 95.5 | Very high | 106 Ų | 106 | 26.9 Ų | 26.9 | 57% | 0.567 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68 | -19.1 | 176.5 | -66.6 | -5.1 | 0 | 0 | 0 | 113.5 | D330 L331 G332 G365 N397 | D330-N363 PolarHBondContact O-ND2 3.36Å; L331-N363 VanDerWaalsContact C-CG 3.41Å; L331-N363 WeakPolarHBondContact O-CB 3.48Å; L331-N363 PolarHBondContact O-N 3.06Å; G332-N363 WeakPolarHBondContact CA-OD1 3.47Å; G332-N363 PolarHBondContact N-OD1 3.18Å; N363-G365 VanDerWaalsContact C-N 3.29Å; N363-N397 PolarHBondContact O-ND2 3.01Å; N363-N397 VanDerWaalsContact O-ND2 3.14Å |
| 364 | S | 97.2 | Very high | 95.7 | Very high | 52 Ų | 52 | 29.5 Ų | 29.5 | 36% | 0.364 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 1.2 | 170.8 | 80 | 0 | 0 | 0 | 0 | 113.8 | D362 A366 N397 | D362-S364 PolarHBondContact O-N 3.23Å; D362-S364 VanDerWaalsContact OD1-C 3.27Å; D362-S364 WeakPolarHBondContact OD1-CA 3.32Å; D362-S364 PolarHBondContact OD1-N 2.94Å; D362-S364 PolarHBondContact OD1-OG 3.1Å; D362-S364 WeakPolarHBondContact OD2-CB 3.43Å; D362-S364 PolarHBondContact OD2-N 3.04Å; D362-S364 PolarHBondContact OD2-OG 2.95Å; S364-A366 PolarHBondContact O-N 3.13Å; S364-A366 WeakPolarHBondContact OG-CB 3.46Å; S364-N397 VanDerWaalsContact C-CG 3.44Å; S364-N397 VanDerWaalsContact C-ND2 3.27Å; S364-N397 WeakPolarHBondContact O-CB 3.46Å; S364-N397 PolarHBondContact O-N 2.91Å; S364-N397 PolarHBondContact O-ND2 2.92Å |
| 365 | G | 97.2 | Very high | 96.1 | Very high | 4 Ų | 4 | 31.9 Ų | 31.9 | 4% | 0.041 | 17% | 0.17 | C | C | . | . | S | Bend | trans | 76.8 | 2.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | R361 D362 N363 N396 N397 | R361-G365 WeakPolarHBondContact CD-O 3.39Å; R361-G365 WeakPolarHBondContact CG-O 3.34Å; R361-G365 PolarHBondContact NH1-O 3.39Å; D362-G365 PolarHBondContact O-N 3.15Å; D362-G365 PolarHBondContact OD1-N 3.4Å; N363-G365 VanDerWaalsContact C-N 3.29Å; G365-N396 WeakPolarHBondContact O-CA 3.34Å; G365-N397 WeakPolarHBondContact CA-OD1 3.36Å |
| 366 | A | 98 | Very high | 96.3 | Very high | 5 Ų | 5 | 34.1 Ų | 34.1 | 4% | 0.041 | 17% | 0.174 | C | C | . | . | trans | -78.7 | 143.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | H337 R361 D362 S364 H370 Y371 N396 | H337-A366 PolarHBondContact NE2-O 3.15Å; R361-A366 VanDerWaalsContact CA-O 3.29Å; R361-A366 WeakPolarHBondContact CA-O 3.28Å; D362-A366 PolarHBondContact N-O 3.47Å; D362-A366 WeakPolarHBondContact OD1-CA 3.33Å; D362-A366 WeakPolarHBondContact OD1-CB 3.46Å; D362-A366 PolarHBondContact OD1-N 2.91Å; S364-A366 PolarHBondContact O-N 3.13Å; S364-A366 WeakPolarHBondContact OG-CB 3.46Å; A366-H370 HydrophobicContact CB-CB 3.84Å; A366-Y371 HydrophobicContact CB-CD2 4.3Å; A366-Y371 HydrophobicContact CB-CE2 4.05Å; A366-N396 HydrophobicContact CB-CB 4.15Å | ||
| 367 | T | 98.4 | Very high | 96.4 | Very high | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.012 | 18% | 0.175 | C | C | . | . | trans | -100.4 | 170.7 | 176 | 66.8 | 0 | 0 | 0 | 0 | 111.1 | L360 R361 L369 H370 Y371 A394 | L360-T367 WeakPolarHBondContact O-CA 3.33Å; R361-T367 HydrophobicContact CG-CG2 3.77Å; T367-L369 PolarHBondContact O-N 3.36Å; T367-L369 VanDerWaalsContact O-N 3.1Å; T367-L369 PolarHBondContact OG1-N 3.03Å; T367-H370 PolarHBondContact N-ND1 3.47Å; T367-H370 WeakPolarHBondContact O-CA 3.44Å; T367-H370 WeakPolarHBondContact O-CB 3.41Å; T367-H370 PolarHBondContact O-N 3.47Å; T367-H370 PolarHBondContact OG1-ND1 2.89Å; T367-Y371 PolarHBondContact O-N 3.23Å; T367-Y371 VanDerWaalsContact O-N 3.12Å; T367-A394 HydrophobicContact CG2-CB 4.39Å | ||
| 368 | P | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -53.1 | -31.1 | 170.7 | -28.3 | 36.8 | 0 | 0 | 0 | 113.5 | L336 H337 V340 P358 L360 Y371 A372 L385 | L336-P368 HydrophobicContact CB-CG 4.41Å; L336-P368 HydrophobicContact CD2-CB 4.27Å; L336-P368 HydrophobicContact CD2-CG 3.9Å; L336-P368 HydrophobicContact CG-CB 4.01Å; L336-P368 HydrophobicContact CG-CG 3.86Å; H337-P368 WeakPolarHBondContact NE2-CD 3.4Å; V340-P368 WeakPolarHBondContact CG1-O 3.39Å; V340-P368 HydrophobicContact CG2-CB 4.23Å; P358-P368 WeakPolarHBondContact O-CD 3.36Å; L360-P368 WeakPolarHBondContact O-CD 3.44Å; P368-Y371 WeakPolarHBondContact O-CB 3.42Å; P368-Y371 PolarHBondContact O-N 3.43Å; P368-A372 PolarHBondContact O-N 3.39Å; P368-L385 HydrophobicContact CB-CD1 4.47Å; P368-L385 HydrophobicContact CB-CD2 3.9Å |
| 369 | L | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -71.5 | -27.7 | 174.9 | -171.9 | 62.9 | 0 | 0 | 0 | 113.4 | T367 M373 L385 L386 A390 P392 C402 | T367-L369 PolarHBondContact O-N 3.36Å; T367-L369 VanDerWaalsContact O-N 3.1Å; T367-L369 PolarHBondContact OG1-N 3.03Å; L369-M373 HydrophobicContact CD1-CE 3.73Å; L369-M373 HydrophobicContact CG-CE 4.38Å; L369-M373 WeakPolarHBondContact O-CG 3.3Å; L369-L385 HydrophobicContact CB-CD1 4.39Å; L369-L385 HydrophobicContact CD1-CB 4.09Å; L369-L385 HydrophobicContact CD1-CD1 4.12Å; L369-L386 HydrophobicContact CD1-CD2 4.48Å; L369-L386 HydrophobicContact CD1-CG 4.42Å; L369-L386 HydrophobicContact CD2-CD2 3.9Å; L369-A390 HydrophobicContact CB-CB 4.27Å; L369-A390 HydrophobicContact CD2-CB 4.11Å; L369-P392 HydrophobicContact CD2-CB 4.03Å; L369-C402 HydrophobicContact CD2-CB 4.33Å; L369-C402 HydrophobicContact CG-CB 4.01Å |
| 370 | H | 97.8 | Very high | 96.2 | Very high | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.009 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -69.1 | -45 | 168.9 | -66.9 | 68.4 | 0 | 0 | 0 | 110.3 | A366 T367 A372 M373 T374 A394 N396 H400 L405 | A366-H370 HydrophobicContact CB-CB 3.84Å; T367-H370 PolarHBondContact N-ND1 3.47Å; T367-H370 WeakPolarHBondContact O-CA 3.44Å; T367-H370 WeakPolarHBondContact O-CB 3.41Å; T367-H370 PolarHBondContact O-N 3.47Å; T367-H370 PolarHBondContact OG1-ND1 2.89Å; H370-A372 VanDerWaalsContact C-N 3.3Å; H370-A372 PolarHBondContact O-N 3.16Å; H370-M373 PolarHBondContact O-N 3.1Å; H370-M373 VanDerWaalsContact O-N 3.11Å; H370-T374 PolarHBondContact O-N 3.27Å; H370-T374 PolarHBondContact O-OG1 3.48Å; H370-A394 PolarHBondContact CE1-O 2.79Å; H370-A394 PolarHBondContact NE2-O 3.25Å; H370-N396 PolarHBondContact NE2-N 3.45Å; H370-H400 PolarHBondContact NE2-O 2.93Å; H370-L405 HydrophobicContact CB-CD1 3.7Å |
| 371 | Y | 97.6 | Very high | 96.3 | Very high | 31 Ų | 31 | 31.3 Ų | 31.3 | 12% | 0.122 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -57.5 | -42.3 | 176.2 | -87.9 | -113 | 0 | 0 | 0 | 112 | L333 H337 R341 A366 T367 P368 M373 T374 Y375 | L333-Y371 HydrophobicContact CD2-CE1 4.22Å; L333-Y371 HydrophobicContact CD2-CE2 4.33Å; L333-Y371 VanDerWaalsContact CD2-OH 3.3Å; L333-Y371 WeakPolarHBondContact CD2-OH 3.48Å; H337-Y371 AromaticContact CD2-CD2 3.81Å; H337-Y371 AromaticContact CD2-CE2 3.87Å; R341-Y371 HydrophobicContact CB-CD1 4.08Å; A366-Y371 HydrophobicContact CB-CD2 4.3Å; A366-Y371 HydrophobicContact CB-CE2 4.05Å; T367-Y371 PolarHBondContact O-N 3.23Å; T367-Y371 VanDerWaalsContact O-N 3.12Å; P368-Y371 WeakPolarHBondContact O-CB 3.42Å; P368-Y371 PolarHBondContact O-N 3.43Å; Y371-M373 PolarHBondContact O-N 3.35Å; Y371-T374 PolarHBondContact O-N 3.07Å; Y371-Y375 AromaticContact CD1-CD2 3.86Å; Y371-Y375 HydrophobicContact CD1-CD2 3.86Å; Y371-Y375 AromaticContact CD1-CE2 3.49Å; Y371-Y375 HydrophobicContact CD1-CE2 3.49Å; Y371-Y375 VanDerWaalsContact CD1-CE2 3.49Å; Y371-Y375 AromaticContact CE1-CE2 3.73Å; Y371-Y375 HydrophobicContact CE1-CE2 3.73Å; Y371-Y375 HydrophobicContact CG-CD2 4.35Å; Y371-Y375 HydrophobicContact CG-CE2 4.19Å; Y371-Y375 WeakPolarHBondContact O-CD2 3.38Å; Y371-Y375 PolarHBondContact O-N 3.36Å |
| 372 | A | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -56.9 | -33.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | V340 P368 H370 A377 I382 L385 | V340-A372 HydrophobicContact CG1-CB 3.71Å; P368-A372 PolarHBondContact O-N 3.39Å; H370-A372 VanDerWaalsContact C-N 3.3Å; H370-A372 PolarHBondContact O-N 3.16Å; A372-A377 HydrophobicContact CB-CB 4.1Å; A372-A377 WeakPolarHBondContact O-CB 3.36Å; A372-A377 PolarHBondContact O-N 2.72Å; A372-I382 HydrophobicContact CB-CG1 3.98Å; A372-L385 HydrophobicContact CB-CD1 3.87Å |
| 373 | M | 95 | Very high | 96.2 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -82.8 | -49.3 | 179.4 | -54 | -59.7 | 166 | 0 | 0 | 111.5 | L369 H370 Y371 Y375 N376 I382 C402 L405 L406 L426 | L369-M373 HydrophobicContact CD1-CE 3.73Å; L369-M373 HydrophobicContact CG-CE 4.38Å; L369-M373 WeakPolarHBondContact O-CG 3.3Å; H370-M373 PolarHBondContact O-N 3.1Å; H370-M373 VanDerWaalsContact O-N 3.11Å; Y371-M373 PolarHBondContact O-N 3.35Å; M373-Y375 VanDerWaalsContact C-N 3.3Å; M373-Y375 PolarHBondContact O-N 2.04Å; M373-N376 PolarHBondContact O-N 3.33Å; M373-N376 VanDerWaalsContact O-N 3.14Å; M373-I382 HydrophobicContact CE-CB 4.43Å; M373-I382 HydrophobicContact CE-CD1 3.92Å; M373-I382 HydrophobicContact CE-CG1 3.9Å; M373-I382 HydrophobicContact CE-CG2 3.7Å; M373-I382 HydrophobicContact SD-CD1 3.82Å; M373-I382 HydrophobicContact SD-CG1 4.34Å; M373-C402 HydrophobicContact CE-CB 4.38Å; M373-C402 HydrophobicContact CG-CB 3.95Å; M373-C402 WeakPolarHBondContact CG-O 3.37Å; M373-L405 HydrophobicContact CB-CB 3.92Å; M373-L406 HydrophobicContact CB-CB 4.2Å; M373-L406 HydrophobicContact CG-CB 4.25Å; M373-L406 HydrophobicContact SD-CB 3.91Å; M373-L406 HydrophobicContact SD-CD1 3.98Å; M373-L406 HydrophobicContact SD-CD2 4.14Å; M373-L406 HydrophobicContact SD-CG 4.22Å; M373-L426 HydrophobicContact CE-CD1 4.05Å; M373-L426 HydrophobicContact CE-CD2 4.32Å; M373-L426 HydrophobicContact SD-CD1 4.49Å |
| 374 | T | 94 | Very high | 96.2 | Very high | 64 Ų | 64 | 22.3 Ų | 22.3 | 39% | 0.393 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -56 | -42.7 | 179.9 | -58.4 | 0 | 0 | 0 | 0 | 112.5 | H370 Y371 | H370-T374 PolarHBondContact O-N 3.27Å; H370-T374 PolarHBondContact O-OG1 3.48Å; Y371-T374 PolarHBondContact O-N 3.07Å |
| 375 | Y | 93.9 | Very high | 96.2 | Very high | 117 Ų | 117 | 19.8 Ų | 19.8 | 46% | 0.459 | 10% | 0.1 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 7.9 | -177.4 | -63.9 | -78.7 | 0 | 0 | 0 | 113.7 | R341 Y371 M373 A377 | R341-Y375 HydrophobicContact CB-CD2 4.3Å; R341-Y375 HydrophobicContact CG-CD1 3.99Å; R341-Y375 HydrophobicContact CG-CD2 3.97Å; R341-Y375 HydrophobicContact CG-CE1 3.94Å; R341-Y375 HydrophobicContact CG-CE2 3.95Å; R341-Y375 HydrophobicContact CG-CG 4.01Å; Y371-Y375 AromaticContact CD1-CD2 3.86Å; Y371-Y375 HydrophobicContact CD1-CD2 3.86Å; Y371-Y375 AromaticContact CD1-CE2 3.49Å; Y371-Y375 HydrophobicContact CD1-CE2 3.49Å; Y371-Y375 VanDerWaalsContact CD1-CE2 3.49Å; Y371-Y375 AromaticContact CE1-CE2 3.73Å; Y371-Y375 HydrophobicContact CE1-CE2 3.73Å; Y371-Y375 HydrophobicContact CG-CD2 4.35Å; Y371-Y375 HydrophobicContact CG-CE2 4.19Å; Y371-Y375 WeakPolarHBondContact O-CD2 3.38Å; Y371-Y375 PolarHBondContact O-N 3.36Å; M373-Y375 VanDerWaalsContact C-N 3.3Å; M373-Y375 PolarHBondContact O-N 2.04Å; Y375-A377 VanDerWaalsContact C-N 3.33Å; Y375-A377 PolarHBondContact O-N 3.4Å |
| 376 | N | 91.2 | Very high | 96.1 | Very high | 79 Ų | 79 | 20 Ų | 20 | 42% | 0.422 | 10% | 0.099 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 48.8 | -176.4 | -55.9 | -93.2 | 0 | 0 | 0 | 112.8 | M373 R419 | M373-N376 PolarHBondContact O-N 3.33Å; M373-N376 VanDerWaalsContact O-N 3.14Å; N376-R419 PolarHBondContact OD1-NH1 3.33Å |
| 377 | A | 92.9 | Very high | 96 | Very high | 6 Ų | 6 | 19.7 Ų | 19.7 | 5% | 0.05 | 10% | 0.097 | C | C | . | . | trans | -64 | 157.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | V340 N343 A372 Y375 T381 | V340-A377 HydrophobicContact CG1-CB 4.37Å; N343-A377 WeakPolarHBondContact OD1-CA 3.43Å; A372-A377 HydrophobicContact CB-CB 4.1Å; A372-A377 WeakPolarHBondContact O-CB 3.36Å; A372-A377 PolarHBondContact O-N 2.72Å; Y375-A377 VanDerWaalsContact C-N 3.33Å; Y375-A377 PolarHBondContact O-N 3.4Å; A377-T381 HydrophobicContact CB-CG2 4.12Å | ||
| 378 | S | 94.6 | Very high | 95.7 | Very high | 27 Ų | 27 | 19.7 Ų | 19.7 | 19% | 0.189 | 10% | 0.097 | C | C | . | . | trans | -59.4 | 151.9 | -173.4 | 83.2 | 0 | 0 | 0 | 0 | 112.9 | N343 H380 T381 I382 | N343-S378 PolarHBondContact OD1-N 3.02Å; S378-H380 PolarHBondContact O-N 3.23Å; S378-H380 VanDerWaalsContact O-N 3.09Å; S378-H380 PolarHBondContact OG-N 3.11Å; S378-T381 WeakPolarHBondContact O-CA 3.4Å; S378-T381 VanDerWaalsContact O-CB 3.3Å; S378-T381 WeakPolarHBondContact O-CB 3.23Å; S378-T381 PolarHBondContact O-N 2.59Å; S378-T381 PolarHBondContact OG-N 3.21Å; S378-T381 VanDerWaalsContact OG-N 3.08Å; S378-T381 PolarHBondContact OG-OG1 3.37Å; S378-I382 PolarHBondContact O-N 3.01Å | ||
| 379 | I | 94.1 | Very high | 95.5 | Very high | 6 Ų | 6 | 22 Ų | 22 | 3% | 0.031 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -54.9 | -28.9 | 172 | -176.7 | 57.7 | 0 | 0 | 0 | 112.5 | R383 D418 L421 A422 | I379-R383 HydrophobicContact CD1-CG 4.25Å; I379-R383 HydrophobicContact CG1-CG 4.46Å; I379-R383 WeakPolarHBondContact O-CB 3.45Å; I379-R383 VanDerWaalsContact O-CG 3.25Å; I379-R383 WeakPolarHBondContact O-CG 3.43Å; I379-R383 PolarHBondContact O-N 3.44Å; I379-D418 WeakPolarHBondContact CG2-OD1 3.39Å; I379-L421 HydrophobicContact CD1-CG 4.3Å; I379-L421 HydrophobicContact CG1-CD2 4.02Å; I379-L421 HydrophobicContact CG1-CG 4.04Å; I379-A422 HydrophobicContact CD1-CB 4.03Å |
| 380 | H | 95.4 | Very high | 95.4 | Very high | 48 Ų | 48 | 22.2 Ų | 22.2 | 22% | 0.222 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -70 | -40.2 | 174.4 | -50.1 | -57.2 | 0 | 0 | 0 | 111.9 | F345 S378 R383 A384 K1101 | F345-H380 HydrophobicContact CD2-CB 3.54Å; F345-H380 HydrophobicContact CE1-CB 4.45Å; F345-H380 HydrophobicContact CE2-CB 3.46Å; F345-H380 VanDerWaalsContact CE2-CB 3.46Å; F345-H380 WeakPolarHBondContact CE2-O 3.35Å; F345-H380 HydrophobicContact CG-CB 4.09Å; F345-H380 HydrophobicContact CZ-CB 3.95Å; S378-H380 PolarHBondContact O-N 3.23Å; S378-H380 VanDerWaalsContact O-N 3.09Å; S378-H380 PolarHBondContact OG-N 3.11Å; H380-R383 PolarHBondContact O-N 3.44Å; H380-A384 WeakPolarHBondContact O-CB 3.39Å; H380-A384 PolarHBondContact O-N 3.44Å; H380-K1101 PolarHBondContact CD2-NZ 3.09Å; H380-K1101 WeakPolarHBondContact NE2-CE 3.41Å; H380-K1101 PolarHBondContact NE2-NZ 2.75Å |
| 381 | T | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.1 | -44.2 | 174.3 | -43.5 | 0 | 0 | 0 | 0 | 110.9 | V340 N343 V348 A377 S378 A384 L385 | V340-T381 HydrophobicContact CG1-CG2 4.36Å; V340-T381 HydrophobicContact CG2-CG2 4.15Å; N343-T381 PolarHBondContact OD1-OG1 2.99Å; V348-T381 HydrophobicContact CB-CG2 4.34Å; V348-T381 HydrophobicContact CG1-CG2 3.95Å; V348-T381 HydrophobicContact CG2-CG2 4.21Å; A377-T381 HydrophobicContact CB-CG2 4.12Å; S378-T381 WeakPolarHBondContact O-CA 3.4Å; S378-T381 VanDerWaalsContact O-CB 3.3Å; S378-T381 WeakPolarHBondContact O-CB 3.23Å; S378-T381 PolarHBondContact O-N 2.59Å; S378-T381 PolarHBondContact OG-N 3.21Å; S378-T381 VanDerWaalsContact OG-N 3.08Å; S378-T381 PolarHBondContact OG-OG1 3.37Å; T381-A384 WeakPolarHBondContact O-CB 3.39Å; T381-A384 PolarHBondContact O-N 3.13Å; T381-L385 WeakPolarHBondContact O-CG 3.28Å; T381-L385 PolarHBondContact O-N 3.14Å; T381-L385 VanDerWaalsContact O-N 3.15Å |
| 382 | I | 97.1 | Very high | 95.2 | Very high | 4 Ų | 4 | 24.6 Ų | 24.6 | 2% | 0.021 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.8 | -47.7 | 176 | -67.4 | 168.1 | 0 | 0 | 0 | 110.8 | A372 M373 S378 A384 L385 L386 A422 | A372-I382 HydrophobicContact CB-CG1 3.98Å; M373-I382 HydrophobicContact CE-CB 4.43Å; M373-I382 HydrophobicContact CE-CD1 3.92Å; M373-I382 HydrophobicContact CE-CG1 3.9Å; M373-I382 HydrophobicContact CE-CG2 3.7Å; M373-I382 HydrophobicContact SD-CD1 3.82Å; M373-I382 HydrophobicContact SD-CG1 4.34Å; S378-I382 PolarHBondContact O-N 3.01Å; I382-A384 VanDerWaalsContact C-N 3.32Å; I382-A384 PolarHBondContact O-N 3.27Å; I382-L385 PolarHBondContact O-N 3.46Å; I382-L386 HydrophobicContact CG2-CD1 3.77Å; I382-L386 WeakPolarHBondContact O-CG 3.48Å; I382-L386 PolarHBondContact O-N 2.93Å; I382-L386 VanDerWaalsContact O-N 3.11Å; I382-A422 HydrophobicContact CD1-CB 3.77Å |
| 383 | R | 96.2 | Very high | 95.1 | Very high | 21 Ų | 21 | 30 Ų | 30 | 8% | 0.079 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.8 | -32.6 | 176.5 | -72.9 | 176.1 | 178.7 | 163.6 | 1.7 | 112.8 | I379 H380 A387 T425 L1104 V1108 | I379-R383 HydrophobicContact CD1-CG 4.25Å; I379-R383 HydrophobicContact CG1-CG 4.46Å; I379-R383 WeakPolarHBondContact O-CB 3.45Å; I379-R383 VanDerWaalsContact O-CG 3.25Å; I379-R383 WeakPolarHBondContact O-CG 3.43Å; I379-R383 PolarHBondContact O-N 3.44Å; H380-R383 PolarHBondContact O-N 3.44Å; R383-A387 WeakPolarHBondContact O-CB 3.37Å; R383-A387 PolarHBondContact O-N 2.93Å; R383-T425 HydrophobicContact CG-CG2 4.47Å; R383-L1104 HydrophobicContact CB-CB 4.26Å; R383-V1108 HydrophobicContact CB-CG2 4.18Å; R383-V1108 HydrophobicContact CG-CG2 4.18Å |
| 384 | A | 97.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.2 | -52.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | F345 L352 H380 T381 I382 L386 A387 F388 L1104 | F345-A384 HydrophobicContact CE2-CB 4.31Å; L352-A384 HydrophobicContact CD1-CB 3.79Å; H380-A384 WeakPolarHBondContact O-CB 3.39Å; H380-A384 PolarHBondContact O-N 3.44Å; T381-A384 WeakPolarHBondContact O-CB 3.39Å; T381-A384 PolarHBondContact O-N 3.13Å; I382-A384 VanDerWaalsContact C-N 3.32Å; I382-A384 PolarHBondContact O-N 3.27Å; A384-L386 PolarHBondContact O-N 3.46Å; A384-A387 PolarHBondContact O-N 3.14Å; A384-F388 WeakPolarHBondContact O-CD2 3.3Å; A384-F388 PolarHBondContact O-N 2.86Å; A384-F388 VanDerWaalsContact O-N 3.16Å; A384-L1104 HydrophobicContact CB-CD1 3.8Å; A384-L1104 HydrophobicContact CB-CD2 4.36Å |
| 385 | L | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -57.4 | -49.3 | 178.3 | -68.7 | 166.2 | 0 | 0 | 0 | 111.5 | L336 V340 L352 P358 P368 L369 A372 T381 I382 A387 F388 E389 A390 | L336-L385 HydrophobicContact CD2-CD2 4.46Å; V340-L385 HydrophobicContact CG2-CD1 4.16Å; L352-L385 HydrophobicContact CD1-CD2 4.12Å; L352-L385 HydrophobicContact CD1-CG 4.46Å; L352-L385 HydrophobicContact CD2-CD2 4.24Å; P358-L385 HydrophobicContact CB-CD2 3.89Å; P368-L385 HydrophobicContact CB-CD1 4.47Å; P368-L385 HydrophobicContact CB-CD2 3.9Å; L369-L385 HydrophobicContact CB-CD1 4.39Å; L369-L385 HydrophobicContact CD1-CB 4.09Å; L369-L385 HydrophobicContact CD1-CD1 4.12Å; A372-L385 HydrophobicContact CB-CD1 3.87Å; T381-L385 WeakPolarHBondContact O-CG 3.28Å; T381-L385 PolarHBondContact O-N 3.14Å; T381-L385 VanDerWaalsContact O-N 3.15Å; I382-L385 PolarHBondContact O-N 3.46Å; L385-A387 PolarHBondContact O-N 3.17Å; L385-F388 PolarHBondContact O-N 2.74Å; L385-E389 PolarHBondContact O-N 2.81Å; L385-A390 VanDerWaalsContact C-CB 3.49Å; L385-A390 HydrophobicContact CB-CB 3.83Å; L385-A390 WeakPolarHBondContact O-CB 3.4Å; L385-A390 PolarHBondContact O-N 2.64Å |
| 386 | L | 95.9 | Very high | 95.3 | Very high | 7 Ų | 7 | 25.7 Ų | 25.7 | 4% | 0.037 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64 | -40.4 | 179.8 | -65.4 | 164.9 | 0 | 0 | 0 | 112.9 | L369 I382 A384 F388 E389 P392 T425 L426 L429 V1108 Q1111 | L369-L386 HydrophobicContact CD1-CD2 4.48Å; L369-L386 HydrophobicContact CD1-CG 4.42Å; L369-L386 HydrophobicContact CD2-CD2 3.9Å; I382-L386 HydrophobicContact CG2-CD1 3.77Å; I382-L386 WeakPolarHBondContact O-CG 3.48Å; I382-L386 PolarHBondContact O-N 2.93Å; I382-L386 VanDerWaalsContact O-N 3.11Å; A384-L386 PolarHBondContact O-N 3.46Å; L386-F388 PolarHBondContact O-N 3.03Å; L386-E389 PolarHBondContact O-N 2.78Å; L386-P392 HydrophobicContact CD2-CB 4.09Å; L386-P392 HydrophobicContact CD2-CG 4.46Å; L386-T425 HydrophobicContact CD1-CG2 4Å; L386-L426 HydrophobicContact CD1-CD2 4.27Å; L386-L426 HydrophobicContact CD2-CD2 4.49Å; L386-L429 HydrophobicContact CB-CD1 4.36Å; L386-L429 HydrophobicContact CD1-CD1 3.8Å; L386-L429 HydrophobicContact CD2-CD1 4.1Å; L386-L429 HydrophobicContact CG-CD1 4.31Å; L386-V1108 HydrophobicContact CB-CG2 4.43Å; L386-Q1111 PolarHBondContact O-NE2 2.85Å |
| 387 | A | 94.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.8 | -27.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | R383 A384 L385 Q745 R788 L1104 I1107 | R383-A387 WeakPolarHBondContact O-CB 3.37Å; R383-A387 PolarHBondContact O-N 2.93Å; A384-A387 PolarHBondContact O-N 3.14Å; L385-A387 PolarHBondContact O-N 3.17Å; A387-Q745 PolarHBondContact O-NE2 3.48Å; A387-R788 WeakPolarHBondContact O-CD 3.1Å; A387-R788 PolarHBondContact O-NE 3.27Å; A387-R788 PolarHBondContact O-NH1 3.47Å; A387-L1104 HydrophobicContact CB-CD2 3.5Å; A387-I1107 HydrophobicContact CB-CB 4.01Å; A387-I1107 HydrophobicContact CB-CD1 4.18Å; A387-I1107 HydrophobicContact CB-CG2 3.46Å; A387-I1107 VanDerWaalsContact CB-CG2 3.46Å |
| 388 | F | 94 | Very high | 95.6 | Very high | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.009 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 20.3 | -179.7 | -77.8 | -97 | 0 | 0 | 0 | 113.9 | L349 L352 V353 A384 L385 L386 R788 T789 F792 L1104 | L349-F388 HydrophobicContact CD1-CE2 4.25Å; L352-F388 HydrophobicContact CB-CB 4.17Å; L352-F388 HydrophobicContact CB-CD1 3.99Å; L352-F388 HydrophobicContact CB-CD2 4.09Å; L352-F388 HydrophobicContact CB-CE1 4.44Å; L352-F388 HydrophobicContact CB-CG 3.82Å; L352-F388 HydrophobicContact CD1-CB 4.48Å; L352-F388 HydrophobicContact CD2-CB 4.1Å; L352-F388 HydrophobicContact CG-CB 4.48Å; L352-F388 WeakPolarHBondContact O-CD1 3.22Å; L352-F388 WeakPolarHBondContact O-CE1 3.31Å; V353-F388 HydrophobicContact CG2-CE1 4.25Å; V353-F388 HydrophobicContact CG2-CE2 4.44Å; V353-F388 HydrophobicContact CG2-CZ 3.68Å; A384-F388 WeakPolarHBondContact O-CD2 3.3Å; A384-F388 PolarHBondContact O-N 2.86Å; A384-F388 VanDerWaalsContact O-N 3.16Å; L385-F388 PolarHBondContact O-N 2.74Å; L386-F388 PolarHBondContact O-N 3.03Å; F388-R788 HydrophobicContact CE1-CG 4.15Å; F388-R788 HydrophobicContact CZ-CG 4.35Å; F388-T789 HydrophobicContact CD1-CG2 4.47Å; F388-T789 HydrophobicContact CE1-CG2 3.98Å; F388-F792 HydrophobicContact CE2-CD2 4.4Å; F388-F792 HydrophobicContact CE2-CE2 4.45Å; F388-F792 HydrophobicContact CZ-CB 4.47Å; F388-F792 HydrophobicContact CZ-CD2 4.11Å; F388-F792 HydrophobicContact CZ-CG 4.2Å; F388-L1104 HydrophobicContact CD2-CD2 4.48Å; F388-L1104 HydrophobicContact CE2-CD2 4.17Å |
| 389 | E | 93 | Very high | 95.5 | Very high | 47 Ų | 47 | 35 Ų | 35 | 22% | 0.22 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.3 | 41.2 | 176.6 | -66.9 | 163 | -111.1 | 0 | 0 | 114.7 | N359 L385 L386 R748 R788 | N359-E389 PolarHBondContact ND2-O 3.47Å; N359-E389 PolarHBondContact OD1-O 2.87Å; L385-E389 PolarHBondContact O-N 2.81Å; L386-E389 PolarHBondContact O-N 2.78Å; E389-R748 IonicContact OE1-NE 2.7Å; E389-R748 PolarHBondContact OE1-NE 3.49Å; E389-R748 IonicContact OE2-CZ 2.79Å; E389-R748 VanDerWaalsContact OE2-CZ 3.23Å; E389-R748 IonicContact OE2-NE 3.78Å; E389-R748 PolarHBondContact OE2-NE 3.37Å; E389-R748 IonicContact OE2-NH2 3.7Å; E389-R748 PolarHBondContact OE2-NH2 3.38Å; E389-R788 IonicContact OE1-CZ 3.86Å; E389-R788 IonicContact OE1-NH1 3.44Å; E389-R788 PolarHBondContact OE1-NH1 2.92Å; E389-R788 IonicContact OE1-NH2 2.58Å; E389-R788 PolarHBondContact OE1-NH2 3.15Å |
| 390 | A | 96.3 | Very high | 95.5 | Very high | 6 Ų | 6 | 37.3 Ų | 37.3 | 5% | 0.05 | 19% | 0.19 | C | C | . | . | trans | -69.8 | 125.8 | 157.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | P358 L369 L385 P392 | P358-A390 HydrophobicContact CB-CB 3.81Å; P358-A390 HydrophobicContact CG-CB 4.06Å; L369-A390 HydrophobicContact CB-CB 4.27Å; L369-A390 HydrophobicContact CD2-CB 4.11Å; L385-A390 VanDerWaalsContact C-CB 3.49Å; L385-A390 HydrophobicContact CB-CB 3.83Å; L385-A390 WeakPolarHBondContact O-CB 3.4Å; L385-A390 PolarHBondContact O-N 2.64Å; A390-P392 VanDerWaalsContact O-CD 3.3Å; A390-P392 WeakPolarHBondContact O-CD 3.2Å | ||
| 391 | D | 95 | Very high | 95.5 | Very high | 65 Ų | 65 | 35.5 Ų | 35.5 | 35% | 0.348 | 18% | 0.182 | S | C | . | . | trans | -69.7 | 115.2 | 176.7 | 176.1 | 17.1 | 0 | 0 | 0 | 111.4 | N359 Y393 A394 | N359-D391 WeakPolarHBondContact OD1-CB 3.35Å; N359-D391 PolarHBondContact OD1-N 2.91Å; D391-Y393 WeakPolarHBondContact OD1-CA 3.17Å; D391-Y393 WeakPolarHBondContact OD1-CB 3.38Å; D391-Y393 PolarHBondContact OD1-N 3.01Å; D391-A394 HydrophobicContact CB-CB 4.2Å; D391-A394 PolarHBondContact OD1-N 2.87Å; D391-A394 WeakPolarHBondContact OD2-CB 3.41Å; D391-A394 PolarHBondContact OD2-N 3.49Å | ||
| 392 | P | 95.5 | Very high | 95.4 | Very high | 17 Ų | 17 | 35.5 Ų | 35.5 | 11% | 0.11 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -84.7 | -9.5 | 177.1 | 37.2 | -36 | 0 | 0 | 0 | 113.7 | L369 L386 A390 C402 V431 | L369-P392 HydrophobicContact CD2-CB 4.03Å; L386-P392 HydrophobicContact CD2-CB 4.09Å; L386-P392 HydrophobicContact CD2-CG 4.46Å; A390-P392 VanDerWaalsContact O-CD 3.3Å; A390-P392 WeakPolarHBondContact O-CD 3.2Å; P392-C402 PolarHBondContact O-SG 3.22Å; P392-C402 VanDerWaalsContact O-SG 3.33Å; P392-V431 HydrophobicContact CB-CB 4.44Å; P392-V431 HydrophobicContact CB-CG1 4.06Å; P392-V431 HydrophobicContact CB-CG2 3.48Å; P392-V431 VanDerWaalsContact CB-CG2 3.48Å; P392-V431 HydrophobicContact CG-CG2 3.68Å |
| 393 | Y | 95.2 | Very high | 95.3 | Very high | 115 Ų | 115 | 35.5 Ų | 35.5 | 45% | 0.451 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -91.5 | -7.9 | 175.7 | -53 | -81.4 | 0 | 0 | 0 | 112.2 | D391 L395 G430 | D391-Y393 WeakPolarHBondContact OD1-CA 3.17Å; D391-Y393 WeakPolarHBondContact OD1-CB 3.38Å; D391-Y393 PolarHBondContact OD1-N 3.01Å; Y393-L395 PolarHBondContact O-N 3.41Å; Y393-G430 PolarHBondContact OH-O 3.19Å |
| 394 | A | 95.9 | Very high | 95.2 | Very high | 6 Ų | 6 | 34.6 Ų | 34.6 | 5% | 0.05 | 18% | 0.178 | C | C | . | . | trans | -54.8 | 130.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | T367 H370 D391 | T367-A394 HydrophobicContact CG2-CB 4.39Å; H370-A394 PolarHBondContact CE1-O 2.79Å; H370-A394 PolarHBondContact NE2-O 3.25Å; D391-A394 HydrophobicContact CB-CB 4.2Å; D391-A394 PolarHBondContact OD1-N 2.87Å; D391-A394 WeakPolarHBondContact OD2-CB 3.41Å; D391-A394 PolarHBondContact OD2-N 3.49Å | ||
| 395 | L | 96 | Very high | 95.1 | Very high | 67 Ų | 67 | 35.4 Ų | 35.4 | 35% | 0.351 | 18% | 0.183 | S | C | . | . | B | Isolated β-bridge | trans | -106.3 | 138.6 | 172 | -54.9 | -178.7 | 0 | 0 | 0 | 110.7 | R361 Y393 H400 | R361-L395 VanDerWaalsContact CZ-O 3.29Å; R361-L395 PolarHBondContact NH1-O 3.02Å; R361-L395 PolarHBondContact NH2-O 2.84Å; R361-L395 VanDerWaalsContact NH2-O 3.13Å; Y393-L395 PolarHBondContact O-N 3.41Å; L395-H400 WeakPolarHBondContact CA-O 3.17Å |
| 396 | N | 95.7 | Very high | 94.9 | Very high | 16 Ų | 16 | 35.6 Ų | 35.6 | 9% | 0.086 | 18% | 0.184 | C | C | . | . | trans | -76 | -178.9 | 170.2 | 73.7 | -0 | 0 | 0 | 0 | 112.4 | G365 A366 H370 S398 Q399 H400 | G365-N396 WeakPolarHBondContact O-CA 3.34Å; A366-N396 HydrophobicContact CB-CB 4.15Å; H370-N396 PolarHBondContact NE2-N 3.45Å; N396-S398 PolarHBondContact O-N 3.08Å; N396-S398 WeakPolarHBondContact OD1-CA 3.4Å; N396-S398 WeakPolarHBondContact OD1-CB 3.08Å; N396-S398 PolarHBondContact OD1-N 3.09Å; N396-S398 VanDerWaalsContact OD1-N 3.12Å; N396-Q399 PolarHBondContact O-N 2.94Å; N396-Q399 PolarHBondContact O-NE2 2.84Å; N396-Q399 PolarHBondContact OD1-N 3.15Å; N396-H400 PolarHBondContact N-O 3.28Å; N396-H400 VanDerWaalsContact N-O 3.14Å; N396-H400 PolarHBondContact OD1-N 3.4Å; N396-H400 PolarHBondContact OD1-O 3.07Å | ||
| 397 | N | 96.6 | Very high | 94.7 | Very high | 102 Ų | 102 | 35.3 Ų | 35.3 | 55% | 0.545 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -29.3 | -178.7 | -65.7 | -10 | 0 | 0 | 0 | 112.3 | N363 S364 G365 Q399 | N363-N397 PolarHBondContact O-ND2 3.01Å; N363-N397 VanDerWaalsContact O-ND2 3.14Å; S364-N397 VanDerWaalsContact C-CG 3.44Å; S364-N397 VanDerWaalsContact C-ND2 3.27Å; S364-N397 WeakPolarHBondContact O-CB 3.46Å; S364-N397 PolarHBondContact O-N 2.91Å; S364-N397 PolarHBondContact O-ND2 2.92Å; G365-N397 WeakPolarHBondContact CA-OD1 3.36Å; N397-Q399 PolarHBondContact O-N 3.33Å; N397-Q399 PolarHBondContact O-NE2 2.91Å |
| 398 | S | 93.5 | Very high | 94.4 | Very high | 80 Ų | 80 | 36.9 Ų | 36.9 | 56% | 0.559 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | 5 | 173.8 | -49.9 | 0 | 0 | 0 | 0 | 114.6 | N396 H400 | N396-S398 PolarHBondContact O-N 3.08Å; N396-S398 WeakPolarHBondContact OD1-CA 3.4Å; N396-S398 WeakPolarHBondContact OD1-CB 3.08Å; N396-S398 PolarHBondContact OD1-N 3.09Å; N396-S398 VanDerWaalsContact OD1-N 3.12Å; S398-H400 PolarHBondContact O-CD2 3.45Å; S398-H400 PolarHBondContact O-N 3.34Å |
| 399 | Q | 93.6 | Very high | 93.3 | Very high | 127 Ų | 127 | 40.3 Ų | 40.3 | 59% | 0.593 | 21% | 0.212 | S | C | * | . | trans | 62.8 | 20.7 | -175.1 | -50.7 | -55.7 | -64.5 | 0 | 0 | 114.9 | N396 N397 | N396-Q399 PolarHBondContact O-N 2.94Å; N396-Q399 PolarHBondContact O-NE2 2.84Å; N396-Q399 PolarHBondContact OD1-N 3.15Å; N397-Q399 PolarHBondContact O-N 3.33Å; N397-Q399 PolarHBondContact O-NE2 2.91Å | ||
| 400 | H | 93.5 | Very high | 92.1 | Very high | 54 Ų | 54 | 40.4 Ų | 40.4 | 25% | 0.25 | 22% | 0.22 | C | C | . | . | trans | -87.1 | 135.2 | 174.9 | -62.1 | -172.9 | 0 | 0 | 0 | 110.1 | H370 L395 N396 S398 H404 L405 | H370-H400 PolarHBondContact NE2-O 2.93Å; L395-H400 WeakPolarHBondContact CA-O 3.17Å; N396-H400 PolarHBondContact N-O 3.28Å; N396-H400 VanDerWaalsContact N-O 3.14Å; N396-H400 PolarHBondContact OD1-N 3.4Å; N396-H400 PolarHBondContact OD1-O 3.07Å; S398-H400 PolarHBondContact O-CD2 3.45Å; S398-H400 PolarHBondContact O-N 3.34Å; H400-H404 HydrophobicContact CB-CB 4.44Å; H400-H404 AromaticContact CE1-NE2 3.99Å; H400-H404 AromaticContact CG-CD2 3.69Å; H400-H404 AromaticContact ND1-CD2 3.69Å; H400-L405 HydrophobicContact CB-CD2 3.99Å; H400-L405 HydrophobicContact CB-CG 4.09Å | ||
| 401 | S | 95.1 | Very high | 91.3 | Very high | 9 Ų | 9 | 48.6 Ų | 48.6 | 6% | 0.063 | 26% | 0.263 | C | S | . | . | B | Isolated β-bridge | trans | -89.4 | 169.4 | 170 | 69.5 | 0 | 0 | 0 | 0 | 111.7 | R403 H404 L405 | S401-R403 VanDerWaalsContact C-N 3.32Å; S401-R403 PolarHBondContact O-N 2.92Å; S401-H404 WeakPolarHBondContact O-CB 3.49Å; S401-H404 PolarHBondContact O-N 3.04Å; S401-H404 VanDerWaalsContact O-N 3.14Å; S401-H404 PolarHBondContact OG-N 3.1Å; S401-L405 PolarHBondContact O-N 3.48Å |
| 402 | C | 95.2 | Very high | 90.8 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.007 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.7 | -38.4 | 173.7 | 71.7 | 0 | 0 | 0 | 0 | 112.2 | L369 M373 P392 H404 L405 L406 | L369-C402 HydrophobicContact CD2-CB 4.33Å; L369-C402 HydrophobicContact CG-CB 4.01Å; M373-C402 HydrophobicContact CE-CB 4.38Å; M373-C402 HydrophobicContact CG-CB 3.95Å; M373-C402 WeakPolarHBondContact CG-O 3.37Å; P392-C402 PolarHBondContact O-SG 3.22Å; P392-C402 VanDerWaalsContact O-SG 3.33Å; C402-H404 VanDerWaalsContact C-N 3.29Å; C402-H404 PolarHBondContact O-N 3.13Å; C402-L405 PolarHBondContact O-N 2.81Å; C402-L406 PolarHBondContact O-N 3Å |
| 403 | R | 95.2 | Very high | 90.3 | Very high | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.015 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.2 | -35.5 | 174.5 | -167.3 | -176.8 | 179.6 | 141.4 | 7.1 | 111.8 | S401 C407 L423 L426 D427 V431 S432 G444 C445 | S401-R403 VanDerWaalsContact C-N 3.32Å; S401-R403 PolarHBondContact O-N 2.92Å; R403-C407 PolarHBondContact O-N 3.45Å; R403-C407 PolarHBondContact O-SG 2.92Å; R403-L423 HydrophobicContact CG-CD1 4.03Å; R403-L426 HydrophobicContact CB-CD1 4.19Å; R403-L426 HydrophobicContact CG-CD1 4.42Å; R403-D427 IonicContact CZ-OD1 3.7Å; R403-D427 IonicContact NH1-OD1 2.81Å; R403-D427 PolarHBondContact NH1-OD1 2.69Å; R403-D427 IonicContact NH2-OD1 3.7Å; R403-D427 PolarHBondContact NH2-OD1 2.96Å; R403-V431 HydrophobicContact CB-CG1 4Å; R403-V431 PolarHBondContact NH1-O 3.46Å; R403-S432 WeakPolarHBondContact CD-O 3.47Å; R403-G444 PolarHBondContact NE-O 2.75Å; R403-G444 PolarHBondContact NH2-O 3.14Å; R403-G444 VanDerWaalsContact NH2-O 3.09Å; R403-C445 VanDerWaalsContact C-SG 3.57Å; R403-C445 HydrophobicContact CG-CB 4.12Å |
| 404 | H | 94.8 | Very high | 90 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65 | -52.2 | 174.5 | -172.7 | 90.2 | 0 | 0 | 0 | 111.3 | H400 S401 C402 L406 C407 C408 C434 L439 C445 | H400-H404 HydrophobicContact CB-CB 4.44Å; H400-H404 AromaticContact CE1-NE2 3.99Å; H400-H404 AromaticContact CG-CD2 3.69Å; H400-H404 AromaticContact ND1-CD2 3.69Å; S401-H404 WeakPolarHBondContact O-CB 3.49Å; S401-H404 PolarHBondContact O-N 3.04Å; S401-H404 VanDerWaalsContact O-N 3.14Å; S401-H404 PolarHBondContact OG-N 3.1Å; C402-H404 VanDerWaalsContact C-N 3.29Å; C402-H404 PolarHBondContact O-N 3.13Å; H404-L406 VanDerWaalsContact C-N 3.26Å; H404-L406 PolarHBondContact O-N 3.26Å; H404-C407 WeakPolarHBondContact O-CA 3.25Å; H404-C407 PolarHBondContact O-N 3.18Å; H404-C408 WeakPolarHBondContact NE2-CB 3.44Å; H404-C408 WeakPolarHBondContact O-CB 3.3Å; H404-C408 PolarHBondContact O-N 3.37Å; H404-C434 PolarHBondContact ND1-SG 3Å; H404-L439 PolarHBondContact CE1-O 2.92Å; H404-L439 VanDerWaalsContact CE1-O 3.24Å; H404-C445 VanDerWaalsContact CA-SG 3.56Å; H404-C445 PolarHBondContact N-SG 3.11Å |
| 405 | L | 94.5 | Very high | 89.5 | Confident | 17 Ų | 17 | 50.5 Ų | 50.5 | 9% | 0.089 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.4 | -30.2 | -179.3 | -66.7 | 175.8 | 0 | 0 | 0 | 113.2 | H370 M373 H400 S401 C402 C407 | H370-L405 HydrophobicContact CB-CD1 3.7Å; M373-L405 HydrophobicContact CB-CB 3.92Å; H400-L405 HydrophobicContact CB-CD2 3.99Å; H400-L405 HydrophobicContact CB-CG 4.09Å; S401-L405 PolarHBondContact O-N 3.48Å; C402-L405 PolarHBondContact O-N 2.81Å; L405-C407 PolarHBondContact O-N 2.81Å |
| 406 | L | 93.7 | Very high | 89.1 | Confident | 4 Ų | 4 | 49.1 Ų | 49.1 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.4 | -27.2 | 171.8 | -177.8 | 59.1 | 0 | 0 | 0 | 112.1 | M373 C402 H404 R419 A422 L423 L426 | M373-L406 HydrophobicContact CB-CB 4.2Å; M373-L406 HydrophobicContact CG-CB 4.25Å; M373-L406 HydrophobicContact SD-CB 3.91Å; M373-L406 HydrophobicContact SD-CD1 3.98Å; M373-L406 HydrophobicContact SD-CD2 4.14Å; M373-L406 HydrophobicContact SD-CG 4.22Å; C402-L406 PolarHBondContact O-N 3Å; H404-L406 VanDerWaalsContact C-N 3.26Å; H404-L406 PolarHBondContact O-N 3.26Å; L406-R419 HydrophobicContact CD1-CB 4.45Å; L406-R419 HydrophobicContact CD1-CG 4.31Å; L406-R419 VanDerWaalsContact O-CZ 3.26Å; L406-R419 PolarHBondContact O-NH1 3.32Å; L406-R419 PolarHBondContact O-NH2 3.34Å; L406-A422 HydrophobicContact CD1-CB 4.37Å; L406-A422 HydrophobicContact CD2-CB 3.9Å; L406-L423 HydrophobicContact CD2-CB 3.93Å; L406-L423 HydrophobicContact CD2-CD1 4.4Å; L406-L426 HydrophobicContact CD2-CD1 3.81Å |
| 407 | C | 92 | Very high | 88.8 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.007 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -107.6 | -26 | -167.5 | -63.3 | 0 | 0 | 0 | 0 | 114.6 | R403 H404 L405 N409 Y413 T442 C445 | R403-C407 PolarHBondContact O-N 3.45Å; R403-C407 PolarHBondContact O-SG 2.92Å; H404-C407 WeakPolarHBondContact O-CA 3.25Å; H404-C407 PolarHBondContact O-N 3.18Å; L405-C407 PolarHBondContact O-N 2.81Å; C407-N409 VanDerWaalsContact C-N 3.29Å; C407-N409 PolarHBondContact O-N 3.45Å; C407-N409 VanDerWaalsContact O-N 3.12Å; C407-Y413 HydrophobicContact CB-CD2 4.15Å; C407-T442 WeakPolarHBondContact CB-OG1 3.38Å; C407-T442 WeakPolarHBondContact O-CG2 3.48Å; C407-T442 PolarHBondContact O-OG1 2.8Å; C407-C445 HydrophobicContact CB-CB 3.76Å |
| 408 | C | 87.8 | Confident | 88.5 | Confident | 33 Ų | 33 | 52.9 Ų | 52.9 | 22% | 0.223 | 31% | 0.31 | C | S | . | . | trans | -82.3 | 24.4 | -168.5 | 70.1 | 0 | 0 | 0 | 0 | 116.3 | H404 A410 N440 | H404-C408 WeakPolarHBondContact NE2-CB 3.44Å; H404-C408 WeakPolarHBondContact O-CB 3.3Å; H404-C408 PolarHBondContact O-N 3.37Å; C408-A410 PolarHBondContact O-N 2.94Å; C408-N440 WeakPolarHBondContact CB-O 3.4Å | ||
| 409 | N | 71.7 | Confident | 88.4 | Confident | 75 Ų | 75 | 50 Ų | 50 | 40% | 0.401 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -81.5 | -10.3 | -171.1 | -74.8 | 14.2 | 0 | 0 | 0 | 115 | C407 R419 | C407-N409 VanDerWaalsContact C-N 3.29Å; C407-N409 PolarHBondContact O-N 3.45Å; C407-N409 VanDerWaalsContact O-N 3.12Å; N409-R419 PolarHBondContact ND2-NH1 3.41Å |
| 410 | A | 68.4 | Low | 88.4 | Confident | 48 Ų | 48 | 45 Ų | 45 | 40% | 0.397 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -161.3 | -176.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | C408 S412 I414 T442 | C408-A410 PolarHBondContact O-N 2.94Å; A410-S412 PolarHBondContact O-N 3.21Å; A410-I414 HydrophobicContact CB-CD1 3.94Å; A410-I414 HydrophobicContact CB-CG1 4.18Å; A410-T442 VanDerWaalsContact O-CG2 3.24Å; A410-T442 WeakPolarHBondContact O-CG2 3.4Å |
| 411 | D | 78.7 | Confident | 88.3 | Confident | 178 Ų | 178 | 44 Ų | 44 | 95% | 0.952 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -61.5 | -23.1 | 176.6 | -58.9 | -49 | 0 | 0 | 0 | 113.7 | ||
| 412 | S | 84.1 | Confident | 88.3 | Confident | 63 Ų | 63 | 43.6 Ų | 43.6 | 44% | 0.441 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -130.8 | 168.1 | 171.7 | 72.4 | 0 | 0 | 0 | 0 | 110.4 | A410 | A410-S412 PolarHBondContact O-N 3.21Š|
| 413 | Y | 86.4 | Confident | 88.2 | Confident | 9 Ų | 9 | 43.6 Ų | 43.6 | 4% | 0.035 | 26% | 0.257 | C | S | . | . | trans | -65.5 | 141 | 171.5 | -177.6 | -99.2 | 0 | 0 | 0 | 110.2 | C407 P415 R419 D420 L423 E443 F459 | C407-Y413 HydrophobicContact CB-CD2 4.15Å; Y413-P415 HydrophobicContact CD1-CG 4.19Å; Y413-P415 HydrophobicContact CE1-CB 4.35Å; Y413-P415 HydrophobicContact CE1-CG 4.42Å; Y413-P415 WeakPolarHBondContact O-CD 3.45Å; Y413-R419 PolarHBondContact OH-O 3.28Å; Y413-D420 PolarHBondContact OH-N 2.88Å; Y413-L423 HydrophobicContact CE2-CD2 3.89Å; Y413-E443 VanDerWaalsContact CB-OE1 3.3Å; Y413-E443 WeakPolarHBondContact CB-OE1 3.44Å; Y413-E443 VanDerWaalsContact N-CD 3.32Å; Y413-E443 PolarHBondContact N-OE1 2.95Å; Y413-E443 PolarHBondContact N-OE2 3.49Å; Y413-F459 AromaticContact CD1-CD1 3.88Å; Y413-F459 HydrophobicContact CD1-CD1 3.88Å; Y413-F459 HydrophobicContact CD1-CE1 4.1Å; Y413-F459 AromaticContact CE1-CD1 3.72Å; Y413-F459 HydrophobicContact CE1-CD1 3.72Å; Y413-F459 AromaticContact CE1-CE1 3.53Å; Y413-F459 HydrophobicContact CE1-CE1 3.53Å | ||
| 414 | I | 86.9 | Confident | 88.2 | Confident | 82 Ų | 82 | 47.2 Ų | 47.2 | 42% | 0.421 | 27% | 0.272 | S | S | . | . | trans | -103.2 | 109.3 | 173.6 | -57.3 | 175.4 | 0 | 0 | 0 | 108 | A410 R419 | A410-I414 HydrophobicContact CB-CD1 3.94Å; A410-I414 HydrophobicContact CB-CG1 4.18Å; I414-R419 PolarHBondContact O-NE 2.84Å | ||
| 415 | P | 85.3 | Confident | 88.2 | Confident | 89 Ų | 89 | 47.4 Ų | 47.4 | 58% | 0.578 | 27% | 0.273 | S | S | * | . | trans | -69.2 | 142.9 | 178 | -18.3 | 32.1 | 0 | 0 | 0 | 112.8 | Y413 D420 | Y413-P415 HydrophobicContact CD1-CG 4.19Å; Y413-P415 HydrophobicContact CE1-CB 4.35Å; Y413-P415 HydrophobicContact CE1-CG 4.42Å; Y413-P415 WeakPolarHBondContact O-CD 3.45Å; P415-D420 VanDerWaalsContact CA-OD1 3.27Å; P415-D420 WeakPolarHBondContact CA-OD1 3.49Å | ||
| 416 | S | 89.5 | Confident | 88.2 | Confident | 38 Ų | 38 | 46.6 Ų | 46.6 | 27% | 0.266 | 27% | 0.269 | S | S | . | . | trans | -158.1 | 153.9 | 163.3 | 86.9 | 0 | 0 | 0 | 0 | 109.7 | D418 R419 D420 | S416-D418 VanDerWaalsContact C-N 3.27Å; S416-D418 PolarHBondContact O-N 3.42Å; S416-D418 VanDerWaalsContact O-N 3.13Å; S416-R419 PolarHBondContact O-N 3.29Å; S416-R419 WeakPolarHBondContact OG-CB 3.46Å; S416-R419 WeakPolarHBondContact OG-CD 3.18Å; S416-R419 WeakPolarHBondContact OG-CG 3.32Å; S416-R419 PolarHBondContact OG-N 3.46Å; S416-D420 PolarHBondContact N-OD1 3.05Å; S416-D420 VanDerWaalsContact O-CB 3.24Å; S416-D420 WeakPolarHBondContact O-CB 3.4Å; S416-D420 PolarHBondContact O-N 3.29Å; S416-D420 VanDerWaalsContact O-OD1 3.04Å | ||
| 417 | P | 89.2 | Confident | 88.2 | Confident | 111 Ų | 111 | 48.1 Ų | 48.1 | 72% | 0.721 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -52.1 | -41.7 | -176.5 | -29 | 36.3 | 0 | 0 | 0 | 114.2 | L421 | P417-L421 WeakPolarHBondContact O-CB 3.44Å; P417-L421 PolarHBondContact O-N 3.19Å; P417-L421 VanDerWaalsContact O-N 3.16Å |
| 418 | D | 89.1 | Confident | 88.1 | Confident | 87 Ų | 87 | 48.8 Ų | 48.8 | 47% | 0.465 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -73.3 | -40.9 | 176.3 | -69.9 | -67.7 | 0 | 0 | 0 | 113.3 | I379 S416 A422 | I379-D418 WeakPolarHBondContact CG2-OD1 3.39Å; S416-D418 VanDerWaalsContact C-N 3.27Å; S416-D418 PolarHBondContact O-N 3.42Å; S416-D418 VanDerWaalsContact O-N 3.13Å; D418-A422 WeakPolarHBondContact O-CB 3.47Å; D418-A422 PolarHBondContact O-N 3.41Å |
| 419 | R | 91.8 | Very high | 88.3 | Confident | 20 Ų | 20 | 48.2 Ų | 48.2 | 8% | 0.075 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -69.9 | -40 | -179.3 | -71.9 | 168.3 | 57.8 | 78.3 | 9.7 | 111.5 | N376 L406 N409 Y413 I414 S416 A422 L423 | N376-R419 PolarHBondContact OD1-NH1 3.33Å; L406-R419 HydrophobicContact CD1-CB 4.45Å; L406-R419 HydrophobicContact CD1-CG 4.31Å; L406-R419 VanDerWaalsContact O-CZ 3.26Å; L406-R419 PolarHBondContact O-NH1 3.32Å; L406-R419 PolarHBondContact O-NH2 3.34Å; N409-R419 PolarHBondContact ND2-NH1 3.41Å; Y413-R419 PolarHBondContact OH-O 3.28Å; I414-R419 PolarHBondContact O-NE 2.84Å; S416-R419 PolarHBondContact O-N 3.29Å; S416-R419 WeakPolarHBondContact OG-CB 3.46Å; S416-R419 WeakPolarHBondContact OG-CD 3.18Å; S416-R419 WeakPolarHBondContact OG-CG 3.32Å; S416-R419 PolarHBondContact OG-N 3.46Å; R419-A422 PolarHBondContact O-N 3.02Å; R419-L423 WeakPolarHBondContact O-CB 3.2Å; R419-L423 PolarHBondContact O-N 3.26Å |
| 420 | D | 92.9 | Very high | 89.3 | Confident | 20 Ų | 20 | 45.5 Ų | 45.5 | 11% | 0.107 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.4 | -43.9 | 176.1 | -71.8 | 23.8 | 0 | 0 | 0 | 110.7 | Y413 P415 S416 L423 Y424 F459 G461 T462 | Y413-D420 PolarHBondContact OH-N 2.88Å; P415-D420 VanDerWaalsContact CA-OD1 3.27Å; P415-D420 WeakPolarHBondContact CA-OD1 3.49Å; S416-D420 PolarHBondContact N-OD1 3.05Å; S416-D420 VanDerWaalsContact O-CB 3.24Å; S416-D420 WeakPolarHBondContact O-CB 3.4Å; S416-D420 PolarHBondContact O-N 3.29Å; S416-D420 VanDerWaalsContact O-OD1 3.04Å; D420-L423 PolarHBondContact O-N 3.05Å; D420-Y424 WeakPolarHBondContact O-CB 3.43Å; D420-Y424 PolarHBondContact O-N 2.98Å; D420-F459 HydrophobicContact CB-CZ 4.41Å; D420-G461 WeakPolarHBondContact O-CA 3.42Å; D420-T462 PolarHBondContact O-N 2.93Å; D420-T462 PolarHBondContact OD2-OG1 3.46Å |
| 421 | L | 92.3 | Very high | 90.5 | Very high | 34 Ų | 34 | 43.3 Ų | 43.3 | 18% | 0.178 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -72.7 | -31.1 | 178.8 | -173.5 | 60 | 0 | 0 | 0 | 112.1 | I379 P417 Y424 T425 P464 | I379-L421 HydrophobicContact CD1-CG 4.3Å; I379-L421 HydrophobicContact CG1-CD2 4.02Å; I379-L421 HydrophobicContact CG1-CG 4.04Å; P417-L421 WeakPolarHBondContact O-CB 3.44Å; P417-L421 PolarHBondContact O-N 3.19Å; P417-L421 VanDerWaalsContact O-N 3.16Å; L421-Y424 HydrophobicContact CD1-CD1 4.33Å; L421-T425 VanDerWaalsContact O-CB 3.31Å; L421-T425 WeakPolarHBondContact O-CB 3.4Å; L421-T425 PolarHBondContact O-N 3.08Å; L421-T425 PolarHBondContact O-OG1 2.89Å; L421-P464 HydrophobicContact CD1-CB 4.29Å; L421-P464 HydrophobicContact CD1-CG 4.37Å |
| 422 | A | 94.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.008 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.2 | -46 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | I379 I382 L406 D418 R419 Y424 T425 L426 | I379-A422 HydrophobicContact CD1-CB 4.03Å; I382-A422 HydrophobicContact CD1-CB 3.77Å; L406-A422 HydrophobicContact CD1-CB 4.37Å; L406-A422 HydrophobicContact CD2-CB 3.9Å; D418-A422 WeakPolarHBondContact O-CB 3.47Å; D418-A422 PolarHBondContact O-N 3.41Å; R419-A422 PolarHBondContact O-N 3.02Å; A422-Y424 PolarHBondContact O-N 3.38Å; A422-T425 WeakPolarHBondContact O-CB 3.39Å; A422-T425 PolarHBondContact O-N 3.38Å; A422-T425 VanDerWaalsContact O-N 3.14Å; A422-L426 WeakPolarHBondContact O-CG 3.2Å; A422-L426 PolarHBondContact O-N 3.21Å |
| 423 | L | 94.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63 | -43.6 | 177.8 | -178 | 58.7 | 0 | 0 | 0 | 111.2 | R403 L406 Y413 R419 D420 T425 L426 D427 F459 N460 | R403-L423 HydrophobicContact CG-CD1 4.03Å; L406-L423 HydrophobicContact CD2-CB 3.93Å; L406-L423 HydrophobicContact CD2-CD1 4.4Å; Y413-L423 HydrophobicContact CE2-CD2 3.89Å; R419-L423 WeakPolarHBondContact O-CB 3.2Å; R419-L423 PolarHBondContact O-N 3.26Å; D420-L423 PolarHBondContact O-N 3.05Å; L423-T425 VanDerWaalsContact C-N 3.32Å; L423-T425 PolarHBondContact O-N 3.13Å; L423-L426 PolarHBondContact O-N 2.87Å; L423-D427 WeakPolarHBondContact O-CB 3.28Å; L423-D427 PolarHBondContact O-N 3.01Å; L423-F459 HydrophobicContact CD2-CD1 3.83Å; L423-F459 HydrophobicContact CD2-CE1 4.23Å; L423-N460 CarbonylContact C-O 3.59Å |
| 424 | Y | 94.2 | Very high | 91.9 | Very high | 81 Ų | 81 | 37.1 Ų | 37.1 | 32% | 0.318 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59.4 | -42.2 | 172 | 173.5 | -99 | 0 | 0 | 0 | 112.1 | D420 L421 A422 L426 D427 A428 N460 P463 | D420-Y424 WeakPolarHBondContact O-CB 3.43Å; D420-Y424 PolarHBondContact O-N 2.98Å; L421-Y424 HydrophobicContact CD1-CD1 4.33Å; A422-Y424 PolarHBondContact O-N 3.38Å; Y424-L426 PolarHBondContact O-N 3.07Å; Y424-D427 PolarHBondContact O-N 3.04Å; Y424-A428 WeakPolarHBondContact O-CB 3.46Å; Y424-A428 PolarHBondContact O-N 3.27Å; Y424-N460 WeakPolarHBondContact CA-O 3.28Å; Y424-N460 PolarHBondContact N-O 3.03Å; Y424-P463 HydrophobicContact CD2-CB 4.04Å; Y424-P463 HydrophobicContact CE1-CB 4.22Å; Y424-P463 HydrophobicContact CE2-CB 3.69Å; Y424-P463 HydrophobicContact CG-CB 4.45Å |
| 425 | T | 94 | Very high | 92.1 | Very high | 5 Ų | 5 | 37.4 Ų | 37.4 | 3% | 0.031 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.7 | -43 | 176.9 | -61.5 | 0 | 0 | 0 | 0 | 111.4 | R383 L386 L421 A422 L423 L429 V1108 | R383-T425 HydrophobicContact CG-CG2 4.47Å; L386-T425 HydrophobicContact CD1-CG2 4Å; L421-T425 VanDerWaalsContact O-CB 3.31Å; L421-T425 WeakPolarHBondContact O-CB 3.4Å; L421-T425 PolarHBondContact O-N 3.08Å; L421-T425 PolarHBondContact O-OG1 2.89Å; A422-T425 WeakPolarHBondContact O-CB 3.39Å; A422-T425 PolarHBondContact O-N 3.38Å; A422-T425 VanDerWaalsContact O-N 3.14Å; L423-T425 VanDerWaalsContact C-N 3.32Å; L423-T425 PolarHBondContact O-N 3.13Å; T425-L429 HydrophobicContact CG2-CD1 4.23Å; T425-L429 WeakPolarHBondContact O-CB 3.48Å; T425-L429 VanDerWaalsContact O-CG 3.24Å; T425-L429 WeakPolarHBondContact O-CG 3.32Å; T425-L429 PolarHBondContact O-N 3.31Å; T425-L429 VanDerWaalsContact O-N 3.14Å; T425-V1108 HydrophobicContact CG2-CG1 3.6Å |
| 426 | L | 95.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.6 | -40.7 | 175.9 | -64.4 | 175.6 | 0 | 0 | 0 | 112 | M373 L386 R403 L406 A422 L423 Y424 L429 G430 V431 | M373-L426 HydrophobicContact CE-CD1 4.05Å; M373-L426 HydrophobicContact CE-CD2 4.32Å; M373-L426 HydrophobicContact SD-CD1 4.49Å; L386-L426 HydrophobicContact CD1-CD2 4.27Å; L386-L426 HydrophobicContact CD2-CD2 4.49Å; R403-L426 HydrophobicContact CB-CD1 4.19Å; R403-L426 HydrophobicContact CG-CD1 4.42Å; L406-L426 HydrophobicContact CD2-CD1 3.81Å; A422-L426 WeakPolarHBondContact O-CG 3.2Å; A422-L426 PolarHBondContact O-N 3.21Å; L423-L426 PolarHBondContact O-N 2.87Å; Y424-L426 PolarHBondContact O-N 3.07Å; L426-L429 PolarHBondContact O-N 2.82Å; L426-G430 PolarHBondContact O-N 3.32Å; L426-V431 HydrophobicContact CB-CB 4.03Å; L426-V431 HydrophobicContact CB-CG2 4.04Å; L426-V431 HydrophobicContact CD2-CG2 3.93Å; L426-V431 WeakPolarHBondContact O-CB 3.4Å; L426-V431 VanDerWaalsContact O-CG2 3.29Å; L426-V431 WeakPolarHBondContact O-CG2 3.4Å; L426-V431 PolarHBondContact O-N 3.38Å |
| 427 | D | 93.8 | Very high | 92 | Very high | 35 Ų | 35 | 38.9 Ų | 38.9 | 19% | 0.187 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.8 | -40.6 | 179.9 | -161.4 | 79.9 | 0 | 0 | 0 | 112.5 | R403 L423 Y424 G430 N460 R1115 | R403-D427 IonicContact CZ-OD1 3.7Å; R403-D427 IonicContact NH1-OD1 2.81Å; R403-D427 PolarHBondContact NH1-OD1 2.69Å; R403-D427 IonicContact NH2-OD1 3.7Å; R403-D427 PolarHBondContact NH2-OD1 2.96Å; L423-D427 WeakPolarHBondContact O-CB 3.28Å; L423-D427 PolarHBondContact O-N 3.01Å; Y424-D427 PolarHBondContact O-N 3.04Å; D427-G430 PolarHBondContact O-N 3Å; D427-N460 HydrophobicContact CB-CB 4.26Å; D427-N460 VanDerWaalsContact CG-ND2 3.26Å; D427-N460 PolarHBondContact OD1-ND2 3.05Å; D427-N460 PolarHBondContact OD2-ND2 2.89Å; D427-R1115 PolarHBondContact O-NH1 2.72Å |
| 428 | A | 91.1 | Very high | 91.9 | Very high | 16 Ų | 16 | 35.4 Ų | 35.4 | 13% | 0.132 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.2 | -42.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y424 G430 T1112 R1115 | Y424-A428 WeakPolarHBondContact O-CB 3.46Å; Y424-A428 PolarHBondContact O-N 3.27Å; A428-G430 PolarHBondContact O-N 3.36Å; A428-T1112 HydrophobicContact CB-CG2 3.88Å; A428-R1115 WeakPolarHBondContact O-CD 3.44Å; A428-R1115 PolarHBondContact O-NH1 2.96Å |
| 429 | L | 91.9 | Very high | 91.7 | Very high | 21 Ų | 21 | 37.7 Ų | 37.7 | 11% | 0.11 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -71 | -12.3 | 172.8 | -69 | 175.2 | 0 | 0 | 0 | 114 | L386 T425 L426 V431 V1108 Q1111 | L386-L429 HydrophobicContact CB-CD1 4.36Å; L386-L429 HydrophobicContact CD1-CD1 3.8Å; L386-L429 HydrophobicContact CD2-CD1 4.1Å; L386-L429 HydrophobicContact CG-CD1 4.31Å; T425-L429 HydrophobicContact CG2-CD1 4.23Å; T425-L429 WeakPolarHBondContact O-CB 3.48Å; T425-L429 VanDerWaalsContact O-CG 3.24Å; T425-L429 WeakPolarHBondContact O-CG 3.32Å; T425-L429 PolarHBondContact O-N 3.31Å; T425-L429 VanDerWaalsContact O-N 3.14Å; L426-L429 PolarHBondContact O-N 2.82Å; L429-V431 HydrophobicContact CB-CG2 4.32Å; L429-V1108 HydrophobicContact CD1-CG1 4.34Å; L429-Q1111 HydrophobicContact CD2-CB 3.44Å; L429-Q1111 VanDerWaalsContact CD2-CB 3.44Å |
| 430 | G | 90.9 | Very high | 91.4 | Very high | 17 Ų | 17 | 42.3 Ų | 42.3 | 18% | 0.175 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.9 | 14.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y393 L426 D427 A428 S432 R1115 | Y393-G430 PolarHBondContact OH-O 3.19Å; L426-G430 PolarHBondContact O-N 3.32Å; D427-G430 PolarHBondContact O-N 3Å; A428-G430 PolarHBondContact O-N 3.36Å; G430-S432 PolarHBondContact O-N 2.87Å; G430-R1115 VanDerWaalsContact CA-NH1 3.27Å |
| 431 | V | 93.8 | Very high | 91.2 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.012 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 121.3 | 179.8 | -174.7 | 0 | 0 | 0 | 0 | 109.6 | P392 R403 L426 L429 | P392-V431 HydrophobicContact CB-CB 4.44Å; P392-V431 HydrophobicContact CB-CG1 4.06Å; P392-V431 HydrophobicContact CB-CG2 3.48Å; P392-V431 VanDerWaalsContact CB-CG2 3.48Å; P392-V431 HydrophobicContact CG-CG2 3.68Å; R403-V431 HydrophobicContact CB-CG1 4Å; R403-V431 PolarHBondContact NH1-O 3.46Å; L426-V431 HydrophobicContact CB-CB 4.03Å; L426-V431 HydrophobicContact CB-CG2 4.04Å; L426-V431 HydrophobicContact CD2-CG2 3.93Å; L426-V431 WeakPolarHBondContact O-CB 3.4Å; L426-V431 VanDerWaalsContact O-CG2 3.29Å; L426-V431 WeakPolarHBondContact O-CG2 3.4Å; L426-V431 PolarHBondContact O-N 3.38Å; L429-V431 HydrophobicContact CB-CG2 4.32Å |
| 432 | S | 92.5 | Very high | 91.2 | Very high | 68 Ų | 68 | 40.4 Ų | 40.4 | 48% | 0.476 | 25% | 0.247 | S | C | . | . | P | Polyproline II helix | trans | -62.6 | 149.7 | -168.5 | 44.2 | 0 | 0 | 0 | 0 | 113 | R403 G430 | R403-S432 WeakPolarHBondContact CD-O 3.47Å; G430-S432 PolarHBondContact O-N 2.87Å |
| 433 | R | 93.7 | Very high | 90.9 | Very high | 41 Ų | 41 | 42 Ų | 42 | 16% | 0.155 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -70.5 | 156.4 | 165.1 | -77.3 | 174.1 | 170.6 | -79.6 | -10.2 | 109.5 | E443 G444 C445 M446 V458 F459 N460 | R433-E443 PolarHBondContact NH1-O 3.37Å; R433-E443 PolarHBondContact NH2-O 3.13Å; R433-G444 PolarHBondContact NH1-O 2.81Å; R433-G444 PolarHBondContact NH2-O 3.43Å; R433-C445 CarbonylContact C-O 3.55Å; R433-C445 VanDerWaalsContact CA-O 3.32Å; R433-C445 WeakPolarHBondContact CA-O 3.4Å; R433-C445 WeakPolarHBondContact CB-O 3.14Å; R433-C445 WeakPolarHBondContact CG-O 3.27Å; R433-M446 WeakPolarHBondContact CD-O 3.34Å; R433-M446 PolarHBondContact NH1-O 2.89Å; R433-V458 VanDerWaalsContact CZ-CG1 3.47Å; R433-F459 PolarHBondContact NH2-O 3.37Å; R433-N460 PolarHBondContact NH2-OD1 2.78Å |
| 434 | C | 92.9 | Very high | 90.7 | Very high | 11 Ų | 11 | 42 Ų | 42 | 7% | 0.074 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -62 | 147.7 | 173.8 | -82.5 | 0 | 0 | 0 | 0 | 110.8 | H404 T438 C445 D447 | H404-C434 PolarHBondContact ND1-SG 3Å; C434-T438 HydrophobicContact CB-CG2 4.21Å; C434-C445 PolarHBondContact N-O 3.47Å; C434-D447 WeakPolarHBondContact O-CB 3.44Å; C434-D447 PolarHBondContact O-N 3.47Å |
| 435 | P | 91.5 | Very high | 90.7 | Very high | 89 Ų | 89 | 38.1 Ų | 38.1 | 58% | 0.578 | 24% | 0.239 | S | C | * | . | P | Polyproline II helix | trans | -63.5 | 161.4 | 175.1 | 28.3 | -35.1 | 0 | 0 | 0 | 111.6 | G437 T438 | P435-G437 PolarHBondContact O-N 3.19Å; P435-T438 WeakPolarHBondContact CD-OG1 3.37Å; P435-T438 PolarHBondContact O-N 2.97Å; P435-T438 PolarHBondContact O-OG1 3.41Å; P435-T438 VanDerWaalsContact O-OG1 3.12Å |
| 436 | P | 88.6 | Confident | 90.6 | Very high | 93 Ų | 93 | 38.3 Ų | 38.3 | 60% | 0.604 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | 132.3 | 175.4 | -28.5 | 35 | 0 | 0 | 0 | 112.9 | D447 C450 | P436-D447 HydrophobicContact CG-CB 4.29Å; P436-C450 VanDerWaalsContact CA-SG 3.6Å |
| 437 | G | 83.2 | Confident | 90.4 | Very high | 64 Ų | 64 | 39.8 Ų | 39.8 | 66% | 0.66 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 84.7 | 2.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | P435 L439 | P435-G437 PolarHBondContact O-N 3.19Å; G437-L439 PolarHBondContact O-N 3.01Å |
| 438 | T | 88 | Confident | 90.2 | Very high | 39 Ų | 39 | 42.8 Ų | 42.8 | 24% | 0.239 | 26% | 0.263 | C | S | . | . | trans | -57.4 | 131.8 | 172.3 | -55.8 | 0 | 0 | 0 | 0 | 111.7 | C434 P435 | C434-T438 HydrophobicContact CB-CG2 4.21Å; P435-T438 WeakPolarHBondContact CD-OG1 3.37Å; P435-T438 PolarHBondContact O-N 2.97Å; P435-T438 PolarHBondContact O-OG1 3.41Å; P435-T438 VanDerWaalsContact O-OG1 3.12Å | ||
| 439 | L | 85.7 | Confident | 90.1 | Very high | 134 Ų | 134 | 47.1 Ų | 47.1 | 70% | 0.702 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | 152.4 | 179.5 | -144.3 | 80.4 | 0 | 0 | 0 | 111.5 | H404 G437 C441 | H404-L439 PolarHBondContact CE1-O 2.92Å; H404-L439 VanDerWaalsContact CE1-O 3.24Å; G437-L439 PolarHBondContact O-N 3.01Å; L439-C441 PolarHBondContact O-N 3.25Å |
| 440 | N | 85.2 | Confident | 90 | Very high | 117 Ų | 117 | 47 Ų | 47 | 63% | 0.626 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 21 | 173.8 | -58 | 1.6 | 0 | 0 | 0 | 116 | C408 | C408-N440 WeakPolarHBondContact CB-O 3.4Š|
| 441 | C | 88.8 | Confident | 89.8 | Confident | 13 Ų | 13 | 46.2 Ų | 46.2 | 9% | 0.088 | 27% | 0.273 | C | S | . | . | trans | -86.4 | 132.3 | 179.9 | -154.1 | 0 | 0 | 0 | 0 | 111.3 | L439 M446 | L439-C441 PolarHBondContact O-N 3.25Å; C441-M446 WeakPolarHBondContact O-CE 3.33Å; C441-M446 VanDerWaalsContact SG-CA 3.58Å; C441-M446 PolarHBondContact SG-N 3.44Å | ||
| 442 | T | 90.7 | Very high | 89.5 | Confident | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.012 | 31% | 0.306 | C | S | . | . | trans | -107.5 | 168.7 | -178.6 | 61.4 | 0 | 0 | 0 | 0 | 111.2 | C407 A410 G444 C445 M446 | C407-T442 WeakPolarHBondContact CB-OG1 3.38Å; C407-T442 WeakPolarHBondContact O-CG2 3.48Å; C407-T442 PolarHBondContact O-OG1 2.8Å; A410-T442 VanDerWaalsContact O-CG2 3.24Å; A410-T442 WeakPolarHBondContact O-CG2 3.4Å; T442-G444 PolarHBondContact O-N 3.25Å; T442-C445 PolarHBondContact O-N 3.04Å; T442-M446 WeakPolarHBondContact O-CB 3.23Å; T442-M446 PolarHBondContact O-N 3.27Å | ||
| 443 | E | 89.3 | Confident | 89.3 | Confident | 34 Ų | 34 | 57.1 Ų | 57.1 | 16% | 0.159 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | -23.4 | -174.2 | 62.2 | -83.9 | -163.5 | 0 | 0 | 115.6 | Y413 R433 F459 | Y413-E443 VanDerWaalsContact CB-OE1 3.3Å; Y413-E443 WeakPolarHBondContact CB-OE1 3.44Å; Y413-E443 VanDerWaalsContact N-CD 3.32Å; Y413-E443 PolarHBondContact N-OE1 2.95Å; Y413-E443 PolarHBondContact N-OE2 3.49Å; R433-E443 PolarHBondContact NH1-O 3.37Å; R433-E443 PolarHBondContact NH2-O 3.13Å; E443-F459 HydrophobicContact CG-CB 4.45Å; E443-F459 PolarHBondContact O-N 2.91Å |
| 444 | G | 90.1 | Very high | 89 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -27.4 | 173 | 0 | 0 | 0 | 0 | 0 | 114.9 | R403 R433 T442 F459 | R403-G444 PolarHBondContact NE-O 2.75Å; R403-G444 PolarHBondContact NH2-O 3.14Å; R403-G444 VanDerWaalsContact NH2-O 3.09Å; R433-G444 PolarHBondContact NH1-O 2.81Å; R433-G444 PolarHBondContact NH2-O 3.43Å; T442-G444 PolarHBondContact O-N 3.25Å; G444-F459 WeakPolarHBondContact CA-O 3.19Å |
| 445 | C | 94 | Very high | 88.8 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -131.4 | -17.2 | -174 | -171.5 | 0 | 0 | 0 | 0 | 114.5 | R403 H404 C407 R433 C434 T442 | R403-C445 VanDerWaalsContact C-SG 3.57Å; R403-C445 HydrophobicContact CG-CB 4.12Å; H404-C445 VanDerWaalsContact CA-SG 3.56Å; H404-C445 PolarHBondContact N-SG 3.11Å; C407-C445 HydrophobicContact CB-CB 3.76Å; R433-C445 CarbonylContact C-O 3.55Å; R433-C445 VanDerWaalsContact CA-O 3.32Å; R433-C445 WeakPolarHBondContact CA-O 3.4Å; R433-C445 WeakPolarHBondContact CB-O 3.14Å; R433-C445 WeakPolarHBondContact CG-O 3.27Å; C434-C445 PolarHBondContact N-O 3.47Å; T442-C445 PolarHBondContact O-N 3.04Å |
| 446 | M | 91.2 | Very high | 88.5 | Confident | 9 Ų | 9 | 68 Ų | 68 | 4% | 0.044 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -58 | 143.6 | 179.1 | -171.3 | -175.5 | -59.3 | 0 | 0 | 111.5 | R433 C441 T442 C450 A451 L456 | R433-M446 WeakPolarHBondContact CD-O 3.34Å; R433-M446 PolarHBondContact NH1-O 2.89Å; C441-M446 WeakPolarHBondContact O-CE 3.33Å; C441-M446 VanDerWaalsContact SG-CA 3.58Å; C441-M446 PolarHBondContact SG-N 3.44Å; T442-M446 WeakPolarHBondContact O-CB 3.23Å; T442-M446 PolarHBondContact O-N 3.27Å; M446-C450 HydrophobicContact CG-CB 3.78Å; M446-C450 HydrophobicContact SD-CB 3.89Å; M446-A451 HydrophobicContact SD-CB 4.19Å; M446-L456 HydrophobicContact CE-CD1 3.71Å; M446-L456 HydrophobicContact SD-CD1 4.09Å |
| 447 | D | 92 | Very high | 88.4 | Confident | 31 Ų | 31 | 69.6 Ų | 69.6 | 17% | 0.166 | 37% | 0.368 | C | S | . | . | trans | -47.9 | 148.5 | 166.5 | 162.9 | 57.9 | 0 | 0 | 0 | 112.6 | C434 P436 E449 C450 A451 | C434-D447 WeakPolarHBondContact O-CB 3.44Å; C434-D447 PolarHBondContact O-N 3.47Å; P436-D447 HydrophobicContact CG-CB 4.29Å; D447-E449 WeakPolarHBondContact OD2-CB 3.47Å; D447-E449 PolarHBondContact OD2-N 3.24Å; D447-E449 VanDerWaalsContact OD2-N 3.16Å; D447-C450 HydrophobicContact CB-CB 4.04Å; D447-C450 WeakPolarHBondContact OD2-CB 3.37Å; D447-C450 PolarHBondContact OD2-N 3.06Å; D447-C450 PolarHBondContact OD2-SG 2.99Å; D447-A451 WeakPolarHBondContact O-CB 3.3Å; D447-A451 PolarHBondContact O-N 2.63Å | ||
| 448 | L | 89.8 | Confident | 88.7 | Confident | 98 Ų | 98 | 69.5 Ų | 69.5 | 51% | 0.513 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -69 | -42.6 | -175.8 | -60.1 | 178.2 | 0 | 0 | 0 | 112.1 | A451 E452 V458 | L448-A451 PolarHBondContact O-N 3.08Å; L448-E452 PolarHBondContact O-N 3.28Å; L448-V458 HydrophobicContact CD2-CB 4.45Å; L448-V458 HydrophobicContact CD2-CG1 3.76Å; L448-V458 HydrophobicContact CD2-CG2 3.93Å |
| 449 | E | 89 | Confident | 88.8 | Confident | 107 Ų | 107 | 70.4 Ų | 70.4 | 50% | 0.5 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -68.3 | -40.3 | 178 | -58.7 | -167.1 | 172.1 | 0 | 0 | 110.7 | D447 A451 E452 Q453 | D447-E449 WeakPolarHBondContact OD2-CB 3.47Å; D447-E449 PolarHBondContact OD2-N 3.24Å; D447-E449 VanDerWaalsContact OD2-N 3.16Å; E449-A451 VanDerWaalsContact C-N 3.32Å; E449-A451 PolarHBondContact O-N 3.41Å; E449-E452 PolarHBondContact O-N 2.92Å; E449-Q453 WeakPolarHBondContact O-CB 3.43Å; E449-Q453 WeakPolarHBondContact O-CG 3.31Å; E449-Q453 PolarHBondContact O-N 2.96Å |
| 450 | C | 88.3 | Confident | 89 | Confident | 18 Ų | 18 | 67 Ų | 67 | 12% | 0.122 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.4 | -37.8 | 173.6 | -69.5 | 0 | 0 | 0 | 0 | 112.8 | P436 M446 D447 R454 | P436-C450 VanDerWaalsContact CA-SG 3.6Å; M446-C450 HydrophobicContact CG-CB 3.78Å; M446-C450 HydrophobicContact SD-CB 3.89Å; D447-C450 HydrophobicContact CB-CB 4.04Å; D447-C450 WeakPolarHBondContact OD2-CB 3.37Å; D447-C450 PolarHBondContact OD2-N 3.06Å; D447-C450 PolarHBondContact OD2-SG 2.99Å; C450-R454 VanDerWaalsContact O-CG 3.28Å; C450-R454 WeakPolarHBondContact O-CG 3.34Å; C450-R454 PolarHBondContact O-N 3.1Å |
| 451 | A | 87.4 | Confident | 89.3 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -69.3 | -44.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | M446 D447 L448 E449 R454 N455 L456 V458 | M446-A451 HydrophobicContact SD-CB 4.19Å; D447-A451 WeakPolarHBondContact O-CB 3.3Å; D447-A451 PolarHBondContact O-N 2.63Å; L448-A451 PolarHBondContact O-N 3.08Å; E449-A451 VanDerWaalsContact C-N 3.32Å; E449-A451 PolarHBondContact O-N 3.41Å; A451-R454 CarbonylContact O-C 3.53Å; A451-R454 PolarHBondContact O-N 2.9Å; A451-R454 VanDerWaalsContact O-N 3.14Å; A451-N455 PolarHBondContact O-N 2.86Å; A451-N455 VanDerWaalsContact O-N 3.12Å; A451-L456 HydrophobicContact CB-CB 4.35Å; A451-L456 PolarHBondContact O-N 2.86Å; A451-V458 HydrophobicContact CB-CG2 3.67Å |
| 452 | E | 87.3 | Confident | 89.3 | Confident | 154 Ų | 154 | 64.5 Ų | 64.5 | 72% | 0.72 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -61.8 | -45.3 | 176.3 | -172.9 | 171.9 | -163.1 | 0 | 0 | 111.5 | L448 E449 R454 N455 | L448-E452 PolarHBondContact O-N 3.28Å; E449-E452 PolarHBondContact O-N 2.92Å; E452-R454 PolarHBondContact O-N 3.28Å; E452-R454 VanDerWaalsContact O-N 3.17Å; E452-N455 PolarHBondContact O-N 3.21Å |
| 453 | Q | 88.9 | Confident | 88.9 | Confident | 145 Ų | 145 | 67.9 Ų | 67.9 | 68% | 0.678 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -59.1 | -26.9 | 174.9 | -73.1 | 171.1 | 37.5 | 0 | 0 | 113.4 | E449 | E449-Q453 WeakPolarHBondContact O-CB 3.43Å; E449-Q453 WeakPolarHBondContact O-CG 3.31Å; E449-Q453 PolarHBondContact O-N 2.96Å |
| 454 | R | 86.8 | Confident | 88.4 | Confident | 151 Ų | 151 | 68.7 Ų | 68.7 | 57% | 0.57 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | 1 | 176.5 | -67.4 | 178 | -172.6 | -163.1 | 5.4 | 113.7 | C450 A451 E452 L456 | C450-R454 VanDerWaalsContact O-CG 3.28Å; C450-R454 WeakPolarHBondContact O-CG 3.34Å; C450-R454 PolarHBondContact O-N 3.1Å; A451-R454 CarbonylContact O-C 3.53Å; A451-R454 PolarHBondContact O-N 2.9Å; A451-R454 VanDerWaalsContact O-N 3.14Å; E452-R454 PolarHBondContact O-N 3.28Å; E452-R454 VanDerWaalsContact O-N 3.17Å; R454-L456 HydrophobicContact CB-CD1 3.85Å; R454-L456 HydrophobicContact CB-CG 3.82Å; R454-L456 PolarHBondContact O-N 3.48Å |
| 455 | N | 88.9 | Confident | 87.3 | Confident | 152 Ų | 152 | 78.5 Ų | 78.5 | 81% | 0.813 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 34 | -170 | -62.7 | -78.6 | 0 | 0 | 0 | 113.8 | A451 E452 | A451-N455 PolarHBondContact O-N 2.86Å; A451-N455 VanDerWaalsContact O-N 3.12Å; E452-N455 PolarHBondContact O-N 3.21Å |
| 456 | L | 85.8 | Confident | 85.8 | Confident | 66 Ų | 66 | 82 Ų | 82 | 35% | 0.346 | 43% | 0.427 | S | S | . | . | trans | -90.7 | 133.2 | 177.5 | -65.6 | 173.6 | 0 | 0 | 0 | 110.9 | M446 A451 R454 V458 | M446-L456 HydrophobicContact CE-CD1 3.71Å; M446-L456 HydrophobicContact SD-CD1 4.09Å; A451-L456 HydrophobicContact CB-CB 4.35Å; A451-L456 PolarHBondContact O-N 2.86Å; R454-L456 HydrophobicContact CB-CD1 3.85Å; R454-L456 HydrophobicContact CB-CG 3.82Å; R454-L456 PolarHBondContact O-N 3.48Å; L456-V458 PolarHBondContact O-N 3.46Å | ||
| 457 | T | 86.9 | Confident | 83.7 | Confident | 127 Ų | 127 | 85.5 Ų | 85.5 | 78% | 0.779 | 45% | 0.448 | S | S | * | . | trans | -74.8 | 111 | 172.1 | 49.9 | 0 | 0 | 0 | 0 | 110 | F459 | T457-F459 PolarHBondContact O-N 3.42Š| ||
| 458 | V | 88.3 | Confident | 81.5 | Confident | 62 Ų | 62 | 88.2 Ų | 88.2 | 38% | 0.376 | 47% | 0.468 | S | S | . | . | trans | -58.5 | 128.2 | 178.1 | 179.8 | 0 | 0 | 0 | 0 | 110.8 | R433 L448 A451 L456 | R433-V458 VanDerWaalsContact CZ-CG1 3.47Å; L448-V458 HydrophobicContact CD2-CB 4.45Å; L448-V458 HydrophobicContact CD2-CG1 3.76Å; L448-V458 HydrophobicContact CD2-CG2 3.93Å; A451-V458 HydrophobicContact CB-CG2 3.67Å; L456-V458 PolarHBondContact O-N 3.46Å | ||
| 459 | F | 90.8 | Very high | 79.6 | Confident | 58 Ų | 58 | 86.1 Ų | 86.1 | 25% | 0.254 | 46% | 0.455 | S | S | . | . | trans | -114.5 | 133.8 | 177.5 | -173.7 | -121.1 | 0 | 0 | 0 | 111 | Y413 D420 L423 R433 E443 G444 T457 G461 | Y413-F459 AromaticContact CD1-CD1 3.88Å; Y413-F459 HydrophobicContact CD1-CD1 3.88Å; Y413-F459 HydrophobicContact CD1-CE1 4.1Å; Y413-F459 AromaticContact CE1-CD1 3.72Å; Y413-F459 HydrophobicContact CE1-CD1 3.72Å; Y413-F459 AromaticContact CE1-CE1 3.53Å; Y413-F459 HydrophobicContact CE1-CE1 3.53Å; D420-F459 HydrophobicContact CB-CZ 4.41Å; L423-F459 HydrophobicContact CD2-CD1 3.83Å; L423-F459 HydrophobicContact CD2-CE1 4.23Å; R433-F459 PolarHBondContact NH2-O 3.37Å; E443-F459 HydrophobicContact CG-CB 4.45Å; E443-F459 PolarHBondContact O-N 2.91Å; G444-F459 WeakPolarHBondContact CA-O 3.19Å; T457-F459 PolarHBondContact O-N 3.42Å; F459-G461 VanDerWaalsContact CE1-CA 3.45Å; F459-G461 VanDerWaalsContact CZ-CA 3.44Å | ||
| 460 | N | 90.4 | Very high | 77.1 | Confident | 62 Ų | 62 | 89.8 Ų | 89.8 | 33% | 0.332 | 47% | 0.47 | S | S | . | . | trans | -111.7 | 12.3 | -180 | -74.1 | 13.7 | 0 | 0 | 0 | 112.7 | L423 Y424 D427 R433 | L423-N460 CarbonylContact C-O 3.59Å; Y424-N460 WeakPolarHBondContact CA-O 3.28Å; Y424-N460 PolarHBondContact N-O 3.03Å; D427-N460 HydrophobicContact CB-CB 4.26Å; D427-N460 VanDerWaalsContact CG-ND2 3.26Å; D427-N460 PolarHBondContact OD1-ND2 3.05Å; D427-N460 PolarHBondContact OD2-ND2 2.89Å; R433-N460 PolarHBondContact NH2-OD1 2.78Å | ||
| 461 | G | 90.7 | Very high | 75 | Confident | 12 Ų | 12 | 92.3 Ų | 92.3 | 12% | 0.124 | 49% | 0.491 | C | S | . | . | trans | 85.6 | 177.4 | -169.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | D420 F459 | D420-G461 WeakPolarHBondContact O-CA 3.42Å; F459-G461 VanDerWaalsContact CE1-CA 3.45Å; F459-G461 VanDerWaalsContact CZ-CA 3.44Å | ||
| 462 | T | 89 | Confident | 73.2 | Confident | 66 Ų | 66 | 93.5 Ų | 93.5 | 41% | 0.405 | 50% | 0.498 | S | S | . | . | trans | -110 | 123.8 | -177.3 | -58 | 0 | 0 | 0 | 0 | 109 | D420 | D420-T462 PolarHBondContact O-N 2.93Å; D420-T462 PolarHBondContact OD2-OG1 3.46Å | ||
| 463 | P | 81.9 | Confident | 71.2 | Confident | 74 Ų | 74 | 90.7 Ų | 90.7 | 48% | 0.481 | 49% | 0.491 | S | S | . | . | trans | -65.5 | 153.5 | 175.5 | 28.2 | -34.7 | 0 | 0 | 0 | 111.1 | Y424 | Y424-P463 HydrophobicContact CD2-CB 4.04Å; Y424-P463 HydrophobicContact CE1-CB 4.22Å; Y424-P463 HydrophobicContact CE2-CB 3.69Å; Y424-P463 HydrophobicContact CG-CB 4.45Å | ||
| 464 | P | 77.9 | Confident | 69 | Low | 50 Ų | 50 | 86.6 Ų | 86.6 | 33% | 0.325 | 48% | 0.482 | S | S | . | . | trans | -62.5 | 158.2 | 167.6 | 29.5 | -34.1 | 0 | 0 | 0 | 110.6 | L421 V466 | L421-P464 HydrophobicContact CD1-CB 4.29Å; L421-P464 HydrophobicContact CD1-CG 4.37Å; P464-V466 HydrophobicContact CG-CG2 4.05Å; P464-V466 WeakPolarHBondContact O-CG2 3.3Å; P464-V466 PolarHBondContact O-N 2.97Å; P464-V466 VanDerWaalsContact O-N 3.15Å | ||
| 465 | E | 68.6 | Low | 67.2 | Low | 207 Ų | 207 | 83.1 Ų | 83.1 | 97% | 0.967 | 47% | 0.469 | S | S | * | . | trans | -67.9 | 110.7 | 169.9 | -67.7 | -170 | 132.1 | 0 | 0 | 109.8 | ||||
| 466 | V | 61 | Low | 65.4 | Low | 74 Ų | 74 | 77.4 Ų | 77.4 | 45% | 0.448 | 44% | 0.437 | S | S | . | . | trans | -112 | 136.5 | -179.5 | -164.8 | 0 | 0 | 0 | 0 | 110.7 | P464 | P464-V466 HydrophobicContact CG-CG2 4.05Å; P464-V466 WeakPolarHBondContact O-CG2 3.3Å; P464-V466 PolarHBondContact O-N 2.97Å; P464-V466 VanDerWaalsContact O-N 3.15Å | ||
| 467 | V | 49 | Very low | 63.5 | Low | 82 Ų | 82 | 76.7 Ų | 76.7 | 50% | 0.497 | 44% | 0.438 | S | S | . | . | trans | -68.7 | 121.5 | 168.4 | -176.2 | 0 | 0 | 0 | 0 | 108.6 | H469 | V467-H469 PolarHBondContact O-N 3.47Š| ||
| 468 | P | 44.8 | Very low | 61.9 | Low | 88 Ų | 88 | 75.4 Ų | 75.4 | 57% | 0.571 | 43% | 0.425 | S | S | * | . | trans | -75.8 | 118.4 | -163.5 | 27.1 | -35.2 | 0 | 0 | 0 | 114.2 | F470 | P468-F470 VanDerWaalsContact C-N 3.26Å; P468-F470 HydrophobicContact CB-CD2 3.91Å; P468-F470 HydrophobicContact CB-CE2 3.85Å; P468-F470 HydrophobicContact CG-CD2 3.96Å; P468-F470 HydrophobicContact CG-CE2 3.73Å; P468-F470 PolarHBondContact O-N 3.23Å | ||
| 469 | H | 50.2 | Low | 60 | Low | 54 Ų | 54 | 74.4 Ų | 74.4 | 25% | 0.25 | 42% | 0.417 | C | S | . | . | trans | -74.6 | 70.3 | 174.3 | -67.6 | -24.6 | 0 | 0 | 0 | 112.9 | V467 A471 D472 P1024 L1089 | V467-H469 PolarHBondContact O-N 3.47Å; H469-A471 PolarHBondContact O-N 3.29Å; H469-D472 HydrophobicContact CB-CB 4.49Å; H469-D472 PolarHBondContact O-N 3.05Å; H469-P1024 VanDerWaalsContact CE1-CA 3.43Å; H469-P1024 WeakPolarHBondContact CE1-CA 3.21Å; H469-P1024 VanDerWaalsContact CE1-CB 3.45Å; H469-P1024 WeakPolarHBondContact CE1-CB 3.19Å; H469-L1089 PolarHBondContact NE2-O 2.8Å; H469-L1089 VanDerWaalsContact NE2-O 3.1Å | ||
| 470 | F | 37.2 | Very low | 58 | Low | 184 Ų | 184 | 78.1 Ų | 78.1 | 81% | 0.807 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -16.6 | 178.8 | -90.8 | -82.5 | 0 | 0 | 0 | 115.4 | P468 | P468-F470 VanDerWaalsContact C-N 3.26Å; P468-F470 HydrophobicContact CB-CD2 3.91Å; P468-F470 HydrophobicContact CB-CE2 3.85Å; P468-F470 HydrophobicContact CG-CD2 3.96Å; P468-F470 HydrophobicContact CG-CE2 3.73Å; P468-F470 PolarHBondContact O-N 3.23Å |
| 471 | A | 43.7 | Very low | 55.8 | Low | 70 Ų | 70 | 80.1 Ų | 80.1 | 58% | 0.579 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -29.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | H469 R475 | H469-A471 PolarHBondContact O-N 3.29Å; A471-R475 PolarHBondContact O-N 3.06Å |
| 472 | D | 49.2 | Very low | 53.6 | Low | 25 Ų | 25 | 84.5 Ų | 84.5 | 13% | 0.134 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -77.7 | -41.6 | -161.7 | -92.7 | -5 | 0 | 0 | 0 | 114.1 | H469 A474 R475 E476 R1022 P1088 | H469-D472 HydrophobicContact CB-CB 4.49Å; H469-D472 PolarHBondContact O-N 3.05Å; D472-A474 PolarHBondContact O-N 2.8Å; D472-R475 PolarHBondContact O-N 3.37Å; D472-E476 WeakPolarHBondContact O-CG 3.2Å; D472-E476 PolarHBondContact O-N 3.39Å; D472-R1022 VanDerWaalsContact CG-NH1 3.27Å; D472-R1022 IonicContact OD1-CZ 3.75Å; D472-R1022 IonicContact OD1-NH1 2.78Å; D472-R1022 PolarHBondContact OD1-NH1 2.89Å; D472-R1022 IonicContact OD1-NH2 3.7Å; D472-R1022 IonicContact OD2-CZ 3.76Å; D472-R1022 IonicContact OD2-NH1 3.21Å; D472-R1022 PolarHBondContact OD2-NH1 3.18Å; D472-R1022 VanDerWaalsContact OD2-NH1 3.1Å; D472-R1022 IonicContact OD2-NH2 3.59Å; D472-R1022 PolarHBondContact OD2-NH2 2.97Å; D472-P1088 WeakPolarHBondContact OD2-CB 3.36Å |
| 473 | V | 45.5 | Very low | 51.6 | Low | 95 Ų | 95 | 84 Ų | 84 | 58% | 0.576 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -55.5 | -40.5 | 178.7 | -176 | 0 | 0 | 0 | 0 | 110.8 | S477 | V473-S477 PolarHBondContact O-N 3.43Å; V473-S477 PolarHBondContact O-OG 3.14Å |
| 474 | A | 41.7 | Very low | 49.5 | Very low | 59 Ų | 59 | 84.6 Ų | 84.6 | 49% | 0.488 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -69.2 | -36.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | D472 I478 | D472-A474 PolarHBondContact O-N 2.8Å; A474-I478 WeakPolarHBondContact O-CD1 3.39Å; A474-I478 VanDerWaalsContact O-CG1 3.27Å; A474-I478 WeakPolarHBondContact O-CG1 3.36Å; A474-I478 PolarHBondContact O-N 2.88Å |
| 475 | R | 50.2 | Low | 47.6 | Very low | 78 Ų | 78 | 86.5 Ų | 86.5 | 29% | 0.294 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -73.1 | -38.7 | -179.3 | -151.4 | -175.2 | 85 | 96.7 | 15.6 | 111.8 | A471 D472 I478 E479 | A471-R475 PolarHBondContact O-N 3.06Å; D472-R475 PolarHBondContact O-N 3.37Å; R475-I478 PolarHBondContact O-N 3.34Å; R475-E479 IonicContact CZ-OE1 2.72Å; R475-E479 VanDerWaalsContact CZ-OE1 3.3Å; R475-E479 IonicContact NH1-OE1 2.67Å; R475-E479 IonicContact NH2-OE1 3.67Å; R475-E479 PolarHBondContact NH2-OE1 3.49Å; R475-E479 PolarHBondContact O-N 2.87Å |
| 476 | E | 51.7 | Low | 46.2 | Very low | 32 Ų | 32 | 80.4 Ų | 80.4 | 15% | 0.15 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -64.2 | -45.7 | 176.1 | -69.4 | 170.3 | 141 | 0 | 0 | 111.2 | D472 I478 E479 E480 R1116 | D472-E476 WeakPolarHBondContact O-CG 3.2Å; D472-E476 PolarHBondContact O-N 3.39Å; E476-I478 PolarHBondContact O-N 3.09Å; E476-E479 PolarHBondContact O-N 3.36Å; E476-E480 WeakPolarHBondContact O-CB 3.2Å; E476-E480 PolarHBondContact O-N 2.79Å; E476-R1116 VanDerWaalsContact CD-NH1 3.28Å; E476-R1116 IonicContact OE1-CZ 3.97Å; E476-R1116 IonicContact OE1-NH1 3.58Å; E476-R1116 PolarHBondContact OE1-NH1 3.28Å; E476-R1116 VanDerWaalsContact OE1-NH1 3.14Å; E476-R1116 IonicContact OE2-CZ 3.15Å; E476-R1116 IonicContact OE2-NH1 3.19Å; E476-R1116 PolarHBondContact OE2-NH1 3.36Å; E476-R1116 IonicContact OE2-NH2 2.71Å; E476-R1116 PolarHBondContact OE2-NH2 2.92Å |
| 477 | S | 45.9 | Very low | 44.9 | Very low | 52 Ų | 52 | 82.1 Ų | 82.1 | 36% | 0.364 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.6 | -31 | 173.5 | -62.8 | 0 | 0 | 0 | 0 | 113.4 | V473 I481 | V473-S477 PolarHBondContact O-N 3.43Å; V473-S477 PolarHBondContact O-OG 3.14Å; S477-I481 WeakPolarHBondContact O-CB 3.31Å; S477-I481 WeakPolarHBondContact O-CD1 3.38Å; S477-I481 WeakPolarHBondContact O-CG1 3.15Å; S477-I481 PolarHBondContact O-N 3.2Å |
| 478 | I | 51.6 | Low | 44.6 | Very low | 100 Ų | 100 | 85.4 Ų | 85.4 | 51% | 0.513 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -74.2 | -40.8 | 175.8 | -70.1 | 165.5 | 0 | 0 | 0 | 111.3 | A474 R475 E476 E480 I481 L482 | A474-I478 WeakPolarHBondContact O-CD1 3.39Å; A474-I478 VanDerWaalsContact O-CG1 3.27Å; A474-I478 WeakPolarHBondContact O-CG1 3.36Å; A474-I478 PolarHBondContact O-N 2.88Å; R475-I478 PolarHBondContact O-N 3.34Å; E476-I478 PolarHBondContact O-N 3.09Å; I478-E480 VanDerWaalsContact C-N 3.33Å; I478-I481 PolarHBondContact O-N 3.18Å; I478-L482 HydrophobicContact CG2-CD1 4.06Å; I478-L482 WeakPolarHBondContact O-CB 3.39Å; I478-L482 VanDerWaalsContact O-CG 3.29Å; I478-L482 WeakPolarHBondContact O-CG 3.46Å; I478-L482 PolarHBondContact O-N 2.9Å |
| 479 | E | 50 | Low | 44.3 | Very low | 41 Ų | 41 | 88.2 Ų | 88.2 | 19% | 0.192 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -63.4 | -39.4 | 172.6 | -75.2 | -171.3 | -173.5 | 0 | 0 | 112 | R475 E476 L482 L483 R1120 | R475-E479 IonicContact CZ-OE1 2.72Å; R475-E479 VanDerWaalsContact CZ-OE1 3.3Å; R475-E479 IonicContact NH1-OE1 2.67Å; R475-E479 IonicContact NH2-OE1 3.67Å; R475-E479 PolarHBondContact NH2-OE1 3.49Å; R475-E479 PolarHBondContact O-N 2.87Å; E476-E479 PolarHBondContact O-N 3.36Å; E479-L482 PolarHBondContact O-N 3.29Å; E479-L483 WeakPolarHBondContact O-CB 3.09Å; E479-L483 WeakPolarHBondContact O-CG 3.47Å; E479-L483 PolarHBondContact O-N 2.7Å; E479-R1120 IonicContact OE2-CZ 3.24Å; E479-R1120 VanDerWaalsContact OE2-CZ 3.24Å; E479-R1120 IonicContact OE2-NH1 2.78Å; E479-R1120 PolarHBondContact OE2-NH1 2.99Å; E479-R1120 IonicContact OE2-NH2 2.74Å; E479-R1120 PolarHBondContact OE2-NH2 3.33Å |
| 480 | E | 47.3 | Very low | 43.9 | Very low | 136 Ų | 136 | 89.4 Ų | 89.4 | 64% | 0.636 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.1 | -43.7 | 177 | -171.6 | 171.9 | -107.2 | 0 | 0 | 111.9 | E476 I478 L483 S484 | E476-E480 WeakPolarHBondContact O-CB 3.2Å; E476-E480 PolarHBondContact O-N 2.79Å; I478-E480 VanDerWaalsContact C-N 3.33Å; E480-L483 PolarHBondContact O-N 3.07Å; E480-S484 WeakPolarHBondContact O-CB 3.27Å; E480-S484 PolarHBondContact O-N 3.1Å |
| 481 | I | 44.1 | Very low | 44.4 | Very low | 103 Ų | 103 | 84.8 Ų | 84.8 | 53% | 0.528 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.4 | -48.1 | 170.6 | -72.5 | 164.4 | 0 | 0 | 0 | 110.7 | S477 I478 L483 S484 T485 | S477-I481 WeakPolarHBondContact O-CB 3.31Å; S477-I481 WeakPolarHBondContact O-CD1 3.38Å; S477-I481 WeakPolarHBondContact O-CG1 3.15Å; S477-I481 PolarHBondContact O-N 3.2Å; I478-I481 PolarHBondContact O-N 3.18Å; I481-L483 PolarHBondContact O-N 2.55Å; I481-S484 PolarHBondContact O-N 2.79Å; I481-S484 PolarHBondContact O-OG 3.25Å; I481-T485 PolarHBondContact O-N 2.94Å |
| 482 | L | 46.5 | Very low | 44.6 | Very low | 104 Ų | 104 | 84 Ų | 84 | 55% | 0.545 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.7 | -44.8 | -179.6 | -73.7 | 167 | 0 | 0 | 0 | 111.9 | I478 E479 S484 T485 T486 | I478-L482 HydrophobicContact CG2-CD1 4.06Å; I478-L482 WeakPolarHBondContact O-CB 3.39Å; I478-L482 VanDerWaalsContact O-CG 3.29Å; I478-L482 WeakPolarHBondContact O-CG 3.46Å; I478-L482 PolarHBondContact O-N 2.9Å; E479-L482 PolarHBondContact O-N 3.29Å; L482-S484 VanDerWaalsContact C-N 3.34Å; L482-S484 PolarHBondContact O-N 3.32Å; L482-T485 PolarHBondContact O-N 3.42Å; L482-T485 VanDerWaalsContact O-N 3.11Å; L482-T485 PolarHBondContact O-OG1 3.28Å; L482-T486 PolarHBondContact O-N 2.84Å |
| 483 | L | 45.9 | Very low | 44.7 | Very low | 56 Ų | 56 | 86 Ų | 86 | 29% | 0.293 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.4 | -41.5 | 174.2 | -74.8 | 164.8 | 0 | 0 | 0 | 111.7 | E479 E480 I481 T485 T486 | E479-L483 WeakPolarHBondContact O-CB 3.09Å; E479-L483 WeakPolarHBondContact O-CG 3.47Å; E479-L483 PolarHBondContact O-N 2.7Å; E480-L483 PolarHBondContact O-N 3.07Å; I481-L483 PolarHBondContact O-N 2.55Å; L483-T485 PolarHBondContact O-N 2.98Å; L483-T486 WeakPolarHBondContact CA-OG1 3.43Å; L483-T486 PolarHBondContact O-N 3.32Å; L483-T486 PolarHBondContact O-OG1 3.4Å |
| 484 | S | 38.7 | Very low | 45.2 | Very low | 87 Ų | 87 | 86.1 Ų | 86.1 | 61% | 0.608 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -64.1 | -27.8 | 175.6 | 80.3 | 0 | 0 | 0 | 0 | 113.4 | E480 I481 L482 | E480-S484 WeakPolarHBondContact O-CB 3.27Å; E480-S484 PolarHBondContact O-N 3.1Å; I481-S484 PolarHBondContact O-N 2.79Å; I481-S484 PolarHBondContact O-OG 3.25Å; L482-S484 VanDerWaalsContact C-N 3.34Å; L482-S484 PolarHBondContact O-N 3.32Å |
| 485 | T | 37.3 | Very low | 45.7 | Very low | 90 Ų | 90 | 84 Ų | 84 | 55% | 0.552 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -81.6 | -12.2 | 173.6 | 59.3 | 0 | 0 | 0 | 0 | 114.1 | I481 L482 L483 S487 | I481-T485 PolarHBondContact O-N 2.94Å; L482-T485 PolarHBondContact O-N 3.42Å; L482-T485 VanDerWaalsContact O-N 3.11Å; L482-T485 PolarHBondContact O-OG1 3.28Å; L483-T485 PolarHBondContact O-N 2.98Å; T485-S487 PolarHBondContact O-N 3.41Å; T485-S487 VanDerWaalsContact O-N 3.15Å |
| 486 | T | 40 | Very low | 45.9 | Very low | 78 Ų | 78 | 83.3 Ų | 83.3 | 48% | 0.479 | 46% | 0.458 | S | S | . | . | trans | -85.9 | 42.7 | 175.9 | 51.5 | 0 | 0 | 0 | 0 | 113.6 | L482 L483 F488 | L482-T486 PolarHBondContact O-N 2.84Å; L483-T486 WeakPolarHBondContact CA-OG1 3.43Å; L483-T486 PolarHBondContact O-N 3.32Å; L483-T486 PolarHBondContact O-OG1 3.4Å; T486-F488 VanDerWaalsContact C-N 3.32Å; T486-F488 HydrophobicContact CG2-CD2 4.32Å; T486-F488 HydrophobicContact CG2-CE2 4.14Å; T486-F488 PolarHBondContact O-N 3.09Å | ||
| 487 | S | 33.2 | Very low | 45.9 | Very low | 110 Ų | 110 | 84 Ų | 84 | 77% | 0.769 | 47% | 0.467 | S | S | * | . | trans | -72.1 | 83.5 | 169.1 | 61.6 | 0 | 0 | 0 | 0 | 110.4 | T485 | T485-S487 PolarHBondContact O-N 3.41Å; T485-S487 VanDerWaalsContact O-N 3.15Å | ||
| 488 | F | 42.7 | Very low | 46.2 | Very low | 151 Ų | 151 | 85.3 Ų | 85.3 | 66% | 0.662 | 47% | 0.467 | S | S | * | . | trans | -112.7 | 126.3 | -174.4 | -83.6 | -78.5 | 0 | 0 | 0 | 113.7 | T486 F490 | T486-F488 VanDerWaalsContact C-N 3.32Å; T486-F488 HydrophobicContact CG2-CD2 4.32Å; T486-F488 HydrophobicContact CG2-CE2 4.14Å; T486-F488 PolarHBondContact O-N 3.09Å; F488-F490 PolarHBondContact O-N 2.94Å | ||
| 489 | D | 38 | Very low | 46.1 | Very low | 147 Ų | 147 | 81.2 Ų | 81.2 | 79% | 0.786 | 45% | 0.446 | S | S | * | . | trans | -61.9 | 102.5 | 156 | -69.7 | -53.3 | 0 | 0 | 0 | 109.1 | N491 | D489-N491 PolarHBondContact O-N 3.08Š| ||
| 490 | F | 40.9 | Very low | 46 | Very low | 80 Ų | 80 | 82.2 Ų | 82.2 | 35% | 0.351 | 46% | 0.455 | S | S | . | . | trans | -66.8 | 99.8 | -178.2 | -176.3 | -94.6 | 0 | 0 | 0 | 111 | F488 P492 N726 | F488-F490 PolarHBondContact O-N 2.94Å; F490-P492 HydrophobicContact CD1-CG 4.31Å; F490-P492 HydrophobicContact CE1-CG 3.83Å; F490-N726 HydrophobicContact CD1-CB 4.36Å; F490-N726 HydrophobicContact CE1-CB 3.69Å; F490-N726 WeakPolarHBondContact CE1-O 3.41Å; F490-N726 HydrophobicContact CZ-CB 4.17Å; F490-N726 WeakPolarHBondContact CZ-O 3.15Å | ||
| 491 | N | 49 | Very low | 45.9 | Very low | 86 Ų | 86 | 82 Ų | 82 | 46% | 0.46 | 45% | 0.454 | S | S | . | . | trans | -117.8 | 103.8 | -179.2 | -171.2 | -19.7 | 0 | 0 | 0 | 111.6 | D489 S493 Q494 | D489-N491 PolarHBondContact O-N 3.08Å; N491-S493 VanDerWaalsContact CG-OG 3.24Å; N491-S493 PolarHBondContact ND2-OG 3.41Å; N491-S493 PolarHBondContact O-N 3.42Å; N491-S493 WeakPolarHBondContact OD1-CB 3.46Å; N491-S493 PolarHBondContact OD1-N 3.04Å; N491-S493 VanDerWaalsContact OD1-N 3.12Å; N491-S493 PolarHBondContact OD1-OG 2.87Å; N491-Q494 PolarHBondContact O-N 3.36Å | ||
| 492 | P | 48.2 | Very low | 45.7 | Very low | 53 Ų | 53 | 80.4 Ų | 80.4 | 34% | 0.344 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -55.4 | -18.9 | -179.7 | -29.4 | 36.1 | 0 | 0 | 0 | 115.9 | F490 Q494 T496 | F490-P492 HydrophobicContact CD1-CG 4.31Å; F490-P492 HydrophobicContact CE1-CG 3.83Å; P492-Q494 VanDerWaalsContact C-N 3.32Å; P492-T496 PolarHBondContact O-N 2.88Å; P492-T496 PolarHBondContact O-OG1 3.32Å |
| 493 | S | 50.7 | Low | 45.4 | Very low | 67 Ų | 67 | 78.5 Ų | 78.5 | 47% | 0.469 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -68.5 | -28.3 | 174 | 68 | 0 | 0 | 0 | 0 | 113.1 | N491 T496 S497 | N491-S493 VanDerWaalsContact CG-OG 3.24Å; N491-S493 PolarHBondContact ND2-OG 3.41Å; N491-S493 PolarHBondContact O-N 3.42Å; N491-S493 WeakPolarHBondContact OD1-CB 3.46Å; N491-S493 PolarHBondContact OD1-N 3.04Å; N491-S493 VanDerWaalsContact OD1-N 3.12Å; N491-S493 PolarHBondContact OD1-OG 2.87Å; S493-T496 PolarHBondContact O-N 3.11Å; S493-S497 WeakPolarHBondContact O-CB 3.27Å; S493-S497 PolarHBondContact O-N 2.89Å; S493-S497 PolarHBondContact O-OG 3.17Å |
| 494 | Q | 54.7 | Low | 45 | Very low | 99 Ų | 99 | 78.3 Ų | 78.3 | 46% | 0.463 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -66.7 | -51.2 | 177.8 | -76.2 | -163.7 | -0.5 | 0 | 0 | 111.9 | N491 P492 T496 S497 Q498 | N491-Q494 PolarHBondContact O-N 3.36Å; P492-Q494 VanDerWaalsContact C-N 3.32Å; Q494-T496 PolarHBondContact O-N 2.86Å; Q494-S497 WeakPolarHBondContact CA-OG 3.2Å; Q494-S497 PolarHBondContact O-N 3.38Å; Q494-S497 PolarHBondContact O-OG 3.4Å; Q494-Q498 WeakPolarHBondContact O-CG 3.35Å; Q494-Q498 PolarHBondContact O-N 3.15Å |
| 495 | Q | 53.5 | Low | 44.9 | Very low | 14 Ų | 14 | 80.9 Ų | 80.9 | 7% | 0.065 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -51.1 | -47.2 | 173.1 | -86.7 | -177.7 | 17.7 | 0 | 0 | 111 | S497 Q498 M499 I1012 L1078 | Q495-S497 VanDerWaalsContact C-N 3.35Å; Q495-S497 PolarHBondContact O-N 3.22Å; Q495-Q498 PolarHBondContact O-N 3.41Å; Q495-M499 WeakPolarHBondContact O-CB 3.35Å; Q495-M499 WeakPolarHBondContact O-CG 3.47Å; Q495-M499 PolarHBondContact O-N 2.92Å; Q495-M499 VanDerWaalsContact O-N 3.08Å; Q495-I1012 PolarHBondContact NE2-O 3.4Å; Q495-L1078 WeakPolarHBondContact CG-O 2.98Å; Q495-L1078 PolarHBondContact NE2-O 2.96Å |
| 496 | T | 54.5 | Low | 44.8 | Very low | 63 Ų | 63 | 83.3 Ų | 83.3 | 39% | 0.387 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.9 | -40.1 | 179.5 | -53.4 | 0 | 0 | 0 | 0 | 112.1 | P492 S493 Q494 T500 | P492-T496 PolarHBondContact O-N 2.88Å; P492-T496 PolarHBondContact O-OG1 3.32Å; S493-T496 PolarHBondContact O-N 3.11Å; Q494-T496 PolarHBondContact O-N 2.86Å; T496-T500 PolarHBondContact O-N 3.14Å; T496-T500 PolarHBondContact O-OG1 3.36Å |
| 497 | S | 52 | Low | 44.6 | Very low | 48 Ų | 48 | 84 Ų | 84 | 34% | 0.336 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -74.7 | -38.8 | 178 | 67.8 | 0 | 0 | 0 | 0 | 113.8 | S493 Q494 Q495 T500 Q501 | S493-S497 WeakPolarHBondContact O-CB 3.27Å; S493-S497 PolarHBondContact O-N 2.89Å; S493-S497 PolarHBondContact O-OG 3.17Å; Q494-S497 WeakPolarHBondContact CA-OG 3.2Å; Q494-S497 PolarHBondContact O-N 3.38Å; Q494-S497 PolarHBondContact O-OG 3.4Å; Q495-S497 VanDerWaalsContact C-N 3.35Å; Q495-S497 PolarHBondContact O-N 3.22Å; S497-T500 WeakPolarHBondContact CA-OG1 3.46Å; S497-T500 PolarHBondContact O-N 3.31Å; S497-T500 PolarHBondContact O-OG1 3.38Å; S497-Q501 WeakPolarHBondContact O-CG 3.49Å; S497-Q501 PolarHBondContact O-N 2.96Å |
| 498 | Q | 51.5 | Low | 44.7 | Very low | 79 Ų | 79 | 84.2 Ų | 84.2 | 37% | 0.369 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -68.5 | -42.6 | -179.4 | -73.1 | 173.6 | -5.7 | 0 | 0 | 110.5 | Q494 Q495 T500 Q501 S502 | Q494-Q498 WeakPolarHBondContact O-CG 3.35Å; Q494-Q498 PolarHBondContact O-N 3.15Å; Q495-Q498 PolarHBondContact O-N 3.41Å; Q498-T500 PolarHBondContact O-N 3.34Å; Q498-Q501 PolarHBondContact O-N 3.38Å; Q498-S502 PolarHBondContact O-N 3.04Å; Q498-S502 PolarHBondContact O-OG 3.35Å |
| 499 | M | 49.3 | Very low | 44.2 | Very low | 13 Ų | 13 | 83.4 Ų | 83.4 | 6% | 0.064 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -69.5 | -5.8 | 174.2 | -68 | -169.4 | 174.3 | 0 | 0 | 115.1 | Q495 Q999 R1003 L1078 | Q495-M499 WeakPolarHBondContact O-CB 3.35Å; Q495-M499 WeakPolarHBondContact O-CG 3.47Å; Q495-M499 PolarHBondContact O-N 2.92Å; Q495-M499 VanDerWaalsContact O-N 3.08Å; M499-Q999 VanDerWaalsContact CE-OE1 3.3Å; M499-Q999 PolarHBondContact SD-OE1 2.84Å; M499-Q999 VanDerWaalsContact SD-OE1 3.38Å; M499-R1003 PolarHBondContact O-NH1 3.35Å; M499-R1003 VanDerWaalsContact O-NH1 3.12Å; M499-R1003 PolarHBondContact SD-NH2 3.27Å; M499-R1003 VanDerWaalsContact SD-NH2 3.37Å; M499-L1078 HydrophobicContact CE-CD1 4.3Å; M499-L1078 HydrophobicContact CE-CD2 3.66Å; M499-L1078 HydrophobicContact CG-CD2 4.37Å |
| 500 | T | 49.1 | Very low | 43.9 | Very low | 63 Ų | 63 | 83.4 Ų | 83.4 | 39% | 0.387 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -104.5 | -32.9 | 170 | 40.2 | 0 | 0 | 0 | 0 | 112 | T496 S497 Q498 Q503 A504 | T496-T500 PolarHBondContact O-N 3.14Å; T496-T500 PolarHBondContact O-OG1 3.36Å; S497-T500 WeakPolarHBondContact CA-OG1 3.46Å; S497-T500 PolarHBondContact O-N 3.31Å; S497-T500 PolarHBondContact O-OG1 3.38Å; Q498-T500 PolarHBondContact O-N 3.34Å; T500-Q503 PolarHBondContact O-N 3.06Å; T500-A504 PolarHBondContact O-N 2.85Å |
| 501 | Q | 44.9 | Very low | 43.4 | Very low | 132 Ų | 132 | 83.7 Ų | 83.7 | 62% | 0.617 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -66.4 | -39.9 | 171.8 | -75.7 | -178.3 | -9.4 | 0 | 0 | 113.1 | S497 Q498 Q503 A504 M505 | S497-Q501 WeakPolarHBondContact O-CG 3.49Å; S497-Q501 PolarHBondContact O-N 2.96Å; Q498-Q501 PolarHBondContact O-N 3.38Å; Q501-Q503 PolarHBondContact O-N 3.45Å; Q501-A504 WeakPolarHBondContact O-CB 3.32Å; Q501-A504 PolarHBondContact O-N 3.27Å; Q501-M505 PolarHBondContact O-N 3.47Å |
| 502 | S | 39 | Very low | 42.5 | Very low | 69 Ų | 69 | 87.1 Ų | 87.1 | 48% | 0.483 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.7 | -32.4 | 176.4 | 60.6 | 0 | 0 | 0 | 0 | 112.7 | Q498 | Q498-S502 PolarHBondContact O-N 3.04Å; Q498-S502 PolarHBondContact O-OG 3.35Å |
| 503 | Q | 40.9 | Very low | 41.4 | Very low | 63 Ų | 63 | 88.4 Ų | 88.4 | 29% | 0.294 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -80.5 | -21.5 | 172.5 | -62.6 | -168 | -48.4 | 0 | 0 | 112.9 | T500 Q501 N507 | T500-Q503 PolarHBondContact O-N 3.06Å; Q501-Q503 PolarHBondContact O-N 3.45Å; Q503-N507 PolarHBondContact O-ND2 3.06Å |
| 504 | A | 37.5 | Very low | 40.4 | Very low | 53 Ų | 53 | 94.1 Ų | 94.1 | 44% | 0.438 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -70.3 | -38.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T500 Q501 N507 | T500-A504 PolarHBondContact O-N 2.85Å; Q501-A504 WeakPolarHBondContact O-CB 3.32Å; Q501-A504 PolarHBondContact O-N 3.27Å; A504-N507 PolarHBondContact O-N 2.78Å |
| 505 | M | 35.6 | Very low | 39 | Very low | 141 Ų | 141 | 96.7 Ų | 96.7 | 70% | 0.695 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -59.7 | -48.3 | 174.6 | -79.9 | -178 | 156 | 0 | 0 | 112.1 | Q501 N507 N508 | Q501-M505 PolarHBondContact O-N 3.47Å; M505-N507 PolarHBondContact O-N 3.37Å; M505-N508 PolarHBondContact O-N 2.97Å |
| 506 | F | 34.8 | Very low | 37.8 | Very low | 141 Ų | 141 | 101.7 Ų | 101.7 | 62% | 0.618 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -60.4 | -16.9 | 177.8 | -90.3 | -76.9 | 0 | 0 | 0 | 115.1 | ||
| 507 | N | 36.3 | Very low | 36.5 | Very low | 92 Ų | 92 | 106.8 Ų | 106.8 | 49% | 0.492 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -83.8 | -16.4 | 174.7 | -78.4 | -76.7 | 0 | 0 | 0 | 113.5 | Q503 A504 M505 | Q503-N507 PolarHBondContact O-ND2 3.06Å; A504-N507 PolarHBondContact O-N 2.78Å; M505-N507 PolarHBondContact O-N 3.37Å |
| 508 | N | 35.1 | Very low | 35.4 | Very low | 114 Ų | 114 | 110.1 Ų | 110.1 | 61% | 0.61 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -87.7 | -37.3 | 179.5 | -74.4 | -13.5 | 0 | 0 | 0 | 112.5 | M505 L510 S511 | M505-N508 PolarHBondContact O-N 2.97Å; N508-L510 PolarHBondContact O-N 2.68Å; N508-S511 PolarHBondContact O-N 3.1Å; N508-S511 VanDerWaalsContact O-N 3.13Å; N508-S511 PolarHBondContact O-OG 2.58Å |
| 509 | D | 33.3 | Very low | 34 | Very low | 135 Ų | 135 | 117.6 Ų | 117.6 | 72% | 0.722 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -72.3 | -7.9 | -175.2 | -66.8 | -30.7 | 0 | 0 | 0 | 114.3 | S511 | D509-S511 VanDerWaalsContact C-N 3.26Å; D509-S511 PolarHBondContact O-N 3.12Å |
| 510 | L | 31.4 | Very low | 32.9 | Very low | 147 Ų | 147 | 122.2 Ų | 122.2 | 77% | 0.77 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -84.8 | 6.4 | 171.1 | -84.2 | 163.3 | 0 | 0 | 0 | 113.5 | N508 | N508-L510 PolarHBondContact O-N 2.68Š|
| 511 | S | 30.5 | Very low | 31.7 | Very low | 85 Ų | 85 | 124.6 Ų | 124.6 | 59% | 0.594 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -131.4 | 29.1 | -175.4 | 67.9 | 0 | 0 | 0 | 0 | 115.7 | N508 D509 | N508-S511 PolarHBondContact O-N 3.1Å; N508-S511 VanDerWaalsContact O-N 3.13Å; N508-S511 PolarHBondContact O-OG 2.58Å; D509-S511 VanDerWaalsContact C-N 3.26Å; D509-S511 PolarHBondContact O-N 3.12Å |
| 512 | N | 29.1 | Very low | 30.9 | Very low | 158 Ų | 158 | 127.4 Ų | 127.4 | 85% | 0.845 | 71% | 0.706 | S | S | * | * | trans | -152.6 | 107.2 | 161.4 | -99.3 | -41.3 | 0 | 0 | 0 | 112.3 | ||||
| 513 | G | 24.8 | Very low | 30.2 | Very low | 81 Ų | 81 | 129.1 Ų | 129.1 | 84% | 0.835 | 72% | 0.718 | S | S | * | * | trans | -94 | 94.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 514 | M | 29.6 | Very low | 29.6 | Very low | 186 Ų | 186 | 135.3 Ų | 135.3 | 92% | 0.916 | 75% | 0.747 | S | S | * | * | trans | -147.7 | 130.1 | 153.7 | -88.6 | -146.4 | 152.7 | 0 | 0 | 111.9 | ||||
| 515 | I | 25.5 | Very low | 29 | Very low | 153 Ų | 153 | 139.9 Ų | 139.9 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | trans | -98.1 | 142.3 | 169.9 | -44.2 | 173.1 | 0 | 0 | 0 | 106.7 | ||||
| 516 | P | 29 | Very low | 28.7 | Very low | 119 Ų | 119 | 142.6 Ų | 142.6 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | -137.6 | 149.6 | 118.5 | 33.9 | -21.4 | 0 | 0 | 0 | 114.5 | |||||
| 517 | H | 26.3 | Very low | 28.3 | Very low | 171 Ų | 171 | 142 Ų | 142 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | trans | -48.5 | 142.2 | 177.8 | -53.4 | -98.8 | 0 | 0 | 0 | 115.1 | ||||
| 518 | S | 29.6 | Very low | 27.9 | Very low | 117 Ų | 117 | 142.7 Ų | 142.7 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | -179.2 | 146.7 | 93.4 | 43.1 | 0 | 0 | 0 | 0 | 113 | |||||
| 519 | Y | 22.9 | Very low | 27.5 | Very low | 236 Ų | 236 | 145 Ų | 145 | 93% | 0.925 | 80% | 0.798 | S | S | * | * | trans | -101.2 | 134.4 | 160.5 | -95 | -95.5 | 0 | 0 | 0 | 108 | ||||
| 520 | S | 26.1 | Very low | 27.2 | Very low | 110 Ų | 110 | 146 Ų | 146 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | trans | -155.1 | 124.2 | 157.4 | -173.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 521 | C | 23.1 | Very low | 27.1 | Very low | 114 Ų | 114 | 145.5 Ų | 145.5 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | trans | -111 | 115.4 | 164.9 | -70 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 522 | H | 27.4 | Very low | 27 | Very low | 190 Ų | 190 | 149.1 Ų | 149.1 | 88% | 0.88 | 81% | 0.806 | S | S | * | * | trans | -153.4 | 146.8 | 147.9 | -102.9 | -68.3 | 0 | 0 | 0 | 110.3 | ||||
| 523 | S | 25.2 | Very low | 26.9 | Very low | 105 Ų | 105 | 148.6 Ų | 148.6 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | trans | -84 | 145.8 | 179.7 | 52.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 524 | E | 27.7 | Very low | 27 | Very low | 194 Ų | 194 | 154.1 Ų | 154.1 | 91% | 0.907 | 80% | 0.803 | S | S | * | * | trans | -149.9 | 157.6 | 140.1 | -131.1 | 164.2 | -141.7 | 0 | 0 | 111.8 | ||||
| 525 | N | 25 | Very low | 26.7 | Very low | 149 Ų | 149 | 154 Ų | 154 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | -86.4 | 146.3 | -172.7 | -62.7 | -69.7 | 0 | 0 | 0 | 111.3 | ||||
| 526 | H | 28.9 | Very low | 26.8 | Very low | 197 Ų | 197 | 158.2 Ų | 158.2 | 91% | 0.912 | 81% | 0.806 | S | S | * | * | trans | -135 | 108.8 | 149.8 | -109 | -69.9 | 0 | 0 | 0 | 110.7 | ||||
| 527 | D | 26.9 | Very low | 26.6 | Very low | 130 Ų | 130 | 160.5 Ų | 160.5 | 70% | 0.695 | 81% | 0.812 | S | S | * | * | trans | -91.2 | 173.5 | 172.9 | -166.4 | 2.7 | 0 | 0 | 0 | 109.9 | ||||
| 528 | V | 28.8 | Very low | 26.7 | Very low | 105 Ų | 105 | 157.7 Ų | 157.7 | 64% | 0.636 | 81% | 0.812 | S | S | * | * | trans | 73.3 | 97.1 | 172.9 | -165.6 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 529 | N | 27.2 | Very low | 26.4 | Very low | 164 Ų | 164 | 164.1 Ų | 164.1 | 88% | 0.877 | 82% | 0.818 | S | S | * | * | -133.8 | 91 | 119.1 | -156 | -13.8 | 0 | 0 | 0 | 111.1 | |||||
| 530 | K | 27.2 | Very low | 26.7 | Very low | 154 Ų | 154 | 161.8 Ų | 161.8 | 67% | 0.67 | 81% | 0.812 | S | S | * | * | trans | -90.4 | 114.6 | 174.5 | -72.6 | 175.7 | -179.8 | 167.3 | 0 | 109.3 | ||||
| 531 | N | 29.2 | Very low | 26.6 | Very low | 137 Ų | 137 | 163.2 Ų | 163.2 | 73% | 0.733 | 81% | 0.811 | S | S | * | * | 168.1 | 115.2 | 125.7 | -86.4 | -28.6 | 0 | 0 | 0 | 112.6 | |||||
| 532 | N | 28.1 | Very low | 26.7 | Very low | 161 Ų | 161 | 166 Ų | 166 | 86% | 0.861 | 82% | 0.817 | S | S | * | * | trans | -158.9 | 98 | 133.4 | -114.9 | -50.8 | 0 | 0 | 0 | 110.6 | K534 | N532-K534 PolarHBondContact O-N 3.41Š| ||
| 533 | I | 25.7 | Very low | 26.6 | Very low | 147 Ų | 147 | 162.2 Ų | 162.2 | 75% | 0.754 | 81% | 0.812 | S | S | * | * | trans | -82.6 | 110.1 | 178 | -61.7 | 169.9 | 0 | 0 | 0 | 108.6 | ||||
| 534 | K | 28.5 | Very low | 26.6 | Very low | 198 Ų | 198 | 166.9 Ų | 166.9 | 86% | 0.861 | 82% | 0.819 | S | S | * | * | trans | -132.9 | 118.8 | 153.8 | -78.1 | -166.8 | 174.9 | 177.3 | 0 | 110.6 | N532 | N532-K534 PolarHBondContact O-N 3.41Š| ||
| 535 | Q | 23.6 | Very low | 26.4 | Very low | 182 Ų | 182 | 166.1 Ų | 166.1 | 85% | 0.85 | 82% | 0.82 | S | S | * | * | trans | -59.6 | 138.4 | 173.4 | -62.5 | 164.4 | -20.8 | 0 | 0 | 110.1 | ||||
| 536 | R | 27.2 | Very low | 26.3 | Very low | 243 Ų | 243 | 168 Ų | 168 | 92% | 0.917 | 82% | 0.824 | S | S | * | * | trans | -143.6 | 111 | 157.6 | -128.8 | 175 | -175.1 | 170.4 | 1.3 | 110.8 | S538 | R536-S538 PolarHBondContact O-N 3.26Š| ||
| 537 | N | 23.9 | Very low | 26.1 | Very low | 167 Ų | 167 | 170.4 Ų | 170.4 | 89% | 0.893 | 83% | 0.825 | S | S | * | * | trans | -72.1 | 121.8 | 174 | -73.2 | -41.8 | 0 | 0 | 0 | 110 | ||||
| 538 | S | 29 | Very low | 26 | Very low | 112 Ų | 112 | 175.9 Ų | 175.9 | 78% | 0.783 | 84% | 0.836 | S | S | * | * | trans | -145.1 | 58.6 | 165.9 | 62.9 | 0 | 0 | 0 | 0 | 112.1 | R536 K540 | R536-S538 PolarHBondContact O-N 3.26Å; S538-K540 PolarHBondContact O-N 2.84Å | ||
| 539 | R | 23.3 | Very low | 25.8 | Very low | 252 Ų | 252 | 180.8 Ų | 180.8 | 95% | 0.951 | 85% | 0.845 | S | S | * | * | trans | -61.6 | 111.4 | 157.7 | -81.7 | -178.6 | 170.6 | 171.3 | -3.8 | 108.3 | ||||
| 540 | K | 28 | Very low | 25.6 | Very low | 186 Ų | 186 | 177.8 Ų | 177.8 | 81% | 0.809 | 84% | 0.837 | S | S | * | * | trans | -160.1 | 137.3 | 162 | -110.8 | 170.8 | -174.9 | -179.6 | 0 | 111.6 | S538 | S538-K540 PolarHBondContact O-N 2.84Š| ||
| 541 | N | 25.7 | Very low | 25.7 | Very low | 140 Ų | 140 | 179.7 Ų | 179.7 | 75% | 0.749 | 85% | 0.847 | S | S | * | * | trans | 66.5 | 60.4 | 153.3 | -55.3 | 1.6 | 0 | 0 | 0 | 119.6 | ||||
| 542 | I | 25.2 | Very low | 25.4 | Very low | 173 Ų | 173 | 179.9 Ų | 179.9 | 89% | 0.887 | 85% | 0.847 | S | S | * | * | trans | -127.3 | 99.4 | 134.4 | -59.4 | -177.9 | 0 | 0 | 0 | 107.1 | ||||
| 543 | S | 24 | Very low | 25.4 | Very low | 111 Ų | 111 | 178.1 Ų | 178.1 | 78% | 0.776 | 84% | 0.844 | S | S | * | * | trans | 179.5 | 73.4 | 174.5 | 18.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 544 | K | 24.8 | Very low | 25.2 | Very low | 203 Ų | 203 | 179.9 Ų | 179.9 | 88% | 0.883 | 85% | 0.847 | S | S | * | * | trans | -150.8 | 77.7 | 171.8 | -90.6 | -163.2 | 172.7 | -173.7 | 0 | 110.9 | ||||
| 545 | L | 24.6 | Very low | 25 | Very low | 177 Ų | 177 | 179.7 Ų | 179.7 | 93% | 0.927 | 85% | 0.846 | S | S | * | * | S | Bend | trans | -167.3 | 62.1 | 158.3 | -111.6 | 162.6 | 0 | 0 | 0 | 110.5 | ||
| 546 | Q | 23.4 | Very low | 25.2 | Very low | 190 Ų | 190 | 177.6 Ų | 177.6 | 89% | 0.888 | 84% | 0.836 | S | S | * | * | trans | -162.2 | 154.2 | 166.7 | -109.9 | 171.8 | 7.1 | 0 | 0 | 108.2 | ||||
| 547 | R | 24.1 | Very low | 25 | Very low | 247 Ų | 247 | 173.8 Ų | 173.8 | 93% | 0.932 | 83% | 0.829 | S | S | * | * | trans | 69.9 | 93.3 | -172.6 | -53.4 | -179.5 | -179.6 | -175.8 | -1.8 | 115.9 | ||||
| 548 | R | 24.7 | Very low | 25.2 | Very low | 245 Ų | 245 | 174.3 Ų | 174.3 | 93% | 0.925 | 83% | 0.826 | S | S | * | * | trans | -134 | 101.5 | 136 | -86 | -167.6 | 175.5 | -177.9 | -0 | 109 | ||||
| 549 | Y | 24.2 | Very low | 25 | Very low | 207 Ų | 207 | 174.6 Ų | 174.6 | 81% | 0.812 | 82% | 0.823 | S | S | * | * | trans | -152.5 | 153.7 | 157.1 | -103.4 | -60 | 0 | 0 | 0 | 108.4 | ||||
| 550 | S | 23 | Very low | 25.1 | Very low | 102 Ų | 102 | 171 Ų | 171 | 71% | 0.713 | 82% | 0.817 | S | S | * | * | trans | 60.7 | 112.2 | -178.3 | 72.7 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 551 | H | 28.8 | Very low | 25.2 | Very low | 193 Ų | 193 | 166.5 Ų | 166.5 | 89% | 0.894 | 81% | 0.807 | S | S | * | * | trans | -153 | 105.3 | 133.1 | -108.1 | -61.1 | 0 | 0 | 0 | 109.9 | ||||
| 552 | I | 23.4 | Very low | 25 | Very low | 142 Ų | 142 | 167.1 Ų | 167.1 | 73% | 0.728 | 81% | 0.809 | S | S | * | * | trans | -91.6 | 138.4 | 171.8 | -63.1 | 164.1 | 0 | 0 | 0 | 108.8 | K554 | I552-K554 HydrophobicContact CG2-CG 4.12Š| ||
| 553 | P | 27.4 | Very low | 25.1 | Very low | 123 Ų | 123 | 165.9 Ų | 165.9 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | trans | -111.6 | 122.5 | 149.3 | 31 | -19.6 | 0 | 0 | 0 | 110.7 | ||||
| 554 | K | 21.9 | Very low | 25.1 | Very low | 185 Ų | 185 | 168.2 Ų | 168.2 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | -84.4 | 150 | 172.1 | -63 | 176.2 | 176.6 | 179.2 | 0 | 110.4 | I552 | I552-K554 HydrophobicContact CG2-CG 4.12Š| ||
| 555 | F | 25.7 | Very low | 25.2 | Very low | 193 Ų | 193 | 162.2 Ų | 162.2 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | trans | -151.8 | 157.6 | 147.2 | -106.9 | -69.3 | 0 | 0 | 0 | 112.5 | ||||
| 556 | H | 27 | Very low | 25.1 | Very low | 138 Ų | 138 | 160.7 Ų | 160.7 | 64% | 0.639 | 80% | 0.802 | S | S | * | * | trans | -25.9 | 132.3 | -172 | -65.6 | -58.4 | 0 | 0 | 0 | 118.6 | ||||
| 557 | Q | 23.3 | Very low | 25.2 | Very low | 164 Ų | 164 | 159.1 Ų | 159.1 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | 79.4 | 112 | 58.8 | -81.4 | -173.6 | -52.4 | 0 | 0 | 115.8 | |||||
| 558 | Q | 27 | Very low | 25.1 | Very low | 178 Ų | 178 | 153 Ų | 153 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | -178.5 | 116.1 | 132.2 | -100.5 | 171.5 | 12.9 | 0 | 0 | 108.5 | ||||
| 559 | T | 26.4 | Very low | 25.2 | Very low | 118 Ų | 118 | 149.3 Ų | 149.3 | 72% | 0.724 | 78% | 0.782 | S | S | * | * | 57.7 | 134.6 | 98.8 | 60.6 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 560 | E | 24.7 | Very low | 25 | Very low | 176 Ų | 176 | 146.6 Ų | 146.6 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | cis | -161.8 | -151.3 | -14.7 | -146.6 | -172.8 | -125.1 | 0 | 0 | 108.6 | ||||
| 561 | P | 29.6 | Very low | 25 | Very low | 92 Ų | 92 | 146 Ų | 146 | 60% | 0.597 | 78% | 0.783 | S | S | * | * | -125.8 | 176.5 | -128.7 | 45.1 | -27.7 | 0 | 0 | 0 | 118.7 | |||||
| 562 | L | 21.9 | Very low | 24.7 | Very low | 153 Ų | 153 | 141.7 Ų | 141.7 | 80% | 0.801 | 77% | 0.774 | S | S | * | * | trans | 47.1 | 124.2 | 144.8 | -71.9 | 164.2 | 0 | 0 | 0 | 121.7 | ||||
| 563 | T | 28.2 | Very low | 24.6 | Very low | 146 Ų | 146 | 145.1 Ų | 145.1 | 90% | 0.896 | 78% | 0.784 | S | S | * | * | trans | -157.6 | 157 | 133.5 | 22.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 564 | N | 23 | Very low | 24.4 | Very low | 161 Ų | 161 | 144.4 Ų | 144.4 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | trans | -91.5 | 160.6 | -179.2 | -64.5 | -32.4 | 0 | 0 | 0 | 113 | ||||
| 565 | G | 26.6 | Very low | 24.4 | Very low | 76 Ų | 76 | 143 Ų | 143 | 78% | 0.784 | 78% | 0.782 | S | S | * | * | trans | -161.9 | 126.1 | 165.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 566 | N | 22.9 | Very low | 24.4 | Very low | 146 Ų | 146 | 139.3 Ų | 139.3 | 78% | 0.781 | 78% | 0.777 | S | S | * | * | trans | -99.2 | 151.9 | -174.8 | -66.8 | -25.3 | 0 | 0 | 0 | 112.9 | ||||
| 567 | N | 26.3 | Very low | 24.2 | Very low | 157 Ų | 157 | 137.5 Ų | 137.5 | 84% | 0.84 | 78% | 0.78 | S | S | * | * | trans | 173.6 | 119.9 | 138.8 | -83.6 | -23.1 | 0 | 0 | 0 | 106.6 | ||||
| 568 | V | 22 | Very low | 24.3 | Very low | 117 Ų | 117 | 136.7 Ų | 136.7 | 71% | 0.709 | 78% | 0.781 | S | S | * | * | cis | 71.8 | 86.7 | 47.1 | -172.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 569 | H | 25.3 | Very low | 24.1 | Very low | 169 Ų | 169 | 133.6 Ų | 133.6 | 78% | 0.782 | 78% | 0.779 | S | S | * | * | trans | -176 | 127.2 | 130.7 | -96.1 | -78.1 | 0 | 0 | 0 | 106 | ||||
| 570 | L | 21.3 | Very low | 24.1 | Very low | 149 Ų | 149 | 136.9 Ų | 136.9 | 78% | 0.78 | 79% | 0.786 | S | S | * | * | 88.5 | 130.9 | 50.9 | -156.9 | 161 | 0 | 0 | 0 | 111.5 | |||||
| 571 | A | 22.8 | Very low | 24 | Very low | 91 Ų | 91 | 134.2 Ų | 134.2 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | trans | 77 | 145.2 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 572 | S | 22.9 | Very low | 23.7 | Very low | 101 Ų | 101 | 138.5 Ų | 138.5 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | cis | -158.5 | 157 | -11.1 | 36.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 573 | F | 20.4 | Very low | 23.7 | Very low | 215 Ų | 215 | 138.8 Ų | 138.8 | 94% | 0.943 | 80% | 0.795 | S | S | * | * | trans | -62.5 | 140.1 | 165.4 | -82.9 | -102.7 | 0 | 0 | 0 | 110.5 | ||||
| 574 | S | 23 | Very low | 23.6 | Very low | 108 Ų | 108 | 137.8 Ų | 137.8 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | -153.7 | 140 | 168.1 | -69.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 575 | I | 21.8 | Very low | 23.5 | Very low | 155 Ų | 155 | 135.3 Ų | 135.3 | 80% | 0.795 | 78% | 0.784 | S | S | * | * | trans | -93.6 | 133.2 | -175.9 | -62.7 | 158.8 | 0 | 0 | 0 | 108.2 | S577 | I575-S577 PolarHBondContact O-N 3.14Š| ||
| 576 | P | 26.3 | Very low | 23.6 | Very low | 116 Ų | 116 | 139.9 Ų | 139.9 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | -82.2 | 98.2 | 166.8 | 19.9 | -7.7 | 0 | 0 | 0 | 109.3 | ||||
| 577 | S | 21.8 | Very low | 23.7 | Very low | 99 Ų | 99 | 137.9 Ų | 137.9 | 69% | 0.692 | 79% | 0.788 | S | S | * | * | trans | -103.9 | 89.8 | 170.2 | 57.4 | 0 | 0 | 0 | 0 | 109.4 | I575 | I575-S577 PolarHBondContact O-N 3.14Š| ||
| 578 | D | 26.4 | Very low | 23.8 | Very low | 148 Ų | 148 | 139.7 Ų | 139.7 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | trans | -119.1 | 99.5 | 178.5 | -77 | -51.5 | 0 | 0 | 0 | 111 | ||||
| 579 | S | 22.6 | Very low | 23.9 | Very low | 113 Ų | 113 | 139 Ų | 139 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | trans | -137.4 | 66.2 | 170.6 | 65.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 580 | E | 25.5 | Very low | 24 | Very low | 187 Ų | 187 | 137.5 Ų | 137.5 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | trans | -77.2 | 128 | 177.2 | -69.4 | -157.2 | 124.9 | 0 | 0 | 111.8 | ||||
| 581 | V | 22.7 | Very low | 24.1 | Very low | 120 Ų | 120 | 139.2 Ų | 139.2 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | -104.6 | 103.7 | 176.2 | 176.8 | 0 | 0 | 0 | 0 | 108.3 | L583 | V581-L583 HydrophobicContact CG1-CG 4.41Å; V581-L583 PolarHBondContact O-N 3.47Å; V581-L583 VanDerWaalsContact O-N 3.09Å | ||
| 582 | E | 23.6 | Very low | 24.3 | Very low | 181 Ų | 181 | 143.8 Ų | 143.8 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | trans | -72.8 | 101.2 | 171.6 | -81 | -158.1 | 123.2 | 0 | 0 | 111.4 | T584 | E582-T584 PolarHBondContact O-N 3.43Š| ||
| 583 | L | 21.6 | Very low | 24.2 | Very low | 160 Ų | 160 | 146.7 Ų | 146.7 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | trans | -79 | 90 | 169.1 | -78.3 | 163.9 | 0 | 0 | 0 | 111 | V581 S585 | V581-L583 HydrophobicContact CG1-CG 4.41Å; V581-L583 PolarHBondContact O-N 3.47Å; V581-L583 VanDerWaalsContact O-N 3.09Å; L583-S585 PolarHBondContact O-N 3.24Å | ||
| 584 | T | 26.4 | Very low | 24.4 | Very low | 125 Ų | 125 | 144 Ų | 144 | 77% | 0.767 | 81% | 0.807 | S | S | * | * | trans | -84.4 | 96.9 | 169 | 61.6 | 0 | 0 | 0 | 0 | 111.1 | E582 | E582-T584 PolarHBondContact O-N 3.43Š| ||
| 585 | S | 22.2 | Very low | 24.4 | Very low | 109 Ų | 109 | 149.2 Ų | 149.2 | 76% | 0.762 | 81% | 0.811 | S | S | * | * | trans | -65.7 | 135.4 | 173.8 | 58.8 | 0 | 0 | 0 | 0 | 112.3 | L583 | L583-S585 PolarHBondContact O-N 3.24Š| ||
| 586 | N | 26.9 | Very low | 24.6 | Very low | 171 Ų | 171 | 148.3 Ų | 148.3 | 91% | 0.914 | 81% | 0.813 | S | S | * | * | trans | -132.2 | 101.3 | 160.1 | -114.9 | -34.6 | 0 | 0 | 0 | 109.4 | ||||
| 587 | S | 26 | Very low | 24.6 | Very low | 104 Ų | 104 | 151 Ų | 151 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | trans | -86 | 123.3 | -175.6 | 55.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 588 | H | 28.2 | Very low | 24.8 | Very low | 196 Ų | 196 | 156.1 Ų | 156.1 | 91% | 0.907 | 82% | 0.823 | S | S | * | * | trans | -127.1 | 108.8 | 149.3 | -98.7 | -68.1 | 0 | 0 | 0 | 109.7 | ||||
| 589 | S | 24.6 | Very low | 24.7 | Very low | 102 Ų | 102 | 153.3 Ų | 153.3 | 71% | 0.713 | 81% | 0.811 | S | S | * | * | trans | -72.1 | 140.6 | 174.9 | 53.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 590 | T | 27.6 | Very low | 25 | Very low | 138 Ų | 138 | 155 Ų | 155 | 85% | 0.847 | 81% | 0.811 | S | S | * | * | -169.6 | 125.2 | 111 | 30.2 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 591 | E | 22 | Very low | 25 | Very low | 185 Ų | 185 | 151.7 Ų | 151.7 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | trans | -75.5 | 150 | 158.9 | -55.8 | 168.6 | 115.1 | 0 | 0 | 109.6 | ||||
| 592 | Q | 26.7 | Very low | 25.2 | Very low | 187 Ų | 187 | 151.3 Ų | 151.3 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | -173.9 | 125 | 128.1 | -104.7 | 169.1 | 28.4 | 0 | 0 | 112.1 | |||||
| 593 | L | 21.9 | Very low | 25.5 | Very low | 161 Ų | 161 | 149 Ų | 149 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | trans | -83 | 141 | 159.7 | -78.3 | 157.5 | 0 | 0 | 0 | 109.2 | ||||
| 594 | N | 24.6 | Very low | 25.7 | Very low | 160 Ų | 160 | 148.1 Ų | 148.1 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | trans | -163.3 | 148.1 | 152.3 | -107.5 | -41.4 | 0 | 0 | 0 | 113.2 | ||||
| 595 | Y | 22.7 | Very low | 25.8 | Very low | 216 Ų | 216 | 147.3 Ų | 147.3 | 85% | 0.847 | 79% | 0.791 | S | S | * | * | trans | -135.1 | 120.3 | -176.1 | -108.4 | -81.8 | 0 | 0 | 0 | 110.7 | ||||
| 596 | T | 27 | Very low | 26.1 | Very low | 137 Ų | 137 | 149.9 Ų | 149.9 | 84% | 0.84 | 79% | 0.791 | S | S | * | * | trans | -165.9 | 135 | 154.1 | 39.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 597 | K | 24.5 | Very low | 26.1 | Very low | 172 Ų | 172 | 149.3 Ų | 149.3 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | cis | 103.7 | 107.8 | 29.1 | -96.8 | -164.3 | 171 | -179 | 0 | 114.8 | ||||
| 598 | F | 27.5 | Very low | 26.1 | Very low | 206 Ų | 206 | 149 Ų | 149 | 90% | 0.904 | 78% | 0.781 | S | S | * | * | trans | -143.2 | 143.5 | 133.2 | -83.6 | -92.6 | 0 | 0 | 0 | 105.7 | ||||
| 599 | T | 24.4 | Very low | 26 | Very low | 90 Ų | 90 | 145.4 Ų | 145.4 | 55% | 0.552 | 78% | 0.777 | S | S | * | * | cis | 86.9 | 92.1 | 8.7 | 78.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 600 | D | 27.6 | Very low | 26 | Very low | 147 Ų | 147 | 144 Ų | 144 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | -162.3 | 125.5 | 127.3 | -92.1 | -18.8 | 0 | 0 | 0 | 108.3 | |||||
| 601 | V | 26.1 | Very low | 26 | Very low | 118 Ų | 118 | 145.5 Ų | 145.5 | 72% | 0.715 | 78% | 0.782 | S | S | * | * | 78 | 116.9 | 72.2 | 169.6 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 602 | T | 27.5 | Very low | 26.2 | Very low | 112 Ų | 112 | 143 Ų | 143 | 69% | 0.687 | 78% | 0.779 | S | S | * | * | cis | -161.8 | 168.2 | 35.3 | -12.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 603 | N | 28.9 | Very low | 26.3 | Very low | 133 Ų | 133 | 141.2 Ų | 141.2 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | trans | 69.4 | 105.3 | 145.2 | -71.9 | -19.9 | 0 | 0 | 0 | 125 | ||||
| 604 | N | 27.2 | Very low | 26.6 | Very low | 142 Ų | 142 | 139.4 Ų | 139.4 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | 54.9 | 110.2 | 115.4 | -72.9 | -1.3 | 0 | 0 | 0 | 124.2 | |||||
| 605 | S | 27.1 | Very low | 26.8 | Very low | 108 Ų | 108 | 141.3 Ų | 141.3 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | 106.9 | 150.7 | 108.8 | 77.5 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 606 | Q | 28.5 | Very low | 26.9 | Very low | 162 Ų | 162 | 140.2 Ų | 140.2 | 76% | 0.757 | 77% | 0.774 | S | S | * | * | trans | 83.8 | 115.8 | 160.5 | -65.7 | -165.8 | -13.2 | 0 | 0 | 122.6 | ||||
| 607 | Q | 28.2 | Very low | 26.9 | Very low | 160 Ų | 160 | 139.9 Ų | 139.9 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | 85 | 104.2 | 127.4 | -72.9 | -176.2 | -11.2 | 0 | 0 | 123.3 | |||||
| 608 | S | 25.7 | Very low | 26.9 | Very low | 97 Ų | 97 | 140.2 Ų | 140.2 | 68% | 0.678 | 78% | 0.775 | S | S | * | * | 72.6 | 126.8 | 119.7 | 68.3 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 609 | S | 25.6 | Very low | 26.7 | Very low | 120 Ų | 120 | 137.6 Ų | 137.6 | 84% | 0.839 | 77% | 0.77 | S | S | * | * | trans | 61.1 | 132.7 | 137.8 | 62.1 | 0 | 0 | 0 | 0 | 121 | ||||
| 610 | G | 24.1 | Very low | 26.7 | Very low | 72 Ų | 72 | 138.7 Ų | 138.7 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | trans | 159.2 | 103 | 160.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 611 | D | 28.6 | Very low | 26.7 | Very low | 171 Ų | 171 | 137.2 Ų | 137.2 | 91% | 0.914 | 78% | 0.777 | S | S | * | * | trans | 49.4 | 128.8 | 151.7 | -61.2 | -12.9 | 0 | 0 | 0 | 123.4 | ||||
| 612 | T | 25.7 | Very low | 26.5 | Very low | 132 Ų | 132 | 140.2 Ų | 140.2 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | trans | -70.6 | 130.4 | 169 | 50 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 613 | N | 28.9 | Very low | 26.2 | Very low | 150 Ų | 150 | 140 Ų | 140 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | trans | -156.6 | 131.5 | 146.9 | -115.6 | -52.9 | 0 | 0 | 0 | 110 | K615 | N613-K615 PolarHBondContact O-N 2.98Å; N613-K615 VanDerWaalsContact O-N 3.07Å | ||
| 614 | P | 28.2 | Very low | 25.8 | Very low | 123 Ų | 123 | 139.1 Ų | 139.1 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | trans | -72.1 | 106.6 | -173.7 | 28.2 | -33.7 | 0 | 0 | 0 | 110.9 | ||||
| 615 | K | 28.8 | Very low | 25.5 | Very low | 199 Ų | 199 | 139.9 Ų | 139.9 | 87% | 0.865 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -67 | 135.3 | 170.8 | -76.6 | -180 | 178 | 172.9 | 0 | 109.8 | N613 V617 | N613-K615 PolarHBondContact O-N 2.98Å; N613-K615 VanDerWaalsContact O-N 3.07Å; K615-V617 PolarHBondContact O-N 3.5Å |
| 616 | K | 24.6 | Very low | 25.3 | Very low | 193 Ų | 193 | 141.7 Ų | 141.7 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -47.7 | 120 | 175.2 | -64.9 | 174.5 | 177.4 | 179.1 | 0 | 110.3 | H618 | K616-H618 PolarHBondContact O-N 2.74Š|
| 617 | V | 26.2 | Very low | 25 | Very low | 131 Ų | 131 | 142.1 Ų | 142.1 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -65 | 120.3 | 164.7 | 177.5 | 0 | 0 | 0 | 0 | 107 | K615 L619 | K615-V617 PolarHBondContact O-N 3.5Å; V617-L619 PolarHBondContact O-N 3Å |
| 618 | H | 25.9 | Very low | 24.8 | Very low | 178 Ų | 178 | 143.2 Ų | 143.2 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 118.9 | 167.4 | -89.2 | -94.5 | 0 | 0 | 0 | 108.1 | K616 | K616-H618 PolarHBondContact O-N 2.74Š|
| 619 | L | 22.1 | Very low | 25 | Very low | 152 Ų | 152 | 142.9 Ų | 142.9 | 80% | 0.796 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -62 | 140.3 | 161.9 | -73.5 | 91.9 | 0 | 0 | 0 | 108.4 | V617 | V617-L619 PolarHBondContact O-N 3Š|
| 620 | P | 25.8 | Very low | 25.4 | Very low | 112 Ų | 112 | 141.7 Ų | 141.7 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 154.3 | 165.6 | 28.8 | -34.1 | 0 | 0 | 0 | 109.6 | ||
| 621 | P | 26.4 | Very low | 26.3 | Very low | 116 Ų | 116 | 147.4 Ų | 147.4 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 149.7 | -175 | 26.7 | -35.5 | 0 | 0 | 0 | 111.8 | V623 | P621-V623 PolarHBondContact O-N 2.85Š|
| 622 | E | 22.7 | Very low | 27.4 | Very low | 182 Ų | 182 | 140.7 Ų | 140.7 | 85% | 0.85 | 74% | 0.735 | S | S | * | * | trans | -56 | 105.9 | 179 | -64.8 | 176.4 | 133.9 | 0 | 0 | 111 | T624 | E622-T624 VanDerWaalsContact C-N 3.27Å; E622-T624 PolarHBondContact O-N 3.48Å | ||
| 623 | V | 21.1 | Very low | 28.5 | Very low | 108 Ų | 108 | 140.8 Ų | 140.8 | 66% | 0.655 | 74% | 0.735 | S | S | * | * | trans | -69.1 | 93.2 | 168.9 | 180 | 0 | 0 | 0 | 0 | 106.9 | P621 F625 | P621-V623 PolarHBondContact O-N 2.85Å; V623-F625 HydrophobicContact CB-CD2 4.36Å; V623-F625 HydrophobicContact CB-CE2 4.05Å; V623-F625 HydrophobicContact CG1-CD2 3.93Å; V623-F625 HydrophobicContact CG1-CE1 4.45Å; V623-F625 HydrophobicContact CG1-CE2 3.67Å; V623-F625 HydrophobicContact CG1-CG 4.43Å; V623-F625 HydrophobicContact CG1-CZ 3.96Å; V623-F625 VanDerWaalsContact O-CD2 3.23Å; V623-F625 WeakPolarHBondContact O-CD2 3.22Å; V623-F625 PolarHBondContact O-N 3.15Å | ||
| 624 | T | 21 | Very low | 29.7 | Very low | 113 Ų | 113 | 136.3 Ų | 136.3 | 69% | 0.693 | 72% | 0.715 | S | S | * | * | trans | -68.4 | 86.1 | 174 | 28.4 | 0 | 0 | 0 | 0 | 109 | E622 N626 | E622-T624 VanDerWaalsContact C-N 3.27Å; E622-T624 PolarHBondContact O-N 3.48Å; T624-N626 VanDerWaalsContact C-N 3.3Å; T624-N626 PolarHBondContact O-N 3.23Å; T624-N626 PolarHBondContact O-ND2 3.06Å | ||
| 625 | F | 20.8 | Very low | 30.7 | Very low | 159 Ų | 159 | 132.6 Ų | 132.6 | 70% | 0.697 | 69% | 0.688 | S | S | * | * | trans | -59.2 | 94.1 | 171.1 | -77.8 | -84.6 | 0 | 0 | 0 | 109.1 | V623 F627 | V623-F625 HydrophobicContact CB-CD2 4.36Å; V623-F625 HydrophobicContact CB-CE2 4.05Å; V623-F625 HydrophobicContact CG1-CD2 3.93Å; V623-F625 HydrophobicContact CG1-CE1 4.45Å; V623-F625 HydrophobicContact CG1-CE2 3.67Å; V623-F625 HydrophobicContact CG1-CG 4.43Å; V623-F625 HydrophobicContact CG1-CZ 3.96Å; V623-F625 VanDerWaalsContact O-CD2 3.23Å; V623-F625 WeakPolarHBondContact O-CD2 3.22Å; V623-F625 PolarHBondContact O-N 3.15Å; F625-F627 HydrophobicContact CB-CD2 3.87Å; F625-F627 HydrophobicContact CB-CE2 3.84Å; F625-F627 PolarHBondContact O-N 2.97Å | ||
| 626 | N | 21.6 | Very low | 31.3 | Very low | 146 Ų | 146 | 133.1 Ų | 133.1 | 78% | 0.781 | 69% | 0.685 | S | S | * | * | trans | -68.7 | 79.7 | 168.7 | -82.5 | -79.4 | 0 | 0 | 0 | 108.4 | T624 K628 | T624-N626 VanDerWaalsContact C-N 3.3Å; T624-N626 PolarHBondContact O-N 3.23Å; T624-N626 PolarHBondContact O-ND2 3.06Å; N626-K628 PolarHBondContact O-N 3Å | ||
| 627 | F | 23.5 | Very low | 32.1 | Very low | 171 Ų | 171 | 127.6 Ų | 127.6 | 75% | 0.75 | 67% | 0.671 | S | S | * | * | trans | -58.1 | 96.4 | 173 | -91.1 | -89.5 | 0 | 0 | 0 | 109.4 | F625 | F625-F627 HydrophobicContact CB-CD2 3.87Å; F625-F627 HydrophobicContact CB-CE2 3.84Å; F625-F627 PolarHBondContact O-N 2.97Å | ||
| 628 | K | 24.2 | Very low | 32.9 | Very low | 182 Ų | 182 | 122.7 Ų | 122.7 | 79% | 0.791 | 64% | 0.641 | S | S | * | * | trans | -65.5 | 132.6 | 156.8 | -68.7 | 172.5 | -177.4 | 166.5 | 0 | 106.3 | N626 T630 | N626-K628 PolarHBondContact O-N 3Å; K628-T630 PolarHBondContact O-N 3.21Å | ||
| 629 | P | 29.4 | Very low | 33.5 | Very low | 90 Ų | 90 | 119.8 Ų | 119.8 | 58% | 0.584 | 63% | 0.626 | S | S | * | * | trans | -53.8 | 129 | 179.9 | 20.9 | -32.4 | 0 | 0 | 0 | 109.5 | K631 | P629-K631 PolarHBondContact O-N 3.38Å; P629-K631 VanDerWaalsContact O-N 3.1Å | ||
| 630 | T | 34.9 | Very low | 33.9 | Very low | 96 Ų | 96 | 117.4 Ų | 117.4 | 59% | 0.589 | 62% | 0.618 | S | S | * | * | trans | -61.9 | 114.6 | -176.5 | 39.1 | 0 | 0 | 0 | 0 | 109.3 | K628 C632 | K628-T630 PolarHBondContact O-N 3.21Å; T630-C632 PolarHBondContact O-N 2.94Å | ||
| 631 | K | 42.4 | Very low | 34 | Very low | 191 Ų | 191 | 120.8 Ų | 120.8 | 83% | 0.83 | 62% | 0.621 | S | S | * | * | trans | -57.4 | 125.1 | 173.5 | -70.8 | -175 | 176.9 | -177 | 0 | 108.3 | P629 V633 | P629-K631 PolarHBondContact O-N 3.38Å; P629-K631 VanDerWaalsContact O-N 3.1Å; K631-V633 PolarHBondContact O-N 3.18Å; K631-V633 VanDerWaalsContact O-N 3.1Å | ||
| 632 | C | 50.5 | Low | 34 | Very low | 30 Ų | 30 | 121.7 Ų | 121.7 | 20% | 0.203 | 62% | 0.615 | C | S | . | * | trans | -53 | 118.2 | 170.6 | 158.2 | 0 | 0 | 0 | 0 | 109.9 | T630 C634 D635 C783 | T630-C632 PolarHBondContact O-N 2.94Å; C632-C634 VanDerWaalsContact C-N 3.27Å; C632-C634 WeakPolarHBondContact CB-SG 3.4Å; C632-C634 VanDerWaalsContact SG-CA 3.57Å; C632-C634 WeakPolarHBondContact SG-CB 3.24Å; C632-C634 PolarHBondContact SG-N 2.87Å; C632-C634 VanDerWaalsContact SG-N 3.39Å; C632-C634 CovalentContact SG-SG 2.04Å; C632-C634 PolarHBondContact SG-SG 3.3Å; C632-D635 PolarHBondContact SG-N 3.09Å; C632-D635 VanDerWaalsContact SG-N 3.43Å; C632-C783 PolarHBondContact SG-SG 3.09Å | ||
| 633 | V | 49.1 | Very low | 34.1 | Very low | 134 Ų | 134 | 120.5 Ų | 120.5 | 81% | 0.812 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -21 | 173.7 | -166.8 | 0 | 0 | 0 | 0 | 110.8 | K631 D635 | K631-V633 PolarHBondContact O-N 3.18Å; K631-V633 VanDerWaalsContact O-N 3.1Å; V633-D635 VanDerWaalsContact C-N 3.26Å; V633-D635 PolarHBondContact O-N 3.34Å |
| 634 | C | 55.4 | Low | 34.3 | Very low | 56 Ų | 56 | 118.7 Ų | 118.7 | 38% | 0.378 | 62% | 0.618 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61 | -14.4 | 178.8 | 26.7 | 0 | 0 | 0 | 0 | 116.6 | C632 R636 C786 | C632-C634 VanDerWaalsContact C-N 3.27Å; C632-C634 WeakPolarHBondContact CB-SG 3.4Å; C632-C634 VanDerWaalsContact SG-CA 3.57Å; C632-C634 WeakPolarHBondContact SG-CB 3.24Å; C632-C634 PolarHBondContact SG-N 2.87Å; C632-C634 VanDerWaalsContact SG-N 3.39Å; C632-C634 CovalentContact SG-SG 2.04Å; C632-C634 PolarHBondContact SG-SG 3.3Å; C634-R636 VanDerWaalsContact C-N 3.27Å; C634-R636 PolarHBondContact O-N 3.45Å; C634-C786 PolarHBondContact SG-SG 2.75Å |
| 635 | D | 48.1 | Very low | 34.5 | Very low | 45 Ų | 45 | 118.8 Ų | 118.8 | 24% | 0.241 | 61% | 0.613 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -86.6 | 56.6 | -167.3 | -166 | 29.5 | 0 | 0 | 0 | 113.5 | C632 V633 K757 | C632-D635 PolarHBondContact SG-N 3.09Å; C632-D635 VanDerWaalsContact SG-N 3.43Å; V633-D635 VanDerWaalsContact C-N 3.26Å; V633-D635 PolarHBondContact O-N 3.34Å; D635-K757 VanDerWaalsContact OD2-CE 3.3Å; D635-K757 WeakPolarHBondContact OD2-CE 3.35Å; D635-K757 IonicContact OD2-NZ 3.07Å; D635-K757 PolarHBondContact OD2-NZ 2.93Å |
| 636 | R | 41.9 | Very low | 34.7 | Very low | 211 Ų | 211 | 117.1 Ų | 117.1 | 80% | 0.796 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | -20.3 | 175.2 | -74.5 | -174.6 | 172.4 | -175.7 | -2.1 | 114 | C634 | C634-R636 VanDerWaalsContact C-N 3.27Å; C634-R636 PolarHBondContact O-N 3.45Å |
| 637 | S | 41.2 | Very low | 34.9 | Very low | 77 Ų | 77 | 117.9 Ų | 117.9 | 54% | 0.538 | 62% | 0.618 | S | S | . | * | S | Bend | trans | -94.9 | -8.6 | -163.1 | 57.1 | 0 | 0 | 0 | 0 | 116.9 | R748 | S637-R748 PolarHBondContact OG-NH2 3.42Š|
| 638 | V | 42.5 | Very low | 34.8 | Very low | 28 Ų | 28 | 117.6 Ų | 117.6 | 17% | 0.17 | 63% | 0.625 | C | S | . | * | S | Bend | trans | -84.8 | -33.4 | -179 | -178.4 | 0 | 0 | 0 | 0 | 112.8 | ||
| 639 | F | 38.5 | Very low | 34.9 | Very low | 117 Ų | 117 | 116.2 Ų | 116.2 | 51% | 0.513 | 63% | 0.625 | S | S | . | * | S | Bend | trans | -106.4 | 10.2 | -167.2 | -56.9 | -74.6 | 0 | 0 | 0 | 114 | G755 K757 | F639-G755 WeakPolarHBondContact CE1-O 3.45Å; F639-K757 HydrophobicContact CZ-CG 4.33Å |
| 640 | V | 31.1 | Very low | 34.5 | Very low | 102 Ų | 102 | 120 Ų | 120 | 62% | 0.618 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -125.3 | 104.2 | -175.4 | 179.1 | 0 | 0 | 0 | 0 | 109.6 | ||
| 641 | K | 28.7 | Very low | 34.1 | Very low | 183 Ų | 183 | 121.7 Ų | 121.7 | 80% | 0.796 | 65% | 0.651 | S | S | * | * | trans | 70.7 | 80.1 | 174.4 | -57.4 | 177.9 | 178.9 | -179.9 | 0 | 117.4 | N643 | K641-N643 VanDerWaalsContact C-N 3.31Å; K641-N643 PolarHBondContact O-N 2.8Å | ||
| 642 | H | 25.7 | Very low | 33.1 | Very low | 134 Ų | 134 | 118.5 Ų | 118.5 | 62% | 0.62 | 65% | 0.652 | S | S | * | * | trans | -70.4 | 96.3 | 133.1 | -112.5 | -44.7 | 0 | 0 | 0 | 107.6 | ||||
| 643 | N | 25.3 | Very low | 32 | Very low | 158 Ų | 158 | 122.9 Ų | 122.9 | 85% | 0.845 | 68% | 0.683 | S | S | * | * | trans | -163.3 | 70 | 168.5 | -103.5 | -13.7 | 0 | 0 | 0 | 107.4 | K641 | K641-N643 VanDerWaalsContact C-N 3.31Å; K641-N643 PolarHBondContact O-N 2.8Å | ||
| 644 | G | 24.5 | Very low | 30.7 | Very low | 70 Ų | 70 | 124.8 Ų | 124.8 | 72% | 0.722 | 69% | 0.686 | S | S | * | * | trans | -162.4 | 22.3 | -167.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 645 | I | 25.5 | Very low | 29 | Very low | 115 Ų | 115 | 128.4 Ų | 128.4 | 59% | 0.59 | 71% | 0.706 | S | S | * | * | trans | -125 | 105.5 | 169.8 | -57.5 | 176.2 | 0 | 0 | 0 | 107 | M647 | I645-M647 HydrophobicContact CG2-CG 4.1Å; I645-M647 PolarHBondContact O-N 2.81Å | ||
| 646 | P | 24 | Very low | 27.9 | Very low | 124 Ų | 124 | 132.9 Ų | 132.9 | 81% | 0.805 | 74% | 0.736 | S | S | * | * | trans | -75.8 | 100.2 | 165.8 | 30.5 | -29.6 | 0 | 0 | 0 | 108.2 | ||||
| 647 | M | 26.2 | Very low | 27 | Very low | 161 Ų | 161 | 129.2 Ų | 129.2 | 79% | 0.793 | 74% | 0.736 | S | S | * | * | trans | -85 | 136.4 | 158.1 | -73.9 | -143.9 | -62.3 | 0 | 0 | 109 | I645 L649 | I645-M647 HydrophobicContact CG2-CG 4.1Å; I645-M647 PolarHBondContact O-N 2.81Å; M647-L649 PolarHBondContact O-N 3.3Å | ||
| 648 | D | 22.2 | Very low | 26.3 | Very low | 165 Ų | 165 | 132.3 Ų | 132.3 | 88% | 0.882 | 75% | 0.752 | S | S | * | * | trans | -60.1 | 115.7 | -176.2 | -62.2 | -55.2 | 0 | 0 | 0 | 112.1 | ||||
| 649 | L | 25.6 | Very low | 25.4 | Very low | 154 Ų | 154 | 138.3 Ų | 138.3 | 81% | 0.806 | 78% | 0.783 | S | S | * | * | trans | -134 | 92.4 | 166.4 | -88.6 | 173.5 | 0 | 0 | 0 | 110 | M647 T651 | M647-L649 PolarHBondContact O-N 3.3Å; L649-T651 PolarHBondContact O-N 3.15Å | ||
| 650 | D | 21.8 | Very low | 24.6 | Very low | 170 Ų | 170 | 138 Ų | 138 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | trans | -53.3 | 100.9 | 161.6 | -86.3 | -46.8 | 0 | 0 | 0 | 110.2 | ||||
| 651 | T | 26.3 | Very low | 24.3 | Very low | 131 Ų | 131 | 138.7 Ų | 138.7 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -156.6 | 119.6 | 152.2 | 6.6 | 0 | 0 | 0 | 0 | 111.8 | L649 | L649-T651 PolarHBondContact O-N 3.15Š| ||
| 652 | S | 21.6 | Very low | 24.2 | Very low | 123 Ų | 123 | 136.3 Ų | 136.3 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | -77.3 | 127 | 176.2 | 55.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 653 | S | 25.9 | Very low | 24.2 | Very low | 122 Ų | 122 | 134.1 Ų | 134.1 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | -150.5 | 152.9 | 153.2 | 59.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 654 | M | 23.2 | Very low | 24.2 | Very low | 175 Ų | 175 | 131.5 Ų | 131.5 | 86% | 0.862 | 80% | 0.8 | S | S | * | * | trans | -81.9 | 159.2 | -159 | -60.5 | -174.1 | 70.5 | 0 | 0 | 114.9 | ||||
| 655 | T | 20 | Very low | 24.3 | Very low | 132 Ų | 132 | 134.7 Ų | 134.7 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | trans | -67.2 | 137.9 | 162.8 | 35.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 656 | T | 25.4 | Very low | 24.3 | Very low | 139 Ų | 139 | 136.1 Ų | 136.1 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | trans | -137.6 | 126.9 | 159.5 | 50.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 657 | T | 21.4 | Very low | 24.3 | Very low | 133 Ų | 133 | 136.7 Ų | 136.7 | 82% | 0.816 | 81% | 0.809 | S | S | * | * | trans | -99.7 | 132.2 | -177.4 | 50.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 658 | T | 27.5 | Very low | 24.4 | Very low | 142 Ų | 142 | 136 Ų | 136 | 87% | 0.871 | 81% | 0.814 | S | S | * | * | trans | -149.8 | 140.7 | 160.8 | 42.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 659 | N | 22.4 | Very low | 24.7 | Very low | 154 Ų | 154 | 135.6 Ų | 135.6 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | trans | -96.7 | -179.2 | 178.9 | -71.4 | -15.6 | 0 | 0 | 0 | 112.4 | ||||
| 660 | C | 23.5 | Very low | 24.8 | Very low | 111 Ų | 111 | 133.9 Ų | 133.9 | 75% | 0.75 | 81% | 0.809 | S | S | * | * | trans | 96.5 | 101.4 | 153.9 | -65.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 661 | T | 24.4 | Very low | 25.2 | Very low | 117 Ų | 117 | 131.5 Ų | 131.5 | 72% | 0.718 | 80% | 0.801 | S | S | * | * | 67.9 | 123 | 122.5 | 57.8 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 662 | T | 26 | Very low | 25.1 | Very low | 133 Ų | 133 | 132.7 Ų | 132.7 | 82% | 0.816 | 80% | 0.802 | S | S | * | * | trans | 73.3 | 118.8 | 134.9 | 56 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 663 | A | 25.5 | Very low | 25.9 | Very low | 87 Ų | 87 | 131.1 Ų | 131.1 | 72% | 0.719 | 79% | 0.789 | S | S | * | * | 80.4 | 95.3 | 128.4 | 0 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 664 | S | 24.9 | Very low | 26.1 | Very low | 104 Ų | 104 | 131.4 Ų | 131.4 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | 83.1 | 147.8 | 120.3 | 74.7 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 665 | T | 27.7 | Very low | 26.3 | Very low | 136 Ų | 136 | 129.9 Ų | 129.9 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | trans | 81.4 | 157.7 | 161.8 | 45.9 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 666 | L | 25.1 | Very low | 26.8 | Very low | 146 Ų | 146 | 130 Ų | 130 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | trans | -93.8 | 161.3 | -145 | -91.8 | 68 | 0 | 0 | 0 | 117.2 | ||||
| 667 | D | 24.2 | Very low | 26.9 | Very low | 135 Ų | 135 | 128.9 Ų | 128.9 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | trans | 53.4 | 111 | 144.5 | -61 | -5.1 | 0 | 0 | 0 | 121.5 | ||||
| 668 | T | 28.5 | Very low | 27.1 | Very low | 146 Ų | 146 | 130.6 Ų | 130.6 | 90% | 0.896 | 77% | 0.766 | S | S | * | * | -168.7 | 157.5 | 108 | 16.7 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 669 | I | 28.3 | Very low | 27 | Very low | 157 Ų | 157 | 127.6 Ų | 127.6 | 81% | 0.805 | 75% | 0.751 | S | S | * | * | trans | -113 | 140.2 | -179 | -60.9 | 165.5 | 0 | 0 | 0 | 110.1 | ||||
| 670 | P | 27.3 | Very low | 27.4 | Very low | 118 Ų | 118 | 129.6 Ų | 129.6 | 77% | 0.766 | 75% | 0.752 | S | S | * | * | trans | -139.2 | 113.2 | 137.5 | 29.9 | -11.9 | 0 | 0 | 0 | 114.9 | ||||
| 671 | T | 29.7 | Very low | 27.6 | Very low | 121 Ų | 121 | 132.4 Ų | 132.4 | 74% | 0.742 | 76% | 0.76 | S | S | * | * | trans | 9 | 123.4 | 144.7 | 55.3 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 672 | N | 24.4 | Very low | 27.6 | Very low | 156 Ų | 156 | 135.8 Ų | 135.8 | 83% | 0.834 | 77% | 0.765 | S | S | * | * | 49.1 | 165.5 | 112.5 | -112.3 | 14.4 | 0 | 0 | 0 | 121.6 | |||||
| 673 | P | 39.3 | Very low | 27.6 | Very low | 90 Ų | 90 | 137.2 Ų | 137.2 | 58% | 0.584 | 77% | 0.767 | S | S | * | * | cis | -139 | -173.3 | -0.5 | 36.1 | -13.5 | 0 | 0 | 0 | 116.4 | ||||
| 674 | D | 29.7 | Very low | 27.7 | Very low | 127 Ų | 127 | 141.8 Ų | 141.8 | 68% | 0.679 | 77% | 0.771 | S | S | * | * | trans | 129.8 | 108.4 | 132.5 | -78.7 | -16.3 | 0 | 0 | 0 | 120.3 | ||||
| 675 | I | 27.9 | Very low | 27.7 | Very low | 143 Ų | 143 | 143.8 Ų | 143.8 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | 67.4 | 125.8 | 124.9 | -63.2 | 170.1 | 0 | 0 | 0 | 117.3 | |||||
| 676 | V | 30.5 | Very low | 27.6 | Very low | 135 Ų | 135 | 146.4 Ų | 146.4 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | -130.4 | 144.6 | 59.5 | 175.7 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 677 | D | 26 | Very low | 27.6 | Very low | 115 Ų | 115 | 149 Ų | 149 | 62% | 0.615 | 78% | 0.779 | S | S | * | * | trans | -107.5 | 142.4 | -179.6 | 176.3 | 3.5 | 0 | 0 | 0 | 111.3 | S679 | D677-S679 VanDerWaalsContact OD1-CB 3.28Å; D677-S679 WeakPolarHBondContact OD1-CB 3.17Å; D677-S679 PolarHBondContact OD1-N 3.07Å; D677-S679 PolarHBondContact OD1-OG 3.13Å; D677-S679 PolarHBondContact OD2-OG 3.37Å | ||
| 678 | I | 27.1 | Very low | 27.8 | Very low | 170 Ų | 170 | 148.2 Ų | 148.2 | 87% | 0.872 | 77% | 0.774 | S | S | * | * | trans | -131.3 | 79.9 | 160.8 | -54 | -176.7 | 0 | 0 | 0 | 109.8 | ||||
| 679 | S | 25.3 | Very low | 27.7 | Very low | 79 Ų | 79 | 147.9 Ų | 147.9 | 55% | 0.552 | 77% | 0.766 | S | S | * | * | trans | -118.4 | 110.1 | 170.5 | 58.8 | 0 | 0 | 0 | 0 | 111.3 | D677 | D677-S679 VanDerWaalsContact OD1-CB 3.28Å; D677-S679 WeakPolarHBondContact OD1-CB 3.17Å; D677-S679 PolarHBondContact OD1-N 3.07Å; D677-S679 PolarHBondContact OD1-OG 3.13Å; D677-S679 PolarHBondContact OD2-OG 3.37Å | ||
| 680 | K | 29.3 | Very low | 27.6 | Very low | 196 Ų | 196 | 148 Ų | 148 | 85% | 0.852 | 76% | 0.763 | S | S | * | * | trans | -143.1 | 89 | 170.7 | -77.2 | -164.1 | 179.4 | -179.7 | 0 | 112.7 | ||||
| 681 | N | 28.9 | Very low | 27.7 | Very low | 169 Ų | 169 | 148.8 Ų | 148.8 | 90% | 0.904 | 76% | 0.761 | S | S | * | * | -161.8 | 105.4 | 123.6 | -97 | -13.5 | 0 | 0 | 0 | 109 | |||||
| 682 | K | 24 | Very low | 27.7 | Very low | 189 Ų | 189 | 152.5 Ų | 152.5 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | trans | -98.9 | 107.8 | 171.8 | -76.4 | -179.8 | 174 | 177.8 | 0 | 108.2 | ||||
| 683 | D | 26.1 | Very low | 28.2 | Very low | 162 Ų | 162 | 149.3 Ų | 149.3 | 87% | 0.866 | 74% | 0.744 | S | S | * | * | trans | -163 | 37.9 | 164.3 | -107.4 | -25.2 | 0 | 0 | 0 | 113.9 | ||||
| 684 | F | 27.8 | Very low | 27.8 | Very low | 184 Ų | 184 | 148.2 Ų | 148.2 | 81% | 0.807 | 74% | 0.738 | S | S | * | * | trans | -136.5 | -6.5 | 174 | -111.1 | -83.7 | 0 | 0 | 0 | 117.1 | K686 | F684-K686 VanDerWaalsContact C-N 3.26Å; F684-K686 PolarHBondContact O-N 3.2Å | ||
| 685 | D | 25.2 | Very low | 27.9 | Very low | 145 Ų | 145 | 147.5 Ų | 147.5 | 78% | 0.775 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | 60.1 | 179.7 | -71.8 | -52.3 | 0 | 0 | 0 | 113.9 | ||
| 686 | K | 25.9 | Very low | 28.3 | Very low | 192 Ų | 192 | 143.3 Ų | 143.3 | 84% | 0.835 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.6 | 1.7 | 172.8 | -108 | 176.7 | -175.5 | 172.9 | 0 | 116.5 | F684 | F684-K686 VanDerWaalsContact C-N 3.26Å; F684-K686 PolarHBondContact O-N 3.2Å |
| 687 | F | 24.8 | Very low | 28.5 | Very low | 200 Ų | 200 | 139.9 Ų | 139.9 | 88% | 0.877 | 69% | 0.69 | S | S | * | * | trans | -134.3 | 28.5 | -176 | -86.2 | -75.2 | 0 | 0 | 0 | 115.8 | ||||
| 688 | I | 27.8 | Very low | 28.8 | Very low | 119 Ų | 119 | 138 Ų | 138 | 61% | 0.61 | 68% | 0.683 | S | S | * | * | trans | -106.4 | 96 | 172.6 | -58.1 | -177.8 | 0 | 0 | 0 | 110.5 | H690 | I688-H690 HydrophobicContact CG2-CB 4.35Å; I688-H690 WeakPolarHBondContact CG2-CD2 3.32Å; I688-H690 WeakPolarHBondContact CG2-NE2 3.5Å; I688-H690 PolarHBondContact O-N 2.84Å | ||
| 689 | N | 26.1 | Very low | 29.3 | Very low | 139 Ų | 139 | 135.1 Ų | 135.1 | 74% | 0.743 | 67% | 0.669 | S | S | * | * | trans | -96.6 | 62.4 | 176.8 | -154.4 | -14.9 | 0 | 0 | 0 | 110.4 | N691 | N689-N691 PolarHBondContact O-N 3.09Š| ||
| 690 | H | 27.5 | Very low | 30.1 | Very low | 160 Ų | 160 | 133.3 Ų | 133.3 | 74% | 0.741 | 65% | 0.653 | S | S | * | * | trans | -65.6 | 87.6 | 176.3 | -81.7 | -46 | 0 | 0 | 0 | 110.9 | I688 | I688-H690 HydrophobicContact CG2-CB 4.35Å; I688-H690 WeakPolarHBondContact CG2-CD2 3.32Å; I688-H690 WeakPolarHBondContact CG2-NE2 3.5Å; I688-H690 PolarHBondContact O-N 2.84Å | ||
| 691 | N | 28.3 | Very low | 30.6 | Very low | 134 Ų | 134 | 127.9 Ų | 127.9 | 72% | 0.717 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -179.7 | 55.1 | 155.3 | -92.7 | -29.7 | 0 | 0 | 0 | 111.6 | N689 | N689-N691 PolarHBondContact O-N 3.09Š|
| 692 | R | 30.7 | Very low | 30.9 | Very low | 199 Ų | 199 | 124 Ų | 124 | 75% | 0.751 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -140.2 | -17.6 | 176 | -76.5 | -162.7 | 175.9 | -157.9 | -1.4 | 118.3 | ||
| 693 | L | 33.7 | Very low | 31.3 | Very low | 88 Ų | 88 | 122.3 Ų | 122.3 | 46% | 0.461 | 61% | 0.608 | S | S | . | * | S | Bend | trans | -89.2 | -22.2 | 177 | -78.6 | 110 | 0 | 0 | 0 | 114.1 | D695 L696 | L693-D695 PolarHBondContact O-N 2.9Å; L693-L696 HydrophobicContact CB-CD1 4.28Å; L693-L696 HydrophobicContact CD2-CD1 3.94Å; L693-L696 HydrophobicContact CG-CD1 4.04Å; L693-L696 PolarHBondContact O-N 3.44Å |
| 694 | S | 31.1 | Very low | 31.4 | Very low | 68 Ų | 68 | 121.8 Ų | 121.8 | 48% | 0.476 | 61% | 0.605 | S | S | . | * | G | 310 helix | trans | -55.8 | -34.4 | 175 | 49.6 | 0 | 0 | 0 | 0 | 113.1 | L696 N697 | S694-L696 VanDerWaalsContact C-N 3.34Å; S694-L696 PolarHBondContact O-N 2.7Å; S694-N697 PolarHBondContact O-ND2 3.28Å |
| 695 | D | 31.8 | Very low | 31.3 | Very low | 112 Ų | 112 | 119.1 Ų | 119.1 | 60% | 0.599 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -89.4 | -4.7 | -168.3 | -59.8 | 2.8 | 0 | 0 | 0 | 112.3 | L693 N697 T698 | L693-D695 PolarHBondContact O-N 2.9Å; D695-N697 PolarHBondContact O-N 3.35Å; D695-T698 PolarHBondContact O-OG1 3.28Å; D695-T698 VanDerWaalsContact O-OG1 3.14Å |
| 696 | L | 35.7 | Very low | 31.3 | Very low | 54 Ų | 54 | 117.4 Ų | 117.4 | 28% | 0.283 | 60% | 0.598 | S | S | . | * | G | 310 helix | trans | -69 | -7.6 | 173.7 | -59.5 | 177.6 | 0 | 0 | 0 | 113.1 | L693 S694 T698 P1008 | L693-L696 HydrophobicContact CB-CD1 4.28Å; L693-L696 HydrophobicContact CD2-CD1 3.94Å; L693-L696 HydrophobicContact CG-CD1 4.04Å; L693-L696 PolarHBondContact O-N 3.44Å; S694-L696 VanDerWaalsContact C-N 3.34Å; S694-L696 PolarHBondContact O-N 2.7Å; L696-T698 PolarHBondContact O-N 3.41Å; L696-P1008 HydrophobicContact CD2-CB 3.73Å; L696-P1008 HydrophobicContact CD2-CG 3.66Å |
| 697 | N | 35.6 | Very low | 31.2 | Very low | 64 Ų | 64 | 114.6 Ų | 114.6 | 34% | 0.342 | 59% | 0.592 | S | S | . | * | G | 310 helix | trans | -74.8 | 16.8 | 179.9 | -70.9 | -74.1 | 0 | 0 | 0 | 114.1 | S694 D695 K720 W721 | S694-N697 PolarHBondContact O-ND2 3.28Å; D695-N697 PolarHBondContact O-N 3.35Å; N697-K720 WeakPolarHBondContact O-CD 3.38Å; N697-K720 WeakPolarHBondContact O-CE 3.43Å; N697-K720 PolarHBondContact O-NZ 3.39Å; N697-W721 PolarHBondContact OD1-O 3.44Å |
| 698 | T | 31.9 | Very low | 31.3 | Very low | 76 Ų | 76 | 114.7 Ų | 114.7 | 47% | 0.466 | 59% | 0.592 | S | S | . | * | S | Bend | trans | -112 | 129.5 | -177.4 | 49.7 | 0 | 0 | 0 | 0 | 114.1 | D695 L696 D700 K1007 | D695-T698 PolarHBondContact O-OG1 3.28Å; D695-T698 VanDerWaalsContact O-OG1 3.14Å; L696-T698 PolarHBondContact O-N 3.41Å; T698-D700 PolarHBondContact O-N 3.19Å; T698-K1007 PolarHBondContact O-NZ 3.02Å |
| 699 | D | 38.3 | Very low | 31.2 | Very low | 108 Ų | 108 | 115.5 Ų | 115.5 | 58% | 0.578 | 60% | 0.603 | S | S | * | * | trans | 64.8 | 41.2 | 150.6 | -41.2 | -23.2 | 0 | 0 | 0 | 117.4 | K720 K1007 | D699-K720 IonicContact OD1-NZ 3.3Å; D699-K1007 PolarHBondContact O-NZ 2.98Å | ||
| 700 | D | 42.2 | Very low | 31.2 | Very low | 41 Ų | 41 | 112 Ų | 112 | 22% | 0.219 | 60% | 0.6 | C | S | . | * | trans | -83.9 | -17.5 | 160.5 | -86.7 | -7 | 0 | 0 | 0 | 113 | T698 R858 K1007 | T698-D700 PolarHBondContact O-N 3.19Å; D700-R858 PolarHBondContact O-NH1 3.15Å; D700-R858 PolarHBondContact O-NH2 2.96Å; D700-K1007 IonicContact OD1-NZ 2.65Å; D700-K1007 PolarHBondContact OD1-NZ 3.23Å | ||
| 701 | D | 39.9 | Very low | 31.2 | Very low | 82 Ų | 82 | 112 Ų | 112 | 44% | 0.439 | 61% | 0.605 | S | S | . | * | trans | -100.4 | 89.5 | 177.3 | -69.9 | -53.6 | 0 | 0 | 0 | 112.4 | H703 | D701-H703 PolarHBondContact O-N 3.44Š| ||
| 702 | D | 33.8 | Very low | 31.1 | Very low | 89 Ų | 89 | 115 Ų | 115 | 48% | 0.476 | 62% | 0.615 | S | S | . | * | trans | -67.5 | 85 | 159.9 | -52.3 | -69.5 | 0 | 0 | 0 | 108.2 | K853 R858 K1005 | D702-K853 PolarHBondContact O-NZ 3.34Å; D702-R858 IonicContact OD2-NH2 3.33Å; D702-R858 PolarHBondContact OD2-NH2 3.18Å; D702-K1005 IonicContact OD1-NZ 2.71Å; D702-K1005 IonicContact OD2-NZ 3.43Å; D702-K1005 PolarHBondContact OD2-NZ 3.08Å | ||
| 703 | H | 33.2 | Very low | 31 | Very low | 152 Ų | 152 | 113.5 Ų | 113.5 | 70% | 0.704 | 62% | 0.616 | S | S | * | * | trans | -82.9 | 128.6 | 160.7 | -91.7 | -81 | 0 | 0 | 0 | 108.6 | D701 N705 | D701-H703 PolarHBondContact O-N 3.44Å; H703-N705 PolarHBondContact O-N 2.88Å | ||
| 704 | N | 28.8 | Very low | 30.7 | Very low | 152 Ų | 152 | 121.3 Ų | 121.3 | 81% | 0.813 | 64% | 0.639 | S | S | * | * | trans | -57 | 134.6 | -178.7 | -83.3 | -16.3 | 0 | 0 | 0 | 111.2 | C706 | N704-C706 VanDerWaalsContact C-N 3.33Å; N704-C706 PolarHBondContact O-N 3.21Å | ||
| 705 | N | 25.1 | Very low | 30.5 | Very low | 128 Ų | 128 | 124.2 Ų | 124.2 | 68% | 0.684 | 65% | 0.654 | S | S | * | * | trans | -72.8 | 82.6 | -178.5 | -176 | 42 | 0 | 0 | 0 | 111.4 | H703 N707 | H703-N705 PolarHBondContact O-N 2.88Å; N705-N707 VanDerWaalsContact C-N 3.33Å; N705-N707 PolarHBondContact ND2-OD1 3.1Å; N705-N707 PolarHBondContact O-N 2.83Å | ||
| 706 | C | 25.4 | Very low | 30.3 | Very low | 109 Ų | 109 | 128.3 Ų | 128.3 | 74% | 0.736 | 67% | 0.666 | S | S | * | * | trans | -71.2 | 88 | 168.1 | 44.1 | 0 | 0 | 0 | 0 | 110 | N704 F708 | N704-C706 VanDerWaalsContact C-N 3.33Å; N704-C706 PolarHBondContact O-N 3.21Å; C706-F708 VanDerWaalsContact C-N 3.29Å; C706-F708 PolarHBondContact O-N 3.07Å | ||
| 707 | N | 23.5 | Very low | 30.1 | Very low | 133 Ų | 133 | 135 Ų | 135 | 71% | 0.711 | 69% | 0.693 | S | S | * | * | trans | -60.2 | 84.1 | 172.5 | -81.9 | -20.9 | 0 | 0 | 0 | 111.4 | N705 | N705-N707 VanDerWaalsContact C-N 3.33Å; N705-N707 PolarHBondContact ND2-OD1 3.1Å; N705-N707 PolarHBondContact O-N 2.83Å | ||
| 708 | F | 26.7 | Very low | 30.2 | Very low | 201 Ų | 201 | 136.8 Ų | 136.8 | 88% | 0.882 | 71% | 0.708 | S | S | * | * | trans | -97.8 | 113.6 | 162.1 | -109.1 | -85.9 | 0 | 0 | 0 | 109.6 | C706 G710 | C706-F708 VanDerWaalsContact C-N 3.29Å; C706-F708 PolarHBondContact O-N 3.07Å; F708-G710 PolarHBondContact O-N 3.48Å | ||
| 709 | T | 26.2 | Very low | 30.8 | Very low | 137 Ų | 137 | 142.5 Ų | 142.5 | 84% | 0.84 | 73% | 0.726 | S | S | * | * | trans | -76 | 121.4 | -179.6 | 47.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 710 | G | 25.3 | Very low | 31.4 | Very low | 66 Ų | 66 | 142.5 Ų | 142.5 | 68% | 0.68 | 72% | 0.722 | S | S | * | * | trans | 93.1 | 86 | 157 | 0 | 0 | 0 | 0 | 0 | 117.2 | F708 | F708-G710 PolarHBondContact O-N 3.48Š| ||
| 711 | N | 27.9 | Very low | 32 | Very low | 158 Ų | 158 | 142.6 Ų | 142.6 | 85% | 0.845 | 72% | 0.719 | S | S | * | * | -167.3 | 141.8 | 111.9 | -104 | -31.2 | 0 | 0 | 0 | 112.6 | H713 | N711-H713 PolarHBondContact O-N 3.37Š| |||
| 712 | Q | 25.4 | Very low | 33 | Very low | 197 Ų | 197 | 146.9 Ų | 146.9 | 92% | 0.921 | 73% | 0.733 | S | S | * | * | trans | -90.2 | 79.8 | -178.5 | -67.4 | -170.4 | 8.7 | 0 | 0 | 112.2 | ||||
| 713 | H | 29.5 | Very low | 34.4 | Very low | 168 Ų | 168 | 144.8 Ų | 144.8 | 78% | 0.778 | 72% | 0.722 | S | S | * | * | trans | -106 | 134.1 | 160 | -78.9 | -62.4 | 0 | 0 | 0 | 111.3 | N711 V715 | N711-H713 PolarHBondContact O-N 3.37Å; H713-V715 PolarHBondContact O-N 3.48Å | ||
| 714 | R | 26.7 | Very low | 36 | Very low | 252 Ų | 252 | 137.9 Ų | 137.9 | 95% | 0.951 | 69% | 0.692 | S | S | * | * | trans | -82.7 | 60.4 | -164.9 | -157 | 177.4 | -169.5 | -177.1 | 3.5 | 112 | K716 | R714-K716 PolarHBondContact O-N 2.85Š| ||
| 715 | V | 28.5 | Very low | 37.8 | Very low | 129 Ų | 129 | 134.7 Ų | 134.7 | 78% | 0.782 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 124.9 | 179.7 | -179.3 | 0 | 0 | 0 | 0 | 109.9 | H713 K717 | H713-V715 PolarHBondContact O-N 3.48Å; V715-K717 PolarHBondContact O-N 2.94Å |
| 716 | K | 27.2 | Very low | 40.1 | Very low | 198 Ų | 198 | 132.1 Ų | 132.1 | 86% | 0.861 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 120.4 | 173 | -68.7 | -179.1 | 179.2 | 177.6 | 0 | 108.2 | R714 | R714-K716 PolarHBondContact O-N 2.85Š|
| 717 | K | 30.7 | Very low | 43.1 | Very low | 196 Ų | 196 | 126.9 Ų | 126.9 | 85% | 0.852 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 140.7 | 173.8 | -70 | -173.9 | 177.3 | -176.5 | 0 | 109.5 | V715 | V715-K717 PolarHBondContact O-N 2.94Š|
| 718 | P | 38.7 | Very low | 46.3 | Very low | 101 Ų | 101 | 120.7 Ų | 120.7 | 66% | 0.656 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 146.3 | 176.9 | 25.1 | -34 | 0 | 0 | 0 | 110.4 | K720 | P718-K720 PolarHBondContact O-N 3.38Å; P718-K720 VanDerWaalsContact O-N 3.16Å |
| 719 | K | 43.7 | Very low | 49.6 | Very low | 195 Ų | 195 | 112.5 Ų | 112.5 | 85% | 0.848 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 118.2 | 169.5 | -70.7 | -177.1 | 177.1 | -178.4 | 0 | 107.2 | ||
| 720 | K | 51.9 | Low | 53 | Low | 109 Ų | 109 | 106 Ų | 106 | 47% | 0.474 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -72.2 | 157.4 | 171.8 | -66.3 | -172.4 | 177.4 | -169.7 | 0 | 110 | N697 D699 P718 K722 | N697-K720 WeakPolarHBondContact O-CD 3.38Å; N697-K720 WeakPolarHBondContact O-CE 3.43Å; N697-K720 PolarHBondContact O-NZ 3.39Å; D699-K720 IonicContact OD1-NZ 3.3Å; P718-K720 PolarHBondContact O-N 3.38Å; P718-K720 VanDerWaalsContact O-N 3.16Å; K720-K722 PolarHBondContact O-N 2.73Å |
| 721 | W | 54.7 | Low | 56.4 | Low | 43 Ų | 43 | 102.8 Ų | 102.8 | 16% | 0.163 | 49% | 0.488 | C | S | . | . | P | Polyproline II helix | trans | -49.2 | 121.7 | 166.4 | -27.8 | 98.9 | 0 | 0 | 0 | 109.1 | N697 L827 K828 I830 R831 N851 | N697-W721 PolarHBondContact OD1-O 3.44Å; W721-L827 WeakPolarHBondContact CH2-O 3.32Å; W721-K828 VanDerWaalsContact CZ3-C 3.5Å; W721-I830 VanDerWaalsContact CE3-C 3.5Å; W721-I830 VanDerWaalsContact CZ3-O 3.3Å; W721-I830 WeakPolarHBondContact CZ3-O 3.27Å; W721-R831 HydrophobicContact CD2-CG 4.28Å; W721-R831 HydrophobicContact CE3-CG 4.41Å; W721-N851 WeakPolarHBondContact CH2-ND2 3.4Å |
| 722 | K | 60 | Low | 59.8 | Low | 171 Ų | 171 | 95.3 Ų | 95.3 | 74% | 0.743 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -82.6 | 143.3 | 166.1 | -70.2 | -175.2 | 174.3 | -172.9 | 0 | 108 | K720 | K720-K722 PolarHBondContact O-N 2.73Š|
| 723 | I | 64.1 | Low | 63.3 | Low | 45 Ų | 45 | 85.9 Ų | 85.9 | 23% | 0.231 | 40% | 0.404 | C | S | . | . | trans | -106.1 | 142.7 | 168.7 | -60.7 | 161.8 | 0 | 0 | 0 | 106.5 | G727 L728 T1010 | I723-G727 WeakPolarHBondContact CG2-O 3.4Å; I723-L728 HydrophobicContact CG1-CD2 4.21Å; I723-L728 HydrophobicContact CG2-CD2 4.23Å; I723-T1010 HydrophobicContact CD1-CG2 4.05Å; I723-T1010 HydrophobicContact CG2-CG2 3.89Å | ||
| 724 | G | 65.2 | Low | 66.5 | Low | 7 Ų | 7 | 77.9 Ų | 77.9 | 7% | 0.072 | 37% | 0.367 | C | S | . | . | B | Isolated β-bridge | trans | -57.8 | 156.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | N726 G727 D763 | G724-N726 PolarHBondContact O-N 3.14Å; G724-N726 VanDerWaalsContact O-N 3.07Å; G724-G727 PolarHBondContact N-O 2.78Å; G724-G727 PolarHBondContact O-N 2.7Å; G724-G727 VanDerWaalsContact O-N 3.13Å; G724-D763 PolarHBondContact N-OD1 3.35Å; G724-D763 PolarHBondContact N-OD2 3.19Å; G724-D763 VanDerWaalsContact N-OD2 3.12Å |
| 725 | P | 68 | Low | 69.8 | Low | 85 Ų | 85 | 66 Ų | 66 | 55% | 0.552 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -25.5 | -177.5 | 25.3 | -34.8 | 0 | 0 | 0 | 113.3 | ||
| 726 | N | 73.6 | Confident | 72.8 | Confident | 74 Ų | 74 | 59.9 Ų | 59.9 | 40% | 0.396 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | -6.4 | -176.4 | -64.2 | -23.3 | 0 | 0 | 0 | 113.7 | F490 G724 P1011 A1013 | F490-N726 HydrophobicContact CD1-CB 4.36Å; F490-N726 HydrophobicContact CE1-CB 3.69Å; F490-N726 WeakPolarHBondContact CE1-O 3.41Å; F490-N726 HydrophobicContact CZ-CB 4.17Å; F490-N726 WeakPolarHBondContact CZ-O 3.15Å; G724-N726 PolarHBondContact O-N 3.14Å; G724-N726 VanDerWaalsContact O-N 3.07Å; N726-P1011 WeakPolarHBondContact O-CG 3.4Å; N726-A1013 HydrophobicContact CB-CB 4.07Å |
| 727 | G | 86.8 | Confident | 75.9 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | B | Isolated β-bridge | trans | 128.9 | -167.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | I723 G724 P1011 | I723-G727 WeakPolarHBondContact CG2-O 3.4Å; G724-G727 PolarHBondContact N-O 2.78Å; G724-G727 PolarHBondContact O-N 2.7Å; G724-G727 VanDerWaalsContact O-N 3.13Å; G727-P1011 CarbonylContact C-O 3.5Å; G727-P1011 VanDerWaalsContact CA-O 3.32Å; G727-P1011 WeakPolarHBondContact CA-O 3.47Å |
| 728 | L | 92.2 | Very high | 78.9 | Confident | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 124.1 | 178.8 | -68 | 167.9 | 0 | 0 | 0 | 111.4 | I723 V730 D763 W764 I995 T1010 P1011 A1013 A1014 | I723-L728 HydrophobicContact CG1-CD2 4.21Å; I723-L728 HydrophobicContact CG2-CD2 4.23Å; L728-V730 HydrophobicContact CB-CG2 4.3Å; L728-D763 HydrophobicContact CD2-CB 4.03Å; L728-W764 HydrophobicContact CD1-CE3 4.13Å; L728-W764 HydrophobicContact CD1-CZ3 4.19Å; L728-W764 HydrophobicContact CD2-CE3 4.49Å; L728-I995 HydrophobicContact CD1-CG1 4.47Å; L728-I995 HydrophobicContact CD1-CG2 4.13Å; L728-T1010 HydrophobicContact CD1-CG2 4.23Å; L728-T1010 HydrophobicContact CD2-CG2 4.35Å; L728-T1010 HydrophobicContact CG-CG2 3.78Å; L728-P1011 PolarHBondContact N-O 3.13Å; L728-A1013 PolarHBondContact O-N 3.4Å; L728-A1014 PolarHBondContact O-N 3.16Å |
| 729 | R | 95.3 | Very high | 81.6 | Confident | 29 Ų | 29 | 38.3 Ų | 38.3 | 11% | 0.109 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 116.2 | 168.9 | -59.9 | 167.5 | -62.7 | 153.5 | 14.5 | 108.6 | E760 L761 F762 D763 W764 A1013 L1128 | R729-E760 PolarHBondContact NH1-O 3.37Å; R729-E760 PolarHBondContact NH2-O 2.87Å; R729-L761 WeakPolarHBondContact CB-O 3.46Å; R729-L761 VanDerWaalsContact CD-O 3.3Å; R729-L761 WeakPolarHBondContact CD-O 3.18Å; R729-L761 VanDerWaalsContact CZ-C 3.46Å; R729-L761 PolarHBondContact NE-O 3.34Å; R729-L761 PolarHBondContact NH1-O 2.85Å; R729-L761 VanDerWaalsContact NH1-O 3.13Å; R729-F762 HydrophobicContact CB-CD1 4.28Å; R729-D763 IonicContact CZ-OD1 3.32Å; R729-D763 PolarHBondContact N-OD2 3.04Å; R729-D763 IonicContact NE-OD1 3.03Å; R729-D763 PolarHBondContact NE-OD1 3.21Å; R729-D763 IonicContact NE-OD2 3.96Å; R729-D763 PolarHBondContact NE-OD2 2.78Å; R729-D763 IonicContact NH2-OD1 2.74Å; R729-D763 PolarHBondContact NH2-OD1 2.76Å; R729-D763 PolarHBondContact O-N 2.93Å; R729-W764 PolarHBondContact O-N 3.26Å; R729-A1013 HydrophobicContact CG-CB 4.22Å; R729-L1128 HydrophobicContact CB-CD2 3.97Å; R729-L1128 VanDerWaalsContact CD-O 3.3Å; R729-L1128 WeakPolarHBondContact CD-O 3.48Å; R729-L1128 HydrophobicContact CG-CD2 4.1Å; R729-L1128 PolarHBondContact NH1-O 3.16Å |
| 730 | V | 96.5 | Very high | 84.1 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 133.8 | -168.5 | -172.7 | 0 | 0 | 0 | 0 | 111.1 | L728 W764 V991 I995 I1012 A1014 V1015 V1016 | L728-V730 HydrophobicContact CB-CG2 4.3Å; V730-W764 WeakPolarHBondContact CA-O 3.49Å; V730-V991 HydrophobicContact CG1-CG1 3.88Å; V730-V991 HydrophobicContact CG1-CG2 3.99Å; V730-I995 HydrophobicContact CG1-CD1 4.28Å; V730-I995 HydrophobicContact CG2-CD1 3.6Å; V730-I1012 HydrophobicContact CG2-CG2 4.29Å; V730-A1014 PolarHBondContact N-O 3.09Å; V730-V1015 HydrophobicContact CB-CG2 4.23Å; V730-V1015 HydrophobicContact CG2-CG2 4.45Å; V730-V1016 PolarHBondContact O-N 3.37Å |
| 731 | L | 98.2 | Very high | 86.2 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 133.9 | 173.8 | -179.6 | 63.4 | 0 | 0 | 0 | 110.7 | L733 L747 I758 F762 W764 I765 I766 V1016 L1018 | L731-L733 HydrophobicContact CD1-CD2 3.71Å; L731-L733 HydrophobicContact CD2-CD2 3.99Å; L731-L733 HydrophobicContact CD2-CG 4.36Å; L731-L733 HydrophobicContact CG-CD2 3.7Å; L731-L733 HydrophobicContact CG-CG 4.17Å; L731-L747 HydrophobicContact CD1-CD2 4.31Å; L731-L747 HydrophobicContact CD2-CD2 3.87Å; L731-I758 HydrophobicContact CD2-CG2 3.96Å; L731-F762 HydrophobicContact CB-CB 4.36Å; L731-F762 HydrophobicContact CB-CD1 3.66Å; L731-F762 HydrophobicContact CB-CD2 4.09Å; L731-F762 HydrophobicContact CB-CE1 3.87Å; L731-F762 HydrophobicContact CB-CE2 4.29Å; L731-F762 HydrophobicContact CB-CG 3.76Å; L731-F762 HydrophobicContact CB-CZ 4.18Å; L731-F762 HydrophobicContact CD1-CE1 4.34Å; L731-F762 HydrophobicContact CD1-CE2 4.23Å; L731-F762 HydrophobicContact CD1-CZ 3.98Å; L731-F762 HydrophobicContact CD2-CD2 3.93Å; L731-F762 HydrophobicContact CD2-CE2 3.99Å; L731-F762 HydrophobicContact CD2-CG 4.4Å; L731-F762 HydrophobicContact CG-CD2 4.5Å; L731-F762 HydrophobicContact CG-CE2 4.42Å; L731-F762 HydrophobicContact CG-CZ 4.46Å; L731-W764 PolarHBondContact N-O 3.15Å; L731-I765 HydrophobicContact CB-CG1 4.13Å; L731-I765 HydrophobicContact CB-CG2 4.47Å; L731-I765 HydrophobicContact CD2-CD1 4.2Å; L731-I765 HydrophobicContact CD2-CG1 4.14Å; L731-I765 HydrophobicContact CD2-CG2 4.17Å; L731-I765 HydrophobicContact CG-CG2 4.42Å; L731-I765 CarbonylContact O-C 3.55Å; L731-I765 WeakPolarHBondContact O-CA 3.39Å; L731-I766 PolarHBondContact O-N 3.5Å; L731-V1016 CarbonylContact C-O 3.55Å; L731-V1016 WeakPolarHBondContact CA-O 3.11Å; L731-V1016 HydrophobicContact CD1-CB 4.07Å; L731-V1016 HydrophobicContact CD1-CG1 3.95Å; L731-L1018 HydrophobicContact CD1-CD1 3.92Å; L731-L1018 HydrophobicContact CD1-CG 3.97Å |
| 732 | S | 98.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 121.2 | 177.9 | 179.6 | 0 | 0 | 0 | 0 | 109.9 | I766 T988 V1016 S1017 L1018 | S732-I766 WeakPolarHBondContact CA-O 3.32Å; S732-T988 VanDerWaalsContact CB-OG1 3.3Å; S732-T988 WeakPolarHBondContact CB-OG1 3.21Å; S732-T988 PolarHBondContact OG-N 3.36Å; S732-T988 PolarHBondContact OG-OG1 3.04Å; S732-V1016 PolarHBondContact N-O 3.19Å; S732-S1017 WeakPolarHBondContact O-CA 3.41Å; S732-L1018 PolarHBondContact O-N 2.92Å |
| 733 | L | 98.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 113.6 | -175 | -56.3 | -168.6 | 0 | 0 | 0 | 111.2 | L731 I743 L747 I766 G767 T768 I774 L1018 | L731-L733 HydrophobicContact CD1-CD2 3.71Å; L731-L733 HydrophobicContact CD2-CD2 3.99Å; L731-L733 HydrophobicContact CD2-CG 4.36Å; L731-L733 HydrophobicContact CG-CD2 3.7Å; L731-L733 HydrophobicContact CG-CG 4.17Å; L733-I743 HydrophobicContact CB-CD1 4.28Å; L733-I743 HydrophobicContact CD1-CG2 4.07Å; L733-I743 HydrophobicContact CD2-CG2 3.75Å; L733-I743 HydrophobicContact CG-CG2 4.35Å; L733-L747 HydrophobicContact CD1-CD1 4.2Å; L733-L747 HydrophobicContact CD2-CD1 4.47Å; L733-I766 PolarHBondContact N-O 2.77Å; L733-G767 WeakPolarHBondContact O-CA 3.35Å; L733-T768 PolarHBondContact O-N 2.83Å; L733-T768 VanDerWaalsContact O-N 3.16Å; L733-I774 HydrophobicContact CD1-CB 4.27Å; L733-I774 HydrophobicContact CD1-CG2 3.83Å; L733-L1018 HydrophobicContact CD2-CB 3.87Å; L733-L1018 HydrophobicContact CD2-CD1 3.78Å; L733-L1018 HydrophobicContact CD2-CG 4.01Å |
| 734 | D | 98.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 7% | 0.068 | C | C | . | . | trans | -66.8 | 155.4 | -177.2 | -64.7 | -1.8 | 0 | 0 | 0 | 113.4 | I743 G771 N985 N986 L1018 G1019 T1020 S1063 R1084 | D734-I743 HydrophobicContact CB-CD1 4.49Å; D734-I743 WeakPolarHBondContact O-CD1 3.21Å; D734-G771 PolarHBondContact O-N 2.91Å; D734-N985 VanDerWaalsContact CA-O 3.28Å; D734-N985 WeakPolarHBondContact CA-O 3.36Å; D734-N986 WeakPolarHBondContact OD1-CA 3.3Å; D734-N986 WeakPolarHBondContact OD1-CB 3.39Å; D734-N986 PolarHBondContact OD1-ND2 3.22Å; D734-L1018 PolarHBondContact N-O 3.28Å; D734-L1018 VanDerWaalsContact N-O 3.11Å; D734-G1019 VanDerWaalsContact OD2-CA 3.28Å; D734-G1019 WeakPolarHBondContact OD2-CA 3.34Å; D734-T1020 HydrophobicContact CB-CG2 4.5Å; D734-S1063 WeakPolarHBondContact OD2-CB 3.41Å; D734-R1084 VanDerWaalsContact CG-NH1 3.34Å; D734-R1084 IonicContact OD1-NH1 2.7Å; D734-R1084 PolarHBondContact OD1-NH1 2.9Å; D734-R1084 IonicContact OD2-CZ 3.22Å; D734-R1084 IonicContact OD2-NH1 3.97Å; D734-R1084 PolarHBondContact OD2-NH1 2.85Å; D734-R1084 IonicContact OD2-NH2 2.76Å; D734-R1084 PolarHBondContact OD2-NH2 2.88Å | ||
| 735 | G | 96 | Very high | 93.1 | Very high | 1 Ų | 1 | 11.6 Ų | 11.6 | 1% | 0.01 | 7% | 0.066 | C | C | . | . | trans | -83.1 | 140.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | T768 N985 | G735-T768 WeakPolarHBondContact CA-O 3.33Å; G735-T768 PolarHBondContact N-O 2.92Å; G735-N985 WeakPolarHBondContact CA-OD1 3.44Å; G735-N985 PolarHBondContact N-O 3.25Å; G735-N985 PolarHBondContact N-OD1 3Å; G735-N985 PolarHBondContact O-ND2 3.45Å; G735-N985 VanDerWaalsContact O-ND2 3.08Å; G735-N985 PolarHBondContact O-OD1 2.98Å | ||
| 736 | G | 91.8 | Very high | 94.5 | Very high | 2 Ų | 2 | 7.7 Ų | 7.7 | 2% | 0.021 | 4% | 0.04 | C | C | . | . | trans | -172.1 | 16.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | R739 L1095 | G736-R739 WeakPolarHBondContact O-CB 3.23Å; G736-R739 PolarHBondContact O-N 3.19Å; G736-R739 PolarHBondContact O-NE 2.88Å; G736-L1095 VanDerWaalsContact O-CD2 3.23Å; G736-L1095 WeakPolarHBondContact O-CD2 3.13Å | ||
| 737 | G | 91.9 | Very high | 95.7 | Very high | 13 Ų | 13 | 4.1 Ų | 4.1 | 13% | 0.134 | 2% | 0.022 | C | C | . | . | G | 310 helix | trans | 65 | -140.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | R739 G740 T770 L1095 | G737-R739 PolarHBondContact O-N 2.95Å; G737-G740 PolarHBondContact O-N 3.02Å; G737-T770 WeakPolarHBondContact CA-OG1 3.32Å; G737-T770 PolarHBondContact N-OG1 3.41Å; G737-T770 WeakPolarHBondContact O-CG2 3.37Å; G737-T770 PolarHBondContact O-OG1 3.16Å; G737-T770 VanDerWaalsContact O-OG1 3.07Å; G737-L1095 CarbonylContact C-O 3.5Å; G737-L1095 VanDerWaalsContact CA-O 3.3Å; G737-L1095 WeakPolarHBondContact CA-O 3.47Å |
| 738 | M | 93.9 | Very high | 96.1 | Very high | 2 Ų | 2 | 4.8 Ų | 4.8 | 1% | 0.01 | 2% | 0.024 | C | C | . | . | G | 310 helix | trans | -53.8 | -25.2 | 177.4 | -68.3 | -59.7 | -66.6 | 0 | 0 | 113.8 | G740 L741 L791 F794 K795 F799 L1095 L1103 | M738-G740 PolarHBondContact O-N 3.08Å; M738-G740 VanDerWaalsContact O-N 3.13Å; M738-L741 HydrophobicContact CE-CD1 4.39Å; M738-L741 WeakPolarHBondContact O-CD1 3.42Å; M738-L741 WeakPolarHBondContact O-CG 3.4Å; M738-L741 PolarHBondContact O-N 3.13Å; M738-L791 WeakPolarHBondContact CE-O 3.37Å; M738-F794 HydrophobicContact SD-CB 3.71Å; M738-K795 HydrophobicContact CE-CB 4.01Å; M738-F799 HydrophobicContact CG-CD2 4.12Å; M738-F799 HydrophobicContact CG-CE2 3.74Å; M738-F799 HydrophobicContact SD-CD2 4Å; M738-F799 HydrophobicContact SD-CE2 3.63Å; M738-L1095 PolarHBondContact N-O 3.16Å; M738-L1103 HydrophobicContact CB-CD2 3.81Å; M738-L1103 HydrophobicContact CE-CD1 3.55Å; M738-L1103 HydrophobicContact CE-CD2 4.46Å |
| 739 | R | 95 | Very high | 96.2 | Very high | 26 Ų | 26 | 5.7 Ų | 5.7 | 10% | 0.098 | 3% | 0.032 | C | C | . | . | G | 310 helix | trans | -66.3 | -8.3 | 173.9 | -54.2 | 179.1 | -66.1 | -177.2 | 8.4 | 114.1 | G736 G737 L741 V742 T1020 L1023 I1093 M1106 | G736-R739 WeakPolarHBondContact O-CB 3.23Å; G736-R739 PolarHBondContact O-N 3.19Å; G736-R739 PolarHBondContact O-NE 2.88Å; G737-R739 PolarHBondContact O-N 2.95Å; R739-L741 PolarHBondContact O-N 3.12Å; R739-L741 VanDerWaalsContact O-N 3.13Å; R739-V742 VanDerWaalsContact O-CB 3.24Å; R739-V742 WeakPolarHBondContact O-CB 3.4Å; R739-V742 WeakPolarHBondContact O-CG2 3.45Å; R739-V742 PolarHBondContact O-N 2.94Å; R739-T1020 WeakPolarHBondContact CB-O 3.33Å; R739-L1023 VanDerWaalsContact NH1-CD2 3.31Å; R739-L1023 VanDerWaalsContact NH1-CG 3.31Å; R739-I1093 WeakPolarHBondContact CD-O 3.39Å; R739-I1093 HydrophobicContact CG-CB 4.31Å; R739-I1093 HydrophobicContact CG-CG2 3.94Å; R739-M1106 HydrophobicContact CB-SD 4.02Å; R739-M1106 HydrophobicContact CG-SD 3.88Å |
| 740 | G | 95.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 4.5 Ų | 4.5 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -56.9 | -20.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | G737 M738 V742 I743 V744 I774 | G737-G740 PolarHBondContact O-N 3.02Å; M738-G740 PolarHBondContact O-N 3.08Å; M738-G740 VanDerWaalsContact O-N 3.13Å; G740-V742 PolarHBondContact O-N 3.43Å; G740-I743 WeakPolarHBondContact O-CB 3.38Å; G740-I743 PolarHBondContact O-N 3.17Å; G740-V744 PolarHBondContact O-N 3.22Å; G740-I774 WeakPolarHBondContact O-CD1 3.47Å |
| 741 | L | 96.7 | Very high | 96.2 | Very high | 1 Ų | 1 | 5.1 Ų | 5.1 | 1% | 0.005 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -54.4 | -32.2 | 168 | -70.6 | 166.5 | 0 | 0 | 0 | 112.7 | M738 R739 V744 Q745 R788 L791 F792 L1103 M1106 I1107 | M738-L741 HydrophobicContact CE-CD1 4.39Å; M738-L741 WeakPolarHBondContact O-CD1 3.42Å; M738-L741 WeakPolarHBondContact O-CG 3.4Å; M738-L741 PolarHBondContact O-N 3.13Å; R739-L741 PolarHBondContact O-N 3.12Å; R739-L741 VanDerWaalsContact O-N 3.13Å; L741-V744 PolarHBondContact O-N 3.14Å; L741-Q745 WeakPolarHBondContact O-CG 3.04Å; L741-Q745 PolarHBondContact O-N 2.82Å; L741-R788 HydrophobicContact CD2-CG 4.1Å; L741-L791 HydrophobicContact CD2-CB 3.8Å; L741-L791 HydrophobicContact CD2-CD1 4.44Å; L741-L791 HydrophobicContact CG-CB 4.26Å; L741-F792 HydrophobicContact CD1-CD2 3.77Å; L741-F792 HydrophobicContact CD1-CE2 4.16Å; L741-F792 HydrophobicContact CD2-CD2 4.28Å; L741-L1103 HydrophobicContact CD1-CB 4.48Å; L741-L1103 HydrophobicContact CD1-CD2 4.39Å; L741-M1106 HydrophobicContact CB-CE 3.85Å; L741-M1106 HydrophobicContact CD1-CE 4.14Å; L741-I1107 HydrophobicContact CB-CD1 4.46Å; L741-I1107 HydrophobicContact CB-CG1 4.37Å; L741-I1107 HydrophobicContact CD1-CD1 4.35Å |
| 742 | V | 97.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -61 | -47.8 | 173.3 | 176.3 | 0 | 0 | 0 | 0 | 111 | R739 G740 V744 Q745 L746 P1087 M1106 T1110 | R739-V742 VanDerWaalsContact O-CB 3.24Å; R739-V742 WeakPolarHBondContact O-CB 3.4Å; R739-V742 WeakPolarHBondContact O-CG2 3.45Å; R739-V742 PolarHBondContact O-N 2.94Å; G740-V742 PolarHBondContact O-N 3.43Å; V742-V744 VanDerWaalsContact C-N 3.29Å; V742-V744 PolarHBondContact O-N 3.15Å; V742-Q745 PolarHBondContact O-N 3.08Å; V742-Q745 VanDerWaalsContact O-N 3.12Å; V742-L746 HydrophobicContact CG1-CD1 4.11Å; V742-L746 HydrophobicContact CG1-CG 4.33Å; V742-L746 WeakPolarHBondContact O-CG 3.25Å; V742-L746 PolarHBondContact O-N 3.36Å; V742-P1087 HydrophobicContact CG1-CG 3.41Å; V742-P1087 VanDerWaalsContact CG1-CG 3.41Å; V742-M1106 HydrophobicContact CG2-CE 4.32Å; V742-M1106 HydrophobicContact CG2-CG 3.75Å; V742-M1106 HydrophobicContact CG2-SD 3.75Å; V742-T1110 HydrophobicContact CG1-CG2 4.06Å |
| 743 | I | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -61.7 | -38.5 | 178.9 | -69.7 | 179.5 | 0 | 0 | 0 | 110.9 | L733 D734 G740 Q745 L746 L747 I774 L1018 T1020 | L733-I743 HydrophobicContact CB-CD1 4.28Å; L733-I743 HydrophobicContact CD1-CG2 4.07Å; L733-I743 HydrophobicContact CD2-CG2 3.75Å; L733-I743 HydrophobicContact CG-CG2 4.35Å; D734-I743 HydrophobicContact CB-CD1 4.49Å; D734-I743 WeakPolarHBondContact O-CD1 3.21Å; G740-I743 WeakPolarHBondContact O-CB 3.38Å; G740-I743 PolarHBondContact O-N 3.17Å; I743-Q745 VanDerWaalsContact C-N 3.33Å; I743-Q745 PolarHBondContact O-N 3.21Å; I743-L746 PolarHBondContact O-N 3.02Å; I743-L747 HydrophobicContact CG2-CD1 3.81Å; I743-L747 HydrophobicContact CG2-CG 4.28Å; I743-L747 WeakPolarHBondContact O-CB 3.5Å; I743-L747 VanDerWaalsContact O-CG 3.3Å; I743-L747 WeakPolarHBondContact O-CG 3.41Å; I743-L747 PolarHBondContact O-N 3.25Å; I743-I774 HydrophobicContact CB-CD1 4.07Å; I743-I774 HydrophobicContact CG2-CD1 4.01Å; I743-I774 HydrophobicContact CG2-CG2 4.42Å; I743-L1018 WeakPolarHBondContact CD1-O 3.27Å; I743-L1018 HydrophobicContact CG1-CB 4.18Å; I743-L1018 HydrophobicContact CG2-CB 4.39Å; I743-L1018 HydrophobicContact CG2-CD1 4.37Å; I743-T1020 HydrophobicContact CD1-CG2 3.57Å; I743-T1020 HydrophobicContact CG1-CG2 4.05Å |
| 744 | V | 97.3 | Very high | 95.5 | Very high | 2 Ų | 2 | 10.3 Ų | 10.3 | 1% | 0.012 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -61.2 | -41.2 | 175.4 | 178 | 0 | 0 | 0 | 0 | 111.5 | G740 L741 V742 R748 I774 L784 C787 R788 L791 | G740-V744 PolarHBondContact O-N 3.22Å; L741-V744 PolarHBondContact O-N 3.14Å; V742-V744 VanDerWaalsContact C-N 3.29Å; V742-V744 PolarHBondContact O-N 3.15Å; V744-R748 VanDerWaalsContact O-CB 3.27Å; V744-R748 WeakPolarHBondContact O-CB 3.38Å; V744-R748 PolarHBondContact O-N 3.11Å; V744-I774 HydrophobicContact CG2-CD1 3.95Å; V744-I774 HydrophobicContact CG2-CG1 4.15Å; V744-L784 HydrophobicContact CG1-CB 4.12Å; V744-L784 HydrophobicContact CG1-CD2 4.38Å; V744-L784 VanDerWaalsContact CG1-O 3.22Å; V744-L784 WeakPolarHBondContact CG1-O 3.42Å; V744-C787 HydrophobicContact CG1-CB 4.16Å; V744-C787 HydrophobicContact CG2-CB 3.91Å; V744-R788 HydrophobicContact CG1-CB 4.14Å; V744-L791 HydrophobicContact CG2-CD1 3.71Å |
| 745 | Q | 96 | Very high | 95.2 | Very high | 7 Ų | 7 | 12 Ų | 12 | 3% | 0.033 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -70.3 | -39.5 | 176.5 | -61.4 | -68.5 | 0.7 | 0 | 0 | 112.4 | A387 L741 V742 I743 L747 R748 A749 I1107 T1110 L1114 | A387-Q745 PolarHBondContact O-NE2 3.48Å; L741-Q745 WeakPolarHBondContact O-CG 3.04Å; L741-Q745 PolarHBondContact O-N 2.82Å; V742-Q745 PolarHBondContact O-N 3.08Å; V742-Q745 VanDerWaalsContact O-N 3.12Å; I743-Q745 VanDerWaalsContact C-N 3.33Å; I743-Q745 PolarHBondContact O-N 3.21Å; Q745-L747 PolarHBondContact O-N 3.21Å; Q745-R748 PolarHBondContact O-N 3.01Å; Q745-R748 VanDerWaalsContact O-N 3.14Å; Q745-A749 PolarHBondContact O-N 3.25Å; Q745-I1107 HydrophobicContact CG-CG2 4.13Å; Q745-T1110 HydrophobicContact CB-CG2 3.76Å; Q745-L1114 HydrophobicContact CB-CD1 4.16Å |
| 746 | L | 97.3 | Very high | 95 | Very high | 2 Ų | 2 | 15.2 Ų | 15.2 | 1% | 0.01 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -60.3 | -44.3 | 174.3 | -68 | 176 | 0 | 0 | 0 | 111.8 | V742 I743 R748 L750 L1018 L1085 T1110 Y1113 L1114 | V742-L746 HydrophobicContact CG1-CD1 4.11Å; V742-L746 HydrophobicContact CG1-CG 4.33Å; V742-L746 WeakPolarHBondContact O-CG 3.25Å; V742-L746 PolarHBondContact O-N 3.36Å; I743-L746 PolarHBondContact O-N 3.02Å; L746-R748 VanDerWaalsContact C-N 3.34Å; L746-L750 PolarHBondContact O-N 2.8Å; L746-L1018 HydrophobicContact CB-CD1 4.16Å; L746-L1018 HydrophobicContact CB-CD2 4.39Å; L746-L1018 HydrophobicContact CD1-CB 4.22Å; L746-L1018 HydrophobicContact CD1-CD2 4.31Å; L746-L1085 HydrophobicContact CD1-CB 4.18Å; L746-L1085 HydrophobicContact CD2-CB 4.21Å; L746-T1110 HydrophobicContact CD2-CG2 4.48Å; L746-Y1113 HydrophobicContact CD2-CD1 4.35Å; L746-Y1113 HydrophobicContact CD2-CE1 4.08Å; L746-L1114 HydrophobicContact CD2-CD2 3.77Å; L746-L1114 HydrophobicContact CD2-CG 4.39Å |
| 747 | L | 97.8 | Very high | 95 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -66.3 | -35.6 | 173.6 | -68.7 | 169.9 | 0 | 0 | 0 | 111.7 | L731 L733 I743 Q745 L750 E751 I758 I774 I778 L784 L1018 | L731-L747 HydrophobicContact CD1-CD2 4.31Å; L731-L747 HydrophobicContact CD2-CD2 3.87Å; L733-L747 HydrophobicContact CD1-CD1 4.2Å; L733-L747 HydrophobicContact CD2-CD1 4.47Å; I743-L747 HydrophobicContact CG2-CD1 3.81Å; I743-L747 HydrophobicContact CG2-CG 4.28Å; I743-L747 WeakPolarHBondContact O-CB 3.5Å; I743-L747 VanDerWaalsContact O-CG 3.3Å; I743-L747 WeakPolarHBondContact O-CG 3.41Å; I743-L747 PolarHBondContact O-N 3.25Å; Q745-L747 PolarHBondContact O-N 3.21Å; L747-L750 PolarHBondContact O-N 2.89Å; L747-L750 VanDerWaalsContact O-N 3.16Å; L747-E751 PolarHBondContact O-N 3.34Å; L747-I758 HydrophobicContact CB-CD1 4.07Å; L747-I758 HydrophobicContact CB-CG1 4.16Å; L747-I758 HydrophobicContact CD2-CD1 3.67Å; L747-I758 HydrophobicContact CD2-CG1 4Å; L747-I758 HydrophobicContact CD2-CG2 4.23Å; L747-I758 HydrophobicContact CG-CD1 4.47Å; L747-I774 HydrophobicContact CD1-CG2 3.95Å; L747-I778 HydrophobicContact CD1-CD1 3.75Å; L747-L784 HydrophobicContact CB-CD1 3.59Å; L747-L784 HydrophobicContact CB-CD2 3.92Å; L747-L784 HydrophobicContact CB-CG 4.45Å; L747-L784 HydrophobicContact CD1-CD2 4.13Å; L747-L1018 HydrophobicContact CD2-CD1 3.42Å; L747-L1018 VanDerWaalsContact CD2-CD1 3.42Å; L747-L1018 HydrophobicContact CG-CD1 3.62Å |
| 748 | R | 95.3 | Very high | 95.2 | Very high | 13 Ų | 13 | 17.7 Ų | 17.7 | 5% | 0.049 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -66.4 | -42.7 | -177.9 | -176.4 | 56.8 | 169.3 | 165.3 | 4.9 | 111.7 | E389 S637 V744 Q745 L746 L750 E751 I752 L784 | E389-R748 IonicContact OE1-NE 2.7Å; E389-R748 PolarHBondContact OE1-NE 3.49Å; E389-R748 IonicContact OE2-CZ 2.79Å; E389-R748 VanDerWaalsContact OE2-CZ 3.23Å; E389-R748 IonicContact OE2-NE 3.78Å; E389-R748 PolarHBondContact OE2-NE 3.37Å; E389-R748 IonicContact OE2-NH2 3.7Å; E389-R748 PolarHBondContact OE2-NH2 3.38Å; S637-R748 PolarHBondContact OG-NH2 3.42Å; V744-R748 VanDerWaalsContact O-CB 3.27Å; V744-R748 WeakPolarHBondContact O-CB 3.38Å; V744-R748 PolarHBondContact O-N 3.11Å; Q745-R748 PolarHBondContact O-N 3.01Å; Q745-R748 VanDerWaalsContact O-N 3.14Å; L746-R748 VanDerWaalsContact C-N 3.34Å; R748-L750 VanDerWaalsContact C-N 3.28Å; R748-L750 PolarHBondContact O-N 3.19Å; R748-E751 IonicContact NH1-OE2 2.76Å; R748-E751 PolarHBondContact O-N 2.99Å; R748-I752 HydrophobicContact CG-CD1 4.13Å; R748-I752 WeakPolarHBondContact O-CD1 3.44Å; R748-I752 VanDerWaalsContact O-CG1 3.29Å; R748-I752 WeakPolarHBondContact O-CG1 3.32Å; R748-I752 PolarHBondContact O-N 3.45Å; R748-I752 VanDerWaalsContact O-N 3.11Å; R748-L784 VanDerWaalsContact CA-CD1 3.5Å; R748-L784 HydrophobicContact CB-CD1 4.08Å |
| 749 | A | 94.7 | Very high | 95.1 | Very high | 21 Ų | 21 | 19.8 Ų | 19.8 | 17% | 0.174 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61 | -37.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q745 I752 A753 L1114 I1121 | Q745-A749 PolarHBondContact O-N 3.25Å; A749-I752 PolarHBondContact O-N 2.85Å; A749-A753 WeakPolarHBondContact O-CB 3.34Å; A749-A753 PolarHBondContact O-N 2.82Å; A749-L1114 HydrophobicContact CB-CD1 4.05Å; A749-L1114 HydrophobicContact CB-CD2 3.51Å; A749-L1114 HydrophobicContact CB-CG 4.3Å; A749-I1121 HydrophobicContact CB-CD1 4.12Å |
| 750 | L | 96 | Very high | 94.9 | Very high | 5 Ų | 5 | 24 Ų | 24 | 3% | 0.026 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -71.7 | -35.6 | 178.2 | -172.6 | 63 | 0 | 0 | 0 | 113.1 | L746 L747 R748 I752 S754 I758 L761 F762 I1121 L1124 A1125 L1128 | L746-L750 PolarHBondContact O-N 2.8Å; L747-L750 PolarHBondContact O-N 2.89Å; L747-L750 VanDerWaalsContact O-N 3.16Å; R748-L750 VanDerWaalsContact C-N 3.28Å; R748-L750 PolarHBondContact O-N 3.19Å; L750-I752 VanDerWaalsContact C-N 3.34Å; L750-S754 VanDerWaalsContact O-CB 3.3Å; L750-S754 WeakPolarHBondContact O-CB 3.23Å; L750-S754 PolarHBondContact O-N 2.95Å; L750-S754 VanDerWaalsContact O-N 3.12Å; L750-S754 PolarHBondContact O-OG 3.13Å; L750-I758 HydrophobicContact CB-CD1 4.48Å; L750-I758 HydrophobicContact CD2-CD1 4.34Å; L750-L761 HydrophobicContact CD2-CD1 4.14Å; L750-L761 HydrophobicContact CG-CD1 3.86Å; L750-F762 HydrophobicContact CD2-CE2 3.87Å; L750-F762 HydrophobicContact CD2-CZ 3.87Å; L750-I1121 HydrophobicContact CD1-CG2 4.35Å; L750-L1124 HydrophobicContact CD1-CD2 4.18Å; L750-L1124 HydrophobicContact CD1-CG 4.06Å; L750-L1124 HydrophobicContact CD2-CD2 4.37Å; L750-A1125 HydrophobicContact CD1-CB 4.08Å; L750-L1128 HydrophobicContact CD1-CD1 4.29Å; L750-L1128 HydrophobicContact CD2-CD1 3.99Å |
| 751 | E | 95.3 | Very high | 94.8 | Very high | 13 Ų | 13 | 24 Ų | 24 | 6% | 0.061 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.2 | -38.9 | 170.7 | -69.7 | -161.3 | 141.6 | 0 | 0 | 112.1 | L747 R748 G755 K756 K757 I758 L784 | L747-E751 PolarHBondContact O-N 3.34Å; R748-E751 IonicContact NH1-OE2 2.76Å; R748-E751 PolarHBondContact O-N 2.99Å; E751-G755 WeakPolarHBondContact O-CA 3.28Å; E751-G755 PolarHBondContact O-N 2.95Å; E751-G755 VanDerWaalsContact O-N 3.09Å; E751-K756 WeakPolarHBondContact CA-O 3.11Å; E751-K756 PolarHBondContact O-N 3.41Å; E751-K757 VanDerWaalsContact OE1-CA 3.31Å; E751-K757 WeakPolarHBondContact OE1-CA 3.49Å; E751-I758 HydrophobicContact CG-CD1 3.64Å; E751-I758 HydrophobicContact CG-CG1 3.65Å; E751-I758 PolarHBondContact OE1-N 2.83Å; E751-L784 HydrophobicContact CG-CD1 3.81Å; E751-L784 WeakPolarHBondContact OE2-CD1 3.36Å |
| 752 | I | 92.6 | Very high | 94.7 | Very high | 83 Ų | 83 | 24.1 Ų | 24.1 | 43% | 0.426 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -66.8 | -55.9 | 178.2 | -68.1 | 165 | 0 | 0 | 0 | 110.4 | R748 A749 L750 S754 G755 | R748-I752 HydrophobicContact CG-CD1 4.13Å; R748-I752 WeakPolarHBondContact O-CD1 3.44Å; R748-I752 VanDerWaalsContact O-CG1 3.29Å; R748-I752 WeakPolarHBondContact O-CG1 3.32Å; R748-I752 PolarHBondContact O-N 3.45Å; R748-I752 VanDerWaalsContact O-N 3.11Å; A749-I752 PolarHBondContact O-N 2.85Å; L750-I752 VanDerWaalsContact C-N 3.34Å; I752-S754 VanDerWaalsContact C-N 3.29Å; I752-S754 PolarHBondContact O-N 3.04Å; I752-G755 PolarHBondContact O-N 2.66Å |
| 753 | A | 93.7 | Very high | 94.6 | Very high | 15 Ų | 15 | 24.3 Ų | 24.3 | 12% | 0.124 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -56.8 | -38.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | A749 I1121 E1122 A1125 | A749-A753 WeakPolarHBondContact O-CB 3.34Å; A749-A753 PolarHBondContact O-N 2.82Å; A753-I1121 HydrophobicContact CB-CG2 3.9Å; A753-E1122 WeakPolarHBondContact CA-OE1 3.43Å; A753-E1122 WeakPolarHBondContact CB-OE1 3.13Å; A753-A1125 HydrophobicContact CB-CB 3.78Å |
| 754 | S | 94.2 | Very high | 94.5 | Very high | 10 Ų | 10 | 24.3 Ų | 24.3 | 7% | 0.07 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -87.9 | -13.9 | -178.3 | 65.9 | 0 | 0 | 0 | 0 | 114.9 | L750 I752 K756 L761 | L750-S754 VanDerWaalsContact O-CB 3.3Å; L750-S754 WeakPolarHBondContact O-CB 3.23Å; L750-S754 PolarHBondContact O-N 2.95Å; L750-S754 VanDerWaalsContact O-N 3.12Å; L750-S754 PolarHBondContact O-OG 3.13Å; I752-S754 VanDerWaalsContact C-N 3.29Å; I752-S754 PolarHBondContact O-N 3.04Å; S754-K756 PolarHBondContact O-N 2.76Å; S754-K756 VanDerWaalsContact O-N 3.14Å; S754-K756 PolarHBondContact OG-N 3.12Å; S754-K756 PolarHBondContact OG-O 2.68Å; S754-L761 WeakPolarHBondContact OG-CD1 3.17Å |
| 755 | G | 92.3 | Very high | 94.5 | Very high | 37 Ų | 37 | 24.3 Ų | 24.3 | 38% | 0.381 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 19.1 | -168.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | F639 E751 I752 | F639-G755 WeakPolarHBondContact CE1-O 3.45Å; E751-G755 WeakPolarHBondContact O-CA 3.28Å; E751-G755 PolarHBondContact O-N 2.95Å; E751-G755 VanDerWaalsContact O-N 3.09Å; I752-G755 PolarHBondContact O-N 2.66Å |
| 756 | K | 91.9 | Very high | 94.5 | Very high | 68 Ų | 68 | 24 Ų | 24 | 30% | 0.296 | 13% | 0.132 | S | C | . | . | S | Bend | trans | -134 | 151.8 | -172.7 | -73.2 | 170.3 | -179.9 | 166.9 | 0 | 110.4 | E751 S754 L761 Q1129 | E751-K756 WeakPolarHBondContact CA-O 3.11Å; E751-K756 PolarHBondContact O-N 3.41Å; S754-K756 PolarHBondContact O-N 2.76Å; S754-K756 VanDerWaalsContact O-N 3.14Å; S754-K756 PolarHBondContact OG-N 3.12Å; S754-K756 PolarHBondContact OG-O 2.68Å; K756-L761 HydrophobicContact CB-CD2 3.96Å; K756-L761 HydrophobicContact CB-CG 4.29Å; K756-L761 HydrophobicContact CD-CD2 4.23Å; K756-Q1129 HydrophobicContact CD-CG 3.99Å; K756-Q1129 VanDerWaalsContact CE-OE1 3.29Å |
| 757 | K | 92.5 | Very high | 94.6 | Very high | 67 Ų | 67 | 23.9 Ų | 23.9 | 29% | 0.291 | 13% | 0.131 | S | C | . | . | trans | -72.1 | 150.9 | 178.4 | -60.7 | -168.3 | 174 | -166.2 | 0 | 111.3 | D635 F639 E751 T759 E760 L761 | D635-K757 VanDerWaalsContact OD2-CE 3.3Å; D635-K757 WeakPolarHBondContact OD2-CE 3.35Å; D635-K757 IonicContact OD2-NZ 3.07Å; D635-K757 PolarHBondContact OD2-NZ 2.93Å; F639-K757 HydrophobicContact CZ-CG 4.33Å; E751-K757 VanDerWaalsContact OE1-CA 3.31Å; E751-K757 WeakPolarHBondContact OE1-CA 3.49Å; K757-T759 PolarHBondContact O-N 2.74Å; K757-E760 PolarHBondContact O-N 3.47Å; K757-L761 PolarHBondContact O-N 3.29Å | ||
| 758 | I | 94.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -51.5 | -33 | 170.9 | -60.4 | -51.1 | 0 | 0 | 0 | 111.2 | L731 L747 L750 E751 E760 L761 F762 I765 I778 L784 | L731-I758 HydrophobicContact CD2-CG2 3.96Å; L747-I758 HydrophobicContact CB-CD1 4.07Å; L747-I758 HydrophobicContact CB-CG1 4.16Å; L747-I758 HydrophobicContact CD2-CD1 3.67Å; L747-I758 HydrophobicContact CD2-CG1 4Å; L747-I758 HydrophobicContact CD2-CG2 4.23Å; L747-I758 HydrophobicContact CG-CD1 4.47Å; L750-I758 HydrophobicContact CB-CD1 4.48Å; L750-I758 HydrophobicContact CD2-CD1 4.34Å; E751-I758 HydrophobicContact CG-CD1 3.64Å; E751-I758 HydrophobicContact CG-CG1 3.65Å; E751-I758 PolarHBondContact OE1-N 2.83Å; I758-E760 PolarHBondContact O-N 3.47Å; I758-L761 HydrophobicContact CD1-CD1 4.22Å; I758-L761 PolarHBondContact O-N 3.14Å; I758-F762 HydrophobicContact CG2-CD2 3.99Å; I758-F762 HydrophobicContact CG2-CE2 4.38Å; I758-I765 HydrophobicContact CG2-CD1 4.23Å; I758-I778 HydrophobicContact CB-CG2 4.15Å; I758-I778 HydrophobicContact CG2-CG2 4.21Å; I758-L784 HydrophobicContact CG1-CD1 4.22Å |
| 759 | T | 92.4 | Very high | 94.6 | Very high | 46 Ų | 46 | 23.9 Ų | 23.9 | 28% | 0.282 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -74.7 | 4.3 | 177.8 | 52.9 | 0 | 0 | 0 | 0 | 115.9 | K757 I778 I830 | K757-T759 PolarHBondContact O-N 2.74Å; T759-I778 HydrophobicContact CG2-CG2 3.66Å; T759-I830 VanDerWaalsContact CA-CD1 3.4Å; T759-I830 HydrophobicContact CG2-CD1 4.27Å; T759-I830 WeakPolarHBondContact O-CD1 3.49Å |
| 760 | E | 91.6 | Very high | 94.6 | Very high | 115 Ų | 115 | 23.2 Ų | 23.2 | 54% | 0.537 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -120.9 | -21 | 174.2 | -61.5 | -178.7 | -143.8 | 0 | 0 | 112.1 | R729 K757 I758 | R729-E760 PolarHBondContact NH1-O 3.37Å; R729-E760 PolarHBondContact NH2-O 2.87Å; K757-E760 PolarHBondContact O-N 3.47Å; I758-E760 PolarHBondContact O-N 3.47Å |
| 761 | L | 93.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -82.1 | -23.2 | 179 | -64.5 | 178.1 | 0 | 0 | 0 | 114.7 | R729 L750 S754 K756 K757 I758 L1128 Q1129 | R729-L761 WeakPolarHBondContact CB-O 3.46Å; R729-L761 VanDerWaalsContact CD-O 3.3Å; R729-L761 WeakPolarHBondContact CD-O 3.18Å; R729-L761 VanDerWaalsContact CZ-C 3.46Å; R729-L761 PolarHBondContact NE-O 3.34Å; R729-L761 PolarHBondContact NH1-O 2.85Å; R729-L761 VanDerWaalsContact NH1-O 3.13Å; L750-L761 HydrophobicContact CD2-CD1 4.14Å; L750-L761 HydrophobicContact CG-CD1 3.86Å; S754-L761 WeakPolarHBondContact OG-CD1 3.17Å; K756-L761 HydrophobicContact CB-CD2 3.96Å; K756-L761 HydrophobicContact CB-CG 4.29Å; K756-L761 HydrophobicContact CD-CD2 4.23Å; K757-L761 PolarHBondContact O-N 3.29Å; I758-L761 HydrophobicContact CD1-CD1 4.22Å; I758-L761 PolarHBondContact O-N 3.14Å; L761-L1128 HydrophobicContact CB-CD1 4.43Å; L761-L1128 HydrophobicContact CD2-CB 4.2Å; L761-Q1129 HydrophobicContact CD2-CG 4.35Å |
| 762 | F | 95.5 | Very high | 94.8 | Very high | 2 Ų | 2 | 22.3 Ų | 22.3 | 1% | 0.009 | 12% | 0.123 | C | C | . | . | trans | -126.4 | 144.9 | -173.6 | -63.7 | -76.4 | 0 | 0 | 0 | 112.6 | R729 L731 L750 I758 I765 I830 V1016 L1128 | R729-F762 HydrophobicContact CB-CD1 4.28Å; L731-F762 HydrophobicContact CB-CB 4.36Å; L731-F762 HydrophobicContact CB-CD1 3.66Å; L731-F762 HydrophobicContact CB-CD2 4.09Å; L731-F762 HydrophobicContact CB-CE1 3.87Å; L731-F762 HydrophobicContact CB-CE2 4.29Å; L731-F762 HydrophobicContact CB-CG 3.76Å; L731-F762 HydrophobicContact CB-CZ 4.18Å; L731-F762 HydrophobicContact CD1-CE1 4.34Å; L731-F762 HydrophobicContact CD1-CE2 4.23Å; L731-F762 HydrophobicContact CD1-CZ 3.98Å; L731-F762 HydrophobicContact CD2-CD2 3.93Å; L731-F762 HydrophobicContact CD2-CE2 3.99Å; L731-F762 HydrophobicContact CD2-CG 4.4Å; L731-F762 HydrophobicContact CG-CD2 4.5Å; L731-F762 HydrophobicContact CG-CE2 4.42Å; L731-F762 HydrophobicContact CG-CZ 4.46Å; L750-F762 HydrophobicContact CD2-CE2 3.87Å; L750-F762 HydrophobicContact CD2-CZ 3.87Å; I758-F762 HydrophobicContact CG2-CD2 3.99Å; I758-F762 HydrophobicContact CG2-CE2 4.38Å; F762-I765 HydrophobicContact CB-CG1 4.18Å; F762-I830 WeakPolarHBondContact O-CD1 3.43Å; F762-I830 VanDerWaalsContact O-CG1 3.31Å; F762-I830 WeakPolarHBondContact O-CG1 3.47Å; F762-V1016 HydrophobicContact CE1-CB 4.02Å; F762-V1016 HydrophobicContact CE1-CG2 3.69Å; F762-V1016 HydrophobicContact CZ-CB 4.2Å; F762-V1016 HydrophobicContact CZ-CG2 3.96Å; F762-L1128 HydrophobicContact CD1-CD2 4.25Å; F762-L1128 HydrophobicContact CE1-CD1 3.88Å; F762-L1128 HydrophobicContact CE1-CD2 3.74Å; F762-L1128 HydrophobicContact CE2-CD1 4.21Å; F762-L1128 HydrophobicContact CZ-CD1 3.52Å; F762-L1128 HydrophobicContact CZ-CD2 4.27Å | ||
| 763 | D | 94.1 | Very high | 94.9 | Very high | 4 Ų | 4 | 18.4 Ų | 18.4 | 2% | 0.021 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -103.6 | -13.9 | -179.4 | -49.3 | -46.2 | 0 | 0 | 0 | 112 | G724 L728 R729 | G724-D763 PolarHBondContact N-OD1 3.35Å; G724-D763 PolarHBondContact N-OD2 3.19Å; G724-D763 VanDerWaalsContact N-OD2 3.12Å; L728-D763 HydrophobicContact CD2-CB 4.03Å; R729-D763 IonicContact CZ-OD1 3.32Å; R729-D763 PolarHBondContact N-OD2 3.04Å; R729-D763 IonicContact NE-OD1 3.03Å; R729-D763 PolarHBondContact NE-OD1 3.21Å; R729-D763 IonicContact NE-OD2 3.96Å; R729-D763 PolarHBondContact NE-OD2 2.78Å; R729-D763 IonicContact NH2-OD1 2.74Å; R729-D763 PolarHBondContact NH2-OD1 2.76Å; R729-D763 PolarHBondContact O-N 2.93Å |
| 764 | W | 95.4 | Very high | 95.1 | Very high | 1 Ų | 1 | 17.7 Ų | 17.7 | 0% | 0.004 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 131 | 176.6 | -149.7 | -38 | 0 | 0 | 0 | 109.6 | L728 R729 V730 L731 R831 Y852 V991 E994 I995 L998 | L728-W764 HydrophobicContact CD1-CE3 4.13Å; L728-W764 HydrophobicContact CD1-CZ3 4.19Å; L728-W764 HydrophobicContact CD2-CE3 4.49Å; R729-W764 PolarHBondContact O-N 3.26Å; V730-W764 WeakPolarHBondContact CA-O 3.49Å; L731-W764 PolarHBondContact N-O 3.15Å; W764-R831 CarbonylContact C-O 3.52Å; W764-R831 WeakPolarHBondContact CA-O 3.08Å; W764-R831 HydrophobicContact CB-CB 4.34Å; W764-R831 HydrophobicContact CD2-CB 4.04Å; W764-R831 HydrophobicContact CG-CB 3.76Å; W764-Y852 AromaticContact CE2-CE1 3.96Å; W764-Y852 AromaticContact CE2-CZ 3.67Å; W764-Y852 HydrophobicContact CZ2-CE1 4.17Å; W764-Y852 AromaticContact CZ2-CE2 3.75Å; W764-Y852 HydrophobicContact CZ2-CE2 3.75Å; W764-Y852 AromaticContact CZ2-CZ 3.5Å; W764-Y852 WeakPolarHBondContact CZ2-OH 3.39Å; W764-Y852 AromaticContact NE1-CE1 3.49Å; W764-Y852 AromaticContact NE1-CZ 3.41Å; W764-Y852 PolarHBondContact NE1-OH 3.01Å; W764-V991 HydrophobicContact CD2-CG2 4.37Å; W764-V991 HydrophobicContact CG-CG2 4.36Å; W764-E994 HydrophobicContact CH2-CG 4.27Å; W764-E994 HydrophobicContact CZ2-CG 4.02Å; W764-I995 HydrophobicContact CD2-CG1 4.44Å; W764-I995 HydrophobicContact CE3-CD1 4.36Å; W764-I995 HydrophobicContact CE3-CG1 3.75Å; W764-I995 HydrophobicContact CH2-CG1 3.95Å; W764-I995 HydrophobicContact CZ3-CB 4.43Å; W764-I995 HydrophobicContact CZ3-CG1 3.48Å; W764-I995 VanDerWaalsContact CZ3-CG1 3.48Å; W764-L998 HydrophobicContact CH2-CB 4.42Å; W764-L998 HydrophobicContact CH2-CD2 3.92Å; W764-L998 HydrophobicContact CZ3-CD2 3.58Å |
| 765 | I | 97.3 | Very high | 95.2 | Very high | 2 Ų | 2 | 17.2 Ų | 17.2 | 1% | 0.01 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 135.7 | 173.9 | -57.8 | 178.4 | 0 | 0 | 0 | 108.3 | L731 I758 F762 S775 I779 I830 R831 V832 A833 | L731-I765 HydrophobicContact CB-CG1 4.13Å; L731-I765 HydrophobicContact CB-CG2 4.47Å; L731-I765 HydrophobicContact CD2-CD1 4.2Å; L731-I765 HydrophobicContact CD2-CG1 4.14Å; L731-I765 HydrophobicContact CD2-CG2 4.17Å; L731-I765 HydrophobicContact CG-CG2 4.42Å; L731-I765 CarbonylContact O-C 3.55Å; L731-I765 WeakPolarHBondContact O-CA 3.39Å; I758-I765 HydrophobicContact CG2-CD1 4.23Å; F762-I765 HydrophobicContact CB-CG1 4.18Å; I765-S775 WeakPolarHBondContact CG2-OG 3.47Å; I765-I779 HydrophobicContact CB-CD1 4.31Å; I765-I779 HydrophobicContact CD1-CD1 4.04Å; I765-I779 HydrophobicContact CD1-CG1 4.21Å; I765-I830 HydrophobicContact CD1-CD1 4.22Å; I765-I830 HydrophobicContact CD1-CG2 4.27Å; I765-I830 HydrophobicContact CG1-CG2 3.92Å; I765-R831 PolarHBondContact N-O 3.5Å; I765-V832 VanDerWaalsContact O-CA 3.28Å; I765-V832 WeakPolarHBondContact O-CA 3.4Å; I765-A833 PolarHBondContact O-N 3.44Å; I765-A833 VanDerWaalsContact O-N 3.08Å |
| 766 | I | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 145.2 | 168.7 | -171.5 | 162.4 | 0 | 0 | 0 | 109.9 | L731 S732 L733 A833 T835 M848 P987 V991 | L731-I766 PolarHBondContact O-N 3.5Å; S732-I766 WeakPolarHBondContact CA-O 3.32Å; L733-I766 PolarHBondContact N-O 2.77Å; I766-A833 WeakPolarHBondContact CA-O 3.23Å; I766-A833 HydrophobicContact CB-CB 4.32Å; I766-A833 HydrophobicContact CD1-CB 3.83Å; I766-A833 HydrophobicContact CG1-CB 3.81Å; I766-T835 HydrophobicContact CD1-CG2 4.03Å; I766-T835 HydrophobicContact CG1-CG2 4.29Å; I766-M848 HydrophobicContact CD1-CE 3.57Å; I766-P987 HydrophobicContact CB-CG 4.49Å; I766-P987 HydrophobicContact CD1-CB 3.77Å; I766-P987 HydrophobicContact CD1-CG 4.46Å; I766-P987 HydrophobicContact CG1-CB 3.8Å; I766-P987 HydrophobicContact CG1-CG 3.96Å; I766-P987 HydrophobicContact CG2-CB 4.22Å; I766-P987 HydrophobicContact CG2-CG 3.95Å; I766-V991 HydrophobicContact CB-CB 4.26Å; I766-V991 HydrophobicContact CB-CG2 4.47Å; I766-V991 HydrophobicContact CD1-CB 3.98Å; I766-V991 HydrophobicContact CG2-CB 3.76Å; I766-V991 HydrophobicContact CG2-CG1 3.7Å; I766-V991 HydrophobicContact CG2-CG2 4.26Å |
| 767 | G | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 162.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | L733 A833 V834 T835 | L733-G767 WeakPolarHBondContact O-CA 3.35Å; G767-A833 PolarHBondContact N-O 2.91Å; G767-A833 VanDerWaalsContact N-O 3.09Å; G767-V834 WeakPolarHBondContact O-CA 3.41Å; G767-T835 PolarHBondContact O-N 2.78Å; G767-T835 VanDerWaalsContact O-N 3.11Å |
| 768 | T | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 5% | 0.05 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 138.1 | 179.1 | -55.1 | 0 | 0 | 0 | 0 | 110.8 | L733 G735 T770 G771 A772 T835 G980 G981 S984 P987 | L733-T768 PolarHBondContact O-N 2.83Å; L733-T768 VanDerWaalsContact O-N 3.16Å; G735-T768 WeakPolarHBondContact CA-O 3.33Å; G735-T768 PolarHBondContact N-O 2.92Å; T768-T770 PolarHBondContact O-N 2.96Å; T768-T770 VanDerWaalsContact O-N 3.13Å; T768-G771 WeakPolarHBondContact O-CA 3.24Å; T768-G771 PolarHBondContact O-N 3.37Å; T768-A772 PolarHBondContact O-N 2.91Å; T768-T835 WeakPolarHBondContact CB-OG1 3.41Å; T768-T835 WeakPolarHBondContact CG2-OG1 3.42Å; T768-T835 PolarHBondContact OG1-OG1 3.32Å; T768-G980 VanDerWaalsContact CG2-C 3.44Å; T768-G981 VanDerWaalsContact CG2-N 3.31Å; T768-S984 WeakPolarHBondContact CG2-O 3.24Å; T768-S984 PolarHBondContact OG1-O 3.15Å; T768-P987 WeakPolarHBondContact OG1-CG 3.24Å |
| 769 | S | 95.6 | Very high | 95.5 | Very high | 12 Ų | 12 | 10 Ų | 10 | 8% | 0.084 | 5% | 0.053 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | -119.4 | 176.7 | -163.5 | 0 | 0 | 0 | 0 | 110.9 | G771 A772 A773 S964 D979 | S769-G771 VanDerWaalsContact C-N 3.33Å; S769-G771 PolarHBondContact O-N 3.34Å; S769-A772 VanDerWaalsContact O-CB 3.3Å; S769-A772 WeakPolarHBondContact O-CB 3.47Å; S769-A772 PolarHBondContact O-N 3.22Å; S769-A772 VanDerWaalsContact O-N 3.08Å; S769-A773 PolarHBondContact O-N 2.89Å; S769-S964 WeakPolarHBondContact CA-O 3.5Å; S769-S964 PolarHBondContact N-O 3.37Å; S769-S964 PolarHBondContact N-OG 3.31Å; S769-D979 WeakPolarHBondContact CB-OD1 3.1Å; S769-D979 VanDerWaalsContact CB-OD2 3.31Å; S769-D979 WeakPolarHBondContact CB-OD2 3.46Å; S769-D979 PolarHBondContact OG-OD2 3.04Å |
| 770 | T | 95.3 | Very high | 95.4 | Very high | 7 Ų | 7 | 9.1 Ų | 9.1 | 4% | 0.043 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -61.6 | -34.6 | 174.3 | -38.9 | 0 | 0 | 0 | 0 | 114.1 | G737 T768 A772 A773 I774 L791 | G737-T770 WeakPolarHBondContact CA-OG1 3.32Å; G737-T770 PolarHBondContact N-OG1 3.41Å; G737-T770 WeakPolarHBondContact O-CG2 3.37Å; G737-T770 PolarHBondContact O-OG1 3.16Å; G737-T770 VanDerWaalsContact O-OG1 3.07Å; T768-T770 PolarHBondContact O-N 2.96Å; T768-T770 VanDerWaalsContact O-N 3.13Å; T770-A772 VanDerWaalsContact C-N 3.28Å; T770-A772 PolarHBondContact O-N 3.17Å; T770-A773 PolarHBondContact O-N 3.42Å; T770-I774 HydrophobicContact CG2-CD1 4.28Å; T770-I774 VanDerWaalsContact O-CG1 3.27Å; T770-I774 WeakPolarHBondContact O-CG1 3.31Å; T770-I774 PolarHBondContact O-N 3.26Å; T770-L791 HydrophobicContact CG2-CD1 4.24Å; T770-L791 HydrophobicContact CG2-CD2 3.55Å |
| 771 | G | 97.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -63.6 | -32.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | D734 T768 S769 S775 | D734-G771 PolarHBondContact O-N 2.91Å; T768-G771 WeakPolarHBondContact O-CA 3.24Å; T768-G771 PolarHBondContact O-N 3.37Å; S769-G771 VanDerWaalsContact C-N 3.33Å; S769-G771 PolarHBondContact O-N 3.34Å; G771-S775 WeakPolarHBondContact O-CB 3.28Å; G771-S775 PolarHBondContact O-N 3.18Å; G771-S775 PolarHBondContact O-OG 3.09Å |
| 772 | A | 97.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -68.1 | -45.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | T768 S769 T770 I774 S775 L776 V834 S964 | T768-A772 PolarHBondContact O-N 2.91Å; S769-A772 VanDerWaalsContact O-CB 3.3Å; S769-A772 WeakPolarHBondContact O-CB 3.47Å; S769-A772 PolarHBondContact O-N 3.22Å; S769-A772 VanDerWaalsContact O-N 3.08Å; T770-A772 VanDerWaalsContact C-N 3.28Å; T770-A772 PolarHBondContact O-N 3.17Å; A772-I774 PolarHBondContact O-N 3Å; A772-S775 WeakPolarHBondContact O-CB 3.35Å; A772-S775 PolarHBondContact O-N 3.48Å; A772-L776 WeakPolarHBondContact O-CG 3.31Å; A772-L776 PolarHBondContact O-N 3.48Å; A772-V834 HydrophobicContact CB-CB 4.15Å; A772-V834 HydrophobicContact CB-CG1 3.54Å; A772-V834 HydrophobicContact CB-CG2 3.78Å; A772-S964 WeakPolarHBondContact CB-OG 3.42Å |
| 773 | A | 95.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -58.2 | -47.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | S769 T770 S775 L776 F777 M814 | S769-A773 PolarHBondContact O-N 2.89Å; T770-A773 PolarHBondContact O-N 3.42Å; A773-S775 PolarHBondContact O-N 2.99Å; A773-L776 PolarHBondContact O-N 3.28Å; A773-F777 HydrophobicContact CB-CD2 4.45Å; A773-F777 HydrophobicContact CB-CE2 3.81Å; A773-F777 HydrophobicContact CB-CZ 4.13Å; A773-F777 WeakPolarHBondContact O-CD2 3.18Å; A773-F777 WeakPolarHBondContact O-CG 3.34Å; A773-F777 PolarHBondContact O-N 2.74Å; A773-M814 HydrophobicContact CB-CE 4.05Å |
| 774 | I | 96.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -57.2 | -47.1 | 175.1 | -67.7 | 163.5 | 0 | 0 | 0 | 111.2 | L733 G740 I743 V744 L747 T770 A772 L776 F777 I778 L791 | L733-I774 HydrophobicContact CD1-CB 4.27Å; L733-I774 HydrophobicContact CD1-CG2 3.83Å; G740-I774 WeakPolarHBondContact O-CD1 3.47Å; I743-I774 HydrophobicContact CB-CD1 4.07Å; I743-I774 HydrophobicContact CG2-CD1 4.01Å; I743-I774 HydrophobicContact CG2-CG2 4.42Å; V744-I774 HydrophobicContact CG2-CD1 3.95Å; V744-I774 HydrophobicContact CG2-CG1 4.15Å; L747-I774 HydrophobicContact CD1-CG2 3.95Å; T770-I774 HydrophobicContact CG2-CD1 4.28Å; T770-I774 VanDerWaalsContact O-CG1 3.27Å; T770-I774 WeakPolarHBondContact O-CG1 3.31Å; T770-I774 PolarHBondContact O-N 3.26Å; A772-I774 PolarHBondContact O-N 3Å; I774-L776 VanDerWaalsContact C-N 3.33Å; I774-L776 PolarHBondContact O-N 3.23Å; I774-F777 PolarHBondContact O-N 2.85Å; I774-I778 HydrophobicContact CG2-CD1 3.59Å; I774-I778 HydrophobicContact CG2-CG1 4.42Å; I774-I778 VanDerWaalsContact O-CG1 3.3Å; I774-I778 WeakPolarHBondContact O-CG1 3.39Å; I774-I778 PolarHBondContact O-N 3.22Å; I774-L791 HydrophobicContact CD1-CD1 3.89Å; I774-L791 HydrophobicContact CG1-CD1 3.88Å |
| 775 | S | 96.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -55.6 | -47.9 | 177.4 | -59.3 | 0 | 0 | 0 | 0 | 111.6 | I765 G771 A772 A773 I779 | I765-S775 WeakPolarHBondContact CG2-OG 3.47Å; G771-S775 WeakPolarHBondContact O-CB 3.28Å; G771-S775 PolarHBondContact O-N 3.18Å; G771-S775 PolarHBondContact O-OG 3.09Å; A772-S775 WeakPolarHBondContact O-CB 3.35Å; A772-S775 PolarHBondContact O-N 3.48Å; A773-S775 PolarHBondContact O-N 2.99Å; S775-I779 WeakPolarHBondContact O-CB 3.31Å; S775-I779 WeakPolarHBondContact O-CD1 3.48Å; S775-I779 WeakPolarHBondContact O-CG1 3.41Å; S775-I779 PolarHBondContact O-N 2.99Å; S775-I779 VanDerWaalsContact O-N 3.13Å |
| 776 | L | 96 | Very high | 94.1 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -69.6 | -41.3 | -179 | -66.2 | 173.1 | 0 | 0 | 0 | 112.2 | A772 A773 I774 I778 I779 S780 F818 M824 L827 V832 V834 I957 A961 | A772-L776 WeakPolarHBondContact O-CG 3.31Å; A772-L776 PolarHBondContact O-N 3.48Å; A773-L776 PolarHBondContact O-N 3.28Å; I774-L776 VanDerWaalsContact C-N 3.33Å; I774-L776 PolarHBondContact O-N 3.23Å; L776-I778 PolarHBondContact O-N 3.02Å; L776-I779 PolarHBondContact O-N 3.03Å; L776-S780 VanDerWaalsContact O-CB 3.29Å; L776-S780 WeakPolarHBondContact O-CB 3.45Å; L776-S780 PolarHBondContact O-N 2.94Å; L776-S780 PolarHBondContact O-OG 2.99Å; L776-F818 HydrophobicContact CB-CE1 3.75Å; L776-F818 HydrophobicContact CB-CE2 4.28Å; L776-F818 HydrophobicContact CB-CZ 3.41Å; L776-F818 VanDerWaalsContact CB-CZ 3.41Å; L776-F818 HydrophobicContact CD1-CZ 4.42Å; L776-M824 HydrophobicContact CD2-CE 4.12Å; L776-M824 HydrophobicContact CD2-SD 4.12Å; L776-L827 HydrophobicContact CD2-CD1 3.81Å; L776-V832 HydrophobicContact CD2-CG1 4.17Å; L776-V832 HydrophobicContact CD2-CG2 4.39Å; L776-V834 HydrophobicContact CD1-CG2 4.03Å; L776-V834 HydrophobicContact CD2-CG2 4.18Å; L776-V834 HydrophobicContact CG-CG2 4.04Å; L776-I957 HydrophobicContact CB-CG2 4.29Å; L776-I957 HydrophobicContact CD1-CG2 3.85Å; L776-I957 HydrophobicContact CD2-CG2 3.99Å; L776-I957 HydrophobicContact CG-CG2 4.26Å; L776-A961 HydrophobicContact CD1-CB 3.78Å |
| 777 | F | 94.3 | Very high | 93.9 | Very high | 1 Ų | 1 | 11.1 Ų | 11.1 | 0% | 0.004 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -59.6 | -46.8 | 176.7 | -62.7 | -39.4 | 0 | 0 | 0 | 112 | A773 I774 S780 G781 K782 L790 F794 M814 E817 F818 | A773-F777 HydrophobicContact CB-CD2 4.45Å; A773-F777 HydrophobicContact CB-CE2 3.81Å; A773-F777 HydrophobicContact CB-CZ 4.13Å; A773-F777 WeakPolarHBondContact O-CD2 3.18Å; A773-F777 WeakPolarHBondContact O-CG 3.34Å; A773-F777 PolarHBondContact O-N 2.74Å; I774-F777 PolarHBondContact O-N 2.85Å; F777-S780 PolarHBondContact O-N 3.26Å; F777-G781 PolarHBondContact O-N 3.12Å; F777-K782 HydrophobicContact CB-CB 4.24Å; F777-K782 HydrophobicContact CB-CG 4.18Å; F777-K782 VanDerWaalsContact O-CB 3.32Å; F777-K782 WeakPolarHBondContact O-CB 3.33Å; F777-K782 WeakPolarHBondContact O-CG 3.33Å; F777-K782 PolarHBondContact O-N 3.1Å; F777-L790 HydrophobicContact CD1-CD2 3.88Å; F777-L790 HydrophobicContact CD2-CD2 3.98Å; F777-L790 HydrophobicContact CE1-CD2 3.55Å; F777-L790 HydrophobicContact CE2-CD2 3.64Å; F777-L790 HydrophobicContact CE2-CG 4.25Å; F777-L790 HydrophobicContact CG-CD2 4.12Å; F777-L790 HydrophobicContact CZ-CD2 3.43Å; F777-L790 VanDerWaalsContact CZ-CD2 3.43Å; F777-L790 HydrophobicContact CZ-CG 4.19Å; F777-F794 HydrophobicContact CE2-CZ 4.49Å; F777-F794 HydrophobicContact CZ-CZ 4.42Å; F777-M814 HydrophobicContact CE1-SD 4.15Å; F777-M814 HydrophobicContact CZ-CE 4.03Å; F777-M814 HydrophobicContact CZ-SD 4Å; F777-E817 HydrophobicContact CE1-CB 4.13Å; F777-F818 AromaticContact CD1-CE1 3.66Å; F777-F818 HydrophobicContact CD1-CE1 3.66Å; F777-F818 HydrophobicContact CD1-CE2 4.14Å; F777-F818 AromaticContact CD1-CZ 3.29Å; F777-F818 HydrophobicContact CD1-CZ 3.29Å; F777-F818 HydrophobicContact CE1-CE1 4.13Å; F777-F818 AromaticContact CE1-CE2 3.77Å; F777-F818 HydrophobicContact CE1-CE2 3.77Å; F777-F818 AromaticContact CE1-CZ 3.39Å; F777-F818 HydrophobicContact CE1-CZ 3.39Å; F777-F818 HydrophobicContact CG-CZ 4.26Å; F777-F818 HydrophobicContact CZ-CZ 4.44Å |
| 778 | I | 94.2 | Very high | 93.7 | Very high | 10 Ų | 10 | 11.2 Ų | 11.2 | 5% | 0.051 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -62.9 | -47.2 | 179.6 | -69.2 | 168.3 | 0 | 0 | 0 | 110.9 | L747 I758 T759 I774 L776 S780 G781 L784 | L747-I778 HydrophobicContact CD1-CD1 3.75Å; I758-I778 HydrophobicContact CB-CG2 4.15Å; I758-I778 HydrophobicContact CG2-CG2 4.21Å; T759-I778 HydrophobicContact CG2-CG2 3.66Å; I774-I778 HydrophobicContact CG2-CD1 3.59Å; I774-I778 HydrophobicContact CG2-CG1 4.42Å; I774-I778 VanDerWaalsContact O-CG1 3.3Å; I774-I778 WeakPolarHBondContact O-CG1 3.39Å; I774-I778 PolarHBondContact O-N 3.22Å; L776-I778 PolarHBondContact O-N 3.02Å; I778-S780 VanDerWaalsContact C-N 3.33Å; I778-S780 PolarHBondContact O-N 2.83Å; I778-G781 PolarHBondContact O-N 3.28Å; I778-L784 HydrophobicContact CD1-CD2 3.54Å; I778-L784 HydrophobicContact CG1-CD2 3.96Å |
| 779 | I | 92.3 | Very high | 93.3 | Very high | 11 Ų | 11 | 11.9 Ų | 11.9 | 6% | 0.056 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -69.9 | -30.9 | -177.5 | -66.1 | 174.2 | 0 | 0 | 0 | 111.6 | I765 S775 L776 G781 L827 T829 V832 | I765-I779 HydrophobicContact CB-CD1 4.31Å; I765-I779 HydrophobicContact CD1-CD1 4.04Å; I765-I779 HydrophobicContact CD1-CG1 4.21Å; S775-I779 WeakPolarHBondContact O-CB 3.31Å; S775-I779 WeakPolarHBondContact O-CD1 3.48Å; S775-I779 WeakPolarHBondContact O-CG1 3.41Å; S775-I779 PolarHBondContact O-N 2.99Å; S775-I779 VanDerWaalsContact O-N 3.13Å; L776-I779 PolarHBondContact O-N 3.03Å; I779-G781 PolarHBondContact O-N 3.11Å; I779-L827 HydrophobicContact CG2-CB 3.95Å; I779-L827 HydrophobicContact CG2-CD1 4.06Å; I779-L827 HydrophobicContact CG2-CD2 4.23Å; I779-L827 HydrophobicContact CG2-CG 4.3Å; I779-T829 WeakPolarHBondContact CG2-OG1 3.17Å; I779-V832 HydrophobicContact CD1-CB 3.57Å; I779-V832 HydrophobicContact CD1-CG1 4.38Å; I779-V832 HydrophobicContact CD1-CG2 3.58Å |
| 780 | S | 90.8 | Very high | 93.1 | Very high | 26 Ų | 26 | 11.4 Ų | 11.4 | 18% | 0.182 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -2.5 | 169.6 | -67.6 | 0 | 0 | 0 | 0 | 114.2 | L776 F777 I778 | L776-S780 VanDerWaalsContact O-CB 3.29Å; L776-S780 WeakPolarHBondContact O-CB 3.45Å; L776-S780 PolarHBondContact O-N 2.94Å; L776-S780 PolarHBondContact O-OG 2.99Å; F777-S780 PolarHBondContact O-N 3.26Å; I778-S780 VanDerWaalsContact C-N 3.33Å; I778-S780 PolarHBondContact O-N 2.83Å |
| 781 | G | 89.2 | Confident | 93 | Very high | 49 Ų | 49 | 11.1 Ų | 11.1 | 51% | 0.505 | 7% | 0.073 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 98.1 | 14.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | F777 I778 I779 | F777-G781 PolarHBondContact O-N 3.12Å; I778-G781 PolarHBondContact O-N 3.28Å; I779-G781 PolarHBondContact O-N 3.11Å |
| 782 | K | 89.8 | Confident | 92.7 | Very high | 31 Ų | 31 | 11.1 Ų | 11.1 | 14% | 0.135 | 7% | 0.073 | C | C | . | . | trans | -75.7 | 141.5 | 168.6 | -53.8 | -71.7 | 173.4 | 164.5 | 0 | 109.4 | F777 C786 E817 | F777-K782 HydrophobicContact CB-CB 4.24Å; F777-K782 HydrophobicContact CB-CG 4.18Å; F777-K782 VanDerWaalsContact O-CB 3.32Å; F777-K782 WeakPolarHBondContact O-CB 3.33Å; F777-K782 WeakPolarHBondContact O-CG 3.33Å; F777-K782 PolarHBondContact O-N 3.1Å; K782-C786 HydrophobicContact CB-CB 4.18Å; K782-E817 WeakPolarHBondContact CE-OE2 3.28Å; K782-E817 IonicContact NZ-OE2 3.12Å; K782-E817 PolarHBondContact NZ-OE2 3.4Å | ||
| 783 | C | 91.6 | Very high | 92.3 | Very high | 15 Ų | 15 | 14.2 Ų | 14.2 | 10% | 0.101 | 9% | 0.085 | C | C | . | . | trans | -80 | 167.7 | 170.4 | 75.9 | 0 | 0 | 0 | 0 | 111 | C632 H785 C786 C787 | C632-C783 PolarHBondContact SG-SG 3.09Å; C783-H785 VanDerWaalsContact C-N 3.32Å; C783-H785 PolarHBondContact O-N 3.22Å; C783-C786 WeakPolarHBondContact O-CB 3.13Å; C783-C786 PolarHBondContact O-N 2.91Å; C783-C786 VanDerWaalsContact O-N 3.15Å; C783-C786 PolarHBondContact SG-N 3.17Å; C783-C786 VanDerWaalsContact SG-N 3.4Å; C783-C787 PolarHBondContact O-N 3.3Å; C783-C787 PolarHBondContact O-SG 2.82Å | ||
| 784 | L | 93.1 | Very high | 92.1 | Very high | 2 Ų | 2 | 14.9 Ų | 14.9 | 1% | 0.01 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -66.2 | -29.8 | 179.6 | -66 | 175.9 | 0 | 0 | 0 | 113.6 | V744 L747 R748 E751 I758 I778 C787 R788 | V744-L784 HydrophobicContact CG1-CB 4.12Å; V744-L784 HydrophobicContact CG1-CD2 4.38Å; V744-L784 VanDerWaalsContact CG1-O 3.22Å; V744-L784 WeakPolarHBondContact CG1-O 3.42Å; L747-L784 HydrophobicContact CB-CD1 3.59Å; L747-L784 HydrophobicContact CB-CD2 3.92Å; L747-L784 HydrophobicContact CB-CG 4.45Å; L747-L784 HydrophobicContact CD1-CD2 4.13Å; R748-L784 VanDerWaalsContact CA-CD1 3.5Å; R748-L784 HydrophobicContact CB-CD1 4.08Å; E751-L784 HydrophobicContact CG-CD1 3.81Å; E751-L784 WeakPolarHBondContact OE2-CD1 3.36Å; I758-L784 HydrophobicContact CG1-CD1 4.22Å; I778-L784 HydrophobicContact CD1-CD2 3.54Å; I778-L784 HydrophobicContact CG1-CD2 3.96Å; L784-C787 WeakPolarHBondContact O-CB 3.45Å; L784-C787 PolarHBondContact O-N 2.95Å; L784-C787 VanDerWaalsContact O-N 3.15Å; L784-R788 PolarHBondContact O-N 3.21Å |
| 785 | H | 88.2 | Confident | 91.8 | Very high | 40 Ų | 40 | 15.9 Ų | 15.9 | 19% | 0.185 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61 | -45.8 | 170.7 | -178.3 | 119.2 | 0 | 0 | 0 | 110.9 | C783 C787 R788 T789 | C783-H785 VanDerWaalsContact C-N 3.32Å; C783-H785 PolarHBondContact O-N 3.22Å; H785-C787 VanDerWaalsContact C-N 3.29Å; H785-C787 PolarHBondContact O-N 2.95Å; H785-R788 PolarHBondContact ND1-NH2 2.75Å; H785-R788 PolarHBondContact O-N 2.94Å; H785-T789 PolarHBondContact O-N 2.98Å; H785-T789 PolarHBondContact O-OG1 2.94Å |
| 786 | C | 88.8 | Confident | 91.3 | Very high | 30 Ų | 30 | 20 Ų | 20 | 20% | 0.203 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.2 | -37 | 172.4 | -77 | 0 | 0 | 0 | 0 | 112.4 | C634 K782 C783 R788 T789 L790 | C634-C786 PolarHBondContact SG-SG 2.75Å; K782-C786 HydrophobicContact CB-CB 4.18Å; C783-C786 WeakPolarHBondContact O-CB 3.13Å; C783-C786 PolarHBondContact O-N 2.91Å; C783-C786 VanDerWaalsContact O-N 3.15Å; C783-C786 PolarHBondContact SG-N 3.17Å; C783-C786 VanDerWaalsContact SG-N 3.4Å; C786-R788 VanDerWaalsContact C-N 3.33Å; C786-T789 WeakPolarHBondContact CA-OG1 3.44Å; C786-T789 PolarHBondContact O-N 3.31Å; C786-T789 PolarHBondContact O-OG1 3.36Å; C786-L790 WeakPolarHBondContact O-CB 3.44Å; C786-L790 PolarHBondContact O-N 2.96Å |
| 787 | C | 93.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.1 | -39.5 | 176 | -61.2 | 0 | 0 | 0 | 0 | 111.2 | V744 C783 L784 H785 L791 | V744-C787 HydrophobicContact CG1-CB 4.16Å; V744-C787 HydrophobicContact CG2-CB 3.91Å; C783-C787 PolarHBondContact O-N 3.3Å; C783-C787 PolarHBondContact O-SG 2.82Å; L784-C787 WeakPolarHBondContact O-CB 3.45Å; L784-C787 PolarHBondContact O-N 2.95Å; L784-C787 VanDerWaalsContact O-N 3.15Å; H785-C787 VanDerWaalsContact C-N 3.29Å; H785-C787 PolarHBondContact O-N 2.95Å; C787-L791 VanDerWaalsContact O-CB 3.3Å; C787-L791 WeakPolarHBondContact O-CB 3.38Å; C787-L791 VanDerWaalsContact O-CG 3.22Å; C787-L791 WeakPolarHBondContact O-CG 3.4Å; C787-L791 PolarHBondContact O-N 3.46Å |
| 788 | R | 93.8 | Very high | 90.7 | Very high | 2 Ų | 2 | 23.9 Ų | 23.9 | 1% | 0.008 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.4 | -53.8 | 172.7 | 176.7 | 175.4 | 57.4 | -124.7 | -11.7 | 111.5 | A387 F388 E389 L741 V744 L784 H785 C786 L790 L791 F792 | A387-R788 WeakPolarHBondContact O-CD 3.1Å; A387-R788 PolarHBondContact O-NE 3.27Å; A387-R788 PolarHBondContact O-NH1 3.47Å; F388-R788 HydrophobicContact CE1-CG 4.15Å; F388-R788 HydrophobicContact CZ-CG 4.35Å; E389-R788 IonicContact OE1-CZ 3.86Å; E389-R788 IonicContact OE1-NH1 3.44Å; E389-R788 PolarHBondContact OE1-NH1 2.92Å; E389-R788 IonicContact OE1-NH2 2.58Å; E389-R788 PolarHBondContact OE1-NH2 3.15Å; L741-R788 HydrophobicContact CD2-CG 4.1Å; V744-R788 HydrophobicContact CG1-CB 4.14Å; L784-R788 PolarHBondContact O-N 3.21Å; H785-R788 PolarHBondContact ND1-NH2 2.75Å; H785-R788 PolarHBondContact O-N 2.94Å; C786-R788 VanDerWaalsContact C-N 3.33Å; R788-L790 VanDerWaalsContact C-N 3.32Å; R788-L790 PolarHBondContact O-N 3.49Å; R788-L791 PolarHBondContact O-N 3.29Å; R788-F792 WeakPolarHBondContact O-CB 3.47Å; R788-F792 PolarHBondContact O-N 2.95Å |
| 789 | T | 90.1 | Very high | 90.6 | Very high | 13 Ų | 13 | 24.3 Ų | 24.3 | 8% | 0.08 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.2 | -34.5 | -177.5 | 55.8 | 0 | 0 | 0 | 0 | 112.7 | V353 F388 H785 C786 R793 | V353-T789 VanDerWaalsContact O-CB 3.31Å; V353-T789 WeakPolarHBondContact O-CB 3.24Å; V353-T789 WeakPolarHBondContact O-CG2 3.45Å; F388-T789 HydrophobicContact CD1-CG2 4.47Å; F388-T789 HydrophobicContact CE1-CG2 3.98Å; H785-T789 PolarHBondContact O-N 2.98Å; H785-T789 PolarHBondContact O-OG1 2.94Å; C786-T789 WeakPolarHBondContact CA-OG1 3.44Å; C786-T789 PolarHBondContact O-N 3.31Å; C786-T789 PolarHBondContact O-OG1 3.36Å; T789-R793 VanDerWaalsContact O-CG 3.31Å; T789-R793 WeakPolarHBondContact O-CG 3.39Å; T789-R793 PolarHBondContact O-N 3.3Å; T789-R793 PolarHBondContact O-NE 3.45Å |
| 790 | L | 90.1 | Very high | 90.3 | Very high | 3 Ų | 3 | 26.9 Ų | 26.9 | 2% | 0.016 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -68.2 | -49.4 | 173.9 | 179.9 | 54.5 | 0 | 0 | 0 | 112.1 | F777 C786 R788 F792 R793 F794 L813 E817 | F777-L790 HydrophobicContact CD1-CD2 3.88Å; F777-L790 HydrophobicContact CD2-CD2 3.98Å; F777-L790 HydrophobicContact CE1-CD2 3.55Å; F777-L790 HydrophobicContact CE2-CD2 3.64Å; F777-L790 HydrophobicContact CE2-CG 4.25Å; F777-L790 HydrophobicContact CG-CD2 4.12Å; F777-L790 HydrophobicContact CZ-CD2 3.43Å; F777-L790 VanDerWaalsContact CZ-CD2 3.43Å; F777-L790 HydrophobicContact CZ-CG 4.19Å; C786-L790 WeakPolarHBondContact O-CB 3.44Å; C786-L790 PolarHBondContact O-N 2.96Å; R788-L790 VanDerWaalsContact C-N 3.32Å; R788-L790 PolarHBondContact O-N 3.49Å; L790-F792 PolarHBondContact O-N 3.1Å; L790-R793 PolarHBondContact O-N 2.99Å; L790-F794 HydrophobicContact CD1-CE1 4.2Å; L790-F794 HydrophobicContact CG-CE1 4.14Å; L790-F794 WeakPolarHBondContact O-CD1 3.36Å; L790-L813 HydrophobicContact CD1-CD1 3.82Å; L790-L813 HydrophobicContact CD1-CD2 3.9Å; L790-L813 HydrophobicContact CD1-CG 4.02Å; L790-E817 HydrophobicContact CD1-CG 4.18Å; L790-E817 WeakPolarHBondContact CD1-OE1 3.22Å; L790-E817 HydrophobicContact CD2-CG 3.88Å |
| 791 | L | 92.9 | Very high | 90.1 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.2 | -38.2 | 177.3 | -72 | 177.6 | 0 | 0 | 0 | 112.5 | M738 L741 V744 T770 I774 C787 R788 R793 F794 | M738-L791 WeakPolarHBondContact CE-O 3.37Å; L741-L791 HydrophobicContact CD2-CB 3.8Å; L741-L791 HydrophobicContact CD2-CD1 4.44Å; L741-L791 HydrophobicContact CG-CB 4.26Å; V744-L791 HydrophobicContact CG2-CD1 3.71Å; T770-L791 HydrophobicContact CG2-CD1 4.24Å; T770-L791 HydrophobicContact CG2-CD2 3.55Å; I774-L791 HydrophobicContact CD1-CD1 3.89Å; I774-L791 HydrophobicContact CG1-CD1 3.88Å; C787-L791 VanDerWaalsContact O-CB 3.3Å; C787-L791 WeakPolarHBondContact O-CB 3.38Å; C787-L791 VanDerWaalsContact O-CG 3.22Å; C787-L791 WeakPolarHBondContact O-CG 3.4Å; C787-L791 PolarHBondContact O-N 3.46Å; R788-L791 PolarHBondContact O-N 3.29Å; L791-R793 VanDerWaalsContact C-N 3.27Å; L791-R793 PolarHBondContact O-N 3.43Å; L791-F794 HydrophobicContact CD2-CD2 4.21Å; L791-F794 HydrophobicContact CD2-CE1 4.22Å; L791-F794 HydrophobicContact CD2-CE2 3.79Å; L791-F794 HydrophobicContact CD2-CZ 3.8Å; L791-F794 VanDerWaalsContact O-CB 3.28Å; L791-F794 WeakPolarHBondContact O-CB 3.27Å; L791-F794 PolarHBondContact O-N 3.37Å |
| 792 | F | 91.4 | Very high | 90 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63 | -36.2 | 179 | -143.1 | -80.2 | 0 | 0 | 0 | 111.5 | L349 V353 F388 L741 R788 L790 F794 K795 L1103 L1104 I1107 | L349-F792 HydrophobicContact CD1-CE1 3.97Å; L349-F792 HydrophobicContact CD1-CZ 4.22Å; L349-F792 HydrophobicContact CD2-CE1 4.2Å; L349-F792 HydrophobicContact CG-CE1 4.49Å; V353-F792 HydrophobicContact CG2-CB 4.24Å; V353-F792 HydrophobicContact CG2-CD1 3.67Å; V353-F792 HydrophobicContact CG2-CE1 4.32Å; V353-F792 HydrophobicContact CG2-CG 4.09Å; F388-F792 HydrophobicContact CE2-CD2 4.4Å; F388-F792 HydrophobicContact CE2-CE2 4.45Å; F388-F792 HydrophobicContact CZ-CB 4.47Å; F388-F792 HydrophobicContact CZ-CD2 4.11Å; F388-F792 HydrophobicContact CZ-CG 4.2Å; L741-F792 HydrophobicContact CD1-CD2 3.77Å; L741-F792 HydrophobicContact CD1-CE2 4.16Å; L741-F792 HydrophobicContact CD2-CD2 4.28Å; R788-F792 WeakPolarHBondContact O-CB 3.47Å; R788-F792 PolarHBondContact O-N 2.95Å; L790-F792 PolarHBondContact O-N 3.1Å; F792-F794 PolarHBondContact O-N 2.7Å; F792-K795 HydrophobicContact CD1-CD 4.17Å; F792-K795 HydrophobicContact CE1-CD 4.03Å; F792-K795 WeakPolarHBondContact O-CG 3.41Å; F792-K795 PolarHBondContact O-N 3.47Å; F792-L1103 HydrophobicContact CE1-CD1 4.46Å; F792-L1103 HydrophobicContact CE2-CB 3.84Å; F792-L1103 HydrophobicContact CE2-CD1 4.39Å; F792-L1103 HydrophobicContact CZ-CB 3.89Å; F792-L1103 HydrophobicContact CZ-CD1 4.15Å; F792-L1104 HydrophobicContact CE2-CD2 4.25Å; F792-L1104 HydrophobicContact CZ-CD2 4.26Å; F792-L1104 HydrophobicContact CZ-CG 4.2Å; F792-I1107 HydrophobicContact CD2-CD1 4.44Å; F792-I1107 HydrophobicContact CE2-CD1 4.15Å |
| 793 | R | 89.1 | Confident | 89.9 | Confident | 65 Ų | 65 | 39.2 Ų | 39.2 | 25% | 0.245 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.4 | -15.2 | 174.1 | -72.3 | 178.7 | -69 | 148 | -0.9 | 114.3 | V353 T789 L790 L791 K795 D796 L797 E817 | V353-R793 HydrophobicContact CG1-CG 3.45Å; V353-R793 VanDerWaalsContact CG1-CG 3.45Å; T789-R793 VanDerWaalsContact O-CG 3.31Å; T789-R793 WeakPolarHBondContact O-CG 3.39Å; T789-R793 PolarHBondContact O-N 3.3Å; T789-R793 PolarHBondContact O-NE 3.45Å; L790-R793 PolarHBondContact O-N 2.99Å; L791-R793 VanDerWaalsContact C-N 3.27Å; L791-R793 PolarHBondContact O-N 3.43Å; R793-K795 PolarHBondContact O-N 2.97Å; R793-D796 PolarHBondContact O-N 2.93Å; R793-D796 VanDerWaalsContact O-N 3.16Å; R793-L797 HydrophobicContact CB-CD1 3.96Å; R793-L797 HydrophobicContact CB-CG 4.39Å; R793-L797 WeakPolarHBondContact O-CB 3.35Å; R793-L797 WeakPolarHBondContact O-CG 3.23Å; R793-L797 PolarHBondContact O-N 3.45Å; R793-E817 IonicContact NH2-OE1 3.62Å |
| 794 | F | 91.6 | Very high | 89.8 | Confident | 14 Ų | 14 | 41.2 Ų | 41.2 | 6% | 0.061 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.1 | -29.4 | 177 | -76.1 | 23.5 | 0 | 0 | 0 | 111.8 | M738 F777 L790 L791 F792 D796 I798 F799 L813 M814 | M738-F794 HydrophobicContact SD-CB 3.71Å; F777-F794 HydrophobicContact CE2-CZ 4.49Å; F777-F794 HydrophobicContact CZ-CZ 4.42Å; L790-F794 HydrophobicContact CD1-CE1 4.2Å; L790-F794 HydrophobicContact CG-CE1 4.14Å; L790-F794 WeakPolarHBondContact O-CD1 3.36Å; L791-F794 HydrophobicContact CD2-CD2 4.21Å; L791-F794 HydrophobicContact CD2-CE1 4.22Å; L791-F794 HydrophobicContact CD2-CE2 3.79Å; L791-F794 HydrophobicContact CD2-CZ 3.8Å; L791-F794 VanDerWaalsContact O-CB 3.28Å; L791-F794 WeakPolarHBondContact O-CB 3.27Å; L791-F794 PolarHBondContact O-N 3.37Å; F792-F794 PolarHBondContact O-N 2.7Å; F794-D796 VanDerWaalsContact C-N 3.31Å; F794-D796 PolarHBondContact O-N 3.12Å; F794-I798 HydrophobicContact CB-CD1 4.03Å; F794-I798 HydrophobicContact CD1-CD1 3.7Å; F794-I798 HydrophobicContact CD2-CD1 3.81Å; F794-I798 HydrophobicContact CE1-CD1 4.07Å; F794-I798 HydrophobicContact CE2-CD1 4.16Å; F794-I798 HydrophobicContact CG-CD1 3.57Å; F794-I798 HydrophobicContact CZ-CD1 4.28Å; F794-I798 WeakPolarHBondContact O-CA 3Å; F794-I798 WeakPolarHBondContact O-CB 3.4Å; F794-I798 PolarHBondContact O-N 2.86Å; F794-F799 HydrophobicContact CB-CD2 4.41Å; F794-F799 HydrophobicContact CB-CE2 4.1Å; F794-F799 PolarHBondContact O-N 3.28Å; F794-F799 VanDerWaalsContact O-N 3.12Å; F794-L813 HydrophobicContact CD1-CD2 3.75Å; F794-L813 HydrophobicContact CE1-CD2 3.48Å; F794-L813 VanDerWaalsContact CE1-CD2 3.48Å; F794-L813 HydrophobicContact CZ-CD2 4.38Å; F794-M814 HydrophobicContact CE2-CE 4.44Å; F794-M814 HydrophobicContact CZ-CE 3.91Å |
| 795 | K | 89.4 | Confident | 89.8 | Confident | 20 Ų | 20 | 42 Ų | 42 | 9% | 0.087 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.6 | -36.2 | 177.9 | 83.3 | -175.2 | -178.4 | 62.6 | 0 | 113.2 | M738 F792 R793 T1098 S1100 L1103 | M738-K795 HydrophobicContact CE-CB 4.01Å; F792-K795 HydrophobicContact CD1-CD 4.17Å; F792-K795 HydrophobicContact CE1-CD 4.03Å; F792-K795 WeakPolarHBondContact O-CG 3.41Å; F792-K795 PolarHBondContact O-N 3.47Å; R793-K795 PolarHBondContact O-N 2.97Å; K795-T1098 HydrophobicContact CB-CG2 4.07Å; K795-S1100 WeakPolarHBondContact CE-OG 3.38Å; K795-L1103 HydrophobicContact CD-CD1 4.32Å |
| 796 | D | 87.1 | Confident | 89.9 | Confident | 88 Ų | 88 | 42.8 Ų | 42.8 | 47% | 0.471 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -99.1 | -23.9 | -174.1 | -55.7 | -58.7 | 0 | 0 | 0 | 112.7 | R793 F794 C800 | R793-D796 PolarHBondContact O-N 2.93Å; R793-D796 VanDerWaalsContact O-N 3.16Å; F794-D796 VanDerWaalsContact C-N 3.31Å; F794-D796 PolarHBondContact O-N 3.12Å; D796-C800 PolarHBondContact O-SG 2.67Å |
| 797 | L | 87.6 | Confident | 90 | Very high | 80 Ų | 80 | 42.4 Ų | 42.4 | 42% | 0.419 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -97.2 | -34 | -179.3 | -61.7 | 179.9 | 0 | 0 | 0 | 113.5 | R793 P809 L813 | R793-L797 HydrophobicContact CB-CD1 3.96Å; R793-L797 HydrophobicContact CB-CG 4.39Å; R793-L797 WeakPolarHBondContact O-CB 3.35Å; R793-L797 WeakPolarHBondContact O-CG 3.23Å; R793-L797 PolarHBondContact O-N 3.45Å; L797-P809 WeakPolarHBondContact O-CB 3.39Å; L797-L813 HydrophobicContact CD1-CD1 4.14Å; L797-L813 HydrophobicContact CD1-CD2 4.44Å |
| 798 | I | 90.9 | Very high | 90 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.3 | -45.5 | -167.1 | -59.5 | 166 | 0 | 0 | 0 | 112.3 | F794 C800 L810 L813 F971 | F794-I798 HydrophobicContact CB-CD1 4.03Å; F794-I798 HydrophobicContact CD1-CD1 3.7Å; F794-I798 HydrophobicContact CD2-CD1 3.81Å; F794-I798 HydrophobicContact CE1-CD1 4.07Å; F794-I798 HydrophobicContact CE2-CD1 4.16Å; F794-I798 HydrophobicContact CG-CD1 3.57Å; F794-I798 HydrophobicContact CZ-CD1 4.28Å; F794-I798 WeakPolarHBondContact O-CA 3Å; F794-I798 WeakPolarHBondContact O-CB 3.4Å; F794-I798 PolarHBondContact O-N 2.86Å; I798-C800 PolarHBondContact O-N 3.44Å; I798-L810 HydrophobicContact CD1-CB 4.3Å; I798-L810 HydrophobicContact CD1-CD1 3.8Å; I798-L810 HydrophobicContact CG1-CB 4.34Å; I798-L810 HydrophobicContact CG2-CB 4.01Å; I798-L813 HydrophobicContact CD1-CD2 3.71Å; I798-L813 HydrophobicContact CG1-CD2 4.45Å; I798-F971 HydrophobicContact CG2-CE1 3.57Å; I798-F971 HydrophobicContact CG2-CZ 3.48Å; I798-F971 VanDerWaalsContact CG2-CZ 3.48Å |
| 799 | F | 90.8 | Very high | 90 | Very high | 19 Ų | 19 | 49.7 Ų | 49.7 | 8% | 0.083 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -82.8 | 32 | -176.3 | -60.3 | -54.7 | 0 | 0 | 0 | 114 | M738 F794 Y805 F971 D1096 T1098 | M738-F799 HydrophobicContact CG-CD2 4.12Å; M738-F799 HydrophobicContact CG-CE2 3.74Å; M738-F799 HydrophobicContact SD-CD2 4Å; M738-F799 HydrophobicContact SD-CE2 3.63Å; F794-F799 HydrophobicContact CB-CD2 4.41Å; F794-F799 HydrophobicContact CB-CE2 4.1Å; F794-F799 PolarHBondContact O-N 3.28Å; F794-F799 VanDerWaalsContact O-N 3.12Å; F799-Y805 HydrophobicContact CB-CE2 4.31Å; F799-Y805 AromaticContact CD1-CD2 3.84Å; F799-Y805 HydrophobicContact CD1-CD2 3.84Å; F799-Y805 AromaticContact CD1-CE2 3.65Å; F799-Y805 HydrophobicContact CD1-CE2 3.65Å; F799-Y805 HydrophobicContact CG-CE2 4.45Å; F799-Y805 WeakPolarHBondContact O-CE1 3.26Å; F799-Y805 PolarHBondContact O-OH 3.45Å; F799-F971 HydrophobicContact CD1-CZ 4.27Å; F799-F971 AromaticContact CE1-CE2 3.99Å; F799-F971 HydrophobicContact CE1-CE2 3.99Å; F799-F971 AromaticContact CE1-CZ 3.63Å; F799-F971 HydrophobicContact CE1-CZ 3.63Å; F799-F971 HydrophobicContact CZ-CZ 4.4Å; F799-D1096 HydrophobicContact CB-CB 4.42Å; F799-D1096 HydrophobicContact CD1-CB 3.67Å; F799-D1096 HydrophobicContact CD2-CB 4.27Å; F799-D1096 HydrophobicContact CE1-CB 3.92Å; F799-D1096 HydrophobicContact CE2-CB 4.5Å; F799-D1096 HydrophobicContact CG-CB 3.86Å; F799-D1096 HydrophobicContact CZ-CB 4.33Å; F799-T1098 HydrophobicContact CB-CG2 3.92Å |
| 800 | C | 86.4 | Confident | 90.1 | Very high | 65 Ų | 65 | 49.3 Ų | 49.3 | 44% | 0.439 | 26% | 0.264 | S | S | . | . | trans | -94.5 | 130.8 | -176.1 | -78.6 | 0 | 0 | 0 | 0 | 112.7 | D796 I798 Y805 | D796-C800 PolarHBondContact O-SG 2.67Å; I798-C800 PolarHBondContact O-N 3.44Å; C800-Y805 WeakPolarHBondContact O-CD1 3.39Å | ||
| 801 | G | 86.9 | Confident | 90.3 | Very high | 69 Ų | 69 | 51.2 Ų | 51.2 | 71% | 0.711 | 27% | 0.273 | S | S | * | . | S | Bend | trans | 98.9 | -142.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 802 | K | 86.8 | Confident | 90.3 | Very high | 189 Ų | 189 | 56.8 Ų | 56.8 | 82% | 0.822 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -114.3 | 143 | -177.6 | -67.6 | -179.3 | 179.3 | 177.5 | 0 | 110.4 | P804 | K802-P804 CarbonylContact O-C 3.55Š|
| 803 | R | 88 | Confident | 90.3 | Very high | 107 Ų | 107 | 57.4 Ų | 57.4 | 40% | 0.404 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -68.3 | 147.3 | 176.5 | -58.5 | -166.6 | -161.5 | 160.9 | 1.9 | 112.1 | Y805 T969 D1096 | R803-Y805 HydrophobicContact CG-CD2 4.16Å; R803-Y805 HydrophobicContact CG-CE1 4.47Å; R803-Y805 HydrophobicContact CG-CE2 3.6Å; R803-T969 VanDerWaalsContact CD-O 3.31Å; R803-T969 WeakPolarHBondContact CD-O 3.24Å; R803-D1096 IonicContact CZ-OD1 3.16Å; R803-D1096 IonicContact CZ-OD2 2.74Å; R803-D1096 IonicContact NE-OD2 2.75Å; R803-D1096 PolarHBondContact NE-OD2 3.47Å; R803-D1096 IonicContact NH2-OD1 2.72Å; R803-D1096 PolarHBondContact NH2-OD1 2.9Å; R803-D1096 IonicContact NH2-OD2 2.62Å; R803-D1096 PolarHBondContact NH2-OD2 3.23Å |
| 804 | P | 90 | Very high | 90.5 | Very high | 57 Ų | 57 | 54.3 Ų | 54.3 | 37% | 0.37 | 29% | 0.292 | S | S | . | . | S | Bend | cis | -68.6 | 134.5 | -11.8 | 30.2 | -34 | 0 | 0 | 0 | 110.3 | K802 Y970 | K802-P804 CarbonylContact O-C 3.55Å; P804-Y970 CarbonylContact C-O 3.49Å; P804-Y970 WeakPolarHBondContact CA-O 3.4Å |
| 805 | Y | 91.9 | Very high | 90.7 | Very high | 19 Ų | 19 | 58 Ų | 58 | 8% | 0.075 | 31% | 0.305 | C | S | . | . | B | Isolated β-bridge | trans | -62.2 | 150.7 | -178.5 | -65 | -67.6 | 0 | 0 | 0 | 111.8 | F799 C800 R803 Y970 D1096 | F799-Y805 HydrophobicContact CB-CE2 4.31Å; F799-Y805 AromaticContact CD1-CD2 3.84Å; F799-Y805 HydrophobicContact CD1-CD2 3.84Å; F799-Y805 AromaticContact CD1-CE2 3.65Å; F799-Y805 HydrophobicContact CD1-CE2 3.65Å; F799-Y805 HydrophobicContact CG-CE2 4.45Å; F799-Y805 WeakPolarHBondContact O-CE1 3.26Å; F799-Y805 PolarHBondContact O-OH 3.45Å; C800-Y805 WeakPolarHBondContact O-CD1 3.39Å; R803-Y805 HydrophobicContact CG-CD2 4.16Å; R803-Y805 HydrophobicContact CG-CE1 4.47Å; R803-Y805 HydrophobicContact CG-CE2 3.6Å; Y805-Y970 WeakPolarHBondContact CB-O 3.36Å; Y805-Y970 VanDerWaalsContact CD2-O 3.31Å; Y805-Y970 WeakPolarHBondContact CD2-O 3.36Å; Y805-Y970 HydrophobicContact CE2-CD1 4.33Å; Y805-Y970 PolarHBondContact N-O 3.02Å; Y805-D1096 HydrophobicContact CE2-CB 4.4Å; Y805-D1096 PolarHBondContact OH-OD2 3.39Å |
| 806 | P | 91.7 | Very high | 90.7 | Very high | 57 Ų | 57 | 62.9 Ų | 62.9 | 37% | 0.37 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -56 | 131.8 | 169.7 | 24.3 | -33.4 | 0 | 0 | 0 | 109.9 | E808 P809 | P806-E808 VanDerWaalsContact C-N 3.29Å; P806-E808 WeakPolarHBondContact CB-OE2 3.43Å; P806-P809 HydrophobicContact CG-CG 4.32Å; P806-P809 WeakPolarHBondContact O-CD 3.43Å |
| 807 | P | 90.6 | Very high | 90.8 | Very high | 21 Ų | 21 | 60.3 Ų | 60.3 | 14% | 0.136 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -74 | -20.9 | 177.2 | 31.7 | -38 | 0 | 0 | 0 | 113.3 | L810 E811 R962 | P807-L810 PolarHBondContact O-N 3.34Å; P807-E811 WeakPolarHBondContact O-CG 3.49Å; P807-E811 PolarHBondContact O-N 3.06Å; P807-R962 VanDerWaalsContact CB-NH2 3.28Å |
| 808 | E | 93.5 | Very high | 91 | Very high | 115 Ų | 115 | 57.2 Ų | 57.2 | 54% | 0.537 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.7 | -42.2 | -169.7 | -59.6 | 74.1 | -162.4 | 0 | 0 | 113.7 | P806 L810 E811 M812 | P806-E808 VanDerWaalsContact C-N 3.29Å; P806-E808 WeakPolarHBondContact CB-OE2 3.43Å; E808-L810 PolarHBondContact O-N 3.34Å; E808-E811 PolarHBondContact O-N 2.93Å; E808-M812 WeakPolarHBondContact O-CG 3.32Å; E808-M812 PolarHBondContact O-N 2.89Å |
| 809 | P | 93.1 | Very high | 91 | Very high | 41 Ų | 41 | 58.3 Ų | 58.3 | 27% | 0.266 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.3 | -35.2 | 178.2 | -21.1 | 34.1 | 0 | 0 | 0 | 113.3 | L797 P806 L813 | L797-P809 WeakPolarHBondContact O-CB 3.39Å; P806-P809 HydrophobicContact CG-CG 4.32Å; P806-P809 WeakPolarHBondContact O-CD 3.43Å; P809-L813 WeakPolarHBondContact O-CB 3.43Å; P809-L813 PolarHBondContact O-N 3.14Å |
| 810 | L | 91.7 | Very high | 91 | Very high | 4 Ų | 4 | 61.1 Ų | 61.1 | 2% | 0.021 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.9 | -39.1 | 173.1 | 174 | 61.1 | 0 | 0 | 0 | 110.8 | I798 P807 E808 M814 F971 | I798-L810 HydrophobicContact CD1-CB 4.3Å; I798-L810 HydrophobicContact CD1-CD1 3.8Å; I798-L810 HydrophobicContact CG1-CB 4.34Å; I798-L810 HydrophobicContact CG2-CB 4.01Å; P807-L810 PolarHBondContact O-N 3.34Å; E808-L810 PolarHBondContact O-N 3.34Å; L810-M814 HydrophobicContact CD1-CE 3.66Å; L810-M814 HydrophobicContact CD1-CG 4.09Å; L810-M814 WeakPolarHBondContact O-CB 3.43Å; L810-M814 WeakPolarHBondContact O-CG 3.16Å; L810-M814 PolarHBondContact O-N 2.94Å; L810-M814 VanDerWaalsContact O-N 3.11Å; L810-F971 HydrophobicContact CD2-CD1 4.39Å; L810-F971 HydrophobicContact CD2-CD2 4.48Å; L810-F971 HydrophobicContact CD2-CE1 4.11Å; L810-F971 HydrophobicContact CD2-CE2 4.21Å; L810-F971 HydrophobicContact CD2-CZ 4.01Å |
| 811 | E | 94.4 | Very high | 91.2 | Very high | 43 Ų | 43 | 65 Ų | 65 | 20% | 0.201 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -71.3 | -39.4 | 178.3 | -70.8 | -176.5 | -150.9 | 0 | 0 | 112.5 | P807 E808 R815 W958 R962 | P807-E811 WeakPolarHBondContact O-CG 3.49Å; P807-E811 PolarHBondContact O-N 3.06Å; E808-E811 PolarHBondContact O-N 2.93Å; E811-R815 WeakPolarHBondContact O-CB 3.45Å; E811-R815 WeakPolarHBondContact O-CD 3.42Å; E811-R815 WeakPolarHBondContact O-CG 3.33Å; E811-R815 PolarHBondContact O-N 3.49Å; E811-W958 HydrophobicContact CB-CZ3 4.38Å; E811-W958 HydrophobicContact CG-CZ3 4.23Å; E811-R962 HydrophobicContact CG-CB 4.36Å; E811-R962 VanDerWaalsContact CG-CD 3.44Å; E811-R962 HydrophobicContact CG-CG 3.6Å; E811-R962 IonicContact OE1-CZ 3.59Å; E811-R962 IonicContact OE1-NE 3.75Å; E811-R962 PolarHBondContact OE1-NE 3.24Å; E811-R962 IonicContact OE1-NH2 2.7Å |
| 812 | M | 94.1 | Very high | 91.4 | Very high | 118 Ų | 118 | 64.1 Ų | 64.1 | 58% | 0.581 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -60.6 | -52.9 | 171.2 | -73.7 | -178.2 | 65.6 | 0 | 0 | 111.1 | E808 M814 R815 D816 | E808-M812 WeakPolarHBondContact O-CG 3.32Å; E808-M812 PolarHBondContact O-N 2.89Å; M812-M814 VanDerWaalsContact C-N 3.26Å; M812-M814 PolarHBondContact O-N 3.39Å; M812-R815 CarbonylContact O-C 3.54Å; M812-R815 WeakPolarHBondContact O-CA 3.4Å; M812-R815 WeakPolarHBondContact O-CB 3.47Å; M812-R815 PolarHBondContact O-N 2.88Å; M812-D816 VanDerWaalsContact O-CG 3.29Å; M812-D816 PolarHBondContact O-N 3.31Å |
| 813 | L | 91.7 | Very high | 91.7 | Very high | 13 Ų | 13 | 56.5 Ų | 56.5 | 7% | 0.068 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.8 | -37.9 | -178.4 | -170.8 | 66 | 0 | 0 | 0 | 112.6 | L790 F794 L797 I798 P809 E817 | L790-L813 HydrophobicContact CD1-CD1 3.82Å; L790-L813 HydrophobicContact CD1-CD2 3.9Å; L790-L813 HydrophobicContact CD1-CG 4.02Å; F794-L813 HydrophobicContact CD1-CD2 3.75Å; F794-L813 HydrophobicContact CE1-CD2 3.48Å; F794-L813 VanDerWaalsContact CE1-CD2 3.48Å; F794-L813 HydrophobicContact CZ-CD2 4.38Å; L797-L813 HydrophobicContact CD1-CD1 4.14Å; L797-L813 HydrophobicContact CD1-CD2 4.44Å; I798-L813 HydrophobicContact CD1-CD2 3.71Å; I798-L813 HydrophobicContact CG1-CD2 4.45Å; P809-L813 WeakPolarHBondContact O-CB 3.43Å; P809-L813 PolarHBondContact O-N 3.14Å; L813-E817 WeakPolarHBondContact O-CB 3.28Å; L813-E817 VanDerWaalsContact O-CG 3.27Å; L813-E817 WeakPolarHBondContact O-CG 3.49Å; L813-E817 PolarHBondContact O-N 2.93Å; L813-E817 VanDerWaalsContact O-N 3.12Å |
| 814 | M | 93.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -72.4 | -31 | 176.1 | -65.2 | -68.9 | 173.3 | 0 | 0 | 112.4 | A773 F777 F794 L810 M812 F818 W958 A961 | A773-M814 HydrophobicContact CB-CE 4.05Å; F777-M814 HydrophobicContact CE1-SD 4.15Å; F777-M814 HydrophobicContact CZ-CE 4.03Å; F777-M814 HydrophobicContact CZ-SD 4Å; F794-M814 HydrophobicContact CE2-CE 4.44Å; F794-M814 HydrophobicContact CZ-CE 3.91Å; L810-M814 HydrophobicContact CD1-CE 3.66Å; L810-M814 HydrophobicContact CD1-CG 4.09Å; L810-M814 WeakPolarHBondContact O-CB 3.43Å; L810-M814 WeakPolarHBondContact O-CG 3.16Å; L810-M814 PolarHBondContact O-N 2.94Å; L810-M814 VanDerWaalsContact O-N 3.11Å; M812-M814 VanDerWaalsContact C-N 3.26Å; M812-M814 PolarHBondContact O-N 3.39Å; M814-F818 HydrophobicContact CB-CD2 4.39Å; M814-F818 WeakPolarHBondContact O-CB 3.22Å; M814-F818 WeakPolarHBondContact O-CD2 3.47Å; M814-F818 PolarHBondContact O-N 3.1Å; M814-F818 VanDerWaalsContact O-N 3.15Å; M814-F818 HydrophobicContact SD-CD2 4.33Å; M814-F818 HydrophobicContact SD-CE2 3.69Å; M814-W958 HydrophobicContact CB-CB 3.78Å; M814-W958 VanDerWaalsContact O-CB 3.32Å; M814-W958 WeakPolarHBondContact O-CB 3.41Å; M814-A961 HydrophobicContact CE-CB 4.47Å; M814-A961 HydrophobicContact CG-CB 4.37Å; M814-A961 HydrophobicContact SD-CB 3.77Å |
| 815 | R | 94.3 | Very high | 91.9 | Very high | 92 Ų | 92 | 50.1 Ų | 50.1 | 35% | 0.347 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -72.7 | -39.5 | 172.7 | -70.5 | 162.8 | -176.8 | -112.1 | 16.4 | 112 | E811 M812 E817 G819 D820 W958 | E811-R815 WeakPolarHBondContact O-CB 3.45Å; E811-R815 WeakPolarHBondContact O-CD 3.42Å; E811-R815 WeakPolarHBondContact O-CG 3.33Å; E811-R815 PolarHBondContact O-N 3.49Å; M812-R815 CarbonylContact O-C 3.54Å; M812-R815 WeakPolarHBondContact O-CA 3.4Å; M812-R815 WeakPolarHBondContact O-CB 3.47Å; M812-R815 PolarHBondContact O-N 2.88Å; R815-E817 VanDerWaalsContact C-N 3.34Å; R815-E817 PolarHBondContact O-N 3.35Å; R815-G819 WeakPolarHBondContact O-CA 3.49Å; R815-G819 PolarHBondContact O-N 3.24Å; R815-D820 VanDerWaalsContact CD-OD1 3.23Å; R815-D820 WeakPolarHBondContact CD-OD1 3.41Å; R815-D820 VanDerWaalsContact CG-OD1 3.28Å; R815-D820 WeakPolarHBondContact CG-OD1 3.49Å; R815-D820 IonicContact CZ-OD1 2.83Å; R815-D820 IonicContact NE-OD1 3.94Å; R815-D820 IonicContact NH1-OD1 2.71Å; R815-D820 PolarHBondContact NH1-OD1 3.05Å; R815-W958 HydrophobicContact CG-CB 4.2Å; R815-W958 HydrophobicContact CG-CD2 3.65Å; R815-W958 HydrophobicContact CG-CE3 4.06Å; R815-W958 HydrophobicContact CG-CG 3.7Å |
| 816 | D | 90.7 | Very high | 91.8 | Very high | 123 Ų | 123 | 52.9 Ų | 52.9 | 66% | 0.658 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -64.2 | -39.1 | 177.2 | -65.2 | -27.2 | 0 | 0 | 0 | 111.5 | M812 | M812-D816 VanDerWaalsContact O-CG 3.29Å; M812-D816 PolarHBondContact O-N 3.31Å |
| 817 | E | 89.4 | Confident | 91.7 | Very high | 34 Ų | 34 | 50.9 Ų | 50.9 | 16% | 0.159 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -86 | -21.9 | -176.4 | -65.7 | -75.5 | -173.1 | 0 | 0 | 114 | F777 K782 L790 R793 L813 R815 | F777-E817 HydrophobicContact CE1-CB 4.13Å; K782-E817 WeakPolarHBondContact CE-OE2 3.28Å; K782-E817 IonicContact NZ-OE2 3.12Å; K782-E817 PolarHBondContact NZ-OE2 3.4Å; L790-E817 HydrophobicContact CD1-CG 4.18Å; L790-E817 WeakPolarHBondContact CD1-OE1 3.22Å; L790-E817 HydrophobicContact CD2-CG 3.88Å; R793-E817 IonicContact NH2-OE1 3.62Å; L813-E817 WeakPolarHBondContact O-CB 3.28Å; L813-E817 VanDerWaalsContact O-CG 3.27Å; L813-E817 WeakPolarHBondContact O-CG 3.49Å; L813-E817 PolarHBondContact O-N 2.93Å; L813-E817 VanDerWaalsContact O-N 3.12Å; R815-E817 VanDerWaalsContact C-N 3.34Å; R815-E817 PolarHBondContact O-N 3.35Å |
| 818 | F | 91 | Very high | 91.3 | Very high | 14 Ų | 14 | 55 Ų | 55 | 6% | 0.061 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -118.3 | -18.4 | -179.6 | -60.7 | -54.8 | 0 | 0 | 0 | 116.2 | L776 F777 M814 T822 I957 W958 A961 | L776-F818 HydrophobicContact CB-CE1 3.75Å; L776-F818 HydrophobicContact CB-CE2 4.28Å; L776-F818 HydrophobicContact CB-CZ 3.41Å; L776-F818 VanDerWaalsContact CB-CZ 3.41Å; L776-F818 HydrophobicContact CD1-CZ 4.42Å; F777-F818 AromaticContact CD1-CE1 3.66Å; F777-F818 HydrophobicContact CD1-CE1 3.66Å; F777-F818 HydrophobicContact CD1-CE2 4.14Å; F777-F818 AromaticContact CD1-CZ 3.29Å; F777-F818 HydrophobicContact CD1-CZ 3.29Å; F777-F818 HydrophobicContact CE1-CE1 4.13Å; F777-F818 AromaticContact CE1-CE2 3.77Å; F777-F818 HydrophobicContact CE1-CE2 3.77Å; F777-F818 AromaticContact CE1-CZ 3.39Å; F777-F818 HydrophobicContact CE1-CZ 3.39Å; F777-F818 HydrophobicContact CG-CZ 4.26Å; F777-F818 HydrophobicContact CZ-CZ 4.44Å; M814-F818 HydrophobicContact CB-CD2 4.39Å; M814-F818 WeakPolarHBondContact O-CB 3.22Å; M814-F818 WeakPolarHBondContact O-CD2 3.47Å; M814-F818 PolarHBondContact O-N 3.1Å; M814-F818 VanDerWaalsContact O-N 3.15Å; M814-F818 HydrophobicContact SD-CD2 4.33Å; M814-F818 HydrophobicContact SD-CE2 3.69Å; F818-T822 WeakPolarHBondContact O-CB 3.35Å; F818-T822 PolarHBondContact O-OG1 3.25Å; F818-T822 VanDerWaalsContact O-OG1 3.09Å; F818-I957 HydrophobicContact CB-CB 4.16Å; F818-I957 HydrophobicContact CB-CG2 4.12Å; F818-I957 HydrophobicContact CD1-CG2 3.77Å; F818-I957 HydrophobicContact CD2-CG2 3.78Å; F818-I957 HydrophobicContact CE1-CG2 4.07Å; F818-I957 HydrophobicContact CE2-CG2 4.07Å; F818-I957 HydrophobicContact CG-CB 4.22Å; F818-I957 HydrophobicContact CG-CG2 3.63Å; F818-I957 HydrophobicContact CZ-CG2 4.22Å; F818-W958 HydrophobicContact CD2-CB 4.34Å; F818-A961 HydrophobicContact CE2-CB 4.1Å |
| 819 | G | 90.6 | Very high | 90.7 | Very high | 25 Ų | 25 | 53.3 Ų | 53.3 | 26% | 0.258 | 28% | 0.283 | S | S | . | . | trans | 82.7 | 143.3 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | R815 N821 | R815-G819 WeakPolarHBondContact O-CA 3.49Å; R815-G819 PolarHBondContact O-N 3.24Å; G819-N821 VanDerWaalsContact C-N 3.3Å; G819-N821 PolarHBondContact O-N 2.95Å | ||
| 820 | D | 90.9 | Very high | 90.6 | Very high | 77 Ų | 77 | 51.7 Ų | 51.7 | 41% | 0.412 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -37.2 | -178.4 | -77.7 | -54.7 | 0 | 0 | 0 | 114.3 | R815 W958 | R815-D820 VanDerWaalsContact CD-OD1 3.23Å; R815-D820 WeakPolarHBondContact CD-OD1 3.41Å; R815-D820 VanDerWaalsContact CG-OD1 3.28Å; R815-D820 WeakPolarHBondContact CG-OD1 3.49Å; R815-D820 IonicContact CZ-OD1 2.83Å; R815-D820 IonicContact NE-OD1 3.94Å; R815-D820 IonicContact NH1-OD1 2.71Å; R815-D820 PolarHBondContact NH1-OD1 3.05Å; D820-W958 PolarHBondContact O-NE1 2.96Å |
| 821 | N | 90.6 | Very high | 90.7 | Very high | 146 Ų | 146 | 52.5 Ų | 52.5 | 78% | 0.781 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.4 | -4.2 | -166.4 | -64.9 | -44.6 | 0 | 0 | 0 | 114 | G819 V823 | G819-N821 VanDerWaalsContact C-N 3.3Å; G819-N821 PolarHBondContact O-N 2.95Å; N821-V823 PolarHBondContact O-N 2.81Å |
| 822 | T | 91.3 | Very high | 90.7 | Very high | 51 Ų | 51 | 50.5 Ų | 50.5 | 31% | 0.313 | 27% | 0.265 | S | S | . | . | trans | -76.6 | 121.4 | -177.5 | -49.9 | 0 | 0 | 0 | 0 | 109.8 | F818 D826 P956 I957 | F818-T822 WeakPolarHBondContact O-CB 3.35Å; F818-T822 PolarHBondContact O-OG1 3.25Å; F818-T822 VanDerWaalsContact O-OG1 3.09Å; T822-D826 HydrophobicContact CG2-CB 4.15Å; T822-P956 WeakPolarHBondContact O-CA 3.5Å; T822-I957 HydrophobicContact CG2-CD1 3.64Å; T822-I957 WeakPolarHBondContact O-CG1 3.26Å; T822-I957 PolarHBondContact O-N 2.55Å | ||
| 823 | V | 93.1 | Very high | 90.8 | Very high | 30 Ų | 30 | 44.9 Ų | 44.9 | 18% | 0.182 | 24% | 0.237 | C | C | . | . | B | Isolated β-bridge | trans | -96.9 | 156.8 | -174.7 | -65.2 | 0 | 0 | 0 | 0 | 112.4 | N821 T825 D826 H955 | N821-V823 PolarHBondContact O-N 2.81Å; V823-T825 PolarHBondContact O-N 2.79Å; V823-T825 VanDerWaalsContact O-N 3.15Å; V823-D826 WeakPolarHBondContact CG2-OD2 3.4Å; V823-D826 PolarHBondContact N-OD2 3.44Å; V823-D826 WeakPolarHBondContact O-CB 3.44Å; V823-D826 PolarHBondContact O-N 2.84Å; V823-H955 CarbonylContact C-O 3.55Å; V823-H955 WeakPolarHBondContact CA-O 3.41Å; V823-H955 WeakPolarHBondContact CB-O 3.18Å |
| 824 | M | 91.8 | Very high | 91 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -49.7 | -43.2 | -178.7 | -71.4 | -66.6 | -66.8 | 0 | 0 | 112.7 | L776 D826 L827 V832 F849 R850 N851 H955 I957 A960 | L776-M824 HydrophobicContact CD2-CE 4.12Å; L776-M824 HydrophobicContact CD2-SD 4.12Å; M824-D826 PolarHBondContact O-N 2.96Å; M824-D826 VanDerWaalsContact O-N 3.17Å; M824-L827 WeakPolarHBondContact O-CB 3.33Å; M824-L827 PolarHBondContact O-N 3.41Å; M824-L827 VanDerWaalsContact O-N 3.14Å; M824-V832 HydrophobicContact CE-CG1 3.79Å; M824-F849 HydrophobicContact CE-CB 4.24Å; M824-R850 VanDerWaalsContact CB-O 3.31Å; M824-R850 WeakPolarHBondContact CB-O 3.35Å; M824-N851 WeakPolarHBondContact O-CB 3.32Å; M824-H955 HydrophobicContact CG-CB 4.16Å; M824-H955 PolarHBondContact N-O 2.71Å; M824-I957 HydrophobicContact SD-CB 4.46Å; M824-I957 HydrophobicContact SD-CG1 4.06Å; M824-I957 HydrophobicContact SD-CG2 4.48Å; M824-A960 HydrophobicContact CG-CB 4.43Å; M824-A960 HydrophobicContact SD-CB 3.91Å |
| 825 | T | 90.6 | Very high | 91.2 | Very high | 30 Ų | 30 | 44.2 Ų | 44.2 | 18% | 0.184 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -69.9 | -5 | -179.7 | 50.7 | 0 | 0 | 0 | 0 | 115 | V823 K828 N953 | V823-T825 PolarHBondContact O-N 2.79Å; V823-T825 VanDerWaalsContact O-N 3.15Å; T825-K828 WeakPolarHBondContact O-CE 3.47Å; T825-N953 PolarHBondContact OG1-O 3.06Å |
| 826 | D | 90.1 | Very high | 91.2 | Very high | 76 Ų | 76 | 39.9 Ų | 39.9 | 41% | 0.406 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -75.8 | -24 | 168.8 | -75.4 | -42.4 | 0 | 0 | 0 | 113.4 | T822 V823 M824 K828 | T822-D826 HydrophobicContact CG2-CB 4.15Å; V823-D826 WeakPolarHBondContact CG2-OD2 3.4Å; V823-D826 PolarHBondContact N-OD2 3.44Å; V823-D826 WeakPolarHBondContact O-CB 3.44Å; V823-D826 PolarHBondContact O-N 2.84Å; M824-D826 PolarHBondContact O-N 2.96Å; M824-D826 VanDerWaalsContact O-N 3.17Å; D826-K828 WeakPolarHBondContact O-CG 3.49Å; D826-K828 PolarHBondContact O-N 2.84Å; D826-K828 IonicContact OD1-NZ 3.14Å; D826-K828 PolarHBondContact OD1-NZ 3.03Å |
| 827 | L | 88.2 | Confident | 91.4 | Very high | 16 Ų | 16 | 34.7 Ų | 34.7 | 8% | 0.084 | 19% | 0.19 | C | C | . | . | trans | -71.4 | 94.8 | 173.1 | -56.3 | -178.2 | 0 | 0 | 0 | 109.5 | W721 L776 I779 M824 V832 N851 I957 | W721-L827 WeakPolarHBondContact CH2-O 3.32Å; L776-L827 HydrophobicContact CD2-CD1 3.81Å; I779-L827 HydrophobicContact CG2-CB 3.95Å; I779-L827 HydrophobicContact CG2-CD1 4.06Å; I779-L827 HydrophobicContact CG2-CD2 4.23Å; I779-L827 HydrophobicContact CG2-CG 4.3Å; M824-L827 WeakPolarHBondContact O-CB 3.33Å; M824-L827 PolarHBondContact O-N 3.41Å; M824-L827 VanDerWaalsContact O-N 3.14Å; L827-V832 HydrophobicContact CD1-CG1 4.16Å; L827-N851 HydrophobicContact CB-CB 4.34Å; L827-N851 PolarHBondContact O-ND2 3.41Å; L827-I957 HydrophobicContact CD1-CD1 3.95Å; L827-I957 HydrophobicContact CD1-CG1 4.37Å; L827-I957 HydrophobicContact CD2-CD1 3.85Å; L827-I957 HydrophobicContact CG-CD1 3.79Å | ||
| 828 | K | 82.7 | Confident | 91.5 | Very high | 106 Ų | 106 | 33 Ų | 33 | 46% | 0.461 | 18% | 0.182 | S | C | . | . | trans | -107 | 14.9 | -171.8 | -68.9 | 155.8 | -166.2 | 152.9 | 0 | 114.3 | W721 T825 D826 | W721-K828 VanDerWaalsContact CZ3-C 3.5Å; T825-K828 WeakPolarHBondContact O-CE 3.47Å; D826-K828 WeakPolarHBondContact O-CG 3.49Å; D826-K828 PolarHBondContact O-N 2.84Å; D826-K828 IonicContact OD1-NZ 3.14Å; D826-K828 PolarHBondContact OD1-NZ 3.03Å | ||
| 829 | T | 81.8 | Confident | 91.4 | Very high | 80 Ų | 80 | 34.7 Ų | 34.7 | 49% | 0.491 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -92.1 | -56.7 | -175.1 | 40.7 | 0 | 0 | 0 | 0 | 113 | I779 | I779-T829 WeakPolarHBondContact CG2-OG1 3.17Š|
| 830 | I | 90.5 | Very high | 91.3 | Very high | 7 Ų | 7 | 36 Ų | 36 | 4% | 0.036 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -133.5 | 145.1 | 178.3 | -70.8 | 164.8 | 0 | 0 | 0 | 109.8 | W721 T759 F762 I765 V832 N851 | W721-I830 VanDerWaalsContact CE3-C 3.5Å; W721-I830 VanDerWaalsContact CZ3-O 3.3Å; W721-I830 WeakPolarHBondContact CZ3-O 3.27Å; T759-I830 VanDerWaalsContact CA-CD1 3.4Å; T759-I830 HydrophobicContact CG2-CD1 4.27Å; T759-I830 WeakPolarHBondContact O-CD1 3.49Å; F762-I830 WeakPolarHBondContact O-CD1 3.43Å; F762-I830 VanDerWaalsContact O-CG1 3.31Å; F762-I830 WeakPolarHBondContact O-CG1 3.47Å; I765-I830 HydrophobicContact CD1-CD1 4.22Å; I765-I830 HydrophobicContact CD1-CG2 4.27Å; I765-I830 HydrophobicContact CG1-CG2 3.92Å; I830-V832 PolarHBondContact O-N 3.02Å; I830-N851 PolarHBondContact O-ND2 3.07Å |
| 831 | R | 94.1 | Very high | 91.1 | Very high | 22 Ų | 22 | 33.9 Ų | 33.9 | 8% | 0.083 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 119.7 | 171.7 | -70.8 | -172 | -172.1 | 86.5 | -4.9 | 109.8 | W721 W764 I765 N851 Y852 | W721-R831 HydrophobicContact CD2-CG 4.28Å; W721-R831 HydrophobicContact CE3-CG 4.41Å; W764-R831 CarbonylContact C-O 3.52Å; W764-R831 WeakPolarHBondContact CA-O 3.08Å; W764-R831 HydrophobicContact CB-CB 4.34Å; W764-R831 HydrophobicContact CD2-CB 4.04Å; W764-R831 HydrophobicContact CG-CB 3.76Å; I765-R831 PolarHBondContact N-O 3.5Å; R831-N851 WeakPolarHBondContact CA-OD1 3.5Å; R831-Y852 HydrophobicContact CB-CD1 3.59Å; R831-Y852 HydrophobicContact CB-CE1 3.68Å; R831-Y852 HydrophobicContact CG-CD1 3.74Å; R831-Y852 HydrophobicContact CG-CE1 4.27Å; R831-Y852 HydrophobicContact CG-CG 4.37Å |
| 832 | V | 95.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 135.4 | 176.1 | 77.7 | 0 | 0 | 0 | 0 | 111.4 | I765 L776 I779 M824 L827 I830 R850 N851 Y852 | I765-V832 VanDerWaalsContact O-CA 3.28Å; I765-V832 WeakPolarHBondContact O-CA 3.4Å; L776-V832 HydrophobicContact CD2-CG1 4.17Å; L776-V832 HydrophobicContact CD2-CG2 4.39Å; I779-V832 HydrophobicContact CD1-CB 3.57Å; I779-V832 HydrophobicContact CD1-CG1 4.38Å; I779-V832 HydrophobicContact CD1-CG2 3.58Å; M824-V832 HydrophobicContact CE-CG1 3.79Å; L827-V832 HydrophobicContact CD1-CG1 4.16Å; I830-V832 PolarHBondContact O-N 3.02Å; V832-R850 WeakPolarHBondContact O-CA 3.4Å; V832-N851 HydrophobicContact CG1-CB 4.18Å; V832-N851 PolarHBondContact N-OD1 2.89Å; V832-N851 PolarHBondContact O-N 2.64Å; V832-N851 PolarHBondContact O-OD1 3.05Å; V832-Y852 WeakPolarHBondContact O-CE1 3.29Å |
| 833 | A | 95.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 145.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | I765 I766 G767 M848 F849 R850 Y852 | I765-A833 PolarHBondContact O-N 3.44Å; I765-A833 VanDerWaalsContact O-N 3.08Å; I766-A833 WeakPolarHBondContact CA-O 3.23Å; I766-A833 HydrophobicContact CB-CB 4.32Å; I766-A833 HydrophobicContact CD1-CB 3.83Å; I766-A833 HydrophobicContact CG1-CB 3.81Å; G767-A833 PolarHBondContact N-O 2.91Å; G767-A833 VanDerWaalsContact N-O 3.09Å; A833-M848 HydrophobicContact CB-CB 4.49Å; A833-M848 HydrophobicContact CB-CE 4.04Å; A833-F849 CarbonylContact C-O 3.44Å; A833-F849 WeakPolarHBondContact CA-O 3.23Å; A833-R850 HydrophobicContact CB-CG 4.43Å; A833-Y852 WeakPolarHBondContact CB-OH 3.46Å |
| 834 | V | 95.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 117.4 | 179.4 | 164.7 | 0 | 0 | 0 | 0 | 109.1 | G767 A772 L776 M848 F849 | G767-V834 WeakPolarHBondContact O-CA 3.41Å; A772-V834 HydrophobicContact CB-CB 4.15Å; A772-V834 HydrophobicContact CB-CG1 3.54Å; A772-V834 HydrophobicContact CB-CG2 3.78Å; L776-V834 HydrophobicContact CD1-CG2 4.03Å; L776-V834 HydrophobicContact CD2-CG2 4.18Å; L776-V834 HydrophobicContact CG-CG2 4.04Å; V834-M848 CarbonylContact O-C 3.6Å; V834-M848 WeakPolarHBondContact O-CA 3.44Å; V834-F849 HydrophobicContact CB-CB 4.39Å; V834-F849 HydrophobicContact CG1-CD2 4.24Å; V834-F849 PolarHBondContact N-O 3.31Å; V834-F849 PolarHBondContact O-N 3.16Å |
| 835 | T | 96.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 145 | -172.1 | 71.2 | 0 | 0 | 0 | 0 | 113.2 | I766 G767 T768 L846 M848 S964 S984 P987 | I766-T835 HydrophobicContact CD1-CG2 4.03Å; I766-T835 HydrophobicContact CG1-CG2 4.29Å; G767-T835 PolarHBondContact O-N 2.78Å; G767-T835 VanDerWaalsContact O-N 3.11Å; T768-T835 WeakPolarHBondContact CB-OG1 3.41Å; T768-T835 WeakPolarHBondContact CG2-OG1 3.42Å; T768-T835 PolarHBondContact OG1-OG1 3.32Å; T835-L846 HydrophobicContact CG2-CD1 4.19Å; T835-M848 HydrophobicContact CG2-CG 4.37Å; T835-S964 WeakPolarHBondContact O-CA 3.19Å; T835-S964 VanDerWaalsContact O-CB 3.25Å; T835-S964 WeakPolarHBondContact O-CB 3.48Å; T835-S964 PolarHBondContact O-OG 3.43Å; T835-S984 PolarHBondContact OG1-O 3.07Å; T835-P987 HydrophobicContact CG2-CB 3.84Å |
| 836 | T | 95.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 153.4 | 173.5 | -176.3 | 0 | 0 | 0 | 0 | 110.5 | H847 F849 F977 L978 | T836-H847 HydrophobicContact CG2-CB 3.99Å; T836-H847 PolarHBondContact N-O 3.45Å; T836-H847 PolarHBondContact O-N 2.99Å; T836-F849 HydrophobicContact CG2-CD2 4.08Å; T836-F849 HydrophobicContact CG2-CE2 3.38Å; T836-F849 HydrophobicContact CG2-CZ 3.81Å; T836-F977 HydrophobicContact CG2-CD1 3.65Å; T836-F977 HydrophobicContact CG2-CE1 4.08Å; T836-F977 HydrophobicContact CG2-CG 4.46Å; T836-L978 PolarHBondContact OG1-O 2.96Å |
| 837 | L | 93.9 | Very high | 90.5 | Very high | 14 Ų | 14 | 34.6 Ų | 34.6 | 7% | 0.073 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 126 | 170.6 | -177.9 | 157.2 | 0 | 0 | 0 | 109.5 | P844 F977 L978 L982 I983 | L837-P844 HydrophobicContact CD1-CB 4.17Å; L837-P844 HydrophobicContact CD1-CG 4.34Å; L837-P844 HydrophobicContact CD2-CB 3.73Å; L837-P844 HydrophobicContact CG-CB 3.97Å; L837-F977 WeakPolarHBondContact O-CA 3.42Å; L837-L978 HydrophobicContact CB-CB 4.29Å; L837-L978 HydrophobicContact CD2-CB 4.19Å; L837-L978 HydrophobicContact CD2-CD1 4.17Å; L837-L978 PolarHBondContact N-O 2.81Å; L837-L978 PolarHBondContact O-N 3.33Å; L837-L982 HydrophobicContact CD1-CB 3.64Å; L837-L982 HydrophobicContact CD1-CD1 4.24Å; L837-I983 HydrophobicContact CB-CG2 3.96Å; L837-I983 HydrophobicContact CD1-CB 4.22Å; L837-I983 HydrophobicContact CD1-CG2 4.47Å |
| 838 | V | 92.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 113.8 | 172.1 | -164.7 | 0 | 0 | 0 | 0 | 109.1 | D840 P844 I845 H847 M949 F977 | V838-D840 WeakPolarHBondContact CG1-OD1 3.32Å; V838-P844 WeakPolarHBondContact O-CB 3.44Å; V838-I845 HydrophobicContact CB-CD1 4.48Å; V838-I845 HydrophobicContact CB-CG1 3.74Å; V838-I845 HydrophobicContact CG2-CD1 4.38Å; V838-I845 HydrophobicContact CG2-CG1 3.84Å; V838-I845 PolarHBondContact N-O 3.35Å; V838-I845 PolarHBondContact O-N 2.82Å; V838-H847 HydrophobicContact CG2-CB 3.53Å; V838-M949 HydrophobicContact CG2-CE 3.9Å; V838-M949 HydrophobicContact CG2-SD 4.38Å; V838-F977 HydrophobicContact CG2-CD1 4.19Å; V838-F977 HydrophobicContact CG2-CE1 3.98Å |
| 839 | S | 89.6 | Confident | 91.3 | Very high | 48 Ų | 48 | 29.4 Ų | 29.4 | 34% | 0.336 | 18% | 0.176 | S | C | . | . | trans | -106.9 | 6.3 | -167.8 | 74.4 | 0 | 0 | 0 | 0 | 114.7 | R841 R976 | S839-R841 PolarHBondContact O-N 3.03Å; S839-R976 PolarHBondContact N-O 3.32Å; S839-R976 PolarHBondContact OG-O 2.65Å | ||
| 840 | D | 87.8 | Confident | 91.8 | Very high | 52 Ų | 52 | 25.9 Ų | 25.9 | 28% | 0.278 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -75.7 | -6.1 | 176.5 | 62.3 | 1.5 | 0 | 0 | 0 | 113.3 | V838 F946 R976 | V838-D840 WeakPolarHBondContact CG1-OD1 3.32Å; D840-F946 WeakPolarHBondContact O-CE1 3.35Å; D840-R976 HydrophobicContact CB-CB 3.89Å; D840-R976 WeakPolarHBondContact OD2-CD 3.31Å; D840-R976 IonicContact OD2-NH1 2.85Å; D840-R976 PolarHBondContact OD2-NH1 3.37Å |
| 841 | R | 86 | Confident | 91.9 | Very high | 34 Ų | 34 | 26 Ų | 26 | 13% | 0.128 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -139.1 | 158 | -173.5 | 69.1 | -161.3 | 72.3 | -162 | -8.4 | 112.6 | S839 P843 P844 F946 | S839-R841 PolarHBondContact O-N 3.03Å; R841-P843 CarbonylContact O-C 3.53Å; R841-P844 WeakPolarHBondContact O-CA 3.34Å; R841-F946 HydrophobicContact CB-CD1 4.19Å; R841-F946 HydrophobicContact CB-CE1 3.77Å; R841-F946 HydrophobicContact CB-CE2 4.31Å; R841-F946 HydrophobicContact CB-CZ 3.83Å |
| 842 | C | 84.6 | Confident | 91.8 | Very high | 125 Ų | 125 | 25.9 Ų | 25.9 | 85% | 0.845 | 15% | 0.154 | S | C | * | . | S | Bend | trans | -127.5 | 125.8 | 173.7 | -170.1 | 0 | 0 | 0 | 0 | 109.6 | ||
| 843 | P | 86.7 | Confident | 91.4 | Very high | 103 Ų | 103 | 29.1 Ų | 29.1 | 67% | 0.669 | 17% | 0.168 | S | C | * | . | S | Bend | cis | -63.9 | 146.5 | -3.7 | 29.3 | -36 | 0 | 0 | 0 | 112 | R841 | R841-P843 CarbonylContact O-C 3.53Š|
| 844 | P | 88.5 | Confident | 91.2 | Very high | 60 Ų | 60 | 29.2 Ų | 29.2 | 39% | 0.39 | 17% | 0.169 | S | C | . | . | trans | -65.7 | 156 | 173.4 | 30.1 | -35.4 | 0 | 0 | 0 | 110.4 | L837 V838 R841 | L837-P844 HydrophobicContact CD1-CB 4.17Å; L837-P844 HydrophobicContact CD1-CG 4.34Å; L837-P844 HydrophobicContact CD2-CB 3.73Å; L837-P844 HydrophobicContact CG-CB 3.97Å; V838-P844 WeakPolarHBondContact O-CB 3.44Å; R841-P844 WeakPolarHBondContact O-CA 3.34Å | ||
| 845 | I | 90.2 | Very high | 90.9 | Very high | 27 Ų | 27 | 29.3 Ų | 29.3 | 14% | 0.138 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 148.9 | -178.8 | 62.9 | 174.8 | 0 | 0 | 0 | 111.6 | V838 M949 | V838-I845 HydrophobicContact CB-CD1 4.48Å; V838-I845 HydrophobicContact CB-CG1 3.74Å; V838-I845 HydrophobicContact CG2-CD1 4.38Å; V838-I845 HydrophobicContact CG2-CG1 3.84Å; V838-I845 PolarHBondContact N-O 3.35Å; V838-I845 PolarHBondContact O-N 2.82Å; I845-M949 HydrophobicContact CD1-SD 4.14Å |
| 846 | L | 92.4 | Very high | 90.4 | Very high | 27 Ų | 27 | 30.9 Ų | 30.9 | 14% | 0.141 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 137.2 | 162.5 | 173.6 | 64.7 | 0 | 0 | 0 | 108.5 | T835 M848 I983 D990 | T835-L846 HydrophobicContact CG2-CD1 4.19Å; L846-M848 HydrophobicContact CD1-CG 4.27Å; L846-M848 HydrophobicContact CD2-CG 4.24Å; L846-M848 HydrophobicContact CD2-SD 4.18Å; L846-M848 HydrophobicContact CG-CG 4.15Å; L846-I983 HydrophobicContact CB-CD1 3.98Å; L846-I983 HydrophobicContact CB-CG1 4.31Å; L846-I983 HydrophobicContact CD1-CG2 4.07Å; L846-D990 HydrophobicContact CD2-CB 4.22Å; L846-D990 WeakPolarHBondContact CD2-OD1 3.36Å |
| 847 | H | 92.6 | Very high | 89.9 | Confident | 6 Ų | 6 | 32.9 Ų | 32.9 | 3% | 0.028 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 147.5 | 160.1 | 175.3 | 51.3 | 0 | 0 | 0 | 109.1 | T836 V838 F849 E930 M949 F977 | T836-H847 HydrophobicContact CG2-CB 3.99Å; T836-H847 PolarHBondContact N-O 3.45Å; T836-H847 PolarHBondContact O-N 2.99Å; V838-H847 HydrophobicContact CG2-CB 3.53Å; H847-F849 AromaticContact CD2-CD1 3.88Å; H847-F849 AromaticContact CD2-CE1 3.63Å; H847-F849 AromaticContact CD2-CZ 4Å; H847-F849 AromaticContact NE2-CD1 3.49Å; H847-F849 WeakPolarHBondContact NE2-CD1 3.49Å; H847-F849 AromaticContact NE2-CE1 3.55Å; H847-E930 IonicContact CE1-OE1 2.65Å; H847-E930 IonicContact CG-OE1 2.7Å; H847-E930 IonicContact ND1-OE1 3.29Å; H847-E930 PolarHBondContact ND1-OE1 3.08Å; H847-M949 HydrophobicContact CB-CE 3.9Å; H847-M949 HydrophobicContact CB-SD 4.42Å; H847-M949 VanDerWaalsContact CG-CE 3.49Å; H847-F977 AromaticContact CD2-CE1 3.89Å |
| 848 | M | 93.7 | Very high | 89.5 | Confident | 11 Ų | 11 | 33.4 Ų | 33.4 | 5% | 0.054 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 114.1 | 178.8 | -56.1 | 157.9 | 74.7 | 0 | 0 | 108 | I766 A833 V834 T835 L846 R850 E930 E994 | I766-M848 HydrophobicContact CD1-CE 3.57Å; A833-M848 HydrophobicContact CB-CB 4.49Å; A833-M848 HydrophobicContact CB-CE 4.04Å; V834-M848 CarbonylContact O-C 3.6Å; V834-M848 WeakPolarHBondContact O-CA 3.44Å; T835-M848 HydrophobicContact CG2-CG 4.37Å; L846-M848 HydrophobicContact CD1-CG 4.27Å; L846-M848 HydrophobicContact CD2-CG 4.24Å; L846-M848 HydrophobicContact CD2-SD 4.18Å; L846-M848 HydrophobicContact CG-CG 4.15Å; M848-R850 HydrophobicContact CB-CG 4.36Å; M848-R850 WeakPolarHBondContact O-CG 3.41Å; M848-R850 PolarHBondContact O-N 3.07Å; M848-R850 PolarHBondContact O-NH1 3.13Å; M848-E930 PolarHBondContact N-OE1 3.3Å; M848-E994 WeakPolarHBondContact CE-OE2 3.36Å |
| 849 | F | 94.2 | Very high | 89.1 | Confident | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.009 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 125.5 | 170.1 | -57.4 | -72.6 | 0 | 0 | 0 | 108.2 | M824 A833 V834 T836 H847 H955 A960 A963 F977 | M824-F849 HydrophobicContact CE-CB 4.24Å; A833-F849 CarbonylContact C-O 3.44Å; A833-F849 WeakPolarHBondContact CA-O 3.23Å; V834-F849 HydrophobicContact CB-CB 4.39Å; V834-F849 HydrophobicContact CG1-CD2 4.24Å; V834-F849 PolarHBondContact N-O 3.31Å; V834-F849 PolarHBondContact O-N 3.16Å; T836-F849 HydrophobicContact CG2-CD2 4.08Å; T836-F849 HydrophobicContact CG2-CE2 3.38Å; T836-F849 HydrophobicContact CG2-CZ 3.81Å; H847-F849 AromaticContact CD2-CD1 3.88Å; H847-F849 AromaticContact CD2-CE1 3.63Å; H847-F849 AromaticContact CD2-CZ 4Å; H847-F849 AromaticContact NE2-CD1 3.49Å; H847-F849 WeakPolarHBondContact NE2-CD1 3.49Å; H847-F849 AromaticContact NE2-CE1 3.55Å; F849-H955 AromaticContact CD1-CD2 3.75Å; F849-H955 AromaticContact CD1-CE1 3.93Å; F849-H955 AromaticContact CD1-CG 3.9Å; F849-H955 AromaticContact CD1-NE2 3.8Å; F849-H955 AromaticContact CE1-CD2 3.57Å; F849-H955 AromaticContact CE1-CE1 3.97Å; F849-H955 AromaticContact CE1-NE2 3.43Å; F849-H955 WeakPolarHBondContact CE1-NE2 3.33Å; F849-A960 HydrophobicContact CB-CB 3.76Å; F849-A960 HydrophobicContact CD1-CB 4.26Å; F849-A960 HydrophobicContact CD2-CB 3.63Å; F849-A960 HydrophobicContact CE2-CB 4.25Å; F849-A960 HydrophobicContact CG-CB 3.62Å; F849-A963 HydrophobicContact CE2-CB 3.63Å; F849-A963 HydrophobicContact CZ-CB 3.87Å; F849-F977 HydrophobicContact CE1-CE1 4.35Å; F849-F977 HydrophobicContact CE1-CE2 4.36Å; F849-F977 HydrophobicContact CE1-CZ 4.01Å; F849-F977 HydrophobicContact CZ-CD1 4.11Å; F849-F977 HydrophobicContact CZ-CD2 4.2Å; F849-F977 AromaticContact CZ-CE1 3.89Å; F849-F977 HydrophobicContact CZ-CE1 3.89Å; F849-F977 AromaticContact CZ-CE2 3.98Å; F849-F977 HydrophobicContact CZ-CE2 3.98Å; F849-F977 HydrophobicContact CZ-CG 4.26Å; F849-F977 AromaticContact CZ-CZ 3.82Å; F849-F977 HydrophobicContact CZ-CZ 3.82Å |
| 850 | R | 92.8 | Very high | 88.7 | Confident | 6 Ų | 6 | 32.7 Ų | 32.7 | 2% | 0.023 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 153.8 | -170.8 | -62 | 157.2 | 178.5 | 109.4 | -19.2 | 112 | M824 V832 A833 M848 Y852 E930 E994 | M824-R850 VanDerWaalsContact CB-O 3.31Å; M824-R850 WeakPolarHBondContact CB-O 3.35Å; V832-R850 WeakPolarHBondContact O-CA 3.4Å; A833-R850 HydrophobicContact CB-CG 4.43Å; M848-R850 HydrophobicContact CB-CG 4.36Å; M848-R850 WeakPolarHBondContact O-CG 3.41Å; M848-R850 PolarHBondContact O-N 3.07Å; M848-R850 PolarHBondContact O-NH1 3.13Å; R850-Y852 HydrophobicContact CB-CD1 4.41Å; R850-Y852 HydrophobicContact CB-CD2 4.34Å; R850-Y852 HydrophobicContact CB-CE1 4.27Å; R850-Y852 HydrophobicContact CB-CE2 4.22Å; R850-Y852 HydrophobicContact CB-CG 4.42Å; R850-Y852 WeakPolarHBondContact CB-O 3.3Å; R850-Y852 HydrophobicContact CG-CD2 4.41Å; R850-Y852 HydrophobicContact CG-CE1 4.34Å; R850-Y852 HydrophobicContact CG-CE2 3.85Å; R850-E930 IonicContact CZ-OE1 3.18Å; R850-E930 IonicContact CZ-OE2 3.58Å; R850-E930 VanDerWaalsContact CZ-OE2 3.32Å; R850-E930 VanDerWaalsContact NH1-CD 3.32Å; R850-E930 IonicContact NH1-OE1 3.47Å; R850-E930 PolarHBondContact NH1-OE1 3.25Å; R850-E930 IonicContact NH1-OE2 3.74Å; R850-E930 PolarHBondContact NH1-OE2 3Å; R850-E930 IonicContact NH2-OE1 2.66Å; R850-E930 IonicContact NH2-OE2 2.68Å; R850-E930 PolarHBondContact NH2-OE2 2.92Å; R850-E994 IonicContact CZ-OE1 2.78Å; R850-E994 IonicContact NE-OE1 2.77Å; R850-E994 PolarHBondContact NE-OE1 3.3Å; R850-E994 IonicContact NE-OE2 2.7Å; R850-E994 IonicContact NH2-OE1 3.76Å; R850-E994 PolarHBondContact NH2-OE1 3.34Å |
| 851 | N | 92.7 | Very high | 88.4 | Confident | 8 Ų | 8 | 35.4 Ų | 35.4 | 4% | 0.043 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -93.9 | 3.2 | 163.4 | 67.3 | -8.8 | 0 | 0 | 0 | 113.7 | W721 M824 L827 I830 R831 V832 | W721-N851 WeakPolarHBondContact CH2-ND2 3.4Å; M824-N851 WeakPolarHBondContact O-CB 3.32Å; L827-N851 HydrophobicContact CB-CB 4.34Å; L827-N851 PolarHBondContact O-ND2 3.41Å; I830-N851 PolarHBondContact O-ND2 3.07Å; R831-N851 WeakPolarHBondContact CA-OD1 3.5Å; V832-N851 HydrophobicContact CG1-CB 4.18Å; V832-N851 PolarHBondContact N-OD1 2.89Å; V832-N851 PolarHBondContact O-N 2.64Å; V832-N851 PolarHBondContact O-OD1 3.05Å |
| 852 | Y | 91 | Very high | 88.2 | Confident | 20 Ų | 20 | 35.3 Ų | 35.3 | 8% | 0.078 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -127.3 | 152.5 | 174.2 | 55.1 | -92.2 | 0 | 0 | 0 | 110.3 | W764 R831 V832 A833 R850 S854 E994 | W764-Y852 AromaticContact CE2-CE1 3.96Å; W764-Y852 AromaticContact CE2-CZ 3.67Å; W764-Y852 HydrophobicContact CZ2-CE1 4.17Å; W764-Y852 AromaticContact CZ2-CE2 3.75Å; W764-Y852 HydrophobicContact CZ2-CE2 3.75Å; W764-Y852 AromaticContact CZ2-CZ 3.5Å; W764-Y852 WeakPolarHBondContact CZ2-OH 3.39Å; W764-Y852 AromaticContact NE1-CE1 3.49Å; W764-Y852 AromaticContact NE1-CZ 3.41Å; W764-Y852 PolarHBondContact NE1-OH 3.01Å; R831-Y852 HydrophobicContact CB-CD1 3.59Å; R831-Y852 HydrophobicContact CB-CE1 3.68Å; R831-Y852 HydrophobicContact CG-CD1 3.74Å; R831-Y852 HydrophobicContact CG-CE1 4.27Å; R831-Y852 HydrophobicContact CG-CG 4.37Å; V832-Y852 WeakPolarHBondContact O-CE1 3.29Å; A833-Y852 WeakPolarHBondContact CB-OH 3.46Å; R850-Y852 HydrophobicContact CB-CD1 4.41Å; R850-Y852 HydrophobicContact CB-CD2 4.34Å; R850-Y852 HydrophobicContact CB-CE1 4.27Å; R850-Y852 HydrophobicContact CB-CE2 4.22Å; R850-Y852 HydrophobicContact CB-CG 4.42Å; R850-Y852 WeakPolarHBondContact CB-O 3.3Å; R850-Y852 HydrophobicContact CG-CD2 4.41Å; R850-Y852 HydrophobicContact CG-CE1 4.34Å; R850-Y852 HydrophobicContact CG-CE2 3.85Å; Y852-S854 PolarHBondContact O-N 3.48Å; Y852-E994 WeakPolarHBondContact CE2-OE2 3.49Å; Y852-E994 PolarHBondContact OH-OE2 2.88Å |
| 853 | K | 87.8 | Confident | 87.8 | Confident | 68 Ų | 68 | 30.2 Ų | 30.2 | 30% | 0.296 | 16% | 0.157 | S | C | . | . | trans | -65 | 126.2 | 176.1 | -64.5 | 173.9 | -177.8 | 173.4 | 0 | 110.7 | D702 R858 | D702-K853 PolarHBondContact O-NZ 3.34Å; K853-R858 HydrophobicContact CB-CG 4.43Å | ||
| 854 | S | 89.8 | Confident | 87.4 | Confident | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.014 | 14% | 0.142 | C | C | . | . | trans | -45.1 | 124.7 | 174.8 | 170.6 | 0 | 0 | 0 | 0 | 113.1 | Y852 R856 T857 R858 D952 | Y852-S854 PolarHBondContact O-N 3.48Å; S854-R856 VanDerWaalsContact C-N 3.34Å; S854-R856 PolarHBondContact O-N 2.87Å; S854-T857 PolarHBondContact O-N 2.99Å; S854-T857 PolarHBondContact OG-OG1 3.1Å; S854-R858 WeakPolarHBondContact O-CG 3.25Å; S854-R858 PolarHBondContact O-N 3.3Å; S854-D952 PolarHBondContact N-OD2 3.47Å | ||
| 855 | P | 89.7 | Confident | 86.9 | Confident | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.013 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.4 | -40.8 | 176.6 | -25.6 | 36.4 | 0 | 0 | 0 | 113.1 | T857 R858 I859 E994 E997 L998 | P855-T857 PolarHBondContact O-N 3.17Å; P855-R858 PolarHBondContact O-N 3.12Å; P855-R858 VanDerWaalsContact O-N 3.14Å; P855-I859 WeakPolarHBondContact O-CG1 3.28Å; P855-I859 PolarHBondContact O-N 3.19Å; P855-E994 VanDerWaalsContact CD-OE1 3.25Å; P855-E994 WeakPolarHBondContact CD-OE1 3.43Å; P855-E994 HydrophobicContact CG-CG 3.78Å; P855-E997 HydrophobicContact CB-CB 3.85Å; P855-L998 HydrophobicContact CB-CB 4.34Å; P855-L998 HydrophobicContact CG-CB 4.06Å; P855-L998 HydrophobicContact CG-CD1 4.44Å |
| 856 | R | 85.9 | Confident | 86 | Confident | 34 Ų | 34 | 32.1 Ų | 32.1 | 13% | 0.128 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -53.2 | -51.1 | 176.3 | -157.9 | 174.8 | -176.3 | 92.9 | -6.8 | 112.2 | S854 R858 I859 Q860 L925 G928 S929 E997 | S854-R856 VanDerWaalsContact C-N 3.34Å; S854-R856 PolarHBondContact O-N 2.87Å; R856-R858 VanDerWaalsContact C-N 3.29Å; R856-R858 PolarHBondContact O-N 3.01Å; R856-I859 WeakPolarHBondContact O-CB 3.16Å; R856-I859 PolarHBondContact O-N 3.13Å; R856-I859 VanDerWaalsContact O-N 3.15Å; R856-Q860 WeakPolarHBondContact O-CG 3.43Å; R856-Q860 PolarHBondContact O-N 3.45Å; R856-L925 PolarHBondContact NH2-O 2.7Å; R856-G928 PolarHBondContact NE-O 3.07Å; R856-G928 PolarHBondContact NH2-O 2.95Å; R856-S929 PolarHBondContact NH2-OG 2.99Å; R856-E997 WeakPolarHBondContact CB-OE2 3.47Å; R856-E997 WeakPolarHBondContact CD-OE1 3.37Å; R856-E997 WeakPolarHBondContact CG-OE1 3.42Å; R856-E997 IonicContact CZ-OE1 3.65Å; R856-E997 IonicContact NE-OE1 2.8Å; R856-E997 IonicContact NH1-OE1 3.65Å; R856-E997 PolarHBondContact NH1-OE1 3.14Å |
| 857 | T | 85 | Confident | 84.8 | Confident | 41 Ų | 41 | 36.2 Ų | 36.2 | 25% | 0.252 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -61.6 | -37.5 | 179.1 | -54 | 0 | 0 | 0 | 0 | 111.7 | S854 P855 Q860 Q861 | S854-T857 PolarHBondContact O-N 2.99Å; S854-T857 PolarHBondContact OG-OG1 3.1Å; P855-T857 PolarHBondContact O-N 3.17Å; T857-Q860 PolarHBondContact O-N 3.38Å; T857-Q861 VanDerWaalsContact O-CG 3.26Å; T857-Q861 WeakPolarHBondContact O-CG 3.38Å; T857-Q861 PolarHBondContact O-N 2.86Å |
| 858 | R | 86.5 | Confident | 83.4 | Confident | 25 Ų | 25 | 39.2 Ų | 39.2 | 9% | 0.094 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -71.8 | -33.3 | 176.3 | -64.1 | -177.4 | 75.6 | 176.3 | 8.4 | 112.9 | D700 D702 K853 S854 P855 R856 I862 L1001 | D700-R858 PolarHBondContact O-NH1 3.15Å; D700-R858 PolarHBondContact O-NH2 2.96Å; D702-R858 IonicContact OD2-NH2 3.33Å; D702-R858 PolarHBondContact OD2-NH2 3.18Å; K853-R858 HydrophobicContact CB-CG 4.43Å; S854-R858 WeakPolarHBondContact O-CG 3.25Å; S854-R858 PolarHBondContact O-N 3.3Å; P855-R858 PolarHBondContact O-N 3.12Å; P855-R858 VanDerWaalsContact O-N 3.14Å; R856-R858 VanDerWaalsContact C-N 3.29Å; R856-R858 PolarHBondContact O-N 3.01Å; R858-I862 VanDerWaalsContact O-CG1 3.32Å; R858-I862 WeakPolarHBondContact O-CG1 3.29Å; R858-I862 PolarHBondContact O-N 3.38Å; R858-L1001 HydrophobicContact CB-CD1 3.98Å; R858-L1001 HydrophobicContact CB-CD2 3.77Å; R858-L1001 HydrophobicContact CG-CD2 4.46Å |
| 859 | I | 84.5 | Confident | 81.6 | Confident | 12 Ų | 12 | 40.3 Ų | 40.3 | 6% | 0.062 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.7 | -50.8 | 171.5 | -67.6 | 159.1 | 0 | 0 | 0 | 109.4 | P855 R856 Q861 I862 L863 E997 L1000 L1001 L1004 | P855-I859 WeakPolarHBondContact O-CG1 3.28Å; P855-I859 PolarHBondContact O-N 3.19Å; R856-I859 WeakPolarHBondContact O-CB 3.16Å; R856-I859 PolarHBondContact O-N 3.13Å; R856-I859 VanDerWaalsContact O-N 3.15Å; I859-Q861 PolarHBondContact O-N 3.34Å; I859-I862 WeakPolarHBondContact O-CA 3.32Å; I859-I862 WeakPolarHBondContact O-CB 3.49Å; I859-I862 PolarHBondContact O-N 3.1Å; I859-L863 HydrophobicContact CG2-CD1 4.14Å; I859-L863 HydrophobicContact CG2-CG 4.29Å; I859-L863 WeakPolarHBondContact O-CG 3.5Å; I859-L863 PolarHBondContact O-N 3.27Å; I859-E997 HydrophobicContact CD1-CB 4.17Å; I859-L1000 HydrophobicContact CD1-CB 4.43Å; I859-L1000 HydrophobicContact CD1-CD2 3.77Å; I859-L1000 HydrophobicContact CD1-CG 4.05Å; I859-L1001 HydrophobicContact CD1-CB 4.41Å; I859-L1001 HydrophobicContact CG1-CB 4.03Å; I859-L1001 HydrophobicContact CG1-CD1 4.15Å; I859-L1004 HydrophobicContact CG1-CD1 4.23Å; I859-L1004 HydrophobicContact CG2-CD1 3.92Å |
| 860 | Q | 80.9 | Confident | 79.5 | Confident | 21 Ų | 21 | 46 Ų | 46 | 10% | 0.098 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -56.1 | -47.3 | 178.9 | -72.1 | 169.6 | -27.1 | 0 | 0 | 112.1 | R856 T857 I862 L863 E864 T931 | R856-Q860 WeakPolarHBondContact O-CG 3.43Å; R856-Q860 PolarHBondContact O-N 3.45Å; T857-Q860 PolarHBondContact O-N 3.38Å; Q860-I862 VanDerWaalsContact C-N 3.27Å; Q860-I862 PolarHBondContact O-N 3.03Å; Q860-L863 WeakPolarHBondContact O-CA 3.44Å; Q860-L863 WeakPolarHBondContact O-CB 3.28Å; Q860-L863 PolarHBondContact O-N 2.99Å; Q860-E864 WeakPolarHBondContact O-CG 3.43Å; Q860-E864 PolarHBondContact O-N 3.17Å; Q860-T931 PolarHBondContact NE2-OG1 2.69Å; Q860-T931 PolarHBondContact OE1-OG1 2.92Å |
| 861 | Q | 81.8 | Confident | 77 | Confident | 110 Ų | 110 | 53.2 Ų | 53.2 | 51% | 0.514 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -56.4 | -37.9 | 174.2 | -73 | 167.6 | -1.5 | 0 | 0 | 113.1 | T857 I859 A865 | T857-Q861 VanDerWaalsContact O-CG 3.26Å; T857-Q861 WeakPolarHBondContact O-CG 3.38Å; T857-Q861 PolarHBondContact O-N 2.86Å; I859-Q861 PolarHBondContact O-N 3.34Å; Q861-A865 WeakPolarHBondContact O-CB 3.49Å; Q861-A865 PolarHBondContact O-N 2.87Å |
| 862 | I | 81.4 | Confident | 74.6 | Confident | 32 Ų | 32 | 57 Ų | 57 | 16% | 0.164 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -72.1 | -35.3 | 175.9 | -69.2 | 167.9 | 0 | 0 | 0 | 111.5 | R858 I859 Q860 R866 L1001 K1005 | R858-I862 VanDerWaalsContact O-CG1 3.32Å; R858-I862 WeakPolarHBondContact O-CG1 3.29Å; R858-I862 PolarHBondContact O-N 3.38Å; I859-I862 WeakPolarHBondContact O-CA 3.32Å; I859-I862 WeakPolarHBondContact O-CB 3.49Å; I859-I862 PolarHBondContact O-N 3.1Å; Q860-I862 VanDerWaalsContact C-N 3.27Å; Q860-I862 PolarHBondContact O-N 3.03Å; I862-R866 WeakPolarHBondContact O-CB 3.27Å; I862-R866 VanDerWaalsContact O-CG 3.29Å; I862-R866 WeakPolarHBondContact O-CG 3.28Å; I862-R866 PolarHBondContact O-N 2.98Å; I862-R866 VanDerWaalsContact O-N 3.13Å; I862-L1001 HydrophobicContact CD1-CD1 3.53Å; I862-K1005 HydrophobicContact CD1-CG 4.33Å |
| 863 | L | 76.8 | Confident | 72.2 | Confident | 18 Ų | 18 | 60.3 Ų | 60.3 | 9% | 0.094 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.2 | -50.7 | 174.1 | -62.9 | 177.1 | 0 | 0 | 0 | 110.8 | I859 Q860 A865 R866 Q867 L916 L926 | I859-L863 HydrophobicContact CG2-CD1 4.14Å; I859-L863 HydrophobicContact CG2-CG 4.29Å; I859-L863 WeakPolarHBondContact O-CG 3.5Å; I859-L863 PolarHBondContact O-N 3.27Å; Q860-L863 WeakPolarHBondContact O-CA 3.44Å; Q860-L863 WeakPolarHBondContact O-CB 3.28Å; Q860-L863 PolarHBondContact O-N 2.99Å; L863-A865 PolarHBondContact O-N 3.46Å; L863-R866 PolarHBondContact O-N 3.46Å; L863-Q867 WeakPolarHBondContact O-CG 3.48Å; L863-Q867 PolarHBondContact O-N 2.96Å; L863-L916 HydrophobicContact CD2-CD2 3.24Å; L863-L926 HydrophobicContact CD1-CD2 4.37Å |
| 864 | E | 78.3 | Confident | 70 | Confident | 73 Ų | 73 | 62.4 Ų | 62.4 | 34% | 0.341 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.9 | -45 | 178.8 | -70.7 | 162.3 | -150.7 | 0 | 0 | 112 | Q860 R866 Q867 S868 | Q860-E864 WeakPolarHBondContact O-CG 3.43Å; Q860-E864 PolarHBondContact O-N 3.17Å; E864-R866 VanDerWaalsContact C-N 3.32Å; E864-R866 PolarHBondContact O-N 3.29Å; E864-Q867 PolarHBondContact O-N 2.78Å; E864-S868 WeakPolarHBondContact O-CB 3.46Å; E864-S868 PolarHBondContact O-N 3.18Å; E864-S868 PolarHBondContact O-OG 3.28Å |
| 865 | A | 77.5 | Confident | 67.2 | Low | 60 Ų | 60 | 72.1 Ų | 72.1 | 50% | 0.496 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.6 | -35.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q861 L863 S868 G869 | Q861-A865 WeakPolarHBondContact O-CB 3.49Å; Q861-A865 PolarHBondContact O-N 2.87Å; L863-A865 PolarHBondContact O-N 3.46Å; A865-S868 WeakPolarHBondContact CA-OG 3.5Å; A865-S868 PolarHBondContact O-OG 3.47Å; A865-S868 VanDerWaalsContact O-OG 3.13Å; A865-G869 PolarHBondContact O-N 3.14Å |
| 866 | R | 70.9 | Confident | 64.2 | Low | 97 Ų | 97 | 80 Ų | 80 | 37% | 0.366 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -76.9 | -38.3 | 176 | -71.7 | -179.2 | -172.2 | -171.1 | 10.8 | 112.1 | I862 L863 E864 G869 L870 L1004 | I862-R866 WeakPolarHBondContact O-CB 3.27Å; I862-R866 VanDerWaalsContact O-CG 3.29Å; I862-R866 WeakPolarHBondContact O-CG 3.28Å; I862-R866 PolarHBondContact O-N 2.98Å; I862-R866 VanDerWaalsContact O-N 3.13Å; L863-R866 PolarHBondContact O-N 3.46Å; E864-R866 VanDerWaalsContact C-N 3.32Å; E864-R866 PolarHBondContact O-N 3.29Å; R866-G869 PolarHBondContact O-N 3.01Å; R866-L870 WeakPolarHBondContact O-CD1 3.23Å; R866-L870 PolarHBondContact O-N 3.39Å; R866-L1004 PolarHBondContact NH2-O 3.49Å; R866-L1004 VanDerWaalsContact NH2-O 3.1Å |
| 867 | Q | 67.1 | Low | 61.6 | Low | 113 Ų | 113 | 83.9 Ų | 83.9 | 53% | 0.528 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -65.5 | -42.3 | 175.7 | -73.2 | -176.5 | 9.4 | 0 | 0 | 112.6 | L863 E864 L870 K871 | L863-Q867 WeakPolarHBondContact O-CG 3.48Å; L863-Q867 PolarHBondContact O-N 2.96Å; E864-Q867 PolarHBondContact O-N 2.78Å; Q867-L870 PolarHBondContact O-N 3.22Å; Q867-K871 PolarHBondContact O-N 3Å; Q867-K871 VanDerWaalsContact O-N 3.14Å |
| 868 | S | 63 | Low | 59.1 | Low | 69 Ų | 69 | 88.4 Ų | 88.4 | 48% | 0.483 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.9 | -38.6 | 172.8 | 51.4 | 0 | 0 | 0 | 0 | 112 | E864 A865 L870 K871 S872 | E864-S868 WeakPolarHBondContact O-CB 3.46Å; E864-S868 PolarHBondContact O-N 3.18Å; E864-S868 PolarHBondContact O-OG 3.28Å; A865-S868 WeakPolarHBondContact CA-OG 3.5Å; A865-S868 PolarHBondContact O-OG 3.47Å; A865-S868 VanDerWaalsContact O-OG 3.13Å; S868-L870 PolarHBondContact O-N 3.29Å; S868-K871 PolarHBondContact O-N 3.07Å; S868-S872 PolarHBondContact O-N 2.93Å; S868-S872 VanDerWaalsContact O-N 3.1Å |
| 869 | G | 57.1 | Low | 56.4 | Low | 33 Ų | 33 | 96 Ų | 96 | 34% | 0.34 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -53.9 | -49 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | A865 R866 K871 S872 S873 | A865-G869 PolarHBondContact O-N 3.14Å; R866-G869 PolarHBondContact O-N 3.01Å; G869-K871 VanDerWaalsContact C-N 3.34Å; G869-K871 PolarHBondContact O-N 3.09Å; G869-S872 PolarHBondContact O-N 2.89Å; G869-S872 VanDerWaalsContact O-N 3.16Å; G869-S872 PolarHBondContact O-OG 2.91Å; G869-S873 PolarHBondContact O-N 3.09Å |
| 870 | L | 48.6 | Very low | 54 | Low | 122 Ų | 122 | 105.2 Ų | 105.2 | 64% | 0.639 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.4 | -34.5 | 176.6 | -92.9 | 87.6 | 0 | 0 | 0 | 112.9 | R866 Q867 S868 S872 S873 | R866-L870 WeakPolarHBondContact O-CD1 3.23Å; R866-L870 PolarHBondContact O-N 3.39Å; Q867-L870 PolarHBondContact O-N 3.22Å; S868-L870 PolarHBondContact O-N 3.29Å; L870-S872 VanDerWaalsContact C-N 3.29Å; L870-S872 PolarHBondContact O-N 3.5Å; L870-S873 PolarHBondContact O-N 3.03Å; L870-S873 PolarHBondContact O-OG 3.24Å |
| 871 | K | 41.5 | Very low | 51.7 | Low | 158 Ų | 158 | 115.6 Ų | 115.6 | 69% | 0.687 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -65.1 | -33.6 | 174.3 | -73.7 | -178.4 | 177.6 | 179.8 | 0 | 112.1 | Q867 S868 G869 | Q867-K871 PolarHBondContact O-N 3Å; Q867-K871 VanDerWaalsContact O-N 3.14Å; S868-K871 PolarHBondContact O-N 3.07Å; G869-K871 VanDerWaalsContact C-N 3.34Å; G869-K871 PolarHBondContact O-N 3.09Å |
| 872 | S | 42.4 | Very low | 49.2 | Very low | 86 Ų | 86 | 118.2 Ų | 118.2 | 60% | 0.601 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -72.6 | -28.9 | 179 | 76.7 | 0 | 0 | 0 | 0 | 114.1 | S868 G869 L870 V874 | S868-S872 PolarHBondContact O-N 2.93Å; S868-S872 VanDerWaalsContact O-N 3.1Å; G869-S872 PolarHBondContact O-N 2.89Å; G869-S872 VanDerWaalsContact O-N 3.16Å; G869-S872 PolarHBondContact O-OG 2.91Å; L870-S872 VanDerWaalsContact C-N 3.29Å; L870-S872 PolarHBondContact O-N 3.5Å; S872-V874 PolarHBondContact O-N 3.19Å |
| 873 | S | 39.3 | Very low | 46.9 | Very low | 90 Ų | 90 | 124.4 Ų | 124.4 | 63% | 0.629 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | 0.2 | -179.6 | 66.8 | 0 | 0 | 0 | 0 | 114.6 | G869 L870 | G869-S873 PolarHBondContact O-N 3.09Å; L870-S873 PolarHBondContact O-N 3.03Å; L870-S873 PolarHBondContact O-OG 3.24Å |
| 874 | V | 41.5 | Very low | 44.8 | Very low | 112 Ų | 112 | 127.2 Ų | 127.2 | 68% | 0.679 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | -12.3 | 179 | 178.6 | 0 | 0 | 0 | 0 | 112.3 | S872 | S872-V874 PolarHBondContact O-N 3.19Š|
| 875 | Y | 31.2 | Very low | 42.6 | Very low | 207 Ų | 207 | 132.1 Ų | 132.1 | 81% | 0.812 | 70% | 0.702 | S | S | * | * | trans | -112.4 | 78.3 | 178.7 | -94 | -94 | 0 | 0 | 0 | 112.8 | ||||
| 876 | Q | 28 | Very low | 40.2 | Very low | 167 Ų | 167 | 132.9 Ų | 132.9 | 78% | 0.78 | 71% | 0.709 | S | S | * | * | trans | -123 | 113.2 | 157 | -77.5 | -163.8 | -8.1 | 0 | 0 | 110.3 | T878 | Q876-T878 PolarHBondContact O-N 3.49Š| ||
| 877 | P | 31.1 | Very low | 38.4 | Very low | 116 Ų | 116 | 136.7 Ų | 136.7 | 75% | 0.753 | 73% | 0.73 | S | S | * | * | trans | -79.1 | 99.9 | -179.4 | 30.5 | -33.3 | 0 | 0 | 0 | 111.5 | H879 | P877-H879 VanDerWaalsContact C-N 3.33Å; P877-H879 PolarHBondContact O-N 3.19Å | ||
| 878 | T | 31.2 | Very low | 36.7 | Very low | 136 Ų | 136 | 138.2 Ų | 138.2 | 83% | 0.834 | 74% | 0.737 | S | S | * | * | trans | -75.6 | 75.9 | 179.7 | 54.7 | 0 | 0 | 0 | 0 | 112.8 | Q876 K880 | Q876-T878 PolarHBondContact O-N 3.49Å; T878-K880 PolarHBondContact O-N 2.94Å | ||
| 879 | H | 31.2 | Very low | 35.1 | Very low | 184 Ų | 184 | 145 Ų | 145 | 85% | 0.852 | 75% | 0.752 | S | S | * | * | trans | -75.2 | 89.3 | 171.3 | -94.2 | -57.5 | 0 | 0 | 0 | 112.4 | P877 | P877-H879 VanDerWaalsContact C-N 3.33Å; P877-H879 PolarHBondContact O-N 3.19Å | ||
| 880 | K | 34.4 | Very low | 33.7 | Very low | 206 Ų | 206 | 147.7 Ų | 147.7 | 90% | 0.896 | 77% | 0.766 | S | S | * | * | trans | -132 | 134.9 | 150.3 | -80.7 | -169.1 | 174.8 | 177.7 | 0 | 110.4 | T878 | T878-K880 PolarHBondContact O-N 2.94Š| ||
| 881 | R | 31.4 | Very low | 32.7 | Very low | 238 Ų | 238 | 149.1 Ų | 149.1 | 90% | 0.898 | 77% | 0.773 | S | S | * | * | trans | -75 | 145.9 | -177.3 | -69.1 | 171.7 | 167.5 | 156.4 | -7 | 111.1 | ||||
| 882 | N | 29.5 | Very low | 32 | Very low | 165 Ų | 165 | 146.1 Ų | 146.1 | 88% | 0.882 | 77% | 0.772 | S | S | * | * | trans | -110.7 | 141.6 | 151.1 | -88.4 | -7.1 | 0 | 0 | 0 | 109.4 | ||||
| 883 | N | 33.9 | Very low | 31.2 | Very low | 162 Ų | 162 | 147.1 Ų | 147.1 | 87% | 0.866 | 78% | 0.779 | S | S | * | * | trans | -116.1 | 148.7 | 162.7 | -88.9 | 2.1 | 0 | 0 | 0 | 107.7 | ||||
| 884 | G | 32.3 | Very low | 30.6 | Very low | 78 Ų | 78 | 149.4 Ų | 149.4 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | 110.3 | 99.3 | 163.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 885 | L | 30.9 | Very low | 29.9 | Very low | 175 Ų | 175 | 148.4 Ų | 148.4 | 92% | 0.916 | 79% | 0.786 | S | S | * | * | trans | -81 | 163 | 151.8 | -73.2 | 89.2 | 0 | 0 | 0 | 108.6 | ||||
| 886 | A | 27.5 | Very low | 29.6 | Very low | 77 Ų | 77 | 146.1 Ų | 146.1 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | cis | -174 | 163.7 | -22 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 887 | H | 34.1 | Very low | 29.6 | Very low | 176 Ų | 176 | 145 Ų | 145 | 82% | 0.815 | 78% | 0.781 | S | S | * | * | trans | -176.7 | 160 | 136.3 | -100.3 | -58.2 | 0 | 0 | 0 | 115.2 | ||||
| 888 | H | 31.5 | Very low | 29.4 | Very low | 146 Ų | 146 | 146 Ų | 146 | 68% | 0.676 | 78% | 0.781 | S | S | * | * | trans | -36.3 | 165.6 | 165.7 | -62.9 | -32.7 | 0 | 0 | 0 | 118.6 | ||||
| 889 | R | 28.7 | Very low | 29.3 | Very low | 210 Ų | 210 | 148.9 Ų | 148.9 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | cis | -163.2 | 137.3 | -0.3 | -123.9 | 173.2 | -174.2 | 173.3 | 0.7 | 112.5 | ||||
| 890 | S | 26.9 | Very low | 29.1 | Very low | 90 Ų | 90 | 147.3 Ų | 147.3 | 63% | 0.629 | 77% | 0.769 | S | S | * | * | trans | 41.8 | 135.1 | 133.3 | 69 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 891 | I | 28 | Very low | 28.7 | Very low | 153 Ų | 153 | 143.3 Ų | 143.3 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | trans | 113.8 | 107.5 | 141.8 | -70.3 | 153.9 | 0 | 0 | 0 | 120.1 | ||||
| 892 | S | 26.4 | Very low | 28.6 | Very low | 95 Ų | 95 | 141.1 Ų | 141.1 | 66% | 0.664 | 76% | 0.762 | S | S | * | * | trans | 49.9 | 115.4 | 143.8 | 75.8 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 893 | S | 26.5 | Very low | 28.5 | Very low | 107 Ų | 107 | 138.3 Ų | 138.3 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | 94.7 | 146 | 112.7 | 71.9 | 0 | 0 | 0 | 0 | 123 | |||||
| 894 | V | 27.1 | Very low | 28.1 | Very low | 138 Ų | 138 | 135.6 Ų | 135.6 | 84% | 0.836 | 75% | 0.749 | S | S | * | * | trans | 80.6 | 145.7 | 168.7 | -165.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 895 | S | 25.5 | Very low | 27.8 | Very low | 91 Ų | 91 | 142 Ų | 142 | 64% | 0.636 | 76% | 0.755 | S | S | * | * | trans | -77.8 | -178.3 | -174.6 | 51.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 896 | E | 26.2 | Very low | 27.6 | Very low | 158 Ų | 158 | 138.7 Ų | 138.7 | 74% | 0.738 | 75% | 0.746 | S | S | * | * | cis | -169 | 172.4 | 35.8 | -145.1 | 171.1 | -141.5 | 0 | 0 | 111.6 | ||||
| 897 | L | 28.2 | Very low | 27.7 | Very low | 143 Ų | 143 | 140.1 Ų | 140.1 | 75% | 0.749 | 75% | 0.751 | S | S | * | * | trans | 64.4 | 147.2 | 171.1 | -88.6 | 80.2 | 0 | 0 | 0 | 117.9 | ||||
| 898 | D | 25.6 | Very low | 27.4 | Very low | 139 Ų | 139 | 138.3 Ų | 138.3 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | cis | -161.7 | 177.2 | -19.4 | -147.2 | -18.5 | 0 | 0 | 0 | 111.8 | ||||
| 899 | R | 29.1 | Very low | 27.4 | Very low | 196 Ų | 196 | 136.5 Ų | 136.5 | 74% | 0.74 | 75% | 0.748 | S | S | * | * | trans | 88.3 | 106.1 | 164.4 | -69.2 | -163.6 | 148.1 | 126.2 | 4.3 | 121 | ||||
| 900 | E | 26.9 | Very low | 28.1 | Very low | 150 Ų | 150 | 129.4 Ų | 129.4 | 70% | 0.701 | 73% | 0.731 | S | S | * | * | 59.8 | 127.9 | 120.5 | -62.4 | 168.5 | -131.5 | 0 | 0 | 119.3 | |||||
| 901 | T | 26.4 | Very low | 29.2 | Very low | 122 Ų | 122 | 129.6 Ų | 129.6 | 75% | 0.748 | 73% | 0.728 | S | S | * | * | cis | -158.6 | 141.9 | -1.9 | 24.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 902 | Q | 29.7 | Very low | 30.3 | Very low | 192 Ų | 192 | 123 Ų | 123 | 90% | 0.897 | 70% | 0.696 | S | S | * | * | 176.8 | 122.4 | 126.9 | -99.5 | -179.2 | 33.6 | 0 | 0 | 114.8 | |||||
| 903 | S | 26.9 | Very low | 31.7 | Very low | 106 Ų | 106 | 123 Ų | 123 | 74% | 0.741 | 69% | 0.685 | S | S | * | * | trans | 27.9 | 116.7 | 147.2 | -162.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 904 | S | 24.9 | Very low | 33.1 | Very low | 105 Ų | 105 | 119.5 Ų | 119.5 | 73% | 0.734 | 66% | 0.66 | S | S | * | * | trans | -35.9 | 139 | 149.6 | 45.9 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 905 | K | 27.6 | Very low | 34.6 | Very low | 214 Ų | 214 | 113.3 Ų | 113.3 | 93% | 0.93 | 62% | 0.623 | S | S | * | * | trans | -150.7 | 99.8 | 141.9 | -84.6 | -163.3 | 179.1 | 175.6 | 0 | 110.7 | ||||
| 906 | S | 25.9 | Very low | 36 | Very low | 104 Ų | 104 | 109.9 Ų | 109.9 | 73% | 0.727 | 60% | 0.597 | S | S | * | * | trans | -93.3 | 169.4 | 159.1 | 53.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 907 | S | 28.7 | Very low | 37.4 | Very low | 107 Ų | 107 | 106.2 Ų | 106.2 | 75% | 0.748 | 58% | 0.583 | S | S | * | * | trans | 47.3 | 86.1 | 162.5 | 59.1 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 908 | T | 28.5 | Very low | 39 | Very low | 138 Ų | 138 | 104 Ų | 104 | 85% | 0.847 | 57% | 0.567 | S | S | * | * | -164.6 | 121.3 | 120.3 | 42.4 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 909 | L | 32.4 | Very low | 40.3 | Very low | 108 Ų | 108 | 98.5 Ų | 98.5 | 57% | 0.565 | 54% | 0.537 | S | S | * | . | trans | -64.2 | 138.4 | 147.4 | -80.7 | 83.5 | 0 | 0 | 0 | 106.3 | Q913 | L909-Q913 HydrophobicContact CB-CB 4.49Å; L909-Q913 HydrophobicContact CD2-CB 4.33Å; L909-Q913 HydrophobicContact CD2-CG 4.42Å | ||
| 910 | S | 43.8 | Very low | 41.4 | Very low | 62 Ų | 62 | 92.2 Ų | 92.2 | 43% | 0.434 | 52% | 0.523 | S | S | . | . | trans | -60.5 | 144.3 | 169.5 | 67.8 | 0 | 0 | 0 | 0 | 108.5 | S912 Q913 S914 | S910-S912 PolarHBondContact O-N 3Å; S910-S912 PolarHBondContact OG-OG 2.77Å; S910-Q913 WeakPolarHBondContact O-CB 3.37Å; S910-Q913 PolarHBondContact O-N 2.96Å; S910-S914 PolarHBondContact O-N 3.35Å | ||
| 911 | T | 49.7 | Very low | 42.5 | Very low | 94 Ų | 94 | 91 Ų | 91 | 58% | 0.577 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -56.4 | -31.9 | -175.2 | -36.6 | 0 | 0 | 0 | 0 | 111.9 | Q913 I915 | T911-Q913 VanDerWaalsContact C-N 3.35Å; T911-Q913 PolarHBondContact O-N 2.98Å; T911-I915 HydrophobicContact CG2-CD1 4.21Å; T911-I915 WeakPolarHBondContact O-CB 3.21Å; T911-I915 WeakPolarHBondContact O-CD1 3.46Å; T911-I915 WeakPolarHBondContact O-CG1 3.46Å; T911-I915 PolarHBondContact O-N 3.17Å; T911-I915 VanDerWaalsContact O-N 3.1Å |
| 912 | S | 51.2 | Low | 43.5 | Very low | 15 Ų | 15 | 86.4 Ų | 86.4 | 11% | 0.105 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -63.8 | -34.1 | 174.1 | 60.8 | 0 | 0 | 0 | 0 | 113.4 | S910 L916 | S910-S912 PolarHBondContact O-N 3Å; S910-S912 PolarHBondContact OG-OG 2.77Å; S912-L916 WeakPolarHBondContact O-CB 3.42Å; S912-L916 WeakPolarHBondContact O-CG 3.26Å; S912-L916 PolarHBondContact O-N 2.71Å |
| 913 | Q | 54.3 | Low | 43.9 | Very low | 93 Ų | 93 | 84.3 Ų | 84.3 | 44% | 0.435 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -72.6 | -41.5 | 179.8 | -149.4 | 74 | 14.6 | 0 | 0 | 112.3 | L909 S910 T911 I915 L916 N917 | L909-Q913 HydrophobicContact CB-CB 4.49Å; L909-Q913 HydrophobicContact CD2-CB 4.33Å; L909-Q913 HydrophobicContact CD2-CG 4.42Å; S910-Q913 WeakPolarHBondContact O-CB 3.37Å; S910-Q913 PolarHBondContact O-N 2.96Å; T911-Q913 VanDerWaalsContact C-N 3.35Å; T911-Q913 PolarHBondContact O-N 2.98Å; Q913-I915 VanDerWaalsContact C-N 3.35Å; Q913-L916 PolarHBondContact O-N 2.71Å; Q913-N917 PolarHBondContact O-N 2.95Å |
| 914 | S | 57.3 | Low | 44.6 | Very low | 34 Ų | 34 | 82.4 Ų | 82.4 | 24% | 0.238 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -65.1 | -40.1 | 174.7 | -52.7 | 0 | 0 | 0 | 0 | 111.6 | S910 N917 F918 | S910-S914 PolarHBondContact O-N 3.35Å; S914-N917 PolarHBondContact O-N 3.27Å; S914-F918 PolarHBondContact O-N 3.12Å |
| 915 | I | 57.3 | Low | 45.4 | Very low | 8 Ų | 8 | 80.6 Ų | 80.6 | 4% | 0.041 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -57.9 | -49.2 | 171.2 | -75.2 | 170.4 | 0 | 0 | 0 | 110.5 | T911 Q913 N917 F918 F919 L1000 R1003 L1004 | T911-I915 HydrophobicContact CG2-CD1 4.21Å; T911-I915 WeakPolarHBondContact O-CB 3.21Å; T911-I915 WeakPolarHBondContact O-CD1 3.46Å; T911-I915 WeakPolarHBondContact O-CG1 3.46Å; T911-I915 PolarHBondContact O-N 3.17Å; T911-I915 VanDerWaalsContact O-N 3.1Å; Q913-I915 VanDerWaalsContact C-N 3.35Å; I915-N917 VanDerWaalsContact C-N 3.32Å; I915-N917 PolarHBondContact O-N 2.93Å; I915-F918 WeakPolarHBondContact O-CB 3.11Å; I915-F918 PolarHBondContact O-N 3.4Å; I915-F918 VanDerWaalsContact O-N 3.14Å; I915-F919 HydrophobicContact CG2-CD2 3.82Å; I915-F919 HydrophobicContact CG2-CE2 3.89Å; I915-F919 VanDerWaalsContact O-CD2 3.25Å; I915-F919 WeakPolarHBondContact O-CD2 3.49Å; I915-F919 PolarHBondContact O-N 3.06Å; I915-L1000 HydrophobicContact CG2-CD1 3.59Å; I915-R1003 HydrophobicContact CD1-CB 4.32Å; I915-L1004 HydrophobicContact CG2-CD2 3.96Å; I915-L1004 HydrophobicContact CG2-CG 4.47Å |
| 916 | L | 55 | Low | 46 | Very low | 19 Ų | 19 | 73 Ų | 73 | 10% | 0.099 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -59.8 | -39.1 | 178.7 | -73.2 | 168.1 | 0 | 0 | 0 | 113 | L863 S912 Q913 F919 S920 L1004 | L863-L916 HydrophobicContact CD2-CD2 3.24Å; S912-L916 WeakPolarHBondContact O-CB 3.42Å; S912-L916 WeakPolarHBondContact O-CG 3.26Å; S912-L916 PolarHBondContact O-N 2.71Å; Q913-L916 PolarHBondContact O-N 2.71Å; L916-F919 PolarHBondContact O-N 3.26Å; L916-S920 WeakPolarHBondContact O-CB 3.41Å; L916-S920 PolarHBondContact O-N 3.26Å; L916-S920 PolarHBondContact O-OG 3.07Å; L916-L1004 HydrophobicContact CD2-CD2 4.05Å; L916-L1004 HydrophobicContact CG-CD2 4.19Å |
| 917 | N | 56.3 | Low | 46.6 | Very low | 81 Ų | 81 | 74.2 Ų | 74.2 | 43% | 0.433 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -65.9 | -40.3 | 175.4 | -72.1 | -2.1 | 0 | 0 | 0 | 111.7 | Q913 S914 I915 S920 N921 | Q913-N917 PolarHBondContact O-N 2.95Å; S914-N917 PolarHBondContact O-N 3.27Å; I915-N917 VanDerWaalsContact C-N 3.32Å; I915-N917 PolarHBondContact O-N 2.93Å; N917-S920 PolarHBondContact O-N 3.4Å; N917-N921 WeakPolarHBondContact O-CB 3.39Å; N917-N921 PolarHBondContact O-N 3.19Å |
| 918 | F | 60.8 | Low | 47 | Very low | 96 Ų | 96 | 70.7 Ų | 70.7 | 42% | 0.421 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -58.8 | -49.8 | 173.5 | -179.3 | -91.9 | 0 | 0 | 0 | 111.4 | S914 I915 S920 N921 A922 | S914-F918 PolarHBondContact O-N 3.12Å; I915-F918 WeakPolarHBondContact O-CB 3.11Å; I915-F918 PolarHBondContact O-N 3.4Å; I915-F918 VanDerWaalsContact O-N 3.14Å; F918-S920 VanDerWaalsContact C-N 3.32Å; F918-S920 PolarHBondContact O-N 2.9Å; F918-N921 PolarHBondContact O-N 2.95Å; F918-A922 HydrophobicContact CE1-CB 4.45Å; F918-A922 WeakPolarHBondContact O-CB 3.4Å; F918-A922 PolarHBondContact O-N 3.03Å |
| 919 | F | 54.6 | Low | 47.7 | Very low | 24 Ų | 24 | 66.6 Ų | 66.6 | 11% | 0.105 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -68.5 | -26.6 | 178.2 | -76.6 | -78.7 | 0 | 0 | 0 | 114.2 | I915 L916 L925 L1000 | I915-F919 HydrophobicContact CG2-CD2 3.82Å; I915-F919 HydrophobicContact CG2-CE2 3.89Å; I915-F919 VanDerWaalsContact O-CD2 3.25Å; I915-F919 WeakPolarHBondContact O-CD2 3.49Å; I915-F919 PolarHBondContact O-N 3.06Å; L916-F919 PolarHBondContact O-N 3.26Å; F919-L925 HydrophobicContact CD1-CD1 4.09Å; F919-L925 HydrophobicContact CD1-CD2 4.07Å; F919-L925 HydrophobicContact CD1-CG 4.45Å; F919-L925 HydrophobicContact CE1-CD1 3.49Å; F919-L925 VanDerWaalsContact CE1-CD1 3.49Å; F919-L925 HydrophobicContact CE1-CD2 3.71Å; F919-L925 HydrophobicContact CE1-CG 4.13Å; F919-L925 HydrophobicContact CZ-CD1 4.4Å; F919-L1000 HydrophobicContact CD2-CD2 4.49Å; F919-L1000 HydrophobicContact CE1-CD2 3.92Å; F919-L1000 HydrophobicContact CE2-CD1 3.72Å; F919-L1000 HydrophobicContact CE2-CD2 3.56Å; F919-L1000 HydrophobicContact CE2-CG 4.29Å; F919-L1000 HydrophobicContact CZ-CD1 4.24Å; F919-L1000 HydrophobicContact CZ-CD2 3.23Å; F919-L1000 HydrophobicContact CZ-CG 4.37Å |
| 920 | S | 50.9 | Low | 48.2 | Very low | 64 Ų | 64 | 62.5 Ų | 62.5 | 45% | 0.448 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -75.2 | -31.6 | 175.1 | -56.4 | 0 | 0 | 0 | 0 | 112.5 | L916 N917 F918 | L916-S920 WeakPolarHBondContact O-CB 3.41Å; L916-S920 PolarHBondContact O-N 3.26Å; L916-S920 PolarHBondContact O-OG 3.07Å; N917-S920 PolarHBondContact O-N 3.4Å; F918-S920 VanDerWaalsContact C-N 3.32Å; F918-S920 PolarHBondContact O-N 2.9Å |
| 921 | N | 49.5 | Very low | 48 | Very low | 124 Ų | 124 | 61.1 Ų | 61.1 | 66% | 0.663 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -87.4 | -28.4 | 177.5 | -67.1 | -9.4 | 0 | 0 | 0 | 112.5 | N917 F918 Q923 | N917-N921 WeakPolarHBondContact O-CB 3.39Å; N917-N921 PolarHBondContact O-N 3.19Å; F918-N921 PolarHBondContact O-N 2.95Å; N921-Q923 VanDerWaalsContact C-N 3.27Å; N921-Q923 PolarHBondContact O-N 3.27Å |
| 922 | A | 48.8 | Very low | 47.4 | Very low | 27 Ų | 27 | 60.8 Ų | 60.8 | 22% | 0.223 | 36% | 0.357 | C | S | . | . | trans | -77.7 | 68.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | F918 G924 L925 | F918-A922 HydrophobicContact CE1-CB 4.45Å; F918-A922 WeakPolarHBondContact O-CB 3.4Å; F918-A922 PolarHBondContact O-N 3.03Å; A922-G924 PolarHBondContact O-N 2.91Å; A922-L925 PolarHBondContact O-N 3.41Å | ||
| 923 | Q | 38.4 | Very low | 46.6 | Very low | 148 Ų | 148 | 63 Ų | 63 | 69% | 0.692 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -47.1 | -37.3 | -179.5 | -70.7 | -178.4 | -40.4 | 0 | 0 | 113.7 | N921 L925 L926 I927 | N921-Q923 VanDerWaalsContact C-N 3.27Å; N921-Q923 PolarHBondContact O-N 3.27Å; Q923-L925 PolarHBondContact O-N 2.9Å; Q923-L925 VanDerWaalsContact O-N 3.14Å; Q923-L926 PolarHBondContact O-N 3.23Å; Q923-I927 HydrophobicContact CB-CD1 4.43Å; Q923-I927 WeakPolarHBondContact O-CD1 3.27Å; Q923-I927 WeakPolarHBondContact O-CG1 3.49Å |
| 924 | G | 41.7 | Very low | 45.5 | Very low | 65 Ų | 65 | 63.1 Ų | 63.1 | 67% | 0.67 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -60.7 | -20.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | A922 | A922-G924 PolarHBondContact O-N 2.91Å |
| 925 | L | 41.3 | Very low | 44.1 | Very low | 67 Ų | 67 | 66.7 Ų | 66.7 | 35% | 0.351 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -88.5 | -19.6 | -176.7 | -137.8 | 149.1 | 0 | 0 | 0 | 113 | R856 F919 A922 Q923 | R856-L925 PolarHBondContact NH2-O 2.7Å; F919-L925 HydrophobicContact CD1-CD1 4.09Å; F919-L925 HydrophobicContact CD1-CD2 4.07Å; F919-L925 HydrophobicContact CD1-CG 4.45Å; F919-L925 HydrophobicContact CE1-CD1 3.49Å; F919-L925 VanDerWaalsContact CE1-CD1 3.49Å; F919-L925 HydrophobicContact CE1-CD2 3.71Å; F919-L925 HydrophobicContact CE1-CG 4.13Å; F919-L925 HydrophobicContact CZ-CD1 4.4Å; A922-L925 PolarHBondContact O-N 3.41Å; Q923-L925 PolarHBondContact O-N 2.9Å; Q923-L925 VanDerWaalsContact O-N 3.14Å |
| 926 | L | 39.7 | Very low | 42.8 | Very low | 55 Ų | 55 | 70.7 Ų | 70.7 | 29% | 0.288 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -87.7 | -12.2 | 172.1 | -70 | 170.2 | 0 | 0 | 0 | 113.3 | L863 Q923 | L863-L926 HydrophobicContact CD1-CD2 4.37Å; Q923-L926 PolarHBondContact O-N 3.23Å |
| 927 | I | 37.8 | Very low | 41.5 | Very low | 130 Ų | 130 | 76.8 Ų | 76.8 | 67% | 0.667 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -105.1 | -17.4 | -167.6 | -67.5 | 173.8 | 0 | 0 | 0 | 113.1 | Q923 | Q923-I927 HydrophobicContact CB-CD1 4.43Å; Q923-I927 WeakPolarHBondContact O-CD1 3.27Å; Q923-I927 WeakPolarHBondContact O-CG1 3.49Å |
| 928 | G | 37.8 | Very low | 40.2 | Very low | 33 Ų | 33 | 76.4 Ų | 76.4 | 34% | 0.34 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -106.8 | 142.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | R856 | R856-G928 PolarHBondContact NE-O 3.07Å; R856-G928 PolarHBondContact NH2-O 2.95Å |
| 929 | S | 43.3 | Very low | 38.6 | Very low | 51 Ų | 51 | 79.4 Ų | 79.4 | 36% | 0.357 | 48% | 0.48 | S | S | . | . | S | Bend | trans | 61.5 | 140.7 | 170.6 | 61.6 | 0 | 0 | 0 | 0 | 119.7 | R856 T931 | R856-S929 PolarHBondContact NH2-OG 2.99Å; S929-T931 VanDerWaalsContact C-N 3.34Å; S929-T931 PolarHBondContact O-N 3.35Å |
| 930 | E | 43.7 | Very low | 37.7 | Very low | 22 Ų | 22 | 83.2 Ų | 83.2 | 10% | 0.103 | 51% | 0.506 | C | S | . | . | S | Bend | trans | 56.4 | -48 | 174.4 | -59.2 | -162.4 | 121 | 0 | 0 | 119.9 | H847 M848 R850 | H847-E930 IonicContact CE1-OE1 2.65Å; H847-E930 IonicContact CG-OE1 2.7Å; H847-E930 IonicContact ND1-OE1 3.29Å; H847-E930 PolarHBondContact ND1-OE1 3.08Å; M848-E930 PolarHBondContact N-OE1 3.3Å; R850-E930 IonicContact CZ-OE1 3.18Å; R850-E930 IonicContact CZ-OE2 3.58Å; R850-E930 VanDerWaalsContact CZ-OE2 3.32Å; R850-E930 VanDerWaalsContact NH1-CD 3.32Å; R850-E930 IonicContact NH1-OE1 3.47Å; R850-E930 PolarHBondContact NH1-OE1 3.25Å; R850-E930 IonicContact NH1-OE2 3.74Å; R850-E930 PolarHBondContact NH1-OE2 3Å; R850-E930 IonicContact NH2-OE1 2.66Å; R850-E930 IonicContact NH2-OE2 2.68Å; R850-E930 PolarHBondContact NH2-OE2 2.92Å |
| 931 | T | 39.7 | Very low | 37.1 | Very low | 33 Ų | 33 | 90.1 Ų | 90.1 | 20% | 0.202 | 53% | 0.531 | C | S | . | . | trans | -117.4 | 26 | -160.3 | 54.9 | 0 | 0 | 0 | 0 | 116.6 | Q860 S929 T933 | Q860-T931 PolarHBondContact NE2-OG1 2.69Å; Q860-T931 PolarHBondContact OE1-OG1 2.92Å; S929-T931 VanDerWaalsContact C-N 3.34Å; S929-T931 PolarHBondContact O-N 3.35Å; T931-T933 PolarHBondContact O-N 3.1Å | ||
| 932 | S | 35.8 | Very low | 36.8 | Very low | 87 Ų | 87 | 92.1 Ų | 92.1 | 61% | 0.608 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | 41.3 | -177.7 | 72 | 0 | 0 | 0 | 0 | 115.5 | ||
| 933 | T | 35.1 | Very low | 36.9 | Very low | 63 Ų | 63 | 97.8 Ų | 97.8 | 39% | 0.387 | 57% | 0.567 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -119 | -8.8 | 175.2 | 62.3 | 0 | 0 | 0 | 0 | 114.1 | T931 | T931-T933 PolarHBondContact O-N 3.1Š|
| 934 | N | 30.9 | Very low | 37.9 | Very low | 95 Ų | 95 | 94.7 Ų | 94.7 | 51% | 0.508 | 56% | 0.555 | S | S | . | * | trans | -125.9 | 19.1 | -158.6 | -87.2 | 50.5 | 0 | 0 | 0 | 115.6 | ||||
| 935 | L | 28.3 | Very low | 39.5 | Very low | 109 Ų | 109 | 96.9 Ų | 96.9 | 57% | 0.571 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -102.2 | 138 | 176.7 | -124.5 | 73.7 | 0 | 0 | 0 | 112.9 | ||
| 936 | S | 30.2 | Very low | 41.2 | Very low | 92 Ų | 92 | 97.6 Ų | 97.6 | 64% | 0.643 | 56% | 0.558 | S | S | * | * | trans | 59.3 | 106.5 | -179.3 | 48.3 | 0 | 0 | 0 | 0 | 117.6 | S938 | S936-S938 PolarHBondContact O-N 3.13Š| ||
| 937 | T | 27.1 | Very low | 42.7 | Very low | 146 Ų | 146 | 101.7 Ų | 101.7 | 90% | 0.896 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -74 | 70.3 | 164.8 | 55.9 | 0 | 0 | 0 | 0 | 111.6 | ||
| 938 | S | 28.9 | Very low | 44.4 | Very low | 74 Ų | 74 | 102.2 Ų | 102.2 | 52% | 0.517 | 57% | 0.574 | S | S | . | * | S | Bend | trans | -165.9 | 118.5 | 164.2 | 50.6 | 0 | 0 | 0 | 0 | 109.3 | S936 | S936-S938 PolarHBondContact O-N 3.13Š|
| 939 | D | 27.8 | Very low | 46.2 | Very low | 158 Ų | 158 | 102.2 Ų | 102.2 | 85% | 0.845 | 57% | 0.565 | S | S | * | * | S | Bend | trans | 64.8 | 50.6 | 160.5 | -46.2 | -34.4 | 0 | 0 | 0 | 118.6 | ||
| 940 | T | 34.5 | Very low | 47.4 | Very low | 105 Ų | 105 | 102.1 Ų | 102.1 | 64% | 0.644 | 56% | 0.563 | S | S | * | * | trans | -157.6 | 2.1 | 159 | -4.2 | 0 | 0 | 0 | 0 | 120.1 | L942 N943 | T940-L942 PolarHBondContact O-N 2.77Å; T940-N943 PolarHBondContact O-N 3.15Å | ||
| 941 | E | 38 | Very low | 48.7 | Very low | 208 Ų | 208 | 103.3 Ų | 103.3 | 97% | 0.972 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -5.7 | -174.4 | -69.1 | -167.1 | 139.6 | 0 | 0 | 116.2 | ||
| 942 | L | 44.5 | Very low | 50 | Low | 167 Ų | 167 | 103 Ų | 103 | 87% | 0.874 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | -5.1 | -178 | -95 | 158.8 | 0 | 0 | 0 | 115.8 | T940 | T940-L942 PolarHBondContact O-N 2.77Š|
| 943 | N | 50.1 | Low | 51.5 | Low | 146 Ų | 146 | 102.3 Ų | 102.3 | 78% | 0.781 | 56% | 0.561 | S | S | * | * | trans | -146.5 | 51.6 | -173.4 | -91 | -47.2 | 0 | 0 | 0 | 114.7 | T940 | T940-N943 PolarHBondContact O-N 3.15Š| ||
| 944 | N | 60.1 | Low | 53.2 | Low | 82 Ų | 82 | 105.9 Ų | 105.9 | 44% | 0.439 | 57% | 0.573 | S | S | . | * | trans | -95.7 | 113.7 | 161.3 | -167.8 | -20.3 | 0 | 0 | 0 | 109.5 | F946 | N944-F946 PolarHBondContact O-N 3.02Å; N944-F946 WeakPolarHBondContact OD1-CD2 3.37Å; N944-F946 PolarHBondContact OD1-N 2.97Å; N944-F946 VanDerWaalsContact OD1-N 3.14Å | ||
| 945 | P | 74.1 | Confident | 55.8 | Low | 111 Ų | 111 | 102 Ų | 102 | 72% | 0.721 | 55% | 0.552 | S | S | * | * | trans | -77.6 | -7 | -176.8 | 32.8 | -36.7 | 0 | 0 | 0 | 113.7 | ||||
| 946 | F | 77 | Confident | 58.9 | Low | 83 Ų | 83 | 98.3 Ų | 98.3 | 36% | 0.364 | 53% | 0.534 | S | S | . | . | S | Bend | trans | -101.4 | 136.4 | -176.1 | -50.5 | -63.7 | 0 | 0 | 0 | 111.8 | D840 R841 N944 K948 | D840-F946 WeakPolarHBondContact O-CE1 3.35Å; R841-F946 HydrophobicContact CB-CD1 4.19Å; R841-F946 HydrophobicContact CB-CE1 3.77Å; R841-F946 HydrophobicContact CB-CE2 4.31Å; R841-F946 HydrophobicContact CB-CZ 3.83Å; N944-F946 PolarHBondContact O-N 3.02Å; N944-F946 WeakPolarHBondContact OD1-CD2 3.37Å; N944-F946 PolarHBondContact OD1-N 2.97Å; N944-F946 VanDerWaalsContact OD1-N 3.14Å; F946-K948 PolarHBondContact O-N 3.21Å |
| 947 | E | 71.9 | Confident | 61.9 | Low | 141 Ų | 141 | 94 Ų | 94 | 66% | 0.659 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -58 | 137.5 | 170.6 | -172.2 | -174.9 | -129.4 | 0 | 0 | 110 | R976 | E947-R976 PolarHBondContact O-NH1 3.18Å; E947-R976 IonicContact OE2-CZ 2.7Å; E947-R976 IonicContact OE2-NE 3.33Å; E947-R976 PolarHBondContact OE2-NE 2.94Å; E947-R976 IonicContact OE2-NH2 3.78Å; E947-R976 PolarHBondContact OE2-NH2 2.85Å |
| 948 | K | 74 | Confident | 65.2 | Low | 141 Ų | 141 | 88 Ų | 88 | 61% | 0.613 | 47% | 0.465 | S | S | * | . | P | Polyproline II helix | trans | -56.8 | 141.7 | 178 | -166.5 | 172.9 | -174.9 | 172 | 0 | 110.5 | F946 R976 | F946-K948 PolarHBondContact O-N 3.21Å; K948-R976 PolarHBondContact O-NH2 2.77Å |
| 949 | M | 74.7 | Confident | 68.3 | Low | 32 Ų | 32 | 89 Ų | 89 | 16% | 0.158 | 46% | 0.46 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 135.4 | 173.5 | -67.5 | -126.9 | 60.6 | 0 | 0 | 109.5 | V838 I845 H847 F977 | V838-M949 HydrophobicContact CG2-CE 3.9Å; V838-M949 HydrophobicContact CG2-SD 4.38Å; I845-M949 HydrophobicContact CD1-SD 4.14Å; H847-M949 HydrophobicContact CB-CE 3.9Å; H847-M949 HydrophobicContact CB-SD 4.42Å; H847-M949 VanDerWaalsContact CG-CE 3.49Å; M949-F977 HydrophobicContact CE-CE1 4.12Å; M949-F977 HydrophobicContact CE-CZ 4.39Å |
| 950 | P | 69.6 | Low | 71.5 | Confident | 50 Ų | 50 | 81.5 Ų | 81.5 | 33% | 0.325 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -77.6 | 163.6 | -175.3 | -3.6 | 22.3 | 0 | 0 | 0 | 111.2 | H955 | P950-H955 WeakPolarHBondContact CB-NE2 3.29Å; P950-H955 WeakPolarHBondContact CG-NE2 3.35Å; P950-H955 PolarHBondContact O-CE1 2.79Å |
| 951 | S | 70.1 | Confident | 74.3 | Confident | 47 Ų | 47 | 76.5 Ų | 76.5 | 33% | 0.329 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 139.4 | -172.8 | -170.2 | 0 | 0 | 0 | 0 | 112.8 | N953 E954 H955 | S951-N953 PolarHBondContact O-N 2.79Å; S951-E954 VanDerWaalsContact CB-OE2 3.32Å; S951-E954 WeakPolarHBondContact CB-OE2 3.38Å; S951-E954 PolarHBondContact O-N 2.79Å; S951-H955 PolarHBondContact O-ND1 2.85Å |
| 952 | D | 67.3 | Low | 77 | Confident | 26 Ų | 26 | 66.7 Ų | 66.7 | 14% | 0.139 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -48.4 | -35.2 | 170.7 | -65.2 | -34.4 | 0 | 0 | 0 | 111.6 | S854 E954 | S854-D952 PolarHBondContact N-OD2 3.47Å; D952-E954 VanDerWaalsContact C-N 3.32Å; D952-E954 PolarHBondContact O-N 3.07Å |
| 953 | N | 66.6 | Low | 79.4 | Confident | 73 Ų | 73 | 58.8 Ų | 58.8 | 39% | 0.39 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -72.2 | -16.1 | -177 | -62.5 | -15.2 | 0 | 0 | 0 | 115.3 | T825 S951 | T825-N953 PolarHBondContact OG1-O 3.06Å; S951-N953 PolarHBondContact O-N 2.79Å |
| 954 | E | 72 | Confident | 81.6 | Confident | 138 Ų | 138 | 51.8 Ų | 51.8 | 65% | 0.645 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -121.1 | 0 | -161.7 | -68.2 | 166.7 | 176.6 | 0 | 0 | 113.3 | S951 D952 P956 | S951-E954 VanDerWaalsContact CB-OE2 3.32Å; S951-E954 WeakPolarHBondContact CB-OE2 3.38Å; S951-E954 PolarHBondContact O-N 2.79Å; D952-E954 VanDerWaalsContact C-N 3.32Å; D952-E954 PolarHBondContact O-N 3.07Å; E954-P956 WeakPolarHBondContact O-CD 3.32Å |
| 955 | H | 85 | Confident | 83.1 | Confident | 14 Ų | 14 | 48.5 Ų | 48.5 | 7% | 0.065 | 25% | 0.247 | C | C | . | . | trans | -84.1 | 121.1 | -177.6 | -78.8 | 107.3 | 0 | 0 | 0 | 112.7 | V823 M824 F849 P950 S951 | V823-H955 CarbonylContact C-O 3.55Å; V823-H955 WeakPolarHBondContact CA-O 3.41Å; V823-H955 WeakPolarHBondContact CB-O 3.18Å; M824-H955 HydrophobicContact CG-CB 4.16Å; M824-H955 PolarHBondContact N-O 2.71Å; F849-H955 AromaticContact CD1-CD2 3.75Å; F849-H955 AromaticContact CD1-CE1 3.93Å; F849-H955 AromaticContact CD1-CG 3.9Å; F849-H955 AromaticContact CD1-NE2 3.8Å; F849-H955 AromaticContact CE1-CD2 3.57Å; F849-H955 AromaticContact CE1-CE1 3.97Å; F849-H955 AromaticContact CE1-NE2 3.43Å; F849-H955 WeakPolarHBondContact CE1-NE2 3.33Å; P950-H955 WeakPolarHBondContact CB-NE2 3.29Å; P950-H955 WeakPolarHBondContact CG-NE2 3.35Å; P950-H955 PolarHBondContact O-CE1 2.79Å; S951-H955 PolarHBondContact O-ND1 2.85Å | ||
| 956 | P | 93 | Very high | 83.7 | Confident | 31 Ų | 31 | 43.2 Ų | 43.2 | 20% | 0.201 | 21% | 0.213 | C | C | . | . | B | Isolated β-bridge | trans | -64.2 | 136.2 | 169.9 | -21.2 | 34 | 0 | 0 | 0 | 111.9 | T822 E954 W958 K959 A960 | T822-P956 WeakPolarHBondContact O-CA 3.5Å; E954-P956 WeakPolarHBondContact O-CD 3.32Å; P956-W958 VanDerWaalsContact C-N 3.33Å; P956-W958 HydrophobicContact CB-CG 4.45Å; P956-W958 PolarHBondContact O-N 3.04Å; P956-K959 HydrophobicContact CB-CB 4.33Å; P956-K959 WeakPolarHBondContact O-CB 3.4Å; P956-K959 PolarHBondContact O-N 3.31Å; P956-A960 PolarHBondContact O-N 3.15Å |
| 957 | I | 94.5 | Very high | 84.3 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59 | -43.7 | -175.2 | -62.9 | 165.6 | 0 | 0 | 0 | 111.4 | L776 F818 T822 M824 L827 K959 A960 A961 | L776-I957 HydrophobicContact CB-CG2 4.29Å; L776-I957 HydrophobicContact CD1-CG2 3.85Å; L776-I957 HydrophobicContact CD2-CG2 3.99Å; L776-I957 HydrophobicContact CG-CG2 4.26Å; F818-I957 HydrophobicContact CB-CB 4.16Å; F818-I957 HydrophobicContact CB-CG2 4.12Å; F818-I957 HydrophobicContact CD1-CG2 3.77Å; F818-I957 HydrophobicContact CD2-CG2 3.78Å; F818-I957 HydrophobicContact CE1-CG2 4.07Å; F818-I957 HydrophobicContact CE2-CG2 4.07Å; F818-I957 HydrophobicContact CG-CB 4.22Å; F818-I957 HydrophobicContact CG-CG2 3.63Å; F818-I957 HydrophobicContact CZ-CG2 4.22Å; T822-I957 HydrophobicContact CG2-CD1 3.64Å; T822-I957 WeakPolarHBondContact O-CG1 3.26Å; T822-I957 PolarHBondContact O-N 2.55Å; M824-I957 HydrophobicContact SD-CB 4.46Å; M824-I957 HydrophobicContact SD-CG1 4.06Å; M824-I957 HydrophobicContact SD-CG2 4.48Å; L827-I957 HydrophobicContact CD1-CD1 3.95Å; L827-I957 HydrophobicContact CD1-CG1 4.37Å; L827-I957 HydrophobicContact CD2-CD1 3.85Å; L827-I957 HydrophobicContact CG-CD1 3.79Å; I957-K959 PolarHBondContact O-N 2.94Å; I957-A960 PolarHBondContact O-N 3.03Å; I957-A961 PolarHBondContact O-N 3.48Å |
| 958 | W | 94.8 | Very high | 84.7 | Confident | 20 Ų | 20 | 36.4 Ų | 36.4 | 8% | 0.076 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57.9 | -35.4 | 178.5 | 71.3 | -98.1 | 0 | 0 | 0 | 112.5 | E811 M814 R815 F818 D820 P956 R962 | E811-W958 HydrophobicContact CB-CZ3 4.38Å; E811-W958 HydrophobicContact CG-CZ3 4.23Å; M814-W958 HydrophobicContact CB-CB 3.78Å; M814-W958 VanDerWaalsContact O-CB 3.32Å; M814-W958 WeakPolarHBondContact O-CB 3.41Å; R815-W958 HydrophobicContact CG-CB 4.2Å; R815-W958 HydrophobicContact CG-CD2 3.65Å; R815-W958 HydrophobicContact CG-CE3 4.06Å; R815-W958 HydrophobicContact CG-CG 3.7Å; F818-W958 HydrophobicContact CD2-CB 4.34Å; D820-W958 PolarHBondContact O-NE1 2.96Å; P956-W958 VanDerWaalsContact C-N 3.33Å; P956-W958 HydrophobicContact CB-CG 4.45Å; P956-W958 PolarHBondContact O-N 3.04Å; W958-R962 VanDerWaalsContact O-CB 3.22Å; W958-R962 WeakPolarHBondContact O-CB 3.11Å; W958-R962 PolarHBondContact O-N 3.31Å |
| 959 | K | 94.4 | Very high | 85 | Confident | 97 Ų | 97 | 33.5 Ų | 33.5 | 42% | 0.422 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -76.6 | -36.4 | -178.5 | -161.3 | 174.9 | -176 | 178.8 | 0 | 111.6 | P956 I957 A963 | P956-K959 HydrophobicContact CB-CB 4.33Å; P956-K959 WeakPolarHBondContact O-CB 3.4Å; P956-K959 PolarHBondContact O-N 3.31Å; I957-K959 PolarHBondContact O-N 2.94Å; K959-A963 VanDerWaalsContact O-CB 3.24Å; K959-A963 WeakPolarHBondContact O-CB 3.44Å; K959-A963 PolarHBondContact O-N 3.44Å |
| 960 | A | 94.5 | Very high | 85.7 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.3 | -46 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | M824 F849 P956 I957 A963 S964 | M824-A960 HydrophobicContact CG-CB 4.43Å; M824-A960 HydrophobicContact SD-CB 3.91Å; F849-A960 HydrophobicContact CB-CB 3.76Å; F849-A960 HydrophobicContact CD1-CB 4.26Å; F849-A960 HydrophobicContact CD2-CB 3.63Å; F849-A960 HydrophobicContact CE2-CB 4.25Å; F849-A960 HydrophobicContact CG-CB 3.62Å; P956-A960 PolarHBondContact O-N 3.15Å; I957-A960 PolarHBondContact O-N 3.03Å; A960-A963 PolarHBondContact O-N 3.33Å; A960-S964 WeakPolarHBondContact O-CB 3.43Å; A960-S964 PolarHBondContact O-N 3.19Å |
| 961 | A | 95 | Very high | 86.6 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.1 | -46.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L776 M814 F818 I957 A963 S964 S965 | L776-A961 HydrophobicContact CD1-CB 3.78Å; M814-A961 HydrophobicContact CE-CB 4.47Å; M814-A961 HydrophobicContact CG-CB 4.37Å; M814-A961 HydrophobicContact SD-CB 3.77Å; F818-A961 HydrophobicContact CE2-CB 4.1Å; I957-A961 PolarHBondContact O-N 3.48Å; A961-A963 PolarHBondContact O-N 3.13Å; A961-S964 PolarHBondContact O-N 2.98Å; A961-S965 WeakPolarHBondContact O-CB 3.43Å; A961-S965 PolarHBondContact O-N 2.87Å; A961-S965 VanDerWaalsContact O-N 3.14Å; A961-S965 PolarHBondContact O-OG 3.13Å |
| 962 | R | 94.8 | Very high | 87.6 | Confident | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.008 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62 | -40.8 | 177.6 | 171.7 | 62.4 | -174.6 | 95.1 | 8.9 | 113.1 | P807 E811 W958 S965 A966 R972 C974 | P807-R962 VanDerWaalsContact CB-NH2 3.28Å; E811-R962 HydrophobicContact CG-CB 4.36Å; E811-R962 VanDerWaalsContact CG-CD 3.44Å; E811-R962 HydrophobicContact CG-CG 3.6Å; E811-R962 IonicContact OE1-CZ 3.59Å; E811-R962 IonicContact OE1-NE 3.75Å; E811-R962 PolarHBondContact OE1-NE 3.24Å; E811-R962 IonicContact OE1-NH2 2.7Å; W958-R962 VanDerWaalsContact O-CB 3.22Å; W958-R962 WeakPolarHBondContact O-CB 3.11Å; W958-R962 PolarHBondContact O-N 3.31Å; R962-S965 PolarHBondContact O-N 3.38Å; R962-A966 PolarHBondContact O-N 3.07Å; R962-R972 PolarHBondContact NH2-O 3.01Å; R962-C974 HydrophobicContact CG-CB 4.28Å |
| 963 | A | 94.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.9 | -44.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | F849 K959 A960 A961 S965 A966 C974 F977 L978 | F849-A963 HydrophobicContact CE2-CB 3.63Å; F849-A963 HydrophobicContact CZ-CB 3.87Å; K959-A963 VanDerWaalsContact O-CB 3.24Å; K959-A963 WeakPolarHBondContact O-CB 3.44Å; K959-A963 PolarHBondContact O-N 3.44Å; A960-A963 PolarHBondContact O-N 3.33Å; A961-A963 PolarHBondContact O-N 3.13Å; A963-S965 PolarHBondContact O-N 2.91Å; A963-A966 WeakPolarHBondContact O-CB 3.46Å; A963-A966 PolarHBondContact O-N 3.31Å; A963-C974 HydrophobicContact CB-CB 4.05Å; A963-F977 HydrophobicContact CB-CB 3.67Å; A963-F977 HydrophobicContact CB-CD2 4.17Å; A963-F977 HydrophobicContact CB-CG 4.02Å; A963-L978 CarbonylContact O-C 3.52Å |
| 964 | S | 95.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.7 | -26.9 | 175.7 | -164.9 | 0 | 0 | 0 | 0 | 113.4 | S769 A772 T835 A960 A961 D979 G980 | S769-S964 WeakPolarHBondContact CA-O 3.5Å; S769-S964 PolarHBondContact N-O 3.37Å; S769-S964 PolarHBondContact N-OG 3.31Å; A772-S964 WeakPolarHBondContact CB-OG 3.42Å; T835-S964 WeakPolarHBondContact O-CA 3.19Å; T835-S964 VanDerWaalsContact O-CB 3.25Å; T835-S964 WeakPolarHBondContact O-CB 3.48Å; T835-S964 PolarHBondContact O-OG 3.43Å; A960-S964 WeakPolarHBondContact O-CB 3.43Å; A960-S964 PolarHBondContact O-N 3.19Å; A961-S964 PolarHBondContact O-N 2.98Å; S964-D979 VanDerWaalsContact O-CA 3.27Å; S964-D979 WeakPolarHBondContact O-CA 3.5Å; S964-G980 PolarHBondContact O-N 3.44Å |
| 965 | S | 91.9 | Very high | 90.4 | Very high | 12 Ų | 12 | 32.6 Ų | 32.6 | 8% | 0.084 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 12.3 | -178.5 | -46.7 | 0 | 0 | 0 | 0 | 114.2 | A961 R962 A963 A967 F971 D979 | A961-S965 WeakPolarHBondContact O-CB 3.43Å; A961-S965 PolarHBondContact O-N 2.87Å; A961-S965 VanDerWaalsContact O-N 3.14Å; A961-S965 PolarHBondContact O-OG 3.13Å; R962-S965 PolarHBondContact O-N 3.38Å; A963-S965 PolarHBondContact O-N 2.91Å; S965-A967 VanDerWaalsContact C-N 3.28Å; S965-A967 PolarHBondContact O-N 3.15Å; S965-F971 WeakPolarHBondContact O-CD2 3.28Å; S965-D979 WeakPolarHBondContact CA-OD2 3.41Å |
| 966 | A | 86.8 | Confident | 90.6 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -82.7 | 58.8 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | R962 A963 C974 D979 | R962-A966 PolarHBondContact O-N 3.07Å; A963-A966 WeakPolarHBondContact O-CB 3.46Å; A963-A966 PolarHBondContact O-N 3.31Å; A966-C974 HydrophobicContact CB-CB 4.32Å; A966-D979 PolarHBondContact O-N 3.02Å; A966-D979 VanDerWaalsContact O-N 3.08Å | ||
| 967 | A | 88.7 | Confident | 90.7 | Very high | 17 Ų | 17 | 32.5 Ų | 32.5 | 14% | 0.14 | 18% | 0.181 | C | C | . | . | trans | -69.9 | 119.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | S965 T969 Y970 F971 D979 | S965-A967 VanDerWaalsContact C-N 3.28Å; S965-A967 PolarHBondContact O-N 3.15Å; A967-T969 PolarHBondContact O-N 2.92Å; A967-Y970 HydrophobicContact CB-CD2 3.84Å; A967-Y970 PolarHBondContact O-N 3.26Å; A967-F971 PolarHBondContact O-N 2.75Å; A967-D979 HydrophobicContact CB-CB 4.06Å | ||
| 968 | P | 80.6 | Confident | 90.6 | Very high | 64 Ų | 64 | 33.6 Ų | 33.6 | 42% | 0.416 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -24.6 | -163.9 | -23.3 | 29.1 | 0 | 0 | 0 | 116.4 | L978 L982 | P968-L978 HydrophobicContact CG-CD1 4.06Å; P968-L978 HydrophobicContact CG-CD2 4.03Å; P968-L982 HydrophobicContact CG-CD1 3.78Å |
| 969 | T | 81.6 | Confident | 90.6 | Very high | 81 Ų | 81 | 33.2 Ų | 33.2 | 50% | 0.497 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -8.5 | 178.6 | 43.8 | 0 | 0 | 0 | 0 | 113.4 | R803 A967 | R803-T969 VanDerWaalsContact CD-O 3.31Å; R803-T969 WeakPolarHBondContact CD-O 3.24Å; A967-T969 PolarHBondContact O-N 2.92Å |
| 970 | Y | 87.5 | Confident | 90.6 | Very high | 30 Ų | 30 | 28.6 Ų | 28.6 | 12% | 0.118 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.1 | -37.6 | -178 | -60.8 | -89.6 | 0 | 0 | 0 | 112.2 | P804 Y805 A967 L1095 D1096 | P804-Y970 CarbonylContact C-O 3.49Å; P804-Y970 WeakPolarHBondContact CA-O 3.4Å; Y805-Y970 WeakPolarHBondContact CB-O 3.36Å; Y805-Y970 VanDerWaalsContact CD2-O 3.31Å; Y805-Y970 WeakPolarHBondContact CD2-O 3.36Å; Y805-Y970 HydrophobicContact CE2-CD1 4.33Å; Y805-Y970 PolarHBondContact N-O 3.02Å; A967-Y970 HydrophobicContact CB-CD2 3.84Å; A967-Y970 PolarHBondContact O-N 3.26Å; Y970-L1095 HydrophobicContact CE1-CB 4.27Å; Y970-L1095 HydrophobicContact CE2-CB 4.34Å; Y970-L1095 HydrophobicContact CE2-CD1 3.66Å; Y970-D1096 HydrophobicContact CD1-CB 3.85Å; Y970-D1096 HydrophobicContact CE1-CB 3.74Å; Y970-D1096 VanDerWaalsContact CE1-CG 3.45Å |
| 971 | F | 90.2 | Very high | 90.5 | Very high | 12 Ų | 12 | 28.7 Ų | 28.7 | 5% | 0.053 | 17% | 0.167 | C | C | . | . | B | Isolated β-bridge | trans | -133.2 | 160.7 | -177.6 | -60.9 | -72.8 | 0 | 0 | 0 | 112 | I798 F799 L810 S965 A967 | I798-F971 HydrophobicContact CG2-CE1 3.57Å; I798-F971 HydrophobicContact CG2-CZ 3.48Å; I798-F971 VanDerWaalsContact CG2-CZ 3.48Å; F799-F971 HydrophobicContact CD1-CZ 4.27Å; F799-F971 AromaticContact CE1-CE2 3.99Å; F799-F971 HydrophobicContact CE1-CE2 3.99Å; F799-F971 AromaticContact CE1-CZ 3.63Å; F799-F971 HydrophobicContact CE1-CZ 3.63Å; F799-F971 HydrophobicContact CZ-CZ 4.4Å; L810-F971 HydrophobicContact CD2-CD1 4.39Å; L810-F971 HydrophobicContact CD2-CD2 4.48Å; L810-F971 HydrophobicContact CD2-CE1 4.11Å; L810-F971 HydrophobicContact CD2-CE2 4.21Å; L810-F971 HydrophobicContact CD2-CZ 4.01Å; S965-F971 WeakPolarHBondContact O-CD2 3.28Å; A967-F971 PolarHBondContact O-N 2.75Å |
| 972 | R | 89.8 | Confident | 90.4 | Very high | 161 Ų | 161 | 31.1 Ų | 31.1 | 61% | 0.608 | 18% | 0.18 | S | C | * | . | trans | -70.4 | 153.1 | 164.8 | -65.4 | -62.5 | -172.7 | 168.1 | 1.4 | 111.1 | R962 | R962-R972 PolarHBondContact NH2-O 3.01Š| ||
| 973 | P | 87.4 | Confident | 90.3 | Very high | 64 Ų | 64 | 34.3 Ų | 34.3 | 42% | 0.416 | 20% | 0.196 | S | C | . | . | trans | -54.4 | 145.5 | 174.5 | -21.9 | 31.3 | 0 | 0 | 0 | 112.3 | G975 L978 | P973-G975 VanDerWaalsContact C-N 3.29Å; P973-G975 WeakPolarHBondContact CB-O 3.31Å; P973-G975 PolarHBondContact O-N 3.13Å; P973-G975 VanDerWaalsContact O-N 3.09Å; P973-L978 HydrophobicContact CB-CD2 3.76Å; P973-L978 HydrophobicContact CG-CD2 3.79Å | ||
| 974 | C | 89.5 | Confident | 90.4 | Very high | 10 Ų | 10 | 34.6 Ų | 34.6 | 7% | 0.068 | 20% | 0.198 | C | C | . | . | B | Isolated β-bridge | trans | -84.6 | 76.5 | 171 | -172.2 | 0 | 0 | 0 | 0 | 108.7 | R962 A963 A966 R976 F977 | R962-C974 HydrophobicContact CG-CB 4.28Å; A963-C974 HydrophobicContact CB-CB 4.05Å; A966-C974 HydrophobicContact CB-CB 4.32Å; C974-R976 PolarHBondContact O-N 3.07Å; C974-R976 VanDerWaalsContact O-N 3.12Å; C974-F977 HydrophobicContact CB-CB 4.29Å; C974-F977 PolarHBondContact N-O 3.35Å; C974-F977 WeakPolarHBondContact O-CD2 3.34Å; C974-F977 PolarHBondContact O-N 3.25Å; C974-F977 VanDerWaalsContact O-N 3.13Å |
| 975 | G | 88.2 | Confident | 90.3 | Very high | 70 Ų | 70 | 35.4 Ų | 35.4 | 72% | 0.722 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.2 | -111 | -168.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | P973 | P973-G975 VanDerWaalsContact C-N 3.29Å; P973-G975 WeakPolarHBondContact CB-O 3.31Å; P973-G975 PolarHBondContact O-N 3.13Å; P973-G975 VanDerWaalsContact O-N 3.09Å |
| 976 | R | 90.2 | Very high | 90.6 | Very high | 27 Ų | 27 | 35 Ų | 35 | 10% | 0.102 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 5.4 | 177 | 58 | 174.7 | 155.4 | 166.6 | -6.5 | 115.1 | S839 D840 E947 K948 C974 | S839-R976 PolarHBondContact N-O 3.32Å; S839-R976 PolarHBondContact OG-O 2.65Å; D840-R976 HydrophobicContact CB-CB 3.89Å; D840-R976 WeakPolarHBondContact OD2-CD 3.31Å; D840-R976 IonicContact OD2-NH1 2.85Å; D840-R976 PolarHBondContact OD2-NH1 3.37Å; E947-R976 PolarHBondContact O-NH1 3.18Å; E947-R976 IonicContact OE2-CZ 2.7Å; E947-R976 IonicContact OE2-NE 3.33Å; E947-R976 PolarHBondContact OE2-NE 2.94Å; E947-R976 IonicContact OE2-NH2 3.78Å; E947-R976 PolarHBondContact OE2-NH2 2.85Å; K948-R976 PolarHBondContact O-NH2 2.77Å; C974-R976 PolarHBondContact O-N 3.07Å; C974-R976 VanDerWaalsContact O-N 3.12Å |
| 977 | F | 93.8 | Very high | 91.1 | Very high | 15 Ų | 15 | 35 Ų | 35 | 7% | 0.066 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 137 | -174.8 | -60.9 | -68 | 0 | 0 | 0 | 112.4 | T836 L837 V838 H847 F849 M949 A963 C974 | T836-F977 HydrophobicContact CG2-CD1 3.65Å; T836-F977 HydrophobicContact CG2-CE1 4.08Å; T836-F977 HydrophobicContact CG2-CG 4.46Å; L837-F977 WeakPolarHBondContact O-CA 3.42Å; V838-F977 HydrophobicContact CG2-CD1 4.19Å; V838-F977 HydrophobicContact CG2-CE1 3.98Å; H847-F977 AromaticContact CD2-CE1 3.89Å; F849-F977 HydrophobicContact CE1-CE1 4.35Å; F849-F977 HydrophobicContact CE1-CE2 4.36Å; F849-F977 HydrophobicContact CE1-CZ 4.01Å; F849-F977 HydrophobicContact CZ-CD1 4.11Å; F849-F977 HydrophobicContact CZ-CD2 4.2Å; F849-F977 AromaticContact CZ-CE1 3.89Å; F849-F977 HydrophobicContact CZ-CE1 3.89Å; F849-F977 AromaticContact CZ-CE2 3.98Å; F849-F977 HydrophobicContact CZ-CE2 3.98Å; F849-F977 HydrophobicContact CZ-CG 4.26Å; F849-F977 AromaticContact CZ-CZ 3.82Å; F849-F977 HydrophobicContact CZ-CZ 3.82Å; M949-F977 HydrophobicContact CE-CE1 4.12Å; M949-F977 HydrophobicContact CE-CZ 4.39Å; A963-F977 HydrophobicContact CB-CB 3.67Å; A963-F977 HydrophobicContact CB-CD2 4.17Å; A963-F977 HydrophobicContact CB-CG 4.02Å; C974-F977 HydrophobicContact CB-CB 4.29Å; C974-F977 PolarHBondContact N-O 3.35Å; C974-F977 WeakPolarHBondContact O-CD2 3.34Å; C974-F977 PolarHBondContact O-N 3.25Å; C974-F977 VanDerWaalsContact O-N 3.13Å |
| 978 | L | 93.6 | Very high | 91.5 | Very high | 24 Ų | 24 | 34.2 Ų | 34.2 | 13% | 0.126 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 165.4 | 171 | -66.6 | -178.6 | 0 | 0 | 0 | 110.5 | T836 L837 A963 P968 P973 G980 L982 | T836-L978 PolarHBondContact OG1-O 2.96Å; L837-L978 HydrophobicContact CB-CB 4.29Å; L837-L978 HydrophobicContact CD2-CB 4.19Å; L837-L978 HydrophobicContact CD2-CD1 4.17Å; L837-L978 PolarHBondContact N-O 2.81Å; L837-L978 PolarHBondContact O-N 3.33Å; A963-L978 CarbonylContact O-C 3.52Å; P968-L978 HydrophobicContact CG-CD1 4.06Å; P968-L978 HydrophobicContact CG-CD2 4.03Å; P973-L978 HydrophobicContact CB-CD2 3.76Å; P973-L978 HydrophobicContact CG-CD2 3.79Å; L978-G980 PolarHBondContact O-N 3.05Å; L978-L982 HydrophobicContact CB-CD1 4.11Å; L978-L982 HydrophobicContact CD1-CD1 4.08Å |
| 979 | D | 94.4 | Very high | 92.3 | Very high | 11 Ų | 11 | 33 Ų | 33 | 6% | 0.059 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -52 | 134 | 179.2 | -163.5 | -61.6 | 0 | 0 | 0 | 112.3 | S769 S964 S965 A966 A967 G981 L982 | S769-D979 WeakPolarHBondContact CB-OD1 3.1Å; S769-D979 VanDerWaalsContact CB-OD2 3.31Å; S769-D979 WeakPolarHBondContact CB-OD2 3.46Å; S769-D979 PolarHBondContact OG-OD2 3.04Å; S964-D979 VanDerWaalsContact O-CA 3.27Å; S964-D979 WeakPolarHBondContact O-CA 3.5Å; S965-D979 WeakPolarHBondContact CA-OD2 3.41Å; A966-D979 PolarHBondContact O-N 3.02Å; A966-D979 VanDerWaalsContact O-N 3.08Å; A967-D979 HydrophobicContact CB-CB 4.06Å; D979-G981 PolarHBondContact O-N 2.78Å; D979-G981 VanDerWaalsContact O-N 3.14Å; D979-G981 WeakPolarHBondContact OD1-CA 2.86Å; D979-G981 PolarHBondContact OD1-N 2.92Å; D979-L982 PolarHBondContact O-N 3.35Å |
| 980 | G | 93.5 | Very high | 93 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -61.3 | -21 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | T768 S964 L978 L982 I983 S984 | T768-G980 VanDerWaalsContact CG2-C 3.44Å; S964-G980 PolarHBondContact O-N 3.44Å; L978-G980 PolarHBondContact O-N 3.05Å; G980-L982 PolarHBondContact O-N 3.05Å; G980-L982 VanDerWaalsContact O-N 3.11Å; G980-I983 WeakPolarHBondContact O-CG2 3.41Å; G980-I983 PolarHBondContact O-N 3.43Å; G980-S984 CarbonylContact O-C 3.43Å; G980-S984 PolarHBondContact O-N 2.83Å |
| 981 | G | 93.6 | Very high | 93.4 | Very high | 2 Ų | 2 | 29.7 Ų | 29.7 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -59.6 | -19.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | T768 D979 I983 N985 T1061 | T768-G981 VanDerWaalsContact CG2-N 3.31Å; D979-G981 PolarHBondContact O-N 2.78Å; D979-G981 VanDerWaalsContact O-N 3.14Å; D979-G981 WeakPolarHBondContact OD1-CA 2.86Å; D979-G981 PolarHBondContact OD1-N 2.92Å; G981-I983 VanDerWaalsContact C-N 3.26Å; G981-I983 PolarHBondContact O-N 3.06Å; G981-N985 WeakPolarHBondContact CA-OD1 3.28Å; G981-T1061 WeakPolarHBondContact O-CA 3.3Å; G981-T1061 WeakPolarHBondContact O-CG2 3.35Å |
| 982 | L | 92.5 | Very high | 93.6 | Very high | 52 Ų | 52 | 30 Ų | 30 | 27% | 0.272 | 17% | 0.166 | S | C | . | . | G | 310 helix | trans | -76.4 | -9.1 | 174.7 | -67.3 | 174.6 | 0 | 0 | 0 | 114.5 | L837 P968 L978 D979 G980 T1061 | L837-L982 HydrophobicContact CD1-CB 3.64Å; L837-L982 HydrophobicContact CD1-CD1 4.24Å; P968-L982 HydrophobicContact CG-CD1 3.78Å; L978-L982 HydrophobicContact CB-CD1 4.11Å; L978-L982 HydrophobicContact CD1-CD1 4.08Å; D979-L982 PolarHBondContact O-N 3.35Å; G980-L982 PolarHBondContact O-N 3.05Å; G980-L982 VanDerWaalsContact O-N 3.11Å; L982-T1061 HydrophobicContact CD2-CG2 4.22Å |
| 983 | I | 93.2 | Very high | 93.9 | Very high | 69 Ų | 69 | 26.1 Ų | 26.1 | 35% | 0.354 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -141.2 | -27.1 | -172.7 | -170.2 | 155.3 | 0 | 0 | 0 | 113.7 | L837 L846 G980 G981 | L837-I983 HydrophobicContact CB-CG2 3.96Å; L837-I983 HydrophobicContact CD1-CB 4.22Å; L837-I983 HydrophobicContact CD1-CG2 4.47Å; L846-I983 HydrophobicContact CB-CD1 3.98Å; L846-I983 HydrophobicContact CB-CG1 4.31Å; L846-I983 HydrophobicContact CD1-CG2 4.07Å; G980-I983 WeakPolarHBondContact O-CG2 3.41Å; G980-I983 PolarHBondContact O-N 3.43Å; G981-I983 VanDerWaalsContact C-N 3.26Å; G981-I983 PolarHBondContact O-N 3.06Å |
| 984 | S | 94.9 | Very high | 94.1 | Very high | 5 Ų | 5 | 23.2 Ų | 23.2 | 4% | 0.035 | 14% | 0.141 | C | C | . | . | trans | -156.7 | 62.1 | -172.7 | 177.9 | 0 | 0 | 0 | 0 | 108.7 | T768 T835 G980 N986 P987 D990 | T768-S984 WeakPolarHBondContact CG2-O 3.24Å; T768-S984 PolarHBondContact OG1-O 3.15Å; T835-S984 PolarHBondContact OG1-O 3.07Å; G980-S984 CarbonylContact O-C 3.43Å; G980-S984 PolarHBondContact O-N 2.83Å; S984-N986 VanDerWaalsContact C-N 3.32Å; S984-P987 WeakPolarHBondContact OG-CA 3.43Å; S984-P987 WeakPolarHBondContact OG-CB 3.28Å; S984-D990 WeakPolarHBondContact CB-OD2 3.22Å; S984-D990 VanDerWaalsContact OG-CG 3.24Å; S984-D990 PolarHBondContact OG-OD2 3.13Å | ||
| 985 | N | 95.3 | Very high | 94.3 | Very high | 17 Ų | 17 | 22.8 Ų | 22.8 | 9% | 0.091 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -74.2 | -23.4 | -179.7 | -156.9 | 31.9 | 0 | 0 | 0 | 114 | D734 G735 G981 T1061 | D734-N985 VanDerWaalsContact CA-O 3.28Å; D734-N985 WeakPolarHBondContact CA-O 3.36Å; G735-N985 WeakPolarHBondContact CA-OD1 3.44Å; G735-N985 PolarHBondContact N-O 3.25Å; G735-N985 PolarHBondContact N-OD1 3Å; G735-N985 PolarHBondContact O-ND2 3.45Å; G735-N985 VanDerWaalsContact O-ND2 3.08Å; G735-N985 PolarHBondContact O-OD1 2.98Å; G981-N985 WeakPolarHBondContact CA-OD1 3.28Å; N985-T1061 PolarHBondContact ND2-O 3.29Å |
| 986 | N | 97.2 | Very high | 94.4 | Very high | 4 Ų | 4 | 22.8 Ų | 22.8 | 2% | 0.021 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -119.2 | 97.6 | 164.6 | 176.8 | -32.9 | 0 | 0 | 0 | 106.6 | D734 S984 T988 S1017 S1063 V1067 R1084 | D734-N986 WeakPolarHBondContact OD1-CA 3.3Å; D734-N986 WeakPolarHBondContact OD1-CB 3.39Å; D734-N986 PolarHBondContact OD1-ND2 3.22Å; S984-N986 VanDerWaalsContact C-N 3.32Å; N986-T988 PolarHBondContact O-N 2.6Å; N986-T988 VanDerWaalsContact OD1-CB 3.23Å; N986-T988 WeakPolarHBondContact OD1-CB 3.46Å; N986-T988 PolarHBondContact OD1-N 3.18Å; N986-T988 PolarHBondContact OD1-OG1 3.45Å; N986-S1017 PolarHBondContact ND2-OG 3.24Å; N986-S1063 WeakPolarHBondContact CB-O 3.44Å; N986-S1063 PolarHBondContact ND2-O 2.79Å; N986-V1067 HydrophobicContact CB-CG1 3.96Å; N986-V1067 HydrophobicContact CB-CG2 4.07Å; N986-R1084 PolarHBondContact ND2-NH1 2.87Å; N986-R1084 VanDerWaalsContact ND2-NH1 3.2Å |
| 987 | P | 97.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 18.1 | -168.7 | 32.7 | -37.1 | 0 | 0 | 0 | 114.2 | I766 T768 T835 S984 L989 D990 V991 | I766-P987 HydrophobicContact CB-CG 4.49Å; I766-P987 HydrophobicContact CD1-CB 3.77Å; I766-P987 HydrophobicContact CD1-CG 4.46Å; I766-P987 HydrophobicContact CG1-CB 3.8Å; I766-P987 HydrophobicContact CG1-CG 3.96Å; I766-P987 HydrophobicContact CG2-CB 4.22Å; I766-P987 HydrophobicContact CG2-CG 3.95Å; T768-P987 WeakPolarHBondContact OG1-CG 3.24Å; T835-P987 HydrophobicContact CG2-CB 3.84Å; S984-P987 WeakPolarHBondContact OG-CA 3.43Å; S984-P987 WeakPolarHBondContact OG-CB 3.28Å; P987-L989 PolarHBondContact O-N 2.99Å; P987-D990 PolarHBondContact O-N 2.75Å; P987-V991 PolarHBondContact O-N 3.2Å |
| 988 | T | 97.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -64.6 | -39.3 | -177 | -53.3 | 0 | 0 | 0 | 0 | 112.4 | S732 N986 D990 V991 L992 V1015 S1017 A1071 F1082 | S732-T988 VanDerWaalsContact CB-OG1 3.3Å; S732-T988 WeakPolarHBondContact CB-OG1 3.21Å; S732-T988 PolarHBondContact OG-N 3.36Å; S732-T988 PolarHBondContact OG-OG1 3.04Å; N986-T988 PolarHBondContact O-N 2.6Å; N986-T988 VanDerWaalsContact OD1-CB 3.23Å; N986-T988 WeakPolarHBondContact OD1-CB 3.46Å; N986-T988 PolarHBondContact OD1-N 3.18Å; N986-T988 PolarHBondContact OD1-OG1 3.45Å; T988-D990 VanDerWaalsContact C-N 3.34Å; T988-V991 WeakPolarHBondContact O-CG1 3.37Å; T988-L992 HydrophobicContact CG2-CD1 4.29Å; T988-L992 WeakPolarHBondContact O-CB 3.37Å; T988-L992 VanDerWaalsContact O-CG 3.26Å; T988-L992 WeakPolarHBondContact O-CG 3.45Å; T988-L992 PolarHBondContact O-N 3.08Å; T988-L992 VanDerWaalsContact O-N 3.12Å; T988-V1015 HydrophobicContact CG2-CG1 3.66Å; T988-S1017 PolarHBondContact OG1-OG 3.25Å; T988-A1071 HydrophobicContact CG2-CB 3.78Å; T988-F1082 HydrophobicContact CG2-CE2 4Å |
| 989 | L | 96.4 | Very high | 94.2 | Very high | 40 Ų | 40 | 21.5 Ų | 21.5 | 21% | 0.209 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -70.8 | -32.4 | 177.6 | -68.1 | 176.8 | 0 | 0 | 0 | 112 | P987 T993 V1067 R1070 A1071 | P987-L989 PolarHBondContact O-N 2.99Å; L989-T993 WeakPolarHBondContact O-CB 3.03Å; L989-T993 PolarHBondContact O-N 3.38Å; L989-T993 PolarHBondContact O-OG1 3.37Å; L989-V1067 HydrophobicContact CD1-CG2 4.05Å; L989-R1070 HydrophobicContact CD1-CB 4.03Å; L989-R1070 HydrophobicContact CD2-CB 4.22Å; L989-A1071 HydrophobicContact CD2-CB 4Å; L989-A1071 HydrophobicContact CG-CB 4.42Å |
| 990 | D | 96.3 | Very high | 93.9 | Very high | 39 Ų | 39 | 21.8 Ų | 21.8 | 21% | 0.209 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -72.6 | -43.6 | -179.6 | -53.8 | -81.8 | 0 | 0 | 0 | 111.3 | L846 S984 P987 T988 T993 E994 | L846-D990 HydrophobicContact CD2-CB 4.22Å; L846-D990 WeakPolarHBondContact CD2-OD1 3.36Å; S984-D990 WeakPolarHBondContact CB-OD2 3.22Å; S984-D990 VanDerWaalsContact OG-CG 3.24Å; S984-D990 PolarHBondContact OG-OD2 3.13Å; P987-D990 PolarHBondContact O-N 2.75Å; T988-D990 VanDerWaalsContact C-N 3.34Å; D990-T993 WeakPolarHBondContact O-CB 3.38Å; D990-T993 PolarHBondContact O-N 2.69Å; D990-E994 PolarHBondContact O-N 2.94Å |
| 991 | V | 95.6 | Very high | 93.7 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.006 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -68.9 | -34.9 | 173.5 | 70.5 | 0 | 0 | 0 | 0 | 112.5 | V730 W764 I766 P987 T988 T993 E994 I995 | V730-V991 HydrophobicContact CG1-CG1 3.88Å; V730-V991 HydrophobicContact CG1-CG2 3.99Å; W764-V991 HydrophobicContact CD2-CG2 4.37Å; W764-V991 HydrophobicContact CG-CG2 4.36Å; I766-V991 HydrophobicContact CB-CB 4.26Å; I766-V991 HydrophobicContact CB-CG2 4.47Å; I766-V991 HydrophobicContact CD1-CB 3.98Å; I766-V991 HydrophobicContact CG2-CB 3.76Å; I766-V991 HydrophobicContact CG2-CG1 3.7Å; I766-V991 HydrophobicContact CG2-CG2 4.26Å; P987-V991 PolarHBondContact O-N 3.2Å; T988-V991 WeakPolarHBondContact O-CG1 3.37Å; V991-T993 VanDerWaalsContact C-N 3.28Å; V991-T993 PolarHBondContact O-N 3.5Å; V991-E994 PolarHBondContact O-N 3.01Å; V991-I995 HydrophobicContact CG2-CD1 4Å; V991-I995 HydrophobicContact CG2-CG1 4.35Å; V991-I995 WeakPolarHBondContact O-CB 3.4Å; V991-I995 WeakPolarHBondContact O-CD1 3.4Å; V991-I995 WeakPolarHBondContact O-CG1 3.48Å; V991-I995 PolarHBondContact O-N 3.11Å |
| 992 | L | 95.1 | Very high | 93.4 | Very high | 19 Ų | 19 | 22.4 Ų | 22.4 | 10% | 0.099 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.2 | -40.2 | 170.6 | -79.6 | 170.2 | 0 | 0 | 0 | 111.6 | T988 Q996 I1012 V1015 | T988-L992 HydrophobicContact CG2-CD1 4.29Å; T988-L992 WeakPolarHBondContact O-CB 3.37Å; T988-L992 VanDerWaalsContact O-CG 3.26Å; T988-L992 WeakPolarHBondContact O-CG 3.45Å; T988-L992 PolarHBondContact O-N 3.08Å; T988-L992 VanDerWaalsContact O-N 3.12Å; L992-Q996 WeakPolarHBondContact O-CB 3.4Å; L992-Q996 PolarHBondContact O-N 3.03Å; L992-I1012 HydrophobicContact CD2-CD1 4.02Å; L992-V1015 HydrophobicContact CD2-CG2 4.17Å |
| 993 | T | 95 | Very high | 93.1 | Very high | 79 Ų | 79 | 21.4 Ų | 21.4 | 49% | 0.485 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -64.1 | -47.7 | 175.3 | -57.9 | 0 | 0 | 0 | 0 | 111.1 | L989 D990 V991 I995 Q996 E997 | L989-T993 WeakPolarHBondContact O-CB 3.03Å; L989-T993 PolarHBondContact O-N 3.38Å; L989-T993 PolarHBondContact O-OG1 3.37Å; D990-T993 WeakPolarHBondContact O-CB 3.38Å; D990-T993 PolarHBondContact O-N 2.69Å; V991-T993 VanDerWaalsContact C-N 3.28Å; V991-T993 PolarHBondContact O-N 3.5Å; T993-I995 PolarHBondContact O-N 3.15Å; T993-Q996 WeakPolarHBondContact O-CB 3.38Å; T993-Q996 PolarHBondContact O-N 3.09Å; T993-Q996 VanDerWaalsContact O-N 3.13Å; T993-E997 PolarHBondContact O-N 2.9Å |
| 994 | E | 92.9 | Very high | 92.7 | Very high | 3 Ų | 3 | 18.2 Ų | 18.2 | 1% | 0.014 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -68.4 | -32.9 | -179.8 | -172.4 | 162.1 | -122.4 | 0 | 0 | 113.3 | W764 M848 R850 Y852 P855 D990 V991 Q996 E997 L998 | W764-E994 HydrophobicContact CH2-CG 4.27Å; W764-E994 HydrophobicContact CZ2-CG 4.02Å; M848-E994 WeakPolarHBondContact CE-OE2 3.36Å; R850-E994 IonicContact CZ-OE1 2.78Å; R850-E994 IonicContact NE-OE1 2.77Å; R850-E994 PolarHBondContact NE-OE1 3.3Å; R850-E994 IonicContact NE-OE2 2.7Å; R850-E994 IonicContact NH2-OE1 3.76Å; R850-E994 PolarHBondContact NH2-OE1 3.34Å; Y852-E994 WeakPolarHBondContact CE2-OE2 3.49Å; Y852-E994 PolarHBondContact OH-OE2 2.88Å; P855-E994 VanDerWaalsContact CD-OE1 3.25Å; P855-E994 WeakPolarHBondContact CD-OE1 3.43Å; P855-E994 HydrophobicContact CG-CG 3.78Å; D990-E994 PolarHBondContact O-N 2.94Å; V991-E994 PolarHBondContact O-N 3.01Å; E994-Q996 VanDerWaalsContact C-N 3.35Å; E994-E997 PolarHBondContact O-N 2.69Å; E994-L998 PolarHBondContact O-N 2.92Å |
| 995 | I | 92.8 | Very high | 92.2 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.3 | -41.8 | 169.7 | -68.1 | 160.4 | 0 | 0 | 0 | 110.3 | L728 V730 W764 V991 T993 E997 L998 Q999 I1012 | L728-I995 HydrophobicContact CD1-CG1 4.47Å; L728-I995 HydrophobicContact CD1-CG2 4.13Å; V730-I995 HydrophobicContact CG1-CD1 4.28Å; V730-I995 HydrophobicContact CG2-CD1 3.6Å; W764-I995 HydrophobicContact CD2-CG1 4.44Å; W764-I995 HydrophobicContact CE3-CD1 4.36Å; W764-I995 HydrophobicContact CE3-CG1 3.75Å; W764-I995 HydrophobicContact CH2-CG1 3.95Å; W764-I995 HydrophobicContact CZ3-CB 4.43Å; W764-I995 HydrophobicContact CZ3-CG1 3.48Å; W764-I995 VanDerWaalsContact CZ3-CG1 3.48Å; V991-I995 HydrophobicContact CG2-CD1 4Å; V991-I995 HydrophobicContact CG2-CG1 4.35Å; V991-I995 WeakPolarHBondContact O-CB 3.4Å; V991-I995 WeakPolarHBondContact O-CD1 3.4Å; V991-I995 WeakPolarHBondContact O-CG1 3.48Å; V991-I995 PolarHBondContact O-N 3.11Å; T993-I995 PolarHBondContact O-N 3.15Å; I995-E997 VanDerWaalsContact C-N 3.29Å; I995-E997 PolarHBondContact O-N 3.15Å; I995-L998 PolarHBondContact O-N 3.31Å; I995-L998 VanDerWaalsContact O-N 3.14Å; I995-Q999 HydrophobicContact CG2-CG 4.4Å; I995-Q999 WeakPolarHBondContact O-CG 3.29Å; I995-Q999 PolarHBondContact O-N 3.37Å; I995-I1012 HydrophobicContact CB-CD1 4.49Å; I995-I1012 HydrophobicContact CD1-CD1 4.41Å; I995-I1012 HydrophobicContact CG2-CD1 3.73Å; I995-I1012 HydrophobicContact CG2-CG1 3.85Å |
| 996 | Q | 91.6 | Very high | 91.7 | Very high | 71 Ų | 71 | 26.8 Ų | 26.8 | 33% | 0.332 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -64.5 | -35.5 | 178.1 | -171.4 | 59.3 | 91.4 | 0 | 0 | 111.9 | L992 T993 E994 Q999 L1000 | L992-Q996 WeakPolarHBondContact O-CB 3.4Å; L992-Q996 PolarHBondContact O-N 3.03Å; T993-Q996 WeakPolarHBondContact O-CB 3.38Å; T993-Q996 PolarHBondContact O-N 3.09Å; T993-Q996 VanDerWaalsContact O-N 3.13Å; E994-Q996 VanDerWaalsContact C-N 3.35Å; Q996-Q999 VanDerWaalsContact NE2-OE1 3.08Å; Q996-L1000 WeakPolarHBondContact O-CB 3.5Å; Q996-L1000 PolarHBondContact O-N 3.3Å |
| 997 | E | 92.1 | Very high | 91.1 | Very high | 22 Ų | 22 | 29.3 Ų | 29.3 | 10% | 0.103 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67 | -40.4 | 169.9 | -67.6 | -176.1 | 152.3 | 0 | 0 | 112.6 | P855 R856 I859 T993 E994 I995 Q999 L1000 L1001 | P855-E997 HydrophobicContact CB-CB 3.85Å; R856-E997 WeakPolarHBondContact CB-OE2 3.47Å; R856-E997 WeakPolarHBondContact CD-OE1 3.37Å; R856-E997 WeakPolarHBondContact CG-OE1 3.42Å; R856-E997 IonicContact CZ-OE1 3.65Å; R856-E997 IonicContact NE-OE1 2.8Å; R856-E997 IonicContact NH1-OE1 3.65Å; R856-E997 PolarHBondContact NH1-OE1 3.14Å; I859-E997 HydrophobicContact CD1-CB 4.17Å; T993-E997 PolarHBondContact O-N 2.9Å; E994-E997 PolarHBondContact O-N 2.69Å; I995-E997 VanDerWaalsContact C-N 3.29Å; I995-E997 PolarHBondContact O-N 3.15Å; E997-Q999 PolarHBondContact O-N 2.87Å; E997-L1000 WeakPolarHBondContact O-CB 3.47Å; E997-L1000 PolarHBondContact O-N 3.25Å; E997-L1001 WeakPolarHBondContact O-CB 3.45Å; E997-L1001 PolarHBondContact O-N 3.35Å |
| 998 | L | 90.4 | Very high | 90.4 | Very high | 14 Ų | 14 | 33.2 Ų | 33.2 | 7% | 0.073 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.9 | -43.9 | 174.8 | -179.3 | 64.3 | 0 | 0 | 0 | 111.6 | W764 P855 E994 I995 L1000 L1001 Q1002 | W764-L998 HydrophobicContact CH2-CB 4.42Å; W764-L998 HydrophobicContact CH2-CD2 3.92Å; W764-L998 HydrophobicContact CZ3-CD2 3.58Å; P855-L998 HydrophobicContact CB-CB 4.34Å; P855-L998 HydrophobicContact CG-CB 4.06Å; P855-L998 HydrophobicContact CG-CD1 4.44Å; E994-L998 PolarHBondContact O-N 2.92Å; I995-L998 PolarHBondContact O-N 3.31Å; I995-L998 VanDerWaalsContact O-N 3.14Å; L998-L1000 VanDerWaalsContact C-N 3.3Å; L998-L1000 PolarHBondContact O-N 3.03Å; L998-L1001 HydrophobicContact CD1-CD2 4.42Å; L998-L1001 WeakPolarHBondContact O-CB 3.48Å; L998-L1001 PolarHBondContact O-N 3.48Å; L998-Q1002 WeakPolarHBondContact O-CG 3.45Å; L998-Q1002 PolarHBondContact O-N 3.22Å |
| 999 | Q | 90.3 | Very high | 89.8 | Confident | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.009 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.4 | -34.7 | 175.6 | -69.6 | 178.2 | -11.9 | 0 | 0 | 112.3 | M499 I995 Q996 E997 Q1002 R1003 I1009 T1010 | M499-Q999 VanDerWaalsContact CE-OE1 3.3Å; M499-Q999 PolarHBondContact SD-OE1 2.84Å; M499-Q999 VanDerWaalsContact SD-OE1 3.38Å; I995-Q999 HydrophobicContact CG2-CG 4.4Å; I995-Q999 WeakPolarHBondContact O-CG 3.29Å; I995-Q999 PolarHBondContact O-N 3.37Å; Q996-Q999 VanDerWaalsContact NE2-OE1 3.08Å; E997-Q999 PolarHBondContact O-N 2.87Å; Q999-Q1002 WeakPolarHBondContact O-CB 3.45Å; Q999-Q1002 PolarHBondContact O-N 3.08Å; Q999-R1003 WeakPolarHBondContact O-CG 3.34Å; Q999-R1003 PolarHBondContact O-N 3.49Å; Q999-I1009 HydrophobicContact CB-CG2 4Å; Q999-I1009 HydrophobicContact CG-CG2 3.74Å; Q999-T1010 PolarHBondContact NE2-O 3.18Å |
| 1000 | L | 88.7 | Confident | 89.4 | Confident | 17 Ų | 17 | 33.6 Ų | 33.6 | 9% | 0.089 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.9 | -42.7 | 172.2 | 169.7 | 64.5 | 0 | 0 | 0 | 111.8 | I859 I915 F919 Q996 E997 L998 Q1002 R1003 L1004 | I859-L1000 HydrophobicContact CD1-CB 4.43Å; I859-L1000 HydrophobicContact CD1-CD2 3.77Å; I859-L1000 HydrophobicContact CD1-CG 4.05Å; I915-L1000 HydrophobicContact CG2-CD1 3.59Å; F919-L1000 HydrophobicContact CD2-CD2 4.49Å; F919-L1000 HydrophobicContact CE1-CD2 3.92Å; F919-L1000 HydrophobicContact CE2-CD1 3.72Å; F919-L1000 HydrophobicContact CE2-CD2 3.56Å; F919-L1000 HydrophobicContact CE2-CG 4.29Å; F919-L1000 HydrophobicContact CZ-CD1 4.24Å; F919-L1000 HydrophobicContact CZ-CD2 3.23Å; F919-L1000 HydrophobicContact CZ-CG 4.37Å; Q996-L1000 WeakPolarHBondContact O-CB 3.5Å; Q996-L1000 PolarHBondContact O-N 3.3Å; E997-L1000 WeakPolarHBondContact O-CB 3.47Å; E997-L1000 PolarHBondContact O-N 3.25Å; L998-L1000 VanDerWaalsContact C-N 3.3Å; L998-L1000 PolarHBondContact O-N 3.03Å; L1000-Q1002 VanDerWaalsContact C-N 3.3Å; L1000-Q1002 PolarHBondContact O-N 3.41Å; L1000-R1003 WeakPolarHBondContact O-CB 3.44Å; L1000-R1003 PolarHBondContact O-N 2.97Å; L1000-L1004 HydrophobicContact CD1-CD1 4.34Å; L1000-L1004 HydrophobicContact CD1-CG 4.37Å; L1000-L1004 HydrophobicContact CG-CD1 4.31Å; L1000-L1004 WeakPolarHBondContact O-CG 3.48Å; L1000-L1004 PolarHBondContact O-N 2.95Å |
| 1001 | L | 88.2 | Confident | 89.1 | Confident | 6 Ų | 6 | 32.4 Ų | 32.4 | 3% | 0.031 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.3 | -40.5 | 173.5 | 178.2 | 63.5 | 0 | 0 | 0 | 111.3 | R858 I859 I862 E997 L998 L1004 K1005 | R858-L1001 HydrophobicContact CB-CD1 3.98Å; R858-L1001 HydrophobicContact CB-CD2 3.77Å; R858-L1001 HydrophobicContact CG-CD2 4.46Å; I859-L1001 HydrophobicContact CD1-CB 4.41Å; I859-L1001 HydrophobicContact CG1-CB 4.03Å; I859-L1001 HydrophobicContact CG1-CD1 4.15Å; I862-L1001 HydrophobicContact CD1-CD1 3.53Å; E997-L1001 WeakPolarHBondContact O-CB 3.45Å; E997-L1001 PolarHBondContact O-N 3.35Å; L998-L1001 HydrophobicContact CD1-CD2 4.42Å; L998-L1001 WeakPolarHBondContact O-CB 3.48Å; L998-L1001 PolarHBondContact O-N 3.48Å; L1001-L1004 PolarHBondContact O-N 2.69Å; L1001-K1005 PolarHBondContact O-N 2.74Å |
| 1002 | Q | 88 | Confident | 89 | Confident | 9 Ų | 9 | 32.6 Ų | 32.6 | 4% | 0.042 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.7 | -48.4 | 172.1 | -72.2 | 171.3 | -16.6 | 0 | 0 | 111.2 | L998 Q999 L1000 L1004 K1005 N1006 K1007 P1008 T1010 | L998-Q1002 WeakPolarHBondContact O-CG 3.45Å; L998-Q1002 PolarHBondContact O-N 3.22Å; Q999-Q1002 WeakPolarHBondContact O-CB 3.45Å; Q999-Q1002 PolarHBondContact O-N 3.08Å; L1000-Q1002 VanDerWaalsContact C-N 3.3Å; L1000-Q1002 PolarHBondContact O-N 3.41Å; Q1002-L1004 PolarHBondContact O-N 2.91Å; Q1002-K1005 CarbonylContact O-C 3.57Å; Q1002-K1005 PolarHBondContact O-N 3.08Å; Q1002-N1006 PolarHBondContact O-N 3.34Å; Q1002-K1007 HydrophobicContact CB-CB 4.12Å; Q1002-K1007 HydrophobicContact CG-CB 4.37Å; Q1002-K1007 PolarHBondContact O-N 2.76Å; Q1002-P1008 PolarHBondContact OE1-O 3.35Å; Q1002-T1010 PolarHBondContact NE2-OG1 3.26Å |
| 1003 | R | 85.8 | Confident | 88.8 | Confident | 31 Ų | 31 | 32 Ų | 32 | 12% | 0.117 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.4 | -43.9 | 174 | -68 | 176.1 | -155.6 | -164.5 | 4.9 | 112.4 | M499 I915 Q999 L1000 K1005 N1006 I1009 | M499-R1003 PolarHBondContact O-NH1 3.35Å; M499-R1003 VanDerWaalsContact O-NH1 3.12Å; M499-R1003 PolarHBondContact SD-NH2 3.27Å; M499-R1003 VanDerWaalsContact SD-NH2 3.37Å; I915-R1003 HydrophobicContact CD1-CB 4.32Å; Q999-R1003 WeakPolarHBondContact O-CG 3.34Å; Q999-R1003 PolarHBondContact O-N 3.49Å; L1000-R1003 WeakPolarHBondContact O-CB 3.44Å; L1000-R1003 PolarHBondContact O-N 2.97Å; R1003-K1005 VanDerWaalsContact C-N 3.3Å; R1003-K1005 PolarHBondContact O-N 3.33Å; R1003-N1006 PolarHBondContact O-N 2.83Å; R1003-N1006 PolarHBondContact O-OD1 3.33Å; R1003-I1009 HydrophobicContact CG-CD1 3.95Å; R1003-I1009 HydrophobicContact CG-CG1 4.06Å |
| 1004 | L | 84 | Confident | 88.8 | Confident | 3 Ų | 3 | 28.3 Ų | 28.3 | 2% | 0.016 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67.4 | -27.1 | 179.5 | -74 | 171.4 | 0 | 0 | 0 | 113.8 | I859 R866 I915 L916 L1000 L1001 Q1002 | I859-L1004 HydrophobicContact CG1-CD1 4.23Å; I859-L1004 HydrophobicContact CG2-CD1 3.92Å; R866-L1004 PolarHBondContact NH2-O 3.49Å; R866-L1004 VanDerWaalsContact NH2-O 3.1Å; I915-L1004 HydrophobicContact CG2-CD2 3.96Å; I915-L1004 HydrophobicContact CG2-CG 4.47Å; L916-L1004 HydrophobicContact CD2-CD2 4.05Å; L916-L1004 HydrophobicContact CG-CD2 4.19Å; L1000-L1004 HydrophobicContact CD1-CD1 4.34Å; L1000-L1004 HydrophobicContact CD1-CG 4.37Å; L1000-L1004 HydrophobicContact CG-CD1 4.31Å; L1000-L1004 WeakPolarHBondContact O-CG 3.48Å; L1000-L1004 PolarHBondContact O-N 2.95Å; L1001-L1004 PolarHBondContact O-N 2.69Å; Q1002-L1004 PolarHBondContact O-N 2.91Å |
| 1005 | K | 85 | Confident | 88.9 | Confident | 66 Ų | 66 | 28.1 Ų | 28.1 | 29% | 0.287 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | 3.4 | 170.2 | -76.4 | -164.3 | 167.9 | -161.7 | 0 | 113.7 | D702 I862 L1001 Q1002 R1003 K1007 | D702-K1005 IonicContact OD1-NZ 2.71Å; D702-K1005 IonicContact OD2-NZ 3.43Å; D702-K1005 PolarHBondContact OD2-NZ 3.08Å; I862-K1005 HydrophobicContact CD1-CG 4.33Å; L1001-K1005 PolarHBondContact O-N 2.74Å; Q1002-K1005 CarbonylContact O-C 3.57Å; Q1002-K1005 PolarHBondContact O-N 3.08Å; R1003-K1005 VanDerWaalsContact C-N 3.3Å; R1003-K1005 PolarHBondContact O-N 3.33Å; K1005-K1007 HydrophobicContact CB-CG 4.26Å; K1005-K1007 PolarHBondContact O-N 3.07Å |
| 1006 | N | 85.4 | Confident | 89.2 | Confident | 136 Ų | 136 | 28.1 Ų | 28.1 | 73% | 0.727 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 29.4 | -171.9 | -61.9 | -32.6 | 0 | 0 | 0 | 114.3 | Q1002 R1003 | Q1002-N1006 PolarHBondContact O-N 3.34Å; R1003-N1006 PolarHBondContact O-N 2.83Å; R1003-N1006 PolarHBondContact O-OD1 3.33Å |
| 1007 | K | 83.4 | Confident | 89.5 | Confident | 56 Ų | 56 | 24.7 Ų | 24.7 | 24% | 0.243 | 13% | 0.129 | C | C | . | . | P | Polyproline II helix | trans | -83.1 | 155.6 | 173 | -74.3 | -162.7 | 174.4 | -169.9 | 0 | 111.5 | T698 D699 D700 Q1002 K1005 | T698-K1007 PolarHBondContact O-NZ 3.02Å; D699-K1007 PolarHBondContact O-NZ 2.98Å; D700-K1007 IonicContact OD1-NZ 2.65Å; D700-K1007 PolarHBondContact OD1-NZ 3.23Å; Q1002-K1007 HydrophobicContact CB-CB 4.12Å; Q1002-K1007 HydrophobicContact CG-CB 4.37Å; Q1002-K1007 PolarHBondContact O-N 2.76Å; K1005-K1007 HydrophobicContact CB-CG 4.26Å; K1005-K1007 PolarHBondContact O-N 3.07Å |
| 1008 | P | 84.4 | Confident | 89.8 | Confident | 82 Ų | 82 | 23.8 Ų | 23.8 | 53% | 0.532 | 13% | 0.125 | S | C | . | . | P | Polyproline II helix | trans | -56.8 | 139.2 | 167.5 | -22.6 | 35 | 0 | 0 | 0 | 111.1 | L696 Q1002 | L696-P1008 HydrophobicContact CD2-CB 3.73Å; L696-P1008 HydrophobicContact CD2-CG 3.66Å; Q1002-P1008 PolarHBondContact OE1-O 3.35Å |
| 1009 | I | 85.2 | Confident | 90.1 | Very high | 40 Ų | 40 | 23.1 Ų | 23.1 | 21% | 0.205 | 12% | 0.121 | C | C | . | . | P | Polyproline II helix | trans | -74.4 | 130.4 | 177.2 | -60.1 | 169.5 | 0 | 0 | 0 | 108.4 | Q999 R1003 P1011 | Q999-I1009 HydrophobicContact CB-CG2 4Å; Q999-I1009 HydrophobicContact CG-CG2 3.74Å; R1003-I1009 HydrophobicContact CG-CD1 3.95Å; R1003-I1009 HydrophobicContact CG-CG1 4.06Å; I1009-P1011 WeakPolarHBondContact O-CD 3.22Å |
| 1010 | T | 88.1 | Confident | 90.4 | Very high | 9 Ų | 9 | 23.1 Ų | 23.1 | 6% | 0.055 | 12% | 0.121 | C | C | . | . | P | Polyproline II helix | trans | -81.2 | 117.6 | 170.1 | -44.3 | 0 | 0 | 0 | 0 | 109.9 | I723 L728 Q999 Q1002 | I723-T1010 HydrophobicContact CD1-CG2 4.05Å; I723-T1010 HydrophobicContact CG2-CG2 3.89Å; L728-T1010 HydrophobicContact CD1-CG2 4.23Å; L728-T1010 HydrophobicContact CD2-CG2 4.35Å; L728-T1010 HydrophobicContact CG-CG2 3.78Å; Q999-T1010 PolarHBondContact NE2-O 3.18Å; Q1002-T1010 PolarHBondContact NE2-OG1 3.26Å |
| 1011 | P | 90.1 | Very high | 90.6 | Very high | 14 Ų | 14 | 22.6 Ų | 22.6 | 9% | 0.091 | 12% | 0.12 | C | C | . | . | P | Polyproline II helix | trans | -69.8 | 166.6 | 176.1 | 29.3 | -33.8 | 0 | 0 | 0 | 111.5 | N726 G727 L728 I1009 | N726-P1011 WeakPolarHBondContact O-CG 3.4Å; G727-P1011 CarbonylContact C-O 3.5Å; G727-P1011 VanDerWaalsContact CA-O 3.32Å; G727-P1011 WeakPolarHBondContact CA-O 3.47Å; L728-P1011 PolarHBondContact N-O 3.13Å; I1009-P1011 WeakPolarHBondContact O-CD 3.22Å |
| 1012 | I | 92.5 | Very high | 90.7 | Very high | 4 Ų | 4 | 24.1 Ų | 24.1 | 2% | 0.021 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 123.5 | 170.7 | -52.7 | 174.1 | 0 | 0 | 0 | 107.5 | Q495 V730 L992 I995 V1015 V1080 | Q495-I1012 PolarHBondContact NE2-O 3.4Å; V730-I1012 HydrophobicContact CG2-CG2 4.29Å; L992-I1012 HydrophobicContact CD2-CD1 4.02Å; I995-I1012 HydrophobicContact CB-CD1 4.49Å; I995-I1012 HydrophobicContact CD1-CD1 4.41Å; I995-I1012 HydrophobicContact CG2-CD1 3.73Å; I995-I1012 HydrophobicContact CG2-CG1 3.85Å; I1012-V1015 HydrophobicContact CG2-CG2 3.79Å; I1012-V1080 HydrophobicContact CB-CG1 4.25Å; I1012-V1080 HydrophobicContact CB-CG2 3.88Å; I1012-V1080 HydrophobicContact CG2-CG1 3.69Å; I1012-V1080 HydrophobicContact CG2-CG2 4.24Å |
| 1013 | A | 91.9 | Very high | 90.6 | Very high | 8 Ų | 8 | 27 Ų | 27 | 7% | 0.066 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | -40.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | N726 L728 R729 P1081 | N726-A1013 HydrophobicContact CB-CB 4.07Å; L728-A1013 PolarHBondContact O-N 3.4Å; R729-A1013 HydrophobicContact CG-CB 4.22Å; A1013-P1081 WeakPolarHBondContact O-CD 3.17Å |
| 1014 | A | 93.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 149.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L728 V730 L1127 L1128 | L728-A1014 PolarHBondContact O-N 3.16Å; V730-A1014 PolarHBondContact N-O 3.09Å; A1014-L1127 HydrophobicContact CB-CD2 3.59Å; A1014-L1128 HydrophobicContact CB-CD2 4.04Å |
| 1015 | V | 96.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 118.5 | 168.8 | 178.7 | 0 | 0 | 0 | 0 | 109.5 | V730 T988 L992 I1012 V1080 P1081 F1082 F1083 | V730-V1015 HydrophobicContact CB-CG2 4.23Å; V730-V1015 HydrophobicContact CG2-CG2 4.45Å; T988-V1015 HydrophobicContact CG2-CG1 3.66Å; L992-V1015 HydrophobicContact CD2-CG2 4.17Å; I1012-V1015 HydrophobicContact CG2-CG2 3.79Å; V1015-V1080 HydrophobicContact CB-CG1 4.49Å; V1015-V1080 HydrophobicContact CG2-CG1 3.85Å; V1015-P1081 PolarHBondContact N-O 3.07Å; V1015-F1082 HydrophobicContact CB-CD2 4.11Å; V1015-F1082 HydrophobicContact CG1-CD2 3.9Å; V1015-F1082 HydrophobicContact CG1-CE2 4.15Å; V1015-F1082 WeakPolarHBondContact O-CA 3.33Å; V1015-F1083 PolarHBondContact O-N 2.67Å |
| 1016 | V | 97.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 125.3 | 178.4 | -176.4 | 0 | 0 | 0 | 0 | 109 | V730 L731 S732 F762 L1018 F1083 L1124 | V730-V1016 PolarHBondContact O-N 3.37Å; L731-V1016 CarbonylContact C-O 3.55Å; L731-V1016 WeakPolarHBondContact CA-O 3.11Å; L731-V1016 HydrophobicContact CD1-CB 4.07Å; L731-V1016 HydrophobicContact CD1-CG1 3.95Å; S732-V1016 PolarHBondContact N-O 3.19Å; F762-V1016 HydrophobicContact CE1-CB 4.02Å; F762-V1016 HydrophobicContact CE1-CG2 3.69Å; F762-V1016 HydrophobicContact CZ-CB 4.2Å; F762-V1016 HydrophobicContact CZ-CG2 3.96Å; V1016-L1018 HydrophobicContact CG1-CD2 3.67Å; V1016-L1018 HydrophobicContact CG1-CG 4.12Å; V1016-F1083 WeakPolarHBondContact CA-O 3.39Å; V1016-F1083 HydrophobicContact CG2-CB 4.36Å; V1016-L1124 HydrophobicContact CG1-CD2 4.09Å; V1016-L1124 HydrophobicContact CG2-CD1 3.65Å; V1016-L1124 HydrophobicContact CG2-CD2 4Å; V1016-L1124 HydrophobicContact CG2-CG 4.41Å |
| 1017 | S | 98.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 115.8 | 177.1 | 176.9 | 0 | 0 | 0 | 0 | 109.2 | S732 N986 T988 F1083 R1084 L1085 | S732-S1017 WeakPolarHBondContact O-CA 3.41Å; N986-S1017 PolarHBondContact ND2-OG 3.24Å; T988-S1017 PolarHBondContact OG1-OG 3.25Å; S1017-F1083 PolarHBondContact N-O 3.17Å; S1017-R1084 WeakPolarHBondContact O-CA 3.49Å; S1017-R1084 WeakPolarHBondContact O-CD 3.36Å; S1017-R1084 PolarHBondContact OG-NH1 2.84Å; S1017-L1085 PolarHBondContact O-N 3.08Å |
| 1018 | L | 98.3 | Very high | 88.3 | Confident | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 121 | -178.6 | -55 | -173.1 | 0 | 0 | 0 | 110.4 | L731 S732 L733 D734 I743 L746 L747 V1016 L1085 | L731-L1018 HydrophobicContact CD1-CD1 3.92Å; L731-L1018 HydrophobicContact CD1-CG 3.97Å; S732-L1018 PolarHBondContact O-N 2.92Å; L733-L1018 HydrophobicContact CD2-CB 3.87Å; L733-L1018 HydrophobicContact CD2-CD1 3.78Å; L733-L1018 HydrophobicContact CD2-CG 4.01Å; D734-L1018 PolarHBondContact N-O 3.28Å; D734-L1018 VanDerWaalsContact N-O 3.11Å; I743-L1018 WeakPolarHBondContact CD1-O 3.27Å; I743-L1018 HydrophobicContact CG1-CB 4.18Å; I743-L1018 HydrophobicContact CG2-CB 4.39Å; I743-L1018 HydrophobicContact CG2-CD1 4.37Å; L746-L1018 HydrophobicContact CB-CD1 4.16Å; L746-L1018 HydrophobicContact CB-CD2 4.39Å; L746-L1018 HydrophobicContact CD1-CB 4.22Å; L746-L1018 HydrophobicContact CD1-CD2 4.31Å; L747-L1018 HydrophobicContact CD2-CD1 3.42Å; L747-L1018 VanDerWaalsContact CD2-CD1 3.42Å; L747-L1018 HydrophobicContact CG-CD1 3.62Å; V1016-L1018 HydrophobicContact CG1-CD2 3.67Å; V1016-L1018 HydrophobicContact CG1-CG 4.12Å; L1018-L1085 WeakPolarHBondContact CA-O 3.47Å; L1018-L1085 HydrophobicContact CD2-CB 3.81Å; L1018-L1085 HydrophobicContact CD2-CD1 3.99Å; L1018-L1085 HydrophobicContact CD2-CG 4.29Å |
| 1019 | G | 97 | Very high | 87.5 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -96.1 | 151.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | D734 G1021 L1085 | D734-G1019 VanDerWaalsContact OD2-CA 3.28Å; D734-G1019 WeakPolarHBondContact OD2-CA 3.34Å; G1019-G1021 PolarHBondContact O-N 3.11Å; G1019-L1085 PolarHBondContact N-O 2.98Å | ||
| 1020 | T | 96.2 | Very high | 86.4 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -79.7 | 41.1 | 175.3 | 65.8 | 0 | 0 | 0 | 0 | 112.7 | D734 R739 I743 | D734-T1020 HydrophobicContact CB-CG2 4.5Å; R739-T1020 WeakPolarHBondContact CB-O 3.33Å; I743-T1020 HydrophobicContact CD1-CG2 3.57Å; I743-T1020 HydrophobicContact CG1-CG2 4.05Å |
| 1021 | G | 93 | Very high | 85.1 | Confident | 7 Ų | 7 | 46.7 Ų | 46.7 | 7% | 0.072 | 26% | 0.264 | C | S | . | . | trans | 74.5 | 155.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | G1019 S1086 P1087 | G1019-G1021 PolarHBondContact O-N 3.11Å; G1021-S1086 WeakPolarHBondContact CA-OG 3.34Å; G1021-S1086 PolarHBondContact N-OG 3.22Å; G1021-P1087 CarbonylContact C-O 3.57Å; G1021-P1087 VanDerWaalsContact CA-O 3.29Å; G1021-P1087 WeakPolarHBondContact CA-O 3.18Å | ||
| 1022 | R | 90.8 | Very high | 83.6 | Confident | 38 Ų | 38 | 51.5 Ų | 51.5 | 14% | 0.143 | 29% | 0.289 | C | S | . | . | B | Isolated β-bridge | trans | -104.1 | 119.1 | 178.6 | -59.1 | -176.7 | -68.3 | 119.8 | 7.2 | 108.6 | D472 S1086 P1087 L1089 | D472-R1022 VanDerWaalsContact CG-NH1 3.27Å; D472-R1022 IonicContact OD1-CZ 3.75Å; D472-R1022 IonicContact OD1-NH1 2.78Å; D472-R1022 PolarHBondContact OD1-NH1 2.89Å; D472-R1022 IonicContact OD1-NH2 3.7Å; D472-R1022 IonicContact OD2-CZ 3.76Å; D472-R1022 IonicContact OD2-NH1 3.21Å; D472-R1022 PolarHBondContact OD2-NH1 3.18Å; D472-R1022 VanDerWaalsContact OD2-NH1 3.1Å; D472-R1022 IonicContact OD2-NH2 3.59Å; D472-R1022 PolarHBondContact OD2-NH2 2.97Å; R1022-S1086 WeakPolarHBondContact CG-OG 3.45Å; R1022-S1086 PolarHBondContact NE-O 2.86Å; R1022-P1087 PolarHBondContact N-O 2.74Å; R1022-L1089 PolarHBondContact O-N 3.2Å |
| 1023 | L | 85.3 | Confident | 82 | Confident | 69 Ų | 69 | 53.7 Ų | 53.7 | 36% | 0.361 | 30% | 0.303 | S | S | . | . | trans | -65.3 | 151 | -178.7 | -69.7 | -179.9 | 0 | 0 | 0 | 111.9 | R739 L1089 D1092 | R739-L1023 VanDerWaalsContact NH1-CD2 3.31Å; R739-L1023 VanDerWaalsContact NH1-CG 3.31Å; L1023-L1089 HydrophobicContact CD2-CD1 4.46Å; L1023-D1092 WeakPolarHBondContact CD1-OD1 3.43Å | ||
| 1024 | P | 83.4 | Confident | 80.5 | Confident | 13 Ų | 13 | 60.7 Ų | 60.7 | 8% | 0.084 | 33% | 0.332 | C | S | . | . | trans | -64.4 | 143.8 | 177.1 | 27.8 | -36.5 | 0 | 0 | 0 | 112.5 | H469 M1026 T1091 | H469-P1024 VanDerWaalsContact CE1-CA 3.43Å; H469-P1024 WeakPolarHBondContact CE1-CA 3.21Å; H469-P1024 VanDerWaalsContact CE1-CB 3.45Å; H469-P1024 WeakPolarHBondContact CE1-CB 3.19Å; P1024-M1026 PolarHBondContact O-N 3.4Å; P1024-M1026 VanDerWaalsContact O-N 3.07Å; P1024-T1091 VanDerWaalsContact CD-O 3.27Å; P1024-T1091 WeakPolarHBondContact CD-O 3.47Å | ||
| 1025 | V | 78.8 | Confident | 78.9 | Confident | 123 Ų | 123 | 71.7 Ų | 71.7 | 75% | 0.745 | 37% | 0.374 | S | S | * | . | trans | -77 | 96.3 | 177.1 | -177.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1026 | M | 73.4 | Confident | 76.9 | Confident | 111 Ų | 111 | 73.9 Ų | 73.9 | 55% | 0.547 | 39% | 0.388 | S | S | . | . | trans | -85.4 | 140.1 | 179.3 | -64.1 | -59.4 | -69 | 0 | 0 | 112.1 | P1024 | P1024-M1026 PolarHBondContact O-N 3.4Å; P1024-M1026 VanDerWaalsContact O-N 3.07Å | ||
| 1027 | P | 73.1 | Confident | 75.3 | Confident | 120 Ų | 120 | 82.5 Ų | 82.5 | 78% | 0.779 | 43% | 0.428 | S | S | * | . | trans | -68.2 | 142.8 | 170.7 | 29.6 | -34.3 | 0 | 0 | 0 | 110.8 | ||||
| 1028 | V | 68.2 | Low | 74 | Confident | 91 Ų | 91 | 87.4 Ų | 87.4 | 55% | 0.552 | 45% | 0.454 | S | S | * | . | trans | -122.5 | 129.2 | -177.1 | 166.4 | 0 | 0 | 0 | 0 | 109.3 | T1030 F1051 | V1028-T1030 PolarHBondContact O-N 3.02Å; V1028-F1051 HydrophobicContact CB-CZ 4.42Å; V1028-F1051 HydrophobicContact CG1-CE1 3.54Å; V1028-F1051 HydrophobicContact CG1-CZ 3.38Å; V1028-F1051 HydrophobicContact CG2-CZ 4.13Å | ||
| 1029 | E | 67.1 | Low | 72.5 | Confident | 168 Ų | 168 | 94.7 Ų | 94.7 | 79% | 0.785 | 49% | 0.492 | S | S | * | . | trans | -63.8 | 129.9 | 168.9 | -66.8 | -172.2 | 150.8 | 0 | 0 | 109.8 | V1031 | E1029-V1031 PolarHBondContact O-N 3.26Š| ||
| 1030 | T | 62.1 | Low | 70.7 | Confident | 145 Ų | 145 | 100.9 Ų | 100.9 | 89% | 0.89 | 52% | 0.522 | S | S | * | . | trans | -66.8 | 103.1 | -179.2 | 50.2 | 0 | 0 | 0 | 0 | 110.9 | V1028 D1032 | V1028-T1030 PolarHBondContact O-N 3.02Å; T1030-D1032 PolarHBondContact O-N 3.15Å | ||
| 1031 | V | 60 | Low | 69.1 | Low | 65 Ų | 65 | 104.6 Ų | 104.6 | 39% | 0.394 | 54% | 0.539 | S | S | . | . | trans | -78.4 | 117.2 | 177.7 | 174.6 | 0 | 0 | 0 | 0 | 110.3 | E1029 V1033 F1051 | E1029-V1031 PolarHBondContact O-N 3.26Å; V1031-V1033 HydrophobicContact CG1-CG2 3.76Å; V1031-F1051 HydrophobicContact CB-CD1 4.14Å; V1031-F1051 HydrophobicContact CG2-CB 4.36Å; V1031-F1051 HydrophobicContact CG2-CD1 3.52Å; V1031-F1051 HydrophobicContact CG2-CE1 4.14Å; V1031-F1051 HydrophobicContact CG2-CG 4.12Å | ||
| 1032 | D | 58.3 | Low | 67.6 | Low | 115 Ų | 115 | 107.3 Ų | 107.3 | 62% | 0.615 | 56% | 0.555 | S | S | * | * | trans | -92.9 | 118.9 | 175.2 | -164 | 16.9 | 0 | 0 | 0 | 110.9 | T1030 F1034 | T1030-D1032 PolarHBondContact O-N 3.15Å; D1032-F1034 WeakPolarHBondContact OD1-CD2 3.29Å; D1032-F1034 WeakPolarHBondContact OD1-CE2 3.46Å; D1032-F1034 WeakPolarHBondContact OD2-CD2 3.5Å | ||
| 1033 | V | 60.5 | Low | 66.4 | Low | 51 Ų | 51 | 112.7 Ų | 112.7 | 31% | 0.309 | 58% | 0.576 | S | S | . | * | trans | -108.7 | 54.2 | -169.2 | -165.5 | 0 | 0 | 0 | 0 | 111 | V1031 F1049 | V1031-V1033 HydrophobicContact CG1-CG2 3.76Å; V1033-F1049 HydrophobicContact CG1-CD1 4.05Å; V1033-F1049 HydrophobicContact CG1-CD2 4.36Å; V1033-F1049 HydrophobicContact CG1-CE1 3.73Å; V1033-F1049 HydrophobicContact CG1-CE2 4.05Å; V1033-F1049 HydrophobicContact CG1-CG 4.35Å; V1033-F1049 HydrophobicContact CG1-CZ 3.72Å | ||
| 1034 | F | 60.7 | Low | 65.2 | Low | 154 Ų | 154 | 117.6 Ų | 117.6 | 68% | 0.675 | 59% | 0.59 | S | S | * | * | trans | -78.1 | 157.5 | 171.8 | -87.2 | -82.9 | 0 | 0 | 0 | 113.2 | D1032 P1036 S1045 | D1032-F1034 WeakPolarHBondContact OD1-CD2 3.29Å; D1032-F1034 WeakPolarHBondContact OD1-CE2 3.46Å; D1032-F1034 WeakPolarHBondContact OD2-CD2 3.5Å; F1034-P1036 WeakPolarHBondContact O-CD 3.42Å; F1034-S1045 PolarHBondContact O-OG 2.75Å | ||
| 1035 | R | 59.1 | Low | 64.5 | Low | 232 Ų | 232 | 117.4 Ų | 117.4 | 88% | 0.875 | 59% | 0.589 | S | S | * | * | trans | -70.5 | 114 | 173.8 | -169.7 | -179.7 | -167.9 | 174.8 | 4.4 | 108.6 | ||||
| 1036 | P | 54.1 | Low | 64 | Low | 46 Ų | 46 | 116 Ų | 116 | 30% | 0.299 | 58% | 0.58 | S | S | . | * | trans | -69.9 | 141.9 | -169.2 | 29.5 | -37 | 0 | 0 | 0 | 111.8 | F1034 E1041 T1042 | F1034-P1036 WeakPolarHBondContact O-CD 3.42Å; P1036-E1041 HydrophobicContact CB-CB 3.57Å; P1036-T1042 HydrophobicContact CG-CG2 4.41Å | ||
| 1037 | Q | 64.7 | Low | 63.6 | Low | 180 Ų | 180 | 119.3 Ų | 119.3 | 84% | 0.841 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -95.9 | -29.3 | 168.3 | -57.3 | -169.3 | 20.8 | 0 | 0 | 110.9 | E1041 | Q1037-E1041 PolarHBondContact N-OE2 2.6Š|
| 1038 | N | 70.5 | Confident | 63.4 | Low | 103 Ų | 103 | 113.7 Ų | 113.7 | 55% | 0.551 | 55% | 0.55 | S | S | * | * | S | Bend | trans | -119.4 | 151.7 | -173 | -61.8 | 13 | 0 | 0 | 0 | 112.5 | M1040 E1041 T1042 | N1038-M1040 VanDerWaalsContact C-N 3.26Å; N1038-M1040 PolarHBondContact O-N 3.26Å; N1038-M1040 VanDerWaalsContact O-N 3.17Å; N1038-E1041 HydrophobicContact CB-CG 4.19Å; N1038-E1041 PolarHBondContact N-OE2 2.62Å; N1038-E1041 WeakPolarHBondContact O-CA 3.41Å; N1038-E1041 WeakPolarHBondContact O-CB 3.41Å; N1038-E1041 PolarHBondContact O-N 3.18Å; N1038-T1042 PolarHBondContact O-N 2.84Å; N1038-T1042 PolarHBondContact O-OG1 2.88Å |
| 1039 | I | 65.8 | Low | 63.6 | Low | 156 Ų | 156 | 115.2 Ų | 115.2 | 80% | 0.8 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -55.2 | -38.6 | -179.1 | -61.5 | 174 | 0 | 0 | 0 | 112.7 | E1041 T1042 Y1043 | I1039-E1041 VanDerWaalsContact C-N 3.33Å; I1039-T1042 WeakPolarHBondContact O-CB 3.36Å; I1039-T1042 PolarHBondContact O-N 3.45Å; I1039-Y1043 PolarHBondContact O-N 3.01Å |
| 1040 | M | 58.9 | Low | 63.9 | Low | 130 Ų | 130 | 109.8 Ų | 109.8 | 64% | 0.64 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -70.3 | -29.2 | 177.6 | -169.5 | 61.4 | 179.3 | 0 | 0 | 112.8 | N1038 R1044 | N1038-M1040 VanDerWaalsContact C-N 3.26Å; N1038-M1040 PolarHBondContact O-N 3.26Å; N1038-M1040 VanDerWaalsContact O-N 3.17Å; M1040-R1044 PolarHBondContact O-N 3Å |
| 1041 | E | 63.5 | Low | 64.4 | Low | 79 Ų | 79 | 105.9 Ų | 105.9 | 37% | 0.369 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -71.5 | -39.6 | 169.7 | -61.9 | 177.3 | 149 | 0 | 0 | 110.3 | P1036 Q1037 N1038 I1039 Y1043 R1044 S1045 | P1036-E1041 HydrophobicContact CB-CB 3.57Å; Q1037-E1041 PolarHBondContact N-OE2 2.6Å; N1038-E1041 HydrophobicContact CB-CG 4.19Å; N1038-E1041 PolarHBondContact N-OE2 2.62Å; N1038-E1041 WeakPolarHBondContact O-CA 3.41Å; N1038-E1041 WeakPolarHBondContact O-CB 3.41Å; N1038-E1041 PolarHBondContact O-N 3.18Å; I1039-E1041 VanDerWaalsContact C-N 3.33Å; E1041-Y1043 PolarHBondContact O-N 3.26Å; E1041-R1044 CarbonylContact O-C 3.51Å; E1041-R1044 WeakPolarHBondContact O-CA 3.41Å; E1041-R1044 WeakPolarHBondContact O-CB 3.47Å; E1041-R1044 PolarHBondContact O-N 3.49Å; E1041-S1045 PolarHBondContact O-N 2.92Å; E1041-S1045 PolarHBondContact O-OG 2.61Å |
| 1042 | T | 62.5 | Low | 65.2 | Low | 64 Ų | 64 | 106.3 Ų | 106.3 | 39% | 0.393 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -55.2 | -39.7 | 175.5 | -51.5 | 0 | 0 | 0 | 0 | 111.8 | P1036 N1038 I1039 V1046 | P1036-T1042 HydrophobicContact CG-CG2 4.41Å; N1038-T1042 PolarHBondContact O-N 2.84Å; N1038-T1042 PolarHBondContact O-OG1 2.88Å; I1039-T1042 WeakPolarHBondContact O-CB 3.36Å; I1039-T1042 PolarHBondContact O-N 3.45Å; T1042-V1046 HydrophobicContact CG2-CG2 4.46Å; T1042-V1046 WeakPolarHBondContact O-CB 3.3Å; T1042-V1046 VanDerWaalsContact O-CG2 3.23Å; T1042-V1046 WeakPolarHBondContact O-CG2 3.11Å; T1042-V1046 PolarHBondContact O-N 2.72Å |
| 1043 | Y | 64.2 | Low | 66.2 | Low | 151 Ų | 151 | 102.4 Ų | 102.4 | 59% | 0.592 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.9 | -42.9 | 172.9 | -177.9 | -98.9 | 0 | 0 | 0 | 112.8 | I1039 E1041 V1046 R1047 | I1039-Y1043 PolarHBondContact O-N 3.01Å; E1041-Y1043 PolarHBondContact O-N 3.26Å; Y1043-V1046 PolarHBondContact O-N 2.97Å; Y1043-R1047 WeakPolarHBondContact O-CB 3.22Å; Y1043-R1047 PolarHBondContact O-N 3Å |
| 1044 | R | 61.5 | Low | 67 | Low | 172 Ų | 172 | 106.1 Ų | 106.1 | 65% | 0.649 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63 | -49.1 | 175.1 | -70.7 | 178.8 | 173 | 179 | -3.2 | 111.7 | M1040 E1041 V1046 R1047 G1048 | M1040-R1044 PolarHBondContact O-N 3Å; E1041-R1044 CarbonylContact O-C 3.51Å; E1041-R1044 WeakPolarHBondContact O-CA 3.41Å; E1041-R1044 WeakPolarHBondContact O-CB 3.47Å; E1041-R1044 PolarHBondContact O-N 3.49Å; R1044-V1046 PolarHBondContact O-N 3.39Å; R1044-R1047 PolarHBondContact O-N 2.97Å; R1044-G1048 PolarHBondContact O-N 2.9Å |
| 1045 | S | 67.2 | Low | 68 | Low | 10 Ų | 10 | 101.4 Ų | 101.4 | 7% | 0.07 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -61 | -41 | 177.5 | -54.6 | 0 | 0 | 0 | 0 | 111.5 | F1034 E1041 G1048 F1049 | F1034-S1045 PolarHBondContact O-OG 2.75Å; E1041-S1045 PolarHBondContact O-N 2.92Å; E1041-S1045 PolarHBondContact O-OG 2.61Å; S1045-G1048 CarbonylContact O-C 3.58Å; S1045-G1048 PolarHBondContact O-N 3.13Å; S1045-F1049 WeakPolarHBondContact O-CD2 3.21Å; S1045-F1049 PolarHBondContact O-N 3.29Å |
| 1046 | V | 68.1 | Low | 69.2 | Low | 92 Ų | 92 | 95.5 Ų | 95.5 | 56% | 0.558 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -64.1 | -44.5 | 175.3 | 166.7 | 0 | 0 | 0 | 0 | 111.7 | T1042 Y1043 R1044 G1048 F1049 G1050 | T1042-V1046 HydrophobicContact CG2-CG2 4.46Å; T1042-V1046 WeakPolarHBondContact O-CB 3.3Å; T1042-V1046 VanDerWaalsContact O-CG2 3.23Å; T1042-V1046 WeakPolarHBondContact O-CG2 3.11Å; T1042-V1046 PolarHBondContact O-N 2.72Å; Y1043-V1046 PolarHBondContact O-N 2.97Å; R1044-V1046 PolarHBondContact O-N 3.39Å; V1046-G1048 PolarHBondContact O-N 3.33Å; V1046-F1049 PolarHBondContact O-N 3.36Å; V1046-G1050 PolarHBondContact O-N 2.83Å; V1046-G1050 VanDerWaalsContact O-N 3.07Å |
| 1047 | R | 65.8 | Low | 70.7 | Confident | 181 Ų | 181 | 96.7 Ų | 96.7 | 68% | 0.683 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -60 | -38.2 | 173.1 | -165 | 178.9 | -171.3 | -162 | 1.7 | 111 | Y1043 R1044 G1050 F1051 | Y1043-R1047 WeakPolarHBondContact O-CB 3.22Å; Y1043-R1047 PolarHBondContact O-N 3Å; R1044-R1047 PolarHBondContact O-N 2.97Å; R1047-G1050 PolarHBondContact O-N 3.23Å; R1047-F1051 PolarHBondContact O-N 3.06Å; R1047-F1051 VanDerWaalsContact O-N 3.09Å |
| 1048 | G | 68.6 | Low | 71.6 | Confident | 2 Ų | 2 | 92 Ų | 92 | 2% | 0.021 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -69.7 | -40.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | R1044 S1045 V1046 G1050 F1051 L1052 | R1044-G1048 PolarHBondContact O-N 2.9Å; S1045-G1048 CarbonylContact O-C 3.58Å; S1045-G1048 PolarHBondContact O-N 3.13Å; V1046-G1048 PolarHBondContact O-N 3.33Å; G1048-G1050 VanDerWaalsContact C-N 3.32Å; G1048-G1050 PolarHBondContact O-N 2.89Å; G1048-F1051 PolarHBondContact O-N 2.82Å; G1048-L1052 WeakPolarHBondContact O-CB 3.23Å; G1048-L1052 PolarHBondContact O-N 3.37Å |
| 1049 | F | 72.7 | Confident | 72.3 | Confident | 124 Ų | 124 | 92 Ų | 92 | 54% | 0.544 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.1 | -38.2 | 171.9 | -80.7 | -64 | 0 | 0 | 0 | 111.8 | V1033 S1045 V1046 F1051 G1053 | V1033-F1049 HydrophobicContact CG1-CD1 4.05Å; V1033-F1049 HydrophobicContact CG1-CD2 4.36Å; V1033-F1049 HydrophobicContact CG1-CE1 3.73Å; V1033-F1049 HydrophobicContact CG1-CE2 4.05Å; V1033-F1049 HydrophobicContact CG1-CG 4.35Å; V1033-F1049 HydrophobicContact CG1-CZ 3.72Å; S1045-F1049 WeakPolarHBondContact O-CD2 3.21Å; S1045-F1049 PolarHBondContact O-N 3.29Å; V1046-F1049 PolarHBondContact O-N 3.36Å; F1049-F1051 VanDerWaalsContact C-N 3.35Å; F1049-G1053 PolarHBondContact O-N 3.03Å |
| 1050 | G | 72.8 | Confident | 73.4 | Confident | 53 Ų | 53 | 87 Ų | 87 | 55% | 0.546 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.3 | -41.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V1046 R1047 G1048 R1054 | V1046-G1050 PolarHBondContact O-N 2.83Å; V1046-G1050 VanDerWaalsContact O-N 3.07Å; R1047-G1050 PolarHBondContact O-N 3.23Å; G1048-G1050 VanDerWaalsContact C-N 3.32Å; G1048-G1050 PolarHBondContact O-N 2.89Å; G1050-R1054 PolarHBondContact O-N 2.71Å; G1050-R1054 VanDerWaalsContact O-N 3.1Å |
| 1051 | F | 74.2 | Confident | 74.9 | Confident | 64 Ų | 64 | 82.8 Ų | 82.8 | 28% | 0.281 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -69.4 | -43.9 | 176.6 | -174.6 | -109.5 | 0 | 0 | 0 | 113 | V1028 V1031 R1047 G1048 F1049 G1053 R1054 I1055 | V1028-F1051 HydrophobicContact CB-CZ 4.42Å; V1028-F1051 HydrophobicContact CG1-CE1 3.54Å; V1028-F1051 HydrophobicContact CG1-CZ 3.38Å; V1028-F1051 HydrophobicContact CG2-CZ 4.13Å; V1031-F1051 HydrophobicContact CB-CD1 4.14Å; V1031-F1051 HydrophobicContact CG2-CB 4.36Å; V1031-F1051 HydrophobicContact CG2-CD1 3.52Å; V1031-F1051 HydrophobicContact CG2-CE1 4.14Å; V1031-F1051 HydrophobicContact CG2-CG 4.12Å; R1047-F1051 PolarHBondContact O-N 3.06Å; R1047-F1051 VanDerWaalsContact O-N 3.09Å; G1048-F1051 PolarHBondContact O-N 2.82Å; F1049-F1051 VanDerWaalsContact C-N 3.35Å; F1051-G1053 VanDerWaalsContact C-N 3.28Å; F1051-G1053 PolarHBondContact O-N 2.88Å; F1051-R1054 WeakPolarHBondContact O-CB 3.45Å; F1051-R1054 PolarHBondContact O-N 3.06Å; F1051-R1054 VanDerWaalsContact O-N 3.1Å; F1051-I1055 HydrophobicContact CD1-CD1 3.96Å; F1051-I1055 HydrophobicContact CE1-CD1 3.37Å; F1051-I1055 HydrophobicContact CE1-CG1 4.15Å; F1051-I1055 HydrophobicContact CZ-CD1 3.8Å; F1051-I1055 HydrophobicContact CZ-CG1 4.18Å; F1051-I1055 PolarHBondContact O-N 2.98Å |
| 1052 | L | 75.3 | Confident | 76.2 | Confident | 74 Ų | 74 | 83.6 Ų | 83.6 | 39% | 0.387 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.1 | -37.2 | 174.9 | -172.7 | 66.9 | 0 | 0 | 0 | 111.5 | G1048 I1055 L1056 | G1048-L1052 WeakPolarHBondContact O-CB 3.23Å; G1048-L1052 PolarHBondContact O-N 3.37Å; L1052-I1055 PolarHBondContact O-N 3.37Å; L1052-L1056 WeakPolarHBondContact O-CG 3.37Å; L1052-L1056 PolarHBondContact O-N 3.22Å |
| 1053 | G | 78.7 | Confident | 77.6 | Confident | 33 Ų | 33 | 81.3 Ų | 81.3 | 34% | 0.34 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.3 | -39.4 | 172 | 0 | 0 | 0 | 0 | 0 | 113 | F1049 F1051 L1056 V1057 | F1049-G1053 PolarHBondContact O-N 3.03Å; F1051-G1053 VanDerWaalsContact C-N 3.28Å; F1051-G1053 PolarHBondContact O-N 2.88Å; G1053-L1056 PolarHBondContact O-N 3.17Å; G1053-V1057 WeakPolarHBondContact O-CG2 3.45Å; G1053-V1057 PolarHBondContact O-N 3.47Å; G1053-V1057 VanDerWaalsContact O-N 3.15Å |
| 1054 | R | 78.6 | Confident | 78.9 | Confident | 128 Ų | 128 | 75.5 Ų | 75.5 | 48% | 0.483 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.8 | -48.5 | 171.7 | 179.5 | 177.2 | 169.9 | 166.4 | 1.6 | 110.9 | G1050 F1051 L1056 V1057 E1058 D1092 | G1050-R1054 PolarHBondContact O-N 2.71Å; G1050-R1054 VanDerWaalsContact O-N 3.1Å; F1051-R1054 WeakPolarHBondContact O-CB 3.45Å; F1051-R1054 PolarHBondContact O-N 3.06Å; F1051-R1054 VanDerWaalsContact O-N 3.1Å; R1054-L1056 VanDerWaalsContact C-N 3.32Å; R1054-L1056 PolarHBondContact O-N 3.44Å; R1054-V1057 PolarHBondContact O-N 2.96Å; R1054-E1058 HydrophobicContact CG-CG 4.38Å; R1054-E1058 IonicContact CZ-OE1 2.71Å; R1054-E1058 IonicContact NE-OE1 3.94Å; R1054-E1058 PolarHBondContact NE-OE1 3.38Å; R1054-E1058 IonicContact NE-OE2 3.24Å; R1054-E1058 IonicContact NH2-OE1 2.72Å; R1054-E1058 PolarHBondContact NH2-OE1 3.45Å; R1054-E1058 WeakPolarHBondContact O-CG 3.36Å; R1054-E1058 PolarHBondContact O-N 2.99Å; R1054-D1092 IonicContact NH2-OD2 3.98Å |
| 1055 | I | 81.5 | Confident | 80.1 | Confident | 56 Ų | 56 | 68.6 Ų | 68.6 | 29% | 0.287 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -56.9 | -43 | 176.1 | -74.6 | 175.8 | 0 | 0 | 0 | 111.7 | F1051 L1052 V1057 E1058 I1059 | F1051-I1055 HydrophobicContact CD1-CD1 3.96Å; F1051-I1055 HydrophobicContact CE1-CD1 3.37Å; F1051-I1055 HydrophobicContact CE1-CG1 4.15Å; F1051-I1055 HydrophobicContact CZ-CD1 3.8Å; F1051-I1055 HydrophobicContact CZ-CG1 4.18Å; F1051-I1055 PolarHBondContact O-N 2.98Å; L1052-I1055 PolarHBondContact O-N 3.37Å; I1055-V1057 VanDerWaalsContact C-N 3.35Å; I1055-V1057 PolarHBondContact O-N 3.44Å; I1055-E1058 PolarHBondContact O-N 2.87Å; I1055-I1059 HydrophobicContact CG2-CD1 3.61Å; I1055-I1059 HydrophobicContact CG2-CG1 4.25Å; I1055-I1059 WeakPolarHBondContact O-CB 3.24Å; I1055-I1059 VanDerWaalsContact O-CG1 3.3Å; I1055-I1059 WeakPolarHBondContact O-CG1 3.5Å; I1055-I1059 PolarHBondContact O-N 2.76Å |
| 1056 | L | 84.9 | Confident | 81.2 | Confident | 108 Ų | 108 | 76.6 Ų | 76.6 | 57% | 0.565 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -64.2 | -38 | 179 | -73.4 | 170 | 0 | 0 | 0 | 112.5 | L1052 G1053 R1054 A1060 | L1052-L1056 WeakPolarHBondContact O-CG 3.37Å; L1052-L1056 PolarHBondContact O-N 3.22Å; G1053-L1056 PolarHBondContact O-N 3.17Å; R1054-L1056 VanDerWaalsContact C-N 3.32Å; R1054-L1056 PolarHBondContact O-N 3.44Å; L1056-A1060 VanDerWaalsContact O-CB 3.28Å; L1056-A1060 WeakPolarHBondContact O-CB 3.41Å; L1056-A1060 PolarHBondContact O-N 2.95Å |
| 1057 | V | 84.6 | Confident | 82.3 | Confident | 71 Ų | 71 | 73.5 Ų | 73.5 | 43% | 0.43 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -68.8 | -41.8 | 173.3 | 173.7 | 0 | 0 | 0 | 0 | 111.2 | G1053 R1054 I1055 A1060 T1061 | G1053-V1057 WeakPolarHBondContact O-CG2 3.45Å; G1053-V1057 PolarHBondContact O-N 3.47Å; G1053-V1057 VanDerWaalsContact O-N 3.15Å; R1054-V1057 PolarHBondContact O-N 2.96Å; I1055-V1057 VanDerWaalsContact C-N 3.35Å; I1055-V1057 PolarHBondContact O-N 3.44Å; V1057-A1060 PolarHBondContact O-N 3.46Å; V1057-T1061 HydrophobicContact CG1-CG2 4.42Å; V1057-T1061 WeakPolarHBondContact O-CB 3.33Å; V1057-T1061 WeakPolarHBondContact O-CG2 3.31Å; V1057-T1061 PolarHBondContact O-N 3.38Å; V1057-T1061 PolarHBondContact O-OG1 2.87Å |
| 1058 | E | 83 | Confident | 83.7 | Confident | 81 Ų | 81 | 65.1 Ų | 65.1 | 38% | 0.379 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 177 | -73.9 | 171.2 | 162.8 | 0 | 0 | 111.5 | R1054 I1055 T1061 M1062 | R1054-E1058 HydrophobicContact CG-CG 4.38Å; R1054-E1058 IonicContact CZ-OE1 2.71Å; R1054-E1058 IonicContact NE-OE1 3.94Å; R1054-E1058 PolarHBondContact NE-OE1 3.38Å; R1054-E1058 IonicContact NE-OE2 3.24Å; R1054-E1058 IonicContact NH2-OE1 2.72Å; R1054-E1058 PolarHBondContact NH2-OE1 3.45Å; R1054-E1058 WeakPolarHBondContact O-CG 3.36Å; R1054-E1058 PolarHBondContact O-N 2.99Å; I1055-E1058 PolarHBondContact O-N 2.87Å; E1058-T1061 CarbonylContact O-C 3.55Å; E1058-T1061 PolarHBondContact O-N 3.07Å; E1058-T1061 PolarHBondContact O-OG1 3.22Å; E1058-M1062 VanDerWaalsContact O-CG 3.29Å; E1058-M1062 WeakPolarHBondContact O-CG 3.28Å; E1058-M1062 PolarHBondContact O-N 2.82Å |
| 1059 | I | 86.7 | Confident | 84.8 | Confident | 104 Ų | 104 | 67.7 Ų | 67.7 | 53% | 0.533 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.6 | -46.8 | 173.8 | -70 | 171.3 | 0 | 0 | 0 | 111.4 | I1055 T1061 M1062 | I1055-I1059 HydrophobicContact CG2-CD1 3.61Å; I1055-I1059 HydrophobicContact CG2-CG1 4.25Å; I1055-I1059 WeakPolarHBondContact O-CB 3.24Å; I1055-I1059 VanDerWaalsContact O-CG1 3.3Å; I1055-I1059 WeakPolarHBondContact O-CG1 3.5Å; I1055-I1059 PolarHBondContact O-N 2.76Å; I1059-T1061 PolarHBondContact O-N 3.38Å; I1059-M1062 PolarHBondContact O-N 3.15Å |
| 1060 | A | 88.5 | Confident | 85.9 | Confident | 49 Ų | 49 | 69.1 Ų | 69.1 | 41% | 0.405 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.1 | -25.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1056 V1057 | L1056-A1060 VanDerWaalsContact O-CB 3.28Å; L1056-A1060 WeakPolarHBondContact O-CB 3.41Å; L1056-A1060 PolarHBondContact O-N 2.95Å; V1057-A1060 PolarHBondContact O-N 3.46Å |
| 1061 | T | 90.6 | Very high | 86.9 | Confident | 43 Ų | 43 | 66.6 Ų | 66.6 | 26% | 0.264 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 13.1 | -179.9 | 59.7 | 0 | 0 | 0 | 0 | 113.8 | G981 L982 N985 V1057 E1058 I1059 S1063 | G981-T1061 WeakPolarHBondContact O-CA 3.3Å; G981-T1061 WeakPolarHBondContact O-CG2 3.35Å; L982-T1061 HydrophobicContact CD2-CG2 4.22Å; N985-T1061 PolarHBondContact ND2-O 3.29Å; V1057-T1061 HydrophobicContact CG1-CG2 4.42Å; V1057-T1061 WeakPolarHBondContact O-CB 3.33Å; V1057-T1061 WeakPolarHBondContact O-CG2 3.31Å; V1057-T1061 PolarHBondContact O-N 3.38Å; V1057-T1061 PolarHBondContact O-OG1 2.87Å; E1058-T1061 CarbonylContact O-C 3.55Å; E1058-T1061 PolarHBondContact O-N 3.07Å; E1058-T1061 PolarHBondContact O-OG1 3.22Å; I1059-T1061 PolarHBondContact O-N 3.38Å; T1061-S1063 PolarHBondContact O-N 3.01Å; T1061-S1063 VanDerWaalsContact O-N 3.1Å |
| 1062 | M | 89.7 | Confident | 87.8 | Confident | 96 Ų | 96 | 66.2 Ų | 66.2 | 47% | 0.473 | 34% | 0.344 | S | S | . | . | trans | -60.9 | 114.2 | 177.2 | -76.9 | -177.1 | 75.7 | 0 | 0 | 111.7 | E1058 I1059 D1064 | E1058-M1062 VanDerWaalsContact O-CG 3.29Å; E1058-M1062 WeakPolarHBondContact O-CG 3.28Å; E1058-M1062 PolarHBondContact O-N 2.82Å; I1059-M1062 PolarHBondContact O-N 3.15Å; M1062-D1064 WeakPolarHBondContact CE-O 3.47Å | ||
| 1063 | S | 92.4 | Very high | 88.6 | Confident | 15 Ų | 15 | 65.8 Ų | 65.8 | 11% | 0.105 | 35% | 0.351 | C | S | . | . | trans | -96.6 | -9.3 | 171.9 | 55 | 0 | 0 | 0 | 0 | 113.9 | D734 N986 T1061 V1067 R1084 | D734-S1063 WeakPolarHBondContact OD2-CB 3.41Å; N986-S1063 WeakPolarHBondContact CB-O 3.44Å; N986-S1063 PolarHBondContact ND2-O 2.79Å; T1061-S1063 PolarHBondContact O-N 3.01Å; T1061-S1063 VanDerWaalsContact O-N 3.1Å; S1063-V1067 WeakPolarHBondContact O-CG1 3.42Å; S1063-R1084 PolarHBondContact O-NH2 3.34Å; S1063-R1084 VanDerWaalsContact O-NH2 3.14Å | ||
| 1064 | D | 91 | Very high | 89.1 | Confident | 30 Ų | 30 | 71.6 Ų | 71.6 | 16% | 0.16 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -126.7 | 179.5 | 178.5 | -142.4 | -69.1 | 0 | 0 | 0 | 112.1 | M1062 R1084 | M1062-D1064 WeakPolarHBondContact CE-O 3.47Å; D1064-R1084 IonicContact OD2-CZ 2.84Å; D1064-R1084 VanDerWaalsContact OD2-CZ 3.31Å; D1064-R1084 IonicContact OD2-NE 2.7Å; D1064-R1084 PolarHBondContact OD2-NE 3.08Å; D1064-R1084 IonicContact OD2-NH2 3.87Å; D1064-R1084 PolarHBondContact OD2-NH2 2.94Å |
| 1065 | G | 88.4 | Confident | 89.8 | Confident | 26 Ų | 26 | 65.5 Ų | 65.5 | 27% | 0.268 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.4 | -127.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V1067 V1068 D1069 | G1065-V1067 PolarHBondContact O-N 3.4Å; G1065-V1068 WeakPolarHBondContact O-CA 3.46Å; G1065-V1068 WeakPolarHBondContact O-CB 3.44Å; G1065-V1068 PolarHBondContact O-N 3.49Å; G1065-D1069 PolarHBondContact O-N 2.96Å |
| 1066 | R | 90.1 | Very high | 90 | Very high | 178 Ų | 178 | 65.5 Ų | 65.5 | 67% | 0.672 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -60.5 | -21.6 | -168 | -70.6 | -49 | -161.4 | -173.2 | 2.3 | 115.5 | D1069 R1070 | R1066-D1069 WeakPolarHBondContact CD-OD2 3.47Å; R1066-D1069 IonicContact CZ-OD2 3.01Å; R1066-D1069 IonicContact NE-OD2 3.79Å; R1066-D1069 IonicContact NH1-OD2 3.02Å; R1066-D1069 PolarHBondContact NH1-OD2 3.11Å; R1066-R1070 VanDerWaalsContact O-CD 3.28Å; R1066-R1070 WeakPolarHBondContact O-CD 3.4Å; R1066-R1070 WeakPolarHBondContact O-CG 3.28Å; R1066-R1070 PolarHBondContact O-N 3.02Å |
| 1067 | V | 91.4 | Very high | 90.3 | Very high | 28 Ų | 28 | 63.9 Ų | 63.9 | 17% | 0.17 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -70.6 | -40.3 | 172.1 | 64.1 | 0 | 0 | 0 | 0 | 111.5 | N986 L989 S1063 G1065 A1071 | N986-V1067 HydrophobicContact CB-CG1 3.96Å; N986-V1067 HydrophobicContact CB-CG2 4.07Å; L989-V1067 HydrophobicContact CD1-CG2 4.05Å; S1063-V1067 WeakPolarHBondContact O-CG1 3.42Å; G1065-V1067 PolarHBondContact O-N 3.4Å; V1067-A1071 PolarHBondContact O-N 3.48Å |
| 1068 | V | 94.2 | Very high | 90.4 | Very high | 4 Ų | 4 | 61.8 Ų | 61.8 | 2% | 0.024 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -69.3 | -44.9 | 175.6 | 179.2 | 0 | 0 | 0 | 0 | 110.6 | G1065 R1070 A1071 S1072 F1082 R1084 | G1065-V1068 WeakPolarHBondContact O-CA 3.46Å; G1065-V1068 WeakPolarHBondContact O-CB 3.44Å; G1065-V1068 PolarHBondContact O-N 3.49Å; V1068-R1070 VanDerWaalsContact C-N 3.27Å; V1068-R1070 PolarHBondContact O-N 2.87Å; V1068-A1071 PolarHBondContact O-N 3.09Å; V1068-S1072 WeakPolarHBondContact O-CB 3.26Å; V1068-S1072 PolarHBondContact O-N 3.47Å; V1068-F1082 HydrophobicContact CG1-CE1 3.93Å; V1068-F1082 HydrophobicContact CG1-CZ 4.17Å; V1068-R1084 HydrophobicContact CG1-CB 4.01Å; V1068-R1084 HydrophobicContact CG1-CG 3.85Å; V1068-R1084 HydrophobicContact CG2-CG 4.45Å |
| 1069 | D | 91.7 | Very high | 90.6 | Very high | 56 Ų | 56 | 60.1 Ų | 60.1 | 30% | 0.299 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -54.2 | -45.4 | 176.1 | -67.1 | -5.2 | 0 | 0 | 0 | 111.5 | G1065 R1066 A1073 | G1065-D1069 PolarHBondContact O-N 2.96Å; R1066-D1069 WeakPolarHBondContact CD-OD2 3.47Å; R1066-D1069 IonicContact CZ-OD2 3.01Å; R1066-D1069 IonicContact NE-OD2 3.79Å; R1066-D1069 IonicContact NH1-OD2 3.02Å; R1066-D1069 PolarHBondContact NH1-OD2 3.11Å; D1069-A1073 VanDerWaalsContact O-CB 3.31Å; D1069-A1073 WeakPolarHBondContact O-CB 3.22Å; D1069-A1073 PolarHBondContact O-N 2.77Å |
| 1070 | R | 95.1 | Very high | 90.7 | Very high | 154 Ų | 154 | 55.5 Ų | 55.5 | 58% | 0.581 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -64.2 | -48.6 | 177.6 | -72.6 | 166.2 | -174.5 | 174.3 | 2.2 | 111 | L989 R1066 V1068 S1072 A1073 W1074 | L989-R1070 HydrophobicContact CD1-CB 4.03Å; L989-R1070 HydrophobicContact CD2-CB 4.22Å; R1066-R1070 VanDerWaalsContact O-CD 3.28Å; R1066-R1070 WeakPolarHBondContact O-CD 3.4Å; R1066-R1070 WeakPolarHBondContact O-CG 3.28Å; R1066-R1070 PolarHBondContact O-N 3.02Å; V1068-R1070 VanDerWaalsContact C-N 3.27Å; V1068-R1070 PolarHBondContact O-N 2.87Å; R1070-S1072 VanDerWaalsContact C-N 3.34Å; R1070-S1072 PolarHBondContact O-N 2.93Å; R1070-A1073 PolarHBondContact O-N 2.9Å; R1070-W1074 VanDerWaalsContact O-CD1 3.29Å; R1070-W1074 PolarHBondContact O-N 2.84Å |
| 1071 | A | 93.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.7 | -43.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | T988 L989 V1067 V1068 W1074 C1075 F1082 | T988-A1071 HydrophobicContact CG2-CB 3.78Å; L989-A1071 HydrophobicContact CD2-CB 4Å; L989-A1071 HydrophobicContact CG-CB 4.42Å; V1067-A1071 PolarHBondContact O-N 3.48Å; V1068-A1071 PolarHBondContact O-N 3.09Å; A1071-W1074 PolarHBondContact O-N 2.71Å; A1071-C1075 WeakPolarHBondContact O-CB 3.32Å; A1071-C1075 PolarHBondContact O-N 2.9Å; A1071-C1075 PolarHBondContact O-SG 3.5Å; A1071-F1082 HydrophobicContact CB-CE2 4.25Å; A1071-F1082 HydrophobicContact CB-CZ 4.16Å |
| 1072 | S | 92.8 | Very high | 91 | Very high | 57 Ų | 57 | 54.3 Ų | 54.3 | 40% | 0.399 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.8 | -41.9 | 176.2 | -165.8 | 0 | 0 | 0 | 0 | 112.3 | V1068 R1070 C1075 G1076 | V1068-S1072 WeakPolarHBondContact O-CB 3.26Å; V1068-S1072 PolarHBondContact O-N 3.47Å; R1070-S1072 VanDerWaalsContact C-N 3.34Å; R1070-S1072 PolarHBondContact O-N 2.93Å; S1072-C1075 PolarHBondContact O-N 3.28Å; S1072-G1076 PolarHBondContact O-N 2.92Å |
| 1073 | A | 92.4 | Very high | 91.3 | Very high | 64 Ų | 64 | 50 Ų | 50 | 53% | 0.529 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -67.1 | -39.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | D1069 R1070 S1077 | D1069-A1073 VanDerWaalsContact O-CB 3.31Å; D1069-A1073 WeakPolarHBondContact O-CB 3.22Å; D1069-A1073 PolarHBondContact O-N 2.77Å; R1070-A1073 PolarHBondContact O-N 2.9Å; A1073-S1077 WeakPolarHBondContact O-CB 3.4Å; A1073-S1077 PolarHBondContact O-N 2.94Å; A1073-S1077 PolarHBondContact O-OG 3.27Å |
| 1074 | W | 90.8 | Very high | 91.5 | Very high | 156 Ų | 156 | 49.6 Ų | 49.6 | 59% | 0.591 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -66.9 | -42.7 | 173.5 | -88 | 99.1 | 0 | 0 | 0 | 112.4 | R1070 A1071 S1077 L1078 | R1070-W1074 VanDerWaalsContact O-CD1 3.29Å; R1070-W1074 PolarHBondContact O-N 2.84Å; A1071-W1074 PolarHBondContact O-N 2.71Å; W1074-S1077 PolarHBondContact O-N 3.42Å; W1074-S1077 PolarHBondContact O-OG 2.98Å; W1074-L1078 VanDerWaalsContact O-CG 3.31Å; W1074-L1078 WeakPolarHBondContact O-CG 3.46Å; W1074-L1078 PolarHBondContact O-N 3.27Å |
| 1075 | C | 91.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.3 | -43.8 | 175.4 | -66 | 0 | 0 | 0 | 0 | 111.1 | A1071 S1072 S1077 L1078 G1079 V1080 F1082 | A1071-C1075 WeakPolarHBondContact O-CB 3.32Å; A1071-C1075 PolarHBondContact O-N 2.9Å; A1071-C1075 PolarHBondContact O-SG 3.5Å; S1072-C1075 PolarHBondContact O-N 3.28Å; C1075-S1077 PolarHBondContact O-N 2.83Å; C1075-L1078 CarbonylContact O-C 3.59Å; C1075-L1078 PolarHBondContact O-N 2.9Å; C1075-L1078 VanDerWaalsContact O-N 3.08Å; C1075-G1079 PolarHBondContact O-N 2.86Å; C1075-G1079 VanDerWaalsContact O-N 3.11Å; C1075-V1080 CarbonylContact C-O 3.52Å; C1075-V1080 HydrophobicContact CB-CB 4.03Å; C1075-V1080 HydrophobicContact CB-CG1 4.28Å; C1075-V1080 WeakPolarHBondContact CB-O 3.41Å; C1075-V1080 PolarHBondContact O-N 2.55Å; C1075-F1082 HydrophobicContact CB-CB 3.67Å; C1075-F1082 HydrophobicContact CB-CG 4.36Å |
| 1076 | G | 86.8 | Confident | 92 | Very high | 55 Ų | 55 | 47.3 Ų | 47.3 | 57% | 0.567 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -59.8 | -40.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | S1072 L1078 G1079 | S1072-G1076 PolarHBondContact O-N 2.92Å; G1076-L1078 PolarHBondContact O-N 3Å; G1076-G1079 PolarHBondContact O-N 2.77Å; G1076-G1079 VanDerWaalsContact O-N 3.14Å |
| 1077 | S | 89.5 | Confident | 92.1 | Very high | 75 Ų | 75 | 38.9 Ų | 38.9 | 52% | 0.524 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -70 | -13.6 | 176.3 | 73 | 0 | 0 | 0 | 0 | 114.2 | A1073 W1074 C1075 | A1073-S1077 WeakPolarHBondContact O-CB 3.4Å; A1073-S1077 PolarHBondContact O-N 2.94Å; A1073-S1077 PolarHBondContact O-OG 3.27Å; W1074-S1077 PolarHBondContact O-N 3.42Å; W1074-S1077 PolarHBondContact O-OG 2.98Å; C1075-S1077 PolarHBondContact O-N 2.83Å |
| 1078 | L | 87.1 | Confident | 92.1 | Very high | 26 Ų | 26 | 39.2 Ų | 39.2 | 14% | 0.136 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 1.7 | 173.5 | -63.9 | 176.9 | 0 | 0 | 0 | 113.1 | Q495 M499 W1074 C1075 G1076 V1080 | Q495-L1078 WeakPolarHBondContact CG-O 2.98Å; Q495-L1078 PolarHBondContact NE2-O 2.96Å; M499-L1078 HydrophobicContact CE-CD1 4.3Å; M499-L1078 HydrophobicContact CE-CD2 3.66Å; M499-L1078 HydrophobicContact CG-CD2 4.37Å; W1074-L1078 VanDerWaalsContact O-CG 3.31Å; W1074-L1078 WeakPolarHBondContact O-CG 3.46Å; W1074-L1078 PolarHBondContact O-N 3.27Å; C1075-L1078 CarbonylContact O-C 3.59Å; C1075-L1078 PolarHBondContact O-N 2.9Å; C1075-L1078 VanDerWaalsContact O-N 3.08Å; G1076-L1078 PolarHBondContact O-N 3Å; L1078-V1080 HydrophobicContact CB-CG2 3.75Å; L1078-V1080 PolarHBondContact O-N 2.87Å |
| 1079 | G | 86.7 | Confident | 91.8 | Very high | 46 Ų | 46 | 39.1 Ų | 39.1 | 47% | 0.474 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | 33.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | C1075 G1076 | C1075-G1079 PolarHBondContact O-N 2.86Å; C1075-G1079 VanDerWaalsContact O-N 3.11Å; G1076-G1079 PolarHBondContact O-N 2.77Å; G1076-G1079 VanDerWaalsContact O-N 3.14Å |
| 1080 | V | 89.5 | Confident | 91.6 | Very high | 8 Ų | 8 | 37.8 Ų | 37.8 | 5% | 0.048 | 23% | 0.227 | C | C | . | . | trans | -100.8 | 124.5 | -179.9 | 175.4 | 0 | 0 | 0 | 0 | 109.6 | I1012 V1015 C1075 L1078 F1082 | I1012-V1080 HydrophobicContact CB-CG1 4.25Å; I1012-V1080 HydrophobicContact CB-CG2 3.88Å; I1012-V1080 HydrophobicContact CG2-CG1 3.69Å; I1012-V1080 HydrophobicContact CG2-CG2 4.24Å; V1015-V1080 HydrophobicContact CB-CG1 4.49Å; V1015-V1080 HydrophobicContact CG2-CG1 3.85Å; C1075-V1080 CarbonylContact C-O 3.52Å; C1075-V1080 HydrophobicContact CB-CB 4.03Å; C1075-V1080 HydrophobicContact CB-CG1 4.28Å; C1075-V1080 WeakPolarHBondContact CB-O 3.41Å; C1075-V1080 PolarHBondContact O-N 2.55Å; L1078-V1080 HydrophobicContact CB-CG2 3.75Å; L1078-V1080 PolarHBondContact O-N 2.87Å; V1080-F1082 PolarHBondContact O-N 3.46Å | ||
| 1081 | P | 91.7 | Very high | 91.1 | Very high | 40 Ų | 40 | 32.9 Ų | 32.9 | 26% | 0.26 | 21% | 0.214 | S | C | . | . | trans | -57.4 | 121.9 | 169.1 | -24.6 | 34 | 0 | 0 | 0 | 111.8 | A1013 V1015 F1083 L1127 | A1013-P1081 WeakPolarHBondContact O-CD 3.17Å; V1015-P1081 PolarHBondContact N-O 3.07Å; P1081-F1083 HydrophobicContact CB-CE2 3.92Å; P1081-L1127 HydrophobicContact CB-CD1 4.16Å; P1081-L1127 HydrophobicContact CB-CD2 4.41Å; P1081-L1127 HydrophobicContact CG-CD1 4.18Å | ||
| 1082 | F | 94.3 | Very high | 90.8 | Very high | 26 Ų | 26 | 36.2 Ų | 36.2 | 11% | 0.114 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 125.1 | 178.2 | 176.9 | -109.8 | 0 | 0 | 0 | 111.2 | T988 V1015 V1068 A1071 C1075 V1080 R1084 | T988-F1082 HydrophobicContact CG2-CE2 4Å; V1015-F1082 HydrophobicContact CB-CD2 4.11Å; V1015-F1082 HydrophobicContact CG1-CD2 3.9Å; V1015-F1082 HydrophobicContact CG1-CE2 4.15Å; V1015-F1082 WeakPolarHBondContact O-CA 3.33Å; V1068-F1082 HydrophobicContact CG1-CE1 3.93Å; V1068-F1082 HydrophobicContact CG1-CZ 4.17Å; A1071-F1082 HydrophobicContact CB-CE2 4.25Å; A1071-F1082 HydrophobicContact CB-CZ 4.16Å; C1075-F1082 HydrophobicContact CB-CB 3.67Å; C1075-F1082 HydrophobicContact CB-CG 4.36Å; V1080-F1082 PolarHBondContact O-N 3.46Å; F1082-R1084 HydrophobicContact CE1-CB 3.99Å; F1082-R1084 HydrophobicContact CZ-CB 4.19Å |
| 1083 | F | 95.5 | Very high | 90.6 | Very high | 5 Ų | 5 | 33.5 Ų | 33.5 | 2% | 0.022 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 102.6 | 179.8 | -70.4 | -102.1 | 0 | 0 | 0 | 110 | V1015 V1016 S1017 P1081 R1120 L1124 L1127 | V1015-F1083 PolarHBondContact O-N 2.67Å; V1016-F1083 WeakPolarHBondContact CA-O 3.39Å; V1016-F1083 HydrophobicContact CG2-CB 4.36Å; S1017-F1083 PolarHBondContact N-O 3.17Å; P1081-F1083 HydrophobicContact CB-CE2 3.92Å; F1083-R1120 HydrophobicContact CD1-CG 4.47Å; F1083-L1124 HydrophobicContact CB-CD1 4.43Å; F1083-L1124 HydrophobicContact CB-CD2 4.31Å; F1083-L1124 HydrophobicContact CD1-CB 4.04Å; F1083-L1124 HydrophobicContact CD1-CD1 4.11Å; F1083-L1124 HydrophobicContact CD1-CD2 4.28Å; F1083-L1124 HydrophobicContact CD1-CG 4.37Å; F1083-L1124 HydrophobicContact CD2-CD1 3.74Å; F1083-L1124 HydrophobicContact CE1-CB 3.88Å; F1083-L1124 HydrophobicContact CE1-CD1 4.27Å; F1083-L1124 HydrophobicContact CE2-CD1 3.91Å; F1083-L1124 HydrophobicContact CG-CD1 3.85Å; F1083-L1124 HydrophobicContact CG-CD2 4.32Å; F1083-L1124 HydrophobicContact CG-CG 4.49Å; F1083-L1124 HydrophobicContact CZ-CB 4.33Å; F1083-L1124 HydrophobicContact CZ-CD1 4.17Å; F1083-L1127 HydrophobicContact CE2-CD1 4.24Å; F1083-L1127 HydrophobicContact CE2-CD2 4.37Å; F1083-L1127 HydrophobicContact CZ-CD1 4.34Å |
| 1084 | R | 96 | Very high | 90.5 | Very high | 8 Ų | 8 | 36 Ų | 36 | 3% | 0.03 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 132.3 | 160.5 | -176.9 | 64.4 | 172.8 | 170.4 | -0 | 109 | D734 N986 S1017 S1063 D1064 V1068 F1082 R1120 | D734-R1084 VanDerWaalsContact CG-NH1 3.34Å; D734-R1084 IonicContact OD1-NH1 2.7Å; D734-R1084 PolarHBondContact OD1-NH1 2.9Å; D734-R1084 IonicContact OD2-CZ 3.22Å; D734-R1084 IonicContact OD2-NH1 3.97Å; D734-R1084 PolarHBondContact OD2-NH1 2.85Å; D734-R1084 IonicContact OD2-NH2 2.76Å; D734-R1084 PolarHBondContact OD2-NH2 2.88Å; N986-R1084 PolarHBondContact ND2-NH1 2.87Å; N986-R1084 VanDerWaalsContact ND2-NH1 3.2Å; S1017-R1084 WeakPolarHBondContact O-CA 3.49Å; S1017-R1084 WeakPolarHBondContact O-CD 3.36Å; S1017-R1084 PolarHBondContact OG-NH1 2.84Å; S1063-R1084 PolarHBondContact O-NH2 3.34Å; S1063-R1084 VanDerWaalsContact O-NH2 3.14Å; D1064-R1084 IonicContact OD2-CZ 2.84Å; D1064-R1084 VanDerWaalsContact OD2-CZ 3.31Å; D1064-R1084 IonicContact OD2-NE 2.7Å; D1064-R1084 PolarHBondContact OD2-NE 3.08Å; D1064-R1084 IonicContact OD2-NH2 3.87Å; D1064-R1084 PolarHBondContact OD2-NH2 2.94Å; V1068-R1084 HydrophobicContact CG1-CB 4.01Å; V1068-R1084 HydrophobicContact CG1-CG 3.85Å; V1068-R1084 HydrophobicContact CG2-CG 4.45Å; F1082-R1084 HydrophobicContact CE1-CB 3.99Å; F1082-R1084 HydrophobicContact CZ-CB 4.19Å; R1084-R1120 PolarHBondContact O-NH2 3.29Å |
| 1085 | L | 95.6 | Very high | 90.4 | Very high | 5 Ų | 5 | 31.2 Ų | 31.2 | 3% | 0.026 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 122.6 | 164.3 | -63.5 | 173.8 | 0 | 0 | 0 | 108.4 | L746 S1017 L1018 G1019 V1117 I1121 L1124 | L746-L1085 HydrophobicContact CD1-CB 4.18Å; L746-L1085 HydrophobicContact CD2-CB 4.21Å; S1017-L1085 PolarHBondContact O-N 3.08Å; L1018-L1085 WeakPolarHBondContact CA-O 3.47Å; L1018-L1085 HydrophobicContact CD2-CB 3.81Å; L1018-L1085 HydrophobicContact CD2-CD1 3.99Å; L1018-L1085 HydrophobicContact CD2-CG 4.29Å; G1019-L1085 PolarHBondContact N-O 2.98Å; L1085-V1117 HydrophobicContact CD2-CG2 4.49Å; L1085-I1121 HydrophobicContact CD1-CG1 4.45Å; L1085-L1124 HydrophobicContact CD1-CD2 4.41Å |
| 1086 | S | 94.5 | Very high | 90.4 | Very high | 3 Ų | 3 | 31.3 Ų | 31.3 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | trans | -160.7 | 106.6 | 177.1 | -165 | 0 | 0 | 0 | 0 | 108.8 | G1021 R1022 | G1021-S1086 WeakPolarHBondContact CA-OG 3.34Å; G1021-S1086 PolarHBondContact N-OG 3.22Å; R1022-S1086 WeakPolarHBondContact CG-OG 3.45Å; R1022-S1086 PolarHBondContact NE-O 2.86Å | ||
| 1087 | P | 92.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -64.7 | 144.6 | -176 | 26.5 | -35.1 | 0 | 0 | 0 | 111.1 | V742 G1021 R1022 L1089 T1110 Y1113 | V742-P1087 HydrophobicContact CG1-CG 3.41Å; V742-P1087 VanDerWaalsContact CG1-CG 3.41Å; G1021-P1087 CarbonylContact C-O 3.57Å; G1021-P1087 VanDerWaalsContact CA-O 3.29Å; G1021-P1087 WeakPolarHBondContact CA-O 3.18Å; R1022-P1087 PolarHBondContact N-O 2.74Å; P1087-L1089 HydrophobicContact CG-CD2 4.47Å; P1087-T1110 HydrophobicContact CG-CG2 4.16Å; P1087-Y1113 HydrophobicContact CB-CD1 3.69Å; P1087-Y1113 HydrophobicContact CB-CD2 4.18Å; P1087-Y1113 HydrophobicContact CB-CE1 4.28Å; P1087-Y1113 HydrophobicContact CB-CG 3.62Å; P1087-Y1113 HydrophobicContact CG-CD1 4.45Å | ||
| 1088 | P | 90.8 | Very high | 90.8 | Very high | 35 Ų | 35 | 28.2 Ų | 28.2 | 23% | 0.227 | 16% | 0.162 | C | C | . | . | B | Isolated β-bridge | trans | -67.7 | 139.3 | 163.5 | 30.7 | -30.9 | 0 | 0 | 0 | 109.9 | D472 | D472-P1088 WeakPolarHBondContact OD2-CB 3.36Å |
| 1089 | L | 89.3 | Confident | 91.2 | Very high | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | trans | -104.5 | 148.8 | 176.1 | -55.7 | -177.2 | 0 | 0 | 0 | 110.3 | H469 R1022 L1023 P1087 M1106 | H469-L1089 PolarHBondContact NE2-O 2.8Å; H469-L1089 VanDerWaalsContact NE2-O 3.1Å; R1022-L1089 PolarHBondContact O-N 3.2Å; L1023-L1089 HydrophobicContact CD2-CD1 4.46Å; P1087-L1089 HydrophobicContact CG-CD2 4.47Å; L1089-M1106 HydrophobicContact CD1-CG 4.41Å; L1089-M1106 HydrophobicContact CD2-CG 3.94Å | ||
| 1090 | S | 86 | Confident | 91.6 | Very high | 28 Ų | 28 | 28.5 Ų | 28.5 | 20% | 0.196 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -77 | -25.6 | 175.3 | 63.1 | 0 | 0 | 0 | 0 | 114 | E1109 | S1090-E1109 WeakPolarHBondContact CB-OE1 3.36Å; S1090-E1109 PolarHBondContact N-OE2 2.93Å; S1090-E1109 VanDerWaalsContact OG-CD 3.29Å; S1090-E1109 PolarHBondContact OG-OE1 3.03Å; S1090-E1109 PolarHBondContact OG-OE2 2.7Å |
| 1091 | T | 85.7 | Confident | 91.8 | Very high | 51 Ų | 51 | 32 Ų | 32 | 31% | 0.313 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -131.2 | 159.9 | -170.7 | 56.3 | 0 | 0 | 0 | 0 | 114.1 | P1024 I1093 | P1024-T1091 VanDerWaalsContact CD-O 3.27Å; P1024-T1091 WeakPolarHBondContact CD-O 3.47Å; T1091-I1093 VanDerWaalsContact C-N 3.35Å; T1091-I1093 PolarHBondContact O-N 2.7Å; T1091-I1093 WeakPolarHBondContact OG1-CG1 3.39Å |
| 1092 | D | 86.6 | Confident | 91.9 | Very high | 70 Ų | 70 | 32.9 Ų | 32.9 | 37% | 0.374 | 17% | 0.168 | S | C | . | . | trans | -79.3 | 77 | 176 | -174.6 | 20.5 | 0 | 0 | 0 | 111.8 | L1023 R1054 R1094 | L1023-D1092 WeakPolarHBondContact CD1-OD1 3.43Å; R1054-D1092 IonicContact NH2-OD2 3.98Å; D1092-R1094 PolarHBondContact O-N 2.73Å | ||
| 1093 | I | 90.2 | Very high | 91.9 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | trans | -75 | 115.1 | -177.6 | -58.3 | -177.3 | 0 | 0 | 0 | 110.5 | R739 T1091 L1103 M1106 | R739-I1093 WeakPolarHBondContact CD-O 3.39Å; R739-I1093 HydrophobicContact CG-CB 4.31Å; R739-I1093 HydrophobicContact CG-CG2 3.94Å; T1091-I1093 VanDerWaalsContact C-N 3.35Å; T1091-I1093 PolarHBondContact O-N 2.7Å; T1091-I1093 WeakPolarHBondContact OG1-CG1 3.39Å; I1093-L1103 HydrophobicContact CG2-CD2 4.39Å; I1093-M1106 HydrophobicContact CD1-CB 3.52Å; I1093-M1106 HydrophobicContact CD1-CG 3.8Å; I1093-M1106 HydrophobicContact CD1-SD 3.84Å; I1093-M1106 HydrophobicContact CG2-SD 4.24Å | ||
| 1094 | R | 89.7 | Confident | 91.9 | Very high | 116 Ų | 116 | 31.5 Ų | 31.5 | 44% | 0.438 | 16% | 0.162 | S | C | . | . | trans | -67.7 | 149.4 | -178.8 | -62.9 | -179.9 | -68.4 | 127.3 | -2.9 | 112 | D1092 D1096 S1097 | D1092-R1094 PolarHBondContact O-N 2.73Å; R1094-D1096 IonicContact NH1-OD1 3.59Å; R1094-D1096 PolarHBondContact NH1-OD1 2.87Å; R1094-D1096 PolarHBondContact O-N 3.03Å; R1094-D1096 VanDerWaalsContact O-N 3.11Å; R1094-S1097 PolarHBondContact O-N 2.93Å | ||
| 1095 | L | 88.6 | Confident | 91.8 | Very high | 55 Ų | 55 | 32.6 Ų | 32.6 | 29% | 0.288 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -30 | 177.8 | -63.2 | 174.2 | 0 | 0 | 0 | 113.2 | G736 G737 M738 Y970 | G736-L1095 VanDerWaalsContact O-CD2 3.23Å; G736-L1095 WeakPolarHBondContact O-CD2 3.13Å; G737-L1095 CarbonylContact C-O 3.5Å; G737-L1095 VanDerWaalsContact CA-O 3.3Å; G737-L1095 WeakPolarHBondContact CA-O 3.47Å; M738-L1095 PolarHBondContact N-O 3.16Å; Y970-L1095 HydrophobicContact CE1-CB 4.27Å; Y970-L1095 HydrophobicContact CE2-CB 4.34Å; Y970-L1095 HydrophobicContact CE2-CD1 3.66Å |
| 1096 | D | 92.2 | Very high | 91.8 | Very high | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.011 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.5 | 27.4 | 179.1 | 70.3 | -27.3 | 0 | 0 | 0 | 112.7 | F799 R803 Y805 Y970 R1094 T1098 | F799-D1096 HydrophobicContact CB-CB 4.42Å; F799-D1096 HydrophobicContact CD1-CB 3.67Å; F799-D1096 HydrophobicContact CD2-CB 4.27Å; F799-D1096 HydrophobicContact CE1-CB 3.92Å; F799-D1096 HydrophobicContact CE2-CB 4.5Å; F799-D1096 HydrophobicContact CG-CB 3.86Å; F799-D1096 HydrophobicContact CZ-CB 4.33Å; R803-D1096 IonicContact CZ-OD1 3.16Å; R803-D1096 IonicContact CZ-OD2 2.74Å; R803-D1096 IonicContact NE-OD2 2.75Å; R803-D1096 PolarHBondContact NE-OD2 3.47Å; R803-D1096 IonicContact NH2-OD1 2.72Å; R803-D1096 PolarHBondContact NH2-OD1 2.9Å; R803-D1096 IonicContact NH2-OD2 2.62Å; R803-D1096 PolarHBondContact NH2-OD2 3.23Å; Y805-D1096 HydrophobicContact CE2-CB 4.4Å; Y805-D1096 PolarHBondContact OH-OD2 3.39Å; Y970-D1096 HydrophobicContact CD1-CB 3.85Å; Y970-D1096 HydrophobicContact CE1-CB 3.74Å; Y970-D1096 VanDerWaalsContact CE1-CG 3.45Å; R1094-D1096 IonicContact NH1-OD1 3.59Å; R1094-D1096 PolarHBondContact NH1-OD1 2.87Å; R1094-D1096 PolarHBondContact O-N 3.03Å; R1094-D1096 VanDerWaalsContact O-N 3.11Å; D1096-T1098 PolarHBondContact O-N 3.21Å; D1096-T1098 VanDerWaalsContact O-N 3.14Å |
| 1097 | S | 92.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -62.5 | 124 | -178.4 | -163.6 | 0 | 0 | 0 | 0 | 111 | R1094 E1102 | R1094-S1097 PolarHBondContact O-N 2.93Å; S1097-E1102 WeakPolarHBondContact CB-OE2 3.38Å; S1097-E1102 PolarHBondContact OG-OE2 2.97Å | ||
| 1098 | T | 92.3 | Very high | 91.9 | Very high | 65 Ų | 65 | 32.5 Ų | 32.5 | 40% | 0.399 | 17% | 0.168 | S | C | . | . | trans | -99.5 | -1.3 | 177.7 | 56.2 | 0 | 0 | 0 | 0 | 112.9 | K795 F799 D1096 S1100 | K795-T1098 HydrophobicContact CB-CG2 4.07Å; F799-T1098 HydrophobicContact CB-CG2 3.92Å; D1096-T1098 PolarHBondContact O-N 3.21Å; D1096-T1098 VanDerWaalsContact O-N 3.14Å; T1098-S1100 PolarHBondContact O-N 3.46Å | ||
| 1099 | D | 94.4 | Very high | 91.9 | Very high | 70 Ų | 70 | 32.5 Ų | 32.5 | 37% | 0.374 | 17% | 0.165 | S | C | . | . | trans | -77 | 104.8 | 174.4 | -169.2 | -16.5 | 0 | 0 | 0 | 110.2 | K1101 E1102 L1103 | D1099-K1101 PolarHBondContact O-N 3.33Å; D1099-K1101 VanDerWaalsContact O-N 3.07Å; D1099-K1101 WeakPolarHBondContact OD1-CB 3.43Å; D1099-K1101 WeakPolarHBondContact OD1-CG 3.33Å; D1099-K1101 PolarHBondContact OD1-N 3.42Å; D1099-E1102 HydrophobicContact CB-CB 4.39Å; D1099-E1102 HydrophobicContact CB-CG 4.05Å; D1099-E1102 PolarHBondContact O-N 2.91Å; D1099-L1103 WeakPolarHBondContact O-CG 3.42Å; D1099-L1103 PolarHBondContact O-N 3.38Å | ||
| 1100 | S | 95 | Very high | 92.2 | Very high | 8 Ų | 8 | 32.4 Ų | 32.4 | 6% | 0.056 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -47.4 | -34.2 | 172.7 | -54.3 | 0 | 0 | 0 | 0 | 113.1 | L349 K795 T1098 L1103 L1104 | L349-S1100 WeakPolarHBondContact CD2-OG 3.38Å; K795-S1100 WeakPolarHBondContact CE-OG 3.38Å; T1098-S1100 PolarHBondContact O-N 3.46Å; S1100-L1103 PolarHBondContact O-N 2.7Å; S1100-L1104 WeakPolarHBondContact O-CB 3.35Å; S1100-L1104 WeakPolarHBondContact O-CG 3.48Å; S1100-L1104 PolarHBondContact O-N 2.96Å |
| 1101 | K | 94.7 | Very high | 92.6 | Very high | 83 Ų | 83 | 32.7 Ų | 32.7 | 36% | 0.361 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -73.9 | -39 | -174.7 | -57.2 | 171.5 | 171.1 | -153.8 | 0 | 112 | F345 H380 D1099 L1105 | F345-K1101 HydrophobicContact CE1-CG 4.29Å; F345-K1101 HydrophobicContact CZ-CG 4.33Å; H380-K1101 PolarHBondContact CD2-NZ 3.09Å; H380-K1101 WeakPolarHBondContact NE2-CE 3.41Å; H380-K1101 PolarHBondContact NE2-NZ 2.75Å; D1099-K1101 PolarHBondContact O-N 3.33Å; D1099-K1101 VanDerWaalsContact O-N 3.07Å; D1099-K1101 WeakPolarHBondContact OD1-CB 3.43Å; D1099-K1101 WeakPolarHBondContact OD1-CG 3.33Å; D1099-K1101 PolarHBondContact OD1-N 3.42Å; K1101-L1105 WeakPolarHBondContact O-CB 3.46Å; K1101-L1105 PolarHBondContact O-N 3.18Å; K1101-L1105 VanDerWaalsContact O-N 3.07Å |
| 1102 | E | 93.1 | Very high | 92.9 | Very high | 58 Ų | 58 | 32.3 Ų | 32.3 | 27% | 0.271 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -63 | -47 | 170.7 | -67.4 | -176 | 163.7 | 0 | 0 | 110.5 | S1097 D1099 L1104 L1105 M1106 | S1097-E1102 WeakPolarHBondContact CB-OE2 3.38Å; S1097-E1102 PolarHBondContact OG-OE2 2.97Å; D1099-E1102 HydrophobicContact CB-CB 4.39Å; D1099-E1102 HydrophobicContact CB-CG 4.05Å; D1099-E1102 PolarHBondContact O-N 2.91Å; E1102-L1104 PolarHBondContact O-N 3.3Å; E1102-L1105 PolarHBondContact O-N 3.16Å; E1102-M1106 WeakPolarHBondContact O-CB 3.29Å; E1102-M1106 PolarHBondContact O-N 3.14Å |
| 1103 | L | 95.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.5 | -37.3 | -177.7 | -61.8 | 174.5 | 0 | 0 | 0 | 112.6 | M738 L741 F792 K795 I1093 D1099 S1100 M1106 I1107 | M738-L1103 HydrophobicContact CB-CD2 3.81Å; M738-L1103 HydrophobicContact CE-CD1 3.55Å; M738-L1103 HydrophobicContact CE-CD2 4.46Å; L741-L1103 HydrophobicContact CD1-CB 4.48Å; L741-L1103 HydrophobicContact CD1-CD2 4.39Å; F792-L1103 HydrophobicContact CE1-CD1 4.46Å; F792-L1103 HydrophobicContact CE2-CB 3.84Å; F792-L1103 HydrophobicContact CE2-CD1 4.39Å; F792-L1103 HydrophobicContact CZ-CB 3.89Å; F792-L1103 HydrophobicContact CZ-CD1 4.15Å; K795-L1103 HydrophobicContact CD-CD1 4.32Å; I1093-L1103 HydrophobicContact CG2-CD2 4.39Å; D1099-L1103 WeakPolarHBondContact O-CG 3.42Å; D1099-L1103 PolarHBondContact O-N 3.38Å; S1100-L1103 PolarHBondContact O-N 2.7Å; L1103-M1106 HydrophobicContact CD2-CE 3.96Å; L1103-I1107 WeakPolarHBondContact O-CG1 3.48Å; L1103-I1107 PolarHBondContact O-N 2.9Å; L1103-I1107 VanDerWaalsContact O-N 3.16Å |
| 1104 | L | 95.7 | Very high | 93.3 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -70.6 | -39 | 174.6 | -72.5 | 174.7 | 0 | 0 | 0 | 112.3 | F345 L349 R383 A384 A387 F388 F792 S1100 E1102 I1107 V1108 | F345-L1104 HydrophobicContact CE2-CD1 3.7Å; F345-L1104 HydrophobicContact CZ-CD1 3.83Å; L349-L1104 HydrophobicContact CD1-CD1 4.32Å; R383-L1104 HydrophobicContact CB-CB 4.26Å; A384-L1104 HydrophobicContact CB-CD1 3.8Å; A384-L1104 HydrophobicContact CB-CD2 4.36Å; A387-L1104 HydrophobicContact CB-CD2 3.5Å; F388-L1104 HydrophobicContact CD2-CD2 4.48Å; F388-L1104 HydrophobicContact CE2-CD2 4.17Å; F792-L1104 HydrophobicContact CE2-CD2 4.25Å; F792-L1104 HydrophobicContact CZ-CD2 4.26Å; F792-L1104 HydrophobicContact CZ-CG 4.2Å; S1100-L1104 WeakPolarHBondContact O-CB 3.35Å; S1100-L1104 WeakPolarHBondContact O-CG 3.48Å; S1100-L1104 PolarHBondContact O-N 2.96Å; E1102-L1104 PolarHBondContact O-N 3.3Å; L1104-I1107 PolarHBondContact O-N 2.71Å; L1104-V1108 WeakPolarHBondContact O-CG2 3.41Å; L1104-V1108 PolarHBondContact O-N 2.92Å; L1104-V1108 VanDerWaalsContact O-N 3.11Å |
| 1105 | L | 93.4 | Very high | 93.3 | Very high | 31 Ų | 31 | 31.9 Ų | 31.9 | 16% | 0.162 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.7 | -48.9 | 172.4 | 176 | 61.2 | 0 | 0 | 0 | 110.8 | K1101 E1102 I1107 V1108 E1109 | K1101-L1105 WeakPolarHBondContact O-CB 3.46Å; K1101-L1105 PolarHBondContact O-N 3.18Å; K1101-L1105 VanDerWaalsContact O-N 3.07Å; E1102-L1105 PolarHBondContact O-N 3.16Å; L1105-I1107 VanDerWaalsContact C-N 3.3Å; L1105-I1107 PolarHBondContact O-N 2.99Å; L1105-V1108 PolarHBondContact O-N 3.34Å; L1105-V1108 VanDerWaalsContact O-N 3.11Å; L1105-E1109 HydrophobicContact CD1-CG 3.99Å; L1105-E1109 WeakPolarHBondContact CD1-OE1 3.49Å; L1105-E1109 HydrophobicContact CG-CG 4.32Å; L1105-E1109 WeakPolarHBondContact CG-OE1 3.39Å; L1105-E1109 WeakPolarHBondContact O-CB 3.3Å; L1105-E1109 WeakPolarHBondContact O-CG 3.47Å; L1105-E1109 PolarHBondContact O-N 3.47Å |
| 1106 | M | 94.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -54.7 | -41.6 | 177 | -174.2 | -176.6 | 60.5 | 0 | 0 | 113.3 | R739 L741 V742 L1089 I1093 E1102 L1103 T1110 | R739-M1106 HydrophobicContact CB-SD 4.02Å; R739-M1106 HydrophobicContact CG-SD 3.88Å; L741-M1106 HydrophobicContact CB-CE 3.85Å; L741-M1106 HydrophobicContact CD1-CE 4.14Å; V742-M1106 HydrophobicContact CG2-CE 4.32Å; V742-M1106 HydrophobicContact CG2-CG 3.75Å; V742-M1106 HydrophobicContact CG2-SD 3.75Å; L1089-M1106 HydrophobicContact CD1-CG 4.41Å; L1089-M1106 HydrophobicContact CD2-CG 3.94Å; I1093-M1106 HydrophobicContact CD1-CB 3.52Å; I1093-M1106 HydrophobicContact CD1-CG 3.8Å; I1093-M1106 HydrophobicContact CD1-SD 3.84Å; I1093-M1106 HydrophobicContact CG2-SD 4.24Å; E1102-M1106 WeakPolarHBondContact O-CB 3.29Å; E1102-M1106 PolarHBondContact O-N 3.14Å; L1103-M1106 HydrophobicContact CD2-CE 3.96Å; M1106-T1110 WeakPolarHBondContact O-CB 3.32Å; M1106-T1110 PolarHBondContact O-N 3.35Å; M1106-T1110 PolarHBondContact O-OG1 3.34Å |
| 1107 | I | 95.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66 | -45.2 | 177.2 | -72.9 | 166.3 | 0 | 0 | 0 | 110.7 | A387 L741 Q745 F792 L1103 L1104 L1105 T1110 Q1111 | A387-I1107 HydrophobicContact CB-CB 4.01Å; A387-I1107 HydrophobicContact CB-CD1 4.18Å; A387-I1107 HydrophobicContact CB-CG2 3.46Å; A387-I1107 VanDerWaalsContact CB-CG2 3.46Å; L741-I1107 HydrophobicContact CB-CD1 4.46Å; L741-I1107 HydrophobicContact CB-CG1 4.37Å; L741-I1107 HydrophobicContact CD1-CD1 4.35Å; Q745-I1107 HydrophobicContact CG-CG2 4.13Å; F792-I1107 HydrophobicContact CD2-CD1 4.44Å; F792-I1107 HydrophobicContact CE2-CD1 4.15Å; L1103-I1107 WeakPolarHBondContact O-CG1 3.48Å; L1103-I1107 PolarHBondContact O-N 2.9Å; L1103-I1107 VanDerWaalsContact O-N 3.16Å; L1104-I1107 PolarHBondContact O-N 2.71Å; L1105-I1107 VanDerWaalsContact C-N 3.3Å; L1105-I1107 PolarHBondContact O-N 2.99Å; I1107-T1110 CarbonylContact O-C 3.54Å; I1107-T1110 WeakPolarHBondContact O-CA 3.42Å; I1107-T1110 WeakPolarHBondContact O-CB 3.44Å; I1107-T1110 PolarHBondContact O-N 3.4Å; I1107-Q1111 WeakPolarHBondContact O-CG 3.42Å; I1107-Q1111 PolarHBondContact O-N 3.08Å |
| 1108 | V | 93.7 | Very high | 93.1 | Very high | 6 Ų | 6 | 41.5 Ų | 41.5 | 4% | 0.036 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -71.9 | -33.8 | -178.1 | 170.8 | 0 | 0 | 0 | 0 | 112.1 | R383 L386 T425 L429 L1104 L1105 T1110 Q1111 T1112 | R383-V1108 HydrophobicContact CB-CG2 4.18Å; R383-V1108 HydrophobicContact CG-CG2 4.18Å; L386-V1108 HydrophobicContact CB-CG2 4.43Å; T425-V1108 HydrophobicContact CG2-CG1 3.6Å; L429-V1108 HydrophobicContact CD1-CG1 4.34Å; L1104-V1108 WeakPolarHBondContact O-CG2 3.41Å; L1104-V1108 PolarHBondContact O-N 2.92Å; L1104-V1108 VanDerWaalsContact O-N 3.11Å; L1105-V1108 PolarHBondContact O-N 3.34Å; L1105-V1108 VanDerWaalsContact O-N 3.11Å; V1108-T1110 VanDerWaalsContact C-N 3.35Å; V1108-Q1111 PolarHBondContact O-N 2.79Å; V1108-T1112 WeakPolarHBondContact O-CB 3.41Å; V1108-T1112 PolarHBondContact O-N 3.03Å; V1108-T1112 PolarHBondContact O-OG1 3.21Å |
| 1109 | E | 91.9 | Very high | 92.9 | Very high | 35 Ų | 35 | 46.5 Ų | 46.5 | 16% | 0.164 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.6 | -40.5 | 167.3 | -74.3 | -179.2 | -177.1 | 0 | 0 | 111.3 | S1090 L1105 T1112 Y1113 | S1090-E1109 WeakPolarHBondContact CB-OE1 3.36Å; S1090-E1109 PolarHBondContact N-OE2 2.93Å; S1090-E1109 VanDerWaalsContact OG-CD 3.29Å; S1090-E1109 PolarHBondContact OG-OE1 3.03Å; S1090-E1109 PolarHBondContact OG-OE2 2.7Å; L1105-E1109 HydrophobicContact CD1-CG 3.99Å; L1105-E1109 WeakPolarHBondContact CD1-OE1 3.49Å; L1105-E1109 HydrophobicContact CG-CG 4.32Å; L1105-E1109 WeakPolarHBondContact CG-OE1 3.39Å; L1105-E1109 WeakPolarHBondContact O-CB 3.3Å; L1105-E1109 WeakPolarHBondContact O-CG 3.47Å; L1105-E1109 PolarHBondContact O-N 3.47Å; E1109-T1112 WeakPolarHBondContact O-CB 3.43Å; E1109-T1112 PolarHBondContact O-N 3.01Å; E1109-Y1113 PolarHBondContact O-N 3.2Å |
| 1110 | T | 94.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.6 | -42.8 | 174 | -57.7 | 0 | 0 | 0 | 0 | 111.5 | V742 Q745 L746 P1087 M1106 I1107 V1108 T1112 Y1113 L1114 | V742-T1110 HydrophobicContact CG1-CG2 4.06Å; Q745-T1110 HydrophobicContact CB-CG2 3.76Å; L746-T1110 HydrophobicContact CD2-CG2 4.48Å; P1087-T1110 HydrophobicContact CG-CG2 4.16Å; M1106-T1110 WeakPolarHBondContact O-CB 3.32Å; M1106-T1110 PolarHBondContact O-N 3.35Å; M1106-T1110 PolarHBondContact O-OG1 3.34Å; I1107-T1110 CarbonylContact O-C 3.54Å; I1107-T1110 WeakPolarHBondContact O-CA 3.42Å; I1107-T1110 WeakPolarHBondContact O-CB 3.44Å; I1107-T1110 PolarHBondContact O-N 3.4Å; V1108-T1110 VanDerWaalsContact C-N 3.35Å; T1110-T1112 VanDerWaalsContact C-N 3.32Å; T1110-T1112 PolarHBondContact O-N 2.89Å; T1110-Y1113 PolarHBondContact O-N 3.36Å; T1110-L1114 HydrophobicContact CG2-CD1 4.09Å; T1110-L1114 HydrophobicContact CG2-CG 4.37Å; T1110-L1114 WeakPolarHBondContact O-CB 3.38Å; T1110-L1114 WeakPolarHBondContact O-CG 3.43Å; T1110-L1114 PolarHBondContact O-N 2.68Å |
| 1111 | Q | 94.1 | Very high | 92.6 | Very high | 35 Ų | 35 | 45.1 Ų | 45.1 | 16% | 0.164 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62 | -37.9 | 173.8 | -71.2 | 170.8 | -31 | 0 | 0 | 112.1 | L386 L429 I1107 V1108 L1114 R1115 | L386-Q1111 PolarHBondContact O-NE2 2.85Å; L429-Q1111 HydrophobicContact CD2-CB 3.44Å; L429-Q1111 VanDerWaalsContact CD2-CB 3.44Å; I1107-Q1111 WeakPolarHBondContact O-CG 3.42Å; I1107-Q1111 PolarHBondContact O-N 3.08Å; V1108-Q1111 PolarHBondContact O-N 2.79Å; Q1111-L1114 WeakPolarHBondContact O-CB 3.39Å; Q1111-L1114 PolarHBondContact O-N 2.8Å; Q1111-R1115 PolarHBondContact O-N 3.19Å; Q1111-R1115 VanDerWaalsContact O-N 3.1Å |
| 1112 | T | 91.7 | Very high | 92.5 | Very high | 42 Ų | 42 | 44.6 Ų | 44.6 | 26% | 0.258 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -65.9 | -43.5 | 174.8 | -57.6 | 0 | 0 | 0 | 0 | 111.7 | A428 V1108 E1109 T1110 R1115 R1116 | A428-T1112 HydrophobicContact CB-CG2 3.88Å; V1108-T1112 WeakPolarHBondContact O-CB 3.41Å; V1108-T1112 PolarHBondContact O-N 3.03Å; V1108-T1112 PolarHBondContact O-OG1 3.21Å; E1109-T1112 WeakPolarHBondContact O-CB 3.43Å; E1109-T1112 PolarHBondContact O-N 3.01Å; T1110-T1112 VanDerWaalsContact C-N 3.32Å; T1110-T1112 PolarHBondContact O-N 2.89Å; T1112-R1115 PolarHBondContact O-N 2.66Å; T1112-R1116 PolarHBondContact O-N 3.4Å |
| 1113 | Y | 93.3 | Very high | 92.4 | Very high | 25 Ų | 25 | 46 Ų | 46 | 10% | 0.098 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.2 | -45.7 | 172.3 | 168.2 | -99.3 | 0 | 0 | 0 | 111.7 | L746 P1087 E1109 T1110 R1115 R1116 V1117 | L746-Y1113 HydrophobicContact CD2-CD1 4.35Å; L746-Y1113 HydrophobicContact CD2-CE1 4.08Å; P1087-Y1113 HydrophobicContact CB-CD1 3.69Å; P1087-Y1113 HydrophobicContact CB-CD2 4.18Å; P1087-Y1113 HydrophobicContact CB-CE1 4.28Å; P1087-Y1113 HydrophobicContact CB-CG 3.62Å; P1087-Y1113 HydrophobicContact CG-CD1 4.45Å; E1109-Y1113 PolarHBondContact O-N 3.2Å; T1110-Y1113 PolarHBondContact O-N 3.36Å; Y1113-R1115 VanDerWaalsContact C-N 3.31Å; Y1113-R1115 PolarHBondContact O-N 2.84Å; Y1113-R1116 CarbonylContact O-C 3.52Å; Y1113-R1116 WeakPolarHBondContact O-CA 3.45Å; Y1113-R1116 WeakPolarHBondContact O-CB 3.4Å; Y1113-R1116 PolarHBondContact O-N 3.05Å; Y1113-V1117 HydrophobicContact CD1-CG2 4.12Å; Y1113-V1117 HydrophobicContact CD2-CG1 4.19Å; Y1113-V1117 HydrophobicContact CE1-CG1 4.46Å; Y1113-V1117 HydrophobicContact CE1-CG2 3.74Å; Y1113-V1117 HydrophobicContact CE2-CG1 3.67Å; Y1113-V1117 HydrophobicContact CE2-CG2 4.43Å; Y1113-V1117 WeakPolarHBondContact O-CG2 3.5Å; Y1113-V1117 PolarHBondContact O-N 2.93Å |
| 1114 | L | 93 | Very high | 92.2 | Very high | 19 Ų | 19 | 46 Ų | 46 | 10% | 0.099 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -55.7 | -43.1 | 178.8 | -78.7 | 169.2 | 0 | 0 | 0 | 112.3 | Q745 L746 A749 T1110 Q1111 V1117 H1118 I1121 | Q745-L1114 HydrophobicContact CB-CD1 4.16Å; L746-L1114 HydrophobicContact CD2-CD2 3.77Å; L746-L1114 HydrophobicContact CD2-CG 4.39Å; A749-L1114 HydrophobicContact CB-CD1 4.05Å; A749-L1114 HydrophobicContact CB-CD2 3.51Å; A749-L1114 HydrophobicContact CB-CG 4.3Å; T1110-L1114 HydrophobicContact CG2-CD1 4.09Å; T1110-L1114 HydrophobicContact CG2-CG 4.37Å; T1110-L1114 WeakPolarHBondContact O-CB 3.38Å; T1110-L1114 WeakPolarHBondContact O-CG 3.43Å; T1110-L1114 PolarHBondContact O-N 2.68Å; Q1111-L1114 WeakPolarHBondContact O-CB 3.39Å; Q1111-L1114 PolarHBondContact O-N 2.8Å; L1114-V1117 CarbonylContact O-C 3.57Å; L1114-V1117 PolarHBondContact O-N 3.22Å; L1114-H1118 PolarHBondContact O-N 3.16Å; L1114-I1121 HydrophobicContact CD2-CD1 3.33Å |
| 1115 | R | 88.4 | Confident | 92.1 | Very high | 135 Ų | 135 | 46 Ų | 46 | 51% | 0.509 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -58.6 | -47.1 | 171.5 | 179.8 | -170.1 | 174.6 | -156.7 | 4.3 | 111.7 | D427 A428 G430 Q1111 T1112 Y1113 V1117 H1118 | D427-R1115 PolarHBondContact O-NH1 2.72Å; A428-R1115 WeakPolarHBondContact O-CD 3.44Å; A428-R1115 PolarHBondContact O-NH1 2.96Å; G430-R1115 VanDerWaalsContact CA-NH1 3.27Å; Q1111-R1115 PolarHBondContact O-N 3.19Å; Q1111-R1115 VanDerWaalsContact O-N 3.1Å; T1112-R1115 PolarHBondContact O-N 2.66Å; Y1113-R1115 VanDerWaalsContact C-N 3.31Å; Y1113-R1115 PolarHBondContact O-N 2.84Å; R1115-V1117 VanDerWaalsContact C-N 3.29Å; R1115-V1117 PolarHBondContact O-N 2.89Å; R1115-H1118 VanDerWaalsContact O-CB 3.32Å; R1115-H1118 WeakPolarHBondContact O-CB 3.47Å; R1115-H1118 PolarHBondContact O-N 3.19Å |
| 1116 | R | 88.9 | Confident | 92 | Very high | 150 Ų | 150 | 48 Ų | 48 | 57% | 0.566 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -66.5 | -27.3 | -178.3 | -177.8 | 170.6 | 170.5 | -117.2 | -9.7 | 113.3 | E476 T1112 Y1113 | E476-R1116 VanDerWaalsContact CD-NH1 3.28Å; E476-R1116 IonicContact OE1-CZ 3.97Å; E476-R1116 IonicContact OE1-NH1 3.58Å; E476-R1116 PolarHBondContact OE1-NH1 3.28Å; E476-R1116 VanDerWaalsContact OE1-NH1 3.14Å; E476-R1116 IonicContact OE2-CZ 3.15Å; E476-R1116 IonicContact OE2-NH1 3.19Å; E476-R1116 PolarHBondContact OE2-NH1 3.36Å; E476-R1116 IonicContact OE2-NH2 2.71Å; E476-R1116 PolarHBondContact OE2-NH2 2.92Å; T1112-R1116 PolarHBondContact O-N 3.4Å; Y1113-R1116 CarbonylContact O-C 3.52Å; Y1113-R1116 WeakPolarHBondContact O-CA 3.45Å; Y1113-R1116 WeakPolarHBondContact O-CB 3.4Å; Y1113-R1116 PolarHBondContact O-N 3.05Å |
| 1117 | V | 90.2 | Very high | 91.6 | Very high | 19 Ų | 19 | 50.7 Ų | 50.7 | 12% | 0.115 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | 17.9 | 176.4 | -54.4 | 0 | 0 | 0 | 0 | 113.7 | L1085 Y1113 L1114 R1115 E1119 R1120 I1121 | L1085-V1117 HydrophobicContact CD2-CG2 4.49Å; Y1113-V1117 HydrophobicContact CD1-CG2 4.12Å; Y1113-V1117 HydrophobicContact CD2-CG1 4.19Å; Y1113-V1117 HydrophobicContact CE1-CG1 4.46Å; Y1113-V1117 HydrophobicContact CE1-CG2 3.74Å; Y1113-V1117 HydrophobicContact CE2-CG1 3.67Å; Y1113-V1117 HydrophobicContact CE2-CG2 4.43Å; Y1113-V1117 WeakPolarHBondContact O-CG2 3.5Å; Y1113-V1117 PolarHBondContact O-N 2.93Å; L1114-V1117 CarbonylContact O-C 3.57Å; L1114-V1117 PolarHBondContact O-N 3.22Å; R1115-V1117 VanDerWaalsContact C-N 3.29Å; R1115-V1117 PolarHBondContact O-N 2.89Å; V1117-E1119 PolarHBondContact O-N 3.14Å; V1117-R1120 HydrophobicContact CB-CB 4.44Å; V1117-R1120 WeakPolarHBondContact O-CA 3.41Å; V1117-R1120 WeakPolarHBondContact O-CB 3.38Å; V1117-R1120 PolarHBondContact O-N 3.19Å; V1117-I1121 HydrophobicContact CG2-CD1 3.93Å; V1117-I1121 HydrophobicContact CG2-CG1 4.23Å; V1117-I1121 PolarHBondContact O-N 3.41Å; V1117-I1121 VanDerWaalsContact O-N 3.12Å |
| 1118 | H | 89.9 | Confident | 91.3 | Very high | 89 Ų | 89 | 50.7 Ų | 50.7 | 41% | 0.412 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -53.5 | -47 | -174.8 | 175.1 | 42 | 0 | 0 | 0 | 112.9 | L1114 R1115 R1120 I1121 E1122 | L1114-H1118 PolarHBondContact O-N 3.16Å; R1115-H1118 VanDerWaalsContact O-CB 3.32Å; R1115-H1118 WeakPolarHBondContact O-CB 3.47Å; R1115-H1118 PolarHBondContact O-N 3.19Å; H1118-R1120 VanDerWaalsContact C-N 3.26Å; H1118-R1120 PolarHBondContact O-N 2.86Å; H1118-I1121 CarbonylContact O-C 3.47Å; H1118-I1121 WeakPolarHBondContact O-CA 3.45Å; H1118-I1121 WeakPolarHBondContact O-CB 2.86Å; H1118-I1121 PolarHBondContact O-N 3.34Å; H1118-E1122 IonicContact CE1-OE1 3.11Å; H1118-E1122 PolarHBondContact CE1-OE1 3.37Å; H1118-E1122 IonicContact ND1-OE1 3.59Å; H1118-E1122 PolarHBondContact O-N 2.88Å |
| 1119 | E | 89.1 | Confident | 90.9 | Very high | 170 Ų | 170 | 55.4 Ų | 55.4 | 79% | 0.794 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -59.2 | -34.7 | 177.3 | -62.3 | -175.8 | 179.9 | 0 | 0 | 113.1 | V1117 I1121 L1123 | V1117-E1119 PolarHBondContact O-N 3.14Å; E1119-I1121 VanDerWaalsContact C-N 3.32Å; E1119-L1123 VanDerWaalsContact O-CB 3.29Å; E1119-L1123 WeakPolarHBondContact O-CB 3.45Å; E1119-L1123 PolarHBondContact O-N 2.91Å |
| 1120 | R | 90.2 | Very high | 90.9 | Very high | 45 Ų | 45 | 56.4 Ų | 56.4 | 17% | 0.17 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -73.9 | -24 | 176.2 | 178.5 | 171.4 | 166 | 160.1 | -8.1 | 112.1 | E479 F1083 R1084 V1117 H1118 L1124 | E479-R1120 IonicContact OE2-CZ 3.24Å; E479-R1120 VanDerWaalsContact OE2-CZ 3.24Å; E479-R1120 IonicContact OE2-NH1 2.78Å; E479-R1120 PolarHBondContact OE2-NH1 2.99Å; E479-R1120 IonicContact OE2-NH2 2.74Å; E479-R1120 PolarHBondContact OE2-NH2 3.33Å; F1083-R1120 HydrophobicContact CD1-CG 4.47Å; R1084-R1120 PolarHBondContact O-NH2 3.29Å; V1117-R1120 HydrophobicContact CB-CB 4.44Å; V1117-R1120 WeakPolarHBondContact O-CA 3.41Å; V1117-R1120 WeakPolarHBondContact O-CB 3.38Å; V1117-R1120 PolarHBondContact O-N 3.19Å; H1118-R1120 VanDerWaalsContact C-N 3.26Å; H1118-R1120 PolarHBondContact O-N 2.86Å; R1120-L1124 WeakPolarHBondContact O-CB 3.29Å; R1120-L1124 PolarHBondContact O-N 3.38Å |
| 1121 | I | 93 | Very high | 90.7 | Very high | 5 Ų | 5 | 59.4 Ų | 59.4 | 3% | 0.026 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -80.9 | -41.8 | 172.4 | -62.4 | 172.2 | 0 | 0 | 0 | 110.5 | A749 L750 A753 L1085 L1114 V1117 H1118 E1119 L1124 A1125 | A749-I1121 HydrophobicContact CB-CD1 4.12Å; L750-I1121 HydrophobicContact CD1-CG2 4.35Å; A753-I1121 HydrophobicContact CB-CG2 3.9Å; L1085-I1121 HydrophobicContact CD1-CG1 4.45Å; L1114-I1121 HydrophobicContact CD2-CD1 3.33Å; V1117-I1121 HydrophobicContact CG2-CD1 3.93Å; V1117-I1121 HydrophobicContact CG2-CG1 4.23Å; V1117-I1121 PolarHBondContact O-N 3.41Å; V1117-I1121 VanDerWaalsContact O-N 3.12Å; H1118-I1121 CarbonylContact O-C 3.47Å; H1118-I1121 WeakPolarHBondContact O-CA 3.45Å; H1118-I1121 WeakPolarHBondContact O-CB 2.86Å; H1118-I1121 PolarHBondContact O-N 3.34Å; E1119-I1121 VanDerWaalsContact C-N 3.32Å; I1121-L1124 PolarHBondContact O-N 3.13Å; I1121-A1125 VanDerWaalsContact O-CB 3.26Å; I1121-A1125 WeakPolarHBondContact O-CB 3.27Å; I1121-A1125 PolarHBondContact O-N 3.43Å |
| 1122 | E | 91.8 | Very high | 90.5 | Very high | 71 Ų | 71 | 60.7 Ų | 60.7 | 33% | 0.332 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 172.5 | -68.6 | -55.1 | 141.1 | 0 | 0 | 111.5 | A753 H1118 L1124 A1125 S1126 | A753-E1122 WeakPolarHBondContact CA-OE1 3.43Å; A753-E1122 WeakPolarHBondContact CB-OE1 3.13Å; H1118-E1122 IonicContact CE1-OE1 3.11Å; H1118-E1122 PolarHBondContact CE1-OE1 3.37Å; H1118-E1122 IonicContact ND1-OE1 3.59Å; H1118-E1122 PolarHBondContact O-N 2.88Å; E1122-L1124 VanDerWaalsContact C-N 3.35Å; E1122-L1124 PolarHBondContact O-N 3.25Å; E1122-A1125 PolarHBondContact O-N 3.14Å; E1122-S1126 WeakPolarHBondContact O-CB 3.27Å; E1122-S1126 PolarHBondContact O-N 3.15Å |
| 1123 | L | 90.6 | Very high | 90.4 | Very high | 88 Ų | 88 | 61.8 Ų | 61.8 | 46% | 0.461 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -57.7 | -47.2 | 172.8 | 179.8 | 61 | 0 | 0 | 0 | 111.3 | E1119 S1126 L1127 | E1119-L1123 VanDerWaalsContact O-CB 3.29Å; E1119-L1123 WeakPolarHBondContact O-CB 3.45Å; E1119-L1123 PolarHBondContact O-N 2.91Å; L1123-S1126 PolarHBondContact O-N 3.5Å; L1123-S1126 PolarHBondContact O-OG 2.96Å; L1123-L1127 WeakPolarHBondContact O-CB 3.29Å; L1123-L1127 PolarHBondContact O-N 3.49Å |
| 1124 | L | 92.6 | Very high | 90.2 | Very high | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 176.1 | 177.8 | 57.8 | 0 | 0 | 0 | 112.3 | L750 V1016 F1083 L1085 R1120 I1121 E1122 S1126 L1127 L1128 | L750-L1124 HydrophobicContact CD1-CD2 4.18Å; L750-L1124 HydrophobicContact CD1-CG 4.06Å; L750-L1124 HydrophobicContact CD2-CD2 4.37Å; V1016-L1124 HydrophobicContact CG1-CD2 4.09Å; V1016-L1124 HydrophobicContact CG2-CD1 3.65Å; V1016-L1124 HydrophobicContact CG2-CD2 4Å; V1016-L1124 HydrophobicContact CG2-CG 4.41Å; F1083-L1124 HydrophobicContact CB-CD1 4.43Å; F1083-L1124 HydrophobicContact CB-CD2 4.31Å; F1083-L1124 HydrophobicContact CD1-CB 4.04Å; F1083-L1124 HydrophobicContact CD1-CD1 4.11Å; F1083-L1124 HydrophobicContact CD1-CD2 4.28Å; F1083-L1124 HydrophobicContact CD1-CG 4.37Å; F1083-L1124 HydrophobicContact CD2-CD1 3.74Å; F1083-L1124 HydrophobicContact CE1-CB 3.88Å; F1083-L1124 HydrophobicContact CE1-CD1 4.27Å; F1083-L1124 HydrophobicContact CE2-CD1 3.91Å; F1083-L1124 HydrophobicContact CG-CD1 3.85Å; F1083-L1124 HydrophobicContact CG-CD2 4.32Å; F1083-L1124 HydrophobicContact CG-CG 4.49Å; F1083-L1124 HydrophobicContact CZ-CB 4.33Å; F1083-L1124 HydrophobicContact CZ-CD1 4.17Å; L1085-L1124 HydrophobicContact CD1-CD2 4.41Å; R1120-L1124 WeakPolarHBondContact O-CB 3.29Å; R1120-L1124 PolarHBondContact O-N 3.38Å; I1121-L1124 PolarHBondContact O-N 3.13Å; E1122-L1124 VanDerWaalsContact C-N 3.35Å; E1122-L1124 PolarHBondContact O-N 3.25Å; L1124-S1126 VanDerWaalsContact C-N 3.3Å; L1124-S1126 PolarHBondContact O-N 2.98Å; L1124-L1127 PolarHBondContact O-N 3.18Å; L1124-L1128 HydrophobicContact CD1-CD1 3.73Å; L1124-L1128 HydrophobicContact CD1-CD2 4.43Å; L1124-L1128 HydrophobicContact CD1-CG 3.85Å; L1124-L1128 HydrophobicContact CG-CD1 3.84Å; L1124-L1128 HydrophobicContact CG-CG 4.39Å; L1124-L1128 VanDerWaalsContact O-CG 3.31Å; L1124-L1128 WeakPolarHBondContact O-CG 3.28Å; L1124-L1128 PolarHBondContact O-N 3.08Å |
| 1125 | A | 93 | Very high | 90 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.6 | -37 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L750 A753 I1121 E1122 Q1129 | L750-A1125 HydrophobicContact CD1-CB 4.08Å; A753-A1125 HydrophobicContact CB-CB 3.78Å; I1121-A1125 VanDerWaalsContact O-CB 3.26Å; I1121-A1125 WeakPolarHBondContact O-CB 3.27Å; I1121-A1125 PolarHBondContact O-N 3.43Å; E1122-A1125 PolarHBondContact O-N 3.14Å; A1125-Q1129 WeakPolarHBondContact O-CG 3.38Å; A1125-Q1129 PolarHBondContact O-NE2 3.44Å |
| 1126 | S | 90.4 | Very high | 90.2 | Very high | 73 Ų | 73 | 62.3 Ų | 62.3 | 51% | 0.51 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -70.8 | -36.6 | 174 | 76.2 | 0 | 0 | 0 | 0 | 112.8 | E1122 L1123 L1124 | E1122-S1126 WeakPolarHBondContact O-CB 3.27Å; E1122-S1126 PolarHBondContact O-N 3.15Å; L1123-S1126 PolarHBondContact O-N 3.5Å; L1123-S1126 PolarHBondContact O-OG 2.96Å; L1124-S1126 VanDerWaalsContact C-N 3.3Å; L1124-S1126 PolarHBondContact O-N 2.98Å |
| 1127 | L | 87.8 | Confident | 90.3 | Very high | 56 Ų | 56 | 55.5 Ų | 55.5 | 29% | 0.293 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -75.9 | -24.4 | -176.5 | -173.2 | 147.3 | 0 | 0 | 0 | 113.4 | A1014 P1081 F1083 L1123 L1124 | A1014-L1127 HydrophobicContact CB-CD2 3.59Å; P1081-L1127 HydrophobicContact CB-CD1 4.16Å; P1081-L1127 HydrophobicContact CB-CD2 4.41Å; P1081-L1127 HydrophobicContact CG-CD1 4.18Å; F1083-L1127 HydrophobicContact CE2-CD1 4.24Å; F1083-L1127 HydrophobicContact CE2-CD2 4.37Å; F1083-L1127 HydrophobicContact CZ-CD1 4.34Å; L1123-L1127 WeakPolarHBondContact O-CB 3.29Å; L1123-L1127 PolarHBondContact O-N 3.49Å; L1124-L1127 PolarHBondContact O-N 3.18Å |
| 1128 | L | 89.6 | Confident | 90.3 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -3 | 177.4 | -70 | 172 | 0 | 0 | 0 | 114.4 | R729 L750 L761 F762 A1014 L1124 | R729-L1128 HydrophobicContact CB-CD2 3.97Å; R729-L1128 VanDerWaalsContact CD-O 3.3Å; R729-L1128 WeakPolarHBondContact CD-O 3.48Å; R729-L1128 HydrophobicContact CG-CD2 4.1Å; R729-L1128 PolarHBondContact NH1-O 3.16Å; L750-L1128 HydrophobicContact CD1-CD1 4.29Å; L750-L1128 HydrophobicContact CD2-CD1 3.99Å; L761-L1128 HydrophobicContact CB-CD1 4.43Å; L761-L1128 HydrophobicContact CD2-CB 4.2Å; F762-L1128 HydrophobicContact CD1-CD2 4.25Å; F762-L1128 HydrophobicContact CE1-CD1 3.88Å; F762-L1128 HydrophobicContact CE1-CD2 3.74Å; F762-L1128 HydrophobicContact CE2-CD1 4.21Å; F762-L1128 HydrophobicContact CZ-CD1 3.52Å; F762-L1128 HydrophobicContact CZ-CD2 4.27Å; A1014-L1128 HydrophobicContact CB-CD2 4.04Å; L1124-L1128 HydrophobicContact CD1-CD1 3.73Å; L1124-L1128 HydrophobicContact CD1-CD2 4.43Å; L1124-L1128 HydrophobicContact CD1-CG 3.85Å; L1124-L1128 HydrophobicContact CG-CD1 3.84Å; L1124-L1128 HydrophobicContact CG-CG 4.39Å; L1124-L1128 VanDerWaalsContact O-CG 3.31Å; L1124-L1128 WeakPolarHBondContact O-CG 3.28Å; L1124-L1128 PolarHBondContact O-N 3.08Å |
| 1129 | Q | 85.1 | Confident | 90.3 | Very high | 105 Ų | 105 | 55.8 Ų | 55.8 | 49% | 0.491 | 28% | 0.28 | S | S | . | . | trans | -99.1 | 0 | -170.5 | -76.9 | -172.9 | 72.2 | 0 | 0 | 115.8 | K756 L761 A1125 | K756-Q1129 HydrophobicContact CD-CG 3.99Å; K756-Q1129 VanDerWaalsContact CE-OE1 3.29Å; L761-Q1129 HydrophobicContact CD2-CG 4.35Å; A1125-Q1129 WeakPolarHBondContact O-CG 3.38Å; A1125-Q1129 PolarHBondContact O-NE2 3.44Å |
Retrieved 1,129 of 1,129 residues in 855.5 ms
(Link to these results)